USER MOD reduceV2.13.2 H: found=0, std=0, add=1588, rem=0, adj=49 HEADER OXIDOREDUCTASE 02-AUG-04 1U70 TITLE UNDERSTANDING THE ROLE OF LEU22 VARIANTS IN METHOTREXATE TITLE 2 RESISTANCE: COMPARISON OF WILD-TYPE AND LEU22ARG VARIANT TITLE 3 MOUSE AND HUMAN DIHYDROFOLATE REDUCTASE COMPND MOL_ID: 1; COMPND 2 MOLECULE: DIHYDROFOLATE REDUCTASE; COMPND 3 CHAIN: A; COMPND 4 FRAGMENT: MOUSE DHFR; COMPND 5 EC: 1.5.1.3; COMPND 6 ENGINEERED: YES; COMPND 7 MUTATION: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS; SOURCE 3 ORGANISM_COMMON: MOUSE; SOURCE 4 GENE: DHFR; SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 6 EXPRESSION_SYSTEM_COMMON: BACTERIA KEYWDS VARIANT DHFR MOUSE, HUMAN EXPDTA X-RAY DIFFRACTION AUTHOR V.CODY REVDAT 1 01-FEB-05 JRNL AUTH V.CODY,J.R.LUFT,W.PANGBORN JRNL TITL UNDERSTANDING THE ROLE OF LEU22 VARIANTS IN JRNL TITL 2 METHOTREXATE RESISTANCE: COMPARISON OF WILD-TYPE JRNL TITL 3 AND LEU22ARG VARIANT MOUSE AND HUMAN DIHYDROFOLATE JRNL TITL 4 REDUCTASE TERNARY CRYSTAL COMPLEXES WITH JRNL TITL 5 METHOTREXATE AND NADPH JRNL REF ACTA CRYSTALLOGR., SECT.D V. 61 147 2005 JRNL REFN ASTM ABCRE6 DK ISSN 0907-4449 REMARK 1 REMARK 2 REMARK 2 RESOLUTION. 2.50 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : PROFFT REMARK 3 AUTHORS : KONNERT,HENDRICKSON,FINZEL REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 2.50 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 50.00 REMARK 3 DATA CUTOFF (SIGMA(F)) : 2.000 REMARK 3 COMPLETENESS FOR RANGE (%) : NULL REMARK 3 NUMBER OF REFLECTIONS : 6792 REMARK 3 REMARK 3 FIT TO DATA USED IN REFINEMENT. REMARK 3 CROSS-VALIDATION METHOD : NULL REMARK 3 FREE R VALUE TEST SET SELECTION : TWO SIGMA CUTOFF REMARK 3 R VALUE (WORKING + TEST SET) : 0.225 REMARK 3 R VALUE (WORKING SET) : 0.183 REMARK 3 FREE R VALUE : 0.225 REMARK 3 FREE R VALUE TEST SET SIZE (%) : NULL REMARK 3 FREE R VALUE TEST SET COUNT : 217 REMARK 3 REMARK 3 FIT/AGREEMENT OF MODEL WITH ALL DATA. REMARK 3 R VALUE (WORKING + TEST SET, NO CUTOFF) : NULL REMARK 3 R VALUE (WORKING SET, NO CUTOFF) : NULL REMARK 3 FREE R VALUE (NO CUTOFF) : NULL REMARK 3 FREE R VALUE TEST SET SIZE (%, NO CUTOFF) : NULL REMARK 3 FREE R VALUE TEST SET COUNT (NO CUTOFF) : NULL REMARK 3 TOTAL NUMBER OF REFLECTIONS (NO CUTOFF) : 6963 REMARK 3 REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. REMARK 3 PROTEIN ATOMS : 1516 REMARK 3 NUCLEIC ACID ATOMS : 0 REMARK 3 HETEROGEN ATOMS : 81 REMARK 3 SOLVENT ATOMS : 27 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : NULL REMARK 3 MEAN B VALUE (OVERALL, A**2) : 39.60 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) : NULL REMARK 3 LOW RESOLUTION CUTOFF (A) : NULL REMARK 3 REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES. REMARK 3 DISTANCE RESTRAINTS. RMS SIGMA REMARK 3 BOND LENGTH (A) : 0.017 ; NULL REMARK 3 ANGLE DISTANCE (A) : 0.064 ; NULL REMARK 3 INTRAPLANAR 1-4 DISTANCE (A) : NULL ; NULL REMARK 3 H-BOND OR METAL COORDINATION (A) : NULL ; NULL REMARK 3 REMARK 3 PLANE RESTRAINT (A) : NULL ; NULL REMARK 3 CHIRAL-CENTER RESTRAINT (A**3) : NULL ; NULL REMARK 3 REMARK 3 NON-BONDED CONTACT RESTRAINTS. REMARK 3 SINGLE TORSION (A) : NULL ; NULL REMARK 3 MULTIPLE TORSION (A) : NULL ; NULL REMARK 3 H-BOND (X...Y) (A) : NULL ; NULL REMARK 3 H-BOND (X-H...Y) (A) : NULL ; NULL REMARK 3 REMARK 3 CONFORMATIONAL TORSION ANGLE RESTRAINTS. REMARK 3 SPECIFIED (DEGREES) : NULL ; NULL REMARK 3 PLANAR (DEGREES) : NULL ; NULL REMARK 3 STAGGERED (DEGREES) : NULL ; NULL REMARK 3 TRANSVERSE (DEGREES) : NULL ; NULL REMARK 3 REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS. RMS SIGMA REMARK 3 MAIN-CHAIN BOND (A**2) : 0.247 ; NULL REMARK 3 MAIN-CHAIN ANGLE (A**2) : 0.069 ; NULL REMARK 3 SIDE-CHAIN BOND (A**2) : NULL ; NULL REMARK 3 SIDE-CHAIN ANGLE (A**2) : NULL ; NULL REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 1U70 COMPLIES WITH FORMAT V. 2.3, 09-JULY-1998 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 03-AUG-2004. REMARK 100 THE RCSB ID CODE IS RCSB023324. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : 25-JUN-1997 REMARK 200 TEMPERATURE (KELVIN) : 298.0 REMARK 200 PH : 7.5; 7.0 REMARK 200 NUMBER OF CRYSTALS USED : 1 REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : N REMARK 200 RADIATION SOURCE : ROTATING ANODE REMARK 200 BEAMLINE : NULL REMARK 200 X-RAY GENERATOR MODEL : RIGAKU RU300 REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M REMARK 200 WAVELENGTH OR RANGE (A) : 1.5415 REMARK 200 MONOCHROMATOR : GRAPHITE REMARK 200 OPTICS : MIRRORS REMARK 200 REMARK 200 DETECTOR TYPE : AREA DETECTOR REMARK 200 DETECTOR MANUFACTURER : RIGAKU RAXIS IIC REMARK 200 INTENSITY-INTEGRATION SOFTWARE : DENZO REMARK 200 DATA SCALING SOFTWARE : SCALEPACK REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 6792 REMARK 200 RESOLUTION RANGE HIGH (A) : 2.500 REMARK 200 RESOLUTION RANGE LOW (A) : 50.000 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : 2.000 REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : NULL REMARK 200 DATA REDUNDANCY : NULL REMARK 200 R MERGE (I) : 0.05500 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) : 2.50 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 2.56 REMARK 200 COMPLETENESS FOR SHELL (%) : 96.1 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: SINGLE WAVELENGTH REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT REMARK 200 SOFTWARE USED: PROTEIN REMARK 200 STARTING MODEL: NULL REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): NULL REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): NULL REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: 20% PEG 4K 0.1 M HEPES, PH 7.5, REMARK 280 VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 230K. 62% AS, 0.1M REMARK 280 PHOSPHATE , PH 7.0, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE REMARK 280 230K 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,1/2+Y,-Z REMARK 290 REMARK 290 WHERE NNN -> OPERATOR NUMBER REMARK 290 MMM -> TRANSLATION VECTOR REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS 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 30.76800 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 THIS ENTRY CONTAINS THE CRYSTALLOGRAPHIC ASYMMETRIC UNIT REMARK 300 WHICH CONSISTS OF 1 CHAIN(S). SEE REMARK 350 FOR REMARK 300 INFORMATION ON GENERATING THE BIOLOGICAL MOLECULE(S). REMARK 350 REMARK 350 GENERATING THE BIOMOLECULE 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 APPLY THE FOLLOWING TO CHAINS: A 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 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: CLOSE CONTACTS REMARK 500 REMARK 500 THE FOLLOWING ATOMS THAT ARE RELATED BY CRYSTALLOGRAPHIC REMARK 500 SYMMETRY ARE IN CLOSE CONTACT. AN ATOM LOCATED WITHIN 0.15 REMARK 500 ANGSTROMS OF A SYMMETRY RELATED ATOM IS ASSUMED TO BE ON A REMARK 500 SPECIAL POSITION AND IS, THEREFORE, LISTED IN REMARK 375 REMARK 500 INSTEAD OF REMARK 500. ATOMS WITH NON-BLANK ALTERNATE REMARK 500 LOCATION INDICATORS ARE NOT INCLUDED IN THE CALCULATIONS. REMARK 500 REMARK 500 DISTANCE CUTOFF: REMARK 500 2.2 ANGSTROMS FOR CONTACTS NOT INVOLVING HYDROGEN ATOMS REMARK 500 1.6 ANGSTROMS FOR CONTACTS INVOLVING HYDROGEN ATOMS REMARK 500 REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI SSYMOP DISTANCE REMARK 500 NH2 ARG A 28 NH1 ARG A 54 2556 2.11 REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: COVALENT BOND LENGTHS REMARK 500 REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT: (10X,I3,1X,2(A3,1X,A1,I4,A1,1X,A4,3X),F6.3) REMARK 500 REMARK 500 EXPECTED VALUES: ENGH AND HUBER, 1991 REMARK 500 REMARK 500 M RES CSSEQI ATM1 RES CSSEQI ATM2 DEVIATION REMARK 500 TRP A 24 CD1 TRP A 24 NE1 0.055 REMARK 500 TRP A 24 NE1 TRP A 24 CE2 -0.057 REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: COVALENT BOND ANGLES REMARK 500 REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1) REMARK 500 REMARK 500 EXPECTED VALUES: ENGH AND HUBER, 1991 REMARK 500 REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3 REMARK 500 ALA A 9 N - CA - C ANGL. DEV. = -9.8 DEGREES REMARK 500 LEU A 89 CA - CB - CG ANGL. DEV. = 10.1 DEGREES REMARK 500 ILE A 114 N - CA - C ANGL. DEV. =-12.1 DEGREES REMARK 500 THR A 136 N - CA - C ANGL. DEV. = -9.0 DEGREES DBREF 1U70 A 1 186 SWS P00375 DYR_MOUSE 1 186 SEQADV 1U70 ARG A 22 SWS P00375 LEU 22 ENGINEERED SEQRES 1 A 186 VAL ARG PRO LEU ASN CYS ILE VAL ALA VAL SER GLN ASN SEQRES 2 A 186 MET GLY ILE GLY LYS ASN GLY ASP ARG PRO TRP PRO PRO SEQRES 3 A 186 LEU ARG ASN GLU PHE LYS TYR PHE GLN ARG MET THR THR SEQRES 4 A 186 THR SER SER VAL GLU GLY LYS GLN ASN LEU VAL ILE MET SEQRES 5 A 186 GLY ARG LYS THR TRP PHE SER ILE PRO GLU LYS ASN ARG SEQRES 6 A 186 PRO LEU LYS ASP ARG ILE ASN ILE VAL LEU SER ARG GLU SEQRES 7 A 186 LEU LYS GLU PRO PRO ARG GLY ALA HIS PHE LEU ALA LYS SEQRES 8 A 186 SER LEU ASP ASP ALA LEU ARG LEU ILE GLU GLN PRO GLU SEQRES 9 A 186 LEU ALA SER LYS VAL ASP MET VAL TRP ILE VAL GLY GLY SEQRES 10 A 186 SER SER VAL TYR GLN GLU ALA MET ASN GLN PRO GLY HIS SEQRES 11 A 186 LEU ARG LEU PHE VAL THR ARG ILE MET GLN GLU PHE GLU SEQRES 12 A 186 SER ASP THR PHE PHE PRO GLU ILE ASP LEU GLY LYS TYR SEQRES 13 A 186 LYS LEU LEU PRO GLU TYR PRO GLY VAL LEU SER GLU VAL SEQRES 14 A 186 GLN GLU GLU LYS GLY ILE LYS TYR LYS PHE GLU VAL TYR SEQRES 15 A 186 GLU LYS LYS ASP HET MTX 187 33 HET NDP 188 48 HETNAM MTX METHOTREXATE HETNAM NDP NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE HETNAM 2 NDP PHOSPHATE FORMUL 2 MTX C20 H22 N8 O5 FORMUL 3 NDP C21 H30 N7 O17 P3 FORMUL 4 HOH *27(H2 O1) HELIX 1 1 LEU A 27 THR A 40 1 14 HELIX 2 2 ARG A 54 PHE A 58 1 5 HELIX 3 3 SER A 59 ILE A 60 5 2 HELIX 4 4 PRO A 61 ARG A 65 5 5 HELIX 5 5 SER A 92 GLU A 101 1 10 HELIX 6 6 GLN A 102 SER A 107 1 6 HELIX 7 7 GLY A 117 ASN A 126 1 10 SHEET 1 A 8 PHE A 88 ALA A 90 0 SHEET 2 A 8 ARG A 70 LEU A 75 1 N VAL A 74 O ALA A 90 SHEET 3 A 8 GLN A 47 GLY A 53 1 N VAL A 50 O ILE A 71 SHEET 4 A 8 VAL A 109 GLY A 116 1 O MET A 111 N LEU A 49 SHEET 5 A 8 LEU A 4 SER A 11 1 N ASN A 5 O ILE A 114 SHEET 6 A 8 LEU A 131 ILE A 138 1 O PHE A 134 N CYS A 6 SHEET 7 A 8 ILE A 175 LYS A 184 -1 O LYS A 178 N ARG A 137 SHEET 8 A 8 LYS A 157 LEU A 158 -1 N LYS A 157 O GLU A 183 SHEET 1 B 8 PHE A 88 ALA A 90 0 SHEET 2 B 8 ARG A 70 LEU A 75 1 N VAL A 74 O ALA A 90 SHEET 3 B 8 GLN A 47 GLY A 53 1 N VAL A 50 O ILE A 71 SHEET 4 B 8 VAL A 109 GLY A 116 1 O MET A 111 N LEU A 49 SHEET 5 B 8 LEU A 4 SER A 11 1 N ASN A 5 O ILE A 114 SHEET 6 B 8 LEU A 131 ILE A 138 1 O PHE A 134 N CYS A 6 SHEET 7 B 8 ILE A 175 LYS A 184 -1 O LYS A 178 N ARG A 137 SHEET 8 B 8 GLN A 170 GLU A 172 -1 N GLN A 170 O TYR A 177 CISPEP 1 ARG A 65 PRO A 66 0 -0.06 CRYST1 42.016 61.536 43.572 90.00 116.69 90.00 P 1 21 1 2 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 0.023800 0.000000 0.011965 0.00000 SCALE2 0.000000 0.016251 0.000000 0.00000 SCALE3 0.000000 0.000000 0.025688 0.00000 USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: 187 MTX HO2 : 187 MTX O2 : 187 MTX CT :(short bond) USER MOD NoAdj-H: 188 NDPNH3 : 188 NDPNC3 : 188 NDPNC7 :(H bumps) USER MOD Set 1.1:A 125 MET CE :methyl -123:sc= -2.57! (180deg=-4.28!) USER MOD Set 1.2:A 156 TYR OH : rot 30:sc= -0.618 USER MOD Set 2.1:A 118 SER OG : rot -106:sc= 1.7! USER MOD Set 2.2:A 146 THR OG1 : rot 124:sc= 1.55! USER MOD Set 3.1:A 11 SER OG : rot 119:sc= 0.877 USER MOD Set 3.2:A 13 ASN : amide:sc= 0.983 K(o=1.9,f=-3.4!) USER MOD Set 4.1:A 139 MET CE :methyl 135:sc= -1.69 (180deg=-6.38!) USER MOD Set 4.2:A 178 LYS NZ :NH3+ -105:sc= -2.77! (180deg=-6.98!) USER MOD Set 5.1: 188 NDPNO2* : rot 180:sc= 0.0919 USER MOD Set 5.2:A 59 SER OG : rot 76:sc= 1.22 USER MOD Set 6.1: 188 NDPAO2 : rot 0:sc= -8.45! USER MOD Set 6.2:A 56 THR OG1 : rot -130:sc= 0 USER