USER MOD reduce.3.24.130724 H: found=0, std=0, add=1858, rem=0, adj=45 USER MOD reduce.3.24.130724 removed 0 hydrogens (0 hets) HEADER GLYCOPROTEIN 13-JUN-96 1HFY TITLE ALPHA-LACTALBUMIN COMPND MOL_ID: 1; COMPND 2 MOLECULE: ALPHA-LACTALBUMIN; COMPND 3 CHAIN: A, B; COMPND 4 EC: 2.4.1.22 SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: CAPRA HIRCUS; SOURCE 3 ORGANISM_COMMON: GOAT; SOURCE 4 ORGANISM_TAXID: 9925; SOURCE 5 SECRETION: MILK KEYWDS LACTOSE SYNTHASE COMPONENT, CALCIUM BINDING METALLOPROTEIN, KEYWDS 2 LACTOSE, GLYCOPROTEIN EXPDTA X-RAY DIFFRACTION AUTHOR A.C.W.PIKE,K.BREW,K.R.ACHARYA REVDAT 2 24-FEB-09 1HFY 1 VERSN REVDAT 1 07-JUL-97 1HFY 0 JRNL AUTH A.C.PIKE,K.BREW,K.R.ACHARYA JRNL TITL CRYSTAL STRUCTURES OF GUINEA-PIG, GOAT AND BOVINE JRNL TITL 2 ALPHA-LACTALBUMIN HIGHLIGHT THE ENHANCED JRNL TITL 3 CONFORMATIONAL FLEXIBILITY OF REGIONS THAT ARE JRNL TITL 4 SIGNIFICANT FOR ITS ACTION IN LACTOSE SYNTHASE. JRNL REF STRUCTURE V. 4 691 1996 JRNL REFN ISSN 0969-2126 JRNL PMID 8805552 JRNL DOI 10.1016/S0969-2126(96)00075-5 REMARK 1 REMARK 1 REFERENCE 1 REMARK 1 AUTH K.R.ACHARYA,J.S.REN,D.I.STUART,D.C.PHILLIPS, REMARK 1 AUTH 2 R.E.FENNA REMARK 1 TITL CRYSTAL STRUCTURE OF HUMAN ALPHA-LACTALBUMIN AT REMARK 1 TITL 2 1.7 A RESOLUTION REMARK 1 REF J.MOL.BIOL. V. 221 571 1991 REMARK 1 REFN ISSN 0022-2836 REMARK 1 REFERENCE 2 REMARK 1 AUTH K.R.ACHARYA,D.I.STUART,N.P.WALKER,M.LEWIS, REMARK 1 AUTH 2 D.C.PHILLIPS REMARK 1 TITL REFINED STRUCTURE OF BABOON ALPHA-LACTALBUMIN AT REMARK 1 TITL 2 1.7 A RESOLUTION. COMPARISON WITH C-TYPE LYSOZYME REMARK 1 REF J.MOL.BIOL. V. 208 99 1989 REMARK 1 REFN ISSN 0022-2836 REMARK 2 REMARK 2 RESOLUTION. 2.30 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : X-PLOR 3.1 REMARK 3 AUTHORS : BRUNGER REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 2.30 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 8.00 REMARK 3 DATA CUTOFF (SIGMA(F)) : 0.000 REMARK 3 DATA CUTOFF HIGH (ABS(F)) : NULL REMARK 3 DATA CUTOFF LOW (ABS(F)) : NULL REMARK 3 COMPLETENESS (WORKING+TEST) (%) : 90.8 REMARK 3 NUMBER OF REFLECTIONS : 10138 REMARK 3 REMARK 3 FIT TO DATA USED IN REFINEMENT. REMARK 3 CROSS-VALIDATION METHOD : NULL REMARK 3 FREE R VALUE TEST SET SELECTION : NULL REMARK 3 R VALUE (WORKING SET) : 0.195 REMARK 3 FREE R VALUE : 0.270 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 10.000 REMARK 3 FREE R VALUE TEST SET COUNT : 1031 REMARK 3 ESTIMATED ERROR OF FREE R VALUE : NULL REMARK 3 REMARK 3 FIT IN THE HIGHEST RESOLUTION BIN. REMARK 3 TOTAL NUMBER OF BINS USED : NULL REMARK 3 BIN RESOLUTION RANGE HIGH (A) : NULL REMARK 3 BIN RESOLUTION RANGE LOW (A) : NULL REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : NULL REMARK 3 REFLECTIONS IN BIN (WORKING SET) : NULL REMARK 3 BIN R VALUE (WORKING SET) : NULL REMARK 3 BIN FREE R VALUE : NULL REMARK 3 BIN FREE R VALUE TEST SET SIZE (%) : NULL REMARK 3 BIN FREE R VALUE TEST SET COUNT : NULL REMARK 3 ESTIMATED ERROR OF BIN FREE R VALUE : NULL REMARK 3 REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. REMARK 3 PROTEIN ATOMS : 1938 REMARK 3 NUCLEIC ACID ATOMS : 0 REMARK 3 HETEROGEN ATOMS : 2 REMARK 3 SOLVENT ATOMS : 68 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : NULL REMARK 3 MEAN B VALUE (OVERALL, A**2) : 19.62 REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : NULL REMARK 3 B22 (A**2) : NULL REMARK 3 B33 (A**2) : NULL REMARK 3 B12 (A**2) : NULL REMARK 3 B13 (A**2) : NULL REMARK 3 B23 (A**2) : NULL REMARK 3 REMARK 3 ESTIMATED COORDINATE ERROR. REMARK 3 ESD FROM LUZZATI PLOT (A) : NULL REMARK 3 ESD FROM SIGMAA (A) : 0.30 REMARK 3 LOW RESOLUTION CUTOFF (A) : 5.00 REMARK 3 REMARK 3 CROSS-VALIDATED ESTIMATED COORDINATE ERROR. REMARK 3 ESD FROM C-V LUZZATI PLOT (A) : NULL REMARK 3 ESD FROM C-V SIGMAA (A) : NULL REMARK 3 REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES. REMARK 3 BOND LENGTHS (A) : 0.011 REMARK 3 BOND ANGLES (DEGREES) : 1.64 REMARK 3 DIHEDRAL ANGLES (DEGREES) : 23.40 REMARK 3 IMPROPER ANGLES (DEGREES) : 1.41 REMARK 3 REMARK 3 ISOTROPIC THERMAL MODEL : NULL REMARK 3 REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS. RMS SIGMA REMARK 3 MAIN-CHAIN BOND (A**2) : 1.500 ; NULL REMARK 3 MAIN-CHAIN ANGLE (A**2) : 2.000 ; NULL REMARK 3 SIDE-CHAIN BOND (A**2) : 1.500 ; NULL REMARK 3 SIDE-CHAIN ANGLE (A**2) : 2.000 ; NULL REMARK 3 REMARK 3 NCS MODEL : NULL REMARK 3 REMARK 3 NCS RESTRAINTS. RMS SIGMA/WEIGHT REMARK 3 GROUP 1 POSITIONAL (A) : NULL ; NULL REMARK 3 GROUP 1 B-FACTOR (A**2) : NULL ; NULL REMARK 3 REMARK 3 PARAMETER FILE 1 : PARHCSDX.PRO REMARK 3 PARAMETER FILE 2 : NULL REMARK 3 PARAMETER FILE 3 : NULL REMARK 3 TOPOLOGY FILE 1 : TOPHCSDX.PRO REMARK 3 TOPOLOGY FILE 2 : NULL REMARK 3 TOPOLOGY FILE 3 : NULL REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 1HFY COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY BNL. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : 01-MAY-94 REMARK 200 TEMPERATURE (KELVIN) : 298 REMARK 200 PH : 4.5 REMARK 200 NUMBER OF CRYSTALS USED : 4 REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : N REMARK 200 RADIATION SOURCE : NULL REMARK 200 BEAMLINE : NULL REMARK 200 X-RAY GENERATOR MODEL : NULL REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M REMARK 200 WAVELENGTH OR RANGE (A) : 1.5418 REMARK 200 MONOCHROMATOR : NULL REMARK 200 OPTICS : NULL REMARK 200 REMARK 200 DETECTOR TYPE : NULL REMARK 200 DETECTOR MANUFACTURER : SIEMENS REMARK 200 INTENSITY-INTEGRATION SOFTWARE : XDS REMARK 200 DATA SCALING SOFTWARE : XSCALE REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 10415 REMARK 200 RESOLUTION RANGE HIGH (A) : 2.300 REMARK 200 RESOLUTION RANGE LOW (A) : 32.200 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : 0.000 REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 90.5 REMARK 200 DATA REDUNDANCY : 2.600 REMARK 200 R MERGE (I) : 0.09600 REMARK 200 R SYM (I) : NULL REMARK 200 FOR THE DATA SET : NULL REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : NULL REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : NULL REMARK 200 COMPLETENESS FOR SHELL (%) : NULL REMARK 200 DATA REDUNDANCY IN SHELL : NULL REMARK 200 R MERGE FOR SHELL (I) : NULL REMARK 200 R SYM FOR SHELL (I) : NULL REMARK 200 FOR SHELL : NULL REMARK 200 REMARK 200 DIFFRACTION PROTOCOL: NULL REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT REMARK 200 SOFTWARE USED: X-PLOR 3.1 REMARK 200 STARTING MODEL: HUMAN ALPHA-LACTALBUMIN REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 46.00 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.30 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: 0.2M AMMONIUM SULFATE, 20-25% (W/V) REMARK 280 PEG 4000, 0.1M SODIUM ACETATE PH4.5, 20MG/ML PROTEIN 16 REMARK 280 DEGREES C, TEMPERATURE 289K REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 1 21 1 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 -X,Y+1/2,-Z REMARK 290 REMARK 290 WHERE NNN -> OPERATOR NUMBER REMARK 290 MMM -> TRANSLATION VECTOR REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY REMARK 290 RELATED MOLECULES. REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 2 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 2 0.000000 1.000000 0.000000 44.85000 REMARK 290 SMTRY3 2 0.000000 0.000000 -1.000000 0.00000 REMARK 290 REMARK 290 REMARK: NULL REMARK 300 REMARK 300 BIOMOLECULE: 1 REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON REMARK 300 BURIED SURFACE AREA. REMARK 350 REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. REMARK 350 REMARK 350 BIOMOLECULE: 1 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: DIMERIC REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, B REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 465 REMARK 465 MISSING RESIDUES REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE REMARK 465 EXPERIMENT. (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 465 IDENTIFIER; SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.) REMARK 465 REMARK 465 M RES C SSSEQI REMARK 465 GLU A 121 REMARK 465 LYS A 122 REMARK 465 LEU A 123 REMARK 465 GLU B 121 REMARK 465 LYS B 122 REMARK 465 LEU B 123 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 59 -33.90 -138.73 REMARK 500 GLN B 54 65.12 38.10 REMARK 500 ASP B 82 -168.27 -112.30 REMARK 500 REMARK 500 REMARK: NULL REMARK 525 REMARK 525 SOLVENT REMARK 525 REMARK 525 THE SOLVENT MOLECULES HAVE CHAIN IDENTIFIERS THAT REMARK 525 INDICATE THE POLYMER CHAIN WITH WHICH THEY ARE MOST REMARK 525 CLOSELY ASSOCIATED. THE REMARK LISTS ALL THE SOLVENT REMARK 525 MOLECULES WHICH ARE MORE THAN 5A AWAY FROM THE REMARK 525 NEAREST POLYMER CHAIN (M = MODEL NUMBER; REMARK 525 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE REMARK 525 NUMBER; I=INSERTION CODE): REMARK 525 REMARK 525 M RES CSSEQI REMARK 525 HOH A 145 DISTANCE = 6.80 ANGSTROMS REMARK 525 HOH A 146 DISTANCE = 7.34 ANGSTROMS REMARK 525 HOH A 147 DISTANCE = 8.70 ANGSTROMS REMARK 525 HOH B 152 DISTANCE = 5.93 ANGSTROMS REMARK 525 HOH B 153 DISTANCE = 7.30 ANGSTROMS REMARK 525 HOH B 154 DISTANCE = 10.22 ANGSTROMS REMARK 620 REMARK 620 METAL COORDINATION REMARK 620 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 620 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE): REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 CA A 124 CA REMARK 620 N RES CSSEQI ATOM REMARK 620 1 LYS A 79 O REMARK 620 2 ASP A 84 O 168.2 REMARK 620 3 ASP A 82 OD1 87.7 82.5 REMARK 620 4 ASP A 87 OD1 94.4 89.3 141.4 REMARK 620 5 ASP A 88 OD1 104.3 87.4 139.5 77.1 REMARK 620 N 1 2 3 4 REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 CA B 124 CA REMARK 620 N RES CSSEQI ATOM REMARK 620 1 LYS B 79 O REMARK 620 2 ASP B 84 O 166.3 REMARK 620 3 ASP B 82 OD1 84.4 81.9 REMARK 620 4 ASP B 88 OD1 103.9 86.6 140.0 REMARK 620 5 ASP B 87 OD1 95.8 95.9 147.6 71.5 REMARK 620 N 1 2 3 4 REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: AC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CA A 124 REMARK 800 SITE_IDENTIFIER: AC2 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CA B 124 DBREF 1HFY A 1 123 UNP P00712 LALBA_CAPHI 20 142 DBREF 1HFY B 1 123 UNP P00712 LALBA_CAPHI 20 142 SEQRES 1 A 123 GLU GLN LEU THR LYS CYS GLU VAL PHE GLN LYS LEU LYS SEQRES 2 A 123 ASP LEU LYS ASP TYR GLY GLY VAL SER LEU PRO GLU TRP SEQRES 3 A 123 VAL CYS THR ALA PHE HIS THR SER GLY TYR ASP THR GLN SEQRES 4 A 123 ALA ILE VAL GLN ASN ASN ASP SER THR GLU TYR GLY LEU SEQRES 5 A 123 PHE GLN ILE ASN ASN LYS ILE TRP CYS LYS ASP ASP GLN SEQRES 6 A 123 ASN PRO HIS SER ARG ASN ILE CYS ASN ILE SER CYS ASP SEQRES 7 A 123 LYS PHE LEU ASP ASP ASP LEU THR ASP ASP ILE VAL CYS SEQRES 8 A 123 ALA LYS LYS ILE LEU ASP LYS VAL GLY ILE ASN TYR TRP SEQRES 9 A 123 LEU ALA HIS LYS ALA LEU CYS SER GLU LYS LEU ASP GLN SEQRES 10 A 123 TRP LEU CYS GLU LYS LEU SEQRES 1 B 123 GLU GLN LEU THR LYS CYS GLU VAL PHE GLN LYS LEU LYS SEQRES 2 B 123 ASP LEU LYS ASP TYR GLY GLY VAL SER LEU PRO GLU TRP SEQRES 3 B 123 VAL CYS THR ALA PHE HIS THR SER GLY TYR ASP THR GLN SEQRES 4 B 123 ALA ILE VAL GLN ASN ASN ASP SER THR GLU TYR GLY LEU SEQRES 5 B 123 PHE GLN ILE ASN ASN LYS ILE TRP CYS LYS ASP ASP GLN SEQRES 6 B 123 ASN PRO HIS SER ARG ASN ILE CYS ASN ILE SER CYS ASP SEQRES 7 B 123 LYS PHE LEU ASP ASP ASP LEU THR ASP ASP ILE VAL CYS SEQRES 8 B 123 ALA LYS LYS ILE LEU ASP LYS VAL GLY ILE ASN TYR TRP SEQRES 9 B 123 LEU ALA HIS LYS ALA LEU CYS SER GLU LYS LEU ASP GLN SEQRES 10 B 123 TRP LEU CYS GLU LYS LEU HET CA A 124 1 HET CA B 124 1 HETNAM CA CALCIUM ION FORMUL 3 CA 2(CA 2+) FORMUL 5 HOH *68(H2 O) HELIX 1 1 LYS A 5 LYS A 11 1 7 HELIX 2 2 LYS A 13 LEU A 15 5 3 HELIX 3 3 TYR A 18 GLY A 20 5 3 HELIX 4 4 LEU A 23 SER A 34 1 12 HELIX 5 5 CYS A 77 PHE A 80 5 4 HELIX 6 6 THR A 86 VAL A 99 1 14 HELIX 7 7 ILE A 101 TYR A 103 5 3 HELIX 8 8 LYS A 108 CYS A 111 5 4 HELIX 9 9 LEU A 115 TRP A 118 5 4 HELIX 10 10 LYS B 5 LYS B 11 1 7 HELIX 11 11 LYS B 13 LEU B 15 5 3 HELIX 12 12 TYR B 18 GLY B 20 5 3 HELIX 13 13 LEU B 23 SER B 34 1 12 HELIX 14 14 CYS B 77 LEU B 81 5 5 HELIX 15 15 THR B 86 LYS B 98 1 13 HELIX 16 16 ILE B 101 TYR B 103 5 3 HELIX 17 17 LYS B 108 CYS B 111 5 4 HELIX 18 18 LEU B 115 TRP B 118 5 4 SHEET 1 A 2 ILE A 41 GLN A 43 0 SHEET 2 A 2 THR A 48 TYR A 50 -1 N GLU A 49 O VAL A 42 SHEET 1 B 2 ILE B 41 GLN B 43 0 SHEET 2 B 2 THR B 48 TYR B 50 -1 N GLU B 49 O VAL B 42 SSBOND *** CYS A 6 CYS A 120 1555 1555 2.03 SSBOND *** CYS A 28 CYS A 111 1555 1555 2.04 SSBOND *** CYS A 61 CYS A 77 1555 1555 2.02 SSBOND *** CYS A 73 CYS A 91 1555 1555 2.04 SSBOND *** CYS B 6 CYS B 120 1555 1555 2.03 SSBOND *** CYS B 28 CYS B 111 1555 1555 2.02 SSBOND *** CYS B 61 CYS B 77 1555 1555 2.03 SSBOND *** CYS B 73 CYS B 91 1555 1555 2.03 LINK CA CA A 124 O LYS A 79 1555 1555 2.30 LINK CA CA A 124 O ASP A 84 1555 1555 2.28 LINK CA CA B 124 O LYS B 79 1555 1555 2.39 LINK CA CA B 124 O ASP B 84 1555 1555 2.20 LINK CA CA A 124 OD1 ASP A 82 1555 1555 2.51 LINK CA CA A 124 OD1 ASP A 87 1555 1555 2.41 LINK CA CA A 124 OD1 ASP A 88 1555 1555 2.47 LINK CA CA B 124 OD1 ASP B 82 1555 1555 2.50 LINK CA CA B 124 OD1 ASP B 88 1555 1555 2.48 LINK CA CA B 124 OD1 ASP B 87 1555 1555 2.41 SITE *** AC1 5 LYS A 79 ASP A 82 ASP A 84 ASP A 87 SITE *** AC1 5 ASP A 88 SITE *** AC2 5 LYS B 79 ASP B 82 ASP B 84 ASP B 87 SITE *** AC2 5 ASP B 88 CRYST1 32.500 89.700 45.200 90.00 94.50 90.00 P 1 21 1 4 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 0.030769 0.000000 0.002422 0.00000 SCALE2 0.000000 0.011148 0.000000 0.00000 SCALE3 0.000000 0.000000 0.022192 0.00000 MTRIX1 1 0.982610 0.078210 0.168430 -2.40607 1 MTRIX2 1 0.076020 -0.996920 0.019420 22.05905 1 MTRIX3 1 0.169430 -0.006280 -0.985520 19.52965 1 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 48 THR OG1 : rot 79:sc= 0.61 USER MOD Set 1.2: B 65 GLN :FLIP amide:sc= 0.51 F(o=-1.9,f=1.1) USER MOD Set 2.1: B 10 GLN : amide:sc= 0.048 K(o=0.15,f=-2.8) USER MOD Set 2.2: B 13 LYS NZ :NH3+ -148:sc= 0.104 (180deg=-0.0132) USER MOD Set 3.1: B 1 GLU N :NH3+ 147:sc= 0.32 (180deg=0) USER MOD Set 3.2: B 38 THR OG1 : rot 180:sc= 0.223 USER MOD Set 3.3: B 39 GLN : amide:sc= 0 X(o=0.54,f=0.21) USER MOD Set 4.1: A 56 ASN : amide:sc= -1.44 K(o=-0.5,f=-3.6!) USER MOD Set 4.2: A 103 TYR OH : rot -167:sc= 0.942 USER MOD Set 5.1: A 48 THR OG1 : rot 103:sc= 1.28 USER MOD Set 5.2: A 65 GLN : amide:sc= 0.323 X(o=1.6,f=1.2) USER MOD Set 6.1: A 44 ASN : amide:sc= 0.265 X(o=0.27,f=0) USER MOD Set 6.2: A 47 SER OG : rot 180:sc= 0 USER MOD Set 7.1: A 43 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Set 7.2: B 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 8.1: A 1 GLU N :NH3+ -146:sc= 0.524 (180deg=0) USER MOD Set 8.2: A 38 THR OG1 : rot -70:sc= 0.393 USER MOD Set 8.3: A 39 GLN : amide:sc= 0.338 K(o=1.3,f=-4.7!) USER MOD Single : A 2 GLN : amide:sc= 0.0293 X(o=0.029,f=0) USER MOD Single : A 4 THR OG1 : rot -83:sc= -0.437 USER MOD Single : A 5 LYS NZ :NH3+ -160:sc= 0.269 (180deg=0.158) USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 LYS NZ :NH3+ -120:sc= -0.234 (180deg=-2!) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 TYR OH : rot 175:sc= 0.447 USER MOD Single : A 22 SER OG : rot 180:sc= 0.00713 USER MOD Single : A 29 THR OG1 : rot 75:sc= 0.663 USER MOD Single : A 32 HIS : no HD1:sc= 0.131 K(o=0.13,f=-1) USER MOD Single : A 33 THR OG1 : rot 90:sc= 1.22 USER MOD Single : A 34 SER OG : rot -108:sc= 0.00273 USER MOD Single : A 36 TYR OH : rot 16:sc= 0.16 USER MOD Single : A 45 ASN : amide:sc= -1.27 K(o=-1.3,f=-5.2!) USER MOD Single : A 50 TYR OH : rot 96:sc= 1.23 USER MOD Single : A 54 GLN : amide:sc= 1.03 K(o=1,f=-0.75) USER MOD Single : A 57 ASN : amide:sc= -1.1 K(o=-1.1,f=-4.7) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 ASN : amide:sc= -0.316 K(o=-0.32,f=-2.6!) USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 69 SER OG : rot 176:sc= 0.46 USER MOD Single : A 71 ASN : amide:sc= -1.14 K(o=-1.1,f=-5.1!) USER MOD Single : A 74 ASN : amide:sc= -0.535 X(o=-0.53,f=-0.17) USER MOD Single : A 76 SER OG : rot 112:sc= 0.192 USER MOD Single : A 79 LYS NZ :NH3+ -163:sc= 0 (180deg=-0.347) USER MOD Single : A 86 THR OG1 : rot 89:sc= 1.33 USER MOD Single : A 93 LYS NZ :NH3+ -145:sc= 0.14 (180deg=0.00102) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 ASN : amide:sc= 0.498 K(o=0.5,f=-0.27) USER MOD Single : A 107 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 108 LYS NZ :NH3+ 156:sc= 0.658 (180deg=0.21) USER MOD Single : A 112 SER OG : rot 131:sc= -4.12! USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 GLN : amide:sc= 0.416 K(o=0.42,f=-3.7!) USER MOD Single : B 2 GLN : amide:sc= 1.05 X(o=1.1,f=0.57) USER MOD Single : B 4 THR OG1 : rot 180:sc= -0.0239 USER MOD Single : B 5 LYS NZ :NH3+ 139:sc= 0.147 (180deg=0) USER MOD Single : B 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 18 TYR OH : rot 38:sc= 0.273 USER MOD Single : B 22 SER OG : rot 180:sc= -0.987 USER MOD Single : B 29 THR OG1 : rot 82:sc= 1.06 USER MOD Single : B 32 HIS : no HE2:sc= 0.24 K(o=0.24,f=-2.4!) USER MOD Single : B 33 THR OG1 : rot 86:sc= 0.837 USER MOD Single : B 34 SER OG : rot -107:sc= 0.308 USER MOD Single : B 36 TYR OH : rot 15:sc= 0.446 USER MOD Single : B 43 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 44 ASN : amide:sc= -0.244 X(o=-0.24,f=0) USER MOD Single : B 45 ASN : amide:sc= -0.101 K(o=-0.1,f=-1.3!) USER MOD Single : B 47 SER OG : rot 180:sc= 0 USER MOD Single : B 50 TYR OH : rot 34:sc= 1.33 USER MOD Single : B 54 GLN : amide:sc= 0.525 K(o=0.53,f=-1.1) USER MOD Single : B 56 ASN : amide:sc= -1.14 K(o=-1.1,f=-8.1!) USER MOD Single : B 57 ASN : amide:sc= -1.71! C(o=-1.7!,f=-4.7!) USER MOD Single : B 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 66 ASN : amide:sc= 0.051 K(o=0.051,f=-5.1!) USER MOD Single : B 68 HIS : no HD1:sc= -1.2 K(o=-1.2,f=-3.2!) USER MOD Single : B 69 SER OG : rot -159:sc= 1.26 USER MOD Single : B 71 ASN : amide:sc= -0.976 K(o=-0.98,f=-4.7!) USER MOD Single : B 74 ASN : amide:sc= -0.0807 X(o=-0.081,f=-0.56) USER MOD Single : B 76 SER OG : rot 180:sc= 0 USER MOD Single : B 79 LYS NZ :NH3+ -157:sc= -0.222 (180deg=-0.586) USER MOD Single : B 86 THR OG1 : rot 92:sc= 0.888 USER MOD Single : B 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 98 LYS NZ :NH3+ 157:sc= -0.151 (180deg=-0.758) USER MOD Single : B 102 ASN : amide:sc= 0.832 K(o=0.83,f=-0.074) USER MOD Single : B 103 TYR OH : rot -161:sc= 1.18 USER MOD Single : B 107 HIS : no HD1:sc= -0.0456 X(o=-0.046,f=-0.046) USER MOD Single : B 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 112 SER OG : rot 158:sc= -1.79! USER MOD Single : B 117 GLN : amide:sc= -0.661 K(o=-0.66,f=-4.3!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 -2.725 5.246 3.727 1.00 36.59 N ATOM 2 CA GLU A 1 -3.580 5.477 4.922 1.00 37.21 C ATOM 3 C GLU A 1 -2.677 5.952 6.055 1.00 36.79 C ATOM 4 O GLU A 1 -1.619 5.360 6.293 1.00 35.84 O ATOM 5 CB GLU A 1 -4.268 4.167 5.309 1.00 40.96 C ATOM 6 CG GLU A 1 -5.103 4.201 6.586 1.00 47.88 C ATOM 7 CD GLU A 1 -5.593 2.809 7.006 1.00 53.72 C ATOM 8 OE1 GLU A 1 -4.754 1.888 7.150 1.00 55.50 O ATOM 9 OE2 GLU A 1 -6.822 2.634 7.196 1.00 56.30 O ATOM 0 H1 GLU A 1 -3.181 5.452 2.991 1.00 36.59 H new ATOM 0 H2 GLU A 1 -1.999 5.758 3.778 1.00 36.59 H new ATOM 0 H3 GLU A 1 -2.483 4.390 3.696 1.00 36.59 H new ATOM 0 HA GLU A 1 -4.262 6.142 4.739 1.00 37.21 H new ATOM 0 HB2 GLU A 1 -4.842 3.895 4.576 1.00 40.96 H new ATOM 0 HB3 GLU A 1 -3.588 3.482 5.406 1.00 40.96 H new ATOM 0 HG2 GLU A 1 -4.575 4.585 7.304 1.00 47.88 H new ATOM 0 HG3 GLU A 1 -5.867 4.783 6.453 1.00 47.88 H new ATOM 10 N GLN A 2 -3.042 7.065 6.685 1.00 35.36 N ATOM 11 CA GLN A 2 -2.267 7.598 7.796 1.00 33.17 C ATOM 12 C GLN A 2 -2.798 6.888 9.011 1.00 30.82 C ATOM 13 O GLN A 2 -3.968 7.023 9.322 1.00 34.15 O ATOM 14 CB GLN A 2 -2.484 9.105 7.961 1.00 33.88 C ATOM 15 CG GLN A 2 -1.714 9.968 6.966 1.00 40.11 C ATOM 16 CD GLN A 2 -1.919 11.478 7.167 1.00 41.73 C ATOM 17 OE1 GLN A 2 -3.054 11.986 7.119 1.00 41.10 O ATOM 18 NE2 GLN A 2 -0.819 12.199 7.387 1.00 38.42 N ATOM 0 H GLN A 2 -3.738 7.527 6.482 1.00 35.36 H new ATOM 0 HA GLN A 2 -1.317 7.463 7.655 1.00 33.17 H new ATOM 0 HB2 GLN A 2 -3.431 9.296 7.872 1.00 33.88 H new ATOM 0 HB3 GLN A 2 -2.227 9.361 8.861 1.00 33.88 H new ATOM 0 HG2 GLN A 2 -0.768 9.766 7.039 1.00 40.11 H new ATOM 0 HG3 GLN A 2 -1.986 9.730 6.066 1.00 40.11 H new ATOM 0 HE21 GLN A 2 -0.051 11.814 7.414 1.00 38.42 H new ATOM 0 HE22 GLN A 2 -0.878 13.049 7.502 1.00 38.42 H new ATOM 19 N LEU A 3 -1.965 6.087 9.657 1.00 27.37 N ATOM 20 CA LEU A 3 -2.378 5.346 10.840 1.00 22.76 C ATOM 21 C LEU A 3 -2.126 6.161 12.103 1.00 21.65 C ATOM 22 O LEU A 3 -1.408 7.155 12.075 1.00 24.22 O ATOM 23 CB LEU A 3 -1.617 4.014 10.928 1.00 19.95 C ATOM 24 CG LEU A 3 -1.799 2.976 9.821 1.00 12.09 C ATOM 25 CD1 LEU A 3 -0.865 1.795 10.001 1.00 14.84 C ATOM 26 CD2 LEU A 3 -3.206 2.526 9.796 1.00 12.70 C ATOM 0 H LEU A 3 -1.147 5.957 9.424 1.00 27.37 H new ATOM 0 HA LEU A 3 -3.329 5.168 10.766 1.00 22.76 H new ATOM 0 HB2 LEU A 3 -0.671 4.221 10.981 1.00 19.95 H new ATOM 0 HB3 LEU A 3 -1.862 3.593 11.766 1.00 19.95 H new ATOM 0 HG LEU A 3 -1.576 3.391 8.973 1.00 12.09 H new ATOM 0 HD11 LEU A 3 -1.007 1.158 9.284 1.00 14.84 H new ATOM 0 HD12 LEU A 3 0.054 2.103 9.982 1.00 14.84 H new ATOM 0 HD13 LEU A 3 -1.044 1.367 10.853 1.00 14.84 H new ATOM 0 HD21 LEU A 3 -3.323 1.867 9.094 1.00 12.70 H new ATOM 0 HD22 LEU A 3 -3.435 2.130 10.652 1.00 12.70 H new ATOM 0 HD23 LEU A 3 -3.786 3.285 9.626 1.00 12.70 H new ATOM 27 N THR A 4 -2.745 5.750 13.203 1.00 20.56 N ATOM 28 CA THR A 4 -2.570 6.407 14.498 1.00 18.85 C ATOM 29 C THR A 4 -1.573 5.557 15.270 1.00 18.65 C ATOM 30 O THR A 4 -1.355 4.393 14.922 1.00 20.76 O ATOM 31 CB THR A 4 -3.890 6.478 15.292 1.00 19.96 C ATOM 32 OG1 THR A 4 -4.497 5.187 15.299 1.00 24.11 O ATOM 33 CG2 THR A 4 -4.869 7.473 14.663 1.00 17.45 C ATOM 0 H THR A 4 -3.282 5.079 13.222 1.00 20.56 H new ATOM 0 HA THR A 4 -2.267 7.319 14.368 1.00 18.85 H new ATOM 0 HB THR A 4 -3.686 6.773 16.193 1.00 19.96 H new ATOM 0 HG1 THR A 4 -4.932 5.078 14.588 1.00 24.11 H new ATOM 0 HG21 THR A 4 -5.687 7.495 15.183 1.00 17.45 H new ATOM 0 HG22 THR A 4 -4.470 8.357 14.651 1.00 17.45 H new ATOM 0 HG23 THR A 4 -5.071 7.198 13.755 1.00 17.45 H new ATOM 34 N LYS A 5 -0.981 6.112 16.320 1.00 15.94 N ATOM 35 CA LYS A 5 0.002 5.378 17.081 1.00 13.17 C ATOM 36 C LYS A 5 -0.520 4.027 17.529 1.00 17.59 C ATOM 37 O LYS A 5 0.160 3.009 17.399 1.00 18.53 O ATOM 38 CB LYS A 5 0.439 6.159 18.315 1.00 12.30 C ATOM 39 CG LYS A 5 1.518 5.429 19.090 1.00 15.50 C ATOM 40 CD LYS A 5 1.957 6.166 20.312 1.00 12.27 C ATOM 41 CE LYS A 5 0.855 6.174 21.308 1.00 16.51 C ATOM 42 NZ LYS A 5 1.284 6.938 22.517 1.00 27.31 N ATOM 0 H LYS A 5 -1.137 6.909 16.603 1.00 15.94 H new ATOM 0 HA LYS A 5 0.759 5.245 16.489 1.00 13.17 H new ATOM 0 HB2 LYS A 5 0.768 7.031 18.046 1.00 12.30 H new ATOM 0 HB3 LYS A 5 -0.327 6.310 18.891 1.00 12.30 H new ATOM 0 HG2 LYS A 5 1.189 4.554 19.347 1.00 15.50 H new ATOM 0 HG3 LYS A 5 2.284 5.286 18.512 1.00 15.50 H new ATOM 0 HD2 LYS A 5 2.745 5.745 20.690 1.00 12.27 H new ATOM 0 HD3 LYS A 5 2.205 7.075 20.082 1.00 12.27 H new ATOM 0 HE2 LYS A 5 0.061 6.577 20.923 1.00 16.51 H new ATOM 0 HE3 LYS A 5 0.621 5.265 21.554 1.00 16.51 H new ATOM 0 HZ1 LYS A 5 0.772 6.711 23.209 1.00 27.31 H new ATOM 0 HZ2 LYS A 5 2.134 6.749 22.702 1.00 27.31 H new ATOM 0 HZ3 LYS A 5 1.202 7.810 22.362 1.00 27.31 H new ATOM 43 N CYS A 6 -1.744 4.025 18.037 1.00 20.47 N ATOM 44 CA CYS A 6 -2.366 2.807 18.546 1.00 23.55 C ATOM 45 C CYS A 6 -2.688 1.744 17.514 1.00 22.94 C ATOM 46 O CYS A 6 -2.535 0.556 17.785 1.00 20.74 O ATOM 47 CB CYS A 6 -3.583 3.163 19.396 1.00 30.90 C ATOM 48 SG CYS A 6 -3.098 3.640 21.092 1.00 35.05 S ATOM 0 H CYS A 6 -2.238 4.726 18.097 1.00 20.47 H new ATOM 0 HA CYS A 6 -1.689 2.381 19.095 1.00 23.55 H new ATOM 0 HB2 CYS A 6 -4.068 3.893 18.980 1.00 30.90 H new ATOM 0 HB3 CYS A 6 -4.187 2.405 19.432 1.00 30.90 H new ATOM 49 N GLU A 7 -3.109 2.180 16.328 1.00 22.92 N ATOM 50 CA GLU A 7 -3.399 1.268 15.238 1.00 20.64 C ATOM 51 C GLU A 7 -2.106 0.595 14.816 1.00 20.36 C ATOM 52 O GLU A 7 -2.103 -0.600 14.557 1.00 23.34 O ATOM 53 CB GLU A 7 -3.956 2.026 14.058 1.00 21.72 C ATOM 54 CG GLU A 7 -5.361 2.517 14.249 1.00 24.96 C ATOM 55 CD GLU A 7 -5.868 3.202 13.012 1.00 26.44 C ATOM 56 OE1 GLU A 7 -6.365 2.512 12.096 1.00 37.21 O ATOM 57 OE2 GLU A 7 -5.749 4.430 12.932 1.00 29.30 O ATOM 0 H GLU A 7 -3.232 3.010 16.138 1.00 22.92 H new ATOM 0 HA GLU A 7 -4.050 0.612 15.532 1.00 20.64 H new ATOM 0 HB2 GLU A 7 -3.381 2.785 13.874 1.00 21.72 H new ATOM 0 HB3 GLU A 7 -3.928 1.453 13.276 1.00 21.72 H new ATOM 0 HG2 GLU A 7 -5.940 1.771 14.469 1.00 24.96 H new ATOM 0 HG3 GLU A 7 -5.393 3.132 14.999 1.00 24.96 H new ATOM 58 N VAL A 8 -1.031 1.382 14.711 1.00 17.48 N ATOM 59 CA VAL A 8 0.296 0.903 14.339 1.00 15.89 C ATOM 60 C VAL A 8 0.786 -0.079 15.407 1.00 16.27 C ATOM 61 O VAL A 8 1.367 -1.120 15.101 1.00 16.70 O ATOM 62 CB VAL A 8 1.300 2.094 14.197 1.00 17.19 C ATOM 63 CG1 VAL A 8 2.740 1.591 13.968 1.00 11.87 C ATOM 64 CG2 VAL A 8 0.875 2.968 13.046 1.00 14.90 C ATOM 0 H VAL A 8 -1.058 2.229 14.858 1.00 17.48 H new ATOM 0 HA VAL A 8 0.244 0.456 13.480 1.00 15.89 H new ATOM 0 HB VAL A 8 1.290 2.604 15.022 1.00 17.19 H new ATOM 0 HG11 VAL A 8 3.338 2.350 13.884 1.00 11.87 H new ATOM 0 HG12 VAL A 8 3.015 1.044 14.720 1.00 11.87 H new ATOM 0 HG13 VAL A 8 2.773 1.062 13.155 1.00 11.87 H new ATOM 0 HG21 VAL A 8 1.496 3.708 12.955 1.00 14.90 H new ATOM 0 HG22 VAL A 8 0.871 2.447 12.228 1.00 14.90 H new ATOM 0 HG23 VAL A 8 -0.016 3.313 13.213 1.00 14.90 H new ATOM 65 N PHE A 9 0.529 0.244 16.665 1.00 17.31 N ATOM 66 CA PHE A 9 0.899 -0.627 17.776 1.00 17.97 C ATOM 67 C PHE A 9 0.270 -2.024 17.581 1.00 17.51 C ATOM 68 O PHE A 9 0.948 -3.040 17.684 1.00 16.99 O ATOM 69 CB PHE A 9 0.425 0.001 19.092 1.00 17.99 C ATOM 70 CG PHE A 9 0.916 -0.711 20.317 1.00 20.74 C ATOM 71 CD1 PHE A 9 2.135 -0.367 20.887 1.00 19.44 C ATOM 72 CD2 PHE A 9 0.158 -1.741 20.894 1.00 22.42 C ATOM 73 CE1 PHE A 9 2.607 -1.036 22.021 1.00 22.81 C ATOM 74 CE2 PHE A 9 0.614 -2.419 22.027 1.00 20.75 C ATOM 75 CZ PHE A 9 1.846 -2.067 22.594 1.00 20.65 C ATOM 0 H PHE A 9 0.136 0.972 16.902 1.00 17.31 H new ATOM 0 HA PHE A 9 1.863 -0.728 17.805 1.00 17.97 H new ATOM 0 HB2 PHE A 9 0.721 0.924 19.125 1.00 17.99 H new ATOM 0 HB3 PHE A 9 -0.545 0.014 19.103 1.00 17.99 H new ATOM 0 HD1 PHE A 9 2.643 0.315 20.511 1.00 19.44 H new ATOM 0 HD2 PHE A 9 -0.659 -1.976 20.517 1.00 22.42 H new ATOM 0 HE1 PHE A 9 3.424 -0.798 22.395 1.00 22.81 H new ATOM 0 HE2 PHE A 9 0.103 -3.099 22.402 1.00 20.75 H new ATOM 0 HZ PHE A 9 2.158 -2.515 23.347 1.00 20.65 H new ATOM 76 N GLN A 10 -1.026 -2.063 17.290 1.00 18.63 N ATOM 77 CA GLN A 10 -1.724 -3.330 17.062 1.00 21.54 C ATOM 78 C GLN A 10 -1.119 -4.080 15.881 1.00 20.69 C ATOM 79 O GLN A 10 -0.670 -5.208 16.010 1.00 21.74 O ATOM 80 CB GLN A 10 -3.208 -3.082 16.800 1.00 24.35 C ATOM 81 CG GLN A 10 -3.960 -2.549 18.020 1.00 37.07 C ATOM 82 CD GLN A 10 -5.454 -2.269 17.756 1.00 43.22 C ATOM 83 OE1 GLN A 10 -5.844 -1.125 17.484 1.00 47.34 O ATOM 84 NE2 GLN A 10 -6.293 -3.311 17.862 1.00 42.13 N ATOM 0 H GLN A 10 -1.524 -1.365 17.219 1.00 18.63 H new ATOM 0 HA GLN A 10 -1.625 -3.871 17.861 1.00 21.54 H new ATOM 0 HB2 GLN A 10 -3.299 -2.449 16.070 1.00 24.35 H new ATOM 0 HB3 GLN A 10 -3.621 -3.910 16.510 1.00 24.35 H new ATOM 0 HG2 GLN A 10 -3.883 -3.191 18.743 1.00 37.07 H new ATOM 0 HG3 GLN A 10 -3.534 -1.731 18.320 1.00 37.07 H new ATOM 0 HE21 GLN A 10 -5.987 -4.092 18.052 1.00 42.13 H new ATOM 0 HE22 GLN A 10 -7.137 -3.198 17.740 1.00 42.13 H new ATOM 85 N LYS A 11 -1.050 -3.404 14.743 1.00 21.00 N ATOM 86 CA LYS A 11 -0.523 -3.977 13.516 1.00 19.29 C ATOM 87 C LYS A 11 0.920 -4.464 13.510 1.00 16.31 C ATOM 88 O LYS A 11 1.249 -5.305 12.680 1.00 17.60 O ATOM 89 CB LYS A 11 -0.723 -3.000 12.357 1.00 25.11 C ATOM 90 CG LYS A 11 -2.156 -2.617 12.117 1.00 28.49 C ATOM 91 CD LYS A 11 -2.261 -1.654 10.978 1.00 36.90 C ATOM 92 CE LYS A 11 -3.700 -1.581 10.499 1.00 44.92 C ATOM 93 NZ LYS A 11 -3.864 -0.683 9.314 1.00 53.07 N ATOM 0 H LYS A 11 -1.312 -2.589 14.661 1.00 21.00 H new ATOM 0 HA LYS A 11 -1.041 -4.792 13.422 1.00 19.29 H new ATOM 0 HB2 LYS A 11 -0.209 -2.196 12.532 1.00 25.11 H new ATOM 0 HB3 LYS A 11 -0.364 -3.396 11.547 1.00 25.11 H new ATOM 0 HG2 LYS A 11 -2.680 -3.410 11.925 1.00 28.49 H new ATOM 0 HG3 LYS A 11 -2.528 -2.218 12.919 1.00 28.49 H new ATOM 0 HD2 LYS A 11 -1.959 -0.775 11.257 1.00 36.90 H new ATOM 0 HD3 LYS A 11 -1.683 -1.935 10.251 1.00 36.90 H new ATOM 0 HE2 LYS A 11 -4.007 -2.472 10.271 1.00 44.92 H new ATOM 0 HE3 LYS A 11 -4.263 -1.263 11.222 1.00 44.92 H new ATOM 0 HZ1 LYS A 11 -4.427 -0.024 9.516 1.00 53.07 H new ATOM 0 HZ2 LYS A 11 -3.074 -0.340 9.090 1.00 53.07 H new ATOM 0 HZ3 LYS A 11 -4.189 -1.150 8.630 1.00 53.07 H new ATOM 94 N LEU A 12 1.800 -3.909 14.348 1.00 14.99 N ATOM 95 CA LEU A 12 3.205 -4.356 14.366 1.00 13.61 C ATOM 96 C LEU A 12 3.479 -5.408 15.439 1.00 16.24 C ATOM 97 O LEU A 12 4.636 -5.705 15.764 1.00 15.36 O ATOM 98 CB LEU A 12 4.191 -3.182 14.532 1.00 12.30 C ATOM 99 CG LEU A 12 4.264 -2.126 13.427 1.00 12.84 C ATOM 100 CD1 LEU A 12 5.515 -1.277 13.598 1.00 10.27 C ATOM 101 CD2 LEU A 12 4.257 -2.794 12.053 1.00 13.39 C ATOM 