MOD Set 7.1:A 29 ASN : amide:sc= 0.466 K(o=0.85,f=-5.4!) USER MOD Set 7.2:A 32 LYS NZ :NH3+ 175:sc= 0.389 (180deg=0.345) USER MOD Single : 187 MTX OE2 : rot 165:sc= 0 USER MOD Single : 188 NDPAO3* : rot 123:sc= 1.71 USER MOD Single : 188 NDPNO3* : rot 129:sc= 0.0647 USER MOD Single :A 1 VAL N :NH3+ 176:sc= 0.866 (180deg=0.752) USER MOD Single :A 5 ASN : amide:sc= 0.1 K(o=0.1,f=-1.5) USER MOD Single :A 6 CYS SG : rot 180:sc= 0 USER MOD Single :A 12 GLN :FLIP amide:sc= -1.36 F(o=-5.5!,f=-1.4) USER MOD Single :A 14 MET CE :methyl -162:sc= 0 (180deg=-0.0652) USER MOD Single :A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single :A 19 ASN :FLIP amide:sc= -1.92! C(o=-3.2!,f=-1.9!) USER MOD Single :A 33 TYR OH : rot 120:sc= 0 USER MOD Single :A 35 GLN : amide:sc= -0.428 X(o=-0.43,f=0) USER MOD Single :A 37 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single :A 38 THR OG1 : rot -77:sc= 0.51 USER MOD Single :A 39 THR OG1 : rot 90:sc= 0.388 USER MOD Single :A 40 THR OG1 : rot 74:sc= 1.23 USER MOD Single :A 41 SER OG : rot 111:sc= 1.02 USER MOD Single :A 42 SER OG : rot -68:sc= 0.496 USER MOD Single :A 46 LYS NZ :NH3+ -161:sc= 0.425 (180deg=0.263) USER MOD Single :A 47 GLN : amide:sc= 0 X(o=0,f=-0.05) USER MOD Single :A 48 ASN : amide:sc= 0.137 K(o=0.14,f=-6.1!) USER MOD Single :A 52 MET CE :methyl 180:sc= -0.0822 (180deg=-0.0822) USER MOD Single :A 55 LYS NZ :NH3+ -134:sc= 0 (180deg=-0.035) USER MOD Single :A 63 LYS NZ :NH3+ 129:sc= -0.129 (180deg=-0.658) USER MOD Single :A 64 ASN : amide:sc= 0.594 K(o=0.59,f=-1.6!) USER MOD Single :A 68 LYS NZ :NH3+ -118:sc= -5.98! (180deg=-8.17!) USER MOD Single :A 72 ASN : amide:sc= -6.71! C(o=-6.7!,f=-8.5!) USER MOD Single :A 76 SER OG : rot 64:sc= 1.71 USER MOD Single :A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single :A 87 HIS :FLIP no HD1:sc= 0.799 F(o=-9.3!,f=0.8) USER MOD Single :A 91 LYS NZ :NH3+ 165:sc= 0.423 (180deg=0.342) USER MOD Single :A 92 SER OG : rot 180:sc=0.000558 USER MOD Single :A 102 GLN : amide:sc= -0.0282 X(o=-0.028,f=-0.028) USER MOD Single :A 107 SER OG : rot 180:sc= 0 USER MOD Single :A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single :A 111 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single :A 119 SER OG : rot 180:sc= 0.106 USER MOD Single :A 121 TYR OH : rot 166:sc= 1.23 USER MOD Single :A 122 GLN :FLIP amide:sc= -1.28 F(o=-4.9!,f=-1.3) USER MOD Single :A 126 ASN : amide:sc= 0 K(o=0,f=-0.75) USER MOD Single :A 127 GLN :FLIP amide:sc= -1.16 F(o=-2.4!,f=-1.2) USER MOD Single :A 130 HIS :FLIP no HD1:sc= -2.04 F(o=-4.1,f=-2) USER MOD Single :A 136 THR OG1 : rot 176:sc= 1.05 USER MOD Single :A 140 GLN : amide:sc= 0 X(o=0,f=-0.041) USER MOD Single :A 144 SER OG : rot 80:sc= -0.771 USER MOD Single :A 155 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single :A 157 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single :A 162 TYR OH : rot 180:sc= -0.0125 USER MOD Single :A 167 SER OG : rot 180:sc= 0.00616 USER MOD Single :A 170 GLN :FLIP amide:sc= -0.584 F(o=-3.2!,f=-0.58) USER MOD Single :A 173 LYS NZ :NH3+ -134:sc= 0.547 (180deg=-0.394) USER MOD Single :A 176 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single :A 177 TYR OH : rot 180:sc= -0.0167 USER MOD Single :A 182 TYR OH : rot 1:sc= 1.22 USER MOD Single :A 184 LYS NZ :NH3+ -115:sc= 0.0372 (180deg=-0.0313) USER MOD Single :A 185 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 7.192 -2.299 -2.887 1.00 67.53 N ATOM 2 CA VAL A 1 6.833 -3.744 -2.930 1.00 67.38 C ATOM 3 C VAL A 1 8.032 -4.597 -2.509 1.00 67.24 C ATOM 4 O VAL A 1 7.930 -5.820 -2.398 1.00 67.94 O ATOM 5 CB VAL A 1 6.376 -4.153 -4.355 1.00 67.83 C ATOM 6 CG1 VAL A 1 7.508 -3.938 -5.344 1.00 69.23 C ATOM 7 CG2 VAL A 1 5.911 -5.599 -4.367 1.00 67.43 C ATOM 8 1H VAL A 1 6.425 -1.754 -3.225 1.00 67.53 H + new ATOM 9 2H VAL A 1 7.398 -2.034 -1.945 1.00 67.53 H + new ATOM 10 3H VAL A 1 7.994 -2.137 -3.462 1.00 67.53 H + new ATOM 11 HA VAL A 1 6.002 -3.914 -2.230 1.00 67.38 H new ATOM 12 HB VAL A 1 5.527 -3.521 -4.655 1.00 67.83 H new ATOM 13 1HG1 VAL A 1 7.176 -4.230 -6.351 1.00 69.23 H new ATOM 14 2HG1 VAL A 1 7.796 -2.876 -5.347 1.00 69.23 H new ATOM 15 3HG1 VAL A 1 8.373 -4.551 -5.051 1.00 69.23 H new ATOM 16 1HG2 VAL A 1 5.591 -5.873 -5.383 1.00 67.43 H new ATOM 17 2HG2 VAL A 1 6.738 -6.253 -4.055 1.00 67.43 H new ATOM 18 3HG2 VAL A 1 5.067 -5.719 -3.672 1.00 67.43 H new ATOM 19 N ARG A 2 9.164 -3.935 -2.271 1.00 66.66 N ATOM 20 CA ARG A 2 10.406 -4.595 -1.856 1.00 64.48 C ATOM 21 C ARG A 2 10.768 -4.134 -0.433 1.00 59.40 C ATOM 22 O ARG A 2 10.996 -4.965 0.451 1.00 58.10 O ATOM 23 CB ARG A 2 11.526 -4.258 -2.853 1.00 70.33 C ATOM 24 CG ARG A 2 12.845 -4.990 -2.648 1.00 77.83 C ATOM 25 CD ARG A 2 13.773 -4.717 -3.832 1.00 84.40 C ATOM 26 NE ARG A 2 15.082 -5.362 -3.705 1.00 90.52 N ATOM 27 CZ ARG A 2 16.025 -5.344 -4.650 1.00 92.98 C ATOM 28 NH1 ARG A 2 17.186 -5.956 -4.445 1.00 93.66 N ATOM 29 NH2 ARG A 2 15.810 -4.721 -5.805 1.00 93.72 N ATOM 30 H ARG A 2 9.246 -2.942 -2.359 1.00 66.66 H new ATOM 31 HA ARG A 2 10.274 -5.687 -1.848 1.00 64.48 H new ATOM 32 1HB ARG A 2 11.163 -4.475 -3.868 1.00 70.33 H new ATOM 33 2HB ARG A 2 11.719 -3.176 -2.805 1.00 70.33 H new ATOM 34 1HG ARG A 2 13.319 -4.658 -1.713 1.00 77.83 H new ATOM 35 2HG ARG A 2 12.665 -6.071 -2.551 1.00 77.83 H new ATOM 36 1HD ARG A 2 13.289 -5.066 -4.756 1.00 84.40 H new ATOM 37 2HD ARG A 2 13.916 -3.631 -3.934 1.00 84.40 H new ATOM 38 HE ARG A 2 15.283 -5.848 -2.854 1.00 90.52 H + new ATOM 39 1HH1 ARG A 2 17.355 -6.431 -3.582 1.00 93.66 H + new ATOM 40 2HH1 ARG A 2 17.891 -5.941 -5.154 1.00 93.66 H + new ATOM 41 1HH2 ARG A 2 14.937 -4.262 -5.970 1.00 93.72 H + new ATOM 42 2HH2 ARG A 2 16.521 -4.712 -6.508 1.00 93.72 H + new ATOM 43 N PRO A 3 10.844 -2.803 -0.201 1.00 54.39 N ATOM 44 CA PRO A 3 11.169 -2.294 1.141 1.00 48.70 C ATOM 45 C PRO A 3 9.937 -2.478 2.034 1.00 44.42 C ATOM 46 O PRO A 3 8.801 -2.420 1.550 1.00 43.26 O ATOM 47 CB PRO A 3 11.456 -0.809 0.896 1.00 47.72 C ATOM 48 CG PRO A 3 11.894 -0.767 -0.526 1.00 48.45 C ATOM 49 CD PRO A 3 10.933 -1.713 -1.192 1.00 50.95 C ATOM 50 HA PRO A 3 12.012 -2.801 1.634 1.00 48.70 H new ATOM 51 1HB PRO A 3 10.561 -0.191 1.062 1.00 47.72 H new ATOM 52 2HB PRO A 3 12.238 -0.431 1.571 1.00 47.72 H new ATOM 53 1HG PRO A 3 11.826 0.248 -0.945 1.00 48.45 H new ATOM 54 2HG PRO A 3 12.938 -1.094 -0.643 1.00 48.45 H new ATOM 55 1HD PRO A 3 9.955 -1.244 -1.378 1.00 50.95 H new ATOM 56 2HD PRO A 3 11.310 -2.068 -2.163 1.00 50.95 H new ATOM 57 N LEU A 4 10.148 -2.701 3.326 1.00 39.48 N ATOM 58 CA LEU A 4 9.019 -2.874 4.241 1.00 34.29 C ATOM 59 C LEU A 4 8.904 -1.660 5.146 1.00 30.64 C ATOM 60 O LEU A 4 9.904 -1.160 5.646 1.00 28.30 O ATOM 61 CB LEU A 4 9.193 -4.140 5.079 1.00 34.97 C ATOM 62 CG LEU A 4 8.136 -5.237 4.920 1.00 33.77 C ATOM 63 CD1 LEU A 4 7.919 -5.571 3.448 1.00 34.68 C ATOM 64 CD2 LEU A 4 8.595 -6.463 5.682 1.00 32.78 C ATOM 65 H LEU A 4 11.051 -2.765 3.751 1.00 39.48 H new ATOM 66 HA LEU A 4 8.097 -2.976 3.650 1.00 34.29 H new ATOM 67 1HB LEU A 4 10.174 -4.575 4.839 1.00 34.97 H new ATOM 68 2HB LEU A 4 9.222 -3.846 6.139 1.00 34.97 H new ATOM 69 HG LEU A 4 7.176 -4.885 5.325 1.00 33.77 H new ATOM 70 1HD1 LEU A 4 7.157 -6.360 3.359 1.00 34.68 H new ATOM 71 2HD1 LEU A 4 7.579 -4.672 2.914 1.00 34.68 H new ATOM 72 3HD1 LEU A 4 8.864 -5.923 3.008 1.00 34.68 H new ATOM 73 1HD2 LEU A 4 7.846 -7.262 5.578 1.00 32.78 H new ATOM 74 2HD2 LEU A 4 9.557 -6.808 5.276 1.00 32.78 H new ATOM 75 3HD2 LEU A 4 8.716 -6.210 6.746 1.00 32.78 H new ATOM 76 N ASN A 5 7.681 -1.184 5.341 1.00 27.60 N ATOM 77 CA ASN A 5 7.445 -0.013 6.168 1.00 25.27 C ATOM 78 C ASN A 5 6.570 -0.338 7.366 1.00 25.70 C ATOM 79 O ASN A 5 5.419 -0.738 7.198 1.00 28.02 O ATOM 80 CB ASN A 5 6.744 1.079 5.354 1.00 23.32 C ATOM 81 CG ASN A 5 7.443 1.383 4.047 1.00 23.56 C ATOM 82 OD1 ASN A 5 8.500 2.010 4.021 1.00 24.81 O ATOM 83 ND2 ASN A 5 6.851 0.936 2.947 1.00 25.10 N ATOM 84 H ASN A 5 6.855 -1.585 4.945 1.00 27.60 H new ATOM 85 HA ASN A 5 8.428 0.333 6.520 1.00 25.27 H new ATOM 86 1HB ASN A 5 5.710 0.767 5.146 1.00 23.32 H new ATOM 87 2HB ASN A 5 6.688 1.998 5.956 1.00 23.32 H new ATOM 88 1HD2 ASN A 5 7.265 1.105 2.052 1.00 25.10 H new ATOM 89 2HD2 ASN A 5 5.991 0.430 3.012 1.00 25.10 H new ATOM 90 N CYS A 6 7.109 -0.174 8.571 1.00 23.41 N ATOM 91 CA CYS A 6 6.321 -0.397 9.779 1.00 22.06 C ATOM 92 C CYS A 6 5.824 0.967 10.188 1.00 18.76 C ATOM 93 O CYS A 6 6.535 1.957 10.051 1.00 17.61 O ATOM 94 CB CYS A 6 7.160 -0.955 10.938 1.00 22.23 C ATOM 95 SG CYS A 6 7.617 -2.672 10.799 1.00 26.66 S ATOM 96 H CYS A 6 8.056 0.103 8.733 1.00 23.41 H new ATOM 97 HA CYS A 6 5.525 -1.127 9.571 1.00 22.06 H new ATOM 98 1HB CYS A 6 8.078 -0.355 11.024 1.00 22.23 H new ATOM 99 2HB CYS A 6 6.597 -0.818 11.873 1.00 22.23 H new ATOM 100 HG CYS A 6 8.322 -3.019 11.835 1.00 26.66 H new ATOM 101 N ILE A 7 4.599 1.024 10.673 1.00 16.61 N ATOM 102 CA ILE A 7 4.056 2.277 11.137 1.00 16.89 C ATOM 103 C ILE A 7 3.451 1.990 12.511 1.00 19.21 C ATOM 104 O ILE A 7 2.633 1.085 12.680 1.00 18.12 O ATOM 105 CB ILE A 7 3.010 2.875 10.136 1.00 16.54 C ATOM 106 CG1 ILE A 7 2.489 4.213 10.678 1.00 16.73 C ATOM 107 CG2 ILE A 7 1.882 1.889 9.877 1.00 16.08 C ATOM 108 CD1 ILE A 7 1.740 5.060 9.676 1.00 14.86 C ATOM 109 H ILE A 7 3.983 0.241 10.752 1.00 16.61 H new ATOM 110 HA ILE A 7 4.839 3.046 11.207 1.00 16.89 H new ATOM 111 HB ILE A 7 3.497 3.062 9.168 1.00 16.54 H new ATOM 112 1HG1 ILE A 7 1.827 4.012 11.533 1.00 16.73 H new ATOM 113 2HG1 ILE A 7 3.342 4.793 11.061 1.00 16.73 H new ATOM 114 1HG2 ILE A 7 1.162 2.331 9.173 1.00 16.08 H new ATOM 115 2HG2 ILE A 7 2.294 0.964 9.447 1.00 16.08 H new ATOM 116 3HG2 ILE A 7 1.372 1.657 10.824 1.00 16.08 H new ATOM 117 1HD1 ILE A 7 1.409 5.992 10.157 1.00 14.86 H new ATOM 118 2HD1 ILE A 7 2.401 5.299 8.830 1.00 14.86 H new ATOM 119 3HD1 ILE A 7 0.863 4.506 9.310 1.00 14.86 H new ATOM 120 N VAL A 8 3.904 2.748 13.502 1.00 20.00 N ATOM 121 CA VAL A 8 3.440 2.575 14.859 1.00 19.30 C ATOM 122 C VAL A 8 3.382 3.927 15.560 1.00 19.91 C ATOM 123 O VAL A 8 3.976 4.912 15.116 1.00 19.30 O ATOM 124 CB VAL A 8 4.409 1.642 15.638 1.00 21.66 C ATOM 125 CG1 VAL A 8 5.779 2.297 15.748 1.00 20.73 C ATOM 126 CG2 VAL A 8 3.857 1.321 17.030 1.00 20.37 C ATOM 127 H VAL A 8 4.581 3.475 13.386 1.00 20.00 H new ATOM 128 HA VAL A 8 2.437 2.125 14.835 1.00 19.30 H new ATOM 129 HB VAL A 8 4.506 0.696 15.085 1.00 21.66 H new ATOM 130 1HG1 VAL A 8 6.460 1.633 16.300 1.00 20.73 H new ATOM 131 2HG1 VAL A 8 6.181 2.479 14.740 1.00 20.73 H new ATOM 132 3HG1 VAL A 8 5.687 3.254 16.283 1.00 20.73 H new ATOM 133 1HG2 VAL A 8 4.559 0.661 17.560 1.00 20.37 H new ATOM 134 2HG2 VAL A 8 3.731 2.254 17.599 1.00 20.37 H new ATOM 135 3HG2 VAL A 8 2.884 0.817 16.932 1.00 20.37 H new ATOM 136 N ALA A 9 2.622 3.960 16.643 1.00 19.66 N ATOM 137 CA ALA A 9 2.485 5.136 17.485 1.00 19.97 C ATOM 138 C ALA A 9 2.868 4.576 18.849 1.00 19.96 C ATOM 139 O ALA A 9 2.300 3.577 19.296 1.00 19.27 O ATOM 140 CB ALA A 9 1.049 5.627 17.492 1.00 20.24 C ATOM 141 H ALA A 9 2.087 3.176 16.959 1.00 19.66 H new ATOM 142 HA ALA A 9 3.090 5.996 17.162 1.00 19.97 H new ATOM 143 1HB ALA A 9 0.968 6.516 18.134 1.00 20.24 H new ATOM 144 2HB ALA A 9 0.745 5.887 16.467 1.00 20.24 H new ATOM 145 3HB ALA A 9 0.392 4.834 17.879 1.00 20.24 H new ATOM 146 N VAL A 10 3.852 5.181 19.496 1.00 19.59 N ATOM 147 CA VAL A 10 4.279 4.683 20.797 1.00 22.52 C ATOM 148 C VAL A 10 4.412 5.814 21.810 1.00 23.07 C ATOM 149 O VAL A 10 4.709 6.946 21.435 1.00 23.02 O ATOM 150 CB VAL A 10 5.639 3.946 20.683 1.00 23.96 C ATOM 151 CG1 VAL A 10 5.513 2.762 19.746 1.00 23.62 C ATOM 152 CG2 VAL A 10 6.709 4.901 20.170 1.00 27.21 C ATOM 153 H VAL A 10 4.350 5.981 19.161 1.00 19.59 H new ATOM 154 HA VAL A 10 3.506 3.982 21.145 1.00 22.52 H new ATOM 155 HB VAL A 10 5.930 3.583 21.680 1.00 23.96 H new ATOM 156 1HG1 VAL A 10 6.482 2.247 19.673 1.00 23.62 H new ATOM 157 2HG1 VAL A 10 4.756 2.065 20.135 1.00 23.62 H new ATOM 158 3HG1 VAL A 10 5.209 3.113 18.749 1.00 23.62 H new ATOM 159 1HG2 VAL A 10 7.669 4.370 20.093 1.00 27.21 H new ATOM 160 2HG2 VAL A 10 6.419 5.279 19.179 1.00 27.21 H new ATOM 161 3HG2 VAL A 10 6.813 5.745 20.868 1.00 27.21 H new ATOM 162 N SER A 11 4.178 5.513 23.086 1.00 23.01 N ATOM 163 CA SER A 11 4.307 6.516 24.130 1.00 26.19 C ATOM 164 C SER A 11 5.779 6.609 24.557 1.00 30.39 C ATOM 165 O SER A 11 6.634 5.874 24.043 1.00 28.09 O ATOM 166 CB SER A 11 3.428 6.150 25.331 1.00 26.73 C ATOM 167 OG SER A 11 3.833 4.921 25.914 1.00 30.17 O ATOM 168 H SER A 11 3.906 4.607 23.409 1.00 23.01 H new ATOM 169 HA SER A 11 3.974 7.491 23.744 1.00 26.19 H new ATOM 170 1HB SER A 11 2.378 6.078 25.011 1.00 26.73 H new ATOM 171 2HB SER A 11 3.481 6.950 26.084 1.00 26.73 H new ATOM 172 HG SER A 11 4.105 5.076 26.864 1.00 30.17 H new ATOM 173 N GLN A 12 6.069 7.526 25.480 1.00 35.05 N ATOM 174 CA GLN A 12 7.426 7.715 25.991 1.00 38.15 C ATOM 175 C GLN A 12 7.963 6.404 26.526 1.00 38.84 C ATOM 176 O GLN A 12 9.046 5.968 26.146 1.00 39.82 O ATOM 177 CB GLN A 12 7.447 8.748 27.116 1.00 40.89 C ATOM 178 CG GLN A 12 7.606 10.178 26.656 1.00 44.10 C ATOM 179 CD GLN A 12 7.567 11.157 27.811 1.00 47.30 C ATOM 180 OE1 GLN A 12 7.422 10.636 29.030 1.00 47.97 O flip ATOM 181 NE2 GLN A 12 7.661 12.369 27.613 1.00 49.13 N flip ATOM 182 H GLN A 12 5.391 8.141 25.883 1.00 35.05 H new ATOM 183 HA GLN A 12 8.053 8.072 25.161 1.00 38.15 H new ATOM 184 1HB GLN A 12 6.513 8.664 27.690 1.00 40.89 H new ATOM 185 2HB GLN A 12 8.270 8.505 27.804 1.00 40.89 H new ATOM 186 1HG GLN A 12 8.560 10.285 26.119 1.00 44.10 H new ATOM 187 2HG GLN A 12 6.806 10.423 25.942 1.00 44.10 H new ATOM 188 1HE2 GLN A 12 7.630 13.005 28.384 1.00 49.13 H new ATOM 189 2HE2 GLN A 12 7.769 12.717 26.682 1.00 49.13 H new ATOM 190 N ASN A 13 7.205 5.784 27.424 1.00 41.02 N ATOM 191 CA ASN A 13 7.612 4.505 27.985 1.00 43.65 C ATOM 192 C ASN A 13 7.387 3.384 26.957 1.00 45.74 C ATOM 193 O ASN A 13 6.891 2.303 27.291 1.00 46.65 O ATOM 194 CB ASN A 13 6.846 4.217 29.285 1.00 42.11 C ATOM 195 CG ASN A 13 5.352 4.103 29.078 1.00 42.02 C ATOM 196 OD1 ASN A 13 4.687 5.072 28.725 1.00 43.89 O ATOM 197 ND2 ASN A 13 4.816 2.910 29.303 1.00 43.18 N ATOM 198 H ASN A 13 6.334 6.135 27.767 1.00 41.02 H new ATOM 199 HA ASN A 13 8.684 4.548 28.226 1.00 43.65 H new ATOM 200 1HB ASN A 13 7.222 3.282 29.726 1.00 42.11 H new ATOM 201 2HB ASN A 13 7.050 5.019 30.010 1.00 42.11 H new ATOM 202 1HD2 ASN A 13 3.832 2.774 29.186 1.00 43.18 H new ATOM 203 2HD2 ASN A 13 5.396 2.147 29.590 1.00 43.18 H new ATOM 204 N MET A 14 7.747 3.677 25.707 1.00 46.09 N ATOM 205 CA MET A 14 7.642 2.752 24.580 1.00 47.87 C ATOM 206 C MET A 14 6.393 1.854 24.575 1.00 48.05 C ATOM 207 O MET A 14 6.446 0.714 24.118 1.00 47.53 O ATOM 208 CB MET A 14 8.907 1.887 24.538 1.00 47.48 C ATOM 209 CG MET A 14 9.363 1.476 23.144 1.00 52.24 C ATOM 210 SD MET A 14 9.908 2.853 22.081 1.00 53.74 S ATOM 211 CE MET A 14 11.712 2.833 22.355 1.00 54.39 C ATOM 212 H MET A 14 8.121 4.568 25.450 1.00 46.09 H new ATOM 213 HA MET A 14 7.539 3.378 23.681 1.00 47.87 H new ATOM 214 1HB MET A 14 9.725 2.437 25.027 1.00 47.48 H new ATOM 215 2HB MET A 14 8.731 0.978 25.132 1.00 47.48 H new ATOM 216 1HG MET A 14 10.190 0.757 23.241 1.00 52.24 H new ATOM 217 2HG MET A 14 8.537 0.950 22.644 1.00 52.24 H new ATOM 218 1HE MET A 14 12.142 3.795 22.038 1.00 54.39 H new ATOM 219 2HE MET A 14 11.919 2.673 23.423 1.00 54.39 H new ATOM 220 3HE MET A 14 12.163 2.019 21.769 1.00 54.39 H new ATOM 221 N GLY A 15 5.267 2.368 25.058 1.00 49.35 N ATOM 222 CA GLY A 15 4.060 1.558 25.102 1.00 51.92 C ATOM 223 C GLY A 15 3.043 1.790 23.998 1.00 53.95 C ATOM 224 O GLY A 15 2.865 2.910 23.527 1.00 54.54 O ATOM 225 H GLY A 15 5.168 3.299 25.409 1.00 49.35 H new ATOM 226 1HA GLY A 15 4.356 0.499 25.079 1.00 51.92 H new ATOM 227 2HA GLY A 15 3.564 1.733 26.068 1.00 51.92 H new ATOM 228 N ILE A 16 2.367 0.718 23.592 1.00 56.30 N ATOM 229 CA ILE A 16 1.344 0.770 22.545 1.00 58.30 C ATOM 230 C ILE A 16 0.138 -0.046 23.013 1.00 59.64 C ATOM 231 O ILE A 16 0.305 -1.074 23.664 1.00 62.13 O ATOM 232 CB ILE A 16 1.867 0.171 21.203 1.00 57.64 C ATOM 233 CG1 ILE A 16 2.088 -1.341 21.331 1.00 55.98 C ATOM 234 CG2 ILE A 16 3.181 0.828 20.822 1.00 57.77 C ATOM 235 CD1 ILE A 16 2.547 -2.013 20.046 1.00 55.69 C ATOM 236 H ILE A 16 2.509 -0.196 23.972 1.00 56.30 H new ATOM 237 HA ILE A 16 1.073 1.821 22.368 1.00 58.30 H new ATOM 238 HB ILE A 16 1.111 0.361 20.427 1.00 57.64 H new ATOM 239 1HG1 ILE A 16 2.836 -1.526 22.116 1.00 55.98 H new ATOM 240 2HG1 ILE A 16 1.150 -1.811 21.663 1.00 55.98 H new ATOM 241 1HG2 ILE A 16 3.544 0.401 19.875 1.00 57.77 H new ATOM 242 2HG2 ILE A 16 3.029 1.911 20.701 1.00 57.77 H new ATOM 243 3HG2 ILE A 16 3.924 0.649 21.613 1.00 57.77 H new ATOM 244 1HD1 ILE A 16 2.681 -3.090 20.223 1.00 55.69 H new ATOM 245 2HD1 ILE A 16 1.790 -1.862 19.262 1.00 55.69 H new ATOM 246 3HD1 ILE A 16 3.502 -1.573 19.722 1.00 55.69 H new ATOM 247 N GLY A 17 -1.069 0.411 22.697 1.00 60.05 N ATOM 248 CA GLY A 17 -2.260 -0.318 23.108 1.00 60.43 C ATOM 249 C GLY A 17 -2.358 -0.674 24.588 1.00 60.54 C ATOM 250 O GLY A 17 -1.351 -0.868 25.272 1.00 59.80 O ATOM 251 H GLY A 17 -1.242 1.248 22.179 1.00 60.05 H new ATOM 252 1HA GLY A 17 -3.142 0.281 22.838 1.00 60.43 H new ATOM 253 2HA GLY A 17 -2.313 -1.249 22.525 1.00 60.43 H new ATOM 254 N LYS A 18 -3.588 -0.765 25.088 1.00 61.20 N ATOM 255 CA LYS A 18 -3.834 -1.102 26.488 1.00 61.01 C ATOM 256 C LYS A 18 -5.259 -1.611 26.701 1.00 61.91 C ATOM 257 O LYS A 18 -6.189 -0.818 26.857 1.00 62.98 O ATOM 258 CB LYS A 18 -3.580 0.121 27.376 1.00 59.04 C ATOM 259 CG LYS A 18 -4.000 -0.040 28.832 1.00 57.05 C ATOM 260 CD LYS A 18 -3.190 -1.094 29.561 1.00 55.96 C ATOM 261 CE LYS A 18 -3.726 -1.309 30.977 1.00 56.85 C ATOM 262 NZ LYS A 18 -3.069 -2.442 31.693 1.00 55.14 N ATOM 263 H LYS A 18 -4.418 -0.612 24.551 1.00 61.20 H new ATOM 264 HA LYS A 18 -3.140 -1.909 26.766 1.00 61.01 H new ATOM 265 1HB LYS A 18 -2.507 0.361 27.344 1.00 59.04 H new ATOM 266 2HB LYS A 18 -4.115 0.982 26.949 1.00 59.04 H new ATOM 267 1HG LYS A 18 -3.890 0.924 29.350 1.00 57.05 H new ATOM 268 2HG LYS A 18 -5.066 -0.308 28.874 1.00 57.05 H new ATOM 269 1HD LYS A 18 -3.225 -2.041 29.003 1.00 55.96 H new ATOM 270 2HD LYS A 18 -2.135 -0.786 29.606 1.00 55.96 H new ATOM 271 1HE LYS A 18 -3.585 -0.386 31.559 1.00 56.85 H new ATOM 272 2HE LYS A 18 -4.809 -1.495 30.927 1.00 56.85 H new ATOM 273 1HZ LYS A 18 -3.461 -2.531 32.609 1.00 55.14 H + new ATOM 274 2HZ LYS A 18 -3.217 -3.290 31.184 1.00 55.14 H + new ATOM 275 3HZ LYS A 18 -2.087 -2.266 31.767 1.00 55.14 H + new ATOM 276 N ASN A 19 -5.416 -2.936 26.693 1.00 62.69 N ATOM 277 CA ASN A 19 -6.706 -3.605 26.902 1.00 63.22 C ATOM 278 C ASN A 19 -7.700 -3.551 25.736 1.00 63.45 C ATOM 279 O ASN A 19 -8.907 -3.441 25.955 1.00 64.40 O ATOM 280 CB ASN A 19 -7.389 -3.069 28.177 1.00 64.22 C ATOM 281 CG ASN A 19 -6.754 -3.602 29.462 1.00 65.10 C ATOM 282 OD1 ASN A 19 -6.454 -2.708 30.402 1.00 67.25 O flip ATOM 283 ND2 ASN A 19 -6.550 -4.804 29.606 1.00 64.31 N flip ATOM 284 H ASN A 19 -4.659 -3.571 26.543 1.00 62.69 H new ATOM 285 HA ASN A 19 -6.437 -4.667 26.999 1.00 63.22 H new ATOM 286 1HB ASN A 19 -7.340 -1.970 28.179 1.00 64.22 H new ATOM 287 2HB ASN A 19 -8.454 -3.344 28.159 1.00 64.22 H new ATOM 288 1HD2 ASN A 19 -6.144 -5.144 30.454 1.00 64.31 H new ATOM 289 2HD2 ASN A 19 -6.790 -5.443 28.875 1.00 64.31 H new ATOM 290 N GLY A 20 -7.170 -3.552 24.469 1.00 63.31 N ATOM 291 CA GLY A 20 -8.135 -3.613 23.361 1.00 62.93 C ATOM 292 C GLY A 20 -7.995 -2.378 22.461 1.00 62.49 C ATOM 293 O GLY A 20 -8.224 -2.438 21.246 1.00 61.30 O ATOM 294 H GLY A 20 -6.201 -3.516 24.226 1.00 63.31 H new ATOM 295 1HA GLY A 20 -7.968 -4.526 22.771 1.00 62.93 H new ATOM 296 2HA GLY A 20 -9.159 -3.670 23.760 1.00 62.93 H new ATOM 297 N ASP A 21 -7.630 -1.272 23.084 1.00 62.03 N ATOM 298 CA ASP A 21 -7.444 0.010 22.380 1.00 61.06 C ATOM 299 C ASP A 21 -6.103 0.618 22.795 1.00 58.32 C ATOM 300 O ASP A 21 -5.291 -0.022 23.469 1.00 58.04 O ATOM 301 CB ASP A 21 -8.593 0.961 22.722 1.00 63.57 C ATOM 302 CG ASP A 21 -8.820 2.027 21.651 1.00 67.12 C ATOM 303 OD1 ASP A 21 -7.849 2.377 20.879 1.00 69.10 O ATOM 304 OD2 ASP A 21 -9.978 2.577 21.523 1.00 68.63 O ATOM 305 H ASP A 21 -7.455 -1.225 24.067 1.00 62.03 H new ATOM 306 HA ASP A 21 -7.444 -0.157 21.293 1.00 61.06 H new ATOM 307 1HB ASP A 21 -9.517 0.379 22.855 1.00 63.57 H new ATOM 308 2HB ASP A 21 -8.382 1.453 23.683 1.00 63.57 H new ATOM 309 N ARG A 22 -5.881 1.852 22.392 1.00 54.71 N ATOM 310 CA ARG A 22 -4.621 2.556 22.695 1.00 51.20 C ATOM 311 C ARG A 22 -4.658 3.128 24.126 1.00 48.46 C ATOM 312 O ARG A 22 -5.729 3.499 24.633 1.00 49.64 O ATOM 313 CB ARG A 22 -4.417 3.654 21.669 1.00 51.34 C ATOM 314 CG ARG A 22 -4.603 3.136 20.242 1.00 54.24 C ATOM 315 CD ARG A 22 -5.957 2.430 20.003 1.00 54.47 C ATOM 316 NE ARG A 22 -6.646 3.026 18.875 1.00 54.92 N ATOM 317 CZ ARG A 22 -7.707 2.587 18.188 1.00 56.17 C ATOM 318 NH1 ARG A 22 -8.309 1.423 18.420 1.00 53.80 N ATOM 319 NH2 ARG A 22 -8.276 3.346 17.238 1.00 57.78 N ATOM 320 H ARG A 22 -6.536 2.391 21.862 1.00 54.71 H new ATOM 321 HA ARG A 22 -3.776 1.854 22.642 1.00 51.20 H new ATOM 322 1HB ARG A 22 -5.129 4.471 21.859 1.00 51.34 H new ATOM 323 2HB ARG A 22 -3.407 4.076 21.778 1.00 51.34 H new ATOM 324 1HG ARG A 22 -4.512 3.979 19.542 1.00 54.24 H new ATOM 325 2HG ARG A 22 -3.789 2.434 20.008 1.00 54.24 H new ATOM 326 1HD ARG A 22 -5.792 1.359 19.816 1.00 54.47 H new ATOM 327 2HD ARG A 22 -6.582 2.506 20.905 1.00 54.47 H new ATOM 328 HE ARG A 22 -6.271 3.899 18.563 1.00 54.92 H + new ATOM 329 1HH1 ARG A 22 -7.971 0.821 19.143 1.00 53.80 H + new ATOM 330 2HH1 ARG A 22 -9.099 1.151 17.871 1.00 53.80 H + new ATOM 331 1HH2 ARG A 22 -7.907 4.253 17.035 1.00 57.78 H + new ATOM 332 2HH2 ARG A 22 -9.069 3.004 16.733 1.00 57.78 H + new ATOM 333 N PRO A 23 -3.499 3.224 24.820 1.00 44.53 N ATOM 334 CA PRO A 23 -3.436 3.713 26.203 1.00 42.24 C ATOM 335 C PRO A 23 -3.845 5.164 26.336 1.00 41.43 C ATOM 336 O PRO A 23 -4.472 5.543 27.373 1.00 41.49 O ATOM 337 CB PRO A 23 -1.979 3.630 26.570 1.00 43.42 C ATOM 338 CG PRO A 23 -1.223 3.133 25.356 1.00 43.38 C ATOM 339 CD PRO A 23 -2.201 2.838 24.259 1.00 42.66 C ATOM 340 HA PRO A 23 -4.115 3.122 26.835 1.00 42.24 H new ATOM 341 1HB PRO A 23 -1.603 4.616 26.881 1.00 43.42 H new ATOM 342 2HB PRO A 23 -1.834 2.947 27.420 1.00 43.42 H new ATOM 343 1HG PRO A 23 -0.497 3.890 25.024 1.00 43.38 H new ATOM 344 2HG PRO A 23 -0.651 2.228 25.609 1.00 43.38 H new ATOM 345 1HD PRO A 23 -1.970 3.412 23.350 1.00 42.66 H new ATOM 346 2HD PRO A 23 -2.184 1.774 23.981 1.00 42.66 H new ATOM 347 N TRP A 24 -3.469 5.946 25.333 1.00 38.65 N ATOM 348 CA TRP A 24 -3.739 7.403 25.292 1.00 34.12 C ATOM 349 C TRP A 24 -5.118 7.672 24.686 1.00 33.03 C ATOM 350 O TRP A 24 -5.709 6.800 24.041 1.00 32.79 O ATOM 351 CB TRP A 24 -2.695 8.101 24.423 1.00 32.89 C ATOM 352 CG TRP A 24 -2.536 7.412 23.073 1.00 34.43 C ATOM 353 CD1 TRP A 24 -3.304 7.579 21.990 1.00 33.49 C ATOM 354 CD2 TRP A 24 -1.529 6.464 22.760 1.00 34.78 C ATOM 355 NE1 TRP A 24 -2.797 6.705 20.979 1.00 32.99 N ATOM 356 CE2 TRP A 24 -1.761 6.053 21.454 1.00 33.83 C ATOM 357 CE3 TRP A 24 -0.454 5.911 23.470 1.00 34.51 C ATOM 358 CZ2 TRP A 24 -0.980 5.086 20.807 1.00 31.80 C ATOM 359 CZ3 TRP A 24 0.332 4.945 22.807 1.00 32.17 C ATOM 360 CH2 TRP A 24 0.078 4.551 21.538 1.00 32.25 C ATOM 361 H TRP A 24 -2.976 