0 H LEU A 12 1.612 -3.283 14.907 1.00 14.99 H new ATOM 0 HA LEU A 12 3.351 -4.765 13.498 1.00 13.61 H new ATOM 0 HB2 LEU A 12 3.971 -2.727 15.360 1.00 12.30 H new ATOM 0 HB3 LEU A 12 5.079 -3.556 14.641 1.00 12.30 H new ATOM 0 HG LEU A 12 3.486 -1.551 13.493 1.00 12.84 H new ATOM 0 HD11 LEU A 12 5.553 -0.611 12.894 1.00 10.27 H new ATOM 0 HD12 LEU A 12 5.490 -0.834 14.461 1.00 10.27 H new ATOM 0 HD13 LEU A 12 6.300 -1.844 13.549 1.00 10.27 H new ATOM 0 HD21 LEU A 12 4.304 -2.114 11.362 1.00 13.39 H new ATOM 0 HD22 LEU A 12 5.022 -3.385 11.976 1.00 13.39 H new ATOM 0 HD23 LEU A 12 3.441 -3.307 11.947 1.00 13.39 H new ATOM 102 N LYS A 13 2.409 -5.984 15.970 1.00 18.71 N ATOM 103 CA LYS A 13 2.512 -6.997 17.006 1.00 22.17 C ATOM 104 C LYS A 13 3.452 -8.151 16.647 1.00 20.45 C ATOM 105 O LYS A 13 4.235 -8.585 17.480 1.00 15.97 O ATOM 106 CB LYS A 13 1.131 -7.554 17.351 1.00 27.55 C ATOM 107 CG LYS A 13 1.206 -8.604 18.440 1.00 40.22 C ATOM 108 CD LYS A 13 -0.114 -9.285 18.727 1.00 47.86 C ATOM 109 CE LYS A 13 0.076 -10.308 19.849 1.00 55.33 C ATOM 110 NZ LYS A 13 -1.202 -10.965 20.275 1.00 64.58 N ATOM 0 H LYS A 13 1.602 -5.797 15.739 1.00 18.71 H new ATOM 0 HA LYS A 13 2.896 -6.549 17.776 1.00 22.17 H new ATOM 0 HB2 LYS A 13 0.553 -6.830 17.638 1.00 27.55 H new ATOM 0 HB3 LYS A 13 0.730 -7.940 16.557 1.00 27.55 H new ATOM 0 HG2 LYS A 13 1.858 -9.276 18.185 1.00 40.22 H new ATOM 0 HG3 LYS A 13 1.530 -8.189 19.255 1.00 40.22 H new ATOM 0 HD2 LYS A 13 -0.779 -8.628 18.984 1.00 47.86 H new ATOM 0 HD3 LYS A 13 -0.443 -9.724 17.927 1.00 47.86 H new ATOM 0 HE2 LYS A 13 0.700 -10.990 19.554 1.00 55.33 H new ATOM 0 HE3 LYS A 13 0.477 -9.868 20.615 1.00 55.33 H new ATOM 0 HZ1 LYS A 13 -1.034 -11.548 20.927 1.00 64.58 H new ATOM 0 HZ2 LYS A 13 -1.770 -10.347 20.570 1.00 64.58 H new ATOM 0 HZ3 LYS A 13 -1.562 -11.392 19.582 1.00 64.58 H new ATOM 111 N ASP A 14 3.421 -8.618 15.404 1.00 18.94 N ATOM 112 CA ASP A 14 4.287 -9.731 15.056 1.00 22.60 C ATOM 113 C ASP A 14 5.778 -9.424 14.988 1.00 19.96 C ATOM 114 O ASP A 14 6.601 -10.322 14.794 1.00 22.28 O ATOM 115 CB ASP A 14 3.816 -10.439 13.789 1.00 29.55 C ATOM 116 CG ASP A 14 4.490 -11.787 13.611 1.00 35.48 C ATOM 117 OD1 ASP A 14 4.179 -12.707 14.400 1.00 39.39 O ATOM 118 OD2 ASP A 14 5.370 -11.909 12.723 1.00 37.32 O ATOM 0 H ASP A 14 2.925 -8.317 14.770 1.00 18.94 H new ATOM 0 HA ASP A 14 4.199 -10.331 15.813 1.00 22.60 H new ATOM 0 HB2 ASP A 14 2.854 -10.561 13.825 1.00 29.55 H new ATOM 0 HB3 ASP A 14 4.002 -9.880 13.018 1.00 29.55 H new ATOM 119 N LEU A 15 6.132 -8.159 15.156 1.00 17.30 N ATOM 120 CA LEU A 15 7.525 -7.752 15.140 1.00 11.67 C ATOM 121 C LEU A 15 8.013 -7.626 16.586 1.00 11.48 C ATOM 122 O LEU A 15 9.200 -7.423 16.847 1.00 14.36 O ATOM 123 CB LEU A 15 7.666 -6.408 14.432 1.00 12.70 C ATOM 124 CG LEU A 15 8.113 -6.315 12.977 1.00 8.38 C ATOM 125 CD1 LEU A 15 8.119 -4.849 12.584 1.00 2.00 C ATOM 126 CD2 LEU A 15 9.508 -6.924 12.806 1.00 7.02 C ATOM 0 H LEU A 15 5.575 -7.516 15.282 1.00 17.30 H new ATOM 0 HA LEU A 15 8.055 -8.411 14.666 1.00 11.67 H new ATOM 0 HB2 LEU A 15 6.804 -5.967 14.490 1.00 12.70 H new ATOM 0 HB3 LEU A 15 8.291 -5.880 14.953 1.00 12.70 H new ATOM 0 HG LEU A 15 7.505 -6.811 12.406 1.00 8.38 H new ATOM 0 HD11 LEU A 15 8.401 -4.763 11.660 1.00 2.00 H new ATOM 0 HD12 LEU A 15 7.226 -4.483 12.685 1.00 2.00 H new ATOM 0 HD13 LEU A 15 8.734 -4.363 13.156 1.00 2.00 H new ATOM 0 HD21 LEU A 15 9.779 -6.858 11.877 1.00 7.02 H new ATOM 0 HD22 LEU A 15 10.141 -6.444 13.362 1.00 7.02 H new ATOM 0 HD23 LEU A 15 9.489 -7.857 13.071 1.00 7.02 H new ATOM 127 N LYS A 16 7.103 -7.765 17.535 1.00 9.16 N ATOM 128 CA LYS A 16 7.473 -7.635 18.935 1.00 12.17 C ATOM 129 C LYS A 16 8.657 -8.501 19.345 1.00 12.66 C ATOM 130 O LYS A 16 8.656 -9.706 19.132 1.00 14.33 O ATOM 131 CB LYS A 16 6.282 -7.961 19.819 1.00 15.00 C ATOM 132 CG LYS A 16 6.610 -7.904 21.278 1.00 20.20 C ATOM 133 CD LYS A 16 5.426 -8.310 22.118 1.00 26.51 C ATOM 134 CE LYS A 16 5.819 -8.283 23.583 1.00 32.52 C ATOM 135 NZ LYS A 16 4.653 -8.561 24.463 1.00 38.97 N ATOM 0 H LYS A 16 6.272 -7.933 17.393 1.00 9.16 H new ATOM 0 HA LYS A 16 7.749 -6.713 19.053 1.00 12.17 H new ATOM 0 HB2 LYS A 16 5.563 -7.338 19.629 1.00 15.00 H new ATOM 0 HB3 LYS A 16 5.955 -8.847 19.600 1.00 15.00 H new ATOM 0 HG2 LYS A 16 7.360 -8.490 21.467 1.00 20.20 H new ATOM 0 HG3 LYS A 16 6.885 -7.005 21.516 1.00 20.20 H new ATOM 0 HD2 LYS A 16 4.682 -7.707 21.961 1.00 26.51 H new ATOM 0 HD3 LYS A 16 5.128 -9.199 21.868 1.00 26.51 H new ATOM 0 HE2 LYS A 16 6.513 -8.941 23.746 1.00 32.52 H new ATOM 0 HE3 LYS A 16 6.193 -7.416 23.803 1.00 32.52 H new ATOM 0 HZ1 LYS A 16 4.911 -8.539 25.314 1.00 38.97 H new ATOM 0 HZ2 LYS A 16 4.025 -7.945 24.328 1.00 38.97 H new ATOM 0 HZ3 LYS A 16 4.323 -9.366 24.274 1.00 38.97 H new ATOM 136 N ASP A 17 9.685 -7.854 19.882 1.00 13.43 N ATOM 137 CA ASP A 17 10.898 -8.497 20.375 1.00 10.13 C ATOM 138 C ASP A 17 11.761 -9.195 19.378 1.00 9.18 C ATOM 139 O ASP A 17 12.767 -9.800 19.741 1.00 6.67 O ATOM 140 CB ASP A 17 10.598 -9.426 21.530 1.00 19.35 C ATOM 141 CG ASP A 17 10.169 -8.678 22.762 1.00 23.42 C ATOM 142 OD1 ASP A 17 10.722 -7.578 23.012 1.00 25.06 O ATOM 143 OD2 ASP A 17 9.265 -9.197 23.453 1.00 27.29 O ATOM 0 H ASP A 17 9.696 -6.999 19.973 1.00 13.43 H new ATOM 0 HA ASP A 17 11.431 -7.739 20.662 1.00 10.13 H new ATOM 0 HB2 ASP A 17 9.899 -10.047 21.271 1.00 19.35 H new ATOM 0 HB3 ASP A 17 11.386 -9.954 21.732 1.00 19.35 H new ATOM 144 N TYR A 18 11.380 -9.082 18.118 1.00 10.57 N ATOM 145 CA TYR A 18 12.140 -9.668 17.046 1.00 9.55 C ATOM 146 C TYR A 18 13.543 -9.053 17.083 1.00 10.39 C ATOM 147 O TYR A 18 13.703 -7.828 17.142 1.00 13.14 O ATOM 148 CB TYR A 18 11.449 -9.378 15.713 1.00 10.91 C ATOM 149 CG TYR A 18 12.162 -10.076 14.631 1.00 10.88 C ATOM 150 CD1 TYR A 18 11.893 -11.415 14.367 1.00 10.34 C ATOM 151 CD2 TYR A 18 13.247 -9.468 13.984 1.00 9.29 C ATOM 152 CE1 TYR A 18 12.691 -12.139 13.509 1.00 10.25 C ATOM 153 CE2 TYR A 18 14.049 -10.178 13.125 1.00 9.90 C ATOM 154 CZ TYR A 18 13.758 -11.518 12.895 1.00 14.33 C ATOM 155 OH TYR A 18 14.511 -12.242 12.025 1.00 22.46 O ATOM 0 H TYR A 18 10.673 -8.663 17.865 1.00 10.57 H new ATOM 0 HA TYR A 18 12.202 -10.631 17.145 1.00 9.55 H new ATOM 0 HB2 TYR A 18 10.525 -9.670 15.746 1.00 10.91 H new ATOM 0 HB3 TYR A 18 11.439 -8.423 15.544 1.00 10.91 H new ATOM 0 HD1 TYR A 18 11.165 -11.826 14.775 1.00 10.34 H new ATOM 0 HD2 TYR A 18 13.427 -8.569 14.139 1.00 9.29 H new ATOM 0 HE1 TYR A 18 12.512 -13.037 13.346 1.00 10.25 H new ATOM 0 HE2 TYR A 18 14.772 -9.771 12.705 1.00 9.90 H new ATOM 0 HH TYR A 18 15.083 -11.742 11.666 1.00 22.46 H new ATOM 156 N GLY A 19 14.564 -9.896 17.069 1.00 10.74 N ATOM 157 CA GLY A 19 15.929 -9.404 17.129 1.00 8.47 C ATOM 158 C GLY A 19 16.262 -8.672 18.425 1.00 10.56 C ATOM 159 O GLY A 19 17.331 -8.060 18.563 1.00 8.31 O ATOM 0 H GLY A 19 14.489 -10.752 17.025 1.00 10.74 H new ATOM 0 HA2 GLY A 19 16.538 -10.151 17.024 1.00 8.47 H new ATOM 0 HA3 GLY A 19 16.082 -8.806 16.381 1.00 8.47 H new ATOM 160 N GLY A 20 15.353 -8.746 19.387 1.00 10.47 N ATOM 161 CA GLY A 20 15.573 -8.066 20.644 1.00 15.88 C ATOM 162 C GLY A 20 15.067 -6.628 20.639 1.00 17.29 C ATOM 163 O GLY A 20 15.331 -5.883 21.579 1.00 19.98 O ATOM 0 H GLY A 20 14.613 -9.180 19.330 1.00 10.47 H new ATOM 0 HA2 GLY A 20 15.130 -8.557 21.354 1.00 15.88 H new ATOM 0 HA3 GLY A 20 16.522 -8.069 20.846 1.00 15.88 H new ATOM 164 N VAL A 21 14.338 -6.233 19.596 1.00 17.56 N ATOM 165 CA VAL A 21 13.783 -4.872 19.494 1.00 13.77 C ATOM 166 C VAL A 21 12.334 -4.901 19.931 1.00 12.02 C ATOM 167 O VAL A 21 11.492 -5.524 19.285 1.00 9.90 O ATOM 168 CB VAL A 21 13.877 -4.317 18.045 1.00 13.97 C ATOM 169 CG1 VAL A 21 13.313 -2.881 17.956 1.00 9.77 C ATOM 170 CG2 VAL A 21 15.309 -4.327 17.599 1.00 12.82 C ATOM 0 H VAL A 21 14.149 -6.740 18.928 1.00 17.56 H new ATOM 0 HA VAL A 21 14.302 -4.287 20.067 1.00 13.77 H new ATOM 0 HB VAL A 21 13.345 -4.885 17.465 1.00 13.97 H new ATOM 0 HG11 VAL A 21 13.384 -2.561 17.043 1.00 9.77 H new ATOM 0 HG12 VAL A 21 12.381 -2.882 18.226 1.00 9.77 H new ATOM 0 HG13 VAL A 21 13.819 -2.298 18.543 1.00 9.77 H new ATOM 0 HG21 VAL A 21 15.369 -3.981 16.695 1.00 12.82 H new ATOM 0 HG22 VAL A 21 15.837 -3.771 18.193 1.00 12.82 H new ATOM 0 HG23 VAL A 21 15.648 -5.235 17.620 1.00 12.82 H new ATOM 171 N SER A 22 12.043 -4.235 21.036 1.00 9.59 N ATOM 172 CA SER A 22 10.699 -4.223 21.554 1.00 9.35 C ATOM 173 C SER A 22 9.686 -3.525 20.675 1.00 11.42 C ATOM 174 O SER A 22 10.025 -2.674 19.850 1.00 11.64 O ATOM 175 CB SER A 22 10.690 -3.582 22.932 1.00 12.17 C ATOM 176 OG SER A 22 11.350 -2.334 22.904 1.00 16.84 O ATOM 0 H SER A 22 12.613 -3.785 21.497 1.00 9.59 H new ATOM 0 HA SER A 22 10.426 -5.153 21.590 1.00 9.35 H new ATOM 0 HB2 SER A 22 9.776 -3.463 23.233 1.00 12.17 H new ATOM 0 HB3 SER A 22 11.125 -4.169 23.570 1.00 12.17 H new ATOM 0 HG SER A 22 11.336 -1.992 23.671 1.00 16.84 H new ATOM 177 N LEU A 23 8.422 -3.839 20.928 1.00 10.87 N ATOM 178 CA LEU A 23 7.319 -3.254 20.202 1.00 11.84 C ATOM 179 C LEU A 23 7.344 -1.710 20.291 1.00 14.80 C ATOM 180 O LEU A 23 7.224 -1.030 19.277 1.00 17.93 O ATOM 181 CB LEU A 23 6.006 -3.848 20.716 1.00 7.76 C ATOM 182 CG LEU A 23 4.749 -3.581 19.897 1.00 8.62 C ATOM 183 CD1 LEU A 23 4.965 -3.930 18.425 1.00 7.29 C ATOM 184 CD2 LEU A 23 3.621 -4.393 20.482 1.00 8.21 C ATOM 0 H LEU A 23 8.184 -4.403 21.532 1.00 10.87 H new ATOM 0 HA LEU A 23 7.401 -3.469 19.260 1.00 11.84 H new ATOM 0 HB2 LEU A 23 6.119 -4.809 20.787 1.00 7.76 H new ATOM 0 HB3 LEU A 23 5.856 -3.512 21.614 1.00 7.76 H new ATOM 0 HG LEU A 23 4.530 -2.637 19.935 1.00 8.62 H new ATOM 0 HD11 LEU A 23 4.152 -3.751 17.927 1.00 7.29 H new ATOM 0 HD12 LEU A 23 5.688 -3.391 18.067 1.00 7.29 H new ATOM 0 HD13 LEU A 23 5.193 -4.870 18.345 1.00 7.29 H new ATOM 0 HD21 LEU A 23 2.811 -4.236 19.973 1.00 8.21 H new ATOM 0 HD22 LEU A 23 3.848 -5.335 20.445 1.00 8.21 H new ATOM 0 HD23 LEU A 23 3.478 -4.131 21.405 1.00 8.21 H new ATOM 185 N PRO A 24 7.515 -1.137 21.495 1.00 15.05 N ATOM 186 CA PRO A 24 7.558 0.323 21.636 1.00 13.96 C ATOM 187 C PRO A 24 8.701 0.937 20.842 1.00 11.32 C ATOM 188 O PRO A 24 8.643 2.100 20.493 1.00 15.86 O ATOM 189 CB PRO A 24 7.811 0.511 23.124 1.00 16.68 C ATOM 190 CG PRO A 24 7.146 -0.669 23.716 1.00 19.52 C ATOM 191 CD PRO A 24 7.572 -1.776 22.820 1.00 14.78 C ATOM 0 HA PRO A 24 6.750 0.748 21.308 1.00 13.96 H new ATOM 0 HB2 PRO A 24 8.759 0.531 23.329 1.00 16.68 H new ATOM 0 HB3 PRO A 24 7.432 1.341 23.452 1.00 16.68 H new ATOM 0 HG2 PRO A 24 7.429 -0.819 24.632 1.00 19.52 H new ATOM 0 HG3 PRO A 24 6.181 -0.569 23.730 1.00 19.52 H new ATOM 0 HD2 PRO A 24 8.464 -2.092 23.032 1.00 14.78 H new ATOM 0 HD3 PRO A 24 6.978 -2.541 22.880 1.00 14.78 H new ATOM 192 N GLU A 25 9.773 0.192 20.631 1.00 9.88 N ATOM 193 CA GLU A 25 10.881 0.711 19.848 1.00 10.27 C ATOM 194 C GLU A 25 10.523 0.630 18.356 1.00 12.44 C ATOM 195 O GLU A 25 10.996 1.446 17.562 1.00 18.62 O ATOM 196 CB GLU A 25 12.173 -0.036 20.147 1.00 9.34 C ATOM 197 CG GLU A 25 13.327 0.459 19.324 1.00 16.74 C ATOM 198 CD GLU A 25 14.675 -0.017 19.827 1.00 25.47 C ATOM 199 OE1 GLU A 25 14.697 -0.750 20.853 1.00 29.04 O ATOM 200 OE2 GLU A 25 15.707 0.373 19.205 1.00 22.75 O ATOM 0 H GLU A 25 9.879 -0.608 20.928 1.00 9.88 H new ATOM 0 HA GLU A 25 11.032 1.638 20.090 1.00 10.27 H new ATOM 0 HB2 GLU A 25 12.387 0.058 21.088 1.00 9.34 H new ATOM 0 HB3 GLU A 25 12.042 -0.982 19.979 1.00 9.34 H new ATOM 0 HG2 GLU A 25 13.210 0.166 18.407 1.00 16.74 H new ATOM 0 HG3 GLU A 25 13.317 1.429 19.316 1.00 16.74 H new ATOM 201 N TRP A 26 9.663 -0.319 17.986 1.00 9.19 N ATOM 202 CA TRP A 26 9.205 -0.461 16.603 1.00 8.44 C ATOM 203 C TRP A 26 8.273 0.692 16.207 1.00 8.39 C ATOM 204 O TRP A 26 8.423 1.274 15.130 1.00 14.65 O ATOM 205 CB TRP A 26 8.496 -1.812 16.389 1.00 4.44 C ATOM 206 CG TRP A 26 9.457 -2.941 16.131 1.00 8.86 C ATOM 207 CD1 TRP A 26 9.717 -4.005 16.953 1.00 8.73 C ATOM 208 CD2 TRP A 26 10.377 -3.052 15.027 1.00 10.08 C ATOM 209 NE1 TRP A 26 10.767 -4.762 16.448 1.00 9.70 N ATOM 210 CE2 TRP A 26 11.190 -4.203 15.268 1.00 10.27 C ATOM 211 CE3 TRP A 26 10.611 -2.288 13.867 1.00 5.41 C ATOM 212 CZ2 TRP A 26 12.207 -4.607 14.389 1.00 9.12 C ATOM 213 CZ3 TRP A 26 11.621 -2.681 12.998 1.00 7.52 C ATOM 214 CH2 TRP A 26 12.414 -3.834 13.263 1.00 9.18 C ATOM 0 H TRP A 26 9.329 -0.897 18.528 1.00 9.19 H new ATOM 0 HA TRP A 26 9.990 -0.431 16.033 1.00 8.44 H new ATOM 0 HB2 TRP A 26 7.962 -2.020 17.172 1.00 4.44 H new ATOM 0 HB3 TRP A 26 7.884 -1.736 15.640 1.00 4.44 H new ATOM 0 HD1 TRP A 26 9.256 -4.194 17.738 1.00 8.73 H new ATOM 0 HE1 TRP A 26 11.098 -5.466 16.815 1.00 9.70 H new ATOM 0 HE3 TRP A 26 10.098 -1.534 13.686 1.00 5.41 H new ATOM 0 HZ2 TRP A 26 12.720 -5.364 14.558 1.00 9.12 H new ATOM 0 HZ3 TRP A 26 11.782 -2.182 12.230 1.00 7.52 H new ATOM 0 HH2 TRP A 26 13.086 -4.072 12.665 1.00 9.18 H new ATOM 215 N VAL A 27 7.339 1.053 17.084 1.00 8.99 N ATOM 216 CA VAL A 27 6.390 2.154 16.828 1.00 9.06 C ATOM 217 C VAL A 27 7.106 3.490 16.748 1.00 9.38 C ATOM 218 O VAL A 27 6.720 4.364 15.975 1.00 16.76 O ATOM 219 CB VAL A 27 5.276 2.215 17.897 1.00 11.12 C ATOM 220 CG1 VAL A 27 5.899 2.236 19.259 1.00 16.81 C ATOM 221 CG2 VAL A 27 4.379 3.455 17.718 1.00 8.23 C ATOM 0 H VAL A 27 7.232 0.670 17.847 1.00 8.99 H new ATOM 0 HA VAL A 27 5.975 1.971 15.971 1.00 9.06 H new ATOM 0 HB VAL A 27 4.717 1.429 17.795 1.00 11.12 H new ATOM 0 HG11 VAL A 27 5.203 2.274 19.933 1.00 16.81 H new ATOM 0 HG12 VAL A 27 6.427 1.432 19.386 1.00 16.81 H new ATOM 0 HG13 VAL A 27 6.471 3.015 19.341 1.00 16.81 H new ATOM 0 HG21 VAL A 27 3.693 3.460 18.404 1.00 8.23 H new ATOM 0 HG22 VAL A 27 4.918 4.258 17.794 1.00 8.23 H new ATOM 0 HG23 VAL A 27 3.960 3.428 16.843 1.00 8.23 H new ATOM 222 N CYS A 28 8.179 3.625 17.512 1.00 7.74 N ATOM 223 CA CYS A 28 9.001 4.829 17.532 1.00 10.34 C ATOM 224 C CYS A 28 9.758 4.997 16.197 1.00 13.98 C ATOM 225 O CYS A 28 9.807 6.097 15.620 1.00 13.54 O ATOM 226 CB CYS A 28 9.971 4.714 18.705 1.00 9.33 C ATOM 227 SG CYS A 28 11.173 6.049 18.888 1.00 9.15 S ATOM 0 H CYS A 28 8.457 3.009 18.044 1.00 7.74 H new ATOM 0 HA CYS A 28 8.443 5.615 17.641 1.00 10.34 H new ATOM 0 HB2 CYS A 28 9.453 4.657 19.523 1.00 9.33 H new ATOM 0 HB3 CYS A 28 10.456 3.878 18.618 1.00 9.33 H new ATOM 228 N THR A 29 10.294 3.875 15.702 1.00 13.01 N ATOM 229 CA THR A 29 11.027 3.805 14.448 1.00 8.13 C ATOM 230 C THR A 29 10.073 4.157 13.331 1.00 6.03 C ATOM 231 O THR A 29 10.434 4.825 12.389 1.00 11.20 O ATOM 232 CB THR A 29 11.573 2.366 14.206 1.00 11.22 C ATOM 233 OG1 THR A 29 12.521 2.027 15.221 1.00 10.08 O ATOM 234 CG2 THR A 29 12.255 2.270 12.864 1.00 10.63 C ATOM 0 H THR A 29 10.235 3.117 16.103 1.00 13.01 H new ATOM 0 HA THR A 29 11.777 4.419 14.479 1.00 8.13 H new ATOM 0 HB THR A 29 10.821 1.754 14.230 1.00 11.22 H new ATOM 0 HG1 THR A 29 12.117 1.861 15.938 1.00 10.08 H new ATOM 0 HG21 THR A 29 12.587 1.368 12.733 1.00 10.63 H new ATOM 0 HG22 THR A 29 11.621 2.485 12.162 1.00 10.63 H new ATOM 0 HG23 THR A 29 12.996 2.895 12.832 1.00 10.63 H new ATOM 235 N ALA A 30 8.839 3.703 13.445 1.00 6.51 N ATOM 236 CA ALA A 30 7.841 3.989 12.435 1.00 5.75 C ATOM 237 C ALA A 30 7.473 5.465 12.418 1.00 4.92 C ATOM 238 O ALA A 30 7.195 6.001 11.364 1.00 6.98 O ATOM 239 CB ALA A 30 6.593 3.123 12.644 1.00 4.47 C ATOM 0 H ALA A 30 8.558 3.225 14.103 1.00 6.51 H new ATOM 0 HA ALA A 30 8.226 3.771 11.572 1.00 5.75 H new ATOM 0 HB1 ALA A 30 5.938 3.329 11.959 1.00 4.47 H new ATOM 0 HB2 ALA A 30 6.836 2.186 12.587 1.00 4.47 H new ATOM 0 HB3 ALA A 30 6.215 3.306 13.518 1.00 4.47 H new ATOM 240 N PHE A 31 7.404 6.097 13.587 1.00 7.24 N ATOM 241 CA PHE A 31 7.070 7.520 13.682 1.00 6.64 C ATOM 242 C PHE A 31 8.128 8.361 13.007 1.00 9.02 C ATOM 243 O PHE A 31 7.827 9.249 12.229 1.00 11.19 O ATOM 244 CB PHE A 31 6.996 7.980 15.139 1.00 8.98 C ATOM 245 CG PHE A 31 6.776 9.469 15.301 1.00 5.76 C ATOM 246 CD1 PHE A 31 5.530 10.034 15.051 1.00 8.79 C ATOM 247 CD2 PHE A 31 7.818 10.307 15.689 1.00 11.37 C ATOM 248 CE1 PHE A 31 5.330 11.411 15.184 1.00 10.31 C ATOM 249 CE2 PHE A 31 7.634 11.696 15.828 1.00 5.97 C ATOM 250 CZ PHE A 31 6.387 12.240 15.573 1.00 10.56 C ATOM 0 H PHE A 31 7.548 5.717 14.345 1.00 7.24 H new ATOM 0 HA PHE A 31 6.209 7.632 13.250 1.00 6.64 H new ATOM 0 HB2 PHE A 31 6.276 7.505 15.583 1.00 8.98 H new ATOM 0 HB3 PHE A 31 7.819 7.733 15.589 1.00 8.98 H new ATOM 0 HD1 PHE A 31 4.822 9.489 14.792 1.00 8.79 H new ATOM 0 HD2 PHE A 31 8.655 9.941 15.860 1.00 11.37 H new ATOM 0 HE1 PHE A 31 4.492 11.777 15.013 1.00 10.31 H new ATOM 0 HE2 PHE A 31 8.341 12.241 16.088 1.00 5.97 H new ATOM 0 HZ PHE A 31 6.252 13.156 15.660 1.00 10.56 H new ATOM 251 N HIS A 32 9.375 8.099 13.348 1.00 8.49 N ATOM 252 CA HIS A 32 10.470 8.846 12.792 1.00 10.19 C ATOM 253 C HIS A 32 10.758 8.561 11.335 1.00 15.31 C ATOM 254 O HIS A 32 11.433 9.342 10.663 1.00 19.41 O ATOM 255 CB HIS A 32 11.719 8.557 13.589 1.00 12.73 C ATOM 256 CG HIS A 32 11.697 9.141 14.953 1.00 12.67 C ATOM 257 ND1 HIS A 32 11.858 10.485 15.183 1.00 11.67 N ATOM 258 CD2 HIS A 32 11.551 8.561 16.169 1.00 13.60 C ATOM 259 CE1 HIS A 32 11.821 10.713 16.481 1.00 14.78 C ATOM 260 NE2 HIS A 32 11.634 9.560 17.100 1.00 15.00 N ATOM 0 H HIS A 32 9.605 7.486 13.905 1.00 8.49 H new ATOM 0 HA HIS A 32 10.205 9.778 12.842 1.00 10.19 H new ATOM 0 HB2 HIS A 32 11.836 7.596 13.658 1.00 12.73 H new ATOM 0 HB3 HIS A 32 12.488 8.902 13.109 1.00 12.73 H new ATOM 0 HD2 HIS A 32 11.419 7.656 16.338 1.00 13.60 H new ATOM 0 HE1 HIS A 32 11.911 11.543 16.891 1.00 14.78 H new ATOM 0 HE2 HIS A 32 11.574 9.455 17.951 1.00 15.00 H new ATOM 261 N THR A 33 10.266 7.435 10.848 1.00 15.84 N ATOM 262 CA THR A 33 10.516 7.043 9.479 1.00 10.71 C ATOM 263 C THR A 33 9.533 7.562 8.444 1.00 8.27 C ATOM 264 O THR A 33 9.953 8.117 7.456 1.00 11.78 O ATOM 265 CB THR A 33 10.630 5.501 9.400 1.00 9.97 C ATOM 266 OG1 THR A 33 11.783 5.089 10.130 1.00 10.46 O ATOM 267 CG2 THR A 33 10.767 5.026 7.993 1.00 12.32 C ATOM 0 H THR A 33 9.783 6.883 11.297 1.00 15.84 H new ATOM 0 HA THR A 33 11.352 7.472 9.239 1.00 10.71 H new ATOM 0 HB THR A 33 9.819 5.120 9.773 1.00 9.97 H new ATOM 0 HG1 THR A 33 11.571 4.942 10.929 1.00 10.46 H new ATOM 0 HG21 THR A 33 10.836 4.058 7.983 1.00 12.32 H new ATOM 0 HG22 THR A 33 9.990 5.300 7.482 1.00 12.32 H new ATOM 0 HG23 THR A 33 11.565 5.410 7.598 1.00 12.32 H new ATOM 268 N SER A 34 8.233 7.396 8.674 1.00 9.38 N ATOM 269 CA SER A 34 7.208 7.795 7.708 1.00 4.49 C ATOM 270 C SER A 34 6.031 8.450 8.363 1.00 3.07 C ATOM 271 O SER A 34 5.031 8.711 7.702 1.00 2.00 O ATOM 272 CB SER A 34 6.686 6.548 7.004 1.00 3.90 C ATOM 273 OG SER A 34 6.135 5.680 7.985 1.00 10.30 O ATOM 0 H SER A 34 7.919 7.049 9.395 1.00 9.38 H new ATOM 0 HA SER A 34 7.620 8.424 7.096 1.00 4.49 H new ATOM 0 HB2 SER A 34 6.013 6.787 6.348 1.00 3.90 H new ATOM 0 HB3 SER A 34 7.404 6.105 6.525 1.00 3.90 H new ATOM 0 HG SER A 34 6.637 5.014 8.084 1.00 10.30 H new ATOM 274 N GLY A 35 6.125 8.648 9.678 1.00 6.63 N ATOM 275 CA GLY A 35 5.042 9.260 10.441 1.00 7.12 C ATOM 276 C GLY A 35 3.757 8.436 10.495 1.00 8.87 C ATOM 277 O GLY A 35 2.693 9.017 10.696 1.00 12.50 O ATOM 0 H GLY A 35 6.813 8.433 10.148 1.00 6.63 H new ATOM 0 HA2 GLY A 35 5.350 9.417 11.347 1.00 7.12 H new ATOM 0 HA3 GLY A 35 4.840 10.127 10.055 1.00 7.12 H new ATOM 278 N TYR A 36 3.876 7.103 10.382 1.00 5.27 N ATOM 279 CA TYR A 36 2.757 6.145 10.393 1.00 2.41 C ATOM 280 C TYR A 36 1.968 6.157 9.082 1.00 6.95 C ATOM 281 O TYR A 36 0.808 5.770 9.052 1.00 6.73 O ATOM 282 CB TYR A 36 1.780 6.406 11.551 1.00 3.37 C ATOM 283 CG TYR A 36 2.392 6.503 12.955 1.00 4.76 C ATOM 284 CD1 TYR A 36 3.425 5.665 13.357 1.00 2.00 C ATOM 285 CD2 TYR A 36 1.904 7.433 13.884 1.00 8.14 C ATOM 286 CE1 TYR A 36 3.961 5.735 14.640 1.00 2.30 C ATOM 287 CE2 TYR A 36 2.433 7.510 15.175 1.00 9.87 C ATOM 288 CZ TYR A 36 3.466 6.652 15.553 1.00 9.04 C ATOM 289 OH TYR A 36 3.994 6.713 16.852 1.00 13.43 O ATOM 0 H TYR A 36 4.640 6.719 10.294 1.00 5.27 H new ATOM 0 HA TYR A 36 3.169 5.274 10.510 1.00 2.41 H new ATOM 0 HB2 TYR A 36 1.307 7.233 11.368 1.00 3.37 H new ATOM 0 HB3 TYR A 36 1.119 5.696 11.556 1.00 3.37 H new ATOM 0 HD1 TYR A 36 3.766 5.043 12.755 1.00 2.00 H new ATOM 0 HD2 TYR A 36 1.217 8.008 13.637 1.00 8.14 H new ATOM 0 HE1 TYR A 36 4.653 5.164 14.885 1.00 2.30 H new ATOM 0 HE2 TYR A 36 2.098 8.131 15.780 1.00 9.87 H new ATOM 0 HH TYR A 36 4.729 6.307 16.875 1.00 13.43 H new ATOM 290 N ASP A 37 2.605 6.552 7.986 1.00 9.08 N ATOM 291 CA ASP A 37 1.915 6.620 6.703 1.00 8.83 C ATOM 292 C ASP A 37 2.322 5.444 5.823 1.00 10.01 C ATOM 293 O ASP A 37 3.418 5.428 5.254 1.00 12.60 O ATOM 294 CB ASP A 37 2.203 7.975 6.014 1.00 8.87 C ATOM 295 CG ASP A 37 1.345 8.215 4.744 1.00 15.32 C ATOM 296 OD1 ASP A 37 0.374 7.469 4.480 1.00 12.21 O ATOM 297 OD2 ASP A 37 1.653 9.172 3.993 1.00 23.08 O ATOM 0 H ASP A 37 3.433 6.784 7.963 1.00 9.08 H new ATOM 0 HA ASP A 37 0.958 6.561 6.851 1.00 8.83 H new ATOM 0 HB2 ASP A 37 2.041 8.693 6.646 1.00 8.87 H new ATOM 0 HB3 ASP A 37 3.142 8.015 5.774 1.00 8.87 H new ATOM 298 N THR A 38 1.389 4.511 5.662 1.00 10.44 N ATOM 299 CA THR A 38 1.569 3.290 4.879 1.00 11.50 C ATOM 300 C THR A 38 1.855 3.519 3.413 1.00 13.60 C ATOM 301 O THR A 38 2.428 2.673 2.752 1.00 16.11 O ATOM 302 CB THR A 38 0.332 2.404 4.971 1.00 11.44 C ATOM 303 OG1 THR A 38 -0.799 3.115 4.446 1.00 14.07 O ATOM 304 CG2 THR A 38 0.062 2.042 6.445 1.00 9.98 C ATOM 0 H THR A 38 0.608 4.572 6.017 1.00 10.44 H new ATOM 0 HA THR A 38 2.349 2.866 5.270 1.00 11.50 H new ATOM 0 HB THR A 38 0.478 1.593 4.460 1.00 11.44 H new ATOM 0 HG1 THR A 38 -1.003 3.741 4.967 1.00 14.07 H new ATOM 0 HG21 THR A 38 -0.725 1.478 6.501 1.00 9.98 H new ATOM 0 HG22 THR A 38 0.826 1.566 6.807 1.00 9.98 H new ATOM 0 HG23 THR A 38 -0.085 2.853 6.956 1.00 9.98 H new ATOM 305 N GLN A 39 1.507 4.698 2.929 1.00 16.45 N ATOM 306 CA GLN A 39 1.714 5.031 1.540 1.00 17.07 C ATOM 307 C GLN A 39 2.772 6.077 1.331 1.00 13.81 C ATOM 308 O GLN A 39 2.799 6.679 0.290 1.00 15.04 O ATOM 309 CB GLN A 39 0.406 5.525 0.928 1.00 22.41 C ATOM 310 CG GLN A 39 -0.660 4.467 0.855 1.00 33.81 C ATOM 311 CD GLN A 39 -1.954 4.992 0.291 1.00 41.95 C ATOM 312 OE1 GLN A 39 -2.670 5.740 0.962 1.00 45.96 O ATOM 313 NE2 GLN A 39 -2.279 4.598 -0.936 1.00 46.33 N ATOM 0 H GLN A 39 1.146 5.323 3.396 1.00 16.45 H new ATOM 0 HA GLN A 39 2.019 4.219 1.106 1.00 17.07 H new ATOM 0 HB2 GLN A 39 0.075 6.272 1.451 1.00 22.41 H new ATOM 0 HB3 GLN A 39 0.581 5.859 0.034 1.00 22.41 H new ATOM 0 HG2 GLN A 39 -0.345 3.732 0.306 1.00 33.81 H new ATOM 0 HG3 GLN A 39 -0.819 4.110 1.743 1.00 33.81 H new ATOM 0 HE21 GLN A 39 -1.754 4.076 -1.373 1.00 46.33 H new ATOM 0 HE22 GLN A 39 -3.014 4.865 -1.293 1.00 46.33 H new ATOM 314 N ALA A 40 3.671 6.279 2.279 1.00 11.59 N ATOM 315 CA ALA A 40 4.677 7.315 2.074 1.00 14.17 C ATOM 316 C ALA A 40 5.704 6.911 1.030 1.00 16.70 C ATOM 317 O ALA A 40 6.214 5.778 1.060 1.00 17.54 O ATOM 318 CB ALA A 40 5.379 7.676 3.399 1.00 7.20 C ATOM 0 H ALA A 40 3.721 5.848 3.022 1.00 11.59 H new ATOM 0 HA ALA A 40 4.211 8.099 1.744 1.00 14.17 H new ATOM 0 HB1 ALA A 40 6.042 8.365 3.237 1.00 7.20 H new ATOM 0 HB2 ALA A 40 4.723 8.002 4.035 1.00 7.20 H new ATOM 0 HB3 ALA A 40 5.814 6.888 3.760 1.00 7.20 H new ATOM 319 N ILE A 41 5.982 7.819 0.090 1.00 16.78 N ATOM 320 CA ILE A 41 6.990 7.591 -0.956 1.00 18.47 C ATOM 321 C ILE A 41 7.982 8.763 -0.930 1.00 17.54 C ATOM 322 O ILE A 41 7.582 9.922 -1.017 1.00 24.03 O ATOM 323 CB ILE A 41 6.343 7.451 -2.379 1.00 19.98 C ATOM 324 CG1 ILE A 41 5.530 6.170 -2.472 1.00 19.67 C ATOM 325 CG2 ILE A 41 7.409 7.356 -3.470 1.00 19.10 C ATOM 326 CD1 ILE A 41 4.789 6.071 -3.763 1.00 27.42 C ATOM 0 H ILE A 41 5.593 8.584 0.040 1.00 16.78 H new ATOM 0 HA ILE A 41 7.446 6.754 -0.776 1.00 18.47 H new ATOM 0 HB ILE A 41 5.789 8.237 -2.506 1.00 19.98 H new ATOM 0 HG12 ILE A 41 6.120 5.406 -2.379 1.00 19.67 H new ATOM 0 HG13 ILE A 41 4.900 6.133 -1.735 1.00 19.67 H new ATOM 0 HG21 ILE A 41 6.980 7.271 -4.336 1.00 19.10 H new ATOM 0 HG22 ILE A 41 7.956 8.157 -3.459 1.00 19.10 H new ATOM 0 HG23 ILE A 41 7.969 6.580 -3.309 1.00 19.10 H new ATOM 0 HD11 ILE A 41 4.284 5.243 -3.784 1.00 27.42 H new ATOM 0 HD12 ILE A 41 4.181 6.822 -3.846 1.00 27.42 H new ATOM 0 HD13 ILE A 41 5.420 6.083 -4.500 1.00 27.42 H new ATOM 327 N VAL A 42 9.266 8.473 -0.783 1.00 9.74 N ATOM 328 CA VAL A 42 10.256 9.524 -0.750 1.00 11.65 C ATOM 329 C VAL A 42 11.346 9.226 -1.776 1.00 12.52 C ATOM 330 O VAL A 42 11.885 8.129 -1.817 1.00 14.58 O ATOM 331 CB VAL A 42 10.819 9.673 0.679 1.00 11.12 C ATOM 332 CG1 VAL A 42 11.950 10.699 0.739 1.00 6.11 C ATOM 333 CG2 VAL A 42 9.685 10.065 1.606 1.00 14.54 C ATOM 0 H VAL A 42 9.580 7.676 -0.701 1.00 9.74 H new ATOM 0 HA VAL A 42 9.852 10.373 -0.987 1.00 11.65 H new ATOM 0 HB VAL A 42 11.198 8.825 0.959 1.00 11.12 H new ATOM 0 HG11 VAL A 42 12.278 10.766 1.649 1.00 6.11 H new ATOM 0 HG12 VAL A 42 12.672 10.419 0.155 1.00 6.11 H new ATOM 0 HG13 VAL A 42 11.618 11.564 0.451 1.00 6.11 H new ATOM 0 HG21 VAL A 42 10.024 10.162 2.509 1.00 14.54 H new ATOM 0 HG22 VAL A 42 9.303 10.907 1.312 1.00 14.54 H new ATOM 0 HG23 VAL A 42 9.001 9.377 1.590 1.00 14.54 H new ATOM 334 N GLN A 43 11.623 10.193 -2.633 1.00 12.61 N ATOM 335 CA GLN A 43 12.616 10.039 -3.680 1.00 18.41 C ATOM 336 C GLN A 43 13.954 10.725 -3.428 1.00 21.74 C ATOM 337 O GLN A 43 14.058 11.715 -2.704 1.00 24.03 O ATOM 338 CB GLN A 43 12.037 10.539 -4.998 1.00 21.00 C ATOM 339 CG GLN A 43 10.874 9.710 -5.507 1.00 28.11 C ATOM 340 CD GLN A 43 9.777 10.562 -6.117 1.00 35.60 C ATOM 341 OE1 GLN A 43 10.014 11.336 -7.058 1.00 38.74 O ATOM 342 NE2 GLN A 43 8.566 10.451 -5.566 1.00 34.43 N ATOM 0 H GLN A 43 11.238 10.962 -2.624 1.00 12.61 H new ATOM 0 HA GLN A 43 12.816 9.090 -3.703 1.00 18.41 H new ATOM 0 HB2 GLN A 43 11.745 11.457 -4.886 1.00 21.00 H new ATOM 0 HB3 GLN A 43 12.738 10.544 -5.669 1.00 21.00 H new ATOM 0 HG2 GLN A 43 11.196 9.079 -6.170 1.00 28.11 H new ATOM 0 HG3 GLN A 43 10.507 9.190 -4.775 1.00 28.11 H new ATOM 0 HE21 GLN A 43 8.438 9.904 -4.915 1.00 34.43 H new ATOM 0 HE22 GLN A 43 7.914 10.927 -5.862 1.00 34.43 H new ATOM 343 N ASN A 44 14.985 10.163 -4.032 1.00 26.97 N ATOM 344 CA ASN A 44 16.326 10.697 -3.934 1.00 31.23 C ATOM 345 C ASN A 44 16.783 10.731 -5.369 1.00 32.97 C ATOM 346 O ASN A 44 16.079 10.259 -6.260 1.00 30.38 O ATOM 347 CB ASN A 44 17.223 9.751 -3.156 1.00 34.95 C ATOM 348 CG ASN A 44 16.666 9.421 -1.810 1.00 43.25 C ATOM 349 OD1 ASN A 44 16.645 10.264 -0.917 1.00 50.07 O ATOM 350 ND2 ASN A 44 16.154 8.204 -1.660 1.00 48.54 N ATOM 0 H ASN A 44 14.924 9.454 -4.515 1.00 26.97 H new ATOM 0 HA ASN A 44 16.355 11.556 -3.484 1.00 31.23 H new ATOM 0 HB2 ASN A 44 17.344 8.933 -3.663 1.00 34.95 H new ATOM 0 HB3 ASN A 44 18.100 10.152 -3.051 1.00 34.95 H new ATOM 0 HD21 ASN A 44 15.789 7.980 -0.914 1.00 48.54 H new ATOM 0 HD22 ASN A 44 16.188 7.640 -2.309 1.00 48.54 H new ATOM 351 N ASN A 45 17.953 11.297 -5.608 1.00 38.29 N ATOM 352 CA ASN A 45 18.474 11.333 -6.964 1.00 43.62 C ATOM 353 C ASN A 45 18.597 9.870 -7.412 1.00 44.26 C ATOM 354 O ASN A 45 18.035 9.467 -8.432 1.00 47.49 O ATOM 355 CB ASN A 45 19.852 12.009 -6.975 1.00 47.21 C ATOM 356 CG ASN A 45 20.838 11.345 -6.008 1.00 54.24 C ATOM 357 OD1 ASN A 45 20.559 11.220 -4.806 1.00 55.14 O ATOM 358 ND2 ASN A 45 21.964 10.863 -6.538 1.00 55.27 N ATOM 0 H ASN A 45 18.455 11.661 -5.012 1.00 38.29 H new ATOM 0 HA ASN A 45 17.894 11.836 -7.557 1.00 43.62 H new ATOM 0 HB2 ASN A 45 20.216 11.981 -7.874 1.00 47.21 H new ATOM 0 HB3 ASN A 45 19.752 12.945 -6.739 1.00 47.21 H new ATOM 0 HD21 ASN A 45 22.529 10.447 -6.041 1.00 55.27 H new ATOM 0 HD22 ASN A 45 22.124 10.969 -7.376 1.00 55.27 H new ATOM 359 N ASP A 46 19.213 9.069 -6.548 1.00 42.21 N ATOM 360 CA ASP A 46 19.480 7.655 -6.784 1.00 43.35 C ATOM 361 C ASP A 46 18.326 6.640 -6.592 1.00 41.58 C ATOM 362 O ASP A 46 18.049 5.831 -7.483 1.00 42.80 O ATOM 363 CB ASP A 46 20.704 7.232 -5.944 1.00 44.65 C ATOM 364 CG ASP A 46 20.492 7.437 -4.436 1.00 48.77 C ATOM 365 OD1 ASP A 46 20.081 8.543 -4.006 1.00 50.20 O ATOM 366 OD2 ASP A 46 20.737 6.481 -3.668 1.00 49.63 O ATOM 0 H ASP A 46 19.496 9.343 -5.784 1.00 42.21 H new ATOM 0 HA ASP A 46 19.636 7.609 -7.740 1.00 43.35 H new ATOM 0 HB2 ASP A 46 20.901 6.298 -6.115 1.00 44.65 H new ATOM 0 HB3 ASP A 46 21.478 7.741 -6.230 1.00 44.65 H new ATOM 367 N SER A 47 17.648 6.683 -5.448 1.00 37.39 N ATOM 368 CA SER A 47 16.584 5.721 -5.171 1.00 29.79 C ATOM 369 C SER A 47 15.237 6.286 -4.728 1.00 24.72 C ATOM 370 O SER A 47 15.012 7.486 -4.727 1.00 21.79 O ATOM 371 CB SER A 47 17.080 4.733 -4.117 1.00 30.43 C ATOM 372 OG SER A 47 17.496 5.426 -2.951 1.00 30.38 O ATOM 0 H SER A 47 17.787 7.257 -4.823 1.00 37.39 H new ATOM 0 HA SER A 47 16.399 5.307 -6.028 1.00 29.79 H new ATOM 0 HB2 SER A 47 16.374 4.106 -3.894 1.00 30.43 H new ATOM 0 HB3 SER A 47 17.818 4.214 -4.473 1.00 30.43 H new ATOM 0 HG SER A 47 17.765 4.874 -2.378 1.00 30.38 H new ATOM 373 N THR A 48 14.344 5.379 -4.369 1.00 22.64 N ATOM 374 CA THR A 48 13.013 5.697 -3.887 1.00 20.39 C ATOM 375 C THR A 48 12.788 4.736 -2.715 1.00 18.89 C ATOM 376 O THR A 48 13.326 3.618 -2.717 1.00 17.27 O ATOM 377 CB THR A 48 11.971 