5.607 24.532 1.00 38.65 H new ATOM 362 HA TRP A 24 -3.700 7.788 26.322 1.00 34.12 H new ATOM 363 1HB TRP A 24 -2.988 9.150 24.268 1.00 32.89 H new ATOM 364 2HB TRP A 24 -1.728 8.111 24.947 1.00 32.89 H new ATOM 365 HD1 TRP A 24 -4.163 8.260 21.896 1.00 33.49 H new ATOM 366 HE1 TRP A 24 -3.172 6.606 20.057 1.00 32.99 H new ATOM 367 HE3 TRP A 24 -0.232 6.218 24.503 1.00 34.51 H new ATOM 368 HZ2 TRP A 24 -1.191 4.766 19.776 1.00 31.80 H new ATOM 369 HZ3 TRP A 24 1.182 4.496 23.341 1.00 32.17 H new ATOM 370 HH2 TRP A 24 0.722 3.790 21.073 1.00 32.25 H new ATOM 371 N PRO A 25 -5.720 8.847 24.913 1.00 32.28 N ATOM 372 CA PRO A 25 -7.014 9.185 24.308 1.00 30.13 C ATOM 373 C PRO A 25 -6.948 9.289 22.782 1.00 29.06 C ATOM 374 O PRO A 25 -5.857 9.607 22.213 1.00 29.10 O ATOM 375 CB PRO A 25 -7.370 10.499 24.952 1.00 28.67 C ATOM 376 CG PRO A 25 -6.233 10.884 25.889 1.00 29.13 C ATOM 377 CD PRO A 25 -5.140 9.872 25.777 1.00 31.10 C ATOM 378 HA PRO A 25 -7.770 8.405 24.480 1.00 30.13 H new ATOM 379 1HB PRO A 25 -7.518 11.275 24.187 1.00 28.67 H new ATOM 380 2HB PRO A 25 -8.315 10.412 25.509 1.00 28.67 H new ATOM 381 1HG PRO A 25 -5.852 11.883 25.632 1.00 29.13 H new ATOM 382 2HG PRO A 25 -6.597 10.935 26.926 1.00 29.13 H new ATOM 383 1HD PRO A 25 -4.229 10.305 25.338 1.00 31.10 H new ATOM 384 2HD PRO A 25 -4.861 9.465 26.760 1.00 31.10 H new ATOM 385 N PRO A 26 -8.062 9.033 22.037 1.00 27.31 N ATOM 386 CA PRO A 26 -8.048 9.107 20.580 1.00 26.56 C ATOM 387 C PRO A 26 -7.531 10.436 20.066 1.00 25.68 C ATOM 388 O PRO A 26 -8.093 11.516 20.415 1.00 24.26 O ATOM 389 CB PRO A 26 -9.469 8.783 20.172 1.00 22.43 C ATOM 390 CG PRO A 26 -10.250 8.447 21.427 1.00 22.52 C ATOM 391 CD PRO A 26 -9.356 8.649 22.619 1.00 26.59 C ATOM 392 HA PRO A 26 -7.342 8.396 20.127 1.00 26.56 H new ATOM 393 1HB PRO A 26 -9.925 9.639 19.653 1.00 22.43 H new ATOM 394 2HB PRO A 26 -9.484 7.936 19.471 1.00 22.43 H new ATOM 395 1HG PRO A 26 -11.141 9.088 21.505 1.00 22.52 H new ATOM 396 2HG PRO A 26 -10.605 7.407 21.388 1.00 22.52 H new ATOM 397 1HD PRO A 26 -9.745 9.433 23.286 1.00 26.59 H new ATOM 398 2HD PRO A 26 -9.271 7.730 23.218 1.00 26.59 H new ATOM 399 N LEU A 27 -6.478 10.290 19.263 1.00 25.86 N ATOM 400 CA LEU A 27 -5.801 11.400 18.573 1.00 25.21 C ATOM 401 C LEU A 27 -6.185 11.345 17.089 1.00 26.90 C ATOM 402 O LEU A 27 -5.610 10.573 16.308 1.00 27.35 O ATOM 403 CB LEU A 27 -4.277 11.262 18.701 1.00 21.83 C ATOM 404 CG LEU A 27 -3.763 11.285 20.146 1.00 22.50 C ATOM 405 CD1 LEU A 27 -2.232 11.229 20.226 1.00 20.51 C ATOM 406 CD2 LEU A 27 -4.174 12.544 20.912 1.00 23.19 C ATOM 407 H LEU A 27 -6.067 9.399 19.070 1.00 25.86 H new ATOM 408 HA LEU A 27 -6.107 12.355 19.024 1.00 25.21 H new ATOM 409 1HB LEU A 27 -3.964 10.320 18.228 1.00 21.83 H new ATOM 410 2HB LEU A 27 -3.798 12.078 18.140 1.00 21.83 H new ATOM 411 HG LEU A 27 -4.220 10.392 20.597 1.00 22.50 H new ATOM 412 1HD1 LEU A 27 -1.918 11.248 21.280 1.00 20.51 H new ATOM 413 2HD1 LEU A 27 -1.873 10.302 19.754 1.00 20.51 H new ATOM 414 3HD1 LEU A 27 -1.805 12.096 19.701 1.00 20.51 H new ATOM 415 1HD2 LEU A 27 -3.775 12.497 21.936 1.00 23.19 H new ATOM 416 2HD2 LEU A 27 -3.771 13.432 20.402 1.00 23.19 H new ATOM 417 3HD2 LEU A 27 -5.271 12.609 20.949 1.00 23.19 H new ATOM 418 N ARG A 28 -7.156 12.173 16.746 1.00 28.40 N ATOM 419 CA ARG A 28 -7.736 12.232 15.389 1.00 28.27 C ATOM 420 C ARG A 28 -6.696 12.651 14.334 1.00 28.36 C ATOM 421 O ARG A 28 -6.671 12.115 13.218 1.00 29.32 O ATOM 422 CB ARG A 28 -8.935 13.191 15.396 1.00 34.49 C ATOM 423 CG ARG A 28 -9.833 12.920 16.607 1.00 44.86 C ATOM 424 CD ARG A 28 -11.300 13.342 16.466 1.00 54.27 C ATOM 425 NE ARG A 28 -11.666 14.379 17.420 1.00 63.57 N ATOM 426 CZ ARG A 28 -12.859 14.573 17.999 1.00 67.33 C ATOM 427 NH1 ARG A 28 -13.895 13.754 17.897 1.00 70.13 N ATOM 428 NH2 ARG A 28 -13.152 15.732 18.573 1.00 66.20 N ATOM 429 H ARG A 28 -7.569 12.822 17.385 1.00 28.40 H new ATOM 430 HA ARG A 28 -8.074 11.223 15.109 1.00 28.27 H new ATOM 431 1HB ARG A 28 -8.580 14.232 15.421 1.00 34.49 H new ATOM 432 2HB ARG A 28 -9.514 13.071 14.468 1.00 34.49 H new ATOM 433 1HG ARG A 28 -9.802 11.843 16.827 1.00 44.86 H new ATOM 434 2HG ARG A 28 -9.406 13.438 17.478 1.00 44.86 H new ATOM 435 1HD ARG A 28 -11.479 13.707 15.444 1.00 54.27 H new ATOM 436 2HD ARG A 28 -11.948 12.465 16.613 1.00 54.27 H new ATOM 437 HE ARG A 28 -10.943 15.022 17.673 1.00 63.57 H + new ATOM 438 1HH1 ARG A 28 -13.819 12.917 17.355 1.00 70.13 H + new ATOM 439 2HH1 ARG A 28 -14.753 13.973 18.362 1.00 70.13 H + new ATOM 440 1HH2 ARG A 28 -12.480 16.472 18.577 1.00 66.20 H + new ATOM 441 2HH2 ARG A 28 -14.045 15.866 19.002 1.00 66.20 H + new ATOM 442 N ASN A 29 -5.841 13.594 14.681 1.00 26.57 N ATOM 443 CA ASN A 29 -4.820 14.087 13.736 1.00 24.23 C ATOM 444 C ASN A 29 -3.757 13.018 13.462 1.00 25.72 C ATOM 445 O ASN A 29 -3.098 13.021 12.415 1.00 27.29 O ATOM 446 CB ASN A 29 -4.113 15.320 14.286 1.00 26.05 C ATOM 447 CG ASN A 29 -5.054 16.500 14.523 1.00 27.14 C ATOM 448 OD1 ASN A 29 -6.091 16.608 13.871 1.00 27.29 O ATOM 449 ND2 ASN A 29 -4.747 17.400 15.438 1.00 28.24 N ATOM 450 H ASN A 29 -5.821 14.031 15.580 1.00 26.57 H new ATOM 451 HA ASN A 29 -5.348 14.339 12.804 1.00 24.23 H new ATOM 452 1HB ASN A 29 -3.618 15.059 15.233 1.00 26.05 H new ATOM 453 2HB ASN A 29 -3.323 15.625 13.584 1.00 26.05 H new ATOM 454 1HD2 ASN A 29 -5.359 18.174 15.603 1.00 28.24 H new ATOM 455 2HD2 ASN A 29 -3.903 17.308 15.966 1.00 28.24 H new ATOM 456 N GLU A 30 -3.593 12.115 14.409 1.00 25.75 N ATOM 457 CA GLU A 30 -2.609 11.030 14.271 1.00 26.88 C ATOM 458 C GLU A 30 -3.178 9.929 13.373 1.00 25.60 C ATOM 459 O GLU A 30 -2.456 9.326 12.565 1.00 23.79 O ATOM 460 CB GLU A 30 -2.265 10.438 15.636 1.00 29.00 C ATOM 461 CG GLU A 30 -0.885 9.774 15.667 1.00 24.36 C ATOM 462 CD GLU A 30 -0.840 8.456 14.894 1.00 26.12 C ATOM 463 OE1 GLU A 30 0.104 8.239 14.046 1.00 20.69 O ATOM 464 OE2 GLU A 30 -1.750 7.565 15.093 1.00 29.02 O ATOM 465 H GLU A 30 -4.109 12.101 15.265 1.00 25.75 H new ATOM 466 HA GLU A 30 -1.695 11.444 13.821 1.00 26.88 H new ATOM 467 1HB GLU A 30 -2.300 11.234 16.395 1.00 29.00 H new ATOM 468 2HB GLU A 30 -3.029 9.697 15.912 1.00 29.00 H new ATOM 469 1HG GLU A 30 -0.141 10.466 15.245 1.00 24.36 H new ATOM 470 2HG GLU A 30 -0.596 9.590 16.712 1.00 24.36 H new ATOM 471 N PHE A 31 -4.520 9.770 13.364 1.00 25.23 N ATOM 472 CA PHE A 31 -5.166 8.806 12.471 1.00 26.54 C ATOM 473 C PHE A 31 -5.083 9.302 11.032 1.00 25.97 C ATOM 474 O PHE A 31 -4.955 8.514 10.099 1.00 26.26 O ATOM 475 CB PHE A 31 -6.633 8.596 12.835 1.00 26.79 C ATOM 476 CG PHE A 31 -6.836 7.673 13.999 1.00 33.75 C ATOM 477 CD1 PHE A 31 -6.336 6.373 13.965 1.00 36.93 C ATOM 478 CD2 PHE A 31 -7.498 8.110 15.148 1.00 33.11 C ATOM 479 CE1 PHE A 31 -6.492 5.524 15.064 1.00 37.19 C ATOM 480 CE2 PHE A 31 -7.659 7.277 16.239 1.00 32.80 C ATOM 481 CZ PHE A 31 -7.154 5.982 16.201 1.00 35.41 C ATOM 482 H PHE A 31 -5.150 10.283 13.948 1.00 25.23 H new ATOM 483 HA PHE A 31 -4.638 7.847 12.579 1.00 26.54 H new ATOM 484 1HB PHE A 31 -7.088 9.570 13.067 1.00 26.79 H new ATOM 485 2HB PHE A 31 -7.165 8.193 11.961 1.00 26.79 H new ATOM 486 HD1 PHE A 31 -5.814 6.012 13.066 1.00 36.93 H new ATOM 487 HD2 PHE A 31 -7.898 9.134 15.186 1.00 33.11 H new ATOM 488 HE1 PHE A 31 -6.094 4.499 15.031 1.00 37.19 H new ATOM 489 HE2 PHE A 31 -8.185 7.638 17.135 1.00 32.80 H new ATOM 490 HZ PHE A 31 -7.277 5.318 17.070 1.00 35.41 H new ATOM 491 N LYS A 32 -5.149 10.618 10.866 1.00 25.84 N ATOM 492 CA LYS A 32 -5.075 11.228 9.549 1.00 25.09 C ATOM 493 C LYS A 32 -3.704 10.955 8.952 1.00 21.74 C ATOM 494 O LYS A 32 -3.574 10.595 7.784 1.00 22.97 O ATOM 495 CB LYS A 32 -5.314 12.739 9.651 1.00 28.00 C ATOM 496 CG LYS A 32 -6.671 13.128 10.222 1.00 31.08 C ATOM 497 CD LYS A 32 -6.886 14.634 10.148 1.00 38.44 C ATOM 498 CE LYS A 32 -8.167 15.075 10.863 1.00 41.90 C ATOM 499 NZ LYS A 32 -8.057 14.988 12.358 1.00 44.47 N ATOM 500 H LYS A 32 -5.252 11.270 11.617 1.00 25.84 H new ATOM 501 HA LYS A 32 -5.852 10.796 8.901 1.00 25.09 H new ATOM 502 1HB LYS A 32 -4.526 13.180 10.279 1.00 28.00 H new ATOM 503 2HB LYS A 32 -5.212 13.182 8.649 1.00 28.00 H new ATOM 504 1HG LYS A 32 -7.468 12.613 9.666 1.00 31.08 H new ATOM 505 2HG LYS A 32 -6.742 12.795 11.268 1.00 31.08 H new ATOM 506 1HD LYS A 32 -6.023 15.148 10.597 1.00 38.44 H new ATOM 507 2HD LYS A 32 -6.932 14.944 9.094 1.00 38.44 H new ATOM 508 1HE LYS A 32 -8.404 16.110 10.577 1.00 41.90 H new ATOM 509 2HE LYS A 32 -9.005 14.448 10.524 1.00 41.90 H new ATOM 510 1HZ LYS A 32 -8.885 15.362 12.776 1.00 44.47 H + new ATOM 511 2HZ LYS A 32 -7.950 14.032 12.630 1.00 44.47 H + new ATOM 512 3HZ LYS A 32 -7.263 15.513 12.665 1.00 44.47 H + new ATOM 513 N TYR A 33 -2.677 11.131 9.766 1.00 22.11 N ATOM 514 CA TYR A 33 -1.310 10.888 9.325 1.00 20.81 C ATOM 515 C TYR A 33 -1.142 9.402 8.974 1.00 20.32 C ATOM 516 O TYR A 33 -0.447 9.053 8.020 1.00 20.65 O ATOM 517 CB TYR A 33 -0.335 11.302 10.429 1.00 12.96 C ATOM 518 CG TYR A 33 1.072 10.894 10.149 1.00 12.31 C ATOM 519 CD1 TYR A 33 1.558 9.670 10.597 1.00 13.16 C ATOM 520 CD2 TYR A 33 1.930 11.726 9.431 1.00 13.32 C ATOM 521 CE1 TYR A 33 2.870 9.281 10.347 1.00 12.70 C ATOM 522 CE2 TYR A 33 3.249 11.347 9.165 1.00 14.21 C ATOM 523 CZ TYR A 33 3.709 10.119 9.632 1.00 13.59 C ATOM 524 OH TYR A 33 5.005 9.732 9.397 1.00 18.50 O ATOM 525 H TYR A 33 -2.760 11.435 10.715 1.00 22.11 H new ATOM 526 HA TYR A 33 -1.094 11.486 8.427 1.00 20.81 H new ATOM 527 1HB TYR A 33 -0.376 12.394 10.555 1.00 12.96 H new ATOM 528 2HB TYR A 33 -0.657 10.856 11.381 1.00 12.96 H new ATOM 529 HD1 TYR A 33 0.893 8.998 11.159 1.00 13.16 H new ATOM 530 HD2 TYR A 33 1.563 12.697 9.068 1.00 13.32 H new ATOM 531 HE1 TYR A 33 3.239 8.313 10.715 1.00 12.70 H new ATOM 532 HE2 TYR A 33 3.915 12.011 8.594 1.00 14.21 H new ATOM 533 HH TYR A 33 5.164 9.679 8.411 1.00 18.50 H new ATOM 534 N PHE A 34 -1.783 8.539 9.761 1.00 19.35 N ATOM 535 CA PHE A 34 -1.755 7.094 9.541 1.00 18.89 C ATOM 536 C PHE A 34 -2.471 6.754 8.221 1.00 19.87 C ATOM 537 O PHE A 34 -1.973 5.970 7.407 1.00 17.62 O ATOM 538 CB PHE A 34 -2.466 6.389 10.694 1.00 16.35 C ATOM 539 CG PHE A 34 -2.744 4.937 10.439 1.00 14.84 C ATOM 540 CD1 PHE A 34 -1.744 3.981 10.599 1.00 12.50 C ATOM 541 CD2 PHE A 34 -4.008 4.522 10.025 1.00 15.11 C ATOM 542 CE1 PHE A 34 -2.000 2.634 10.351 1.00 9.89 C ATOM 543 CE2 PHE A 34 -4.266 3.172 9.775 1.00 13.97 C ATOM 544 CZ PHE A 34 -3.260 2.231 9.941 1.00 9.92 C ATOM 545 H PHE A 34 -2.326 8.817 10.554 1.00 19.35 H new ATOM 546 HA PHE A 34 -0.709 6.757 9.488 1.00 18.89 H new ATOM 547 1HB PHE A 34 -1.851 6.481 11.602 1.00 16.35 H new ATOM 548 2HB PHE A 34 -3.417 6.904 10.896 1.00 16.35 H new ATOM 549 HD1 PHE A 34 -0.741 4.293 10.925 1.00 12.50 H new ATOM 550 HD2 PHE A 34 -4.810 5.264 9.894 1.00 15.11 H new ATOM 551 HE1 PHE A 34 -1.200 1.890 10.481 1.00 9.89 H new ATOM 552 HE2 PHE A 34 -5.267 2.855 9.447 1.00 13.97 H new ATOM 553 HZ PHE A 34 -3.463 1.167 9.747 1.00 9.92 H new ATOM 554 N GLN A 35 -3.649 7.348 8.036 1.00 19.42 N ATOM 555 CA GLN A 35 -4.450 7.151 6.840 1.00 19.60 C ATOM 556 C GLN A 35 -3.707 7.596 5.593 1.00 18.81 C ATOM 557 O GLN A 35 -3.565 6.835 4.644 1.00 17.44 O ATOM 558 CB GLN A 35 -5.739 7.948 6.947 1.00 22.77 C ATOM 559 CG GLN A 35 -6.638 7.812 5.729 1.00 31.74 C ATOM 560 CD GLN A 35 -7.966 8.539 5.887 1.00 33.44 C ATOM 561 OE1 GLN A 35 -9.012 8.029 5.484 1.00 36.58 O ATOM 562 NE2 GLN A 35 -7.929 9.739 6.464 1.00 34.41 N ATOM 563 H GLN A 35 -4.063 7.968 8.703 1.00 19.42 H new ATOM 564 HA GLN A 35 -4.667 6.076 6.758 1.00 19.60 H new ATOM 565 1HB GLN A 35 -6.291 7.619 7.839 1.00 22.77 H new ATOM 566 2HB GLN A 35 -5.493 9.010 7.095 1.00 22.77 H new ATOM 567 1HG GLN A 35 -6.113 8.206 4.847 1.00 31.74 H new ATOM 568 2HG GLN A 35 -6.830 6.746 5.539 1.00 31.74 H new ATOM 569 1HE2 GLN A 35 -8.773 10.262 6.584 1.00 34.41 H new ATOM 570 2HE2 GLN A 35 -7.058 10.117 6.777 1.00 34.41 H new ATOM 571 N ARG A 36 -3.234 8.837 5.609 1.00 19.02 N ATOM 572 CA ARG A 36 -2.518 9.417 4.477 1.00 19.03 C ATOM 573 C ARG A 36 -1.246 8.684 4.127 1.00 20.12 C ATOM 574 O ARG A 36 -0.891 8.551 2.958 1.00 22.19 O ATOM 575 CB ARG A 36 -2.173 10.884 4.759 1.00 18.55 C ATOM 576 CG ARG A 36 -1.243 11.508 3.722 1.00 19.81 C ATOM 577 CD ARG A 36 -1.072 13.006 3.931 1.00 22.35 C ATOM 578 NE ARG A 36 -0.129 13.331 4.999 1.00 21.52 N ATOM 579 CZ ARG A 36 1.184 13.419 4.827 1.00 21.27 C ATOM 580 NH1 ARG A 36 1.703 13.209 3.628 1.00 18.93 N ATOM 581 NH2 ARG A 36 1.973 13.719 5.853 1.00 23.90 N ATOM 582 H ARG A 36 -3.333 9.456 6.388 1.00 19.02 H new ATOM 583 HA ARG A 36 -3.200 9.330 3.618 1.00 19.03 H new ATOM 584 1HB ARG A 36 -3.104 11.468 4.802 1.00 18.55 H new ATOM 585 2HB ARG A 36 -1.702 10.956 5.751 1.00 18.55 H new ATOM 586 1HG ARG A 36 -0.259 11.018 3.772 1.00 19.81 H new ATOM 587 2HG ARG A 36 -1.644 11.323 2.714 1.00 19.81 H new ATOM 588 1HD ARG A 36 -0.726 13.464 2.993 1.00 22.35 H new ATOM 589 2HD ARG A 36 -2.050 13.452 4.165 1.00 22.35 H new ATOM 590 HE ARG A 36 -0.495 13.497 5.915 1.00 21.52 H + new ATOM 591 1HH1 ARG A 36 1.107 12.985 2.857 1.00 18.93 H + new ATOM 592 2HH1 ARG A 36 2.692 13.274 3.493 1.00 18.93 H + new ATOM 593 1HH2 ARG A 36 1.578 13.879 6.758 1.00 23.90 H + new ATOM 594 2HH2 ARG A 36 2.962 13.785 5.721 1.00 23.90 H + new ATOM 595 N MET A 37 -0.551 8.219 5.152 1.00 21.52 N ATOM 596 CA MET A 37 0.712 7.520 4.979 1.00 20.67 C ATOM 597 C MET A 37 0.574 6.114 4.370 1.00 19.16 C ATOM 598 O MET A 37 1.335 5.734 3.493 1.00 20.90 O ATOM 599 CB MET A 37 1.407 7.451 6.343 1.00 20.84 C ATOM 600 CG MET A 37 2.838 7.947 6.362 1.00 23.81 C ATOM 601 SD MET A 37 3.136 9.491 5.482 1.00 23.28 S ATOM 602 CE MET A 37 4.190 8.909 4.190 1.00 21.60 C ATOM 603 H MET A 37 -0.839 8.313 6.105 1.00 21.52 H new ATOM 604 HA MET A 37 1.311 8.087 4.251 1.00 20.67 H new ATOM 605 1HB MET A 37 0.822 8.040 7.065 1.00 20.84 H new ATOM 606 2HB MET A 37 1.393 6.408 6.692 1.00 20.84 H new ATOM 607 1HG MET A 37 3.149 8.077 7.409 1.00 23.81 H new ATOM 608 2HG MET A 37 3.483 7.168 5.929 1.00 23.81 H new ATOM 609 1HE MET A 37 4.474 9.750 3.541 1.00 21.60 H new ATOM 610 2HE MET A 37 5.095 8.462 4.628 1.00 21.60 H new ATOM 611 3HE MET A 37 3.658 8.151 3.596 1.00 21.60 H new ATOM 612 N THR A 38 -0.404 5.343 4.819 1.00 18.26 N ATOM 613 CA THR A 38 -0.574 3.994 4.304 1.00 16.87 C ATOM 614 C THR A 38 -1.441 3.954 3.057 1.00 18.03 C ATOM 615 O THR A 38 -1.420 2.980 2.311 1.00 19.17 O ATOM 616 CB THR A 38 -1.215 3.078 5.359 1.00 16.73 C ATOM 617 OG1 THR A 38 -2.544 3.527 5.626 1.00 20.52 O ATOM 618 CG2 THR A 38 -0.436 3.111 6.643 1.00 13.15 C ATOM 619 H THR A 38 -1.069 5.617 5.514 1.00 18.26 H new ATOM 620 HA THR A 38 0.436 3.640 4.049 1.00 16.87 H new ATOM 621 HB THR A 38 -1.220 2.050 4.967 1.00 16.73 H new ATOM 622 HG1 THR A 38 -2.511 4.337 6.212 1.00 20.52 H new ATOM 623 1HG2 THR A 38 -0.914 2.449 7.380 1.00 13.15 H new ATOM 624 2HG2 THR A 38 0.593 2.769 6.457 1.00 13.15 H new ATOM 625 3HG2 THR A 38 -0.415 4.139 7.034 1.00 13.15 H new ATOM 626 N THR A 39 -2.203 5.015 2.828 1.00 19.19 N ATOM 627 CA THR A 39 -3.085 5.071 1.667 1.00 20.35 C ATOM 628 C THR A 39 -2.445 5.627 0.399 1.00 20.81 C ATOM 629 O THR A 39 -2.782 5.208 -0.706 1.00 23.71 O ATOM 630 CB THR A 39 -4.355 5.921 1.960 1.00 19.26 C ATOM 631 OG1 THR A 39 -5.134 5.296 2.989 1.00 20.94 O ATOM 632 CG2 THR A 39 -5.210 6.050 0.711 1.00 19.63 C ATOM 633 H THR A 39 -2.229 5.826 3.412 1.00 19.19 H new ATOM 634 HA THR A 39 -3.336 4.016 1.482 1.00 20.35 H new ATOM 635 HB THR A 39 -4.032 6.921 2.286 1.00 19.26 H new ATOM 636 HG1 THR A 39 -4.835 5.630 3.883 1.00 20.94 H new ATOM 637 1HG2 THR A 39 -6.102 6.653 0.937 1.00 19.63 H new ATOM 638 2HG2 THR A 39 -4.628 6.540 -0.083 1.00 19.63 H new ATOM 639 3HG2 THR A 39 -5.520 5.050 0.373 1.00 19.63 H new ATOM 640 N THR A 40 -1.522 6.565 0.544 1.00 20.73 N ATOM 641 CA THR A 40 -0.920 7.181 -0.629 1.00 21.06 C ATOM 642 C THR A 40 0.159 6.386 -1.349 1.00 22.84 C ATOM 643 O THR A 40 1.272 6.222 -0.842 1.00 23.08 O ATOM 644 CB THR A 40 -0.344 8.552 -0.279 1.00 20.37 C ATOM 645 OG1 THR A 40 -1.326 9.305 0.437 1.00 20.30 O ATOM 646 CG2 THR A 40 0.039 9.300 -1.544 1.00 19.34 C ATOM 647 H THR A 40 -1.186 6.904 1.423 1.00 20.73 H new ATOM 648 HA THR A 40 -1.763 7.242 -1.333 1.00 21.06 H new ATOM 649 HB THR A 40 0.554 8.417 0.342 1.00 20.37 H new ATOM 650 HG1 THR A 40 -1.405 8.950 1.369 1.00 20.30 H new ATOM 651 1HG2 THR A 40 0.452 10.284 -1.278 1.00 19.34 H new ATOM 652 2HG2 THR A 40 0.795 8.723 -2.097 1.00 19.34 H new ATOM 653 3HG2 THR A 40 -0.852 9.435 -2.175 1.00 19.34 H new ATOM 654 N SER A 41 -0.177 5.901 -2.543 1.00 25.64 N ATOM 655 CA SER A 41 0.771 5.151 -3.356 1.00 27.03 C ATOM 656 C SER A 41 1.461 6.192 -4.214 1.00 28.00 C ATOM 657 O SER A 41 0.917 7.274 -4.444 1.00 28.60 O ATOM 658 CB SER A 41 0.059 4.141 -4.248 1.00 27.24 C ATOM 659 OG SER A 41 -0.545 4.782 -5.349 1.00 29.87 O ATOM 660 H SER A 41 -1.080 6.013 -2.958 1.00 25.64 H new ATOM 661 HA SER A 41 1.472 4.581 -2.728 1.00 27.03 H new ATOM 662 1HB SER A 41 -0.705 3.605 -3.666 1.00 27.24 H new ATOM 663 2HB SER A 41 0.778 3.389 -4.605 1.00 27.24 H new ATOM 664 HG SER A 41 -0.066 4.526 -6.188 1.00 29.87 H new ATOM 665 N SER A 42 2.655 5.864 -4.684 1.00 26.78 N ATOM 666 CA SER A 42 3.436 6.788 -5.486 1.00 27.73 C ATOM 667 C SER A 42 3.146 6.669 -6.976 1.00 29.02 C ATOM 668 O SER A 42 3.576 7.504 -7.775 1.00 27.69 O ATOM 669 CB SER A 42 4.912 6.534 -5.228 1.00 27.89 C ATOM 670 OG SER A 42 5.184 5.152 -5.378 1.00 30.48 O ATOM 671 H SER A 42 3.095 4.980 -4.525 1.00 26.78 H new ATOM 672 HA SER A 42 3.155 7.809 -5.189 1.00 27.73 H new ATOM 673 1HB SER A 42 5.181 6.865 -4.214 1.00 27.89 H new ATOM 674 2HB SER A 42 5.525 7.118 -5.930 1.00 27.89 H new ATOM 675 HG SER A 42 4.734 4.642 -4.645 1.00 30.48 H new ATOM 676 N VAL A 43 2.417 5.620 -7.343 1.00 29.88 N ATOM 677 CA VAL A 43 2.070 5.371 -8.729 1.00 28.13 C ATOM 678 C VAL A 43 0.564 5.338 -8.886 1.00 31.76 C ATOM 679 O VAL A 43 -0.153 4.859 -8.005 1.00 33.37 O ATOM 680 CB VAL A 43 2.640 4.021 -9.206 1.00 25.98 C ATOM 681 CG1 VAL A 43 2.069 3.653 -10.557 1.00 25.10 C ATOM 682 CG2 VAL A 43 4.142 4.104 -9.298 1.00 26.16 C ATOM 683 H VAL A 43 2.062 4.939 -6.703 1.00 29.88 H new ATOM 684 HA VAL A 43 2.500 6.182 -9.335 1.00 28.13 H new ATOM 685 HB VAL A 43 2.359 3.245 -8.479 1.00 25.98 H new ATOM 686 1HG1 VAL A 43 2.486 2.688 -10.881 1.00 25.10 H new ATOM 687 2HG1 VAL A 43 0.974 3.573 -10.483 1.00 25.10 H new ATOM 688 3HG1 VAL A 43 2.331 4.430 -11.290 1.00 25.10 H new ATOM 689 1HG2 VAL A 43 4.543 3.138 -9.639 1.00 26.16 H new ATOM 690 2HG2 VAL A 43 4.423 4.890 -10.014 1.00 26.16 H new ATOM 691 3HG2 VAL A 43 4.558 4.344 -8.308 1.00 26.16 H new ATOM 692 N GLU A 44 0.085 5.858 -10.009 1.00 33.75 N ATOM 693 CA GLU A 44 -1.337 5.851 -10.287 1.00 34.35 C ATOM 694 C GLU A 44 -1.684 4.422 -10.711 1.00 34.95 C ATOM 695 O GLU A 44 -0.913 3.775 -11.424 1.00 33.63 O ATOM 696 CB GLU A 44 -1.646 6.811 -11.425 1.00 35.51 C ATOM 697 CG GLU A 44 -3.099 7.181 -11.502 1.00 39.03 C ATOM 698 CD GLU A 44 -3.459 8.240 -10.493 1.00 40.79 C ATOM 699 OE1 GLU A 44 -3.037 9.405 -10.684 1.00 42.60 O ATOM 700 OE2 GLU A 44 -4.155 7.906 -9.511 1.00 42.66 O ATOM 701 H GLU A 44 0.648 6.278 -10.721 1.00 33.75 H new ATOM 702 HA GLU A 44 -1.919 6.165 -9.408 1.00 34.35 H new ATOM 703 1HB GLU A 44 -1.047 7.725 -11.299 1.00 35.51 H new ATOM 704 2HB GLU A 44 -1.339 6.353 -12.377 1.00 35.51 H new ATOM 705 1HG GLU A 44 -3.332 7.544 -12.514 1.00 39.03 H new ATOM 706 2HG GLU A 44 -3.715 6.286 -11.331 1.00 39.03 H new ATOM 707 N GLY A 45 -2.832 3.922 -10.266 1.00 35.41 N ATOM 708 CA GLY A 45 -3.220 2.571 -10.635 1.00 36.62 C ATOM 709 C GLY A 45 -2.844 1.503 -9.621 1.00 36.62 C ATOM 710 O GLY A 45 -3.610 0.567 -9.384 1.00 38.05 O ATOM 711 H GLY A 45 -3.479 4.408 -9.678 1.00 35.41 H new ATOM 712 1HA GLY A 45 -4.309 2.546 -10.787 1.00 36.62 H new ATOM 713 2HA GLY A 45 -2.755 2.321 -11.600 1.00 36.62 H new ATOM 714 N LYS A 46 -1.662 1.630 -9.027 1.00 34.48 N ATOM 715 CA LYS A 46 -1.217 0.669 -8.027 1.00 33.83 C ATOM 716 C LYS A 46 -1.606 1.141 -6.612 1.00 32.92 C ATOM 717 O LYS A 46 -1.514 2.329 -6.304 1.00 33.08 O ATOM 718 CB LYS A 46 0.296 0.478 -8.142 1.00 32.75 C ATOM 719 CG LYS A 46 0.744 0.208 -9.566 1.00 33.60 C ATOM 720 CD LYS A 46 2.189 -0.229 -9.625 1.00 34.67 C ATOM 721 CE LYS A 46 2.355 -1.604 -9.013 1.00 37.44 C ATOM 722 NZ LYS A 46 3.782 -2.047 -9.004 1.00 40.07 N ATOM 723 H LYS A 46 -1.014 2.368 -9.215 1.00 34.48 H new ATOM 724 HA LYS A 46 -1.712 -0.297 -8.206 1.00 33.83 H new ATOM 725 1HB LYS A 46 0.805 1.378 -7.766 1.00 32.75 H new ATOM 726 2HB LYS A 46 0.606 -0.359 -7.499 1.00 32.75 H new ATOM 727 1HG LYS A 46 0.107 -0.571 -10.010 1.00 33.60 H new ATOM 728 2HG LYS A 46 0.610 1.117 -10.171 1.00 33.60 H new ATOM 729 1HD LYS A 46 2.532 -0.243 -10.670 1.00 34.67 H new ATOM 730 2HD LYS A 46 2.820 0.496 -9.089 1.00 34.67 H new ATOM 731 1HE LYS A 46 1.969 -1.594 -7.983 1.00 37.44 H new ATOM 732 2HE LYS A 46 1.751 -2.330 -9.576 1.00 37.44 H new ATOM 733 1HZ LYS A 46 3.823 -3.040 -8.892 1.00 40.07 H + new ATOM 734 2HZ LYS A 46 4.216 -1.791 -9.868 1.00 40.07 H + new ATOM 735 3HZ LYS A 46 4.263 -1.607 -8.246 1.00 40.07 H + new ATOM 736 N GLN A 47 -2.053 0.211 -5.767 1.00 30.42 N ATOM 737 CA GLN A 47 -2.461 0.532 -4.399 1.00 28.61 C ATOM 738 C GLN A 47 -1.472 0.066 -3.338 1.00 26.81 C ATOM 739 O GLN A 47 -0.600 -0.756 -3.596 1.00 24.24 O ATOM 740 CB GLN A 47 -3.818 -0.093 -4.076 1.00 27.66 C ATOM 741 CG GLN A 47 -4.948 0.302 -4.999 1.00 32.53 C ATOM 742 CD GLN A 47 -6.294 -0.183 -4.490 1.00 34.62 C ATOM 743 OE1 GLN A 47 -6.440 -1.344 -4.112 1.00 34.18 O ATOM 744 NE2 GLN A 47 -7.286 0.705 -4.482 1.00 35.92 N ATOM 745 H GLN A 47 -2.140 -0.757 -6.003 1.00 30.42 H new ATOM 746 HA GLN A 47 -2.508 1.631 -4.367 1.00 28.61 H new ATOM 747 1HB GLN A 47 -3.714 -1.188 -4.099 1.00 27.66 H new ATOM 748 2HB GLN A 47 -4.094 0.182 -3.047 1.00 27.66 H new ATOM 749 1HG GLN A 47 -4.969 1.397 -5.104 1.00 32.53 H new ATOM 750 2HG GLN A 47 -4.764 -0.113 -6.001 1.00 32.53 H new ATOM 751 1HE2 GLN A 47 -8.194 0.437 -4.159 1.00 35.92 H new ATOM 752 2HE2 GLN A 47 -7.123 1.640 -4.798 1.00 35.92 H new ATOM 753 N ASN A 48 -1.627 0.601 -2.132 1.00 26.73 N ATOM 754 CA ASN A 48 -0.773 0.224 -1.025 1.00 25.78 C ATOM 755 C ASN A 48 -1.329 -1.016 -0.345 1.00 26.61 C ATOM 756 O ASN A 48 -2.534 -1.275 -0.370 1.00 26.75 O ATOM 757 CB ASN A 48 -0.646 1.357 -0.004 1.00 25.13 C ATOM 758 CG ASN A 48 0.345 2.425 -0.438 1.00 25.16 C ATOM 759 OD1 ASN A 48 1.238 2.171 -1.246 1.00 23.07 O ATOM 760 ND2 ASN A 48 0.201 3.625 0.114 1.00 29.01 N ATOM 761 H ASN A 48 -2.323 1.282 -1.906 1.00 26.73 H new ATOM 762 HA ASN A 48 0.229 0.012 -1.427 1.00 25.78 H new ATOM 763 1HB ASN A 48 -1.632 1.818 0.151 1.00 25.13 H new ATOM 764 2HB ASN A 48 -0.330 0.940 0.964 1.00 25.13 H new ATOM 765 1HD2 ASN A 48 0.832 4.363 -0.123 1.00 29.01 H new ATOM 766 2HD2 ASN A 48 -0.539 3.790 0.767 1.00 29.01 H new ATOM 767 N LEU A 49 -0.426 -1.767 0.272 1.00 27.57 N ATOM 768 CA LEU A 49 -0.742 -3.006 0.959 1.00 25.65 C ATOM 769 C LEU A 49 -0.495 -2.844 2.457 1.00 24.95 C ATOM 770 O LEU A 49 0.539 -2.303 2.857 1.00 22.90 O ATOM 771 CB LEU A 49 0.166 -4.102 0.401 1.00 28.91 C ATOM 772 CG LEU A 49 -0.030 -5.581 0.736 1.00 30.52 C ATOM 773 CD1 LEU A 49 0.110 -5.832 2.234 1.00 29.23 C ATOM 774 CD2 LEU A 49 -1.382 -6.002 0.233 1.00 31.96 C ATOM 775 H LEU A 49 0.545 -1.530 0.307 1.00 27.57 H new ATOM 776 HA LEU A 49 -1.799 -3.270 0.804 1.00 25.65 H