5.487 -4.986 1.00 18.35 C ATOM 378 OG1 THR A 48 12.279 6.361 -6.069 1.00 21.37 O ATOM 379 CG2 THR A 48 10.573 5.806 -4.490 1.00 17.52 C ATOM 0 H THR A 48 14.501 4.534 -4.400 1.00 22.64 H new ATOM 0 HA THR A 48 12.929 6.625 -3.617 1.00 20.39 H new ATOM 0 HB THR A 48 11.994 4.558 -5.263 1.00 18.35 H new ATOM 0 HG1 THR A 48 12.638 5.923 -6.689 1.00 21.37 H new ATOM 0 HG21 THR A 48 9.935 5.664 -5.207 1.00 17.52 H new ATOM 0 HG22 THR A 48 10.354 5.227 -3.743 1.00 17.52 H new ATOM 0 HG23 THR A 48 10.535 6.732 -4.202 1.00 17.52 H new ATOM 380 N GLU A 49 12.056 5.195 -1.701 1.00 16.02 N ATOM 381 CA GLU A 49 11.792 4.409 -0.506 1.00 12.39 C ATOM 382 C GLU A 49 10.319 4.327 -0.309 1.00 11.88 C ATOM 383 O GLU A 49 9.616 5.333 -0.437 1.00 12.97 O ATOM 384 CB GLU A 49 12.462 5.046 0.682 1.00 15.56 C ATOM 385 CG GLU A 49 13.954 4.850 0.664 1.00 28.65 C ATOM 386 CD GLU A 49 14.667 5.961 1.370 1.00 34.97 C ATOM 387 OE1 GLU A 49 14.739 7.045 0.745 1.00 40.72 O ATOM 388 OE2 GLU A 49 15.133 5.763 2.530 1.00 36.01 O ATOM 0 H GLU A 49 11.698 5.977 -1.691 1.00 16.02 H new ATOM 0 HA GLU A 49 12.150 3.513 -0.605 1.00 12.39 H new ATOM 0 HB2 GLU A 49 12.262 5.995 0.694 1.00 15.56 H new ATOM 0 HB3 GLU A 49 12.097 4.669 1.498 1.00 15.56 H new ATOM 0 HG2 GLU A 49 14.175 4.004 1.085 1.00 28.65 H new ATOM 0 HG3 GLU A 49 14.263 4.799 -0.254 1.00 28.65 H new ATOM 389 N TYR A 50 9.864 3.136 0.069 1.00 6.14 N ATOM 390 CA TYR A 50 8.453 2.864 0.187 1.00 3.75 C ATOM 391 C TYR A 50 7.839 2.531 1.497 1.00 4.44 C ATOM 392 O TYR A 50 8.392 1.757 2.288 1.00 5.53 O ATOM 393 CB TYR A 50 8.087 1.732 -0.756 1.00 6.27 C ATOM 394 CG TYR A 50 8.367 2.034 -2.195 1.00 4.10 C ATOM 395 CD1 TYR A 50 9.654 1.956 -2.688 1.00 4.46 C ATOM 396 CD2 TYR A 50 7.333 2.378 -3.068 1.00 7.89 C ATOM 397 CE1 TYR A 50 9.920 2.207 -4.013 1.00 5.74 C ATOM 398 CE2 TYR A 50 7.585 2.626 -4.410 1.00 2.00 C ATOM 399 CZ TYR A 50 8.883 2.533 -4.862 1.00 5.79 C ATOM 400 OH TYR A 50 9.155 2.717 -6.192 1.00 16.26 O ATOM 0 H TYR A 50 10.371 2.469 0.262 1.00 6.14 H new ATOM 0 HA TYR A 50 8.090 3.741 -0.014 1.00 3.75 H new ATOM 0 HB2 TYR A 50 8.578 0.936 -0.499 1.00 6.27 H new ATOM 0 HB3 TYR A 50 7.144 1.529 -0.654 1.00 6.27 H new ATOM 0 HD1 TYR A 50 10.351 1.730 -2.115 1.00 4.46 H new ATOM 0 HD2 TYR A 50 6.463 2.442 -2.746 1.00 7.89 H new ATOM 0 HE1 TYR A 50 10.791 2.157 -4.334 1.00 5.74 H new ATOM 0 HE2 TYR A 50 6.894 2.850 -4.991 1.00 2.00 H new ATOM 0 HH TYR A 50 9.003 2.005 -6.610 1.00 16.26 H new ATOM 401 N GLY A 51 6.600 2.999 1.598 1.00 2.00 N ATOM 402 CA GLY A 51 5.746 2.796 2.742 1.00 2.00 C ATOM 403 C GLY A 51 6.229 3.154 4.121 1.00 4.19 C ATOM 404 O GLY A 51 7.189 3.891 4.302 1.00 9.80 O ATOM 0 H GLY A 51 6.227 3.460 0.975 1.00 2.00 H new ATOM 0 HA2 GLY A 51 4.930 3.297 2.584 1.00 2.00 H new ATOM 0 HA3 GLY A 51 5.504 1.857 2.757 1.00 2.00 H new ATOM 405 N LEU A 52 5.521 2.598 5.097 1.00 4.59 N ATOM 406 CA LEU A 52 5.789 2.775 6.512 1.00 7.00 C ATOM 407 C LEU A 52 7.257 2.568 6.931 1.00 6.69 C ATOM 408 O LEU A 52 7.767 3.272 7.788 1.00 11.01 O ATOM 409 CB LEU A 52 4.903 1.782 7.280 1.00 8.02 C ATOM 410 CG LEU A 52 4.779 1.900 8.800 1.00 9.80 C ATOM 411 CD1 LEU A 52 3.651 2.858 9.135 1.00 4.82 C ATOM 412 CD2 LEU A 52 4.500 0.540 9.419 1.00 10.07 C ATOM 0 H LEU A 52 4.846 2.088 4.944 1.00 4.59 H new ATOM 0 HA LEU A 52 5.592 3.702 6.721 1.00 7.00 H new ATOM 0 HB2 LEU A 52 4.009 1.845 6.910 1.00 8.02 H new ATOM 0 HB3 LEU A 52 5.229 0.890 7.084 1.00 8.02 H new ATOM 0 HG LEU A 52 5.614 2.236 9.161 1.00 9.80 H new ATOM 0 HD11 LEU A 52 3.568 2.936 10.098 1.00 4.82 H new ATOM 0 HD12 LEU A 52 3.843 3.730 8.755 1.00 4.82 H new ATOM 0 HD13 LEU A 52 2.820 2.521 8.766 1.00 4.82 H new ATOM 0 HD21 LEU A 52 4.424 0.632 10.382 1.00 10.07 H new ATOM 0 HD22 LEU A 52 3.670 0.186 9.062 1.00 10.07 H new ATOM 0 HD23 LEU A 52 5.227 -0.067 9.209 1.00 10.07 H new ATOM 413 N PHE A 53 7.922 1.577 6.348 1.00 9.35 N ATOM 414 CA PHE A 53 9.305 1.254 6.707 1.00 7.06 C ATOM 415 C PHE A 53 10.330 1.838 5.780 1.00 6.41 C ATOM 416 O PHE A 53 11.506 1.531 5.900 1.00 6.30 O ATOM 417 CB PHE A 53 9.481 -0.269 6.770 1.00 7.52 C ATOM 418 CG PHE A 53 8.902 -0.873 8.011 1.00 10.70 C ATOM 419 CD1 PHE A 53 9.417 -0.534 9.262 1.00 10.85 C ATOM 420 CD2 PHE A 53 7.795 -1.715 7.947 1.00 11.13 C ATOM 421 CE1 PHE A 53 8.831 -1.025 10.429 1.00 13.33 C ATOM 422 CE2 PHE A 53 7.198 -2.214 9.109 1.00 9.57 C ATOM 423 CZ PHE A 53 7.719 -1.868 10.345 1.00 10.35 C ATOM 0 H PHE A 53 7.589 1.073 5.736 1.00 9.35 H new ATOM 0 HA PHE A 53 9.459 1.658 7.575 1.00 7.06 H new ATOM 0 HB2 PHE A 53 9.060 -0.671 5.994 1.00 7.52 H new ATOM 0 HB3 PHE A 53 10.426 -0.483 6.723 1.00 7.52 H new ATOM 0 HD1 PHE A 53 10.158 0.025 9.319 1.00 10.85 H new ATOM 0 HD2 PHE A 53 7.447 -1.950 7.117 1.00 11.13 H new ATOM 0 HE1 PHE A 53 9.179 -0.792 11.260 1.00 13.33 H new ATOM 0 HE2 PHE A 53 6.457 -2.774 9.052 1.00 9.57 H new ATOM 0 HZ PHE A 53 7.328 -2.198 11.122 1.00 10.35 H new ATOM 424 N GLN A 54 9.871 2.665 4.853 1.00 5.23 N ATOM 425 CA GLN A 54 10.731 3.281 3.855 1.00 6.64 C ATOM 426 C GLN A 54 11.757 2.314 3.263 1.00 4.68 C ATOM 427 O GLN A 54 12.964 2.541 3.345 1.00 3.07 O ATOM 428 CB GLN A 54 11.383 4.534 4.416 1.00 4.22 C ATOM 429 CG GLN A 54 10.384 5.666 4.664 1.00 4.16 C ATOM 430 CD GLN A 54 9.810 6.266 3.392 1.00 2.99 C ATOM 431 OE1 GLN A 54 10.406 7.157 2.788 1.00 5.42 O ATOM 432 NE2 GLN A 54 8.635 5.815 3.005 1.00 2.00 N ATOM 0 H GLN A 54 9.043 2.887 4.785 1.00 5.23 H new ATOM 0 HA GLN A 54 10.165 3.539 3.111 1.00 6.64 H new ATOM 0 HB2 GLN A 54 11.830 4.315 5.249 1.00 4.22 H new ATOM 0 HB3 GLN A 54 12.066 4.841 3.800 1.00 4.22 H new ATOM 0 HG2 GLN A 54 9.656 5.330 5.210 1.00 4.16 H new ATOM 0 HG3 GLN A 54 10.821 6.366 5.173 1.00 4.16 H new ATOM 0 HE21 GLN A 54 8.246 5.191 3.451 1.00 2.00 H new ATOM 0 HE22 GLN A 54 8.257 6.145 2.307 1.00 2.00 H new ATOM 433 N ILE A 55 11.253 1.254 2.619 1.00 5.64 N ATOM 434 CA ILE A 55 12.098 0.241 2.011 1.00 6.96 C ATOM 435 C ILE A 55 12.592 0.694 0.620 1.00 8.75 C ATOM 436 O ILE A 55 11.786 1.038 -0.237 1.00 10.91 O ATOM 437 CB ILE A 55 11.382 -1.159 2.002 1.00 6.04 C ATOM 438 CG1 ILE A 55 11.044 -1.558 3.450 1.00 2.00 C ATOM 439 CG2 ILE A 55 12.352 -2.233 1.489 1.00 2.00 C ATOM 440 CD1 ILE A 55 9.927 -2.625 3.649 1.00 2.00 C ATOM 0 H ILE A 55 10.410 1.110 2.527 1.00 5.64 H new ATOM 0 HA ILE A 55 12.895 0.129 2.553 1.00 6.96 H new ATOM 0 HB ILE A 55 10.591 -1.097 1.444 1.00 6.04 H new ATOM 0 HG12 ILE A 55 11.854 -1.889 3.868 1.00 2.00 H new ATOM 0 HG13 ILE A 55 10.784 -0.756 3.930 1.00 2.00 H new ATOM 0 HG21 ILE A 55 11.908 -3.095 1.485 1.00 2.00 H new ATOM 0 HG22 ILE A 55 12.634 -2.011 0.588 1.00 2.00 H new ATOM 0 HG23 ILE A 55 13.128 -2.273 2.070 1.00 2.00 H new ATOM 0 HD11 ILE A 55 9.805 -2.793 4.597 1.00 2.00 H new ATOM 0 HD12 ILE A 55 9.096 -2.299 3.269 1.00 2.00 H new ATOM 0 HD13 ILE A 55 10.183 -3.449 3.206 1.00 2.00 H new ATOM 441 N ASN A 56 13.910 0.739 0.420 1.00 7.33 N ATOM 442 CA ASN A 56 14.472 1.207 -0.844 1.00 12.03 C ATOM 443 C ASN A 56 14.542 0.219 -2.021 1.00 12.68 C ATOM 444 O ASN A 56 14.711 -0.991 -1.830 1.00 9.53 O ATOM 445 CB ASN A 56 15.825 1.932 -0.623 1.00 11.83 C ATOM 446 CG ASN A 56 16.974 0.988 -0.301 1.00 18.52 C ATOM 447 OD1 ASN A 56 17.179 0.001 -0.991 1.00 28.10 O ATOM 448 ND2 ASN A 56 17.764 1.321 0.709 1.00 18.35 N ATOM 0 H ASN A 56 14.495 0.503 1.005 1.00 7.33 H new ATOM 0 HA ASN A 56 13.798 1.833 -1.151 1.00 12.03 H new ATOM 0 HB2 ASN A 56 16.046 2.439 -1.420 1.00 11.83 H new ATOM 0 HB3 ASN A 56 15.727 2.570 0.101 1.00 11.83 H new ATOM 0 HD21 ASN A 56 18.448 0.836 0.898 1.00 18.35 H new ATOM 0 HD22 ASN A 56 17.592 2.023 1.176 1.00 18.35 H new ATOM 449 N ASN A 57 14.500 0.777 -3.237 1.00 12.35 N ATOM 450 CA ASN A 57 14.526 0.024 -4.496 1.00 11.72 C ATOM 451 C ASN A 57 15.903 -0.208 -5.096 1.00 13.84 C ATOM 452 O ASN A 57 16.025 -0.420 -6.293 1.00 18.06 O ATOM 453 CB ASN A 57 13.628 0.690 -5.559 1.00 6.66 C ATOM 454 CG ASN A 57 14.195 2.013 -6.065 1.00 11.33 C ATOM 455 OD1 ASN A 57 15.070 2.615 -5.436 1.00 10.89 O ATOM 456 ND2 ASN A 57 13.727 2.451 -7.213 1.00 9.38 N ATOM 0 H ASN A 57 14.454 1.628 -3.354 1.00 12.35 H new ATOM 0 HA ASN A 57 14.188 -0.850 -4.247 1.00 11.72 H new ATOM 0 HB2 ASN A 57 13.515 0.083 -6.308 1.00 6.66 H new ATOM 0 HB3 ASN A 57 12.747 0.843 -5.183 1.00 6.66 H new ATOM 0 HD21 ASN A 57 14.031 3.181 -7.551 1.00 9.38 H new ATOM 0 HD22 ASN A 57 13.117 2.007 -7.626 1.00 9.38 H new ATOM 457 N LYS A 58 16.951 -0.138 -4.295 1.00 16.71 N ATOM 458 CA LYS A 58 18.273 -0.384 -4.842 1.00 21.47 C ATOM 459 C LYS A 58 18.844 -1.679 -4.260 1.00 23.35 C ATOM 460 O LYS A 58 19.758 -2.287 -4.830 1.00 26.73 O ATOM 461 CB LYS A 58 19.218 0.802 -4.566 1.00 26.54 C ATOM 462 CG LYS A 58 19.428 1.139 -3.095 1.00 37.23 C ATOM 463 CD LYS A 58 19.955 2.569 -2.855 1.00 40.55 C ATOM 464 CE LYS A 58 19.886 2.929 -1.354 1.00 42.67 C ATOM 465 NZ LYS A 58 20.379 4.297 -0.987 1.00 40.25 N ATOM 0 H LYS A 58 16.923 0.045 -3.455 1.00 16.71 H new ATOM 0 HA LYS A 58 18.195 -0.479 -5.804 1.00 21.47 H new ATOM 0 HB2 LYS A 58 20.081 0.608 -4.965 1.00 26.54 H new ATOM 0 HB3 LYS A 58 18.868 1.587 -5.016 1.00 26.54 H new ATOM 0 HG2 LYS A 58 18.588 1.029 -2.623 1.00 37.23 H new ATOM 0 HG3 LYS A 58 20.053 0.504 -2.712 1.00 37.23 H new ATOM 0 HD2 LYS A 58 20.871 2.638 -3.168 1.00 40.55 H new ATOM 0 HD3 LYS A 58 19.431 3.203 -3.369 1.00 40.55 H new ATOM 0 HE2 LYS A 58 18.965 2.846 -1.061 1.00 42.67 H new ATOM 0 HE3 LYS A 58 20.401 2.274 -0.858 1.00 42.67 H new ATOM 0 HZ1 LYS A 58 20.302 4.415 -0.108 1.00 40.25 H new ATOM 0 HZ2 LYS A 58 21.233 4.378 -1.223 1.00 40.25 H new ATOM 0 HZ3 LYS A 58 19.895 4.911 -1.412 1.00 40.25 H new ATOM 466 N ILE A 59 18.230 -2.160 -3.185 1.00 18.65 N ATOM 467 CA ILE A 59 18.727 -3.341 -2.520 1.00 17.21 C ATOM 468 C ILE A 59 17.623 -4.290 -2.082 1.00 16.06 C ATOM 469 O ILE A 59 17.788 -5.519 -2.184 1.00 18.34 O ATOM 470 CB ILE A 59 19.557 -2.910 -1.241 1.00 19.01 C ATOM 471 CG1 ILE A 59 20.780 -2.101 -1.648 1.00 22.59 C ATOM 472 CG2 ILE A 59 20.055 -4.100 -0.444 1.00 16.70 C ATOM 473 CD1 ILE A 59 21.724 -2.862 -2.563 1.00 24.35 C ATOM 0 H ILE A 59 17.527 -1.814 -2.831 1.00 18.65 H new ATOM 0 HA ILE A 59 19.280 -3.812 -3.162 1.00 17.21 H new ATOM 0 HB ILE A 59 18.951 -2.387 -0.694 1.00 19.01 H new ATOM 0 HG12 ILE A 59 20.490 -1.290 -2.094 1.00 22.59 H new ATOM 0 HG13 ILE A 59 21.261 -1.829 -0.851 1.00 22.59 H new ATOM 0 HG21 ILE A 59 20.555 -3.787 0.326 1.00 16.70 H new ATOM 0 HG22 ILE A 59 19.299 -4.629 -0.145 1.00 16.70 H new ATOM 0 HG23 ILE A 59 20.630 -4.646 -1.003 1.00 16.70 H new ATOM 0 HD11 ILE A 59 22.481 -2.299 -2.788 1.00 24.35 H new ATOM 0 HD12 ILE A 59 22.039 -3.661 -2.112 1.00 24.35 H new ATOM 0 HD13 ILE A 59 21.256 -3.113 -3.375 1.00 24.35 H new ATOM 474 N TRP A 60 16.476 -3.722 -1.700 1.00 11.29 N ATOM 475 CA TRP A 60 15.376 -4.489 -1.107 1.00 8.44 C ATOM 476 C TRP A 60 14.169 -4.947 -1.884 1.00 10.33 C ATOM 477 O TRP A 60 13.651 -6.031 -1.591 1.00 9.89 O ATOM 478 CB TRP A 60 14.915 -3.793 0.185 1.00 5.42 C ATOM 479 CG TRP A 60 16.045 -3.525 1.134 1.00 3.36 C ATOM 480 CD1 TRP A 60 16.695 -2.341 1.315 1.00 2.00 C ATOM 481 CD2 TRP A 60 16.734 -4.491 1.955 1.00 2.00 C ATOM 482 NE1 TRP A 60 17.756 -2.511 2.184 1.00 4.09 N ATOM 483 CE2 TRP A 60 17.800 -3.818 2.588 1.00 2.29 C ATOM 484 CE3 TRP A 60 16.555 -5.855 2.197 1.00 2.00 C ATOM 485 CZ2 TRP A 60 18.692 -4.466 3.456 1.00 3.85 C ATOM 486 CZ3 TRP A 60 17.435 -6.494 3.054 1.00 3.23 C ATOM 487 CH2 TRP A 60 18.499 -5.800 3.677 1.00 2.00 C ATOM 0 H TRP A 60 16.314 -2.881 -1.777 1.00 11.29 H new ATOM 0 HA TRP A 60 15.822 -5.344 -1.005 1.00 8.44 H new ATOM 0 HB2 TRP A 60 14.482 -2.955 -0.041 1.00 5.42 H new ATOM 0 HB3 TRP A 60 14.251 -4.346 0.626 1.00 5.42 H new ATOM 0 HD1 TRP A 60 16.459 -1.536 0.913 1.00 2.00 H new ATOM 0 HE1 TRP A 60 18.302 -1.894 2.431 1.00 4.09 H new ATOM 0 HE3 TRP A 60 15.861 -6.323 1.792 1.00 2.00 H new ATOM 0 HZ2 TRP A 60 19.388 -4.005 3.865 1.00 3.85 H new ATOM 0 HZ3 TRP A 60 17.324 -7.402 3.224 1.00 3.23 H new ATOM 0 HH2 TRP A 60 19.075 -6.259 4.245 1.00 2.00 H new ATOM 488 N CYS A 61 13.649 -4.103 -2.779 1.00 11.42 N ATOM 489 CA CYS A 61 12.482 -4.468 -3.599 1.00 12.96 C ATOM 490 C CYS A 61 12.732 -3.987 -5.020 1.00 13.81 C ATOM 491 O CYS A 61 13.619 -3.166 -5.251 1.00 14.05 O ATOM 492 CB CYS A 61 11.191 -3.876 -3.035 1.00 10.60 C ATOM 493 SG CYS A 61 11.254 -2.065 -2.898 1.00 12.18 S ATOM 0 H CYS A 61 13.955 -3.313 -2.929 1.00 11.42 H new ATOM 0 HA CYS A 61 12.368 -5.431 -3.591 1.00 12.96 H new ATOM 0 HB2 CYS A 61 10.448 -4.128 -3.605 1.00 10.60 H new ATOM 0 HB3 CYS A 61 11.020 -4.257 -2.160 1.00 10.60 H new ATOM 494 N LYS A 62 11.985 -4.542 -5.966 1.00 15.62 N ATOM 495 CA LYS A 62 12.123 -4.245 -7.405 1.00 18.29 C ATOM 496 C LYS A 62 11.167 -3.169 -7.898 1.00 15.22 C ATOM 497 O LYS A 62 9.959 -3.235 -7.669 1.00 11.47 O ATOM 498 CB LYS A 62 11.929 -5.541 -8.206 1.00 21.61 C ATOM 499 CG LYS A 62 12.286 -5.494 -9.667 1.00 31.67 C ATOM 500 CD LYS A 62 12.051 -6.878 -10.289 1.00 39.43 C ATOM 501 CE LYS A 62 12.316 -6.911 -11.805 1.00 44.14 C ATOM 502 NZ LYS A 62 12.153 -8.287 -12.396 1.00 46.49 N ATOM 0 H LYS A 62 11.368 -5.116 -5.795 1.00 15.62 H new ATOM 0 HA LYS A 62 13.015 -3.890 -7.541 1.00 18.29 H new ATOM 0 HB2 LYS A 62 12.459 -6.238 -7.787 1.00 21.61 H new ATOM 0 HB3 LYS A 62 10.999 -5.807 -8.130 1.00 21.61 H new ATOM 0 HG2 LYS A 62 11.747 -4.828 -10.121 1.00 31.67 H new ATOM 0 HG3 LYS A 62 13.213 -5.232 -9.776 1.00 31.67 H new ATOM 0 HD2 LYS A 62 12.626 -7.525 -9.851 1.00 39.43 H new ATOM 0 HD3 LYS A 62 11.136 -7.152 -10.120 1.00 39.43 H new ATOM 0 HE2 LYS A 62 11.708 -6.299 -12.249 1.00 44.14 H new ATOM 0 HE3 LYS A 62 13.216 -6.593 -11.979 1.00 44.14 H new ATOM 0 HZ1 LYS A 62 12.316 -8.256 -13.270 1.00 46.49 H new ATOM 0 HZ2 LYS A 62 12.726 -8.847 -12.008 1.00 46.49 H new ATOM 0 HZ3 LYS A 62 11.321 -8.572 -12.259 1.00 46.49 H new ATOM 503 N ASP A 63 11.725 -2.254 -8.682 1.00 20.07 N ATOM 504 CA ASP A 63 11.046 -1.066 -9.240 1.00 21.39 C ATOM 505 C ASP A 63 11.195 -0.984 -10.771 1.00 20.39 C ATOM 506 O ASP A 63 12.099 -1.588 -11.342 1.00 21.63 O ATOM 507 CB ASP A 63 11.800 0.165 -8.680 1.00 21.83 C ATOM 508 CG ASP A 63 10.892 1.241 -8.180 1.00 22.81 C ATOM 509 OD1 ASP A 63 9.709 0.956 -7.890 1.00 26.51 O ATOM 510 OD2 ASP A 63 11.372 2.380 -8.053 1.00 25.19 O ATOM 0 H ASP A 63 12.550 -2.303 -8.920 1.00 20.07 H new ATOM 0 HA ASP A 63 10.104 -1.106 -9.010 1.00 21.39 H new ATOM 0 HB2 ASP A 63 12.380 -0.121 -7.957 1.00 21.83 H new ATOM 0 HB3 ASP A 63 12.371 0.530 -9.374 1.00 21.83 H new ATOM 511 N ASP A 64 10.376 -0.162 -11.416 1.00 19.92 N ATOM 512 CA ASP A 64 10.523 0.064 -12.859 1.00 24.38 C ATOM 513 C ASP A 64 11.683 1.036 -12.993 1.00 23.21 C ATOM 514 O ASP A 64 12.401 1.049 -13.984 1.00 27.51 O ATOM 515 CB ASP A 64 9.286 0.731 -13.460 1.00 31.19 C ATOM 516 CG ASP A 64 8.151 -0.248 -13.714 1.00 36.63 C ATOM 517 OD1 ASP A 64 8.394 -1.474 -13.804 1.00 43.23 O ATOM 518 OD2 ASP A 64 7.002 0.223 -13.850 1.00 41.47 O ATOM 0 H ASP A 64 9.733 0.273 -11.046 1.00 19.92 H new ATOM 0 HA ASP A 64 10.657 -0.780 -13.318 1.00 24.38 H new ATOM 0 HB2 ASP A 64 8.977 1.429 -12.861 1.00 31.19 H new ATOM 0 HB3 ASP A 64 9.529 1.161 -14.295 1.00 31.19 H new ATOM 519 N GLN A 65 11.824 1.884 -11.987 1.00 21.84 N ATOM 520 CA GLN A 65 12.873 2.870 -11.952 1.00 23.10 C ATOM 521 C GLN A 65 14.184 2.126 -11.949 1.00 24.00 C ATOM 522 O GLN A 65 15.158 2.547 -12.550 1.00 23.94 O ATOM 523 CB GLN A 65 12.757 3.705 -10.674 1.00 26.09 C ATOM 524 CG GLN A 65 13.892 4.721 -10.485 1.00 36.69 C ATOM 525 CD GLN A 65 14.030 5.222 -9.045 1.00 40.44 C ATOM 526 OE1 GLN A 65 13.036 5.428 -8.349 1.00 43.10 O ATOM 527 NE2 GLN A 65 15.268 5.385 -8.590 1.00 40.98 N ATOM 0 H GLN A 65 11.305 1.899 -11.301 1.00 21.84 H new ATOM 0 HA GLN A 65 12.811 3.465 -12.716 1.00 23.10 H new ATOM 0 HB2 GLN A 65 11.910 4.178 -10.684 1.00 26.09 H new ATOM 0 HB3 GLN A 65 12.739 3.108 -9.910 1.00 26.09 H new ATOM 0 HG2 GLN A 65 14.729 4.315 -10.760 1.00 36.69 H new ATOM 0 HG3 GLN A 65 13.739 5.479 -11.070 1.00 36.69 H new ATOM 0 HE21 GLN A 65 15.939 5.231 -9.105 1.00 40.98 H new ATOM 0 HE22 GLN A 65 15.398 5.644 -7.780 1.00 40.98 H new ATOM 528 N ASN A 66 14.196 0.999 -11.261 1.00 30.51 N ATOM 529 CA ASN A 66 15.402 0.194 -11.149 1.00 33.73 C ATOM 530 C ASN A 66 15.069 -1.299 -11.135 1.00 32.92 C ATOM 531 O ASN A 66 14.628 -1.853 -10.127 1.00 31.16 O ATOM 532 CB ASN A 66 16.168 0.596 -9.891 1.00 35.20 C ATOM 533 CG ASN A 66 17.469 -0.112 -9.772 1.00 38.14 C ATOM 534 OD1 ASN A 66 17.846 -0.880 -10.661 1.00 43.08 O ATOM 535 ND2 ASN A 66 18.173 0.120 -8.672 1.00 36.49 N ATOM 0 H ASN A 66 13.513 0.679 -10.848 1.00 30.51 H new ATOM 0 HA ASN A 66 15.961 0.357 -11.925 1.00 33.73 H new ATOM 0 HB2 ASN A 66 16.323 1.553 -9.901 1.00 35.20 H new ATOM 0 HB3 ASN A 66 15.626 0.405 -9.110 1.00 35.20 H new ATOM 0 HD21 ASN A 66 18.929 -0.273 -8.554 1.00 36.49 H new ATOM 0 HD22 ASN A 66 17.874 0.663 -8.076 1.00 36.49 H new ATOM 536 N PRO A 67 15.176 -1.938 -12.300 1.00 34.30 N ATOM 537 CA PRO A 67 14.899 -3.359 -12.467 1.00 38.33 C ATOM 538 C PRO A 67 16.127 -4.134 -12.006 1.00 40.89 C ATOM 539 O PRO A 67 16.030 -5.298 -11.598 1.00 43.08 O ATOM 540 CB PRO A 67 14.705 -3.496 -13.984 1.00 39.71 C ATOM 541 CG PRO A 67 14.467 -2.086 -14.466 1.00 36.18 C ATOM 542 CD PRO A 67 15.409 -1.312 -13.606 1.00 36.64 C ATOM 0 HA PRO A 67 14.137 -3.690 -11.967 1.00 38.33 H new ATOM 0 HB2 PRO A 67 15.487 -3.886 -14.406 1.00 39.71 H new ATOM 0 HB3 PRO A 67 13.953 -4.072 -14.193 1.00 39.71 H new ATOM 0 HG2 PRO A 67 14.668 -1.984 -15.410 1.00 36.18 H new ATOM 0 HG3 PRO A 67 13.546 -1.808 -14.340 1.00 36.18 H new ATOM 0 HD2 PRO A 67 16.330 -1.402 -13.897 1.00 36.64 H new ATOM 0 HD3 PRO A 67 15.205 -0.364 -13.600 1.00 36.64 H new ATOM 543 N HIS A 68 17.285 -3.480 -12.065 1.00 40.77 N ATOM 544 CA HIS A 68 18.521 -4.121 -11.641 1.00 42.28 C ATOM 545 C HIS A 68 18.774 -4.112 -10.125 1.00 36.68 C ATOM 546 O HIS A 68 19.925 -4.176 -9.666 1.00 35.81 O ATOM 547 CB HIS A 68 19.722 -3.573 -12.419 1.00 49.75 C ATOM 548 CG HIS A 68 20.075 -4.395 -13.627 1.00 60.48 C ATOM 549 ND1 HIS A 68 20.844 -5.540 -13.551 1.00 63.97 N ATOM 550 CD2 HIS A 68 19.743 -4.254 -14.934 1.00 62.18 C ATOM 551 CE1 HIS A 68 20.970 -6.068 -14.757 1.00 63.88 C ATOM 552 NE2 HIS A 68 20.312 -5.308 -15.613 1.00 63.73 N ATOM 0 H HIS A 68 17.374 -2.672 -12.345 1.00 40.77 H new ATOM 0 HA HIS A 68 18.405 -5.059 -11.860 1.00 42.28 H new ATOM 0 HB2 HIS A 68 19.530 -2.664 -12.699 1.00 49.75 H new ATOM 0 HB3 HIS A 68 20.490 -3.532 -11.828 1.00 49.75 H new ATOM 0 HD2 HIS A 68 19.228 -3.573 -15.303 1.00 62.18 H new ATOM 0 HE1 HIS A 68 21.441 -6.842 -14.966 1.00 63.88 H new ATOM 0 HE2 HIS A 68 20.249 -5.449 -16.459 1.00 63.73 H new ATOM 553 N SER A 69 17.691 -4.040 -9.357 1.00 29.42 N ATOM 554 CA SER A 69 17.775 -4.064 -7.902 1.00 24.70 C ATOM 555 C SER A 69 18.206 -5.471 -7.450 1.00 24.88 C ATOM 556 O SER A 69 17.834 -6.467 -8.088 1.00 22.89 O ATOM 557 CB SER A 69 16.407 -3.768 -7.310 1.00 18.27 C ATOM 558 OG SER A 69 16.354 -4.142 -5.953 1.00 6.93 O ATOM 0 H SER A 69 16.890 -3.976 -9.664 1.00 29.42 H new ATOM 0 HA SER A 69 18.416 -3.400 -7.604 1.00 24.70 H new ATOM 0 HB2 SER A 69 16.211 -2.822 -7.396 1.00 18.27 H new ATOM 0 HB3 SER A 69 15.725 -4.246 -7.808 1.00 18.27 H new ATOM 0 HG SER A 69 15.613 -3.915 -5.628 1.00 6.93 H new ATOM 559 N ARG A 70 18.976 -5.542 -6.359 1.00 21.67 N ATOM 560 CA ARG A 70 19.413 -6.814 -5.792 1.00 19.09 C ATOM 561 C ARG A 70 18.167 -7.576 -5.329 1.00 18.11 C ATOM 562 O ARG A 70 18.158 -8.804 -5.268 1.00 16.95 O ATOM 563 CB ARG A 70 20.400 -6.592 -4.652 1.00 21.39 C ATOM 564 CG ARG A 70 20.618 -7.803 -3.770 1.00 29.71 C ATOM 565 CD ARG A 70 22.063 -7.963 -3.381 1.00 36.19 C ATOM 566 NE ARG A 70 22.829 -8.454 -4.517 1.00 47.01 N ATOM 567 CZ ARG A 70 23.692 -9.461 -4.463 1.00 49.16 C ATOM 568 NH1 ARG A 70 23.916 -10.085 -3.317 1.00 51.51 N ATOM 569 NH2 ARG A 70 24.294 -9.875 -5.568 1.00 52.17 N ATOM 0 H ARG A 70 19.257 -4.852 -5.930 1.00 21.67 H new ATOM 0 HA ARG A 70 19.882 -7.338 -6.460 1.00 19.09 H new ATOM 0 HB2 ARG A 70 21.253 -6.319 -5.025 1.00 21.39 H new ATOM 0 HB3 ARG A 70 20.083 -5.858 -4.103 1.00 21.39 H new ATOM 0 HG2 ARG A 70 20.075 -7.722 -2.970 1.00 29.71 H new ATOM 0 HG3 ARG A 70 20.319 -8.600 -4.236 1.00 29.71 H new ATOM 0 HD2 ARG A 70 22.422 -7.113 -3.082 1.00 36.19 H new ATOM 0 HD3 ARG A 70 22.140 -8.581 -2.637 1.00 36.19 H new ATOM 0 HE ARG A 70 22.715 -8.065 -5.275 1.00 47.01 H new ATOM 0 HH11 ARG A 70 23.502 -9.838 -2.605 1.00 51.51 H new ATOM 0 HH12 ARG A 70 24.476 -10.737 -3.285 1.00 51.51 H new ATOM 0 HH21 ARG A 70 24.125 -9.491 -6.319 1.00 52.17 H new ATOM 0 HH22 ARG A 70 24.853 -10.527 -5.534 1.00 52.17 H new ATOM 570 N ASN A 71 17.119 -6.831 -4.985 1.00 16.66 N ATOM 571 CA ASN A 71 15.837 -7.420 -4.618 1.00 13.38 C ATOM 572 C ASN A 71 15.856 -8.534 -3.560 1.00 12.14 C ATOM 573 O ASN A 71 15.206 -9.575 -3.693 1.00 10.84 O ATOM 574 CB ASN A 71 15.178 -7.908 -5.907 1.00 12.81 C ATOM 575 CG ASN A 71 13.736 -8.253 -5.726 1.00 12.54 C ATOM 576 OD1 ASN A 71 13.058 -7.738 -4.837 1.00 11.99 O ATOM 577 ND2 ASN A 71 13.241 -9.126 -6.579 1.00 17.40 N ATOM 0 H ASN A 71 17.133 -5.972 -4.958 1.00 16.66 H new ATOM 0 HA ASN A 71 15.334 -6.720 -4.173 1.00 13.38 H new ATOM 0 HB2 ASN A 71 15.259 -7.221 -6.587 1.00 12.81 H new ATOM 0 HB3 ASN A 71 15.654 -8.687 -6.234 1.00 12.81 H new ATOM 0 HD21 ASN A 71 12.414 -9.356 -6.527 1.00 17.40 H new ATOM 0 HD22 ASN A 71 13.745 -9.466 -7.188 1.00 17.40 H new ATOM 578 N ILE A 72 16.545 -8.282 -2.465 1.00 12.54 N ATOM 579 CA ILE A 72 16.620 -9.263 -1.402 1.00 10.12 C ATOM 580 C ILE A 72 15.243 -9.696 -0.905 1.00 11.14 C ATOM 581 O ILE A 72 15.000 -10.887 -0.682 1.00 11.07 O ATOM 582 CB ILE A 72 17.482 -8.740 -0.248 1.00 9.49 C ATOM 583 CG1 ILE A 72 18.932 -8.619 -0.699 1.00 11.17 C ATOM 584 CG2 ILE A 72 17.367 -9.651 0.944 1.00 10.48 C ATOM 585 CD1 ILE A 72 19.843 -7.911 0.306 1.00 16.46 C ATOM 0 H ILE A 72 16.975 -7.552 -2.317 1.00 12.54 H new ATOM 0 HA ILE A 72 17.041 -10.054 -1.773 1.00 10.12 H new ATOM 0 HB ILE A 72 17.165 -7.861 0.012 1.00 9.49 H new ATOM 0 HG12 ILE A 72 19.283 -9.507 -0.869 1.00 11.17 H new ATOM 0 HG13 ILE A 72 18.960 -8.138 -1.541 1.00 11.17 H new ATOM 0 HG21 ILE A 72 17.917 -9.310 1.667 1.00 10.48 H new ATOM 0 HG22 ILE A 72 16.442 -9.691 1.233 1.00 10.48 H new ATOM 0 HG23 ILE A 72 17.668 -10.541 0.702 1.00 10.48 H new ATOM 0 HD11 ILE A 72 20.746 -7.871 -0.047 1.00 16.46 H new ATOM 0 HD12 ILE A 72 19.517 -7.011 0.460 1.00 16.46 H new ATOM 0 HD13 ILE A 72 19.845 -8.402 1.143 1.00 16.46 H new ATOM 586 N CYS A 73 14.312 -8.757 -0.775 1.00 9.40 N ATOM 587 CA CYS A 73 12.990 -9.129 -0.289 1.00 8.33 C ATOM 588 C CYS A 73 12.127 -9.785 -1.354 1.00 10.08 C ATOM 589 O CYS A 73 10.958 -10.122 -1.116 1.00 8.49 O ATOM 590 CB CYS A 73 12.300 -7.927 0.368 1.00 11.18 C ATOM 591 SG CYS A 73 13.030 -7.509 1.984 1.00 10.06 S ATOM 0 H CYS A 73 14.420 -7.923 -0.957 1.00 9.40 H new ATOM 0 HA CYS A 73 13.114 -9.810 0.391 1.00 8.33 H new ATOM 0 HB2 CYS A 73 12.363 -7.159 -0.221 1.00 11.18 H new ATOM 0 HB3 CYS A 73 11.356 -8.121 0.482 1.00 11.18 H new ATOM 592 N ASN A 74 12.708 -9.934 -2.544 1.00 14.22 N ATOM 593 CA ASN A 74 12.053 -10.577 -3.684 1.00 12.54 C ATOM 594 C ASN A 74 10.605 -10.108 -3.873 1.00 13.54 C ATOM 595 O ASN A 74 9.676 -10.922 -3.987 1.00 18.02 O ATOM 596 CB ASN A 74 12.126 -12.100 -3.483 1.00 13.89 C ATOM 597 CG ASN A 74 11.721 -12.877 -4.703 1.00 14.68 C ATOM 598 OD1 ASN A 74 10.970 -13.844 -4.611 1.00 21.56 O ATOM 599 ND2 ASN A 74 12.229 -12.481 -5.853 1.00 15.01 N ATOM 0 H ASN A 74 13.505 -9.660 -2.714 1.00 14.22 H new ATOM 0 HA ASN A 74 12.517 -10.324 -4.497 1.00 12.54 H new ATOM 0 HB2 ASN A 74 13.032 -12.345 -3.236 1.00 13.89 H new ATOM 0 HB3 ASN A 74 11.553 -12.351 -2.742 1.00 13.89 H new ATOM 0 HD21 ASN A 74 12.037 -12.905 -6.576 1.00 15.01 H new ATOM 0 HD22 ASN A 74 12.752 -11.799 -5.880 1.00 15.01 H new ATOM 600 N ILE A 75 10.411 -8.797 -3.993 1.00 12.02 N ATOM 601 CA ILE A 75 9.056 -8.279 -4.135 1.00 9.01 C ATOM 602 C ILE A 75 9.050 -6.969 -4.904 1.00 11.19 C ATOM 603 O ILE A 75 10.081 -6.307 -5.002 1.00 14.35 O ATOM 604 CB ILE A 75 8.489 -8.002 -2.743 1.00 7.37 C ATOM 605 CG1 ILE A 75 6.979 -7.845 -2.803 1.00 6.76 C ATOM 606 CG2 ILE A 75 9.177 -6.785 -2.157 1.00 3.67 C ATOM 607 CD1 ILE A 75 6.325 -7.773 -1.426 1.00 10.32 C ATOM 0 H ILE A 75 11.034 -8.204 -3.995 1.00 12.02 H new ATOM 0 HA ILE A 75 8.527 -8.936 -4.614 1.00 9.01 H new ATOM 0 HB ILE A 75 8.665 -8.755 -2.157 1.00 7.37 H new ATOM 0 HG12 ILE A 75 6.763 -7.040 -3.299 1.00 6.76 H new ATOM 0 HG13 ILE A 75 6.602 -8.591 -3.295 1.00 6.76 H new ATOM 0 HG21 ILE A 75 8.820 -6.605 -1.273 1.00 3.67 H new ATOM 0 HG22 ILE A 75 10.130 -6.952 -2.092 1.00 3.67 H new ATOM 0 HG23 ILE A 75 9.021 -6.018 -2.730 1.00 3.67 H new ATOM 0 HD11 ILE A 75 5.366 -7.673 -1.528 1.00 10.32 H new ATOM 0 HD12 ILE A 75 6.515 -8.587 -0.934 1.00 10.32 H new ATOM 0 HD13 ILE A 75 6.679 -7.012 -0.939 1.00 10.32 H new ATOM 608 N SER A 76 7.905 -6.582 -5.446 1.00 11.82 N ATOM 609 CA SER A 76 7.838 -5.296 -6.141 1.00 15.64 C ATOM 610 C SER A 76 7.549 -4.255 -5.073 1.00 9.75 C ATOM 611 O SER A 76 6.672 -4.433 -4.227 1.00 10.48 O ATOM 612 CB SER A 76 6.746 -5.268 -7.207 1.00 11.88 C ATOM 613 OG SER A 76 5.498 -5.449 -6.586 1.00 28.14 O ATOM 0 H SER A 76 7.172 -7.031 -5.427 1.00 11.82 H new ATOM 0 HA SER A 76 8.672 -5.126 -6.606 1.00 15.64 H new ATOM 0 HB2 SER A 76 6.764 -4.423 -7.683 1.00 11.88 H new ATOM 0 HB3 SER A 76 6.899 -5.967 -7.862 1.00 11.88 H new ATOM 0 HG SER A 76 5.053 -4.738 -6.638 1.00 28.14 H new ATOM 614 N CYS A 77 8.252 -3.139 -5.161 1.00 9.90 N ATOM 615 CA CYS A 77 8.130 -2.076 -4.186 1.00 10.13 C ATOM 616 C CYS A 77 6.734 -1.593 -3.850 1.00 9.62 C ATOM 617 O CYS A 77 6.480 -1.220 -2.718 1.00 9.11 O ATOM 618 CB CYS A 77 9.019 -0.916 -4.598 1.00 6.87 C ATOM 619 SG CYS A 77 10.764 -1.398 -4.744 1.00 11.27 S ATOM 0 H CYS A 77 8.815 -2.977 -5.791 1.00 9.90 H new ATOM 0 HA CYS A 77 8.420 -2.478 -3.352 1.00 10.13 H new ATOM 0 HB2 CYS A 77 8.712 -0.562 -5.447 1.00 6.87 H new ATOM 0 HB3 CYS A 77 8.937 -0.202 -3.947 1.00 6.87 H new ATOM 620 N ASP A 78 5.816 -1.663 -4.805 1.00 12.06 N ATOM 621 CA ASP A 78 4.461 -1.185 -4.573 1.00 17.46 C ATOM 622 C ASP A 78 3.603 -2.045 -3.671 1.00 17.17 C ATOM 623 O ASP A 78 2.467 -1.686 -3.332 1.00 16.80 O ATOM 624 CB ASP A 78 3.745 -0.817 -5.886 1.00 26.40 C ATOM 625 CG ASP A 78 3.623 -1.973 -6.839 1.00 34.63 C ATOM 626 OD1 ASP A 78 4.651 -2.619 -7.152 1.00 40.07 O ATOM 627 OD2 ASP A 78 2.491 -2.217 -7.297 1.00 39.45 O ATOM 0 H ASP A 78 5.956 -1.982 -5.591 1.00 12.06 H new ATOM 0 HA ASP A 78 4.586 -0.372 -4.059 1.00 17.46 H new ATOM 0 HB2 ASP A 78 2.859 -0.480 -5.681 1.00 26.40 H new ATOM 0 HB3 ASP A 78 4.229 -0.097 -6.320 1.00 26.40 H new ATOM 628 N LYS A 79 4.153 -3.175 -3.250 1.00 17.70 N ATOM 629 CA LYS A 79 3.438 -4.037 -2.313 1.00 17.61 C ATOM 630 C LYS A 79 3.561 -3.397 -0.925 1.00 13.60 C ATOM 631 O LYS A 79 2.888 -3.794 0.032 1.00 14.00 O ATOM 632 CB LYS A 79 4.057 -5.425 -2.306 1.00 22.38 C ATOM 633 CG LYS A 79 3.558 -6.285 -3.420 1.00 21.74 C ATOM 634 CD LYS A 79 2.065 -6.484 -3.283 1.00 21.05 C ATOM 635 CE LYS A 79 1.641 -7.783 -3.947 1.00 26.23 C ATOM 636 NZ LYS A 79 2.207 -7.886 -5.333 1.00 33.12 N ATOM 0 H LYS A 79 4.928 -3.460 -3.489 1.00 17.70 H new ATOM 0 HA LYS A 79 2.507 -4.127 -2.569 1.00 17.61 H new ATOM 0 HB2 LYS A 79 5.021 -5.345 -2.371 1.00 22.38 H new ATOM 0 HB3 LYS A 79 3.865 -5.856 -1.459 1.00 22.38 H new ATOM 0 HG2 LYS A 79 3.761 -5.873 -4.274 1.00 21.74 H new ATOM 0 HG3 LYS A 79 4.010 -7.143 -3.405 1.00 21.74 H new ATOM 0 HD2 LYS A 79 1.819 -6.498 -2.345 1.00 21.05 H new ATOM 0 HD3 LYS A 79 1.595 -5.738 -3.688 1.00 21.05 H new ATOM 0 HE2 LYS A 79 1.941 -8.536 -3.414 1.00 26.23 H new ATOM 0 HE3 LYS A 79 0.673 -7.830 -3.985 1.00 26.23 H new ATOM 0 HZ1 LYS A 79 1.764 -8.509 -5.789 1.00 33.12 H new ATOM 0 HZ2 LYS A 79 2.126 -7.102 -5.746 1.00 33.12 H new ATOM 0 HZ3 LYS A 79 3.067 -8.109 -5.287 1.00 33.12 H new ATOM 637 N PHE A 80 4.451 -2.416 -0.818 1.00 10.43 N ATOM 638 CA PHE A 80 4.665 -1.692 0.416 1.00 9.06 C ATOM 639 C PHE A 80 3.832 -0.402 0.473 1.00 11.31 C ATOM 640 O PHE A 80 4.029 0.423 1.365 1.00 12.70 O ATOM 641 CB PHE A 80 6.138 -1.362 0.579 1.00 2.00 C ATOM 642 CG PHE A 80 7.030 -2.559 0.552 1.00 2.72 C ATOM 643 CD1 PHE A 80 6.599 -3.774 1.067 1.00 2.00 C ATOM 644 CD2 PHE A 80 8.300 -2.473 0.021 1.00 2.00 C ATOM 645 CE1 PHE A 80 7.422 -4.885 1.057 1.00 3.17 C ATOM 646 CE2 PHE A 80 9.142 -3.581 0.000 1.00 4.90 C ATOM 647 CZ PHE A 80 8.700 -4.789 0.521 1.00 2.17 C ATOM 0 H PHE A 80 4.949 -2.154 -1.468 1.00 10.43 H new ATOM 0 HA PHE A 80 4.377 -2.264 1.145 1.00 9.06 H new ATOM 0 HB2 PHE A 80 6.405 -0.754 -0.128 1.00 2.00 H new ATOM 0 HB3 PHE A 80 6.265 -0.893 1.419 1.00 2.00 H new ATOM 0 HD1 PHE A 80 5.743 -3.842 1.424 1.00 2.00 H new ATOM 0 HD2 PHE A 80 8.598 -1.664 -0.328 1.00 2.00 H new ATOM 0 HE1 PHE A 80 7.122 -5.692 1.407 1.00 3.17 H new ATOM 0 HE2 PHE A 80 9.996 -3.512 -0.361 1.00 4.90 H new ATOM 0 HZ PHE A 80 9.258 -5.533 0.511 1.00 2.17 H new ATOM 648 N LEU A 81 2.875 -0.241 -0.433 1.00 9.65 N ATOM 649 CA LEU A 81 2.066 0.969 -0.419 1.00 10.06 C ATOM 650 C LEU A 81 0.615 0.728 -0.141 1.00 14.09 C ATOM 651 O LEU A 81 -0.203 1.624 -0.291 1.00 18.94 O ATOM 652 CB LEU A 81 2.216 1.744 -1.719 1.00 6.47 C ATOM 653 CG LEU A 81 3.624 2.259 -1.952 1.00 3.22 C ATOM 654 CD1 LEU A 81 3.711 2.829 -3.342 1.00 7.25 C ATOM 655 CD2 LEU A 81 3.999 3.271 -0.897 1.00 2.00 C ATOM 0 H LEU A 81 2.681 -0.807 -1.051 1.00 9.65 H new ATOM 0 HA LEU A 81 2.409 1.495 0.320 1.00 10.06 H new ATOM 0 HB2 LEU A 81 1.961 1.173 -2.460 1.00 6.47 H new ATOM 0 HB3 LEU A 81 1.601 2.494 -1.714 1.00 6.47 H new ATOM 0 HG LEU A 81 4.261 1.531 -1.879 1.00 3.22 H new ATOM 0 HD11 LEU A 81 4.609 3.161 -3.500 1.00 7.25 H new ATOM 0 HD12 LEU A 81 3.504 2.137 -3.989 1.00 7.25 H new ATOM 0 HD13 LEU A 81 3.077 3.557 -3.434 1.00 7.25 H new ATOM 0 HD21 LEU A 81 4.900 3.590 -1.060 1.00 2.00 H new ATOM 0 HD22 LEU A 81 3.381 4.018 -0.931 1.00 2.00 H new ATOM 0 HD23 LEU A 81 3.957 2.856 -0.021 1.00 2.00 H new ATOM 656 N ASP A 82 0.276 -0.498 0.222 1.00 20.06 N ATOM 657 CA ASP A 82 -1.101 -0.797 0.555 1.00 24.09 C ATOM 658 C ASP A 82 -1.308 -0.863 2.068 1.00 23.57 C ATOM 659 O ASP A 82 -0.378 -0.628 2.839 1.00 24.63 O ATOM 660 CB ASP A 82 -1.620 -2.061 -0.177 1.00 29.29 C ATOM 661 CG ASP A 82 -0.776 -3.303 0.065 1.00 33.03 C ATOM 662 OD1 ASP A 82 -0.221 -3.473 1.178 1.00 34.36 O ATOM 663 OD2 ASP A 82 -0.702 -4.134 -0.873 1.00 36.20 O ATOM 0 H ASP A 82 0.820 -1.161 0.281 1.00 20.06 H new ATOM 0 HA ASP A 82 -1.643 -0.061 0.230 1.00 24.09 H new ATOM 0 HB2 ASP A 82 -2.530 -2.238 0.108 1.00 29.29 H new ATOM 0 HB3 ASP A 82 -1.651 -1.882 -1.130 1.00 29.29 H new ATOM 664 N ASP A 83 -2.503 -1.263 2.481 1.00 26.71 N ATOM 665 CA ASP A 83 -2.854 -1.339 3.891 1.00 28.82 C ATOM 666 C ASP A 83 -2.482 -2.620 4.592 1.00 28.32 C ATOM 667 O ASP A 83 -2.563 -2.694 5.823 1.00 31.36 O ATOM 668 CB ASP A 83 -4.341 -1.072 4.065 1.00 32.73 C ATOM 669 CG ASP A 83 -4.731 0.313 3.597 1.00 40.62 C ATOM 670 OD1 ASP A 83 -3.944 1.265 3.833 1.00 41.74 O ATOM 671 OD2 ASP A 83 -5.814 0.448 2.974 1.00 45.96 O ATOM 0 H ASP A 83 -3.136 -1.499 1.949 1.00 26.71 H new ATOM 0 HA ASP A 83 -2.316 -0.655 4.319 1.00 28.82 H new ATOM 0 HB2 ASP A 83 -4.847 -1.734 3.569 1.00 32.73 H new ATOM 0 HB3 ASP A 83 -4.579 -1.175 5.000 1.00 32.73 H new ATOM 672 N ASP A 84 -2.100 -3.636 3.819 1.00 25.34 N ATOM 673 CA ASP A 84 -1.698 -4.923 4.391 1.00 22.25 C ATOM 674 C ASP A 84 -0.195 -4.906 4.743 1.00 19.66 C ATOM 675 O ASP A 84 0.671 -4.905 3.847 1.00 20.27 O ATOM 676 CB ASP A 84 -2.037 -6.056 3.423 1.00 21.81 C ATOM 677 CG ASP A 84 -1.944 -7.417 4.063 1.00 26.29 C ATOM 678 OD1 ASP A 84 -1.564 -7.509 5.242 1.00 28.03 O ATOM 679 OD2 ASP A 84 -2.254 -8.412 3.385 1.00 34.42 O ATOM 0 H ASP A 84 -2.066 -3.601 2.960 1.00 25.34 H new ATOM 0 HA ASP A 84 -2.191 -5.076 5.212 1.00 22.25 H new ATOM 0 HB2 ASP A 84 -2.935 -5.925 3.080 1.00 21.81 H new ATOM 0 HB3 ASP A 84 -1.435 -6.018 2.664 1.00 21.81 H new ATOM 680 N LEU A 85 0.113 -4.885 6.040 1.00 15.89 N ATOM 681 CA LEU A 85 1.487 -4.814 6.490 1.00 11.70 C ATOM 682 C LEU A 85 2.262 -6.120 6.533 1.00 10.05 C ATOM 683 O LEU A 85 3.494 -6.121 6.642 1.00 10.84 O ATOM 684 CB LEU A 85 1.587 -4.052 7.812 1.00 15.14 C ATOM 685 CG LEU A 85 1.133 -2.579 7.795 1.00 21.33 C ATOM 686 CD1 LEU A 85 1.583 -1.893 9.080 1.00 20.21 C ATOM 687 CD2 LEU A 85 1.699 -1.824 6.575 1.00 19.79 C ATOM 0 H LEU A 85 -0.468 -4.912 6.673 1.00 15.89 H new ATOM 0 HA LEU A 85 1.938 -4.319 5.788 1.00 11.70 H new ATOM 0 HB2 LEU A 85 1.059 -4.524 8.475 1.00 15.14 H new ATOM 0 HB3 LEU A 85 2.510 -4.082 8.110 1.00 15.14 H new ATOM 0 HG LEU A 85 0.165 -2.563 7.731 1.00 21.33 H new ATOM 0 HD11 LEU A 85 1.297 -0.966 9.069 1.00 20.21 H new ATOM 0 HD12 LEU A 85 1.188 -2.344 9.843 1.00 20.21 H new ATOM 0 HD13 LEU A 85 2.550 -1.932 9.146 1.00 20.21 H new ATOM 0 HD21 LEU A 85 1.395 -0.903 6.595 1.00 19.79 H new ATOM 0 HD22 LEU A 85 2.668 -1.845 6.602 1.00 19.79 H new ATOM 0 HD23 LEU A 85 1.390 -2.249 5.759 1.00 19.79 H new ATOM 688 N THR A 86 1.569 -7.220 6.313 1.00 10.24 N ATOM 689 CA THR A 86 2.195 -8.536 6.317 1.00 13.27 C ATOM 690 C THR A 86 3.528 -8.583 5.557 1.00 12.88 C ATOM 691 O THR A 86 4.565 -8.863 6.132 1.00 10.66 O ATOM 692 CB THR A 86 1.236 -9.581 5.711 1.00 16.59 C ATOM 693 OG1 THR A 86 -0.084 -9.345 6.202 1.00 18.37 O ATOM 694 CG2 THR A 86 1.651 -10.996 6.102 1.00 17.75 C ATOM 0 H THR A 86 0.723 -7.230 6.157 1.00 10.24 H new ATOM 0 HA THR A 86 2.386 -8.739 7.246 1.00 13.27 H new ATOM 0 HB THR A 86 1.266 -9.499 4.745 1.00 16.59 H new ATOM 0 HG1 THR A 86 -0.479 -8.805 5.695 1.00 18.37 H new ATOM 0 HG21 THR A 86 1.034 -11.634 5.710 1.00 17.75 H new ATOM 0 HG22 THR A 86 2.548 -11.172 5.777 1.00 17.75 H new ATOM 0 HG23 THR A 86 1.635 -11.083 7.068 1.00 17.75 H new ATOM 695 N ASP A 87 3.511 -8.277 4.270 1.00 14.13 N ATOM 696 CA ASP A 87 4.748 -8.327 3.511 1.00 13.36 C ATOM 697 C ASP A 87 5.779 -7.267 3.895 1.00 13.03 C ATOM 698 O ASP A 87 6.984 -7.493 3.737 1.00 16.06 O ATOM 699 CB ASP A 87 4.464 -8.331 1.995 1.00 17.90 C ATOM 700 CG ASP A 87 3.476 -7.270 1.574 1.00 22.60 C ATOM 701 OD1 ASP A 87 3.239 -6.322 2.355 1.00 27.94 O ATOM 702 OD2 ASP A 87 2.941 -7.379 0.453 1.00 21.75 O ATOM 0 H ASP A 87 2.813 -8.043 3.826 1.00 14.13 H new ATOM 0 HA ASP A 87 5.166 -9.168 3.753 1.00 13.36 H new ATOM 0 HB2 ASP A 87 5.297 -8.198 1.515 1.00 17.90 H new ATOM 0 HB3 ASP A 87 4.124 -9.202 1.738 1.00 17.90 H new ATOM 703 N ASP A 88 5.318 -6.160 4.481 1.00 13.76 N ATOM 704 CA ASP A 88 6.206 -5.059 4.894 1.00 10.47 C ATOM 705 C ASP A 88 7.059 -5.537 6.064 1.00 10.94 C ATOM 706 O ASP A 88 8.271 -5.258 6.152 1.00 13.64 O ATOM 707 CB ASP A 88 5.388 -3.853 5.380 1.00 13.09 C ATOM 708 CG ASP A 88 4.683 -3.114 4.270 1.00 12.56 C ATOM 709 OD1 ASP A 88 3.698 -3.638 3.709 1.00 12.52 O ATOM 710 OD2 ASP A 88 5.076 -1.958 4.002 1.00 15.07 O ATOM 0 H ASP A 88 4.486 -6.023 4.651 1.00 13.76 H new ATOM 0 HA ASP A 88 6.750 -4.798 4.135 1.00 10.47 H new ATOM 0 HB2 ASP A 88 4.730 -4.157 6.025 1.00 13.09 H new ATOM 0 HB3 ASP A 88 5.977 -3.238 5.844 1.00 13.09 H new ATOM 711 N ILE A 89 6.394 -6.253 6.968 1.00 10.96 N ATOM 712 CA ILE A 89 6.987 -6.814 8.181 1.00 8.02 C ATOM 713 C ILE A 89 8.010 -7.900 7.888 1.00 8.15 C ATOM 714 O ILE A 89 9.035 -8.003 8.548 1.00 13.06 O ATOM 715 CB ILE A 89 5.860 -7.312 9.096 1.00 10.86 C ATOM 716 CG1 ILE A 89 5.080 -6.085 9.631 1.00 12.24 C ATOM 717 CG2 ILE A 89 6.400 -8.274 10.162 1.00 8.52 C ATOM 718 CD1 ILE A 89 3.831 -6.374 10.481 1.00 15.74 C ATOM 0 H ILE A 89 5.556 -6.432 6.890 1.00 10.96 H new ATOM 0 HA ILE A 89 7.485 -6.116 8.635 1.00 8.02 H new ATOM 0 HB ILE A 89 5.218 -7.851 8.607 1.00 10.86 H new ATOM 0 HG12 ILE A 89 5.689 -5.547 10.161 1.00 12.24 H new ATOM 0 HG13 ILE A 89 4.811 -5.544 8.872 1.00 12.24 H new ATOM 0 HG21 ILE A 89 5.671 -8.574 10.727 1.00 8.52 H new ATOM 0 HG22 ILE A 89 6.810 -9.039 9.730 1.00 8.52 H new ATOM 0 HG23 ILE A 89 7.062 -7.817 10.705 1.00 8.52 H new ATOM 0 HD11 ILE A 89 3.427 -5.537 10.758 1.00 15.74 H new ATOM 0 HD12 ILE A 89 3.193 -6.882 9.956 1.00 15.74 H new ATOM 0 HD13 ILE A 89 4.084 -6.886 11.265 1.00 15.74 H new ATOM 719 N VAL A 90 7.722 -8.723 6.896 1.00 8.98 N ATOM 720 CA VAL A 90 8.625 -9.773 6.474 1.00 6.67 C ATOM 721 C VAL A 90 9.891 -9.123 5.938 1.00 9.45 C ATOM 722 O VAL A 90 10.997 -9.565 6.217 1.00 14.33 O ATOM 723 CB VAL A 90 7.968 -10.609 5.364 1.00 6.71 C ATOM 724 CG1 VAL A 90 8.959 -11.575 4.775 1.00 3.33 C ATOM 725 CG2 VAL A 90 6.779 -11.361 5.928 1.00 6.50 C ATOM 0 H VAL A 90 6.991 -8.687 6.445 1.00 8.98 H new ATOM 0 HA VAL A 90 8.834 -10.354 7.222 1.00 6.67 H new ATOM 0 HB VAL A 90 7.666 -10.014 4.660 1.00 6.71 H new ATOM 0 HG11 VAL A 90 8.530 -12.094 4.077 1.00 3.33 H new ATOM 0 HG12 VAL A 90 9.706 -11.084 4.399 1.00 3.33 H new ATOM 0 HG13 VAL A 90 9.282 -12.171 5.469 1.00 3.33 H new ATOM 0 HG21 VAL A 90 6.366 -11.888 5.226 1.00 6.50 H new ATOM 0 HG22 VAL A 90 7.076 -11.949 6.640 1.00 6.50 H new ATOM 0 HG23 VAL A 90 6.133 -10.729 6.279 1.00 6.50 H new ATOM 726 N CYS A 91 9.748 -8.078 5.138 1.00 11.53 N ATOM 727 CA CYS A 91 10.942 -7.405 4.619 1.00 9.39 C ATOM 728 C CYS A 91 11.682 -6.636 5.708 1.00 6.60 C ATOM 729 O CYS A 91 12.914 -6.589 5.700 1.00 10.00 O ATOM 730 CB CYS A 91 10.582 -6.466 3.481 1.00 10.43 C ATOM 731 SG CYS A 91 12.028 -5.843 2.594 1.00 11.91 S ATOM 0 H CYS A 91 8.996 -7.746 4.886 1.00 11.53 H new ATOM 0 HA CYS A 91 11.534 -8.098 4.286 1.00 9.39 H new ATOM 0 HB2 CYS A 91 10.001 -6.930 2.857 1.00 10.43 H new ATOM 0 HB3 CYS A 91 10.078 -5.716 3.834 1.00 10.43 H new ATOM 732 N ALA A 92 10.949 -6.058 6.662 1.00 7.70 N ATOM 733 CA ALA A 92 11.590 -5.315 7.756 1.00 4.82 C ATOM 734 C ALA A 92 12.481 -6.179 8.611 1.00 6.35 C ATOM 735 O ALA A 92 13.456 -5.681 9.150 1.00 12.28 O ATOM 736 CB ALA A 92 10.583 -4.616 8.607 1.00 2.64 C ATOM 0 H ALA A 92 10.090 -6.082 6.697 1.00 7.70 H new ATOM 0 HA ALA A 92 12.155 -4.652 7.329 1.00 4.82 H new ATOM 0 HB1 ALA A 92 11.037 -4.136 9.318 1.00 2.64 H new ATOM 0 HB2 ALA A 92 10.080 -3.989 8.064 1.00 2.64 H new ATOM 0 HB3 ALA A 92 9.977 -5.268 8.993 1.00 2.64 H new ATOM 737 N LYS A 93 12.166 -7.470 8.747 1.00 9.68 N ATOM 738 CA LYS A 93 13.002 -8.407 9.540 1.00 5.82 C ATOM 739 C LYS A 93 14.337 -8.730 8.875 1.00 6.36 C ATOM 740 O LYS A 93 15.357 -8.832 9.549 1.00 3.08 O ATOM 741 CB LYS A 93 12.242 -9.694 9.824 1.00 5.59 C ATOM 742 CG LYS A 93 11.044 -9.497 10.729 1.00 2.00 C ATOM 743 CD LYS A 93 10.181 -10.691 10.725 1.00 3.70 C ATOM 744 CE LYS A 93 9.163 -10.598 11.837 1.00 10.44 C ATOM 745 NZ LYS A 93 8.387 -11.875 11.964 1.00 13.64 N ATOM 0 H LYS A 93 11.472 -7.832 8.390 1.00 9.68 H new ATOM 0 HA LYS A 93 13.202 -7.953 10.374 1.00 5.82 H new ATOM 0 HB2 LYS A 93 11.945 -10.078 8.984 1.00 5.59 H new ATOM 0 HB3 LYS A 93 12.845 -10.335 10.232 1.00 5.59 H new ATOM 0 HG2 LYS A 93 11.344 -9.313 11.633 1.00 2.00 H new ATOM 0 HG3 LYS A 93 10.536 -8.725 10.436 1.00 2.00 H new ATOM 0 HD2 LYS A 93 9.730 -10.770 9.870 1.00 3.70 H new ATOM 0 HD3 LYS A 93 10.721 -11.489 10.836 1.00 3.70 H new ATOM 0 HE2 LYS A 93 9.611 -10.403 12.675 1.00 10.44 H new ATOM 0 HE3 LYS A 93 8.555 -9.862 11.663 1.00 10.44 H new ATOM 0 HZ1 LYS A 93 7.548 -11.691 12.196 1.00 13.64 H new ATOM 0 HZ2 LYS A 93 8.391 -12.304 11.184 1.00 13.64 H new ATOM 0 HZ3 LYS A 93 8.761 -12.389 12.587 1.00 13.64 H new ATOM 746 N LYS A 94 14.349 -8.838 7.548 1.00 8.25 N ATOM 747 CA LYS A 94 15.586 -9.111 6.834 1.00 6.66 C ATOM 748 C LYS A 94 16.505 -7.913 6.967 1.00 9.62 C ATOM 749 O LYS A 94 17.682 -8.057 7.247 1.00 12.62 O ATOM 750 CB LYS A 94 15.290 -9.402 5.373 1.00 8.70 C ATOM 751 CG LYS A 94 14.349 -10.580 5.209 1.00 14.78 C ATOM 752 CD LYS A 94 14.368 -11.101 3.791 1.00 18.70 C ATOM 753 CE LYS A 94 13.069 -11.822 3.452 1.00 22.74 C ATOM 754 NZ LYS A 94 12.883 -13.073 4.213 1.00 27.94 N ATOM 0 H LYS A 94 13.654 -8.757 7.048 1.00 8.25 H new ATOM 0 HA LYS A 94 16.021 -9.890 7.214 1.00 6.66 H new ATOM 0 HB2 LYS A 94 14.899 -8.616 4.960 1.00 8.70 H new ATOM 0 HB3 LYS A 94 16.120 -9.584 4.906 1.00 8.70 H new ATOM 0 HG2 LYS A 94 14.604 -11.289 5.820 1.00 14.78 H new ATOM 0 HG3 LYS A 94 13.447 -10.312 5.446 1.00 14.78 H new ATOM 0 HD2 LYS A 94 14.502 -10.364 3.175 1.00 18.70 H new ATOM 0 HD3 LYS A 94 15.117 -11.707 3.676 1.00 18.70 H new ATOM 0 HE2 LYS A 94 12.322 -11.229 3.628 1.00 22.74 H new ATOM 0 HE3 LYS A 94 13.055 -12.022 2.503 1.00 22.74 H new ATOM 0 HZ1 LYS A 94 12.113 -13.452 3.978 1.00 27.94 H new ATOM 0 HZ2 LYS A 94 13.554 -13.631 4.036 1.00 27.94 H new ATOM 0 HZ3 LYS A 94 12.870 -12.892 5.084 1.00 27.94 H new ATOM 755 N ILE A 95 15.961 -6.719 6.772 1.00 11.36 N ATOM 756 CA ILE A 95 16.740 -5.491 6.915 1.00 8.55 C ATOM 757 C ILE A 95 17.399 -5.442 8.286 1.00 9.12 C ATOM 758 O ILE A 95 18.544 -5.027 8.409 1.00 14.21 O ATOM 759 CB ILE A 95 15.861 -4.225 6.756 1.00 6.44 C ATOM 760 CG1 ILE A 95 15.305 -4.153 5.326 1.00 5.10 C ATOM 761 CG2 ILE A 95 16.697 -2.975 7.095 1.00 5.07 C ATOM 762 CD1 ILE A 95 14.329 -3.030 5.096 1.00 6.30 C ATOM 0 H ILE A 95 15.138 -6.595 6.555 1.00 11.36 H new ATOM 0 HA ILE A 95 17.409 -5.500 6.213 1.00 8.55 H new ATOM 0 HB ILE A 95 15.109 -4.266 7.368 1.00 6.44 H new ATOM 0 HG12 ILE A 95 16.045 -4.056 4.707 1.00 5.10 H new ATOM 0 HG13 ILE A 95 14.869 -4.994 5.117 1.00 5.10 H new ATOM 0 HG21 ILE A 95 16.148 -2.182 6.996 1.00 5.07 H new ATOM 0 HG22 ILE A 95 17.014 -3.036 8.010 1.00 5.07 H new ATOM 0 HG23 ILE A 95 17.456 -2.920 6.493 1.00 5.07 H new ATOM 0 HD11 ILE A 95 14.024 -3.050 4.175 1.00 6.30 H new ATOM 0 HD12 ILE A 95 13.570 -3.134 5.690 1.00 6.30 H new ATOM 0 HD13 ILE A 95 14.764 -2.181 5.274 1.00 6.30 H new ATOM 763 N LEU A 96 16.656 -5.824 9.316 1.00 10.47 N ATOM 764 CA LEU A 96 17.187 -5.843 10.671 1.00 12.84 C ATOM 765 C LEU A 96 18.363 -6.822 10.756 1.00 14.65 C ATOM 766 O LEU A 96 19.447 -6.430 11.170 1.00 17.16 O ATOM 767 CB LEU A 96 16.082 -6.225 11.682 1.00 12.04 C ATOM 768 CG LEU A 96 16.408 -6.096 13.178 1.00 10.12 C ATOM 769 CD1 LEU A 96 16.859 -4.668 13.489 1.00 13.50 C ATOM 770 CD2 LEU A 96 15.209 -6.465 14.010 1.00 8.07 C ATOM 0 H LEU A 96 15.837 -6.077 9.251 1.00 10.47 H new ATOM 0 HA LEU A 96 17.505 -4.955 10.896 1.00 12.84 H new ATOM 0 HB2 LEU A 96 15.305 -5.675 11.497 1.00 12.04 H new ATOM 0 HB3 LEU A 96 15.825 -7.145 11.511 1.00 12.04 H new ATOM 0 HG LEU A 96 17.129 -6.707 13.398 1.00 10.12 H new ATOM 0 HD11 LEU A 96 17.064 -4.592 14.434 1.00 13.50 H new ATOM 0 HD12 LEU A 96 17.651 -4.458 12.969 1.00 13.50 H new ATOM 0 HD13 LEU A 96 16.149 -4.047 13.261 1.00 13.50 H new ATOM 0 HD21 LEU A 96 15.429 -6.379 14.951 1.00 8.07 H new ATOM 0 HD22 LEU A 96 14.471 -5.873 13.795 1.00 8.07 H new ATOM 0 HD23 LEU A 96 14.953 -7.381 13.821 1.00 8.07 H new ATOM 771 N ASP A 97 18.158 -8.072 10.328 1.00 18.10 N ATOM 772 CA ASP A 97 19.212 -9.106 10.354 1.00 21.77 C ATOM 773 C ASP A 97 20.412 -8.813 9.467 1.00 23.24 C ATOM 774 O ASP A 97 21.522 -9.256 9.744 1.00 26.89 O ATOM 775 CB ASP A 97 18.665 -10.473 9.941 1.00 22.28 C ATOM 776 CG ASP A 97 17.525 -10.939 10.820 1.00 28.03 C ATOM 777 OD1 ASP A 97 17.467 -10.544 12.008 1.00 36.30 O ATOM 778 OD2 ASP A 97 16.678 -11.703 10.309 1.00 27.37 O ATOM 0 H ASP A 97 17.406 -8.348 10.014 1.00 18.10 H new ATOM 0 HA ASP A 97 19.511 -9.105 11.277 1.00 21.77 H new ATOM 0 HB2 ASP A 97 18.362 -10.431 9.021 1.00 22.28 H new ATOM 0 HB3 ASP A 97 19.381 -11.127 9.974 1.00 22.28 H new ATOM 779 N LYS A 98 20.173 -8.135 8.355 1.00 25.12 N ATOM 780 CA LYS A 98 21.247 -7.805 7.440 1.00 25.38 C ATOM 781 C LYS A 98 21.995 -6.516 7.798 1.00 27.09 C ATOM 782 O LYS A 98 23.229 -6.498 7.822 1.00 29.79 O ATOM 783 CB LYS A 98 20.702 -7.706 6.015 1.00 28.69 C ATOM 784 CG LYS A 98 20.434 -9.052 5.329 1.00 34.40 C ATOM 785 CD LYS A 98 19.340 -9.861 6.007 1.00 35.54 C ATOM 786 CE LYS A 98 19.212 -11.261 5.405 1.00 41.46 C ATOM 787 NZ LYS A 98 18.814 -11.273 3.970 1.00 40.37 N ATOM 0 H LYS A 98 19.396 -7.858 8.113 1.00 25.12 H new ATOM 0 HA LYS A 98 21.894 -8.524 7.511 1.00 25.38 H new ATOM 0 HB2 LYS A 98 19.876 -7.197 6.033 1.00 28.69 H new ATOM 0 HB3 LYS A 98 21.333 -7.203 5.476 1.00 28.69 H new ATOM 0 HG2 LYS A 98 20.186 -8.894 4.405 1.00 34.40 H new ATOM 0 HG3 LYS A 98 21.253 -9.572 5.318 1.00 34.40 H new ATOM 0 HD2 LYS A 98 19.532 -9.933 6.955 1.00 35.54 H new ATOM 0 HD3 LYS A 98 18.494 -9.394 5.923 1.00 35.54 H new ATOM 0 HE2 LYS A 98 20.061 -11.722 5.499 1.00 41.46 H new ATOM 0 HE3 LYS A 98 18.558 -11.764 5.916 1.00 41.46 H new ATOM 0 HZ1 LYS A 98 18.758 -12.114 3.684 1.00 40.37 H new ATOM 0 HZ2 LYS A 98 18.023 -10.876 3.878 1.00 40.37 H new ATOM 0 HZ3 LYS A 98 19.423 -10.837 3.489 1.00 40.37 H new ATOM 788 N VAL A 99 21.264 -5.436 8.078 1.00 25.76 N ATOM 789 CA VAL A 99 21.933 -4.168 8.372 1.00 27.14 C ATOM 790 C VAL A 99 21.739 -3.562 9.746 1.00 23.95 C ATOM 791 O VAL A 99 22.470 -2.654 10.124 1.00 25.37 O ATOM 792 CB VAL A 99 21.604 -3.076 7.314 1.00 27.56 C ATOM 793 CG1 VAL A 99 21.735 -3.644 5.914 1.00 31.91 C ATOM 794 CG2 VAL A 99 20.240 -2.492 7.537 1.00 29.80 C ATOM 0 H VAL A 99 20.405 -5.414 8.103 1.00 25.76 H new ATOM 0 HA VAL A 99 22.863 -4.443 8.341 1.00 27.14 H new ATOM 0 HB VAL A 99 22.245 -2.355 7.413 1.00 27.56 H new ATOM 0 HG11 VAL A 99 21.528 -2.954 5.264 1.00 31.91 H new ATOM 0 HG12 VAL A 99 22.643 -3.956 5.775 1.00 31.91 H new ATOM 0 HG13 VAL A 99 21.119 -4.385 5.806 1.00 31.91 H new ATOM 0 HG21 VAL A 99 20.063 -1.816 6.864 1.00 29.80 H new ATOM 0 HG22 VAL A 99 19.573 -3.193 7.473 1.00 29.80 H new ATOM 0 HG23 VAL A 99 20.201 -2.089 8.418 1.00 29.80 H new ATOM 795 N GLY A 100 20.755 -4.042 10.488 1.00 22.84 N ATOM 796 CA GLY A 100 20.515 -3.484 11.799 1.00 17.08 C ATOM 797 C GLY A 100 19.570 -2.294 11.800 1.00 17.51 C ATOM 798 O GLY A 100 19.221 -1.718 10.758 1.00 13.91 O ATOM 0 H GLY A 100 20.225 -4.678 10.255 1.00 22.84 H new ATOM 0 HA2 GLY A 100 20.150 -4.176 12.373 1.00 17.08 H new ATOM 0 HA3 GLY A 100 21.362 -3.213 12.185 1.00 17.08 H new ATOM 799 N ILE A 101 19.203 -1.910 13.018 1.00 16.61 N ATOM 800 CA ILE A 101 18.286 -0.822 13.306 1.00 16.70 C ATOM 801 C ILE A 101 18.726 0.511 12.679 1.00 18.23 C ATOM 802 O ILE A 101 17.884 1.354 12.385 1.00 19.34 O ATOM 803 CB ILE A 101 18.076 -0.713 14.866 1.00 17.62 C ATOM 804 CG1 ILE A 101 16.710 -0.109 15.209 1.00 18.35 C ATOM 805 CG2 ILE A 101 19.218 0.110 15.527 1.00 18.92 C ATOM 806 CD1 ILE A 101 15.518 -1.046 15.016 1.00 21.76 C ATOM 0 H ILE A 101 19.497 -2.296 13.728 1.00 16.61 H new ATOM 0 HA ILE A 101 17.433 -1.025 12.890 1.00 16.70 H new ATOM 0 HB ILE A 101 18.101 -1.614 15.224 1.00 17.62 H new ATOM 0 HG12 ILE A 101 16.725 0.186 16.133 1.00 18.35 H new ATOM 0 HG13 ILE A 101 16.575 0.680 14.662 1.00 18.35 H new ATOM 0 HG21 ILE A 101 19.067 0.163 16.484 1.00 18.92 H new ATOM 0 HG22 ILE A 101 20.069 -0.323 15.358 1.00 18.92 H new ATOM 0 HG23 ILE A 101 19.231 1.005 15.152 1.00 18.92 H new ATOM 0 HD11 ILE A 101 14.700 -0.583 15.256 1.00 21.76 H new ATOM 0 HD12 ILE A 101 15.472 -1.324 14.088 1.00 21.76 H new ATOM 0 HD13 ILE A 101 15.625 -1.826 15.582 1.00 21.76 H new ATOM 807 N ASN A 102 20.019 0.683 12.410 1.00 19.78 N ATOM 808 CA ASN A 102 20.509 1.935 11.803 1.00 22.03 C ATOM 809 C ASN A 102 20.053 2.150 10.348 1.00 20.56 C ATOM 810 O ASN A 102 20.315 3.197 9.743 1.00 23.81 O ATOM 811 CB ASN A 102 22.035 2.075 11.914 1.00 25.05 C ATOM 812 CG ASN A 102 22.501 2.423 13.341 1.00 35.15 C ATOM 813 OD1 ASN A 102 23.029 1.566 14.058 1.00 38.72 O ATOM 814 ND2 ASN A 102 22.317 3.681 13.749 1.00 34.65 N ATOM 0 H ASN A 102 20.629 0.097 12.567 1.00 19.78 H new ATOM 0 HA ASN A 102 20.094 2.638 12.327 1.00 22.03 H new ATOM 0 HB2 ASN A 102 22.453 1.245 11.635 1.00 25.05 H new ATOM 0 HB3 ASN A 102 22.338 2.764 11.302 1.00 25.05 H new ATOM 0 HD21 ASN A 102 22.569 3.919 14.536 1.00 34.65 H new ATOM 0 HD22 ASN A 102 21.946 4.253 13.225 1.00 34.65 H new ATOM 815 N TYR A 103 19.399 1.157 9.767 1.00 14.77 N ATOM 816 CA TYR A 103 18.880 1.340 8.421 1.00 12.05 C ATOM 817 C TYR A 103 17.950 2.530 8.575 1.00 11.64 C ATOM 818 O TYR A 103 17.996 3.474 7.792 1.00 11.95 O ATOM 819 CB TYR A 103 18.052 0.123 7.984 1.00 6.16 C ATOM 820 CG TYR A 103 17.303 0.337 6.693 1.00 8.56 C ATOM 821 CD1 TYR A 103 17.939 0.180 5.466 1.00 10.68 C ATOM 822 CD2 TYR A 103 15.969 0.746 6.687 1.00 10.48 C ATOM 823 CE1 TYR A 103 17.269 0.439 4.268 1.00 6.67 C ATOM 824 CE2 TYR A 103 15.289 1.004 5.480 1.00 7.66 C ATOM 825 CZ TYR A 103 15.961 0.852 4.287 1.00 8.03 C ATOM 826 OH TYR A 103 15.368 1.190 3.098 1.00 10.52 O ATOM 0 H TYR A 103 19.247 0.389 10.122 1.00 14.77 H new ATOM 0 HA TYR A 103 19.584 1.459 7.764 1.00 12.05 H new ATOM 0 HB2 TYR A 103 18.641 -0.641 7.885 1.00 6.16 H new ATOM 0 HB3 TYR A 103 17.418 -0.096 8.685 1.00 6.16 H new ATOM 0 HD1 TYR A 103 18.825 -0.102 5.443 1.00 10.68 H new ATOM 0 HD2 TYR A 103 15.520 0.850 7.495 1.00 10.48 H new ATOM 0 HE1 TYR A 103 17.710 0.331 3.456 1.00 6.67 H new ATOM 0 HE2 TYR A 103 14.399 1.273 5.489 1.00 7.66 H new ATOM 0 HH TYR A 103 14.647 1.594 3.249 1.00 10.52 H new ATOM 827 N TRP A 104 17.138 2.479 9.639 1.00 13.23 N ATOM 828 CA TRP A 104 16.150 3.501 9.941 1.00 11.58 C ATOM 829 C TRP A 104 16.571 4.639 10.866 1.00 14.78 C ATOM 830 O TRP A 104 16.166 5.779 10.643 1.00 16.78 O ATOM 831 CB TRP A 104 14.916 2.854 10.530 1.00 9.26 C ATOM 832 CG TRP A 104 14.295 1.829 9.684 1.00 7.37 C ATOM 833 CD1 TRP A 104 13.348 2.015 8.703 1.00 5.78 C ATOM 834 CD2 TRP A 104 14.433 0.421 9.847 1.00 5.25 C ATOM 835 NE1 TRP A 104 12.868 0.800 8.276 1.00 7.32 N ATOM 836 CE2 TRP A 104 13.520 -0.194 8.961 1.00 6.77 C ATOM 837 CE3 TRP A 104 15.235 -0.380 10.670 1.00 5.30 C ATOM 838 CZ2 TRP A 104 13.383 -1.583 8.880 1.00 3.49 C ATOM 839 CZ3 TRP A 104 15.098 -1.765 10.592 1.00 7.11 C ATOM 840 CH2 TRP A 104 14.175 -2.350 9.703 1.00 5.43 C ATOM 0 H TRP A 104 17.153 1.836 10.210 1.00 13.23 H new ATOM 0 HA TRP A 104 15.997 3.922 9.080 1.00 11.58 H new ATOM 0 HB2 TRP A 104 15.151 2.453 11.381 1.00 9.26 H new ATOM 0 HB3 TRP A 104 14.260 3.545 10.713 1.00 9.26 H new ATOM 0 HD1 TRP A 104 13.073 2.841 8.377 1.00 5.78 H new ATOM 0 HE1 TRP A 104 12.260 0.682 7.679 1.00 7.32 H new ATOM 0 HE3 TRP A 104 15.846 0.004 11.256 1.00 5.30 H new ATOM 0 HZ2 TRP A 104 12.779 -1.974 8.291 1.00 3.49 H new ATOM 0 HZ3 TRP A 104 15.622 -2.310 11.134 1.00 7.11 H new ATOM 0 HH2 TRP A 104 14.099 -3.276 9.672 1.00 5.43 H new ATOM 841 N LEU A 105 17.323 4.316 11.923 1.00 16.49 N ATOM 842 CA LEU A 105 17.801 5.279 12.924 1.00 14.79 C ATOM 843 C LEU A 105 19.252 5.690 12.725 1.00 18.28 C ATOM 844 O LEU A 105 20.137 4.856 12.840 1.00 20.36 O ATOM 845 CB LEU A 105 17.687 4.663 14.329 1.00 10.18 C ATOM 846 CG LEU A 105 16.360 4.746 15.077 1.00 4.60 C ATOM 847 CD1 LEU A 105 15.196 5.030 14.150 1.00 5.70 C ATOM 848 CD2 LEU A 105 16.152 3.467 15.835 1.00 2.00 C ATOM 0 H LEU A 105 17.576 3.510 12.082 1.00 16.49 H new ATOM 0 HA LEU A 105 17.245 6.067 12.823 1.00 14.79 H new ATOM 0 HB2 LEU A 105 17.922 3.725 14.255 1.00 10.18 H new ATOM 0 HB3 LEU A 105 18.362 5.081 14.886 1.00 10.18 H new ATOM 0 HG LEU A 105 16.398 5.491 15.696 1.00 4.60 H new ATOM 0 HD11 LEU A 105 14.375 5.074 14.665 1.00 5.70 H new ATOM 0 HD12 LEU A 105 15.340 5.877 13.699 1.00 5.70 H new ATOM 0 HD13 LEU A 105 15.126 4.321 13.492 1.00 5.70 H new ATOM 0 HD21 LEU A 105 15.310 3.508 16.315 1.00 2.00 H new ATOM 0 HD22 LEU A 105 16.133 2.722 15.214 1.00 2.00 H new ATOM 0 HD23 LEU A 105 16.878 3.343 16.466 1.00 2.00 H new ATOM 849 N ALA A 106 19.500 6.981 12.505 1.00 23.62 N ATOM 850 CA ALA A 106 20.872 7.499 12.320 1.00 29.75 C ATOM 851 C ALA A 106 21.697 7.335 13.612 1.00 33.72 C ATOM 852 O ALA A 106 22.937 7.212 13.586 1.00 33.62 O ATOM 853 CB ALA A 106 20.822 8.964 11.918 1.00 31.52 C ATOM 0 H ALA A 106 18.887 7.583 12.458 1.00 23.62 H new ATOM 0 HA ALA A 106 21.301 6.988 11.616 1.00 29.75 H new ATOM 0 HB1 ALA A 106 21.725 9.298 11.798 1.00 31.52 H new ATOM 0 HB2 ALA A 106 20.331 9.055 11.086 1.00 31.52 H new ATOM 0 HB3 ALA A 106 20.378 9.475 12.613 1.00 31.52 H new ATOM 854 N HIS A 107 20.980 7.392 14.732 1.00 34.34 N ATOM 855 CA HIS A 107 21.509 7.219 16.076 1.00 33.81 C ATOM 856 C HIS A 107 20.428 6.392 16.778 1.00 32.79 C ATOM 857 O HIS A 107 19.249 6.741 16.715 1.00 30.49 O ATOM 858 CB HIS A 107 21.655 8.571 16.782 1.00 36.41 C ATOM 859 CG HIS A 107 22.774 9.416 16.257 1.00 38.23 C ATOM 860 ND1 HIS A 107 24.099 9.140 16.519 1.00 36.81 N ATOM 861 CD2 HIS A 107 22.767 10.518 15.469 1.00 40.07 C ATOM 862 CE1 HIS A 107 24.861 10.033 15.909 1.00 39.11 C ATOM 863 NE2 HIS A 107 24.077 10.880 15.264 1.00 41.08 N ATOM 0 H HIS A 107 20.133 7.540 14.725 1.00 34.34 H new ATOM 0 HA HIS A 107 22.386 6.804 16.080 1.00 33.81 H new ATOM 0 HB2 HIS A 107 20.823 9.062 16.695 1.00 36.41 H new ATOM 0 HB3 HIS A 107 21.796 8.417 17.729 1.00 36.41 H new ATOM 0 HD2 HIS A 107 22.016 10.949 15.130 1.00 40.07 H new ATOM 0 HE1 HIS A 107 25.790 10.060 15.930 1.00 39.11 H new ATOM 0 HE2 HIS A 107 24.343 11.548 14.793 1.00 41.08 H new ATOM 864 N LYS A 108 20.826 5.301 17.429 1.00 33.69 N ATOM 865 CA LYS A 108 19.885 4.419 18.125 1.00 34.85 C ATOM 866 C LYS A 108 19.164 5.064 19.315 1.00 34.04 C ATOM 867 O LYS A 108 17.974 4.810 19.539 1.00 32.06 O ATOM 868 CB LYS A 108 20.595 3.148 18.585 1.00 37.31 C ATOM 869 CG LYS A 108 19.706 2.215 19.397 1.00 46.65 C ATOM 870 CD LYS A 108 20.475 0.986 19.892 1.00 53.01 C ATOM 871 CE LYS A 108 19.558 0.025 20.637 1.00 55.98 C ATOM 872 NZ LYS A 108 18.471 -0.524 19.762 1.00 57.05 N ATOM 0 H LYS A 108 21.647 5.050 17.481 1.00 33.69 H new ATOM 0 HA LYS A 108 19.196 4.214 17.474 1.00 34.85 H new ATOM 0 HB2 LYS A 108 20.926 2.672 17.808 1.00 37.31 H new ATOM 0 HB3 LYS A 108 21.367 3.393 19.118 1.00 37.31 H new ATOM 0 HG2 LYS A 108 19.341 2.696 20.156 1.00 46.65 H new ATOM 0 HG3 LYS A 108 18.955 1.930 18.854 1.00 46.65 H new ATOM 0 HD2 LYS A 108 20.881 0.530 19.138 1.00 53.01 H new ATOM 0 HD3 LYS A 108 21.197 1.267 20.476 1.00 53.01 H new ATOM 0 HE2 LYS A 108 20.084 -0.708 20.994 1.00 55.98 H new ATOM 0 HE3 LYS A 108 19.160 0.483 21.394 1.00 55.98 H new ATOM 0 HZ1 LYS A 108 18.188 -1.301 20.092 1.00 57.05 H new ATOM 0 HZ2 LYS A 108 17.792 0.051 19.735 1.00 57.05 H new ATOM 0 HZ3 LYS A 108 18.787 -0.649 18.939 1.00 57.05 H new ATOM 873 N ALA A 109 19.903 5.885 20.064 1.00 33.00 N ATOM 874 CA ALA A 109 19.400 6.602 21.230 1.00 29.54 C ATOM 875 C ALA A 109 18.109 7.342 20.915 1.00 29.24 C ATOM 876 O ALA A 109 17.310 7.610 21.816 1.00 31.41 O ATOM 877 CB ALA A 109 20.434 7.574 21.727 1.00 30.34 C ATOM 0 H ALA A 109 20.733 6.042 19.901 1.00 33.00 H new ATOM 0 HA ALA A 109 19.212 5.947 21.920 1.00 29.54 H new ATOM 0 HB1 ALA A 109 20.090 8.045 22.502 1.00 30.34 H new ATOM 0 HB2 ALA A 109 21.239 7.092 21.973 1.00 30.34 H new ATOM 0 HB3 ALA A 109 20.641 8.212 21.027 1.00 30.34 H new ATOM 878 N LEU A 110 17.905 7.651 19.633 1.00 25.52 N ATOM 879 CA LEU A 110 16.703 8.335 19.168 1.00 23.31 C ATOM 880 C LEU A 110 15.449 7.583 19.638 1.00 23.81 C ATOM 881 O LEU A 110 14.420 8.194 19.971 1.00 22.02 O ATOM 882 CB LEU A 110 16.740 8.418 17.646 1.00 26.82 C ATOM 883 CG LEU A 110 15.532 8.983 16.907 1.00 29.79 C ATOM 884 CD1 LEU A 110 15.163 10.324 17.498 1.00 34.45 C ATOM 885 CD2 LEU A 110 15.862 9.119 15.429 1.00 32.59 C ATOM 0 H LEU A 110 18.465 7.467 19.007 1.00 25.52 H new ATOM 0 HA LEU A 110 16.672 9.231 19.538 1.00 23.31 H new ATOM 0 HB2 LEU A 110 17.510 8.954 17.401 1.00 26.82 H new ATOM 0 HB3 LEU A 110 16.898 7.523 17.308 1.00 26.82 H new ATOM 0 HG LEU A 110 14.775 8.384 17.002 1.00 29.79 H new ATOM 0 HD11 LEU A 110 14.395 10.684 17.028 1.00 34.45 H new ATOM 0 HD12 LEU A 110 14.946 10.215 18.437 1.00 34.45 H new ATOM 0 HD13 LEU A 110 15.912 10.934 17.408 1.00 34.45 H new ATOM 0 HD21 LEU A 110 15.094 9.478 14.958 1.00 32.59 H new ATOM 0 HD22 LEU A 110 16.617 9.718 15.320 1.00 32.59 H new ATOM 0 HD23 LEU A 110 16.085 8.248 15.066 1.00 32.59 H new ATOM 886 N CYS A 111 15.554 6.258 19.707 1.00 23.25 N ATOM 887 CA CYS A 111 14.432 5.436 20.146 1.00 24.09 C ATOM 888 C CYS A 111 14.783 4.545 21.326 1.00 26.30 C ATOM 889 O CYS A 111 14.433 3.366 21.338 1.00 28.86 O ATOM 890 CB CYS A 111 13.903 4.570 18.998 1.00 16.65 C ATOM 891 SG CYS A 111 12.784 5.394 17.822 1.00 10.95 S ATOM 0 H CYS A 111 16.264 5.818 19.505 1.00 23.25 H new ATOM 0 HA CYS A 111 13.743 6.055 20.434 1.00 24.09 H new ATOM 0 HB2 CYS A 111 14.662 4.221 18.504 1.00 16.65 H new ATOM 0 HB3 CYS A 111 13.438 3.809 19.379 1.00 16.65 H new ATOM 892 N SER A 112 15.471 5.088 22.321 1.00 28.26 N ATOM 893 CA SER A 112 15.822 4.275 23.470 1.00 30.81 C ATOM 894 C SER A 112 15.508 4.935 24.794 1.00 31.25 C ATOM 895 O SER A 112 15.564 4.297 25.844 1.00 35.14 O ATOM 896 CB SER A 112 17.286 3.852 23.406 1.00 32.62 C ATOM 897 OG SER A 112 18.117 4.953 23.117 1.00 38.95 O ATOM 0 H SER A 112 15.738 5.905 22.350 1.00 28.26 H new ATOM 0 HA SER A 112 15.261 3.485 23.424 1.00 30.81 H new ATOM 0 HB2 SER A 112 17.549 3.457 24.252 1.00 32.62 H new ATOM 0 HB3 SER A 112 17.400 3.169 22.726 1.00 32.62 H new ATOM 0 HG SER A 112 18.756 4.973 23.662 1.00 38.95 H new ATOM 898 N GLU A 113 15.123 6.197 24.753 1.00 30.66 N ATOM 899 CA GLU A 113 14.805 6.889 25.987 1.00 32.29 C ATOM 900 C GLU A 113 13.316 7.008 26.118 1.00 28.07 C ATOM 901 O GLU A 113 12.637 7.137 25.119 1.00 33.37 O ATOM 902 CB GLU A 113 15.416 8.287 25.981 1.00 37.42 C ATOM 903 CG GLU A 113 16.849 8.307 25.490 1.00 46.53 C ATOM 904 CD GLU A 113 17.602 9.543 25.937 1.00 51.58 C ATOM 905 OE1 GLU A 113 16.996 10.644 25.973 1.00 51.31 O ATOM 906 OE2 GLU A 113 18.801 9.397 26.265 1.00 53.71 O ATOM 0 H GLU A 113 15.040 6.665 24.036 1.00 30.66 H new ATOM 0 HA GLU A 113 15.168 6.385 26.733 1.00 32.29 H new ATOM 0 HB2 GLU A 113 14.879 8.866 25.418 1.00 37.42 H new ATOM 0 HB3 GLU A 113 15.382 8.653 26.879 1.00 37.42 H new ATOM 0 HG2 GLU A 113 17.309 7.517 25.814 1.00 46.53 H new ATOM 0 HG3 GLU A 113 16.856 8.261 24.521 1.00 46.53 H new ATOM 907 N LYS A 114 12.802 6.920 27.336 1.00 26.50 N ATOM 908 CA LYS A 114 11.363 7.080 27.586 1.00 23.23 C ATOM 909 C LYS A 114 10.460 6.262 26.659 1.00 20.79 C ATOM 910 O LYS A 114 9.362 6.694 26.272 1.00 21.48 O ATOM 911 CB LYS A 114 11.017 8.562 27.474 1.00 26.20 C ATOM 912 CG LYS A 114 11.952 9.461 28.289 1.00 28.55 C ATOM 913 CD LYS A 114 11.535 9.464 29.728 1.00 36.52 C ATOM 914 CE LYS A 114 10.041 9.750 29.790 1.00 44.34 C ATOM 915 NZ LYS A 114 9.563 10.102 31.153 1.00 55.61 N ATOM 0 H LYS A 114 13.268 6.767 28.042 1.00 26.50 H new ATOM 0 HA LYS A 114 11.192 6.736 28.477 1.00 23.23 H new ATOM 0 HB2 LYS A 114 11.053 8.827 