new ATOM 777 1HB LEU A 49 0.122 -4.019 -0.695 1.00 28.91 H new ATOM 778 2HB LEU A 49 1.192 -3.844 0.702 1.00 28.91 H new ATOM 779 HG LEU A 49 0.750 -6.181 0.244 1.00 30.52 H new ATOM 780 1HD1 LEU A 49 -0.036 -6.902 2.442 1.00 29.23 H new ATOM 781 2HD1 LEU A 49 1.114 -5.528 2.565 1.00 29.23 H new ATOM 782 3HD1 LEU A 49 -0.647 -5.247 2.777 1.00 29.23 H new ATOM 783 1HD2 LEU A 49 -1.545 -7.065 0.464 1.00 31.96 H new ATOM 784 2HD2 LEU A 49 -2.160 -5.398 0.722 1.00 31.96 H new ATOM 785 3HD2 LEU A 49 -1.432 -5.852 -0.856 1.00 31.96 H new ATOM 786 N VAL A 50 -1.448 -3.295 3.275 1.00 23.42 N ATOM 787 CA VAL A 50 -1.302 -3.245 4.729 1.00 22.23 C ATOM 788 C VAL A 50 -1.475 -4.664 5.282 1.00 22.70 C ATOM 789 O VAL A 50 -2.399 -5.392 4.895 1.00 23.83 O ATOM 790 CB VAL A 50 -2.337 -2.282 5.433 1.00 21.38 C ATOM 791 CG1 VAL A 50 -2.285 -0.889 4.824 1.00 19.44 C ATOM 792 CG2 VAL A 50 -3.731 -2.846 5.356 1.00 23.21 C ATOM 793 H VAL A 50 -2.311 -3.691 2.961 1.00 23.42 H new ATOM 794 HA VAL A 50 -0.302 -2.841 4.945 1.00 22.23 H new ATOM 795 HB VAL A 50 -2.058 -2.201 6.494 1.00 21.38 H new ATOM 796 1HG1 VAL A 50 -3.014 -0.239 5.331 1.00 19.44 H new ATOM 797 2HG1 VAL A 50 -1.275 -0.472 4.947 1.00 19.44 H new ATOM 798 3HG1 VAL A 50 -2.529 -0.947 3.753 1.00 19.44 H new ATOM 799 1HG2 VAL A 50 -4.433 -2.159 5.852 1.00 23.21 H new ATOM 800 2HG2 VAL A 50 -4.020 -2.967 4.302 1.00 23.21 H new ATOM 801 3HG2 VAL A 50 -3.760 -3.824 5.858 1.00 23.21 H new ATOM 802 N ILE A 51 -0.554 -5.055 6.162 1.00 21.37 N ATOM 803 CA ILE A 51 -0.560 -6.367 6.814 1.00 19.00 C ATOM 804 C ILE A 51 -0.712 -6.115 8.308 1.00 17.60 C ATOM 805 O ILE A 51 -0.065 -5.225 8.854 1.00 16.84 O ATOM 806 CB ILE A 51 0.766 -7.105 6.607 1.00 17.04 C ATOM 807 CG1 ILE A 51 1.086 -7.190 5.122 1.00 16.96 C ATOM 808 CG2 ILE A 51 0.689 -8.501 7.219 1.00 19.18 C ATOM 809 CD1 ILE A 51 2.494 -7.671 4.851 1.00 19.72 C ATOM 810 H ILE A 51 0.212 -4.475 6.441 1.00 21.37 H new ATOM 811 HA ILE A 51 -1.372 -6.977 6.391 1.00 19.00 H new ATOM 812 HB ILE A 51 1.571 -6.548 7.109 1.00 17.04 H new ATOM 813 1HG1 ILE A 51 0.371 -7.871 4.636 1.00 16.96 H new ATOM 814 2HG1 ILE A 51 0.948 -6.199 4.665 1.00 16.96 H new ATOM 815 1HG2 ILE A 51 1.645 -9.023 7.065 1.00 19.18 H new ATOM 816 2HG2 ILE A 51 0.486 -8.419 8.297 1.00 19.18 H new ATOM 817 3HG2 ILE A 51 -0.120 -9.069 6.736 1.00 19.18 H new ATOM 818 1HD1 ILE A 51 2.666 -7.712 3.765 1.00 19.72 H new ATOM 819 2HD1 ILE A 51 3.214 -6.977 5.310 1.00 19.72 H new ATOM 820 3HD1 ILE A 51 2.628 -8.675 5.281 1.00 19.72 H new ATOM 821 N MET A 52 -1.552 -6.899 8.972 1.00 18.60 N ATOM 822 CA MET A 52 -1.779 -6.715 10.402 1.00 19.62 C ATOM 823 C MET A 52 -2.181 -8.009 11.103 1.00 19.79 C ATOM 824 O MET A 52 -2.720 -8.930 10.485 1.00 20.34 O ATOM 825 CB MET A 52 -2.883 -5.675 10.614 1.00 20.14 C ATOM 826 CG MET A 52 -4.253 -6.161 10.160 1.00 20.93 C ATOM 827 SD MET A 52 -5.483 -4.856 9.965 1.00 22.47 S ATOM 828 CE MET A 52 -5.080 -4.238 8.328 1.00 17.55 C ATOM 829 H MET A 52 -2.072 -7.646 8.558 1.00 18.60 H new ATOM 830 HA MET A 52 -0.828 -6.376 10.840 1.00 19.62 H new ATOM 831 1HB MET A 52 -2.929 -5.410 11.680 1.00 20.14 H new ATOM 832 2HB MET A 52 -2.625 -4.757 10.065 1.00 20.14 H new ATOM 833 1HG MET A 52 -4.142 -6.688 9.201 1.00 20.93 H new ATOM 834 2HG MET A 52 -4.628 -6.895 10.889 1.00 20.93 H new ATOM 835 1HE MET A 52 -5.765 -3.418 8.066 1.00 17.55 H new ATOM 836 2HE MET A 52 -4.044 -3.867 8.320 1.00 17.55 H new ATOM 837 3HE MET A 52 -5.184 -5.050 7.593 1.00 17.55 H new ATOM 838 N GLY A 53 -1.917 -8.066 12.403 1.00 19.60 N ATOM 839 CA GLY A 53 -2.294 -9.230 13.175 1.00 17.64 C ATOM 840 C GLY A 53 -3.814 -9.288 13.261 1.00 18.60 C ATOM 841 O GLY A 53 -4.503 -8.307 12.988 1.00 16.78 O ATOM 842 H GLY A 53 -1.460 -7.344 12.922 1.00 19.60 H new ATOM 843 1HA GLY A 53 -1.904 -10.144 12.703 1.00 17.64 H new ATOM 844 2HA GLY A 53 -1.857 -9.177 14.183 1.00 17.64 H new ATOM 845 N ARG A 54 -4.338 -10.442 13.653 1.00 19.73 N ATOM 846 CA ARG A 54 -5.770 -10.629 13.751 1.00 21.04 C ATOM 847 C ARG A 54 -6.440 -9.794 14.841 1.00 22.10 C ATOM 848 O ARG A 54 -7.590 -9.372 14.683 1.00 24.15 O ATOM 849 CB ARG A 54 -6.064 -12.115 13.937 1.00 21.56 C ATOM 850 CG ARG A 54 -7.360 -12.420 14.656 1.00 23.04 C ATOM 851 CD ARG A 54 -7.045 -13.239 15.877 1.00 20.41 C ATOM 852 NE ARG A 54 -8.066 -13.103 16.895 1.00 26.30 N ATOM 853 CZ ARG A 54 -7.903 -13.479 18.154 1.00 27.08 C ATOM 854 NH1 ARG A 54 -6.753 -14.015 18.536 1.00 25.94 N ATOM 855 NH2 ARG A 54 -8.884 -13.304 19.032 1.00 32.60 N ATOM 856 H ARG A 54 -3.798 -11.245 13.903 1.00 19.73 H new ATOM 857 HA ARG A 54 -6.209 -10.264 12.811 1.00 21.04 H new ATOM 858 1HB ARG A 54 -6.088 -12.596 12.948 1.00 21.56 H new ATOM 859 2HB ARG A 54 -5.234 -12.571 14.497 1.00 21.56 H new ATOM 860 1HG ARG A 54 -7.868 -11.487 14.942 1.00 23.04 H new ATOM 861 2HG ARG A 54 -8.045 -12.969 13.993 1.00 23.04 H new ATOM 862 1HD ARG A 54 -6.949 -14.297 15.594 1.00 20.41 H new ATOM 863 2HD ARG A 54 -6.074 -12.926 16.288 1.00 20.41 H new ATOM 864 HE ARG A 54 -8.944 -12.702 16.632 1.00 26.30 H + new ATOM 865 1HH1 ARG A 54 -6.013 -14.134 17.874 1.00 25.94 H + new ATOM 866 2HH1 ARG A 54 -6.625 -14.300 19.486 1.00 25.94 H + new ATOM 867 1HH2 ARG A 54 -9.746 -12.888 18.742 1.00 32.60 H + new ATOM 868 2HH2 ARG A 54 -8.761 -13.588 19.983 1.00 32.60 H + new ATOM 869 N LYS A 55 -5.749 -9.557 15.950 1.00 20.46 N ATOM 870 CA LYS A 55 -6.355 -8.747 16.997 1.00 21.50 C ATOM 871 C LYS A 55 -6.482 -7.322 16.494 1.00 20.68 C ATOM 872 O LYS A 55 -7.433 -6.623 16.835 1.00 23.28 O ATOM 873 CB LYS A 55 -5.523 -8.756 18.286 1.00 24.71 C ATOM 874 CG LYS A 55 -5.589 -10.052 19.072 1.00 30.75 C ATOM 875 CD LYS A 55 -4.909 -9.902 20.428 1.00 36.09 C ATOM 876 CE LYS A 55 -4.623 -11.260 21.072 1.00 38.16 C ATOM 877 NZ LYS A 55 -5.860 -12.069 21.287 1.00 41.93 N ATOM 878 H LYS A 55 -4.826 -9.892 16.140 1.00 20.46 H new ATOM 879 HA LYS A 55 -7.341 -9.172 17.235 1.00 21.50 H new ATOM 880 1HB LYS A 55 -4.473 -8.551 18.030 1.00 24.71 H new ATOM 881 2HB LYS A 55 -5.863 -7.933 18.932 1.00 24.71 H new ATOM 882 1HG LYS A 55 -6.639 -10.346 19.214 1.00 30.75 H new ATOM 883 2HG LYS A 55 -5.104 -10.857 18.501 1.00 30.75 H new ATOM 884 1HD LYS A 55 -3.967 -9.348 20.307 1.00 36.09 H new ATOM 885 2HD LYS A 55 -5.549 -9.307 21.096 1.00 36.09 H new ATOM 886 1HE LYS A 55 -3.927 -11.824 20.434 1.00 38.16 H new ATOM 887 2HE LYS A 55 -4.119 -11.104 22.038 1.00 38.16 H new ATOM 888 1HZ LYS A 55 -5.850 -12.455 22.209 1.00 41.93 H + new ATOM 889 2HZ LYS A 55 -6.664 -11.484 21.179 1.00 41.93 H + new ATOM 890 3HZ LYS A 55 -5.895 -12.810 20.616 1.00 41.93 H + new ATOM 891 N THR A 56 -5.520 -6.884 15.687 1.00 20.52 N ATOM 892 CA THR A 56 -5.563 -5.527 15.145 1.00 19.50 C ATOM 893 C THR A 56 -6.740 -5.399 14.173 1.00 18.54 C ATOM 894 O THR A 56 -7.477 -4.420 14.198 1.00 20.29 O ATOM 895 CB THR A 56 -4.234 -5.176 14.443 1.00 17.60 C ATOM 896 OG1 THR A 56 -3.167 -5.308 15.387 1.00 17.82 O ATOM 897 CG2 THR A 56 -4.252 -3.745 13.912 1.00 11.89 C ATOM 898 H THR A 56 -4.729 -7.426 15.403 1.00 20.52 H new ATOM 899 HA THR A 56 -5.704 -4.816 15.973 1.00 19.50 H new ATOM 900 HB THR A 56 -4.093 -5.860 13.593 1.00 17.60 H new ATOM 901 HG1 THR A 56 -2.602 -4.483 15.369 1.00 17.82 H new ATOM 902 1HG2 THR A 56 -3.294 -3.524 13.418 1.00 11.89 H new ATOM 903 2HG2 THR A 56 -5.072 -3.633 13.187 1.00 11.89 H new ATOM 904 3HG2 THR A 56 -4.403 -3.045 14.747 1.00 11.89 H new ATOM 905 N TRP A 57 -6.927 -6.409 13.338 1.00 16.25 N ATOM 906 CA TRP A 57 -8.020 -6.407 12.389 1.00 16.56 C ATOM 907 C TRP A 57 -9.370 -6.104 13.053 1.00 17.60 C ATOM 908 O TRP A 57 -10.089 -5.191 12.637 1.00 17.44 O ATOM 909 CB TRP A 57 -8.086 -7.762 11.682 1.00 17.99 C ATOM 910 CG TRP A 57 -9.281 -7.900 10.799 1.00 17.33 C ATOM 911 CD1 TRP A 57 -10.420 -8.623 11.050 1.00 16.95 C ATOM 912 CD2 TRP A 57 -9.482 -7.252 9.542 1.00 18.52 C ATOM 913 NE1 TRP A 57 -11.317 -8.460 10.020 1.00 16.24 N ATOM 914 CE2 TRP A 57 -10.767 -7.623 9.082 1.00 17.40 C ATOM 915 CE3 TRP A 57 -8.699 -6.387 8.755 1.00 15.13 C ATOM 916 CZ2 TRP A 57 -11.286 -7.158 7.870 1.00 13.33 C ATOM 917 CZ3 TRP A 57 -9.210 -5.931 7.564 1.00 8.84 C ATOM 918 CH2 TRP A 57 -10.494 -6.316 7.128 1.00 13.37 C ATOM 919 H TRP A 57 -6.346 -7.222 13.302 1.00 16.25 H new ATOM 920 HA TRP A 57 -7.825 -5.605 11.661 1.00 16.56 H new ATOM 921 1HB TRP A 57 -7.175 -7.901 11.081 1.00 17.99 H new ATOM 922 2HB TRP A 57 -8.099 -8.563 12.436 1.00 17.99 H new ATOM 923 HD1 TRP A 57 -10.591 -9.242 11.943 1.00 16.95 H new ATOM 924 HE1 TRP A 57 -12.222 -8.882 9.964 1.00 16.24 H new ATOM 925 HE3 TRP A 57 -7.696 -6.082 9.087 1.00 15.13 H new ATOM 926 HZ2 TRP A 57 -12.288 -7.454 7.525 1.00 13.33 H new ATOM 927 HZ3 TRP A 57 -8.607 -5.254 6.940 1.00 8.84 H new ATOM 928 HH2 TRP A 57 -10.872 -5.932 6.169 1.00 13.37 H new ATOM 929 N PHE A 58 -9.718 -6.867 14.085 1.00 17.02 N ATOM 930 CA PHE A 58 -10.997 -6.661 14.747 1.00 16.58 C ATOM 931 C PHE A 58 -11.031 -5.451 15.668 1.00 19.92 C ATOM 932 O PHE A 58 -12.062 -5.150 16.264 1.00 22.21 O ATOM 933 CB PHE A 58 -11.408 -7.913 15.515 1.00 15.82 C ATOM 934 CG PHE A 58 -11.635 -9.118 14.641 1.00 18.92 C ATOM 935 CD1 PHE A 58 -10.660 -10.106 14.524 1.00 20.71 C ATOM 936 CD2 PHE A 58 -12.828 -9.273 13.939 1.00 19.53 C ATOM 937 CE1 PHE A 58 -10.869 -11.241 13.715 1.00 22.38 C ATOM 938 CE2 PHE A 58 -13.052 -10.393 13.132 1.00 23.10 C ATOM 939 CZ PHE A 58 -12.068 -11.382 13.021 1.00 23.49 C ATOM 940 H PHE A 58 -9.157 -7.602 14.465 1.00 17.02 H new ATOM 941 HA PHE A 58 -11.719 -6.456 13.943 1.00 16.58 H new ATOM 942 1HB PHE A 58 -10.629 -8.150 16.254 1.00 15.82 H new ATOM 943 2HB PHE A 58 -12.330 -7.701 16.076 1.00 15.82 H new ATOM 944 HD1 PHE A 58 -9.712 -9.999 15.072 1.00 20.71 H new ATOM 945 HD2 PHE A 58 -13.607 -8.501 14.021 1.00 19.53 H new ATOM 946 HE1 PHE A 58 -10.089 -12.012 13.632 1.00 22.38 H new ATOM 947 HE2 PHE A 58 -14.001 -10.497 12.585 1.00 23.10 H new ATOM 948 HZ PHE A 58 -12.241 -12.266 12.389 1.00 23.49 H new ATOM 949 N SER A 59 -9.905 -4.751 15.784 1.00 24.89 N ATOM 950 CA SER A 59 -9.843 -3.552 16.622 1.00 25.90 C ATOM 951 C SER A 59 -10.388 -2.379 15.813 1.00 25.61 C ATOM 952 O SER A 59 -10.971 -1.457 16.374 1.00 26.75 O ATOM 953 CB SER A 59 -8.403 -3.246 17.066 1.00 27.02 C ATOM 954 OG SER A 59 -7.953 -4.160 18.053 1.00 28.83 O ATOM 955 H SER A 59 -9.048 -4.984 15.324 1.00 24.89 H new ATOM 956 HA SER A 59 -10.442 -3.718 17.530 1.00 25.90 H new ATOM 957 1HB SER A 59 -8.351 -2.222 17.463 1.00 27.02 H new ATOM 958 2HB SER A 59 -7.733 -3.288 16.194 1.00 27.02 H new ATOM 959 HG SER A 59 -7.735 -5.036 17.622 1.00 28.83 H new ATOM 960 N ILE A 60 -10.199 -2.421 14.495 1.00 23.67 N ATOM 961 CA ILE A 60 -10.684 -1.363 13.617 1.00 22.74 C ATOM 962 C ILE A 60 -12.211 -1.385 13.628 1.00 24.60 C ATOM 963 O ILE A 60 -12.825 -2.454 13.513 1.00 23.14 O ATOM 964 CB ILE A 60 -10.205 -1.580 12.171 1.00 22.67 C ATOM 965 CG1 ILE A 60 -8.691 -1.773 12.146 1.00 20.33 C ATOM 966 CG2 ILE A 60 -10.612 -0.396 11.296 1.00 20.42 C ATOM 967 CD1 ILE A 60 -8.159 -2.113 10.772 1.00 18.39 C ATOM 968 H ILE A 60 -9.722 -3.163 14.023 1.00 23.67 H new ATOM 969 HA ILE A 60 -10.295 -0.400 13.978 1.00 22.74 H new ATOM 970 HB ILE A 60 -10.680 -2.487 11.769 1.00 22.67 H new ATOM 971 1HG1 ILE A 60 -8.204 -0.854 12.504 1.00 20.33 H new ATOM 972 2HG1 ILE A 60 -8.418 -2.575 12.847 1.00 20.33 H new ATOM 973 1HG2 ILE A 60 -10.264 -0.564 10.266 1.00 20.42 H new ATOM 974 2HG2 ILE A 60 -11.707 -0.296 11.300 1.00 20.42 H new ATOM 975 3HG2 ILE A 60 -10.158 0.525 11.690 1.00 20.42 H new ATOM 976 1HD1 ILE A 60 -7.067 -2.239 10.822 1.00 18.39 H new ATOM 977 2HD1 ILE A 60 -8.620 -3.048 10.421 1.00 18.39 H new ATOM 978 3HD1 ILE A 60 -8.402 -1.300 10.072 1.00 18.39 H new ATOM 979 N PRO A 61 -12.850 -0.208 13.771 1.00 25.75 N ATOM 980 CA PRO A 61 -14.318 -0.165 13.788 1.00 25.04 C ATOM 981 C PRO A 61 -14.818 -0.952 12.592 1.00 24.91 C ATOM 982 O PRO A 61 -14.282 -0.800 11.502 1.00 26.79 O ATOM 983 CB PRO A 61 -14.619 1.321 13.659 1.00 24.47 C ATOM 984 CG PRO A 61 -13.456 1.956 14.328 1.00 24.70 C ATOM 985 CD PRO A 61 -12.289 1.153 13.815 1.00 25.32 C ATOM 986 HA PRO A 61 -14.794 -0.597 14.681 1.00 25.04 H new ATOM 987 1HB PRO A 61 -14.702 1.630 12.607 1.00 24.47 H new ATOM 988 2HB PRO A 61 -15.567 1.589 14.149 1.00 24.47 H new ATOM 989 1HG PRO A 61 -13.365 3.020 14.064 1.00 24.70 H new ATOM 990 2HG PRO A 61 -13.537 1.902 15.424 1.00 24.70 H new ATOM 991 1HD PRO A 61 -11.959 1.494 12.823 1.00 25.32 H new ATOM 992 2HD PRO A 61 -11.418 1.218 14.484 1.00 25.32 H new ATOM 993 N GLU A 62 -15.827 -1.792 12.781 1.00 25.16 N ATOM 994 CA GLU A 62 -16.336 -2.584 11.670 1.00 26.40 C ATOM 995 C GLU A 62 -16.665 -1.766 10.420 1.00 27.70 C ATOM 996 O GLU A 62 -16.454 -2.232 9.299 1.00 26.80 O ATOM 997 CB GLU A 62 -17.574 -3.366 12.091 1.00 27.17 C ATOM 998 CG GLU A 62 -17.810 -4.590 11.223 1.00 32.07 C ATOM 999 CD GLU A 62 -19.027 -5.408 11.642 1.00 35.20 C ATOM 1000 OE1 GLU A 62 -19.218 -5.626 12.860 1.00 37.34 O ATOM 1001 OE2 GLU A 62 -19.783 -5.845 10.746 1.00 38.28 O ATOM 1002 H GLU A 62 -16.291 -1.938 13.655 1.00 25.16 H new ATOM 1003 HA GLU A 62 -15.517 -3.267 11.402 1.00 26.40 H new ATOM 1004 1HB GLU A 62 -17.467 -3.679 13.140 1.00 27.17 H new ATOM 1005 2HB GLU A 62 -18.454 -2.709 12.040 1.00 27.17 H new ATOM 1006 1HG GLU A 62 -17.936 -4.270 10.178 1.00 32.07 H new ATOM 1007 2HG GLU A 62 -16.917 -5.232 11.258 1.00 32.07 H new ATOM 1008 N LYS A 63 -17.167 -0.546 10.594 1.00 30.48 N ATOM 1009 CA LYS A 63 -17.508 0.256 9.421 1.00 32.57 C ATOM 1010 C LYS A 63 -16.299 0.873 8.715 1.00 33.96 C ATOM 1011 O LYS A 63 -16.442 1.465 7.641 1.00 33.81 O ATOM 1012 CB LYS A 63 -18.534 1.343 9.765 1.00 32.32 C ATOM 1013 CG LYS A 63 -18.011 2.549 10.497 1.00 31.98 C ATOM 1014 CD LYS A 63 -17.596 2.205 11.899 1.00 34.32 C ATOM 1015 CE LYS A 63 -17.477 3.464 12.745 1.00 37.43 C ATOM 1016 NZ LYS A 63 -18.794 4.151 12.902 1.00 39.26 N ATOM 1017 H LYS A 63 -17.338 -0.113 11.479 1.00 30.48 H new ATOM 1018 HA LYS A 63 -17.955 -0.453 8.709 1.00 32.57 H new ATOM 1019 1HB LYS A 63 -19.002 1.684 8.830 1.00 32.32 H new ATOM 1020 2HB LYS A 63 -19.328 0.887 10.375 1.00 32.32 H new ATOM 1021 1HG LYS A 63 -17.153 2.967 9.951 1.00 31.98 H new ATOM 1022 2HG LYS A 63 -18.786 3.329 10.523 1.00 31.98 H new ATOM 1023 1HD LYS A 63 -18.332 1.522 12.349 1.00 34.32 H new ATOM 1024 2HD LYS A 63 -16.633 1.674 11.883 1.00 34.32 H new ATOM 1025 1HE LYS A 63 -17.078 3.204 13.737 1.00 37.43 H new ATOM 1026 2HE LYS A 63 -16.757 4.153 12.279 1.00 37.43 H new ATOM 1027 1HZ LYS A 63 -18.963 4.331 13.871 1.00 39.26 H + new ATOM 1028 2HZ LYS A 63 -18.781 5.016 12.400 1.00 39.26 H + new ATOM 1029 3HZ LYS A 63 -19.520 3.567 12.540 1.00 39.26 H + new ATOM 1030 N ASN A 64 -15.115 0.731 9.310 1.00 34.69 N ATOM 1031 CA ASN A 64 -13.884 1.248 8.707 1.00 34.66 C ATOM 1032 C ASN A 64 -13.056 0.072 8.200 1.00 34.20 C ATOM 1033 O ASN A 64 -11.877 0.215 7.879 1.00 36.30 O ATOM 1034 CB ASN A 64 -13.067 2.062 9.717 1.00 35.56 C ATOM 1035 CG ASN A 64 -13.741 3.370 10.092 1.00 36.16 C ATOM 1036 OD1 ASN A 64 -14.761 3.743 9.517 1.00 37.65 O ATOM 1037 ND2 ASN A 64 -13.167 4.078 11.057 1.00 37.48 N ATOM 1038 H ASN A 64 -14.983 0.273 10.189 1.00 34.69 H new ATOM 1039 HA ASN A 64 -14.150 1.917 7.875 1.00 34.66 H new ATOM 1040 1HB ASN A 64 -12.909 1.461 10.625 1.00 35.56 H new ATOM 1041 2HB ASN A 64 -12.074 2.273 9.294 1.00 35.56 H new ATOM 1042 1HD2 ASN A 64 -13.565 4.951 11.341 1.00 37.48 H new ATOM 1043 2HD2 ASN A 64 -12.337 3.739 11.500 1.00 37.48 H new ATOM 1044 N ARG A 65 -13.694 -1.093 8.143 1.00 31.72 N ATOM 1045 CA ARG A 65 -13.060 -2.315 7.665 1.00 30.00 C ATOM 1046 C ARG A 65 -13.716 -2.723 6.362 1.00 28.94 C ATOM 1047 O ARG A 65 -14.939 -2.753 6.270 1.00 30.26 O ATOM 1048 CB ARG A 65 -13.241 -3.451 8.673 1.00 28.61 C ATOM 1049 CG ARG A 65 -12.169 -3.552 9.728 1.00 25.93 C ATOM 1050 CD ARG A 65 -12.348 -4.824 10.504 1.00 24.99 C ATOM 1051 NE ARG A 65 -13.124 -4.614 11.716 1.00 27.17 N ATOM 1052 CZ ARG A 65 -13.939 -5.516 12.248 1.00 23.90 C ATOM 1053 NH1 ARG A 65 -14.591 -5.234 13.358 1.00 25.11 N ATOM 1054 NH2 ARG A 65 -14.125 -6.686 11.659 1.00 24.27 N ATOM 1055 H ARG A 65 -14.647 -1.213 8.422 1.00 31.72 H new ATOM 1056 HA ARG A 65 -11.985 -2.126 7.527 1.00 30.00 H new ATOM 1057 1HB ARG A 65 -14.213 -3.325 9.172 1.00 28.61 H new ATOM 1058 2HB ARG A 65 -13.283 -4.403 8.124 1.00 28.61 H new ATOM 1059 1HG ARG A 65 -11.174 -3.533 9.259 1.00 25.93 H new ATOM 1060 2HG ARG A 65 -12.222 -2.686 10.405 1.00 25.93 H new ATOM 1061 1HD ARG A 65 -12.850 -5.571 9.872 1.00 24.99 H new ATOM 1062 2HD ARG A 65 -11.362 -5.235 10.767 1.00 24.99 H new ATOM 1063 HE ARG A 65 -13.038 -3.732 12.179 1.00 27.17 H + new ATOM 1064 1HH1 ARG A 65 -14.471 -4.343 13.796 1.00 25.11 H + new ATOM 1065 2HH1 ARG A 65 -15.206 -5.911 13.762 1.00 25.11 H + new ATOM 1066 1HH2 ARG A 65 -13.649 -6.897 10.805 1.00 24.27 H + new ATOM 1067 2HH2 ARG A 65 -14.741 -7.359 12.068 1.00 24.27 H + new ATOM 1068 N PRO A 66 -12.918 -3.030 5.331 1.00 28.75 N ATOM 1069 CA PRO A 66 -11.451 -3.025 5.286 1.00 28.65 C ATOM 1070 C PRO A 66 -10.944 -1.604 5.080 1.00 29.40 C ATOM 1071 O PRO A 66 -11.662 -0.755 4.543 1.00 31.10 O ATOM 1072 CB PRO A 66 -11.124 -3.889 4.066 1.00 27.14 C ATOM 1073 CG PRO A 66 -12.400 -4.577 3.744 1.00 30.34 C ATOM 1074 CD PRO A 66 -13.457 -3.592 4.088 1.00 29.00 C ATOM 1075 HA PRO A 66 -10.987 -3.399 6.210 1.00 28.65 H new ATOM 1076 1HB PRO A 66 -10.776 -3.275 3.222 1.00 27.14 H new ATOM 1077 2HB PRO A 66 -10.325 -4.611 4.289 1.00 27.14 H new ATOM 1078 1HG PRO A 66 -12.446 -4.857 2.681 1.00 30.34 H new ATOM 1079 2HG PRO A 66 -12.512 -5.503 4.326 1.00 30.34 H new ATOM 1080 1HD PRO A 66 -13.585 -2.828 3.307 1.00 29.00 H new ATOM 1081 2HD PRO A 66 -14.438 -4.068 4.237 1.00 29.00 H new ATOM 1082 N LEU A 67 -9.708 -1.348 5.494 1.00 28.11 N ATOM 1083 CA LEU A 67 -9.139 -0.027 5.318 1.00 26.41 C ATOM 1084 C LEU A 67 -9.188 0.245 3.817 1.00 26.05 C ATOM 1085 O LEU A 67 -8.630 -0.493 3.002 1.00 25.38 O ATOM 1086 CB LEU A 67 -7.714 0.020 5.883 1.00 23.13 C ATOM 1087 CG LEU A 67 -7.650 -0.306 7.388 1.00 21.05 C ATOM 1088 CD1 LEU A 67 -6.203 -0.304 7.865 1.00 21.66 C ATOM 1089 CD2 LEU A 67 -8.474 0.701 8.185 1.00 17.60 C ATOM 1090 H LEU A 67 -9.107 -2.013 5.936 1.00 28.11 H new ATOM 1091 HA LEU A 67 -9.696 0.749 5.863 1.00 26.41 H new ATOM 1092 1HB LEU A 67 -7.084 -0.694 5.332 1.00 23.13 H new ATOM 1093 2HB LEU A 67 -7.291 1.021 5.712 1.00 23.13 H new ATOM 1094 HG LEU A 67 -8.073 -1.308 7.550 1.00 21.05 H new ATOM 1095 1HD1 LEU A 67 -6.170 -0.538 8.939 1.00 21.66 H new ATOM 1096 2HD1 LEU A 67 -5.632 -1.061 7.308 1.00 21.66 H new ATOM 1097 3HD1 LEU A 67 -5.761 0.688 7.692 1.00 21.66 H new ATOM 1098 1HD2 LEU A 67 -8.419 0.455 9.256 1.00 17.60 H new ATOM 1099 2HD2 LEU A 67 -8.076 1.713 8.020 1.00 17.60 H new ATOM 1100 3HD2 LEU A 67 -9.522 0.661 7.854 1.00 17.60 H new ATOM 1101 N LYS A 68 -9.913 1.303 3.482 1.00 26.96 N ATOM 1102 CA LYS A 68 -10.154 1.749 2.118 1.00 28.37 C ATOM 1103 C LYS A 68 -8.934 2.169 1.310 1.00 27.89 C ATOM 1104 O LYS A 68 -8.021 2.810 1.828 1.00 27.45 O ATOM 1105 CB LYS A 68 -11.166 2.900 2.143 1.00 30.63 C ATOM 1106 CG LYS A 68 -11.369 3.488 3.536 1.00 36.51 C ATOM 1107 CD LYS A 68 -12.098 2.493 4.459 1.00 36.19 C ATOM 1108 CE LYS A 68 -11.888 2.799 5.940 1.00 32.77 C ATOM 1109 NZ LYS A 68 -10.476 2.609 6.339 1.00 30.06 N ATOM 1110 H LYS A 68 -10.357 1.884 4.165 1.00 26.96 H new ATOM 1111 HA LYS A 68 -10.533 0.859 1.595 1.00 28.37 H new ATOM 1112 1HB LYS A 68 -10.826 3.694 1.462 1.00 30.63 H new ATOM 1113 2HB LYS A 68 -12.132 2.539 1.759 1.00 30.63 H new ATOM 1114 1HG LYS A 68 -10.394 3.751 3.972 1.00 36.51 H new ATOM 1115 2HG LYS A 68 -11.950 4.419 3.463 1.00 36.51 H new ATOM 1116 1HD LYS A 68 -13.175 2.512 4.234 1.00 36.19 H new ATOM 1117 2HD LYS A 68 -11.743 1.474 4.246 1.00 36.19 H new ATOM 1118 1HE LYS A 68 -12.193 3.835 6.149 1.00 32.77 H new ATOM 1119 2HE LYS A 68 -12.533 2.145 6.546 1.00 32.77 H new ATOM 1120 1HZ LYS A 68 -10.418 1.889 7.030 1.00 30.06 H + new ATOM 1121 2HZ LYS A 68 -9.936 2.347 5.539 1.00 30.06 H + new ATOM 1122 3HZ LYS A 68 -10.118 3.463 6.717 1.00 30.06 H + new ATOM 1123 N ASP A 69 -8.962 1.800 0.027 1.00 28.55 N ATOM 1124 CA ASP A 69 -7.915 2.099 -0.954 1.00 28.34 C ATOM 1125 C ASP A 69 -6.626 1.368 -0.676 1.00 26.04 C ATOM 1126 O ASP A 69 -5.593 1.664 -1.267 1.00 28.41 O ATOM 1127 CB ASP A 69 -7.647 3.599 -1.012 1.00 32.49 C ATOM 1128 CG ASP A 69 -8.896 4.390 -1.314 1.00 35.69 C ATOM 1129 OD1 ASP A 69 -9.557 4.075 -2.327 1.00 36.27 O ATOM 1130 OD2 ASP A 69 -9.216 5.319 -0.536 1.00 39.98 O ATOM 1131 H ASP A 69 -9.722 1.279 -0.362 1.00 28.55 H new ATOM 1132 HA ASP A 69 -8.292 1.748 -1.926 1.00 28.34 H new ATOM 1133 1HB ASP A 69 -7.227 3.932 -0.051 1.00 32.49 H new ATOM 1134 2HB ASP A 69 -6.889 3.805 -1.783 1.00 32.49 H new ATOM 1135 N ARG A 70 -6.699 0.402 0.226 1.00 22.97 N ATOM 1136 CA ARG A 70 -5.539 -0.379 0.592 1.00 21.07 C ATOM 1137 C ARG A 70 -5.924 -1.841 0.535 1.00 18.16 C ATOM 1138 O ARG A 70 -7.072 -2.187 0.760 1.00 15.26 O ATOM 1139 CB ARG A 70 -5.088 -0.012 2.012 1.00 21.18 C ATOM 1140 CG ARG A 70 -4.304 1.279 2.107 1.00 20.49 C ATOM 1141 CD ARG A 70 -4.541 1.969 3.431 1.00 19.30 C ATOM 1142 NE ARG A 70 -5.920 2.436 3.531 1.00 19.81 N ATOM 1143 CZ ARG A 70 -6.410 3.133 4.554 1.00 21.73 C ATOM 1144 NH1 ARG A 70 -5.635 3.452 5.581 1.00 18.52 N ATOM 1145 NH2 ARG A 70 -7.678 3.523 4.550 1.00 21.80 N ATOM 1146 H ARG A 70 -7.538 0.148 0.707 1.00 22.97 H new ATOM 1147 HA ARG A 70 -4.708 -0.175 -0.099 1.00 21.07 H new ATOM 1148 1HB ARG A 70 -5.976 0.065 2.657 1.00 21.18 H new ATOM 1149 2HB ARG A 70 -4.471 -0.831 2.410 1.00 21.18 H new ATOM 1150 1HG ARG A 70 -3.231 1.069 1.987 1.00 20.49 H new ATOM 1151 2HG ARG A 70 -4.595 1.949 1.284 1.00 20.49 H new ATOM 1152 1HD ARG A 70 -4.323 1.275 4.256 1.00 19.30 H new ATOM 1153 2HD ARG A 70 -3.852 2.820 3.535 1.00 19.30 H new ATOM 1154 HE ARG A 70 -6.541 2.217 2.778 1.00 19.81 H + new ATOM 1155 1HH1 ARG A 70 -4.676 3.169 5.591 1.00 18.52 H + new ATOM 1156 2HH1 ARG A 70 -6.009 3.976 6.346 1.00 18.52 H + new ATOM 1157 1HH2 ARG A 70 -8.269 3.294 3.777 1.00 21.80 H + new ATOM 1158 2HH2 ARG A 70 -8.043 4.046 5.320 1.00 21.80 H + new ATOM 1159 N ILE A 71 -4.958 -2.690 0.214 1.00 16.31 N ATOM 1160 CA ILE A 71 -5.190 -4.119 0.165 1.00 17.64 C ATOM 1161 C ILE A 71 -4.914 -4.564 1.590 1.00 18.05 C ATOM 1162 O ILE A 71 -3.865 -4.253 2.138 1.00 21.35 O ATOM 1163 CB ILE A 71 -4.221 -4.806 -0.847 1.00 16.58 C ATOM 1164 CG1 ILE A 71 -4.488 -4.263 -2.256 1.00 14.85 C ATOM 1165 CG2 ILE A 71 -4.420 -6.314 -0.841 1.00 12.36 C ATOM 1166 CD1 ILE A 71 -3.455 -4.660 -3.263 1.00 19.44 C ATOM 1167 H ILE A 71 -4.024 -2.414 -0.012 1.00 16.31 H new ATOM 1168 HA ILE A 71 -6.202 -4.385 -0.175 1.00 17.64 H new ATOM 1169 HB ILE A 71 -3.185 -4.586 -0.549 1.00 16.58 H new ATOM 1170 1HG1 ILE A 71 -5.472 -4.618 -2.595 1.00 14.85 H new ATOM 1171 2HG1 ILE A 71 -4.540 -3.165 -2.212 1.00 14.85 H new ATOM 1172 1HG2 ILE A 71 -3.729 -6.778 -1.560 1.00 12.36 H new ATOM 1173 2HG2 ILE A 71 -4.219 -6.707 0.167 1.00 12.36 H new ATOM 1174 3HG2 ILE A 71 -5.456 -6.549 -1.126 1.00 12.36 H new ATOM 1175 1HD1 ILE A 71 -3.715 -4.234 -4.243 1.00 19.44 H new ATOM 1176 2HD1 ILE A 71 -2.471 -4.281 -2.949 1.00 19.44 H new ATOM 1177 3HD1 ILE A 71 -3.418 -5.757 -3.338 1.00 19.44 H new ATOM 1178 N ASN A 72 -5.866 -5.261 2.200 1.00 19.61 N ATOM 1179 CA ASN A 72 -5.731 -5.714 3.584 1.00 21.01 C ATOM 1180 C ASN A 72 -5.467 -7.204 3.770 1.00 21.12 C ATOM 