26.542 1.00 26.20 H new ATOM 0 HB3 LYS A 114 10.104 8.699 27.772 1.00 26.20 H new ATOM 0 HG2 LYS A 114 12.866 9.146 28.210 1.00 28.55 H new ATOM 0 HG3 LYS A 114 11.932 10.365 27.937 1.00 28.55 H new ATOM 0 HD2 LYS A 114 11.733 8.608 30.139 1.00 36.52 H new ATOM 0 HD3 LYS A 114 12.029 10.137 30.222 1.00 36.52 H new ATOM 0 HE2 LYS A 114 9.832 10.478 29.183 1.00 44.34 H new ATOM 0 HE3 LYS A 114 9.556 8.971 29.476 1.00 44.34 H new ATOM 0 HZ1 LYS A 114 8.687 10.258 31.130 1.00 55.61 H new ATOM 0 HZ2 LYS A 114 9.729 9.428 31.709 1.00 55.61 H new ATOM 0 HZ3 LYS A 114 9.986 10.831 31.437 1.00 55.61 H new ATOM 916 N LEU A 115 10.881 5.033 26.403 1.00 17.56 N ATOM 917 CA LEU A 115 10.159 4.141 25.518 1.00 12.25 C ATOM 918 C LEU A 115 8.708 3.880 25.858 1.00 12.44 C ATOM 919 O LEU A 115 7.939 3.497 24.984 1.00 14.86 O ATOM 920 CB LEU A 115 10.893 2.828 25.391 1.00 14.31 C ATOM 921 CG LEU A 115 12.033 2.666 24.397 1.00 16.24 C ATOM 922 CD1 LEU A 115 12.334 1.162 24.356 1.00 19.81 C ATOM 923 CD2 LEU A 115 11.675 3.163 23.003 1.00 14.05 C ATOM 0 H LEU A 115 11.596 4.693 26.740 1.00 17.56 H new ATOM 0 HA LEU A 115 10.130 4.620 24.675 1.00 12.25 H new ATOM 0 HB2 LEU A 115 11.247 2.613 26.268 1.00 14.31 H new ATOM 0 HB3 LEU A 115 10.231 2.151 25.179 1.00 14.31 H new ATOM 0 HG LEU A 115 12.796 3.196 24.676 1.00 16.24 H new ATOM 0 HD11 LEU A 115 13.059 0.994 23.734 1.00 19.81 H new ATOM 0 HD12 LEU A 115 12.591 0.859 25.241 1.00 19.81 H new ATOM 0 HD13 LEU A 115 11.543 0.681 24.067 1.00 19.81 H new ATOM 0 HD21 LEU A 115 12.432 3.038 22.410 1.00 14.05 H new ATOM 0 HD22 LEU A 115 10.915 2.663 22.666 1.00 14.05 H new ATOM 0 HD23 LEU A 115 11.449 4.105 23.043 1.00 14.05 H new ATOM 924 N ASP A 116 8.317 4.068 27.111 1.00 12.44 N ATOM 925 CA ASP A 116 6.920 3.846 27.488 1.00 14.54 C ATOM 926 C ASP A 116 5.918 4.836 26.874 1.00 13.31 C ATOM 927 O ASP A 116 4.699 4.621 26.946 1.00 14.14 O ATOM 928 CB ASP A 116 6.763 3.795 29.013 1.00 21.41 C ATOM 929 CG ASP A 116 7.258 5.048 29.694 1.00 26.47 C ATOM 930 OD1 ASP A 116 8.489 5.214 29.835 1.00 29.71 O ATOM 931 OD2 ASP A 116 6.410 5.865 30.099 1.00 32.91 O ATOM 0 H ASP A 116 8.832 4.320 27.752 1.00 12.44 H new ATOM 0 HA ASP A 116 6.694 2.983 27.107 1.00 14.54 H new ATOM 0 HB2 ASP A 116 5.828 3.660 29.233 1.00 21.41 H new ATOM 0 HB3 ASP A 116 7.249 3.030 29.359 1.00 21.41 H new ATOM 932 N GLN A 117 6.424 5.923 26.287 1.00 13.67 N ATOM 933 CA GLN A 117 5.568 6.926 25.620 1.00 12.62 C ATOM 934 C GLN A 117 5.007 6.367 24.303 1.00 11.31 C ATOM 935 O GLN A 117 4.035 6.882 23.749 1.00 11.47 O ATOM 936 CB GLN A 117 6.367 8.197 25.314 1.00 13.67 C ATOM 937 CG GLN A 117 7.486 7.991 24.333 1.00 10.29 C ATOM 938 CD GLN A 117 8.262 9.239 24.110 1.00 9.83 C ATOM 939 OE1 GLN A 117 7.703 10.266 23.731 1.00 13.34 O ATOM 940 NE2 GLN A 117 9.556 9.180 24.360 1.00 11.19 N ATOM 0 H GLN A 117 7.264 6.104 26.261 1.00 13.67 H new ATOM 0 HA GLN A 117 4.837 7.138 26.221 1.00 12.62 H new ATOM 0 HB2 GLN A 117 5.764 8.872 24.966 1.00 13.67 H new ATOM 0 HB3 GLN A 117 6.734 8.545 26.142 1.00 13.67 H new ATOM 0 HG2 GLN A 117 8.078 7.296 24.660 1.00 10.29 H new ATOM 0 HG3 GLN A 117 7.123 7.681 23.489 1.00 10.29 H new ATOM 0 HE21 GLN A 117 9.910 8.442 24.624 1.00 11.19 H new ATOM 0 HE22 GLN A 117 10.046 9.880 24.259 1.00 11.19 H new ATOM 941 N TRP A 118 5.628 5.297 23.822 1.00 11.26 N ATOM 942 CA TRP A 118 5.219 4.633 22.594 1.00 12.82 C ATOM 943 C TRP A 118 4.198 3.522 22.846 1.00 17.14 C ATOM 944 O TRP A 118 3.721 2.875 21.912 1.00 20.75 O ATOM 945 CB TRP A 118 6.464 4.071 21.915 1.00 11.07 C ATOM 946 CG TRP A 118 7.423 5.129 21.610 1.00 6.30 C ATOM 947 CD1 TRP A 118 8.638 5.306 22.162 1.00 9.39 C ATOM 948 CD2 TRP A 118 7.231 6.211 20.683 1.00 8.11 C ATOM 949 NE1 TRP A 118 9.228 6.433 21.644 1.00 10.41 N ATOM 950 CE2 TRP A 118 8.383 7.009 20.734 1.00 7.64 C ATOM 951 CE3 TRP A 118 6.192 6.575 19.810 1.00 5.71 C ATOM 952 CZ2 TRP A 118 8.537 8.165 19.945 1.00 12.77 C ATOM 953 CZ3 TRP A 118 6.343 7.723 19.023 1.00 11.12 C ATOM 954 CH2 TRP A 118 7.505 8.502 19.098 1.00 5.94 C ATOM 0 H TRP A 118 6.307 4.933 24.205 1.00 11.26 H new ATOM 0 HA TRP A 118 4.782 5.282 22.021 1.00 12.82 H new ATOM 0 HB2 TRP A 118 6.880 3.411 22.491 1.00 11.07 H new ATOM 0 HB3 TRP A 118 6.211 3.615 21.097 1.00 11.07 H new ATOM 0 HD1 TRP A 118 9.021 4.748 22.800 1.00 9.39 H new ATOM 0 HE1 TRP A 118 10.006 6.730 21.858 1.00 10.41 H new ATOM 0 HE3 TRP A 118 5.418 6.063 19.756 1.00 5.71 H new ATOM 0 HZ2 TRP A 118 9.308 8.682 19.994 1.00 12.77 H new ATOM 0 HZ3 TRP A 118 5.661 7.972 18.441 1.00 11.12 H new ATOM 0 HH2 TRP A 118 7.581 9.261 18.566 1.00 5.94 H new ATOM 955 N LEU A 119 3.877 3.304 24.119 1.00 19.45 N ATOM 956 CA LEU A 119 2.928 2.288 24.537 1.00 20.57 C ATOM 957 C LEU A 119 1.499 2.712 24.283 1.00 22.90 C ATOM 958 O LEU A 119 1.107 3.818 24.599 1.00 26.79 O ATOM 959 CB LEU A 119 3.075 2.020 26.038 1.00 19.83 C ATOM 960 CG LEU A 119 4.382 1.389 26.476 1.00 20.78 C ATOM 961 CD1 LEU A 119 4.400 1.249 27.961 1.00 22.72 C ATOM 962 CD2 LEU A 119 4.506 0.037 25.825 1.00 25.55 C ATOM 0 H LEU A 119 4.213 3.752 24.772 1.00 19.45 H new ATOM 0 HA LEU A 119 3.121 1.491 24.019 1.00 20.57 H new ATOM 0 HB2 LEU A 119 2.968 2.860 26.510 1.00 19.83 H new ATOM 0 HB3 LEU A 119 2.348 1.442 26.318 1.00 19.83 H new ATOM 0 HG LEU A 119 5.128 1.948 26.209 1.00 20.78 H new ATOM 0 HD11 LEU A 119 5.237 0.845 28.238 1.00 22.72 H new ATOM 0 HD12 LEU A 119 4.313 2.124 28.370 1.00 22.72 H new ATOM 0 HD13 LEU A 119 3.662 0.686 28.242 1.00 22.72 H new ATOM 0 HD21 LEU A 119 5.339 -0.378 26.097 1.00 25.55 H new ATOM 0 HD22 LEU A 119 3.762 -0.523 26.097 1.00 25.55 H new ATOM 0 HD23 LEU A 119 4.497 0.140 24.861 1.00 25.55 H new ATOM 963 N CYS A 120 0.713 1.824 23.711 1.00 28.61 N ATOM 964 CA CYS A 120 -0.672 2.123 23.483 1.00 34.52 C ATOM 965 C CYS A 120 -1.439 1.339 24.542 1.00 40.12 C ATOM 966 O CYS A 120 -1.885 1.973 25.533 1.00 45.28 O ATOM 967 CB CYS A 120 -1.096 1.663 22.109 1.00 35.95 C ATOM 968 SG CYS A 120 -2.893 1.804 21.933 1.00 44.97 S ATOM 0 H CYS A 120 0.965 1.045 23.449 1.00 28.61 H new ATOM 0 HA CYS A 120 -0.840 3.077 23.536 1.00 34.52 H new ATOM 0 HB2 CYS A 120 -0.654 2.197 21.431 1.00 35.95 H new ATOM 0 HB3 CYS A 120 -0.821 0.743 21.969 1.00 35.95 H new TER 969 CYS A 120 ATOM 970 N GLU B 1 -4.357 17.513 14.840 1.00 32.71 N ATOM 971 CA GLU B 1 -4.801 16.523 13.828 1.00 32.46 C ATOM 972 C GLU B 1 -3.578 16.097 13.023 1.00 30.68 C ATOM 973 O GLU B 1 -2.476 16.580 13.269 1.00 30.14 O ATOM 974 CB GLU B 1 -5.862 17.162 12.905 1.00 37.13 C ATOM 975 CG GLU B 1 -6.421 16.279 11.750 1.00 43.57 C ATOM 976 CD GLU B 1 -7.144 15.010 12.225 1.00 49.73 C ATOM 977 OE1 GLU B 1 -8.092 15.133 13.034 1.00 54.13 O ATOM 978 OE2 GLU B 1 -6.781 13.890 11.780 1.00 51.44 O ATOM 0 H1 GLU B 1 -5.006 18.105 14.981 1.00 32.71 H new ATOM 0 H2 GLU B 1 -4.167 17.094 15.602 1.00 32.71 H new ATOM 0 H3 GLU B 1 -3.631 17.935 14.545 1.00 32.71 H new ATOM 0 HA GLU B 1 -5.201 15.750 14.256 1.00 32.46 H new ATOM 0 HB2 GLU B 1 -6.609 17.446 13.456 1.00 37.13 H new ATOM 0 HB3 GLU B 1 -5.478 17.962 12.514 1.00 37.13 H new ATOM 0 HG2 GLU B 1 -7.035 16.809 11.218 1.00 43.57 H new ATOM 0 HG3 GLU B 1 -5.689 16.024 11.167 1.00 43.57 H new ATOM 979 N GLN B 2 -3.760 15.107 12.155 1.00 27.42 N ATOM 980 CA GLN B 2 -2.711 14.643 11.275 1.00 24.11 C ATOM 981 C GLN B 2 -3.117 15.248 9.939 1.00 19.36 C ATOM 982 O GLN B 2 -4.155 14.911 9.375 1.00 21.81 O ATOM 983 CB GLN B 2 -2.658 13.109 11.229 1.00 26.78 C ATOM 984 CG GLN B 2 -1.899 12.504 12.386 1.00 32.66 C ATOM 985 CD GLN B 2 -1.657 11.013 12.246 1.00 40.18 C ATOM 986 OE1 GLN B 2 -0.548 10.582 11.930 1.00 46.40 O ATOM 987 NE2 GLN B 2 -2.680 10.216 12.516 1.00 41.37 N ATOM 0 H GLN B 2 -4.504 14.686 12.064 1.00 27.42 H new ATOM 0 HA GLN B 2 -1.819 14.904 11.554 1.00 24.11 H new ATOM 0 HB2 GLN B 2 -3.563 12.760 11.226 1.00 26.78 H new ATOM 0 HB3 GLN B 2 -2.244 12.830 10.397 1.00 26.78 H new ATOM 0 HG2 GLN B 2 -1.045 12.955 12.473 1.00 32.66 H new ATOM 0 HG3 GLN B 2 -2.391 12.668 13.206 1.00 32.66 H new ATOM 0 HE21 GLN B 2 -3.441 10.552 12.734 1.00 41.37 H new ATOM 0 HE22 GLN B 2 -2.583 9.363 12.474 1.00 41.37 H new ATOM 988 N LEU B 3 -2.370 16.253 9.527 1.00 16.16 N ATOM 989 CA LEU B 3 -2.642 16.959 8.304 1.00 13.87 C ATOM 990 C LEU B 3 -2.008 16.192 7.169 1.00 14.06 C ATOM 991 O LEU B 3 -1.108 15.395 7.401 1.00 17.37 O ATOM 992 CB LEU B 3 -2.006 18.345 8.382 1.00 14.40 C ATOM 993 CG LEU B 3 -2.726 19.565 8.972 1.00 18.55 C ATOM 994 CD1 LEU B 3 -3.446 19.236 10.263 1.00 18.89 C ATOM 995 CD2 LEU B 3 -1.704 20.704 9.178 1.00 16.71 C ATOM 0 H LEU B 3 -1.684 16.545 9.957 1.00 16.16 H new ATOM 0 HA LEU B 3 -3.598 17.044 8.165 1.00 13.87 H new ATOM 0 HB2 LEU B 3 -1.183 18.242 8.885 1.00 14.40 H new ATOM 0 HB3 LEU B 3 -1.757 18.585 7.476 1.00 14.40 H new ATOM 0 HG LEU B 3 -3.409 19.851 8.345 1.00 18.55 H new ATOM 0 HD11 LEU B 3 -3.886 20.032 10.600 1.00 18.89 H new ATOM 0 HD12 LEU B 3 -4.108 18.547 10.098 1.00 18.89 H new ATOM 0 HD13 LEU B 3 -2.806 18.918 10.919 1.00 18.89 H new ATOM 0 HD21 LEU B 3 -2.153 21.479 9.551 1.00 16.71 H new ATOM 0 HD22 LEU B 3 -1.009 20.409 9.787 1.00 16.71 H new ATOM 0 HD23 LEU B 3 -1.307 20.941 8.325 1.00 16.71 H new ATOM 996 N THR B 4 -2.441 16.463 5.940 1.00 14.63 N ATOM 997 CA THR B 4 -1.884 15.813 4.753 1.00 12.15 C ATOM 998 C THR B 4 -0.832 16.712 4.161 1.00 12.34 C ATOM 999 O THR B 4 -0.706 17.861 4.554 1.00 18.13 O ATOM 1000 CB THR B 4 -2.930 15.646 3.680 1.00 12.82 C ATOM 1001 OG1 THR B 4 -3.389 16.938 3.276 1.00 16.23 O ATOM 1002 CG2 THR B 4 -4.111 14.847 4.213 1.00 12.82 C ATOM 0 H THR B 4 -3.066 17.029 5.770 1.00 14.63 H new ATOM 0 HA THR B 4 -1.536 14.950 5.026 1.00 12.15 H new ATOM 0 HB THR B 4 -2.541 15.173 2.928 1.00 12.82 H new ATOM 0 HG1 THR B 4 -3.972 16.854 2.677 1.00 16.23 H new ATOM 0 HG21 THR B 4 -4.776 14.747 3.514 1.00 12.82 H new ATOM 0 HG22 THR B 4 -3.807 13.971 4.498 1.00 12.82 H new ATOM 0 HG23 THR B 4 -4.503 15.314 4.967 1.00 12.82 H new ATOM 1003 N LYS B 5 -0.118 16.216 3.167 1.00 13.08 N ATOM 1004 CA LYS B 5 0.909 17.004 2.502 1.00 13.43 C ATOM 1005 C LYS B 5 0.339 18.345 2.026 1.00 12.30 C ATOM 1006 O LYS B 5 0.903 19.401 2.266 1.00 12.74 O ATOM 1007 CB LYS B 5 1.463 16.226 1.299 1.00 13.00 C ATOM 1008 CG LYS B 5 2.692 16.869 0.663 1.00 18.00 C ATOM 1009 CD LYS B 5 3.181 16.102 -0.547 1.00 21.76 C ATOM 1010 CE LYS B 5 2.169 16.188 -1.694 1.00 25.19 C ATOM 1011 NZ LYS B 5 2.747 15.733 -3.011 1.00 27.77 N ATOM 0 H LYS B 5 -0.212 15.419 2.858 1.00 13.08 H new ATOM 0 HA LYS B 5 1.623 17.176 3.136 1.00 13.43 H new ATOM 0 HB2 LYS B 5 1.689 15.326 1.583 1.00 13.00 H new ATOM 0 HB3 LYS B 5 0.767 16.145 0.628 1.00 13.00 H new ATOM 0 HG2 LYS B 5 2.480 17.779 0.402 1.00 18.00 H new ATOM 0 HG3 LYS B 5 3.404 16.921 1.320 1.00 18.00 H new ATOM 0 HD2 LYS B 5 4.035 16.458 -0.837 1.00 21.76 H new ATOM 0 HD3 LYS B 5 3.327 15.173 -0.309 1.00 21.76 H new ATOM 0 HE2 LYS B 5 1.395 15.645 -1.479 1.00 25.19 H new ATOM 0 HE3 LYS B 5 1.859 17.103 -1.779 1.00 25.19 H new ATOM 0 HZ1 LYS B 5 2.143 15.247 -3.448 1.00 27.77 H new ATOM 0 HZ2 LYS B 5 2.966 16.443 -3.501 1.00 27.77 H new ATOM 0 HZ3 LYS B 5 3.473 15.240 -2.862 1.00 27.77 H new ATOM 1012 N CYS B 6 -0.798 18.298 1.353 1.00 15.65 N ATOM 1013 CA CYS B 6 -1.430 19.501 0.836 1.00 17.58 C ATOM 1014 C CYS B 6 -1.997 20.460 1.883 1.00 15.95 C ATOM 1015 O CYS B 6 -2.049 21.669 1.646 1.00 14.56 O ATOM 1016 CB CYS B 6 -2.483 19.137 -0.208 1.00 25.30 C ATOM 1017 SG CYS B 6 -1.782 18.620 -1.807 1.00 29.81 S ATOM 0 H CYS B 6 -1.225 17.571 1.183 1.00 15.65 H new ATOM 0 HA CYS B 6 -0.710 20.005 0.426 1.00 17.58 H new ATOM 0 HB2 CYS B 6 -3.037 18.421 0.140 1.00 25.30 H new ATOM 0 HB3 CYS B 6 -3.063 19.901 -0.350 1.00 25.30 H new ATOM 1018 N GLU B 7 -2.413 19.934 3.036 1.00 15.02 N ATOM 1019 CA GLU B 7 -2.918 20.793 4.107 1.00 14.07 C ATOM 1020 C GLU B 7 -1.746 21.594 4.690 1.00 12.78 C ATOM 1021 O GLU B 7 -1.843 22.797 4.877 1.00 14.94 O ATOM 1022 CB GLU B 7 -3.642 19.982 5.194 1.00 12.39 C ATOM 1023 CG GLU B 7 -4.992 19.425 4.719 1.00 17.69 C ATOM 1024 CD GLU B 7 -5.699 18.505 5.715 1.00 19.90 C ATOM 1025 OE1 GLU B 7 -5.047 17.931 6.607 1.00 22.16 O ATOM 1026 OE2 GLU B 7 -6.931 18.338 5.585 1.00 23.00 O ATOM 0 H GLU B 7 -2.411 19.093 3.216 1.00 15.02 H new ATOM 0 HA GLU B 7 -3.576 21.404 3.741 1.00 14.07 H new ATOM 0 HB2 GLU B 7 -3.075 19.247 5.476 1.00 12.39 H new ATOM 0 HB3 GLU B 7 -3.784 20.545 5.971 1.00 12.39 H new ATOM 0 HG2 GLU B 7 -5.579 20.169 4.514 1.00 17.69 H new ATOM 0 HG3 GLU B 7 -4.852 18.938 3.892 1.00 17.69 H new ATOM 1027 N VAL B 8 -0.626 20.931 4.926 1.00 9.98 N ATOM 1028 CA VAL B 8 0.551 21.577 5.464 1.00 12.07 C ATOM 1029 C VAL B 8 1.101 22.585 4.440 1.00 12.80 C ATOM 1030 O VAL B 8 1.531 23.663 4.806 1.00 14.42 O ATOM 1031 CB VAL B 8 1.616 20.503 5.917 1.00 11.02 C ATOM 1032 CG1 VAL B 8 1.985 19.638 4.800 1.00 15.93 C ATOM 1033 CG2 VAL B 8 2.870 21.155 6.432 1.00 13.60 C ATOM 0 H VAL B 8 -0.529 20.090 4.777 1.00 9.98 H new ATOM 0 HA VAL B 8 0.319 22.078 6.261 1.00 12.07 H new ATOM 0 HB VAL B 8 1.205 19.983 6.625 1.00 11.02 H new ATOM 0 HG11 VAL B 8 2.639 18.986 5.098 1.00 15.93 H new ATOM 0 HG12 VAL B 8 1.196 19.178 4.472 1.00 15.93 H new ATOM 0 HG13 VAL B 8 2.365 20.174 4.087 1.00 15.93 H new ATOM 0 HG21 VAL B 8 3.503 20.471 6.702 1.00 13.60 H new ATOM 0 HG22 VAL B 8 3.262 21.700 5.732 1.00 13.60 H new ATOM 0 HG23 VAL B 8 2.654 21.714 7.195 1.00 13.60 H new ATOM 1034 N PHE B 9 1.031 22.264 3.152 1.00 17.12 N ATOM 1035 CA PHE B 9 1.495 23.176 2.104 1.00 14.80 C ATOM 1036 C PHE B 9 0.796 24.544 2.221 1.00 11.54 C ATOM 1037 O PHE B 9 1.438 25.592 2.221 1.00 12.74 O ATOM 1038 CB PHE B 9 1.227 22.568 0.716 1.00 18.06 C ATOM 1039 CG PHE B 9 2.063 23.172 -0.375 1.00 16.39 C ATOM 1040 CD1 PHE B 9 3.394 22.816 -0.513 1.00 19.11 C ATOM 1041 CD2 PHE B 9 1.542 24.151 -1.209 1.00 20.94 C ATOM 1042 CE1 PHE B 9 4.201 23.431 -1.455 1.00 21.51 C ATOM 1043 CE2 PHE B 9 2.343 24.776 -2.162 1.00 19.56 C ATOM 1044 CZ PHE B 9 3.671 24.418 -2.281 1.00 20.32 C ATOM 0 H PHE B 9 0.717 21.519 2.860 1.00 17.12 H new ATOM 0 HA PHE B 9 2.450 23.307 2.216 1.00 14.80 H new ATOM 0 HB2 PHE B 9 1.395 21.613 0.751 1.00 18.06 H new ATOM 0 HB3 PHE B 9 0.289 22.683 0.496 1.00 18.06 H new ATOM 0 HD1 PHE B 9 3.751 22.155 0.035 1.00 19.11 H new ATOM 0 HD2 PHE B 9 0.647 24.393 -1.131 1.00 20.94 H new ATOM 0 HE1 PHE B 9 5.094 23.185 -1.536 1.00 21.51 H new ATOM 0 HE2 PHE B 9 1.985 25.432 -2.716 1.00 19.56 H new ATOM 0 HZ PHE B 9 4.211 24.836 -2.912 1.00 20.32 H new ATOM 1045 N GLN B 10 -0.518 24.519 2.386 1.00 12.13 N ATOM 1046 CA GLN B 10 -1.304 25.745 2.511 1.00 16.47 C ATOM 1047 C GLN B 10 -1.079 26.455 3.851 1.00 14.85 C ATOM 1048 O GLN B 10 -0.953 27.673 3.906 1.00 18.60 O ATOM 1049 CB GLN B 10 -2.794 25.433 2.319 1.00 18.27 C ATOM 1050 CG GLN B 10 -3.117 24.721 0.996 1.00 34.07 C ATOM 1051 CD GLN B 10 -2.715 25.526 -0.262 1.00 41.68 C ATOM 1052 OE1 GLN B 10 -2.933 26.742 -0.344 1.00 46.60 O ATOM 1053 NE2 GLN B 10 -2.127 24.842 -1.241 1.00 45.29 N ATOM 0 H GLN B 10 -0.981 23.796 2.429 1.00 12.13 H new ATOM 0 HA GLN B 10 -1.004 26.351 1.816 1.00 16.47 H new ATOM 0 HB2 GLN B 10 -3.097 24.880 3.056 1.00 18.27 H new ATOM 0 HB3 GLN B 10 -3.297 26.262 2.361 1.00 18.27 H new ATOM 0 HG2 GLN B 10 -2.662 23.864 0.980 1.00 34.07 H new ATOM 0 HG3 GLN B 10 -4.069 24.537 0.961 1.00 34.07 H new ATOM 0 HE21 GLN B 10 -1.990 23.998 -1.153 1.00 45.29 H new ATOM 0 HE22 GLN B 10 -1.884 25.245 -1.961 1.00 45.29 H new ATOM 1054 N LYS B 11 -1.006 25.689 4.929 1.00 12.52 N ATOM 1055 CA LYS B 11 -0.808 26.254 6.264 1.00 14.13 C ATOM 1056 C LYS B 11 0.528 26.944 6.544 1.00 10.87 C ATOM 1057 O LYS B 11 0.586 27.859 7.350 1.00 17.79 O ATOM 1058 CB LYS B 11 -1.099 25.202 7.345 1.00 13.86 C ATOM 1059 CG LYS B 11 -2.549 24.790 7.399 1.00 19.00 C ATOM 1060 CD LYS B 11 -2.875 24.234 8.744 1.00 26.77 C ATOM 1061 CE LYS B 11 -4.344 23.957 8.893 1.00 27.96 C ATOM 1062 NZ LYS B 11 -4.615 23.888 10.355 1.00 33.40 N ATOM 0 H LYS B 11 -1.069 24.831 4.913 1.00 12.52 H new ATOM 0 HA LYS B 11 -1.451 26.980 6.294 1.00 14.13 H new ATOM 0 HB2 LYS B 11 -0.552 24.418 7.180 1.00 13.86 H new ATOM 0 HB3 LYS B 11 -0.837 25.554 8.210 1.00 13.86 H new ATOM 0 HG2 LYS B 11 -3.117 25.554 7.211 1.00 19.00 H new ATOM 0 HG3 LYS B 11 -2.730 24.127 6.715 1.00 19.00 H new ATOM 0 HD2 LYS B 11 -2.376 23.414 8.885 1.00 26.77 H new ATOM 0 HD3 LYS B 11 -2.593 24.860 9.430 1.00 26.77 H new ATOM 0 HE2 LYS B 11 -4.871 24.657 8.477 1.00 27.96 H new ATOM 0 HE3 LYS B 11 -4.584 23.124 8.458 1.00 27.96 H new ATOM 0 HZ1 LYS B 11 -5.479 23.724 10.490 1.00 33.40 H new ATOM 0 HZ2 LYS B 11 -4.130 23.235 10.717 1.00 33.40 H new ATOM 0 HZ3 LYS B 11 -4.398 24.663 10.734 1.00 33.40 H new ATOM 1063 N LEU B 12 1.599 26.516 5.902 1.00 9.13 N ATOM 1064 CA LEU B 12 2.888 27.149 6.133 1.00 10.70 C ATOM 1065 C LEU B 12 3.262 28.181 5.075 1.00 12.82 C ATOM 1066 O LEU B 12 4.415 28.576 4.982 1.00 14.99 O ATOM 1067 CB LEU B 12 3.982 26.089 6.235 1.00 9.26 C ATOM 1068 CG LEU B 12 3.677 24.964 7.234 1.00 8.56 C ATOM 1069 CD1 LEU B 12 4.863 24.004 7.198 1.00 2.00 C ATOM 1070 CD2 LEU B 12 3.409 25.513 8.655 1.00 6.32 C ATOM 0 H LEU B 12 1.605 25.869 5.335 1.00 9.13 H new ATOM 0 HA LEU B 12 2.807 27.631 6.971 1.00 10.70 H new ATOM 0 HB2 LEU B 12 4.124 25.699 5.358 1.00 9.26 H new ATOM 0 HB3 LEU B 12 4.812 26.519 6.492 1.00 9.26 H new ATOM 0 HG LEU B 12 2.863 24.499 6.986 1.00 8.56 H new ATOM 0 HD11 LEU B 12 4.708 23.275 7.819 1.00 2.00 H new ATOM 0 HD12 LEU B 12 4.965 23.648 6.301 1.00 2.00 H new ATOM 0 HD13 LEU B 12 5.671 24.478 7.451 1.00 2.00 H new ATOM 0 HD21 LEU B 12 3.221 24.776 9.257 1.00 6.32 H new ATOM 0 HD22 LEU B 12 4.190 25.994 8.969 1.00 6.32 H new ATOM 0 HD23 LEU B 12 2.648 26.113 8.632 1.00 6.32 H new ATOM 1071 N LYS B 13 2.274 28.645 4.316 1.00 19.11 N ATOM 1072 CA LYS B 13 2.477 29.628 3.258 1.00 20.63 C ATOM 1073 C LYS B 13 3.249 30.850 3.743 1.00 20.61 C ATOM 1074 O LYS B 13 4.135 31.372 3.056 1.00 19.56 O ATOM 1075 CB LYS B 13 1.128 30.060 2.694 1.00 22.54 C ATOM 1076 CG LYS B 13 0.501 29.040 1.758 1.00 32.31 C ATOM 1077 CD LYS B 13 1.487 28.610 0.671 1.00 36.92 C ATOM 1078 CE LYS B 13 0.813 28.337 -0.683 1.00 42.20 C ATOM 1079 NZ LYS B 13 -0.126 27.189 -0.714 1.00 41.78 N ATOM 0 H LYS B 13 1.456 28.394 4.403 1.00 19.11 H new ATOM 0 HA LYS B 13 3.009 29.206 2.566 1.00 20.63 H new ATOM 0 HB2 LYS B 13 0.519 30.230 3.429 1.00 22.54 H new ATOM 0 HB3 LYS B 13 1.239 30.898 2.218 1.00 22.54 H new ATOM 0 HG2 LYS B 13 0.216 28.264 2.265 1.00 32.31 H new ATOM 0 HG3 LYS B 13 -0.292 29.418 1.348 1.00 32.31 H new ATOM 0 HD2 LYS B 13 2.157 29.302 0.558 1.00 36.92 H new ATOM 0 HD3 LYS B 13 1.951 27.810 0.962 1.00 36.92 H new ATOM 0 HE2 LYS B 13 0.332 29.135 -0.953 1.00 42.20 H new ATOM 0 HE3 LYS B 13 1.505 28.186 -1.346 1.00 42.20 H new ATOM 0 HZ1 LYS B 13 -0.109 26.813 -1.521 1.00 41.78 H new ATOM 0 HZ2 LYS B 13 0.117 26.590 -0.103 1.00 41.78 H new ATOM 0 HZ3 LYS B 13 -0.950 27.475 -0.538 1.00 41.78 H new ATOM 1080 N ASP B 14 2.988 31.194 4.997 1.00 18.24 N ATOM 1081 CA ASP B 14 3.568 32.336 5.685 1.00 18.87 C ATOM 1082 C ASP B 14 5.078 32.277 5.688 1.00 15.37 C ATOM 1083 O ASP B 14 5.740 33.295 5.816 1.00 15.12 O ATOM 1084 CB ASP B 14 3.108 32.347 7.152 1.00 29.73 C ATOM 1085 CG ASP B 14 1.619 31.905 7.352 1.00 41.38 C ATOM 1086 OD1 ASP B 14 1.149 30.899 6.736 1.00 36.00 O ATOM 1087 OD2 ASP B 14 0.933 32.548 8.198 1.00 45.02 O ATOM 0 H ASP B 14 2.444 30.748 5.491 1.00 18.24 H new ATOM 0 HA ASP B 14 3.275 33.132 5.215 1.00 18.87 H new ATOM 0 HB2 ASP B 14 3.683 31.759 7.667 1.00 29.73 H new ATOM 0 HB3 ASP B 14 3.222 33.241 7.511 1.00 29.73 H new ATOM 1088 N LEU B 15 5.609 31.066 5.579 1.00 12.37 N ATOM 1089 CA LEU B 15 7.038 30.809 5.638 1.00 11.40 C ATOM 1090 C LEU B 15 7.799 30.752 4.326 1.00 11.23 C ATOM 1091 O LEU B 15 9.027 30.640 4.324 1.00 12.00 O ATOM 1092 CB LEU B 15 7.268 29.496 6.396 1.00 11.00 C ATOM 1093 CG LEU B 15 7.262 29.472 7.925 1.00 7.20 C ATOM 1094 CD1 LEU B 15 7.212 28.029 8.426 1.00 6.80 C ATOM 1095 CD2 LEU B 15 8.490 30.153 8.448 1.00 3.29 C ATOM 0 H LEU B 15 5.137 30.356 5.466 1.00 12.37 H new ATOM 0 HA LEU B 15 7.400 31.590 6.085 1.00 11.40 H new ATOM 0 HB2 LEU B 15 6.590 28.870 6.097 1.00 11.00 H new ATOM 0 HB3 LEU B 15 8.125 29.145 6.107 1.00 11.00 H new ATOM 0 HG LEU B 15 6.477 29.943 8.246 1.00 7.20 H new ATOM 0 HD11 LEU B 15 7.209 28.023 9.396 1.00 6.80 H new ATOM 0 HD12 LEU B 15 6.406 27.600 8.098 1.00 6.80 H new ATOM 0 HD13 LEU B 15 7.989 27.547 8.103 1.00 6.80 H new ATOM 0 HD21 LEU B 15 8.482 30.135 9.418 1.00 3.29 H new ATOM 0 HD22 LEU B 15 9.279 29.692 8.123 1.00 3.29 H new ATOM 0 HD23 LEU B 15 8.505 31.073 8.142 1.00 3.29 H new ATOM 1096 N LYS B 16 7.079 30.794 3.217 1.00 13.12 N ATOM 1097 CA LYS B 16 7.676 30.714 1.885 1.00 12.09 C ATOM 1098 C LYS B 16 8.871 31.648 1.661 1.00 12.52 C ATOM 1099 O LYS B 16 8.714 32.858 1.652 1.00 10.96 O ATOM 1100 CB LYS B 16 6.592 30.995 0.862 1.00 13.18 C ATOM 1101 CG LYS B 16 7.055 31.010 -0.558 1.00 19.63 C ATOM 1102 CD LYS B 16 5.919 31.474 -1.451 1.00 24.85 C ATOM 1103 CE LYS B 16 6.352 31.536 -2.915 1.00 29.90 C ATOM 1104 NZ LYS B 16 5.330 32.235 -3.766 1.00 33.27 N ATOM 0 H LYS B 16 6.222 30.870 3.211 1.00 13.12 H new ATOM 0 HA LYS B 16 8.038 29.819 1.790 1.00 12.09 H new ATOM 0 HB2 LYS B 16 5.897 30.325 0.955 1.00 13.18 H new ATOM 0 HB3 LYS B 16 6.188 31.853 1.066 1.00 13.18 H new ATOM 0 HG2 LYS B 16 7.818 31.601 -0.654 1.00 19.63 H new ATOM 0 HG3 LYS B 16 7.348 30.124 -0.823 1.00 19.63 H new ATOM 0 HD2 LYS B 16 5.166 30.870 -1.360 1.00 24.85 H new ATOM 0 HD3 LYS B 16 5.616 32.350 -1.164 1.00 24.85 H new ATOM 0 HE2 LYS B 16 7.201 31.999 -2.982 1.00 29.90 H new ATOM 0 HE3 LYS B 16 6.492 30.637 -3.250 1.00 29.90 H new ATOM 0 HZ1 LYS B 16 5.610 32.255 -4.611 1.00 33.27 H new ATOM 0 HZ2 LYS B 16 4.556 31.797 -3.721 1.00 33.27 H new ATOM 0 HZ3 LYS B 16 5.217 33.067 -3.472 1.00 33.27 H new ATOM 1105 N ASP B 17 10.064 31.077 1.498 1.00 13.39 N ATOM 1106 CA ASP B 17 11.308 31.835 1.263 1.00 14.65 C ATOM 1107 C ASP B 17 11.933 32.520 2.472 1.00 13.96 C ATOM 1108 O ASP B 17 12.959 33.196 2.341 1.00 11.63 O ATOM 1109 CB ASP B 17 11.158 32.879 0.142 1.00 19.61 C ATOM 1110 CG ASP B 17 10.900 32.258 -1.216 1.00 19.98 C ATOM 1111 OD1 ASP B 17 11.406 31.143 -1.472 1.00 24.30 O ATOM 1112 OD2 ASP B 17 10.184 32.900 -2.022 1.00 18.80 O ATOM 0 H ASP B 17 10.181 30.225 1.520 1.00 13.39 H new ATOM 0 HA ASP B 17 11.919 31.127 1.004 1.00 14.65 H new ATOM 0 HB2 ASP B 17 10.428 33.479 0.361 1.00 19.61 H new ATOM 0 HB3 ASP B 17 11.964 33.417 0.098 1.00 19.61 H new ATOM 1113 N TYR B 18 11.365 32.314 3.651 1.00 10.99 N ATOM 1114 CA TYR B 18 11.913 32.943 4.831 1.00 8.43 C ATOM 1115 C TYR B 18 13.293 32.346 5.084 1.00 7.81 C ATOM 1116 O TYR B 18 13.467 31.134 5.067 1.00 12.64 O ATOM 1117 CB TYR B 18 10.958 32.769 6.012 1.00 10.02 C ATOM 1118 CG TYR B 18 11.428 33.470 7.251 1.00 14.55 C ATOM 1119 CD1 TYR B 18 12.351 32.862 8.108 1.00 14.95 C ATOM 1120 CD2 TYR B 18 10.987 34.756 7.548 1.00 15.39 C ATOM 1121 CE1 TYR B 18 12.826 33.514 9.227 1.00 20.48 C ATOM 1122 CE2 TYR B 18 11.452 35.427 8.669 1.00 17.12 C ATOM 1123 CZ TYR B 18 12.374 34.804 9.507 1.00 22.67 C ATOM 1124 OH TYR B 18 12.844 35.467 10.629 1.00 27.27 O ATOM 0 H TYR B 18 10.673 31.821 3.785 1.00 10.99 H new ATOM 0 HA TYR B 18 12.014 33.900 4.707 1.00 8.43 H new ATOM 0 HB2 TYR B 18 10.083 33.108 5.767 1.00 10.02 H new ATOM 0 HB3 TYR B 18 10.854 31.823 6.201 1.00 10.02 H new ATOM 0 HD1 TYR B 18 12.650 32.002 7.920 1.00 14.95 H new ATOM 0 HD2 TYR B 18 10.372 35.171 6.987 1.00 15.39 H new ATOM 0 HE1 TYR B 18 13.440 33.099 9.788 1.00 20.48 H new ATOM 0 HE2 TYR B 18 11.151 36.286 8.860 1.00 17.12 H new ATOM 0 HH TYR B 18 13.657 35.288 10.741 1.00 27.27 H new ATOM 1125 N GLY B 19 14.293 33.191 5.270 1.00 7.22 N ATOM 1126 CA GLY B 19 15.631 32.684 5.469 1.00 4.09 C ATOM 1127 C GLY B 19 16.155 31.953 4.232 1.00 13.02 C ATOM 1128 O GLY B 19 17.184 31.286 4.290 1.00 17.34 O ATOM 0 H GLY B 19 14.218 34.048 5.284 1.00 7.22 H new ATOM 0 HA2 GLY B 19 16.226 33.419 5.686 1.00 4.09 H new ATOM 0 HA3 GLY B 19 15.638 32.080 6.228 1.00 4.09 H new ATOM 1129 N GLY B 20 15.468 32.084 3.100 1.00 16.14 N ATOM 1130 CA GLY B 20 15.898 31.404 1.891 1.00 15.97 C ATOM 1131 C GLY B 20 15.293 30.016 1.713 1.00 18.43 C ATOM 1132 O GLY B 20 15.458 29.377 0.668 1.00 23.51 O ATOM 0 H GLY B 20 14.756 32.559 3.015 1.00 16.14 H new ATOM 0 HA2 GLY B 20 15.665 31.949 1.124 1.00 15.97 H new ATOM 0 HA3 GLY B 20 16.865 31.327 1.901 1.00 15.97 H new ATOM 1133 N VAL B 21 14.539 29.554 2.703 1.00 17.08 N ATOM 1134 CA VAL B 21 13.947 28.229 2.640 1.00 12.33 C ATOM 1135 C VAL B 21 12.648 28.231 1.877 1.00 9.29 C ATOM 1136 O VAL B 21 11.662 28.832 2.304 1.00 12.32 O ATOM 1137 CB VAL B 21 13.747 27.624 4.059 1.00 7.36 C ATOM 1138 CG1 VAL B 21 13.390 26.163 3.967 1.00 7.24 C ATOM 1139 CG2 VAL B 21 14.992 27.794 4.889 1.00 7.85 C ATOM 0 H VAL B 21 14.359 29.994 3.420 1.00 17.08 H new ATOM 0 HA VAL B 21 14.573 27.666 2.158 1.00 12.33 H new ATOM 0 HB VAL B 21 13.018 28.099 4.488 1.00 7.36 H new ATOM 0 HG11 VAL B 21 13.269 25.802 4.859 1.00 7.24 H new ATOM 0 HG12 VAL B 21 12.567 26.062 3.464 1.00 7.24 H new ATOM 0 HG13 VAL B 21 14.104 25.683 3.519 1.00 7.24 H new ATOM 0 HG21 VAL B 21 14.849 27.412 5.769 1.00 7.85 H new ATOM 0 HG22 VAL B 21 15.733 27.342 4.457 1.00 7.85 H new ATOM 0 HG23 VAL B 21 15.196 28.738 4.977 1.00 7.85 H new ATOM 1140 N SER B 22 12.651 27.532 0.751 1.00 9.83 N ATOM 1141 CA SER B 22 11.478 27.417 -0.109 1.00 7.79 C ATOM 1142 C SER B 22 10.362 26.675 0.589 1.00 6.12 C ATOM 1143 O SER B 22 10.586 25.982 1.558 1.00 6.87 O ATOM 1144 CB SER B 22 11.848 26.672 -1.388 1.00 6.67 C ATOM 1145 OG SER B 22 12.550 25.474 -1.105 1.00 9.83 O ATOM 0 H SER B 22 13.339 27.106 0.460 1.00 9.83 H new ATOM 0 HA SER B 22 11.172 28.313 -0.321 1.00 7.79 H new ATOM 0 HB2 SER B 22 11.043 26.466 -1.889 1.00 6.67 H new ATOM 0 HB3 SER B 22 12.394 27.243 -1.951 1.00 6.67 H new ATOM 0 HG SER B 22 12.740 25.084 -1.824 1.00 9.83 H new ATOM 1146 N LEU B 23 9.154 26.811 0.073 1.00 6.39 N ATOM 1147 CA LEU B 23 8.019 26.138 0.660 1.00 11.30 C ATOM 1148 C LEU B 23 8.181 24.604 0.620 1.00 13.99 C ATOM 1149 O LEU B 23 7.999 23.945 1.646 1.00 20.28 O ATOM 1150 CB LEU B 23 6.741 26.585 -0.045 1.00 11.64 C ATOM 1151 CG LEU B 23 5.357 26.457 0.580 1.00 14.09 C ATOM 1152 CD1 LEU B 23 5.366 26.880 2.044 1.00 16.72 C ATOM 1153 CD2 LEU B 23 4.409 27.332 -0.228 1.00 12.70 C ATOM 0 H LEU B 23 8.972 27.290 -0.618 1.00 6.39 H new ATOM 0 HA LEU B 23 7.963 26.384 1.596 1.00 11.30 H new ATOM 0 HB2 LEU B 23 6.860 27.523 -0.260 1.00 11.64 H new ATOM 0 HB3 LEU B 23 6.708 26.103 -0.886 1.00 11.64 H new ATOM 0 HG LEU B 23 5.069 25.531 0.560 1.00 14.09 H new ATOM 0 HD11 LEU B 23 4.474 26.788 2.413 1.00 16.72 H new ATOM 0 HD12 LEU B 23 5.980 26.317 2.540 1.00 16.72 H new ATOM 0 HD13 LEU B 23 5.650 27.805 2.112 1.00 16.72 H new ATOM 0 HD21 LEU B 23 3.516 27.273 0.146 1.00 12.70 H new ATOM 0 HD22 LEU B 23 4.712 28.253 -0.196 1.00 12.70 H new ATOM 0 HD23 LEU B 23 4.394 27.029 -1.149 1.00 12.70 H new ATOM 1154 N PRO B 24 8.537 24.010 -0.544 1.00 14.22 N ATOM 1155 CA PRO B 24 8.681 22.549 -0.543 1.00 11.59 C ATOM 1156 C PRO B 24 9.702 22.054 0.481 1.00 11.39 C ATOM 1157 O PRO B 24 9.568 20.952 1.020 1.00 11.24 O ATOM 1158 CB PRO B 24 9.062 22.240 -1.997 1.00 6.47 C ATOM 1159 CG PRO B 24 9.634 23.545 -2.491 1.00 8.13 C ATOM 1160 CD PRO B 24 8.684 24.519 -1.917 1.00 10.99 C ATOM 0 HA PRO B 24 7.874 22.086 -0.269 1.00 11.59 H new ATOM 0 HB2 PRO B 24 9.711 21.521 -2.052 1.00 6.47 H new ATOM 0 HB3 PRO B 24 8.291 21.967 -2.519 1.00 6.47 H new ATOM 0 HG2 PRO B 24 10.540 23.689 -2.175 1.00 8.13 H new ATOM 0 HG3 PRO B 24 9.661 23.588 -3.460 1.00 8.13 H new ATOM 0 HD2 PRO B 24 9.033 25.424 -1.936 1.00 10.99 H new ATOM 0 HD3 PRO B 24 7.840 24.531 -2.395 1.00 10.99 H new ATOM 1161 N GLU B 25 10.672 22.903 0.808 1.00 11.71 N ATOM 1162 CA GLU B 25 11.673 22.561 1.801 1.00 9.67 C ATOM 1163 C GLU B 25 11.100 22.540 3.206 1.00 8.03 C ATOM 1164 O GLU B 25 11.634 21.867 4.054 1.00 12.99 O ATOM 1165 CB GLU B 25 12.807 23.554 1.773 1.00 20.10 C ATOM 1166 CG GLU B 25 13.816 23.325 0.689 1.00 32.82 C ATOM 1167 CD GLU B 25 15.098 24.118 0.941 1.00 41.66 C ATOM 1168 OE1 GLU B 25 15.660 24.031 2.071 1.00 42.42 O ATOM 1169 OE2 GLU B 25 15.531 24.828 0.003 1.00 45.37 O ATOM 0 H GLU B 25 10.765 23.685 0.462 1.00 11.71 H new ATOM 0 HA GLU B 25 11.991 21.673 1.576 1.00 9.67 H new ATOM 0 HB2 GLU B 25 12.438 24.445 1.671 1.00 20.10 H new ATOM 0 HB3 GLU B 25 13.261 23.532 2.630 1.00 20.10 H new ATOM 0 HG2 GLU B 25 14.025 22.379 0.634 1.00 32.82 H new ATOM 0 HG3 GLU B 25 13.438 23.582 -0.166 1.00 32.82 H new ATOM 1170 N TRP B 26 10.085 23.349 3.481 1.00 5.84 N ATOM 1171 CA TRP B 26 9.425 23.379 4.795 1.00 6.76 C ATOM 1172 C TRP B 26 8.521 22.151 4.987 1.00 6.18 C ATOM 1173 O TRP B 26 8.414 21.622 6.083 1.00 8.89 O ATOM 1174 CB TRP B 26 8.576 24.659 4.954 1.00 6.56 C ATOM 1175 CG TRP B 26 9.371 25.911 5.264 1.00 7.36 C ATOM 1176 CD1 TRP B 26 9.501 27.008 4.471 1.00 7.49 C ATOM 1177 CD2 TRP B 26 10.126 26.186 6.460 1.00 5.26 C ATOM 1178 NE1 TRP B 26 10.286 27.951 5.095 1.00 13.11 N ATOM 1179 CE2 TRP B 26 10.680 27.471 6.317 1.00 8.24 C ATOM 1180 CE3 TRP B 26 10.388 25.468 7.640 1.00 5.20 C ATOM 1181 CZ2 TRP B 26 11.480 28.058 7.303 1.00 9.62 C ATOM 1182 CZ3 TRP B 26 11.181 26.045 8.616 1.00 3.16 C ATOM 1183 CH2 TRP B 26 11.720 27.333 8.443 1.00 9.22 C ATOM 0 H TRP B 26 9.753 23.902 2.912 1.00 5.84 H new ATOM 0 HA TRP B 26 10.123 23.369 5.469 1.00 6.76 H new ATOM 0 HB2 TRP B 26 8.074 24.803 4.137 1.00 6.56 H new ATOM 0 HB3 TRP B 26 7.929 24.517 5.663 1.00 6.56 H new ATOM 0 HD1 TRP B 26 9.116 27.107 3.630 1.00 7.49 H new ATOM 0 HE1 TRP B 26 10.496 28.719 4.770 1.00 13.11 H new ATOM 0 HE3 TRP B 26 10.033 24.617 7.763 1.00 5.20 H new ATOM 0 HZ2 TRP B 26 11.837 28.909 7.190 1.00 9.62 H new ATOM 0 HZ3 TRP B 26 11.360 25.575 9.398 1.00 3.16 H new ATOM 0 HH2 TRP B 26 12.249 27.700 9.114 1.00 9.22 H new ATOM 1184 N VAL B 27 7.823 21.756 3.922 1.00 6.28 N ATOM 1185 CA VAL B 27 6.929 20.582 3.887 1.00 7.22 C ATOM 1186 C VAL B 27 7.763 19.314 4.096 1.00 8.06 C ATOM 1187 O VAL B 27 7.360 18.384 4.776 1.00 12.53 O ATOM 1188 CB VAL B 27 6.207 20.484 2.517 1.00 6.90 C ATOM 1189 CG1 VAL B 27 5.183 19.376 2.529 1.00 7.87 C ATOM 1190 CG2 VAL B 27 5.542 21.799 2.177 1.00 9.61 C ATOM 0 H VAL B 27 7.854 22.175 3.171 1.00 6.28 H new ATOM 0 HA VAL B 27 6.265 20.675 4.588 1.00 7.22 H new ATOM 0 HB VAL B 27 6.871 20.282 1.840 1.00 6.90 H new ATOM 0 HG11 VAL B 27 4.744 19.332 1.665 1.00 7.87 H new ATOM 0 HG12 VAL B 27 5.623 18.531 2.712 1.00 7.87 H new ATOM 0 HG13 VAL B 27 4.523 19.552 3.218 1.00 7.87 H new ATOM 0 HG21 VAL B 27 5.095 21.724 1.319 1.00 9.61 H new ATOM 0 HG22 VAL B 27 4.891 22.019 2.862 1.00 9.61 H new ATOM 0 HG23 VAL B 27 6.212 22.499 2.131 1.00 9.61 H new ATOM 1191 N CYS B 28 8.941 19.297 3.502 1.00 7.64 N ATOM 1192 CA CYS B 28 9.872 18.187 3.635 1.00 8.15 C ATOM 1193 C CYS B 28 10.340 18.084 5.075 1.00 6.95 C ATOM 1194 O CYS B 28 10.401 16.994 5.643 1.00 7.95 O ATOM 1195 CB CYS B 28 11.076 18.458 2.736 1.00 11.06 C ATOM 1196 SG CYS B 28 12.337 17.149 2.710 1.00 4.76 S ATOM 0 H CYS B 28 9.229 19.936 3.003 1.00 7.64 H new ATOM 0 HA CYS B 28 9.438 17.358 3.380 1.00 8.15 H new ATOM 0 HB2 CYS B 28 10.759 18.599 1.830 1.00 11.06 H new ATOM 0 HB3 CYS B 28 11.495 19.285 3.022 1.00 11.06 H new ATOM 1197 N THR B 29 10.648 19.244 5.652 1.00 7.02 N ATOM 1198 CA THR B 29 11.114 19.379 7.020 1.00 5.68 C ATOM 1199 C THR B 29 10.054 18.933 8.015 1.00 6.17 C ATOM 1200 O THR B 29 10.375 18.287 8.999 1.00 10.69 O ATOM 1201 CB THR B 29 11.529 20.857 7.318 1.00 6.97 C ATOM 1202 OG1 THR B 29 12.654 21.203 6.506 1.00 2.98 O ATOM 1203 CG2 THR B 29 11.933 21.038 8.792 1.00 2.00 C ATOM 0 H THR B 29 10.588 19.996 5.240 1.00 7.02 H new ATOM 0 HA THR B 29 11.889 18.804 7.120 1.00 5.68 H new ATOM 0 HB THR B 29 10.768 21.426 7.124 1.00 6.97 H new ATOM 0 HG1 THR B 29 12.390 21.415 5.737 1.00 2.98 H new ATOM 0 HG21 THR B 29 12.185 21.962 8.948 1.00 2.00 H new ATOM 0 HG22 THR B 29 11.184 20.807 9.364 1.00 2.00 H new ATOM 0 HG23 THR B 29 12.685 20.460 8.995 1.00 2.00 H new ATOM 1204 N ALA B 30 8.799 19.285 7.759 1.00 6.57 N ATOM 1205 CA ALA B 30 7.681 18.915 8.629 1.00 4.55 C ATOM 1206 C ALA B 30 7.432 17.418 8.591 1.00 7.16 C ATOM 1207 O ALA B 30 7.063 16.829 9.616 1.00 10.91 O ATOM 1208 CB ALA B 30 6.421 19.653 8.217 1.00 2.00 C ATOM 0 H ALA B 30 8.568 19.748 7.072 1.00 6.57 H new ATOM 0 HA ALA B 30 7.916 19.166 9.536 1.00 4.55 H new ATOM 0 HB1 ALA B 30 5.690 19.398 8.802 1.00 2.00 H new ATOM 0 HB2 ALA B 30 6.569 20.609 8.284 1.00 2.00 H new ATOM 0 HB3 ALA B 30 6.197 19.424 7.301 1.00 2.00 H new ATOM 1209 N PHE B 31 7.570 16.821 7.406 1.00 7.27 N ATOM 1210 CA PHE B 31 7.385 15.384 7.217 1.00 4.73 C ATOM 1211 C PHE B 31 8.367 14.657 8.090 1.00 7.15 C ATOM 1212 O PHE B 31 7.994 13.829 8.914 1.00 9.18 O ATOM 1213 CB PHE B 31 7.666 14.974 5.775 1.00 6.03 C ATOM 1214 CG PHE B 31 7.646 13.480 5.550 1.00 4.93 C ATOM 1215 CD1 PHE B 31 6.468 12.749 5.702 1.00 2.00 C ATOM 1216 CD2 PHE B 31 8.822 12.795 5.235 1.00 6.29 C ATOM 1217 CE1 PHE B 31 6.473 11.354 5.549 1.00 4.21 C ATOM 1218 CE2 PHE B 31 8.836 11.391 5.082 1.00 2.00 C ATOM 1219 CZ PHE B 31 7.670 10.681 5.240 1.00 2.00 C ATOM 0 H PHE B 31 7.775 17.243 6.685 1.00 7.27 H new ATOM 0 HA PHE B 31 6.467 15.165 7.440 1.00 4.73 H new ATOM 0 HB2 PHE B 31 7.008 15.389 5.196 1.00 6.03 H new ATOM 0 HB3 PHE B 31 8.533 15.320 5.512 1.00 6.03 H new ATOM 0 HD1 PHE B 31 5.674 13.189 5.906 1.00 2.00 H new ATOM 0 HD2 PHE B 31 9.612 13.273 5.124 1.00 6.29 H new ATOM 0 HE1 PHE B 31 5.684 10.873 5.652 1.00 4.21 H new ATOM 0 HE2 PHE B 31 9.629 10.950 4.876 1.00 2.00 H new ATOM 0 HZ PHE B 31 7.672 9.756 5.143 1.00 2.00 H new ATOM 1220 N HIS B 32 9.630 15.006 7.933 1.00 7.09 N ATOM 1221 CA HIS B 32 10.693 14.366 8.684 1.00 8.21 C ATOM 1222 C HIS B 32 10.738 14.632 10.190 1.00 9.49 C ATOM 1223 O HIS B 32 11.321 13.841 10.923 1.00 13.42 O ATOM 1224 CB HIS B 32 12.043 14.707 8.055 1.00 10.27 C ATOM 1225 CG HIS B 32 12.264 14.056 6.726 1.00 16.78 C ATOM 1226 ND1 HIS B 32 12.533 12.711 6.595 1.00 13.35 N ATOM 1227 CD2 HIS B 32 12.247 14.560 5.467 1.00 19.14 C ATOM 1228 CE1 HIS B 32 12.673 12.417 5.315 1.00 13.35 C ATOM 1229 NE2 HIS B 32 12.506 13.519 4.610 1.00 14.67 N ATOM 0 H HIS B 32 9.896 15.618 7.391 1.00 7.09 H new ATOM 0 HA HIS B 32 10.490 13.420 8.622 1.00 8.21 H new ATOM 0 HB2 HIS B 32 12.109 15.669 7.951 1.00 10.27 H new ATOM 0 HB3 HIS B 32 12.751 14.438 8.661 1.00 10.27 H new ATOM 0 HD1 HIS B 32 12.599 12.151 7.244 1.00 13.35 H new ATOM 0 HD2 HIS B 32 12.089 15.445 5.229 1.00 19.14 H new ATOM 0 HE1 HIS B 32 12.858 11.574 4.969 1.00 13.35 H new ATOM 1230 N THR B 33 10.100 15.711 10.640 1.00 10.00 N ATOM 1231 CA THR B 33 10.078 16.130 12.043 1.00 6.42 C ATOM 1232 C THR B 33 8.892 15.582 12.823 1.00 6.56 C ATOM 1233 O THR B 33 9.060 15.010 13.896 1.00 7.03 O ATOM 1234 CB THR B 33 10.076 17.694 12.129 1.00 6.75 C ATOM 1235 OG1 THR B 33 11.305 18.196 11.595 1.00 7.19 O ATOM 1236 CG2 THR B 33 9.910 18.184 13.533 1.00 2.00 C ATOM 0 H THR B 33 9.655 16.235 10.123 1.00 10.00 H new ATOM 0 HA THR B 33 10.878 15.762 12.451 1.00 6.42 H new ATOM 0 HB THR B 33 9.320 18.017 11.614 1.00 6.75 H new ATOM 0 HG1 THR B 33 11.233 18.286 10.763 1.00 7.19 H new ATOM 0 HG21 THR B 33 9.914 19.154 13.540 1.00 2.00 H new ATOM 0 HG22 THR B 33 9.068 17.862 13.891 1.00 2.00 H new ATOM 0 HG23 THR B 33 10.640 17.854 14.080 1.00 2.00 H new ATOM 1237 N SER B 34 7.690 15.752 12.296 1.00 4.98 N ATOM 1238 CA SER B 34 6.528 15.272 13.010 1.00 3.23 C ATOM 1239 C SER B 34 5.585 14.389 12.192 1.00 6.02 C ATOM 1240 O SER B 34 4.583 13.918 12.715 1.00 6.95 O ATOM 1241 CB SER B 34 5.761 16.468 13.519 1.00 2.00 C ATOM 1242 OG SER B 34 5.413 17.285 12.423 1.00 4.05 O ATOM 0 H SER B 34 7.530 16.134 11.543 1.00 4.98 H new ATOM 0 HA SER B 34 6.860 14.707 13.725 1.00 3.23 H new ATOM 0 HB2 SER B 34 4.963 16.180 13.990 1.00 2.00 H new ATOM 0 HB3 SER B 34 6.299 16.967 14.153 1.00 2.00 H new ATOM 0 HG SER B 34 5.882 17.982 12.432 1.00 4.05 H new ATOM 1243 N GLY B 35 5.907 14.149 10.924 1.00 7.51 N ATOM 1244 CA GLY B 35 5.025 13.361 10.082 1.00 7.23 C ATOM 1245 C GLY B 35 3.720 14.107 9.818 1.00 9.42 C ATOM 1246 O GLY B 35 2.717 13.479 9.518 1.00 12.68 O ATOM 0 H GLY B 35 6.623 14.431 10.539 1.00 7.51 H new ATOM 0 HA2 GLY B 35 5.465 13.163 9.241 1.00 7.23 H new ATOM 0 HA3 GLY B 35 4.836 12.511 10.510 1.00 7.23 H new ATOM 1247 N TYR B 36 3.747 15.447 9.886 1.00 9.10 N ATOM 1248 CA TYR B 36 2.556 16.292 9.688 1.00 3.97 C ATOM 1249 C TYR B 36 1.530 16.234 10.836 1.00 3.18 C ATOM 1250 O TYR B 36 0.357 16.531 10.624 1.00 6.48 O ATOM 1251 CB TYR B 36 1.800 15.942 8.401 1.00 4.70 C ATOM 1252 CG TYR B 36 2.601 15.941 7.141 1.00 3.76 C ATOM 1253 CD1 TYR B 36 3.622 16.860 6.922 1.00 5.19 C ATOM 1254 CD2 TYR B 36 2.331 15.011 6.151 1.00 3.16 C ATOM 1255 CE1 TYR B 36 4.363 16.848 5.732 1.00 5.12 C ATOM 1256 CE2 TYR B 36 3.058 14.994 4.965 1.00 6.81 C ATOM 1257 CZ TYR B 36 4.075 15.909 4.765 1.00 5.29 C ATOM 1258 OH TYR B 36 4.817 15.822 3.603 1.00 11.78 O ATOM 0 H TYR B 36 4.463 15.894 10.050 1.00 9.10 H new ATOM 0 HA TYR B 36 2.930 17.186 9.645 1.00 3.97 H new ATOM 0 HB2 TYR B 36 1.404 15.063 8.510 1.00 4.70 H new ATOM 0 HB3 TYR B 36 1.069 16.572 8.297 1.00 4.70 H new ATOM 0 HD1 TYR B 36 3.816 17.493 7.576 1.00 5.19 H new ATOM 0 HD2 TYR B 36 1.653 14.388 6.281 1.00 3.16 H new ATOM 0 HE1 TYR B 36 5.043 17.468 5.596 1.00 5.12 H new ATOM 0 HE2 TYR B 36 2.860 14.367 4.307 1.00 6.81 H new ATOM 0 HH TYR B 36 5.532 16.253 3.694 1.00 11.78 H new ATOM 1259 N ASP B 37 1.934 15.864 12.042 1.00 2.21 N ATOM 1260 CA ASP B 37 0.973 15.793 13.148 1.00 5.51 C ATOM 1261 C ASP B 37 1.134 17.001 14.059 1.00 3.97 C ATOM 1262 O ASP B 37 2.172 17.147 14.674 1.00 8.44 O ATOM 1263 CB ASP B 37 1.231 14.521 13.938 1.00 8.25 C ATOM 1264 CG ASP B 37 0.270 14.323 15.087 1.00 13.75 C ATOM 1265 OD1 ASP B 37 -0.675 15.130 15.280 1.00 14.91 O ATOM 1266 OD2 ASP B 37 0.470 13.327 15.813 1.00 17.82 O ATOM 0 H ASP B 37 2.742 15.652 12.245 1.00 2.21 H new ATOM 0 HA ASP B 37 0.070 15.788 12.794 1.00 5.51 H new ATOM 0 HB2 ASP B 37 1.171 13.759 13.340 1.00 8.25 H new ATOM 0 HB3 ASP B 37 2.137 14.541 14.283 1.00 8.25 H new ATOM 1267 N THR B 38 0.095 17.823 14.195 1.00 6.18 N ATOM 1268 CA THR B 38 0.169 19.037 15.021 1.00 9.97 C ATOM 1269 C THR B 38 0.183 18.770 16.507 1.00 10.71 C ATOM 1270 O THR B 38 0.509 19.651 17.300 1.00 12.09 O ATOM 1271 CB THR B 38 -0.970 20.112 14.698 1.00 13.51 C ATOM 1272 OG1 THR B 38 -2.281 19.597 15.017 1.00 16.35 O ATOM 1273 CG2 THR B 38 -0.922 20.562 13.239 1.00 10.23 C ATOM 0 H THR B 38 -0.667 17.698 13.817 1.00 6.18 H new ATOM 0 HA THR B 38 1.027 19.413 14.770 1.00 9.97 H new ATOM 0 HB THR B 38 -0.797 20.885 15.258 1.00 13.51 H new ATOM 0 HG1 THR B 38 -2.861 20.178 14.841 1.00 16.35 H new ATOM 0 HG21 THR B 38 -1.624 21.212 13.077 1.00 10.23 H new ATOM 0 HG22 THR B 38 -0.060 20.965 13.053 1.00 10.23 H new ATOM 0 HG23 THR B 38 -1.052 19.795 12.659 1.00 10.23 H new ATOM 1274 N GLN B 39 -0.129 17.539 16.887 1.00 15.56 N ATOM 1275 CA GLN B 39 -0.159 17.176 18.307 1.00 13.96 C ATOM 1276 C GLN B 39 0.948 16.269 18.780 1.00 10.47 C ATOM 1277 O GLN B 39 0.920 15.812 19.909 1.00 13.92 O ATOM 1278 CB GLN B 39 -1.514 16.596 18.671 1.00 19.99 C ATOM 1279 CG GLN B 39 -2.596 17.638 18.693 1.00 26.37 C ATOM 1280 CD GLN B 39 -3.960 17.038 18.649 1.00 32.03 C ATOM 1281 OE1 GLN B 39 -4.182 15.963 19.183 1.00 36.80 O ATOM 1282 NE2 GLN B 39 -4.897 17.730 18.001 1.00 36.83 N ATOM 0 H GLN B 39 -0.326 16.899 16.347 1.00 15.56 H new ATOM 0 HA GLN B 39 -0.003 18.010 18.777 1.00 13.96 H new ATOM 0 HB2 GLN B 39 -1.748 15.903 18.033 1.00 19.99 H new ATOM 0 HB3 GLN B 39 -1.458 16.173 19.542 1.00 19.99 H new ATOM 0 HG2 GLN B 39 -2.507 18.176 19.495 1.00 26.37 H new ATOM 0 HG3 GLN B 39 -2.483 18.235 17.937 1.00 26.37 H new ATOM 0 HE21 GLN B 39 -4.700 18.484 17.638 1.00 36.83 H new ATOM 0 HE22 GLN B 39 -5.698 17.422 17.946 1.00 36.83 H new ATOM 1283 N ALA B 40 1.956 16.053 17.943 1.00 9.09 N ATOM 1284 CA ALA B 40 3.085 15.204 18.314 1.00 7.80 C ATOM 1285 C ALA B 40 3.802 15.838 19.478 1.00 10.34 C ATOM 1286 O ALA B 40 3.890 17.059 19.556 1.00 15.61 O ATOM 1287 CB ALA B 40 4.053 15.042 17.137 1.00 4.53 C ATOM 0 H ALA B 40 2.007 16.389 17.153 1.00 9.09 H new ATOM 0 HA ALA B 40 2.757 14.325 18.559 1.00 7.80 H new ATOM 0 HB1 ALA B 40 4.794 14.476 17.403 1.00 4.53 H new ATOM 0 HB2 ALA B 40 3.588 14.635 16.389 1.00 4.53 H new ATOM 0 HB3 ALA B 40 4.390 15.912 16.873 1.00 4.53 H new ATOM 1288 N ILE B 41 4.203 14.998 20.424 1.00 15.79 N ATOM 1289 CA ILE B 41 4.956 15.362 21.635 1.00 16.02 C ATOM 1290 C ILE B 41 5.947 14.214 21.748 1.00 15.70 C ATOM 1291 O ILE B 41 5.539 13.059 21.748 1.00 20.35 O ATOM 1292 CB ILE B 41 4.092 15.316 22.931 1.00 17.78 C ATOM 1293 CG1 ILE B 41 2.970 16.335 22.858 1.00 22.04 C ATOM 1294 CG2 ILE B 41 4.935 15.637 24.168 1.00 14.00 C ATOM 1295 CD1 ILE B 41 2.174 16.379 24.124 1.00 29.65 C ATOM 0 H ILE B 41 4.038 14.155 20.381 1.00 15.79 H new ATOM 0 HA ILE B 41 5.317 16.260 21.563 1.00 16.02 H new ATOM 0 HB ILE B 41 3.732 14.418 23.002 1.00 17.78 H new ATOM 0 HG12 ILE B 41 3.342 17.213 22.679 1.00 22.04 H new ATOM 0 HG13 ILE B 41 2.385 16.118 22.116 1.00 22.04 H new ATOM 0 HG21 ILE B 41 4.375 15.602 24.959 1.00 14.00 H new ATOM 0 HG22 ILE B 41 5.651 14.987 24.250 1.00 14.00 H new ATOM 0 HG23 ILE B 41 5.314 16.526 24.080 1.00 14.00 H new ATOM 0 HD11 ILE B 41 1.468 17.039 24.040 1.00 29.65 H new ATOM 0 HD12 ILE B 41 1.782 15.507 24.291 1.00 29.65 H new ATOM 0 HD13 ILE B 41 2.754 16.619 24.863 1.00 29.65 H new ATOM 1296 N VAL B 42 7.235 14.514 21.791 1.00 15.59 N ATOM 1297 CA VAL B 42 8.234 13.468 21.917 1.00 12.93 C ATOM 1298 C VAL B 42 9.131 13.769 23.115 1.00 11.37 C ATOM 1299 O VAL B 42 9.632 14.876 23.255 1.00 12.83 O ATOM 1300 CB VAL B 42 9.071 13.332 20.619 1.00 10.64 C ATOM 1301 CG1 VAL B 42 10.293 12.453 20.858 1.00 8.74 C ATOM 1302 CG2 VAL B 42 8.220 12.759 19.516 1.00 5.58 C ATOM 0 H VAL B 42 7.551 15.313 21.749 1.00 15.59 H new ATOM 0 HA VAL B 42 7.785 12.620 22.059 1.00 12.93 H new ATOM 0 HB VAL B 42 9.378 14.213 20.354 1.00 10.64 H new ATOM 0 HG11 VAL B 42 10.804 12.379 20.037 1.00 8.74 H new ATOM 0 HG12 VAL B 42 10.847 12.849 21.549 1.00 8.74 H new ATOM 0 HG13 VAL B 42 10.007 11.570 21.141 1.00 8.74 H new ATOM 0 HG21 VAL B 42 8.750 12.677 18.708 1.00 5.58 H new ATOM 0 HG22 VAL B 42 7.895 11.884 19.779 1.00 5.58 H new ATOM 0 HG23 VAL B 42 7.467 13.347 19.350 1.00 5.58 H new ATOM 1303 N GLN B 43 9.328 12.785 23.983 1.00 13.30 N ATOM 1304 CA GLN B 43 10.169 12.961 25.156 1.00 19.02 C ATOM 1305 C GLN B 43 11.544 12.309 25.161 1.00 21.97 C ATOM 1306 O GLN B 43 11.747 11.177 24.715 1.00 20.24 O ATOM 1307 CB GLN B 43 9.446 12.519 26.405 1.00 19.83 C ATOM 1308 CG GLN B 43 8.147 13.187 26.608 1.00 26.12 C ATOM 1309 CD GLN B 43 7.355 12.459 27.636 1.00 33.91 C ATOM 1310 OE1 GLN B 43 7.636 12.563 28.831 1.00 40.75 O ATOM 1311 NE2 GLN B 43 6.397 11.655 27.190 1.00 34.48 N ATOM 0 H GLN B 43 8.980 12.002 23.909 1.00 13.30 H new ATOM 0 HA GLN B 43 10.343 13.915 25.129 1.00 19.02 H new ATOM 0 HB2 GLN B 43 9.304 11.560 26.365 1.00 19.83 H new ATOM 0 HB3 GLN B 43 10.012 12.690 27.174 1.00 19.83 H new ATOM 0 HG2 GLN B 43 8.287 14.105 26.887 1.00 26.12 H new ATOM 0 HG3 GLN B 43 7.656 13.217 25.772 1.00 26.12 H new ATOM 0 HE21 GLN B 43 6.231 11.610 26.347 1.00 34.48 H new ATOM 0 HE22 GLN B 43 5.943 11.179 27.744 1.00 34.48 H new ATOM 1312 N ASN B 44 12.464 13.046 25.760 1.00 27.09 N ATOM 1313 CA ASN B 44 13.846 12.666 25.935 1.00 32.69 C ATOM 1314 C ASN B 44 14.018 12.695 27.438 1.00 36.54 C ATOM 1315 O ASN B 44 13.101 13.080 28.173 1.00 37.57 O ATOM 1316 CB ASN B 44 14.754 13.744 25.352 1.00 35.67 C ATOM 1317 CG ASN B 44 15.013 13.560 23.881 1.00 40.35 C ATOM 1318 OD1 ASN B 44 16.165 13.541 23.462 1.00 47.63 O ATOM 1319 ND2 ASN B 44 13.954 13.438 23.083 1.00 39.21 N ATOM 0 H ASN B 44 12.287 13.820 26.091 1.00 27.09 H new ATOM 0 HA ASN B 44 14.059 11.818 25.515 1.00 32.69 H new ATOM 0 HB2 ASN B 44 14.350 14.614 25.498 1.00 35.67 H new ATOM 0 HB3 ASN B 44 15.599 13.740 25.827 1.00 35.67 H new ATOM 0 HD21 ASN B 44 14.063 13.341 22.235 1.00 39.21 H new ATOM 0 HD22 ASN B 44 13.161 13.456 23.415 1.00 39.21 H new ATOM 1320 N ASN B 45 15.197 12.321 27.908 1.00 39.75 N ATOM 1321 CA ASN B 45 15.436 12.370 29.342 1.00 43.18 C ATOM 1322 C ASN B 45 15.568 13.846 29.735 1.00 44.52 C ATOM 1323 O ASN B 45 15.120 14.250 30.808 1.00 47.64 O ATOM 1324 CB ASN B 45 16.705 11.592 29.721 1.00 43.72 C ATOM 1325 CG ASN B 45 16.487 10.084 29.763 1.00 43.49 C ATOM 1326 OD1 ASN B 45 15.370 9.604 29.965 1.00 44.57 O ATOM 1327 ND2 ASN B 45 17.560 9.331 29.558 1.00 43.96 N ATOM 0 H ASN B 45 15.856 12.043 27.431 1.00 39.75 H new ATOM 0 HA ASN B 45 14.700 11.954 29.817 1.00 43.18 H new ATOM 0 HB2 ASN B 45 17.406 11.795 29.082 1.00 43.72 H new ATOM 0 HB3 ASN B 45 17.016 11.893 30.589 1.00 43.72 H new ATOM 0 HD21 ASN B 45 17.491 8.474 29.563 1.00 43.96 H new ATOM 0 HD22 ASN B 45 18.324 9.700 29.420 1.00 43.96 H new ATOM 1328 N ASP B 46 16.118 14.645 28.818 1.00 42.48 N ATOM 1329 CA ASP B 46 16.348 16.078 29.019 1.00 40.01 C ATOM 1330 C ASP B 46 15.186 17.053 28.787 1.00 37.93 C ATOM 1331 O ASP B 46 15.107 18.097 29.438 1.00 37.41 O ATOM 1332 CB ASP B 46 17.494 16.530 28.119 1.00 45.25 C ATOM 1333 CG ASP B 46 18.849 16.139 28.653 1.00 51.68 C ATOM 1334 OD1 ASP B 46 19.087 14.927 28.885 1.00 58.35 O ATOM 1335 OD2 ASP B 46 19.685 17.052 28.824 1.00 52.04 O ATOM 0 H ASP B 46 16.373 14.363 28.046 1.00 42.48 H new ATOM 0 HA ASP B 46 16.525 16.128 29.971 1.00 40.01 H new ATOM 0 HB2 ASP B 46 17.376 16.146 27.236 1.00 45.25 H new ATOM 0 HB3 ASP B 46 17.458 17.494 28.016 1.00 45.25 H new ATOM 1336 N SER B 47 14.324 16.755 27.820 1.00 34.03 N ATOM 1337 CA SER B 47 13.250 17.669 27.491 1.00 26.98 C ATOM 1338 C SER B 47 12.168 17.011 26.662 1.00 23.29 C ATOM 1339 O SER B 47 12.281 15.840 26.311 1.00 20.57 O ATOM 1340 CB SER B 47 13.840 18.819 26.692 1.00 28.85 C ATOM 1341 OG SER B 47 14.708 18.289 25.694 1.00 31.52 O ATOM 0 H SER B 47 14.347 16.035 27.350 1.00 34.03 H new ATOM 0 HA SER B 47 12.844 17.971 28.319 1.00 26.98 H new ATOM 0 HB2 SER B 47 13.132 19.339 26.280 1.00 28.85 H new ATOM 0 HB3 SER B 47 14.328 19.419 27.277 1.00 28.85 H new ATOM 0 HG SER B 47 15.038 18.919 25.246 1.00 31.52 H new ATOM 1342 N THR B 48 11.111 17.782 26.399 1.00 17.39 N ATOM 1343 CA THR B 48 9.976 17.374 25.600 1.00 11.73 C ATOM 1344 C THR B 48 9.949 18.311 24.397 1.00 12.78 C ATOM 1345 O THR B 48 10.365 19.477 24.508 1.00 12.18 O ATOM 1346 CB THR B 48 8.658 17.531 26.369 1.00 8.16 C ATOM 1347 OG1 THR B 48 8.817 16.975 27.672 1.00 11.36 O ATOM 1348 CG2 THR B 48 7.544 16.776 25.670 1.00 2.72 C ATOM 0 H THR B 48 11.041 18.586 26.696 1.00 17.39 H new ATOM 0 HA THR B 48 10.062 16.440 25.352 1.00 11.73 H new ATOM 0 HB THR B 48 8.433 18.473 26.415 1.00 8.16 H new ATOM 0 HG1 THR B 48 9.231 17.519 28.160 1.00 11.36 H new ATOM 0 HG21 THR B 48 6.718 16.884 26.167 1.00 2.72 H new ATOM 0 HG22 THR B 48 7.429 17.126 24.773 1.00 2.72 H new ATOM 0 HG23 THR B 48 7.771 15.834 25.623 1.00 2.72 H new ATOM 1349 N GLU B 49 9.474 17.795 23.260 1.00 10.43 N ATOM 1350 CA GLU B 49 9.389 18.536 22.011 1.00 4.14 C ATOM 1351 C GLU B 49 7.942 18.529 21.588 1.00 5.58 C ATOM 1352 O GLU B 49 7.303 17.473 21.616 1.00 9.67 O ATOM 1353 CB GLU B 49 10.243 17.842 20.987 1.00 7.12 C ATOM 1354 CG GLU B 49 11.670 17.792 21.382 1.00 15.65 C ATOM 1355 CD GLU B 49 12.537 17.427 20.227 1.00 29.15 C ATOM 1356 OE1 GLU B 49 12.613 16.217 19.907 1.00 36.80 O ATOM 1357 OE2 GLU B 49 13.119 18.350 19.612 1.00 36.91 O ATOM 0 H GLU B 49 9.187 16.987 23.198 1.00 10.43 H new ATOM 0 HA GLU B 49 9.701 19.449 22.108 1.00 4.14 H new ATOM 0 HB2 GLU B 49 9.915 16.939 20.854 1.00 7.12 H new ATOM 0 HB3 GLU B 49 10.161 18.301 20.137 1.00 7.12 H new ATOM 0 HG2 GLU B 49 11.941 18.655 21.733 1.00 15.65 H new ATOM 0 HG3 GLU B 49 11.788 17.145 22.095 1.00 15.65 H new ATOM 1358 N TYR B 50 7.419 19.688 21.194 1.00 4.15 N ATOM 1359 CA TYR B 50 5.999 19.813 20.841 1.00 4.20 C ATOM 1360 C TYR B 50 5.629 20.189 19.419 1.00 4.83 C ATOM 1361 O TYR B 50 6.292 21.027 18.800 1.00 5.89 O ATOM 1362 CB TYR B 50 5.330 20.869 21.730 1.00 5.83 C ATOM 1363 CG TYR B 50 5.436 20.606 23.204 1.00 6.33 C ATOM 1364 CD1 TYR B 50 6.643 20.742 23.868 1.00 2.00 C ATOM 1365 CD2 TYR B 50 4.322 20.239 23.936 1.00 10.37 C ATOM 1366 CE1 TYR B 50 6.738 20.512 25.206 1.00 2.00 C ATOM 1367 CE2 TYR B 50 4.408 20.020 25.287 1.00 7.48 C ATOM 1368 CZ TYR B 50 5.616 20.156 25.913 1.00 6.83 C ATOM 1369 OH TYR B 50 5.693 19.937 27.276 1.00 9.18 O ATOM 0 H TYR B 50 7.868 20.418 21.123 1.00 4.15 H new ATOM 0 HA TYR B 50 5.692 18.902 20.967 1.00 4.20 H new ATOM 0 HB2 TYR B 50 5.726 21.733 21.539 1.00 5.83 H new ATOM 0 HB3 TYR B 50 4.392 20.928 21.491 1.00 5.83 H new ATOM 0 HD1 TYR B 50 7.401 20.995 23.392 1.00 2.00 H new ATOM 0 HD2 TYR B 50 3.503 20.139 23.506 1.00 10.37 H new ATOM 0 HE1 TYR B 50 7.557 20.595 25.638 1.00 2.00 H new ATOM 0 HE2 TYR B 50 3.652 19.781 25.773 1.00 7.48 H new ATOM 0 HH TYR B 50 6.266 20.452 27.611 1.00 9.18 H new ATOM 1370 N GLY B 51 4.492 19.640 18.984 1.00 2.32 N ATOM 1371 CA GLY B 51 3.911 19.907 17.688 1.00 2.00 C ATOM 1372 C GLY B 51 4.677 19.638 16.414 1.00 6.13 C ATOM 1373 O GLY B 51 5.700 18.963 16.414 1.00 10.18 O ATOM 0 H GLY B 51 4.032 19.087 19.456 1.00 2.32 H new ATOM 0 HA2 GLY B 51 3.088 19.396 17.636 1.00 2.00 H new ATOM 0 HA3 GLY B 51 3.664 20.845 17.677 1.00 2.00 H new ATOM 1374 N LEU B 52 4.158 20.226 15.333 1.00 9.15 N ATOM 1375 CA LEU B 52 4.667 20.129 13.970 1.00 8.53 C ATOM 1376 C LEU B 52 6.157 20.381 13.845 1.00 8.22 C ATOM 1377 O LEU B 52 6.847 19.670 13.111 1.00 6.94 O ATOM 1378 CB LEU B 52 3.896 21.118 13.064 1.00 8.79 C ATOM 1379 CG LEU B 52 3.865 20.907 11.529 1.00 11.93 C ATOM 1380 CD1 LEU B 52 2.919 19.754 11.177 1.00 10.84 C ATOM 1381 CD2 LEU B 52 3.399 22.157 10.787 1.00 9.92 C ATOM 0 H LEU B 52 3.457 20.721 15.383 1.00 9.15 H new ATOM 0 HA LEU B 52 4.525 19.211 13.689 1.00 8.53 H new ATOM 0 HB2 LEU B 52 2.976 21.132 13.371 1.00 8.79 H new ATOM 0 HB3 LEU B 52 4.262 22.002 13.226 1.00 8.79 H new ATOM 0 HG LEU B 52 4.772 20.703 11.253 1.00 11.93 H new ATOM 0 HD11 LEU B 52 2.905 19.629 10.215 1.00 10.84 H new ATOM 0 HD12 LEU B 52 3.228 18.940 11.604 1.00 10.84 H new ATOM 0 HD13 LEU B 52 2.024 19.963 11.488 1.00 10.84 H new ATOM 0 HD21 LEU B 52 3.394 21.984 9.833 1.00 9.92 H new ATOM 0 HD22 LEU B 52 2.504 22.391 11.078 1.00 9.92 H new ATOM 0 HD23 LEU B 52 4.003 22.891 10.979 1.00 9.92 H new ATOM 1382 N PHE B 53 6.644 21.415 14.536 1.00 9.84 N ATOM 1383 CA PHE B 53 8.067 21.790 14.482 1.00 6.21 C ATOM 1384 C PHE B 53 8.880 21.237 15.625 1.00 6.71 C ATOM 1385 O PHE B 53 10.032 21.613 15.793 1.00 6.30 O ATOM 1386 CB PHE B 53 8.226 23.316 14.447 1.00 3.78 C ATOM 1387 CG PHE B 53 7.687 23.947 13.179 1.00 6.99 C ATOM 1388 CD1 PHE B 53 8.256 23.643 11.933 1.00 10.03 C ATOM 1389 CD2 PHE B 53 6.573 24.765 13.213 1.00 2.00 C ATOM 1390 CE1 PHE B 53 7.706 24.142 10.751 1.00 5.35 C ATOM 1391 CE2 PHE B 53 6.023 25.266 12.041 1.00 4.73 C ATOM 1392 CZ PHE B 53 6.582 24.957 10.815 1.00 4.01 C ATOM 0 H PHE B 53 6.166 21.916 15.046 1.00 9.84 H new ATOM 0 HA PHE B 53 8.409 21.395 13.665 1.00 6.21 H new ATOM 0 HB2 PHE B 53 7.769 23.700 15.211 1.00 3.78 H new ATOM 0 HB3 PHE B 53 9.166 23.539 14.537 1.00 3.78 H new ATOM 0 HD1 PHE B 53 9.011 23.101 11.894 1.00 10.03 H new ATOM 0 HD2 PHE B 53 6.187 24.982 14.031 1.00 2.00 H new ATOM 0 HE1 PHE B 53 8.088 23.931 9.929 1.00 5.35 H new ATOM 0 HE2 PHE B 53 5.273 25.814 12.081 1.00 4.73 H new ATOM 0 HZ PHE B 53 6.206 25.294 10.034 1.00 4.01 H new ATOM 1393 N GLN B 54 8.284 20.339 16.404 1.00 8.82 N ATOM 1394 CA GLN B 54 8.952 19.735 17.556 1.00 7.72 C ATOM 1395 C GLN B 54 9.820 20.745 18.289 1.00 7.47 C ATOM 1396 O GLN B 54 11.055 20.605 18.387 1.00 6.39 O ATOM 1397 CB GLN B 54 9.741 18.479 17.146 1.00 7.19 C ATOM 1398 CG GLN B 54 8.846 17.289 16.743 1.00 9.36 C ATOM 1399 CD GLN B 54 8.096 16.658 17.915 1.00 7.60 C ATOM 1400 OE1 GLN B 54 8.692 15.986 18.739 1.00 12.21 O ATOM 1401 NE2 GLN B 54 6.784 16.885 17.993 1.00 8.67 N ATOM 0 H GLN B 54 7.479 20.062 16.280 1.00 8.82 H new ATOM 0 HA GLN B 54 8.267 19.450 18.181 1.00 7.72 H new ATOM 0 HB2 GLN B 54 10.324 18.701 16.403 1.00 7.19 H new ATOM 0 HB3 GLN B 54 10.311 18.210 17.883 1.00 7.19 H new ATOM 0 HG2 GLN B 54 8.203 17.588 16.082 1.00 9.36 H new ATOM 0 HG3 GLN B 54 9.395 16.611 16.318 1.00 9.36 H new ATOM 0 HE21 GLN B 54 6.394 17.364 17.394 1.00 8.67 H new ATOM 0 HE22 GLN B 54 6.328 16.552 18.642 1.00 8.67 H new ATOM 1402 N ILE B 55 9.144 21.742 18.857 1.00 8.81 N ATOM 1403 CA ILE B 55 9.806 22.820 19.583 1.00 8.09 C ATOM 1404 C ILE B 55 10.057 22.411 21.036 1.00 7.82 C ATOM 1405 O ILE B 55 9.128 22.044 21.746 1.00 9.18 O ATOM 1406 CB ILE B 55 8.970 24.105 19.459 1.00 9.82 C ATOM 1407 CG1 ILE B 55 8.791 24.440 17.953 1.00 7.37 C ATOM 1408 CG2 ILE B 55 9.667 25.243 20.209 1.00 11.07 C ATOM 1409 CD1 ILE B 55 7.755 25.550 17.596 1.00 2.00 C ATOM 0 H ILE B 55 8.287 21.811 18.831 1.00 8.81 H new ATOM 0 HA ILE B 55 10.677 22.999 19.195 1.00 8.09 H new ATOM 0 HB ILE B 55 8.093 23.982 19.855 1.00 9.82 H new ATOM 0 HG12 ILE B 55 9.654 24.707 17.598 1.00 7.37 H new ATOM 0 HG13 ILE B 55 8.534 23.627 17.491 1.00 7.37 H new ATOM 0 HG21 ILE B 55 9.140 26.053 20.131 1.00 11.07 H new ATOM 0 HG22 ILE B 55 9.758 25.006 21.145 1.00 11.07 H new ATOM 0 HG23 ILE B 55 10.546 25.392 19.827 1.00 11.07 H new ATOM 0 HD11 ILE B 55 7.730 25.672 16.634 1.00 2.00 H new ATOM 0 HD12 ILE B 55 6.876 25.286 17.911 1.00 2.00 H new ATOM 0 HD13 ILE B 55 8.014 26.383 18.020 1.00 2.00 H new ATOM 1410 N ASN B 56 11.310 22.470 21.473 1.00 7.50 N ATOM 1411 CA ASN B 56 11.660 22.025 22.821 1.00 12.25 C ATOM 1412 C ASN B 56 11.438 22.964 24.027 1.00 13.73 C ATOM 1413 O ASN B 56 11.659 24.176 23.944 1.00 12.92 O ATOM 1414 CB ASN B 56 13.080 21.430 22.830 1.00 9.09 C ATOM 1415 CG ASN B 56 14.170 22.482 22.944 1.00 12.29 C ATOM 1416 OD1 ASN B 56 14.096 23.370 23.781 1.00 15.19 O ATOM 1417 ND2 ASN B 56 15.221 22.341 22.155 1.00 4.18 N ATOM 0 H ASN B 56 11.972 22.763 21.008 1.00 7.50 H new ATOM 0 HA ASN B 56 10.977 21.358 22.993 1.00 12.25 H new ATOM 0 HB2 ASN B 56 13.159 20.809 23.571 1.00 9.09 H new ATOM 0 HB3 ASN B 56 13.215 20.919 22.016 1.00 9.09 H new ATOM 0 HD21 ASN B 56 15.884 22.885 22.221 1.00 4.18 H new ATOM 0 HD22 ASN B 56 15.242 21.705 21.576 1.00 4.18 H new ATOM 1418 N ASN B 57 11.100 22.359 25.172 1.00 15.55 N ATOM 1419 CA ASN B 57 10.823 23.067 26.435 1.00 13.88 C ATOM 1420 C ASN B 57 12.071 23.321 27.278 1.00 13.16 C ATOM 1421 O ASN B 57 12.001 23.504 28.494 1.00 16.68 O ATOM 1422 CB ASN B 57 9.812 22.281 27.274 1.00 8.44 C ATOM 1423 CG ASN B 57 10.440 21.097 27.959 1.00 10.48 C ATOM 1424 OD1 ASN B 57 11.548 20.671 27.619 1.00 12.99 O ATOM 1425 ND2 ASN B 57 9.756 20.576 28.949 1.00 5.79 N ATOM 0 H ASN B 57 11.023 21.505 25.239 1.00 15.55 H new ATOM 0 HA ASN B 57 10.463 23.931 26.181 1.00 13.88 H new ATOM 0 HB2 ASN B 57 9.421 22.868 27.940 1.00 8.44 H new ATOM 0 HB3 ASN B 57 9.088 21.977 26.704 1.00 8.44 H new ATOM 0 HD21 ASN B 57 10.077 19.911 29.390 1.00 5.79 H new ATOM 0 HD22 ASN B 57 8.987 20.899 29.157 1.00 5.79 H new ATOM 1426 N LYS B 58 13.210 23.344 26.625 1.00 12.77 N ATOM 1427 CA LYS B 58 14.450 23.574 27.301 1.00 14.66 C ATOM 1428 C LYS B 58 14.998 24.973 26.960 1.00 17.06 C ATOM 1429 O LYS B 58 15.639 25.646 27.782 1.00 19.84 O ATOM 1430 CB LYS B 58 15.436 22.511 26.824 1.00 20.37 C ATOM 1431 CG LYS B 58 16.667 22.470 27.627 1.00 29.64 C ATOM 1432 CD LYS B 58 17.719 21.601 27.032 1.00 41.79 C ATOM 1433 CE LYS B 58 18.919 21.628 27.980 1.00 51.35 C ATOM 1434 NZ LYS B 58 20.136 20.946 27.443 1.00 62.94 N ATOM 0 H LYS B 58 13.282 23.226 25.776 1.00 12.77 H new ATOM 0 HA LYS B 58 14.321 23.525 28.261 1.00 14.66 H new ATOM 0 HB2 LYS B 58 15.007 21.642 26.854 1.00 20.37 H new ATOM 0 HB3 LYS B 58 15.666 22.682 25.897 1.00 20.37 H new ATOM 0 HG2 LYS B 58 17.015 23.370 27.724 1.00 29.64 H new ATOM 0 HG3 LYS B 58 16.456 22.150 28.518 1.00 29.64 H new ATOM 0 HD2 LYS B 58 17.391 20.695 26.920 1.00 41.79 H new ATOM 0 HD3 LYS B 58 17.971 21.922 26.152 1.00 41.79 H new ATOM 0 HE2 LYS B 58 19.139 22.551 28.181 1.00 51.35 H new ATOM 0 HE3 LYS B 58 18.667 21.208 28.817 1.00 51.35 H new ATOM 0 HZ1 LYS B 58 20.794 20.998 28.041 1.00 62.94 H new ATOM 0 HZ2 LYS B 58 19.950 20.091 27.280 1.00 62.94 H new ATOM 0 HZ3 LYS B 58 20.390 21.343 26.688 1.00 62.94 H new ATOM 1435 N ILE B 59 14.689 25.432 25.755 1.00 16.28 N ATOM 1436 CA ILE B 59 15.213 26.695 25.247 1.00 13.40 C ATOM 1437 C ILE B 59 14.169 27.591 24.597 1.00 11.28 C ATOM 1438 O ILE B 59 14.278 28.812 24.685 1.00 15.90 O ATOM 1439 CB ILE B 59 16.371 26.381 24.201 1.00 16.81 C ATOM 1440 CG1 ILE B 59 17.678 26.050 24.915 1.00 18.97 C ATOM 1441 CG2 ILE B 59 16.619 27.506 23.233 1.00 22.18 C ATOM 1442 CD1 ILE B 59 18.079 27.084 25.948 1.00 23.15 C ATOM 0 H ILE B 59 14.169 25.021 25.207 1.00 16.28 H new ATOM 0 HA ILE B 59 15.544 27.189 26.013 1.00 13.40 H new ATOM 0 HB ILE B 59 16.061 25.614 23.694 1.00 16.81 H new ATOM 0 HG12 ILE B 59 17.592 25.186 25.348 1.00 18.97 H new ATOM 0 HG13 ILE B 59 18.386 25.968 24.257 1.00 18.97 H new ATOM 0 HG21 ILE B 59 17.332 27.258 22.624 1.00 22.18 H new ATOM 0 HG22 ILE B 59 15.810 27.683 22.728 1.00 22.18 H new ATOM 0 HG23 ILE B 59 16.876 28.303 23.722 1.00 22.18 H new ATOM 0 HD11 ILE B 59 18.914 26.818 26.365 1.00 23.15 H new ATOM 0 HD12 ILE B 59 18.193 27.945 25.517 1.00 23.15 H new ATOM 0 HD13 ILE B 59 17.387 27.151 26.624 1.00 23.15 H new ATOM 1443 N TRP B 60 13.104 27.004 24.058 1.00 9.52 N ATOM 1444 CA TRP B 60 12.120 27.777 23.299 1.00 6.79 C ATOM 1445 C TRP B 60 10.766 28.084 23.888 1.00 8.31 C ATOM 1446 O TRP B 60 10.181 29.144 23.612 1.00 6.45 O ATOM 1447 CB TRP B 60 11.951 27.145 21.910 1.00 6.69 C ATOM 1448 CG TRP B 60 13.283 26.945 21.178 1.00 6.75 C ATOM 1449 CD1 TRP B 60 14.057 25.830 21.185 1.00 7.21 C ATOM 1450 CD2 TRP B 60 14.026 27.937 20.453 1.00 9.42 C ATOM 1451 NE1 TRP B 60 15.241 26.067 20.540 1.00 8.64 N ATOM 1452 CE2 TRP B 60 15.248 27.356 20.085 1.00 8.15 C ATOM 1453 CE3 TRP B 60 13.774 29.271 20.099 1.00 7.19 C ATOM 1454 CZ2 TRP B 60 16.223 28.054 19.377 1.00 6.72 C ATOM 1455 CZ3 TRP B 60 14.738 29.954 19.401 1.00 5.04 C ATOM 1456 CH2 TRP B 60 15.951 29.347 19.050 1.00 2.99 C ATOM 0 H TRP B 60 12.932 26.164 24.119 1.00 9.52 H new ATOM 0 HA TRP B 60 12.522 28.660 23.294 1.00 6.79 H new ATOM 0 HB2 TRP B 60 11.506 26.288 22.002 1.00 6.69 H new ATOM 0 HB3 TRP B 60 11.373 27.708 21.372 1.00 6.69 H new ATOM 0 HD1 TRP B 60 13.817 25.020 21.573 1.00 7.21 H new ATOM 0 HE1 TRP B 60 15.877 25.497 20.438 1.00 8.64 H new ATOM 0 HE3 TRP B 60 12.973 29.682 20.332 1.00 7.19 H new ATOM 0 HZ2 TRP B 60 17.027 27.653 19.137 1.00 6.72 H new ATOM 0 HZ3 TRP B 60 14.583 30.838 19.156 1.00 5.04 H new ATOM 0 HH2 TRP B 60 16.586 29.840 18.582 1.00 2.99 H new ATOM 1457 N CYS B 61 10.207 27.143 24.627 1.00 10.64 N ATOM 1458 CA CYS B 61 8.910 27.383 25.222 1.00 9.32 C ATOM 1459 C CYS B 61 8.986 26.907 26.657 1.00 8.11 C ATOM 1460 O CYS B 61 9.989 26.332 27.054 1.00 8.72 O ATOM 1461 CB CYS B 61 7.781 26.719 24.410 1.00 9.37 C ATOM 1462 SG CYS B 61 7.856 24.909 24.246 1.00 13.93 S ATOM 0 H CYS B 61 10.554 26.374 24.794 1.00 10.64 H new ATOM 0 HA CYS B 61 8.688 28.327 25.212 1.00 9.32 H new ATOM 0 HB2 CYS B 61 6.934 26.952 24.821 1.00 9.37 H new ATOM 0 HB3 CYS B 61 7.780 27.105 23.520 1.00 9.37 H new ATOM 1463 N LYS B 62 7.970 27.216 27.449 1.00 9.14 N ATOM 1464 CA LYS B 62 7.967 26.830 28.849 1.00 14.61 C ATOM 1465 C LYS B 62 6.772 25.942 29.201 1.00 14.12 C ATOM 1466 O LYS B 62 5.679 26.094 28.632 1.00 10.86 O ATOM 1467 CB LYS B 62 7.952 28.102 29.694 1.00 19.95 C ATOM 1468 CG LYS B 62 8.285 27.918 31.149 1.00 30.57 C ATOM 1469 CD LYS B 62 8.089 29.250 31.881 1.00 39.78 C ATOM 1470 CE LYS B 62 8.037 29.054 33.396 1.00 46.88 C ATOM 1471 NZ LYS B 62 7.639 30.294 34.142 1.00 49.65 N ATOM 0 H LYS B 62 7.272 27.649 27.194 1.00 9.14 H new ATOM 0 HA LYS B 62 8.763 26.307 29.031 1.00 14.61 H new ATOM 0 HB2 LYS B 62 8.582 28.733 29.312 1.00 19.95 H new ATOM 0 HB3 LYS B 62 7.072 28.505 29.628 1.00 19.95 H new ATOM 0 HG2 LYS B 62 7.717 27.235 31.539 1.00 30.57 H new ATOM 0 HG3 LYS B 62 9.201 27.614 31.247 1.00 30.57 H new ATOM 0 HD2 LYS B 62 8.814 29.854 31.656 1.00 39.78 H new ATOM 0 HD3 LYS B 62 7.268 29.669 31.579 1.00 39.78 H new ATOM 0 HE2 LYS B 62 7.409 28.344 33.603 1.00 46.88 H new ATOM 0 HE3 LYS B 62 8.908 28.762 33.708 1.00 46.88 H new ATOM 0 HZ1 LYS B 62 7.625 30.124 35.015 1.00 49.65 H new ATOM 0 HZ2 LYS B 62 8.226 30.942 33.976 1.00 49.65 H new ATOM 0 HZ3 LYS B 62 6.830 30.553 33.878 1.00 49.65 H new ATOM 1472 N ASP B 63 7.005 24.958 30.072 1.00 16.91 N ATOM 1473 CA ASP B 63 5.929 24.070 30.535 1.00 18.53 C ATOM 1474 C ASP B 63 6.092 23.722 32.012 1.00 17.77 C ATOM 1475 O ASP B 63 7.047 24.167 32.663 1.00 15.11 O ATOM 1476 CB ASP B 63 5.846 22.781 29.677 1.00 20.25 C ATOM 1477 CG ASP B 63 7.108 21.907 29.761 1.00 16.78 C ATOM 1478 OD1 ASP B 63 8.121 22.272 30.388 1.00 22.67 O ATOM 1479 OD2 ASP B 63 7.087 20.823 29.175 1.00 19.39 O ATOM 0 H ASP B 63 7.778 24.786 30.408 1.00 16.91 H new ATOM 0 HA ASP B 63 5.095 24.554 30.429 1.00 18.53 H new ATOM 0 HB2 ASP B 63 5.080 22.259 29.963 1.00 20.25 H new ATOM 0 HB3 ASP B 63 5.692 23.026 28.751 1.00 20.25 H new ATOM 1480 N ASP B 64 5.177 22.892 32.518 1.00 24.21 N ATOM 1481 CA ASP B 64 5.199 22.418 33.910 1.00 26.42 C ATOM 1482 C ASP B 64 6.438 21.583 34.245 1.00 27.72 C ATOM 1483 O ASP B 64 6.893 21.550 35.396 1.00 26.19 O ATOM 1484 CB ASP B 64 3.976 21.547 34.173 1.00 29.54 C ATOM 1485 CG ASP B 64 2.702 22.346 34.302 1.00 31.86 C ATOM 1486 OD1 ASP B 64 2.768 23.563 34.610 1.00 32.50 O ATOM 1487 OD2 ASP B 64 1.626 21.739 34.119 1.00 37.43 O ATOM 0 H ASP B 64 4.518 22.584 32.059 1.00 24.21 H new ATOM 0 HA ASP B 64 5.207 23.213 34.466 1.00 26.42 H new ATOM 0 HB2 ASP B 64 3.879 20.907 33.451 1.00 29.54 H new ATOM 0 HB3 ASP B 64 4.116 21.037 34.986 1.00 29.54 H new ATOM 1488 N GLN B 65 6.940 20.871 33.238 1.00 31.44 N ATOM 1489 CA GLN B 65 8.098 20.003 33.396 1.00 35.18 C ATOM 1490 C GLN B 65 9.386 20.769 33.643 1.00 37.55 C ATOM 1491 O GLN B 65 10.178 20.395 34.495 1.00 37.51 O ATOM 1492 CB GLN B 65 8.256 19.077 32.189 1.00 34.58 C ATOM 1493 CG GLN B 65 9.278 17.977 32.426 1.00 40.58 C ATOM 1494 CD GLN B 65 10.212 17.767 31.250 1.00 43.02 C ATOM 1495 OE1 GLN B 65 9.658 17.321 30.129 1.00 43.36 O flip ATOM 1496 NE2 GLN B 65 11.419 18.013 31.346 1.00 43.11 N flip ATOM 0 H GLN B 65 6.615 20.880 32.442 1.00 31.44 H new ATOM 0 HA GLN B 65 7.930 19.469 34.188 1.00 35.18 H new ATOM 0 HB2 GLN B 65 7.398 18.677 31.978 1.00 34.58 H new ATOM 0 HB3 GLN B 65 8.522 19.600 31.417 1.00 34.58 H new ATOM 0 HG2 GLN B 65 9.802 18.194 33.213 1.00 40.58 H new ATOM 0 HG3 GLN B 65 8.813 17.147 32.615 1.00 40.58 H new ATOM 0 HE21 GLN B 65 11.741 18.301 32.090 1.00 43.11 H new ATOM 0 HE22 GLN B 65 11.937 17.896 30.669 1.00 43.11 H new ATOM 1497 N ASN B 66 9.622 21.821 32.872 1.00 42.29 N ATOM 1498 CA ASN B 66 10.821 22.615 33.067 1.00 44.99 C ATOM 1499 C ASN B 66 10.488 24.101 33.044 1.00 47.42 C ATOM 1500 O ASN B 66 10.049 24.643 32.023 1.00 48.24 O ATOM 1501 CB ASN B 66 11.888 22.287 32.028 1.00 46.47 C ATOM 1502 CG ASN B 66 13.199 22.981 32.320 1.00 47.17 C ATOM 1503 OD1 ASN B 66 13.434 23.431 33.447 1.00 52.66 O ATOM 1504 ND2 ASN B 66 14.052 23.096 31.311 1.00 44.87 N ATOM 0 H ASN B 66 9.106 22.089 32.238 1.00 42.29 H new ATOM 0 HA ASN B 66 11.183 22.391 33.939 1.00 44.99 H new ATOM 0 HB2 ASN B 66 12.030 21.328 32.004 1.00 46.47 H new ATOM 0 HB3 ASN B 66 11.573 22.550 31.149 1.00 46.47 H new ATOM 0 HD21 ASN B 66 14.804 23.497 31.427 1.00 44.87 H new ATOM 0 HD22 ASN B 66 13.853 22.770 30.541 1.00 44.87 H new ATOM 1505 N PRO B 67 10.619 24.756 34.207 1.00 49.69 N ATOM 1506 CA PRO B 67 10.360 26.178 34.428 1.00 49.90 C ATOM 1507 C PRO B 67 11.637 27.009 34.212 1.00 48.79 C ATOM 1508 O PRO B 67 11.584 28.229 34.044 1.00 51.31 O ATOM 1509 CB PRO B 67 9.910 26.195 35.884 1.00 50.65 C ATOM 1510 CG PRO B 67 10.835 25.211 36.512 1.00 50.00 C ATOM 1511 CD PRO B 67 10.867 24.070 35.494 1.00 52.39 C ATOM 0 HA PRO B 67 9.709 26.563 33.821 1.00 49.90 H new ATOM 0 HB2 PRO B 67 9.996 27.077 36.279 1.00 50.65 H new ATOM 0 HB3 PRO B 67 8.981 25.931 35.979 1.00 50.65 H new ATOM 0 HG2 PRO B 67 11.717 25.588 36.656 1.00 50.00 H new ATOM 0 HG3 PRO B 67 10.509 24.913 37.376 1.00 50.00 H new ATOM 0 HD2 PRO B 67 11.722 23.612 35.497 1.00 52.39 H new ATOM 0 HD3 PRO B 67 10.187 23.404 35.681 1.00 52.39 H new ATOM 1512 N HIS B 68 12.781 26.332 34.216 1.00 45.66 N ATOM 1513 CA HIS B 68 14.071 26.975 34.005 1.00 41.95 C ATOM 1514 C HIS B 68 14.351 27.162 32.524 1.00 36.95 C ATOM 1515 O HIS B 68 15.490 27.395 32.133 1.00 40.04 O ATOM 1516 CB HIS B 68 15.195 26.136 34.618 1.00 47.41 C ATOM 1517 CG HIS B 68 15.171 26.095 36.112 1.00 54.44 C ATOM 1518 ND1 HIS B 68 14.030 26.360 36.844 1.00 56.99 N ATOM 1519 CD2 HIS B 68 16.143 25.830 37.011 1.00 57.42 C ATOM 1520 CE1 HIS B 68 14.304 26.259 38.131 1.00 56.95 C ATOM 1521 NE2 HIS B 68 15.577 25.938 38.262 1.00 59.38 N ATOM 0 H HIS B 68 12.830 25.483 34.342 1.00 45.66 H new ATOM 0 HA HIS B 68 14.038 27.843 34.436 1.00 41.95 H new ATOM 0 HB2 HIS B 68 15.134 25.230 34.277 1.00 47.41 H new ATOM 0 HB3 HIS B 68 16.049 26.492 34.326 1.00 47.41 H new ATOM 0 HD2 HIS B 68 17.028 25.615 36.821 1.00 57.42 H new ATOM 0 HE1 HIS B 68 13.702 26.392 38.827 1.00 56.95 H new ATOM 0 HE2 HIS B 68 15.987 25.816 39.008 1.00 59.38 H new ATOM 1522 N SER B 69 13.329 26.991 31.694 1.00 30.68 N ATOM 1523 CA SER B 69 13.483 27.160 30.253 1.00 23.70 C ATOM 1524 C SER B 69 13.849 28.626 29.924 1.00 19.76 C ATOM 1525 O SER B 69 13.290 29.573 30.500 1.00 14.03 O ATOM 1526 CB SER B 69 12.180 26.772 29.550 1.00 18.87 C ATOM 1527 OG SER B 69 12.276 26.964 28.160 1.00 8.77 O ATOM 0 H SER B 69 12.535 26.776 31.945 1.00 30.68 H new ATOM 0 HA SER B 69 14.199 26.585 29.939 1.00 23.70 H new ATOM 0 HB2 SER B 69 11.973 25.843 29.737 1.00 18.87 H new ATOM 0 HB3 SER B 69 11.449 27.303 29.903 1.00 18.87 H new ATOM 0 HG SER B 69 11.505 27.032 27.832 1.00 8.77 H new ATOM 1528 N ARG B 70 14.788 28.795 28.996 1.00 16.95 N ATOM 1529 CA ARG B 70 15.213 30.116 28.570 1.00 15.14 C ATOM 1530 C ARG B 70 14.004 30.801 27.950 1.00 15.76 C ATOM 1531 O ARG B 70 13.949 32.032 27.862 1.00 14.98 O ATOM 1532 CB ARG B 70 16.367 30.024 27.575 1.00 13.46 C ATOM 1533 CG ARG B 70 16.870 31.377 27.104 1.00 18.89 C ATOM 1534 CD ARG B 70 18.205 31.274 26.381 1.00 23.01 C ATOM 1535 NE ARG B 70 19.299 30.956 27.300 1.00 31.84 N ATOM 1536 CZ ARG B 70 19.919 31.846 28.082 1.00 34.40 C ATOM 1537 NH1 ARG B 70 19.563 33.130 28.068 1.00 35.31 N ATOM 1538 NH2 ARG B 70 20.899 31.451 28.886 1.00 35.05 N ATOM 0 H ARG B 70 15.192 28.148 28.600 1.00 16.95 H new ATOM 0 HA ARG B 70 15.540 30.629 29.325 1.00 15.14 H new ATOM 0 HB2 ARG B 70 17.100 29.539 27.985 1.00 13.46 H new ATOM 0 HB3 ARG B 70 16.081 29.508 26.805 1.00 13.46 H new ATOM 0 HG2 ARG B 70 16.213 31.776 26.512 1.00 18.89 H new ATOM 0 HG3 ARG B 70 16.962 31.969 27.867 1.00 18.89 H new ATOM 0 HD2 ARG B 70 18.149 30.590 25.696 1.00 23.01 H new ATOM 0 HD3 ARG B 70 18.394 32.112 25.931 1.00 23.01 H new ATOM 0 HE ARG B 70 19.562 30.138 27.340 1.00 31.84 H new ATOM 0 HH11 ARG B 70 18.928 33.395 27.552 1.00 35.31 H new ATOM 0 HH12 ARG B 70 19.968 33.694 28.575 1.00 35.31 H new ATOM 0 HH21 ARG B 70 21.134 30.624 28.903 1.00 35.05 H new ATOM 0 HH22 ARG B 70 21.299 32.022 29.390 1.00 35.05 H new ATOM 1539 N ASN B 71 13.041 29.988 27.519 1.00 12.21 N ATOM 1540 CA ASN B 71 11.798 30.471 26.935 1.00 12.51 C ATOM 1541 C ASN B 71 11.966 31.576 25.864 1.00 12.70 C ATOM 1542 O ASN B 71 11.214 32.539 25.833 1.00 12.98 O ATOM 1543 CB ASN B 71 10.892 30.943 28.074 1.00 10.58 C ATOM 1544 CG ASN B 71 9.465 31.136 27.647 1.00 12.52 C ATOM 1545 OD1 ASN B 71 8.985 30.465 26.734 1.00 16.65 O ATOM 1546 ND2 ASN B 71 8.761 32.050 28.318 1.00 12.85 N ATOM 0 H ASN B 71 13.095 29.131 27.559 1.00 12.21 H new ATOM 0 HA ASN B 71 11.401 29.731 26.449 1.00 12.51 H new ATOM 0 HB2 ASN B 71 10.924 30.295 28.795 1.00 10.58 H new ATOM 0 HB3 ASN B 71 11.234 31.779 28.428 1.00 10.58 H new ATOM 0 HD21 ASN B 71 7.936 32.190 28.118 1.00 12.85 H new ATOM 0 HD22 ASN B 71 9.132 32.499 28.950 1.00 12.85 H new ATOM 1547 N ILE B 72 12.934 31.415 24.974 1.00 13.05 N ATOM 1548 CA ILE B 72 13.176 32.384 23.903 1.00 14.21 C ATOM 1549 C ILE B 72 11.920 32.803 23.153 1.00 16.25 C ATOM 1550 O ILE B 72 11.810 33.966 22.758 1.00 18.41 O ATOM 1551 CB ILE B 72 14.197 31.858 22.860 1.00 9.17 C ATOM 1552 CG1 ILE B 72 15.556 31.668 23.533 1.00 9.17 C ATOM 1553 CG2 ILE B 72 14.287 32.819 21.728 1.00 9.69 C ATOM 1554 CD1 ILE B 72 16.637 31.110 22.695 1.00 7.01 C ATOM 0 H ILE B 72 13.471 30.743 24.970 1.00 13.05 H new ATOM 0 HA ILE B 72 13.531 33.159 24.366 1.00 14.21 H new ATOM 0 HB ILE B 72 13.907 31.001 22.510 1.00 9.17 H new ATOM 0 HG12 ILE B 72 15.849 32.528 23.873 1.00 9.17 H new ATOM 0 HG13 ILE B 72 15.436 31.086 24.300 1.00 9.17 H new ATOM 0 HG21 ILE B 72 14.925 32.491 21.075 1.00 9.69 H new ATOM 0 HG22 ILE B 72 13.416 32.910 21.311 1.00 9.69 H new ATOM 0 HG23 ILE B 72 14.579 33.683 22.059 1.00 9.69 H new ATOM 0 HD11 ILE B 72 17.448 31.034 23.221 1.00 7.01 H new ATOM 0 HD12 ILE B 72 16.377 30.233 22.373 1.00 7.01 H new ATOM 0 HD13 ILE B 72 16.797 31.697 21.939 1.00 7.01 H new ATOM 1555 N CYS B 73 10.987 31.875 22.927 1.00 14.63 N ATOM 1556 CA CYS B 73 9.749 32.218 22.215 1.00 12.66 C ATOM 1557 C CYS B 73 8.663 32.788 23.123 1.00 10.59 C ATOM 1558 O CYS B 73 7.535 32.979 22.702 1.00 9.83 O ATOM 1559 CB CYS B 73 9.203 31.028 21.413 1.00 13.57 C ATOM 1560 SG CYS B 73 10.195 30.581 19.948 1.00 10.58 S ATOM 0 H CYS B 73 11.048 31.053 23.173 1.00 14.63 H new ATOM 0 HA CYS B 73 9.998 32.923 21.597 1.00 12.66 H new ATOM 0 HB2 CYS B 73 9.147 30.257 21.999 1.00 13.57 H new ATOM 0 HB3 CYS B 73 8.299 31.233 21.127 1.00 13.57 H new ATOM 1561 N ASN B 74 9.007 33.015 24.378 1.00 8.83 N ATOM 1562 CA ASN B 74 8.102 33.580 25.350 1.00 11.04 C ATOM 1563 C ASN B 74 6.705 33.026 25.241 1.00 14.95 C ATOM 1564 O ASN B 74 5.751 33.785 25.031 1.00 20.23 O ATOM 1565 CB ASN B 74 8.076 35.097 25.174 1.00 15.31 C ATOM 1566 CG ASN B 74 7.406 35.825 26.339 1.00 17.66 C ATOM 1567 OD1 ASN B 74 7.430 35.372 27.492 1.00 20.23 O ATOM 1568 ND2 ASN B 74 6.809 36.969 26.036 1.00 22.41 N ATOM 0 H ASN B 74 9.788 32.841 24.692 1.00 8.83 H new ATOM 0 HA ASN B 74 8.427 33.340 26.232 1.00 11.04 H new ATOM 0 HB2 ASN B 74 8.985 35.421 25.077 1.00 15.31 H new ATOM 0 HB3 ASN B 74 7.608 35.314 24.352 1.00 15.31 H new ATOM 0 HD21 ASN B 74 6.419 37.427 26.651 1.00 22.41 H new ATOM 0 HD22 ASN B 74 6.812 37.254 25.225 1.00 22.41 H new ATOM 1569 N ILE B 75 6.549 31.719 25.449 1.00 15.98 N ATOM 1570 CA ILE B 75 5.221 31.118 25.323 1.00 10.98 C ATOM 1571 C ILE B 75 5.112 29.726 25.972 1.00 12.55 C ATOM 1572 O ILE B 75 6.130 29.088 26.268 1.00 7.41 O ATOM 1573 CB ILE B 75 4.849 31.029 23.816 1.00 9.60 C ATOM 1574 CG1 ILE B 75 3.424 30.509 23.631 1.00 10.82 C ATOM 1575 CG2 ILE B 75 5.848 30.143 23.078 1.00 12.14 C ATOM 1576 CD1 ILE B 75 2.976 30.516 22.213 1.00 11.79 C ATOM 0 H ILE B 75 7.181 31.175 25.659 1.00 15.98 H new ATOM 0 HA ILE B 75 4.601 31.689 25.802 1.00 10.98 H new ATOM 0 HB ILE B 75 4.889 31.922 23.439 1.00 9.60 H new ATOM 0 HG12 ILE B 75 3.369 29.604 23.977 1.00 10.82 H new ATOM 0 HG13 ILE B 75 2.817 31.052 24.158 1.00 10.82 H new ATOM 0 HG21 ILE B 75 5.606 30.095 22.140 1.00 12.14 H new ATOM 0 HG22 ILE B 75 6.738 30.518 23.163 1.00 12.14 H new ATOM 0 HG23 ILE B 75 5.835 29.252 23.461 1.00 12.14 H new ATOM 0 HD11 ILE B 75 2.069 30.177 22.158 1.00 11.79 H new ATOM 0 HD12 ILE B 75 3.003 31.423 21.869 1.00 11.79 H new ATOM 0 HD13 ILE B 75 3.563 29.953 21.685 1.00 11.79 H new ATOM 1577 N SER B 76 3.879 29.274 26.201 1.00 12.18 N ATOM 1578 CA SER B 76 3.635 27.954 26.783 1.00 15.56 C ATOM 1579 C SER B 76 3.723 26.937 25.675 1.00 12.71 C ATOM 1580 O SER B 76 3.126 27.110 24.615 1.00 7.35 O ATOM 1581 CB SER B 76 2.235 27.859 27.369 1.00 17.72 C ATOM 1582 OG SER B 76 1.868 29.065 27.996 1.00 29.96 O ATOM 0 H SER B 76 3.165 29.720 26.025 1.00 12.18 H new ATOM 0 HA SER B 76 4.287 27.800 27.484 1.00 15.56 H new ATOM 0 HB2 SER B 76 1.600 27.650 26.666 1.00 17.72 H new ATOM 0 HB3 SER B 76 2.198 27.132 28.011 1.00 17.72 H new ATOM 0 HG SER B 76 1.093 28.993 28.311 1.00 29.96 H new ATOM 1583 N CYS B 77 4.428 25.852 25.939 1.00 10.85 N ATOM 1584 CA CYS B 77 4.577 24.805 24.959 1.00 11.58 C ATOM 1585 C CYS B 77 3.254 24.238 24.459 1.00 11.74 C ATOM 1586 O CYS B 77 3.165 23.798 23.317 1.00 10.23 O ATOM 1587 CB CYS B 77 5.408 23.695 25.534 1.00 12.39 C ATOM 1588 SG CYS B 77 7.055 24.246 25.988 1.00 14.25 S ATOM 0 H CYS B 77 4.829 25.705 26.685 1.00 10.85 H new ATOM 0 HA CYS B 77 5.013 25.207 24.192 1.00 11.58 H new ATOM 0 HB2 CYS B 77 4.963 23.332 26.316 1.00 12.39 H new ATOM 0 HB3 CYS B 77 5.476 22.976 24.887 1.00 12.39 H new ATOM 1589 N ASP B 78 2.212 24.266 25.286 1.00 14.70 N ATOM 1590 CA ASP B 78 0.919 23.735 24.833 1.00 17.34 C ATOM 1591 C ASP B 78 0.213 24.533 23.737 1.00 16.08 C ATOM 1592 O ASP B 78 -0.816 24.099 23.219 1.00 17.77 O ATOM 1593 CB ASP B 78 -0.043 23.429 26.014 1.00 27.24 C ATOM 1594 CG ASP B 78 -0.518 24.681 26.770 1.00 37.68 C ATOM 1595 OD1 ASP B 78 0.311 25.565 27.091 1.00 44.04 O ATOM 1596 OD2 ASP B 78 -1.731 24.757 27.080 1.00 41.47 O ATOM 0 H ASP B 78 2.225 24.576 26.088 1.00 14.70 H new ATOM 0 HA ASP B 78 1.164 22.899 24.405 1.00 17.34 H new ATOM 0 HB2 ASP B 78 -0.817 22.954 25.674 1.00 27.24 H new ATOM 0 HB3 ASP B 78 0.403 22.835 26.638 1.00 27.24 H new ATOM 1597 N LYS B 79 0.736 25.700 23.382 1.00 13.23 N ATOM 1598 CA LYS B 79 0.104 26.485 22.333 1.00 11.28 C ATOM 1599 C LYS B 79 0.569 25.895 21.034 1.00 8.07 C ATOM 1600 O LYS B 79 0.000 26.167 19.956 1.00 8.93 O ATOM 1601 CB LYS B 79 0.501 27.959 22.417 1.00 18.44 C ATOM 1602 CG LYS B 79 -0.094 28.710 23.618 1.00 17.15 C ATOM 1603 CD LYS B 79 -1.582 28.814 23.546 1.00 20.05 C ATOM 1604 CE LYS B 79 -2.133 29.261 24.899 1.00 30.33 C ATOM 1605 NZ LYS B 79 -1.725 28.401 26.080 1.00 29.13 N ATOM 0 H LYS B 79 1.442 26.049 23.728 1.00 13.23 H new ATOM 0 HA LYS B 79 -0.862 26.455 22.419 1.00 11.28 H new ATOM 0 HB2 LYS B 79 1.468 28.020 22.458 1.00 18.44 H new ATOM 0 HB3 LYS B 79 0.223 28.404 21.601 1.00 18.44 H new ATOM 0 HG2 LYS B 79 0.156 28.255 24.437 1.00 17.15 H new ATOM 0 HG3 LYS B 79 0.288 29.601 23.661 1.00 17.15 H new ATOM 0 HD2 LYS B 79 -1.838 29.448 22.857 1.00 20.05 H new ATOM 0 HD3 LYS B 79 -1.963 27.957 23.299 1.00 20.05 H new ATOM 0 HE2 LYS B 79 -1.843 30.172 25.065 1.00 30.33 H new ATOM 0 HE3 LYS B 79 -3.102 29.277 24.848 1.00 30.33 H new ATOM 0 HZ1 LYS B 79 -2.316 28.501 26.738 1.00 29.13 H new ATOM 0 HZ2 LYS B 79 -1.700 27.547 25.831 1.00 29.13 H new ATOM 0 HZ3 LYS B 79 -0.919 28.650 26.365 1.00 29.13 H new ATOM 1606 N PHE B 80 1.612 25.087 21.131 1.00 7.48 N ATOM 1607 CA PHE B 80 2.166 24.412 19.979 1.00 9.46 C ATOM 1608 C PHE B 80 1.489 23.038 19.797 1.00 12.77 C ATOM 1609 O PHE B 80 1.950 22.215 19.009 1.00 12.98 O ATOM 1610 CB PHE B 80 3.682 24.239 20.139 1.00 7.23 C ATOM 1611 CG PHE B 80 4.460 25.534 20.243 1.00 4.88 C ATOM 1612 CD1 PHE B 80 4.007 26.706 19.641 1.00 2.99 C ATOM 1613 CD2 PHE B 80 5.686 25.554 20.884 1.00 5.18 C ATOM 1614 CE1 PHE B 80 4.774 27.876 19.667 1.00 2.00 C ATOM 1615 CE2 PHE B 80 6.458 26.722 20.915 1.00 5.79 C ATOM 1616 CZ PHE B 80 5.991 27.887 20.295 1.00 4.58 C ATOM 0 H PHE B 80 2.018 24.916 21.870 1.00 7.48 H new ATOM 0 HA PHE B 80 1.999 24.952 19.191 1.00 9.46 H new ATOM 0 HB2 PHE B 80 3.853 23.709 20.933 1.00 7.23 H new ATOM 0 HB3 PHE B 80 4.019 23.733 19.383 1.00 7.23 H new ATOM 0 HD1 PHE B 80 3.181 26.711 19.215 1.00 2.99 H new ATOM 0 HD2 PHE B 80 6.001 24.783 21.299 1.00 5.18 H new ATOM 0 HE1 PHE B 80 4.457 28.648 19.257 1.00 2.00 H new ATOM 0 HE2 PHE B 80 7.281 26.724 21.348 1.00 5.79 H new ATOM 0 HZ PHE B 80 6.504 28.663 20.309 1.00 4.58 H new ATOM 1617 N LEU B 81 0.358 22.824 20.467 1.00 13.62 N ATOM 1618 CA LEU B 81 -0.354 21.558 20.363 1.00 13.10 C ATOM 1619 C LEU B 81 -1.781 21.638 19.834 1.00 16.67 C ATOM 1620 O LEU B 81 -2.574 20.714 20.014 1.00 20.51 O ATOM 1621 CB LEU B 81 -0.363 20.843 21.708 1.00 13.49 C ATOM 1622 CG LEU B 81 0.873 20.077 22.125 1.00 10.74 C ATOM 1623 CD1 LEU B 81 0.520 19.351 23.378 1.00 6.02 C ATOM 1624 CD2 LEU B 81 1.297 19.098 21.059 1.00 5.34 C ATOM 0 H LEU B 81 -0.012 23.401 20.987 1.00 13.62 H new ATOM 0 HA LEU B 81 0.144 21.061 19.696 1.00 13.10 H new ATOM 0 HB2 LEU B 81 -0.545 21.505 22.393 1.00 13.49 H new ATOM 0 HB3 LEU B 81 -1.109 20.223 21.708 1.00 13.49 H new ATOM 0 HG LEU B 81 1.617 20.684 22.262 1.00 10.74 H new ATOM 0 HD11 LEU B 81 1.287 18.843 23.685 1.00 6.02 H new ATOM 0 HD12 LEU B 81 0.262 19.990 24.061 1.00 6.02 H new ATOM 0 HD13 LEU B 81 -0.219 18.747 23.205 1.00 6.02 H new ATOM 0 HD21 LEU B 81 2.090 18.622 21.353 1.00 5.34 H new ATOM 0 HD22 LEU B 81 0.581 18.464 20.899 1.00 5.34 H new ATOM 0 HD23 LEU B 81 1.494 19.577 20.239 1.00 5.34 H new ATOM 1625 N ASP B 82 -2.141 22.749 19.215 1.00 20.03 N ATOM 1626 CA ASP B 82 -3.481 22.867 18.648 1.00 19.25 C ATOM 1627 C ASP B 82 -3.427 22.917 17.137 1.00 19.15 C ATOM 1628 O ASP B 82 -2.369 22.741 16.543 1.00 16.53 O ATOM 1629 CB ASP B 82 -4.233 24.084 19.211 1.00 22.32 C ATOM 1630 CG ASP B 82 -3.370 25.326 19.301 1.00 25.70 C ATOM 1631 OD1 ASP B 82 -2.796 25.764 18.279 1.00 26.33 O ATOM 1632 OD2 ASP B 82 -3.268 25.865 20.418 1.00 32.87 O ATOM 0 H ASP B 82 -1.637 23.438 19.111 1.00 20.03 H new ATOM 0 HA ASP B 82 -3.976 22.074 18.908 1.00 19.25 H new ATOM 0 HB2 ASP B 82 -5.002 24.271 18.649 1.00 22.32 H new ATOM 0 HB3 ASP B 82 -4.572 23.868 20.094 1.00 22.32 H new ATOM 1633 N ASP B 83 -4.556 23.265 16.530 1.00 24.68 N ATOM 1634 CA ASP B 83 -4.668 23.325 15.085 1.00 28.94 C ATOM 1635 C ASP B 83 -4.401 24.684 14.460 1.00 27.58 C ATOM 1636 O ASP B 83 -4.565 24.841 13.246 1.00 31.20 O ATOM 1637 CB ASP B 83 -6.043 22.807 14.651 1.00 37.27 C ATOM 1638 CG ASP B 83 -6.429 21.519 15.362 1.00 47.66 C ATOM 1639 OD1 ASP B 83 -5.648 20.530 15.306 1.00 51.89 O ATOM 1640 OD2 ASP B 83 -7.508 21.509 16.000 1.00 53.33 O ATOM 0 H ASP B 83 -5.278 23.473 16.948 1.00 24.68 H new ATOM 0 HA ASP B 83 -3.956 22.756 14.752 1.00 28.94 H new ATOM 0 HB2 ASP B 83 -6.713 23.485 14.830 1.00 37.27 H new ATOM 0 HB3 ASP B 83 -6.041 22.656 13.693 1.00 37.27 H new ATOM 1641 N ASP B 84 -4.082 25.681 15.282 1.00 23.54 N ATOM 1642 CA ASP B 84 -3.765 27.013 14.766 1.00 23.28 C ATOM 1643 C ASP B 84 -2.238 27.108 14.728 1.00 22.88 C ATOM 1644 O ASP B 84 -1.575 27.130 15.788 1.00 22.83 O ATOM 1645 CB ASP B 84 -4.364 28.124 15.648 1.00 25.56 C ATOM 1646 CG ASP B 84 -3.882 29.510 15.244 1.00 30.75 C ATOM 1647 OD1 ASP B 84 -3.892 29.808 14.030 1.00 36.35 O ATOM 1648 OD2 ASP B 84 -3.454 30.291 16.127 1.00 33.63 O ATOM 0 H ASP B 84 -4.043 25.609 16.138 1.00 23.54 H new ATOM 0 HA ASP B 84 -4.149 27.137 13.884 1.00 23.28 H new ATOM 0 HB2 ASP B 84 -5.332 28.092 15.591 1.00 25.56 H new ATOM 0 HB3 ASP B 84 -4.129 27.960 16.575 1.00 25.56 H new ATOM 1649 N LEU B 85 -1.680 27.183 13.522 1.00 18.64 N ATOM 1650 CA LEU B 85 -0.233 27.223 13.343 1.00 15.54 C ATOM 1651 C LEU B 85 0.434 28.592 13.359 1.00 12.08 C ATOM 1652 O LEU B 85 1.654 28.704 13.336 1.00 15.10 O ATOM 1653 CB LEU B 85 0.169 26.421 12.093 1.00 21.29 C ATOM 1654 CG LEU B 85 -0.163 24.910 12.085 1.00 22.64 C ATOM 1655 CD1 LEU B 85 0.475 24.266 10.868 1.00 25.48 C ATOM 1656 CD2 LEU B 85 0.348 24.204 13.355 1.00 18.44 C ATOM 0 H LEU B 85 -2.128 27.212 12.788 1.00 18.64 H new ATOM 0 HA LEU B 85 0.114 26.808 14.148 1.00 15.54 H new ATOM 0 HB2 LEU B 85 -0.261 26.827 11.324 1.00 21.29 H new ATOM 0 HB3 LEU B 85 1.126 26.519 11.968 1.00 21.29 H new ATOM 0 HG LEU B 85 -1.128 24.816 12.057 1.00 22.64 H new ATOM 0 HD11 LEU B 85 0.270 23.318 10.858 1.00 25.48 H new ATOM 0 HD12 LEU B 85 0.127 24.680 10.063 1.00 25.48 H new ATOM 0 HD13 LEU B 85 1.437 24.388 10.904 1.00 25.48 H new ATOM 0 HD21 LEU B 85 0.122 23.261 13.315 1.00 18.44 H new ATOM 0 HD22 LEU B 85 1.311 24.303 13.415 1.00 18.44 H new ATOM 0 HD23 LEU B 85 -0.067 24.602 14.136 1.00 18.44 H new ATOM 1657 N THR B 86 -0.352 29.623 13.567 1.00 10.31 N ATOM 1658 CA THR B 86 0.189 30.968 13.586 1.00 13.55 C ATOM 1659 C THR B 86 1.326 31.196 14.585 1.00 12.93 C ATOM 1660 O THR B 86 2.374 31.743 14.241 1.00 12.78 O ATOM 1661 CB THR B 86 -0.932 31.966 13.843 1.00 17.45 C ATOM 1662 OG1 THR B 86 -1.910 31.844 12.797 1.00 21.16 O ATOM 1663 CG2 THR B 86 -0.380 33.386 13.885 1.00 17.56 C ATOM 0 H THR B 86 -1.200 29.571 13.700 1.00 10.31 H new ATOM 0 HA THR B 86 0.586 31.101 12.711 1.00 13.55 H new ATOM 0 HB THR B 86 -1.344 31.777 14.700 1.00 17.45 H new ATOM 0 HG1 THR B 86 -2.499 31.291 13.027 1.00 21.16 H new ATOM 0 HG21 THR B 86 -1.104 34.010 14.049 1.00 17.56 H new ATOM 0 HG22 THR B 86 0.276 33.458 14.596 1.00 17.56 H new ATOM 0 HG23 THR B 86 0.040 33.595 13.036 1.00 17.56 H new ATOM 1664 N ASP B 87 1.117 30.799 15.833 1.00 13.96 N ATOM 1665 CA ASP B 87 2.154 30.995 16.826 1.00 11.96 C ATOM 1666 C ASP B 87 3.352 30.042 16.691 1.00 11.65 C ATOM 1667 O ASP B 87 4.462 30.360 17.117 1.00 16.23 O ATOM 1668 CB ASP B 87 1.554 30.939 18.227 1.00 15.99 C ATOM 1669 CG ASP B 87 0.747 29.691 18.479 1.00 15.47 C ATOM 1670 OD1 ASP B 87 0.783 28.766 17.658 1.00 14.72 O ATOM 1671 OD2 ASP B 87 0.072 29.646 19.520 1.00 15.85 O ATOM 0 H ASP B 87 0.398 30.423 16.118 1.00 13.96 H new ATOM 0 HA ASP B 87 2.521 31.878 16.664 1.00 11.96 H new ATOM 0 HB2 ASP B 87 2.269 30.992 18.881 1.00 15.99 H new ATOM 0 HB3 ASP B 87 0.988 31.715 18.361 1.00 15.99 H new ATOM 1672 N ASP B 88 3.120 28.880 16.086 1.00 12.43 N ATOM 1673 CA ASP B 88 4.163 27.869 15.876 1.00 8.89 C ATOM 1674 C ASP B 88 5.161 28.458 14.889 1.00 6.64 C ATOM 1675 O ASP B 88 6.367 28.275 15.002 1.00 10.83 O ATOM 1676 CB ASP B 88 3.576 26.606 15.216 1.00 6.04 C ATOM 1677 CG ASP B 88 2.595 25.816 16.119 1.00 13.03 C ATOM 1678 OD1 ASP B 88 1.466 26.286 16.415 1.00 10.75 O ATOM 1679 OD2 ASP B 88 2.920 24.653 16.446 1.00 10.72 O ATOM 0 H ASP B 88 2.349 28.651 15.782 1.00 12.43 H new ATOM 0 HA ASP B 88 4.561 27.635 16.729 1.00 8.89 H new ATOM 0 HB2 ASP B 88 3.115 26.863 14.402 1.00 6.04 H new ATOM 0 HB3 ASP B 88 4.304 26.020 14.957 1.00 6.04 H new ATOM 1680 N ILE B 89 4.610 29.097 13.865 1.00 8.11 N ATOM 1681 CA ILE B 89 5.359 29.707 12.788 1.00 9.19 C ATOM 1682 C ILE B 89 6.231 30.862 13.275 1.00 9.19 C ATOM 1683 O ILE B 89 7.412 30.945 12.942 1.00 8.95 O ATOM 1684 CB ILE B 89 4.373 30.144 11.646 1.00 14.61 C ATOM 1685 CG1 ILE B 89 3.766 28.889 10.991 1.00 7.70 C ATOM 1686 CG2 ILE B 89 5.065 31.099 10.636 1.00 10.69 C ATOM 1687 CD1 ILE B 89 2.847 29.169 9.777 1.00 8.40 C ATOM 0 H ILE B 89 3.759 29.188 13.779 1.00 8.11 H new ATOM 0 HA ILE B 89 5.975 29.050 12.427 1.00 9.19 H new ATOM 0 HB ILE B 89 3.642 30.659 12.021 1.00 14.61 H new ATOM 0 HG12 ILE B 89 4.488 28.307 10.706 1.00 7.70 H new ATOM 0 HG13 ILE B 89 3.258 28.404 11.660 1.00 7.70 H new ATOM 0 HG21 ILE B 89 4.434 31.351 9.944 1.00 10.69 H new ATOM 0 HG22 ILE B 89 5.371 31.894 11.100 1.00 10.69 H new ATOM 0 HG23 ILE B 89 5.823 30.649 10.232 1.00 10.69 H new ATOM 0 HD11 ILE B 89 2.509 28.330 9.426 1.00 8.40 H new ATOM 0 HD12 ILE B 89 2.103 29.726 10.056 1.00 8.40 H new ATOM 0 HD13 ILE B 89 3.352 29.627 9.087 1.00 8.40 H new ATOM 1688 N VAL B 90 5.668 31.722 14.114 1.00 7.44 N ATOM 1689 CA VAL B 90 6.437 32.829 14.645 1.00 9.43 C ATOM 1690 C VAL B 90 7.615 32.288 15.437 1.00 9.67 C ATOM 1691 O VAL B 90 8.717 32.832 15.384 1.00 12.07 O ATOM 1692 CB VAL B 90 5.568 33.725 15.534 1.00 13.10 C ATOM 1693 CG1 VAL B 90 6.408 34.838 16.118 1.00 16.42 C ATOM 1694 CG2 VAL B 90 4.407 34.301 14.721 1.00 11.73 C ATOM 0 H VAL B 90 4.852 31.681 14.384 1.00 7.44 H new ATOM 0 HA VAL B 90 6.761 33.367 13.906 1.00 9.43 H new ATOM 0 HB VAL B 90 5.203 33.196 16.261 1.00 13.10 H new ATOM 0 HG11 VAL B 90 5.853 35.402 16.680 1.00 16.42 H new ATOM 0 HG12 VAL B 90 7.125 34.458 16.650 1.00 16.42 H new ATOM 0 HG13 VAL B 90 6.786 35.369 15.400 1.00 16.42 H new ATOM 0 HG21 VAL B 90 3.862 34.866 15.290 1.00 11.73 H new ATOM 0 HG22 VAL B 90 4.757 34.826 13.984 1.00 11.73 H new ATOM 0 HG23 VAL B 90 3.865 33.576 14.372 1.00 11.73 H new ATOM 1695 N CYS B 91 7.394 31.196 16.161 1.00 10.69 N ATOM 1696 CA CYS B 91 8.480 30.609 16.921 1.00 7.27 C ATOM 1697 C CYS B 91 9.417 29.886 15.974 1.00 6.74 C ATOM 1698 O CYS B 91 10.622 29.893 16.192 1.00 8.49 O ATOM 1699 CB CYS B 91 7.968 29.667 18.011 1.00 7.65 C ATOM 1700 SG CYS B 91 9.247 28.988 19.124 1.00 10.26 S ATOM 0 H CYS B 91 6.639 30.790 16.223 1.00 10.69 H new ATOM 0 HA CYS B 91 8.961 31.320 17.372 1.00 7.27 H new ATOM 0 HB2 CYS B 91 7.314 30.142 18.547 1.00 7.65 H new ATOM 0 HB3 CYS B 91 7.504 28.928 17.587 1.00 7.65 H new ATOM 1701 N ALA B 92 8.905 29.302 14.891 1.00 8.00 N ATOM 1702 CA ALA B 92 9.806 28.592 13.969 1.00 7.37 C ATOM 1703 C ALA B 92 10.735 29.564 13.264 1.00 7.80 C ATOM 1704 O ALA B 92 11.861 29.215 12.921 1.00 12.30 O ATOM 1705 CB ALA B 92 9.038 27.758 12.974 1.00 6.94 C ATOM 0 H ALA B 92 8.073 29.301 14.673 1.00 8.00 H new ATOM 0 HA ALA B 92 10.348 27.986 14.498 1.00 7.37 H new ATOM 0 HB1 ALA B 92 9.660 27.305 12.383 1.00 6.94 H new ATOM 0 HB2 ALA B 92 8.504 27.101 13.447 1.00 6.94 H new ATOM 0 HB3 ALA B 92 8.456 28.332 12.452 1.00 6.94 H new ATOM 1706 N LYS B 93 10.291 30.807 13.093 1.00 8.45 N ATOM 1707 CA LYS B 93 11.125 31.834 12.476 1.00 6.77 C ATOM 1708 C LYS B 93 12.304 32.188 13.369 1.00 8.19 C ATOM 1709 O LYS B 93 13.441 32.309 12.902 1.00 10.01 O ATOM 1710 CB LYS B 93 10.290 33.068 12.153 1.00 10.77 C ATOM 1711 CG LYS B 93 9.400 32.866 10.926 1.00 8.29 C ATOM 1712 CD LYS B 93 8.440 34.015 10.754 1.00 12.63 C ATOM 1713 CE LYS B 93 7.722 33.916 9.447 1.00 14.16 C ATOM 1714 NZ LYS B 93 6.624 34.904 9.402 1.00 24.49 N ATOM 0 H LYS B 93 9.509 31.076 13.328 1.00 8.45 H new ATOM 0 HA LYS B 93 11.483 31.482 11.646 1.00 6.77 H new ATOM 0 HB2 LYS B 93 9.736 33.290 12.918 1.00 10.77 H new ATOM 0 HB3 LYS B 93 10.879 33.823 12.001 1.00 10.77 H new ATOM 0 HG2 LYS B 93 9.952 32.781 10.133 1.00 8.29 H new ATOM 0 HG3 LYS B 93 8.904 32.037 11.016 1.00 8.29 H new ATOM 0 HD2 LYS B 93 7.798 34.017 11.481 1.00 12.63 H new ATOM 0 HD3 LYS B 93 8.923 34.855 10.800 1.00 12.63 H new ATOM 0 HE2 LYS B 93 8.340 34.074 8.716 1.00 14.16 H new ATOM 0 HE3 LYS B 93 7.367 33.021 9.330 1.00 14.16 H new ATOM 0 HZ1 LYS B 93 6.200 34.841 8.622 1.00 24.49 H new ATOM 0 HZ2 LYS B 93 6.052 34.743 10.064 1.00 24.49 H new ATOM 0 HZ3 LYS B 93 6.958 35.724 9.492 1.00 24.49 H new ATOM 1715 N LYS B 94 12.051 32.285 14.670 1.00 10.20 N ATOM 1716 CA LYS B 94 13.100 32.581 15.638 1.00 9.03 C ATOM 1717 C LYS B 94 14.153 31.492 15.640 1.00 10.53 C ATOM 1718 O LYS B 94 15.346 31.779 15.689 1.00 17.62 O ATOM 1719 CB LYS B 94 12.519 32.700 17.037 1.00 15.64 C ATOM 1720 CG LYS B 94 11.540 33.842 17.239 1.00 22.26 C ATOM 1721 CD LYS B 94 11.527 34.240 18.713 1.00 26.35 C ATOM 1722 CE LYS B 94 10.693 35.483 18.964 1.00 32.47 C ATOM 1723 NZ LYS B 94 9.231 35.233 18.795 1.00 37.97 N ATOM 0 H LYS B 94 11.270 32.182 15.015 1.00 10.20 H new ATOM 0 HA LYS B 94 13.506 33.423 15.380 1.00 9.03 H new ATOM 0 HB2 LYS B 94 12.072 31.868 17.257 1.00 15.64 H new ATOM 0 HB3 LYS B 94 13.249 32.805 17.667 1.00 15.64 H new ATOM 0 HG2 LYS B 94 11.794 34.601 16.691 1.00 22.26 H new ATOM 0 HG3 LYS B 94 10.651 33.574 16.958 1.00 22.26 H new ATOM 0 HD2 LYS B 94 11.177 33.506 19.242 1.00 26.35 H new ATOM 0 HD3 LYS B 94 12.436 34.397 19.012 1.00 26.35 H new ATOM 0 HE2 LYS B 94 10.861 35.806 19.863 1.00 32.47 H new ATOM 0 HE3 LYS B 94 10.971 36.184 18.354 1.00 32.47 H new ATOM 0 HZ1 LYS B 94 8.781 35.985 18.951 1.00 37.97 H new ATOM 0 HZ2 LYS B 94 9.071 34.959 17.964 1.00 37.97 H new ATOM 0 HZ3 LYS B 94 8.968 34.606 19.370 1.00 37.97 H new ATOM 1724 N ILE B 95 13.724 30.237 15.654 1.00 8.83 N ATOM 1725 CA ILE B 95 14.669 29.111 15.635 1.00 8.86 C ATOM 1726 C ILE B 95 15.543 29.170 14.378 1.00 10.39 C ATOM 1727 O ILE B 95 16.760 28.973 14.432 1.00 10.82 O ATOM 1728 CB ILE B 95 13.924 27.755 15.686 1.00 4.79 C ATOM 1729 CG1 ILE B 95 13.115 27.676 16.985 1.00 3.84 C ATOM 1730 CG2 ILE B 95 14.906 26.607 15.583 1.00 5.98 C ATOM 1731 CD1 ILE B 95 12.358 26.381 17.185 1.00 5.30 C ATOM 0 H ILE B 95 12.895 30.009 15.674 1.00 8.83 H new ATOM 0 HA ILE B 95 15.231 29.184 16.422 1.00 8.86 H new ATOM 0 HB ILE B 95 13.317 27.688 14.933 1.00 4.79 H new ATOM 0 HG12 ILE B 95 13.718 27.802 17.734 1.00 3.84 H new ATOM 0 HG13 ILE B 95 12.483 28.411 17.002 1.00 3.84 H new ATOM 0 HG21 ILE B 95 14.425 25.765 15.616 1.00 5.98 H new ATOM 0 HG22 ILE B 95 15.390 26.669 14.745 1.00 5.98 H new ATOM 0 HG23 ILE B 95 15.533 26.650 16.322 1.00 5.98 H new ATOM 0 HD11 ILE B 95 11.876 26.414 18.026 1.00 5.30 H new ATOM 0 HD12 ILE B 95 11.729 26.258 16.457 1.00 5.30 H new ATOM 0 HD13 ILE B 95 12.983 25.640 17.200 1.00 5.30 H new ATOM 1732 N LEU B 96 14.916 29.468 13.248 1.00 12.38 N ATOM 1733 CA LEU B 96 15.645 29.589 11.999 1.00 13.74 C ATOM 1734 C LEU B 96 16.666 30.735 12.115 1.00 16.48 C ATOM 1735 O LEU B 96 17.821 30.553 11.763 1.00 20.79 O ATOM 1736 CB LEU B 96 14.677 29.805 10.826 1.00 13.34 C ATOM 1737 CG LEU B 96 15.174 29.770 9.367 1.00 15.31 C ATOM 1738 CD1 LEU B 96 15.946 28.502 9.079 1.00 12.01 C ATOM 1739 CD2 LEU B 96 13.988 29.891 8.408 1.00 13.00 C ATOM 0 H LEU B 96 14.069 29.604 13.185 1.00 12.38 H new ATOM 0 HA LEU B 96 16.127 28.766 11.822 1.00 13.74 H new ATOM 0 HB2 LEU B 96 13.981 29.134 10.905 1.00 13.34 H new ATOM 0 HB3 LEU B 96 14.255 30.668 10.961 1.00 13.34 H new ATOM 0 HG LEU B 96 15.773 30.522 9.235 1.00 15.31 H new ATOM 0 HD11 LEU B 96 16.245 28.508 8.156 1.00 12.01 H new ATOM 0 HD12 LEU B 96 16.715 28.450 9.668 1.00 12.01 H new ATOM 0 HD13 LEU B 96 15.373 27.733 9.228 1.00 12.01 H new ATOM 0 HD21 LEU B 96 14.308 29.868 7.493 1.00 13.00 H new ATOM 0 HD22 LEU B 96 13.376 29.153 8.555 1.00 13.00 H new ATOM 0 HD23 LEU B 96 13.526 30.729 8.568 1.00 13.00 H new ATOM 1740 N ASP B 97 16.278 31.891 12.653 1.00 19.03 N ATOM 1741 CA ASP B 97 17.248 32.999 12.798 1.00 20.59 C ATOM 1742 C ASP B 97 18.415 32.614 13.691 1.00 21.65 C ATOM 1743 O ASP B 97 19.572 32.880 13.372 1.00 25.50 O ATOM 1744 CB ASP B 97 16.616 34.249 13.410 1.00 23.08 C ATOM 1745 CG ASP B 97 15.566 34.879 12.527 1.00 29.12 C ATOM 1746 OD1 ASP B 97 15.659 34.739 11.284 1.00 31.64 O ATOM 1747 OD2 ASP B 97 14.642 35.524 13.085 1.00 35.50 O ATOM 0 H ASP B 97 15.483 32.060 12.935 1.00 19.03 H new ATOM 0 HA ASP B 97 17.553 33.186 11.896 1.00 20.59 H new ATOM 0 HB2 ASP B 97 16.216 34.017 14.263 1.00 23.08 H new ATOM 0 HB3 ASP B 97 17.312 34.901 13.590 1.00 23.08 H new ATOM 1748 N LYS B 98 18.104 31.998 14.822 1.00 21.49 N ATOM 1749 CA LYS B 98 19.125 31.613 15.780 1.00 22.29 C ATOM 1750 C LYS B 98 20.009 30.429 15.465 1.00 20.49 C ATOM 1751 O LYS B 98 21.220 30.543 15.492 1.00 20.05 O ATOM 1752 CB LYS B 98 18.498 31.375 17.147 1.00 27.37 C ATOM 1753 CG LYS B 98 18.347 32.615 18.000 1.00 36.48 C ATOM 1754 CD LYS B 98 17.248 33.553 17.516 1.00 38.03 C ATOM 1755 CE LYS B 98 17.163 34.757 18.444 1.00 42.06 C ATOM 1756 NZ LYS B 98 18.507 35.411 18.582 1.00 43.70 N ATOM 0 H LYS B 98 17.302 31.793 15.054 1.00 21.49 H new ATOM 0 HA LYS B 98 19.724 32.376 15.747 1.00 22.29 H new ATOM 0 HB2 LYS B 98 17.623 30.975 17.022 1.00 27.37 H new ATOM 0 HB3 LYS B 98 19.039 30.730 17.629 1.00 27.37 H new ATOM 0 HG2 LYS B 98 18.157 32.350 18.914 1.00 36.48 H new ATOM 0 HG3 LYS B 98 19.190 33.095 18.013 1.00 36.48 H new ATOM 0 HD2 LYS B 98 17.434 33.844 16.609 1.00 38.03 H new ATOM 0 HD3 LYS B 98 16.397 33.087 17.496 1.00 38.03 H new ATOM 0 HE2 LYS B 98 16.521 35.395 18.096 1.00 42.06 H new ATOM 0 HE3 LYS B 98 16.842 34.478 19.316 1.00 42.06 H new ATOM 0 HZ1 LYS B 98 18.401 36.259 18.829 1.00 43.70 H new ATOM 0 HZ2 LYS B 98 18.985 34.981 19.197 1.00 43.70 H new ATOM 0 HZ3 LYS B 98 18.934 35.381 17.801 1.00 43.70 H new ATOM 1757 N VAL B 99 19.401 29.275 15.227 1.00 23.37 N ATOM 1758 CA VAL B 99 20.163 28.049 14.986 1.00 25.20 C ATOM 1759 C VAL B 99 20.215 27.530 13.534 1.00 24.63 C ATOM 1760 O VAL B 99 21.106 26.751 13.162 1.00 25.46 O ATOM 1761 CB VAL B 99 19.642 26.937 15.919 1.00 24.17 C ATOM 1762 CG1 VAL B 99 19.446 27.486 17.315 1.00 25.61 C ATOM 1763 CG2 VAL B 99 18.326 26.402 15.416 1.00 33.67 C ATOM 0 H VAL B 99 18.547 29.176 15.200 1.00 23.37 H new ATOM 0 HA VAL B 99 21.082 28.294 15.177 1.00 25.20 H new ATOM 0 HB VAL B 99 20.296 26.220 15.935 1.00 24.17 H new ATOM 0 HG11 VAL B 99 19.118 26.782 17.897 1.00 25.61 H new ATOM 0 HG12 VAL B 99 20.292 27.818 17.654 1.00 25.61 H new ATOM 0 HG13 VAL B 99 18.802 28.211 17.290 1.00 25.61 H new ATOM 0 HG21 VAL B 99 18.011 25.704 16.012 1.00 33.67 H new ATOM 0 HG22 VAL B 99 17.675 27.120 15.387 1.00 33.67 H new ATOM 0 HG23 VAL B 99 18.444 26.037 14.525 1.00 33.67 H new ATOM 1764 N GLY B 100 19.257 27.956 12.723 1.00 23.75 N ATOM 1765 CA GLY B 100 19.212 27.508 11.349 1.00 19.79 C ATOM 1766 C GLY B 100 18.422 26.227 11.186 1.00 18.72 C ATOM 1767 O GLY B 100 17.956 25.628 12.157 1.00 19.65 O ATOM 0 H GLY B 100 18.630 28.500 12.950 1.00 23.75 H new ATOM 0 HA2 GLY B 100 18.816 28.201 10.798 1.00 19.79 H new ATOM 0 HA3 GLY B 100 20.116 27.371 11.026 1.00 19.79 H new ATOM 1768 N ILE B 101 18.295 25.807 9.932 1.00 21.36 N ATOM 1769 CA ILE B 101 17.564 24.598 9.535 1.00 21.55 C ATOM 1770 C ILE B 101 18.093 23.344 10.245 1.00 20.28 C ATOM 1771 O ILE B 101 17.394 22.335 10.360 1.00 17.75 O ATOM 1772 CB ILE B 101 17.625 24.418 7.965 1.00 19.65 C ATOM 1773 CG1 ILE B 101 16.402 23.654 7.456 1.00 16.28 C ATOM 1774 CG2 ILE B 101 18.929 23.729 7.524 1.00 20.58 C ATOM 1775 CD1 ILE B 101 15.102 24.359 7.762 1.00 16.55 C ATOM 0 H ILE B 101 18.640 26.227 9.266 1.00 21.36 H new ATOM 0 HA ILE B 101 16.640 24.710 9.807 1.00 21.55 H new ATOM 0 HB ILE B 101 17.616 25.303 7.568 1.00 19.65 H new ATOM 0 HG12 ILE B 101 16.480 23.530 6.497 1.00 16.28 H new ATOM 0 HG13 ILE B 101 16.388 22.771 7.856 1.00 16.28 H new ATOM 0 HG21 ILE B 101 18.935 23.634 6.559 1.00 20.58 H new ATOM 0 HG22 ILE B 101 19.688 24.266 7.800 1.00 20.58 H new ATOM 0 HG23 ILE B 101 18.987 22.852 7.935 1.00 20.58 H new ATOM 0 HD11 ILE B 101 14.361 23.835 7.419 1.00 16.55 H new ATOM 0 HD12 ILE B 101 15.008 24.462 8.722 1.00 16.55 H new ATOM 0 HD13 ILE B 101 15.101 25.233 7.341 1.00 16.55 H new ATOM 1776 N ASN B 102 19.310 23.437 10.771 1.00 22.90 N ATOM 1777 CA ASN B 102 19.931 22.320 11.467 1.00 23.95 C ATOM 1778 C ASN B 102 19.261 21.991 12.790 1.00 20.32 C ATOM 1779 O ASN B 102 19.664 21.065 13.485 1.00 18.34 O ATOM 1780 CB ASN B 102 21.433 22.544 11.631 1.00 33.58 C ATOM 1781 CG ASN B 102 22.181 22.442 10.306 1.00 42.59 C ATOM 1782 OD1 ASN B 102 22.792 23.416 9.843 1.00 49.44 O ATOM 1783 ND2 ASN B 102 22.102 21.278 9.668 1.00 44.86 N ATOM 0 H ASN B 102 19.795 24.146 10.734 1.00 22.90 H new ATOM 0 HA ASN B 102 19.802 21.539 10.907 1.00 23.95 H new ATOM 0 HB2 ASN B 102 21.587 23.419 12.020 1.00 33.58 H new ATOM 0 HB3 ASN B 102 21.790 21.890 12.253 1.00 33.58 H new ATOM 0 HD21 ASN B 102 22.484 21.180 8.904 1.00 44.86 H new ATOM 0 HD22 ASN B 102 21.669 20.623 10.020 1.00 44.86 H new ATOM 1784 N TYR B 103 18.259 22.772 13.163 1.00 17.01 N ATOM 1785 CA TYR B 103 17.521 22.462 14.366 1.00 14.30 C ATOM 1786 C TYR B 103 16.770 21.199 13.988 1.00 16.10 C ATOM 1787 O TYR B 103 16.663 20.262 14.777 1.00 15.87 O ATOM 1788 CB TYR B 103 16.497 23.551 14.679 1.00 10.48 C ATOM 1789 CG TYR B 103 15.603 23.216 15.862 1.00 8.06 C ATOM 1790 CD1 TYR B 103 16.060 23.346 17.186 1.00 9.87 C ATOM 1791 CD2 TYR B 103 14.310 22.753 15.667 1.00 8.95 C ATOM 1792 CE1 TYR B 103 15.232 23.015 18.282 1.00 6.49 C ATOM 1793 CE2 TYR B 103 13.483 22.421 16.746 1.00 8.50 C ATOM 1794 CZ TYR B 103 13.950 22.554 18.041 1.00 6.65 C ATOM 1795 OH TYR B 103 13.130 22.197 19.079 1.00 12.14 O ATOM 0 H TYR B 103 17.996 23.473 12.740 1.00 17.01 H new ATOM 0 HA TYR B 103 18.099 22.378 15.140 1.00 14.30 H new ATOM 0 HB2 TYR B 103 16.963 24.382 14.860 1.00 10.48 H new ATOM 0 HB3 TYR B 103 15.944 23.700 13.896 1.00 10.48 H new ATOM 0 HD1 TYR B 103 16.923 23.655 17.343 1.00 9.87 H new ATOM 0 HD2 TYR B 103 13.986 22.661 14.800 1.00 8.95 H new ATOM 0 HE1 TYR B 103 15.544 23.106 19.153 1.00 6.49 H new ATOM 0 HE2 TYR B 103 12.620 22.111 16.592 1.00 8.50 H new ATOM 0 HH TYR B 103 12.511 21.707 18.792 1.00 12.14 H new ATOM 1796 N TRP B 104 16.251 21.187 12.762 1.00 16.81 N ATOM 1797 CA TRP B 104 15.468 20.062 12.270 1.00 15.57 C ATOM 1798 C TRP B 104 16.224 19.049 11.434 1.00 15.19 C ATOM 1799 O TRP B 104 15.970 17.855 11.541 1.00 18.75 O ATOM 1800 CB TRP B 104 14.279 20.555 11.457 1.00 11.51 C ATOM 1801 CG TRP B 104 13.391 21.483 12.182 1.00 11.75 C ATOM 1802 CD1 TRP B 104 12.348 21.148 12.992 1.00 13.05 C ATOM 1803 CD2 TRP B 104 13.417 22.919 12.128 1.00 10.24 C ATOM 1804 NE1 TRP B 104 11.720 22.284 13.443 1.00 13.31 N ATOM 1805 CE2 TRP B 104 12.354 23.384 12.929 1.00 11.84 C ATOM 1806 CE3 TRP B 104 14.236 23.852 11.481 1.00 8.77 C ATOM 1807 CZ2 TRP B 104 12.089 24.752 13.100 1.00 6.15 C ATOM 1808 CZ3 TRP B 104 13.971 25.205 11.656 1.00 3.47 C ATOM 1809 CH2 TRP B 104 12.910 25.636 12.455 1.00 4.22 C ATOM 0 H TRP B 104 16.343 21.828 12.196 1.00 16.81 H new ATOM 0 HA TRP B 104 15.192 19.600 13.077 1.00 15.57 H new ATOM 0 HB2 TRP B 104 14.608 20.996 10.658 1.00 11.51 H new ATOM 0 HB3 TRP B 104 13.760 19.789 11.165 1.00 11.51 H new ATOM 0 HD1 TRP B 104 12.098 20.279 13.208 1.00 13.05 H new ATOM 0 HE1 TRP B 104 11.037 22.302 13.965 1.00 13.31 H new ATOM 0 HE3 TRP B 104 14.943 23.572 10.945 1.00 8.77 H new ATOM 0 HZ2 TRP B 104 11.384 25.045 13.630 1.00 6.15 H new ATOM 0 HZ3 TRP B 104 14.510 25.834 11.234 1.00 3.47 H new ATOM 0 HH2 TRP B 104 12.757 26.548 12.551 1.00 4.22 H new ATOM 1810 N LEU B 105 17.138 19.527 10.598 1.00 16.73 N ATOM 1811 CA LEU B 105 17.896 18.670 9.702 1.00 15.06 C ATOM 1812 C LEU B 105 19.372 18.467 10.028 1.00 16.19 C ATOM 1813 O LEU B 105 20.148 19.424 10.025 1.00 17.65 O ATOM 1814 CB LEU B 105 17.755 19.204 8.266 1.00 12.57 C ATOM 1815 CG LEU B 105 16.520 18.794 7.453 1.00 9.07 C ATOM 1816 CD1 LEU B 105 15.515 17.985 8.256 1.00 11.05 C ATOM 1817 CD2 LEU B 105 15.874 20.014 6.866 1.00 9.86 C ATOM 0 H LEU B 105 17.335 20.362 10.536 1.00 16.73 H new ATOM 0 HA LEU B 105 17.507 17.789 9.815 1.00 15.06 H new ATOM 0 HB2 LEU B 105 17.773 20.173 8.308 1.00 12.57 H new ATOM 0 HB3 LEU B 105 18.541 18.927 7.769 1.00 12.57 H new ATOM 0 HG LEU B 105 16.826 18.210 6.742 1.00 9.07 H new ATOM 0 HD11 LEU B 105 14.760 17.756 7.692 1.00 11.05 H new ATOM 0 HD12 LEU B 105 15.936 17.173 8.578 1.00 11.05 H new ATOM 0 HD13 LEU B 105 15.207 18.510 9.011 1.00 11.05 H new ATOM 0 HD21 LEU B 105 15.094 19.752 6.353 1.00 9.86 H new ATOM 0 HD22 LEU B 105 15.605 20.613 7.580 1.00 9.86 H new ATOM 0 HD23 LEU B 105 16.505 20.467 6.285 1.00 9.86 H new ATOM 1818 N ALA B 106 19.764 17.209 10.242 1.00 18.42 N ATOM 1819 CA ALA B 106 21.162 16.861 10.522 1.00 19.26 C ATOM 1820 C ALA B 106 21.971 17.226 9.298 1.00 19.50 C ATOM 1821 O ALA B 106 23.110 17.675 9.386 1.00 22.15 O ATOM 1822 CB ALA B 106 21.299 15.366 10.783 1.00 22.04 C ATOM 0 H ALA B 106 19.230 16.535 10.229 1.00 18.42 H new ATOM 0 HA ALA B 106 21.472 17.337 11.308 1.00 19.26 H new ATOM 0 HB1 ALA B 106 22.227 15.153 10.966 1.00 22.04 H new ATOM 0 HB2 ALA B 106 20.754 15.119 11.547 1.00 22.04 H new ATOM 0 HB3 ALA B 106 21.002 14.873 10.002 1.00 22.04 H new ATOM 1823 N HIS B 107 21.388 16.977 8.138 1.00 19.00 N ATOM 1824 CA HIS B 107 22.048 17.303 6.893 1.00 18.47 C ATOM 1825 C HIS B 107 20.983 17.912 5.965 1.00 19.34 C ATOM 1826 O HIS B 107 19.927 17.322 5.751 1.00 19.11 O ATOM 1827 CB HIS B 107 22.700 16.044 6.297 1.00 21.40 C ATOM 1828 CG HIS B 107 23.800 15.456 7.144 1.00 22.19 C ATOM 1829 ND1 HIS B 107 25.074 15.987 7.196 1.00 24.61 N ATOM 1830 CD2 HIS B 107 23.831 14.352 7.933 1.00 21.61 C ATOM 1831 CE1 HIS B 107 25.840 15.236 7.971 1.00 24.19 C ATOM 1832 NE2 HIS B 107 25.105 14.239 8.429 1.00 26.90 N ATOM 0 H HIS B 107 20.610 16.620 8.052 1.00 19.00 H new ATOM 0 HA HIS B 107 22.765 17.944 7.022 1.00 18.47 H new ATOM 0 HB2 HIS B 107 22.015 15.371 6.162 1.00 21.40 H new ATOM 0 HB3 HIS B 107 23.060 16.262 5.423 1.00 21.40 H new ATOM 0 HD2 HIS B 107 23.120 13.778 8.106 1.00 21.61 H new ATOM 0 HE1 HIS B 107 26.738 15.384 8.160 1.00 24.19 H new ATOM 0 HE2 HIS B 107 25.381 13.617 8.955 1.00 26.90 H new ATOM 1833 N LYS B 108 21.240 19.126 5.481 1.00 20.65 N ATOM 1834 CA LYS B 108 20.308 19.834 4.602 1.00 23.39 C ATOM 1835 C LYS B 108 20.004 19.060 3.317 1.00 21.97 C ATOM 1836 O LYS B 108 18.929 19.214 2.733 1.00 21.25 O ATOM 1837 CB LYS B 108 20.842 21.245 4.273 1.00 26.35 C ATOM 1838 CG LYS B 108 19.830 22.158 3.540 1.00 32.81 C ATOM 1839 CD LYS B 108 20.229 23.654 3.589 1.00 37.37 C ATOM 1840 CE LYS B 108 19.077 24.582 3.129 1.00 38.12 C ATOM 1841 NZ LYS B 108 19.082 25.937 3.794 1.00 35.52 N ATOM 0 H LYS B 108 21.960 19.563 5.653 1.00 20.65 H new ATOM 0 HA LYS B 108 19.471 19.915 5.085 1.00 23.39 H new ATOM 0 HB2 LYS B 108 21.112 21.677 5.098 1.00 26.35 H new ATOM 0 HB3 LYS B 108 21.638 21.158 3.725 1.00 26.35 H new ATOM 0 HG2 LYS B 108 19.758 21.877 2.615 1.00 32.81 H new ATOM 0 HG3 LYS B 108 18.953 22.048 3.939 1.00 32.81 H new ATOM 0 HD2 LYS B 108 20.489 23.888 4.494 1.00 37.37 H new ATOM 0 HD3 LYS B 108 21.004 23.799 3.024 1.00 37.37 H new ATOM 0 HE2 LYS B 108 19.134 24.703 2.168 1.00 38.12 H new ATOM 0 HE3 LYS B 108 18.230 24.146 3.310 1.00 38.12 H new ATOM 0 HZ1 LYS B 108 18.400 26.420 3.489 1.00 35.52 H new ATOM 0 HZ2 LYS B 108 19.003 25.836 4.675 1.00 35.52 H new ATOM 0 HZ3 LYS B 108 19.846 26.355 3.611 1.00 35.52 H new ATOM 1842 N ALA B 109 20.948 18.214 2.903 1.00 22.24 N ATOM 1843 CA ALA B 109 20.823 17.394 1.699 1.00 20.67 C ATOM 1844 C ALA B 109 19.543 16.558 1.754 1.00 21.34 C ATOM 1845 O ALA B 109 18.924 16.244 0.739 1.00 22.94 O ATOM 1846 CB ALA B 109 22.013 16.496 1.603 1.00 20.38 C ATOM 0 H ALA B 109 21.691 18.099 3.321 1.00 22.24 H new ATOM 0 HA ALA B 109 20.779 17.969 0.919 1.00 20.67 H new ATOM 0 HB1 ALA B 109 21.941 15.947 0.807 1.00 20.38 H new ATOM 0 HB2 ALA B 109 22.820 17.032 1.553 1.00 20.38 H new ATOM 0 HB3 ALA B 109 22.052 15.925 2.387 1.00 20.38 H new ATOM 1847 N LEU B 110 19.155 16.221 2.969 1.00 17.31 N ATOM 1848 CA LEU B 110 17.967 15.448 3.231 1.00 16.48 C ATOM 1849 C LEU B 110 16.772 16.083 2.560 1.00 15.64 C ATOM 1850 O LEU B 110 15.898 15.389 2.043 1.00 15.19 O ATOM 1851 CB LEU B 110 17.770 15.405 4.741 1.00 20.86 C ATOM 1852 CG LEU B 110 16.713 14.552 5.420 1.00 20.52 C ATOM 1853 CD1 LEU B 110 15.486 15.381 5.698 1.00 26.11 C ATOM 1854 CD2 LEU B 110 16.428 13.330 4.563 1.00 25.93 C ATOM 0 H LEU B 110 19.587 16.442 3.679 1.00 17.31 H new ATOM 0 HA LEU B 110 18.060 14.549 2.878 1.00 16.48 H new ATOM 0 HB2 LEU B 110 18.622 15.139 5.121 1.00 20.86 H new ATOM 0 HB3 LEU B 110 17.607 16.319 5.022 1.00 20.86 H new ATOM 0 HG LEU B 110 17.031 14.232 6.279 1.00 20.52 H new ATOM 0 HD11 LEU B 110 14.815 14.831 6.131 1.00 26.11 H new ATOM 0 HD12 LEU B 110 15.720 16.122 6.279 1.00 26.11 H new ATOM 0 HD13 LEU B 110 15.132 15.725 4.863 1.00 26.11 H new ATOM 0 HD21 LEU B 110 15.753 12.783 4.994 1.00 25.93 H new ATOM 0 HD22 LEU B 110 16.107 13.613 3.692 1.00 25.93 H new ATOM 0 HD23 LEU B 110 17.242 12.813 4.455 1.00 25.93 H new ATOM 1855 N CYS B 111 16.747 17.408 2.523 1.00 14.70 N ATOM 1856 CA CYS B 111 15.621 18.093 1.926 1.00 17.36 C ATOM 1857 C CYS B 111 15.961 18.989 0.748 1.00 23.68 C ATOM 1858 O CYS B 111 15.409 20.080 0.620 1.00 24.42 O ATOM 1859 CB CYS B 111 14.831 18.855 3.000 1.00 11.14 C ATOM 1860 SG CYS B 111 13.741 17.780 4.016 1.00 13.05 S ATOM 0 H CYS B 111 17.364 17.920 2.834 1.00 14.70 H new ATOM 0 HA CYS B 111 15.066 17.396 1.543 1.00 17.36 H new ATOM 0 HB2 CYS B 111 15.455 19.314 3.584 1.00 11.14 H new ATOM 0 HB3 CYS B 111 14.291 19.536 2.570 1.00 11.14 H new ATOM 1861 N SER B 112 16.853 18.521 -0.124 1.00 30.82 N ATOM 1862 CA SER B 112 17.235 19.283 -1.316 1.00 36.47 C ATOM 1863 C SER B 112 17.123 18.499 -2.632 1.00 36.50 C ATOM 1864 O SER B 112 17.226 19.076 -3.712 1.00 37.15 O ATOM 1865 CB SER B 112 18.630 19.920 -1.150 1.00 42.43 C ATOM 1866 OG SER B 112 19.554 19.049 -0.506 1.00 49.72 O ATOM 0 H SER B 112 17.250 17.762 -0.044 1.00 30.82 H new ATOM 0 HA SER B 112 16.578 19.993 -1.390 1.00 36.47 H new ATOM 0 HB2 SER B 112 18.976 20.166 -2.022 1.00 42.43 H new ATOM 0 HB3 SER B 112 18.549 20.739 -0.636 1.00 42.43 H new ATOM 0 HG SER B 112 20.338 19.282 -0.696 1.00 49.72 H new ATOM 1867 N GLU B 113 16.870 17.193 -2.535 1.00 37.31 N ATOM 1868 CA GLU B 113 16.710 16.330 -3.710 1.00 35.70 C ATOM 1869 C GLU B 113 15.237 16.157 -4.089 1.00 33.13 C ATOM 1870 O GLU B 113 14.393 15.883 -3.245 1.00 32.64 O ATOM 1871 CB GLU B 113 17.319 14.942 -3.465 1.00 39.24 C ATOM 1872 CG GLU B 113 18.845 14.899 -3.438 1.00 45.51 C ATOM 1873 CD GLU B 113 19.416 13.539 -3.025 1.00 47.70 C ATOM 1874 OE1 GLU B 113 18.633 12.598 -2.775 1.00 49.52 O ATOM 1875 OE2 GLU B 113 20.659 13.412 -2.949 1.00 49.05 O ATOM 0 H GLU B 113 16.786 16.781 -1.785 1.00 37.31 H new ATOM 0 HA GLU B 113 17.177 16.768 -4.439 1.00 35.70 H new ATOM 0 HB2 GLU B 113 16.985 14.602 -2.620 1.00 39.24 H new ATOM 0 HB3 GLU B 113 17.005 14.340 -4.157 1.00 39.24 H new ATOM 0 HG2 GLU B 113 19.183 15.129 -4.318 1.00 45.51 H new ATOM 0 HG3 GLU B 113 19.169 15.577 -2.824 1.00 45.51 H new ATOM 1876 N LYS B 114 14.942 16.297 -5.371 1.00 29.29 N ATOM 1877 CA LYS B 114 13.587 16.142 -5.862 1.00 28.61 C ATOM 1878 C LYS B 114 12.592 16.978 -5.072 1.00 25.56 C ATOM 1879 O LYS B 114 11.545 16.463 -4.714 1.00 26.57 O ATOM 1880 CB LYS B 114 13.162 14.664 -5.777 1.00 33.02 C ATOM 1881 CG LYS B 114 14.058 13.695 -6.531 1.00 36.49 C ATOM 1882 CD LYS B 114 13.998 13.974 -8.009 1.00 42.95 C ATOM 1883 CE LYS B 114 12.724 13.431 -8.634 1.00 43.70 C ATOM 1884 NZ LYS B 114 12.943 11.989 -8.918 1.00 51.89 N ATOM 0 H LYS B 114 15.521 16.484 -5.979 1.00 29.29 H new ATOM 0 HA LYS B 114 13.582 16.447 -6.783 1.00 28.61 H new ATOM 0 HB2 LYS B 114 13.137 14.401 -4.844 1.00 33.02 H new ATOM 0 HB3 LYS B 114 12.258 14.581 -6.119 1.00 33.02 H new ATOM 0 HG2 LYS B 114 14.972 13.777 -6.216 1.00 36.49 H new ATOM 0 HG3 LYS B 114 13.779 12.783 -6.356 1.00 36.49 H new ATOM 0 HD2 LYS B 114 14.050 14.931 -8.160 1.00 42.95 H new ATOM 0 HD3 LYS B 114 14.768 13.576 -8.445 1.00 42.95 H new ATOM 0 HE2 LYS B 114 11.972 13.550 -8.033 1.00 43.70 H new ATOM 0 HE3 LYS B 114 12.513 13.911 -9.450 1.00 43.70 H new ATOM 0 HZ1 LYS B 114 12.210 11.644 -9.286 1.00 51.89 H new ATOM 0 HZ2 LYS B 114 13.628 11.897 -9.479 1.00 51.89 H new ATOM 0 HZ3 LYS B 114 13.123 11.561 -8.159 1.00 51.89 H new ATOM 1885 N LEU B 115 12.862 18.268 -4.871 1.00 21.83 N ATOM 1886 CA LEU B 115 11.954 19.122 -4.098 1.00 16.69 C ATOM 1887 C LEU B 115 10.553 19.217 -4.641 1.00 15.08 C ATOM 1888 O LEU B 115 9.625 19.577 -3.928 1.00 16.13 O ATOM 1889 CB LEU B 115 12.509 20.525 -3.929 1.00 18.23 C ATOM 1890 CG LEU B 115 13.633 20.692 -2.912 1.00 21.10 C ATOM 1891 CD1 LEU B 115 13.967 22.163 -2.894 1.00 21.37 C ATOM 1892 CD2 LEU B 115 13.246 20.193 -1.502 1.00 18.90 C ATOM 0 H LEU B 115 13.562 18.668 -5.171 1.00 21.83 H new ATOM 0 HA LEU B 115 11.894 18.674 -3.240 1.00 16.69 H new ATOM 0 HB2 LEU B 115 12.832 20.830 -4.791 1.00 18.23 H new ATOM 0 HB3 LEU B 115 11.780 21.112 -3.675 1.00 18.23 H new ATOM 0 HG LEU B 115 14.396 20.151 -3.169 1.00 21.10 H new ATOM 0 HD11 LEU B 115 14.682 22.325 -2.258 1.00 21.37 H new ATOM 0 HD12 LEU B 115 14.252 22.441 -3.778 1.00 21.37 H new ATOM 0 HD13 LEU B 115 13.182 22.670 -2.633 1.00 21.37 H new ATOM 0 HD21 LEU B 115 13.993 20.322 -0.897 1.00 18.90 H new ATOM 0 HD22 LEU B 115 12.480 20.693 -1.180 1.00 18.90 H new ATOM 0 HD23 LEU B 115 13.022 19.250 -1.542 1.00 18.90 H new ATOM 1893 N ASP B 116 10.402 18.917 -5.916 1.00 14.41 N ATOM 1894 CA ASP B 116 9.095 18.931 -6.569 1.00 17.08 C ATOM 1895 C ASP B 116 8.127 17.854 -6.051 1.00 17.73 C ATOM 1896 O ASP B 116 6.945 17.854 -6.406 1.00 18.50 O ATOM 1897 CB ASP B 116 9.289 18.751 -8.070 1.00 21.21 C ATOM 1898 CG ASP B 116 10.375 17.723 -8.390 1.00 26.79 C ATOM 1899 OD1 ASP B 116 11.580 18.081 -8.345 1.00 25.82 O ATOM 1900 OD2 ASP B 116 10.022 16.551 -8.649 1.00 28.98 O ATOM 0 H ASP B 116 11.052 18.698 -6.435 1.00 14.41 H new ATOM 0 HA ASP B 116 8.689 19.787 -6.361 1.00 17.08 H new ATOM 0 HB2 ASP B 116 8.452 18.471 -8.472 1.00 21.21 H new ATOM 0 HB3 ASP B 116 9.524 19.603 -8.469 1.00 21.21 H new ATOM 1901 N GLN B 117 8.629 16.929 -5.228 1.00 17.98 N ATOM 1902 CA GLN B 117 7.810 15.845 -4.667 1.00 15.81 C ATOM 1903 C GLN B 117 6.999 16.363 -3.486 1.00 17.94 C ATOM 1904 O GLN B 117 5.939 15.828 -3.133 1.00 17.02 O ATOM 1905 CB GLN B 117 8.703 14.682 -4.225 1.00 13.76 C ATOM 1906 CG GLN B 117 9.707 15.029 -3.142 1.00 9.55 C ATOM 1907 CD GLN B 117 10.604 13.862 -2.781 1.00 8.33 C ATOM 1908 OE1 GLN B 117 10.127 12.759 -2.536 1.00 10.49 O ATOM 1909 NE2 GLN B 117 11.906 14.089 -2.766 1.00 4.18 N ATOM 0 H GLN B 117 9.452 16.911 -4.979 1.00 17.98 H new ATOM 0 HA GLN B 117 7.201 15.526 -5.351 1.00 15.81 H new ATOM 0 HB2 GLN B 117 8.139 13.960 -3.907 1.00 13.76 H new ATOM 0 HB3 GLN B 117 9.183 14.347 -4.998 1.00 13.76 H new ATOM 0 HG2 GLN B 117 10.254 15.773 -3.440 1.00 9.55 H new ATOM 0 HG3 GLN B 117 9.233 15.325 -2.349 1.00 9.55 H new ATOM 0 HE21 GLN B 117 12.208 14.875 -2.943 1.00 4.18 H new ATOM 0 HE22 GLN B 117 12.452 13.451 -2.580 1.00 4.18 H new ATOM 1910 N TRP B 118 7.510 17.440 -2.898 1.00 19.09 N ATOM 1911 CA TRP B 118 6.882 18.080 -1.763 1.00 15.59 C ATOM 1912 C TRP B 118 5.908 19.186 -2.195 1.00 19.80 C ATOM 1913 O TRP B 118 5.320 19.884 -1.355 1.00 19.83 O ATOM 1914 CB TRP B 118 7.966 18.634 -0.866 1.00 9.59 C ATOM 1915 CG TRP B 118 8.970 17.623 -0.502 1.00 6.57 C ATOM 1916 CD1 TRP B 118 10.232 17.543 -0.970 1.00 6.74 C ATOM 1917 CD2 TRP B 118 8.807 16.539 0.426 1.00 7.64 C ATOM 1918 NE1 TRP B 118 10.882 16.479 -0.397 1.00 14.13 N ATOM 1919 CE2 TRP B 118 10.025 15.841 0.463 1.00 7.87 C ATOM 1920 CE3 TRP B 118 7.745 16.089 1.222 1.00 7.85 C ATOM 1921 CZ2 TRP B 118 10.221 14.708 1.262 1.00 6.17 C ATOM 1922 CZ3 TRP B 118 7.941 14.952 2.018 1.00 7.32 C ATOM 1923 CH2 TRP B 118 9.166 14.280 2.027 1.00 4.24 C ATOM 0 H TRP B 118 8.238 17.819 -3.154 1.00 19.09 H new ATOM 0 HA TRP B 118 6.355 17.423 -1.281 1.00 15.59 H new ATOM 0 HB2 TRP B 118 8.405 19.374 -1.314 1.00 9.59 H new ATOM 0 HB3 TRP B 118 7.563 18.990 -0.059 1.00 9.59 H new ATOM 0 HD1 TRP B 118 10.607 18.125 -1.591 1.00 6.74 H new ATOM 0 HE1 TRP B 118 11.696 16.249 -0.552 1.00 14.13 H new ATOM 0 HE3 TRP B 118 6.929 16.535 1.222 1.00 7.85 H new ATOM 0 HZ2 TRP B 118 11.037 14.262 1.274 1.00 6.17 H new ATOM 0 HZ3 TRP B 118 7.244 14.640 2.549 1.00 7.32 H new ATOM 0 HH2 TRP B 118 9.268 13.527 2.563 1.00 4.24 H new ATOM 1924 N LEU B 119 5.733 19.330 -3.507 1.00 21.69 N ATOM 1925 CA LEU B 119 4.819 20.316 -4.063 1.00 23.27 C ATOM 1926 C LEU B 119 3.427 19.737 -4.119 1.00 27.57 C ATOM 1927 O LEU B 119 3.254 18.532 -4.278 1.00 28.93 O ATOM 1928 CB LEU B 119 5.244 20.717 -5.468 1.00 17.76 C ATOM 1929 CG LEU B 119 6.414 21.674 -5.456 1.00 16.47 C ATOM 1930 CD1 LEU B 119 7.047 21.749 -6.827 1.00 21.12 C ATOM 1931 CD2 LEU B 119 5.910 23.010 -5.009 1.00 15.63 C ATOM 0 H LEU B 119 6.142 18.857 -4.097 1.00 21.69 H new ATOM 0 HA LEU B 119 4.834 21.101 -3.494 1.00 23.27 H new ATOM 0 HB2 LEU B 119 5.482 19.923 -5.972 1.00 17.76 H new ATOM 0 HB3 LEU B 119 4.495 21.129 -5.926 1.00 17.76 H new ATOM 0 HG LEU B 119 7.101 21.367 -4.844 1.00 16.47 H new ATOM 0 HD11 LEU B 119 7.795 22.366 -6.805 1.00 21.12 H new ATOM 0 HD12 LEU B 119 7.361 20.869 -7.087 1.00 21.12 H new ATOM 0 HD13 LEU B 119 6.391 22.060 -7.470 1.00 21.12 H new ATOM 0 HD21 LEU B 119 6.644 23.644 -4.993 1.00 15.63 H new ATOM 0 HD22 LEU B 119 5.228 23.321 -5.624 1.00 15.63 H new ATOM 0 HD23 LEU B 119 5.531 22.932 -4.120 1.00 15.63 H new ATOM 1932 N CYS B 120 2.441 20.604 -3.937 1.00 34.13 N ATOM 1933 CA CYS B 120 1.043 20.211 -3.985 1.00 39.32 C ATOM 1934 C CYS B 120 0.408 20.933 -5.188 1.00 44.86 C ATOM 1935 O CYS B 120 0.423 22.197 -5.200 1.00 47.81 O ATOM 1936 CB CYS B 120 0.340 20.603 -2.680 1.00 36.73 C ATOM 1937 SG CYS B 120 -1.470 20.398 -2.744 1.00 38.98 S ATOM 0 H CYS B 120 2.565 21.441 -3.781 1.00 34.13 H new ATOM 0 HA CYS B 120 0.955 19.250 -4.084 1.00 39.32 H new ATOM 0 HB2 CYS B 120 0.694 20.065 -1.955 1.00 36.73 H new ATOM 0 HB3 CYS B 120 0.547 21.528 -2.474 1.00 36.73 H new TER 1938 CYS B 120 HETATM 1939 CA CA A 124 1.966 -4.301 2.075 1.00 17.53 CA HETATM 1940 CA CA B 124 -0.581 26.785 17.724 1.00 18.93 CA HETATM 1941 O HOH A 125 -7.525 4.840 17.816 1.00 27.56 O HETATM 1942 O HOH A 126 -2.073 -7.336 14.525 1.00 18.92 O HETATM 1943 O HOH A 127 -3.602 -7.354 11.433 1.00 43.23 O HETATM 1944 O HOH A 128 1.858 -7.970 13.125 1.00 13.37 O HETATM 1945 O HOH A 129 17.950 -2.792 21.549 1.00 26.84 O HETATM 1946 O HOH A 130 13.852 11.509 10.864 1.00 44.81 O HETATM 1947 O HOH A 131 2.709 9.369 18.174 1.00 19.23 O HETATM 1948 O HOH A 132 7.295 -0.488 4.148 1.00 4.23 O HETATM 1949 O HOH A 133 3.606 0.428 4.061 1.00 6.50 O HETATM 1950 O HOH A 134 -1.082 9.091 17.604 1.00 47.92 O HETATM 1951 O HOH A 135 -4.980 -4.137 13.719 1.00 27.18 O HETATM 1952 O HOH A 136 -7.621 -4.859 15.647 1.00 65.05 O HETATM 1953 O HOH A 137 -2.184 7.723 2.921 1.00 43.30 O HETATM 1954 O HOH A 138 17.906 3.611 2.637 1.00 41.04 O HETATM 1955 O HOH A 139 20.699 -0.743 2.855 1.00 19.49 O HETATM 1956 O HOH A 140 11.161 -15.767 -1.696 1.00 56.67 O HETATM 1957 O HOH A 141 8.643 -15.828 -6.574 1.00 55.47 O HETATM 1958 O HOH A 142 6.867 -15.891 -2.980 1.00 70.78 O HETATM 1959 O HOH A 143 -6.715 -2.409 5.609 1.00 42.56 O HETATM 1960 O HOH A 144 -4.566 0.620 27.125 1.00 46.54 O HETATM 1961 O HOH A 145 -7.014 -2.376 26.558 1.00 63.15 O HETATM 1962 O HOH A 146 -7.859 -0.038 29.287 1.00 78.22 O HETATM 1963 O HOH A 147 -10.288 1.928 27.789 1.00 64.25 O HETATM 1964 O HOH A 148 -3.399 -2.653 26.041 1.00 65.15 O HETATM 1965 O HOH A 149 18.122 8.790 8.857 1.00 47.82 O HETATM 1966 O HOH A 150 17.282 9.007 4.980 1.00 66.20 O HETATM 1967 O HOH A 151 19.682 4.569 5.225 1.00 61.47 O HETATM 1968 O HOH A 152 20.216 7.242 5.244 1.00 37.84 O HETATM 1969 O HOH A 153 11.850 6.606 22.216 1.00 30.22 O HETATM 1970 O HOH A 154 4.315 10.460 -0.776 1.00 32.46 O HETATM 1971 O HOH A 155 2.405 -14.450 15.710 1.00 63.80 O HETATM 1972 O HOH A 156 18.408 7.150 1.184 1.00 30.00 O HETATM 1973 O HOH A 157 20.846 -3.756 15.664 1.00 31.41 O HETATM 1974 O HOH A 158 5.547 -8.721 -6.435 1.00 42.64 O HETATM 1975 O HOH B 125 1.875 11.271 12.357 1.00 11.44 O HETATM 1976 O HOH B 126 -0.087 13.064 2.153 1.00 43.27 O HETATM 1977 O HOH B 127 -1.423 28.572 9.209 1.00 24.00 O HETATM 1978 O HOH B 128 -1.197 31.450 9.963 1.00 29.42 O HETATM 1979 O HOH B 129 8.864 28.345 -2.851 1.00 15.76 O HETATM 1980 O HOH B 130 13.781 13.447 2.142 1.00 24.10 O HETATM 1981 O HOH B 131 5.135 22.997 16.828 1.00 22.73 O HETATM 1982 O HOH B 132 5.635 32.144 19.413 1.00 16.39 O HETATM 1983 O HOH B 133 2.656 33.525 11.705 1.00 36.32 O HETATM 1984 O HOH B 134 9.107 35.653 14.606 1.00 18.51 O HETATM 1985 O HOH B 135 17.397 14.982 9.861 1.00 26.83 O HETATM 1986 O HOH B 136 18.259 26.917 0.795 1.00 48.77 O HETATM 1987 O HOH B 137 13.974 16.020 -0.605 1.00 9.42 O HETATM 1988 O HOH B 138 5.598 13.415 -1.008 1.00 23.70 O HETATM 1989 O HOH B 139 -8.415 20.946 6.175 1.00 57.28 O HETATM 1990 O HOH B 140 11.310 12.332 12.882 1.00 35.32 O HETATM 1991 O HOH B 141 11.102 14.354 16.518 1.00 29.71 O HETATM 1992 O HOH B 142 -1.103 14.142 21.876 1.00 53.85 O HETATM 1993 O HOH B 143 -3.474 12.855 18.695 1.00 64.59 O HETATM 1994 O HOH B 144 -6.429 13.712 20.985 1.00 63.26 O HETATM 1995 O HOH B 145 17.792 24.196 20.782 1.00 21.84 O HETATM 1996 O HOH B 146 -0.024 32.396 21.460 1.00 52.44 O HETATM 1997 O HOH B 147 3.987 37.220 7.610 1.00 41.13 O HETATM 1998 O HOH B 148 22.226 21.224 -0.121 1.00 31.27 O HETATM 1999 O HOH B 149 -2.384 23.888 -5.324 1.00 43.23 O HETATM 2000 O HOH B 150 -3.810 21.345 -6.345 1.00 42.05 O HETATM 2001 O HOH B 151 -0.943 22.761 -8.656 1.00 40.89 O HETATM 2002 O HOH B 152 1.934 25.807 -9.649 1.00 51.37 O HETATM 2003 O HOH B 153 -5.235 17.936 -6.965 1.00 58.59 O HETATM 2004 O HOH B 154 -5.888 17.174 -11.474 1.00 36.33 O HETATM 2005 O HOH B 155 4.062 13.272 2.050 1.00 28.58 O HETATM 2006 O HOH B 156 15.450 19.806 19.748 1.00 25.37 O HETATM 2007 O HOH B 157 6.775 31.120 -6.453 1.00 61.19 O HETATM 2008 O HOH B 158 2.617 23.942 28.135 1.00 26.59 O CONECT 48 968 CONECT 227 891 CONECT 493 619 CONECT 591 731 CONECT 619 493 CONECT 631 1939 CONECT 662 1939 CONECT 675 1939 CONECT 701 1939 CONECT 709 1939 CONECT 731 591 CONECT 891 227 CONECT 968 48 CONECT 1017 1937 CONECT 1196 1860 CONECT 1462 1588 CONECT 1560 1700 CONECT 1588 1462 CONECT 1600 1940 CONECT 1631 1940 CONECT 1644 1940 CONECT 1670 1940 CONECT 1678 1940 CONECT 1700 1560 CONECT 1860 1196 CONECT 1937 1017 CONECT 1939 631 662 675 701 CONECT 1939 709 CONECT 1940 1600 1631 1644 1670 CONECT 1940 1678 END