1181 O ASN A 72 -6.335 -8.028 3.475 1.00 20.97 O ATOM 1182 CB ASN A 72 -6.992 -5.373 4.389 1.00 20.94 C ATOM 1183 CG ASN A 72 -7.302 -3.889 4.404 1.00 24.65 C ATOM 1184 OD1 ASN A 72 -8.000 -3.405 5.297 1.00 22.77 O ATOM 1185 ND2 ASN A 72 -6.799 -3.159 3.411 1.00 26.95 N ATOM 1186 H ASN A 72 -6.728 -5.522 1.765 1.00 19.61 H new ATOM 1187 HA ASN A 72 -4.840 -5.179 3.944 1.00 21.01 H new ATOM 1188 1HB ASN A 72 -7.849 -5.917 3.965 1.00 20.94 H new ATOM 1189 2HB ASN A 72 -6.867 -5.726 5.423 1.00 20.94 H new ATOM 1190 1HD2 ASN A 72 -6.983 -2.177 3.370 1.00 26.95 H new ATOM 1191 2HD2 ASN A 72 -6.237 -3.593 2.707 1.00 26.95 H new ATOM 1192 N ILE A 73 -4.275 -7.544 4.262 1.00 19.94 N ATOM 1193 CA ILE A 73 -3.936 -8.941 4.546 1.00 16.72 C ATOM 1194 C ILE A 73 -3.994 -9.145 6.065 1.00 16.55 C ATOM 1195 O ILE A 73 -3.341 -8.426 6.808 1.00 16.17 O ATOM 1196 CB ILE A 73 -2.508 -9.305 4.086 1.00 11.68 C ATOM 1197 CG1 ILE A 73 -2.365 -9.093 2.581 1.00 15.70 C ATOM 1198 CG2 ILE A 73 -2.210 -10.748 4.415 1.00 7.54 C ATOM 1199 CD1 ILE A 73 -1.086 -9.702 1.983 1.00 13.61 C ATOM 1200 H ILE A 73 -3.547 -6.890 4.467 1.00 19.94 H new ATOM 1201 HA ILE A 73 -4.650 -9.578 4.003 1.00 16.72 H new ATOM 1202 HB ILE A 73 -1.796 -8.653 4.614 1.00 11.68 H new ATOM 1203 1HG1 ILE A 73 -3.238 -9.530 2.075 1.00 15.70 H new ATOM 1204 2HG1 ILE A 73 -2.378 -8.013 2.370 1.00 15.70 H new ATOM 1205 1HG2 ILE A 73 -1.191 -10.997 4.084 1.00 7.54 H new ATOM 1206 2HG2 ILE A 73 -2.289 -10.901 5.501 1.00 7.54 H new ATOM 1207 3HG2 ILE A 73 -2.932 -11.399 3.900 1.00 7.54 H new ATOM 1208 1HD1 ILE A 73 -1.058 -9.507 0.901 1.00 13.61 H new ATOM 1209 2HD1 ILE A 73 -0.205 -9.247 2.460 1.00 13.61 H new ATOM 1210 3HD1 ILE A 73 -1.079 -10.788 2.160 1.00 13.61 H new ATOM 1211 N VAL A 74 -4.792 -10.104 6.526 1.00 19.56 N ATOM 1212 CA VAL A 74 -4.885 -10.407 7.967 1.00 19.35 C ATOM 1213 C VAL A 74 -4.042 -11.660 8.235 1.00 19.83 C ATOM 1214 O VAL A 74 -4.075 -12.607 7.444 1.00 19.09 O ATOM 1215 CB VAL A 74 -6.335 -10.722 8.413 1.00 17.41 C ATOM 1216 CG1 VAL A 74 -6.362 -11.078 9.894 1.00 16.87 C ATOM 1217 CG2 VAL A 74 -7.234 -9.540 8.147 1.00 16.32 C ATOM 1218 H VAL A 74 -5.372 -10.675 5.945 1.00 19.56 H new ATOM 1219 HA VAL A 74 -4.535 -9.525 8.523 1.00 19.35 H new ATOM 1220 HB VAL A 74 -6.703 -11.581 7.833 1.00 17.41 H new ATOM 1221 1HG1 VAL A 74 -7.395 -11.300 10.200 1.00 16.87 H new ATOM 1222 2HG1 VAL A 74 -5.730 -11.961 10.071 1.00 16.87 H new ATOM 1223 3HG1 VAL A 74 -5.980 -10.231 10.482 1.00 16.87 H new ATOM 1224 1HG2 VAL A 74 -8.259 -9.778 8.468 1.00 16.32 H new ATOM 1225 2HG2 VAL A 74 -6.868 -8.667 8.707 1.00 16.32 H new ATOM 1226 3HG2 VAL A 74 -7.232 -9.312 7.071 1.00 16.32 H new ATOM 1227 N LEU A 75 -3.280 -11.658 9.331 1.00 20.29 N ATOM 1228 CA LEU A 75 -2.453 -12.812 9.702 1.00 17.37 C ATOM 1229 C LEU A 75 -3.139 -13.545 10.847 1.00 16.38 C ATOM 1230 O LEU A 75 -3.600 -12.923 11.802 1.00 14.51 O ATOM 1231 CB LEU A 75 -1.071 -12.373 10.169 1.00 17.09 C ATOM 1232 CG LEU A 75 -0.200 -11.503 9.272 1.00 17.00 C ATOM 1233 CD1 LEU A 75 1.156 -11.352 9.960 1.00 17.72 C ATOM 1234 CD2 LEU A 75 -0.043 -12.125 7.890 1.00 17.69 C ATOM 1235 H LEU A 75 -3.219 -10.887 9.965 1.00 20.29 H new ATOM 1236 HA LEU A 75 -2.336 -13.461 8.821 1.00 17.37 H new ATOM 1237 1HB LEU A 75 -1.204 -11.833 11.118 1.00 17.09 H new ATOM 1238 2HB LEU A 75 -0.498 -13.285 10.395 1.00 17.09 H new ATOM 1239 HG LEU A 75 -0.668 -10.519 9.124 1.00 17.00 H new ATOM 1240 1HD1 LEU A 75 1.815 -10.727 9.339 1.00 17.72 H new ATOM 1241 2HD1 LEU A 75 1.018 -10.876 10.942 1.00 17.72 H new ATOM 1242 3HD1 LEU A 75 1.612 -12.344 10.095 1.00 17.72 H new ATOM 1243 1HD2 LEU A 75 0.589 -11.477 7.265 1.00 17.69 H new ATOM 1244 2HD2 LEU A 75 0.428 -13.115 7.984 1.00 17.69 H new ATOM 1245 3HD2 LEU A 75 -1.032 -12.233 7.421 1.00 17.69 H new ATOM 1246 N SER A 76 -3.211 -14.867 10.758 1.00 19.02 N ATOM 1247 CA SER A 76 -3.865 -15.644 11.807 1.00 20.90 C ATOM 1248 C SER A 76 -3.556 -17.114 11.658 1.00 23.65 C ATOM 1249 O SER A 76 -3.535 -17.641 10.547 1.00 26.88 O ATOM 1250 CB SER A 76 -5.381 -15.442 11.756 1.00 20.15 C ATOM 1251 OG SER A 76 -6.049 -16.356 12.605 1.00 19.42 O ATOM 1252 H SER A 76 -2.840 -15.406 10.002 1.00 19.02 H new ATOM 1253 HA SER A 76 -3.480 -15.291 12.775 1.00 20.90 H new ATOM 1254 1HB SER A 76 -5.736 -15.570 10.723 1.00 20.15 H new ATOM 1255 2HB SER A 76 -5.627 -14.412 12.055 1.00 20.15 H new ATOM 1256 HG SER A 76 -5.784 -16.185 13.554 1.00 19.42 H new ATOM 1257 N ARG A 77 -3.320 -17.780 12.782 1.00 26.70 N ATOM 1258 CA ARG A 77 -3.019 -19.200 12.751 1.00 30.00 C ATOM 1259 C ARG A 77 -4.282 -20.010 13.031 1.00 32.25 C ATOM 1260 O ARG A 77 -4.388 -21.160 12.613 1.00 33.44 O ATOM 1261 CB ARG A 77 -1.940 -19.538 13.783 1.00 31.16 C ATOM 1262 CG ARG A 77 -0.674 -18.706 13.654 1.00 32.39 C ATOM 1263 CD ARG A 77 0.472 -19.300 14.473 1.00 37.50 C ATOM 1264 NE ARG A 77 1.619 -18.394 14.553 1.00 39.02 N ATOM 1265 CZ ARG A 77 1.674 -17.323 15.343 1.00 37.69 C ATOM 1266 NH1 ARG A 77 2.754 -16.555 15.335 1.00 36.93 N ATOM 1267 NH2 ARG A 77 0.658 -17.031 16.154 1.00 35.50 N ATOM 1268 H ARG A 77 -3.331 -17.372 13.695 1.00 26.70 H new ATOM 1269 HA ARG A 77 -2.643 -19.458 11.750 1.00 30.00 H new ATOM 1270 1HB ARG A 77 -2.356 -19.398 14.792 1.00 31.16 H new ATOM 1271 2HB ARG A 77 -1.678 -20.602 13.688 1.00 31.16 H new ATOM 1272 1HG ARG A 77 -0.378 -18.647 12.596 1.00 32.39 H new ATOM 1273 2HG ARG A 77 -0.873 -17.678 13.991 1.00 32.39 H new ATOM 1274 1HD ARG A 77 0.115 -19.529 15.488 1.00 37.50 H new ATOM 1275 2HD ARG A 77 0.789 -20.252 14.021 1.00 37.50 H new ATOM 1276 HE ARG A 77 2.412 -18.592 13.977 1.00 39.02 H + new ATOM 1277 1HH1 ARG A 77 3.523 -16.780 14.737 1.00 36.93 H + new ATOM 1278 2HH1 ARG A 77 2.799 -15.750 15.927 1.00 36.93 H + new ATOM 1279 1HH2 ARG A 77 -0.152 -17.617 16.172 1.00 35.50 H + new ATOM 1280 2HH2 ARG A 77 0.705 -16.226 16.745 1.00 35.50 H + new ATOM 1281 N GLU A 78 -5.244 -19.392 13.717 1.00 33.44 N ATOM 1282 CA GLU A 78 -6.497 -20.049 14.084 1.00 32.79 C ATOM 1283 C GLU A 78 -7.583 -19.993 13.017 1.00 31.60 C ATOM 1284 O GLU A 78 -8.294 -20.980 12.815 1.00 32.77 O ATOM 1285 CB GLU A 78 -7.038 -19.459 15.392 1.00 35.43 C ATOM 1286 CG GLU A 78 -6.151 -19.696 16.606 1.00 37.81 C ATOM 1287 CD GLU A 78 -6.643 -18.969 17.854 1.00 43.55 C ATOM 1288 OE1 GLU A 78 -5.955 -19.060 18.892 1.00 46.75 O ATOM 1289 OE2 GLU A 78 -7.706 -18.307 17.807 1.00 44.99 O ATOM 1290 H GLU A 78 -5.177 -18.443 14.027 1.00 33.44 H new ATOM 1291 HA GLU A 78 -6.243 -21.112 14.204 1.00 32.79 H new ATOM 1292 1HB GLU A 78 -7.176 -18.376 15.261 1.00 35.43 H new ATOM 1293 2HB GLU A 78 -8.031 -19.889 15.590 1.00 35.43 H new ATOM 1294 1HG GLU A 78 -6.102 -20.775 16.812 1.00 37.81 H new ATOM 1295 2HG GLU A 78 -5.127 -19.366 16.376 1.00 37.81 H new ATOM 1296 N LEU A 79 -7.728 -18.844 12.355 1.00 31.17 N ATOM 1297 CA LEU A 79 -8.732 -18.686 11.296 1.00 31.50 C ATOM 1298 C LEU A 79 -8.311 -19.497 10.084 1.00 33.68 C ATOM 1299 O LEU A 79 -7.123 -19.574 9.754 1.00 33.93 O ATOM 1300 CB LEU A 79 -8.870 -17.225 10.854 1.00 28.24 C ATOM 1301 CG LEU A 79 -9.402 -16.138 11.784 1.00 24.40 C ATOM 1302 CD1 LEU A 79 -9.456 -14.814 11.023 1.00 20.04 C ATOM 1303 CD2 LEU A 79 -10.781 -16.525 12.291 1.00 20.56 C ATOM 1304 H LEU A 79 -7.177 -18.027 12.527 1.00 31.17 H new ATOM 1305 HA LEU A 79 -9.695 -19.030 11.700 1.00 31.50 H new ATOM 1306 1HB LEU A 79 -7.872 -16.899 10.526 1.00 28.24 H new ATOM 1307 2HB LEU A 79 -9.517 -17.224 9.965 1.00 28.24 H new ATOM 1308 HG LEU A 79 -8.735 -16.025 12.652 1.00 24.40 H new ATOM 1309 1HD1 LEU A 79 -9.839 -14.024 11.686 1.00 20.04 H new ATOM 1310 2HD1 LEU A 79 -8.446 -14.546 10.680 1.00 20.04 H new ATOM 1311 3HD1 LEU A 79 -10.123 -14.917 10.154 1.00 20.04 H new ATOM 1312 1HD2 LEU A 79 -11.160 -15.739 12.961 1.00 20.56 H new ATOM 1313 2HD2 LEU A 79 -11.466 -16.642 11.438 1.00 20.56 H new ATOM 1314 3HD2 LEU A 79 -10.716 -17.475 12.842 1.00 20.56 H new ATOM 1315 N LYS A 80 -9.286 -20.091 9.410 1.00 37.64 N ATOM 1316 CA LYS A 80 -8.998 -20.891 8.228 1.00 43.21 C ATOM 1317 C LYS A 80 -9.637 -20.302 6.974 1.00 44.90 C ATOM 1318 O LYS A 80 -9.371 -20.745 5.858 1.00 47.50 O ATOM 1319 CB LYS A 80 -9.463 -22.337 8.455 1.00 44.01 C ATOM 1320 CG LYS A 80 -8.329 -23.285 8.885 1.00 45.75 C ATOM 1321 CD LYS A 80 -7.470 -22.675 9.996 1.00 46.41 C ATOM 1322 CE LYS A 80 -6.231 -23.509 10.309 1.00 45.28 C ATOM 1323 NZ LYS A 80 -6.566 -24.781 11.006 1.00 44.56 N ATOM 1324 H LYS A 80 -10.254 -20.036 9.653 1.00 37.64 H new ATOM 1325 HA LYS A 80 -7.910 -20.884 8.065 1.00 43.21 H new ATOM 1326 1HB LYS A 80 -10.249 -22.345 9.225 1.00 44.01 H new ATOM 1327 2HB LYS A 80 -9.917 -22.718 7.528 1.00 44.01 H new ATOM 1328 1HG LYS A 80 -8.758 -24.236 9.233 1.00 45.75 H new ATOM 1329 2HG LYS A 80 -7.695 -23.517 8.016 1.00 45.75 H new ATOM 1330 1HD LYS A 80 -7.160 -21.662 9.699 1.00 46.41 H new ATOM 1331 2HD LYS A 80 -8.077 -22.571 10.908 1.00 46.41 H new ATOM 1332 1HE LYS A 80 -5.699 -23.736 9.373 1.00 45.28 H new ATOM 1333 2HE LYS A 80 -5.544 -22.920 10.935 1.00 45.28 H new ATOM 1334 1HZ LYS A 80 -5.726 -25.292 11.190 1.00 44.56 H + new ATOM 1335 2HZ LYS A 80 -7.027 -24.577 11.869 1.00 44.56 H + new ATOM 1336 3HZ LYS A 80 -7.170 -25.330 10.428 1.00 44.56 H + new ATOM 1337 N GLU A 81 -10.453 -19.274 7.176 1.00 45.94 N ATOM 1338 CA GLU A 81 -11.163 -18.590 6.104 1.00 45.68 C ATOM 1339 C GLU A 81 -11.018 -17.079 6.352 1.00 43.90 C ATOM 1340 O GLU A 81 -11.134 -16.627 7.490 1.00 43.55 O ATOM 1341 CB GLU A 81 -12.627 -19.026 6.171 1.00 49.64 C ATOM 1342 CG GLU A 81 -13.551 -18.464 5.122 1.00 57.15 C ATOM 1343 CD GLU A 81 -14.990 -18.881 5.370 1.00 60.00 C ATOM 1344 OE1 GLU A 81 -15.532 -18.521 6.438 1.00 63.11 O ATOM 1345 OE2 GLU A 81 -15.578 -19.572 4.509 1.00 63.55 O ATOM 1346 H GLU A 81 -10.638 -18.895 8.083 1.00 45.94 H new ATOM 1347 HA GLU A 81 -10.765 -18.831 5.107 1.00 45.68 H new ATOM 1348 1HB GLU A 81 -12.661 -20.124 6.106 1.00 49.64 H new ATOM 1349 2HB GLU A 81 -13.022 -18.750 7.160 1.00 49.64 H new ATOM 1350 1HG GLU A 81 -13.481 -17.366 5.119 1.00 57.15 H new ATOM 1351 2HG GLU A 81 -13.233 -18.810 4.127 1.00 57.15 H new ATOM 1352 N PRO A 82 -10.747 -16.280 5.302 1.00 42.08 N ATOM 1353 CA PRO A 82 -10.602 -14.831 5.507 1.00 40.15 C ATOM 1354 C PRO A 82 -11.837 -14.160 6.123 1.00 38.49 C ATOM 1355 O PRO A 82 -12.975 -14.456 5.751 1.00 37.32 O ATOM 1356 CB PRO A 82 -10.302 -14.308 4.101 1.00 39.36 C ATOM 1357 CG PRO A 82 -9.583 -15.449 3.466 1.00 40.31 C ATOM 1358 CD PRO A 82 -10.410 -16.639 3.913 1.00 42.28 C ATOM 1359 HA PRO A 82 -9.814 -14.601 6.239 1.00 40.15 H new ATOM 1360 1HB PRO A 82 -11.223 -14.053 3.556 1.00 39.36 H new ATOM 1361 2HB PRO A 82 -9.682 -13.400 4.128 1.00 39.36 H new ATOM 1362 1HG PRO A 82 -9.554 -15.357 2.370 1.00 40.31 H new ATOM 1363 2HG PRO A 82 -8.541 -15.521 3.810 1.00 40.31 H new ATOM 1364 1HD PRO A 82 -11.309 -16.771 3.293 1.00 42.28 H new ATOM 1365 2HD PRO A 82 -9.841 -17.579 3.858 1.00 42.28 H new ATOM 1366 N PRO A 83 -11.624 -13.251 7.087 1.00 37.84 N ATOM 1367 CA PRO A 83 -12.766 -12.582 7.702 1.00 36.90 C ATOM 1368 C PRO A 83 -13.400 -11.578 6.748 1.00 36.19 C ATOM 1369 O PRO A 83 -12.709 -10.939 5.962 1.00 32.69 O ATOM 1370 CB PRO A 83 -12.150 -11.924 8.936 1.00 36.31 C ATOM 1371 CG PRO A 83 -10.767 -11.621 8.498 1.00 34.59 C ATOM 1372 CD PRO A 83 -10.371 -12.878 7.769 1.00 36.79 C ATOM 1373 HA PRO A 83 -13.593 -13.260 7.960 1.00 36.90 H new ATOM 1374 1HB PRO A 83 -12.694 -11.013 9.226 1.00 36.31 H new ATOM 1375 2HB PRO A 83 -12.163 -12.597 9.806 1.00 36.31 H new ATOM 1376 1HG PRO A 83 -10.730 -10.739 7.842 1.00 34.59 H new ATOM 1377 2HG PRO A 83 -10.103 -11.416 9.351 1.00 34.59 H new ATOM 1378 1HD PRO A 83 -9.553 -12.699 7.056 1.00 36.79 H new ATOM 1379 2HD PRO A 83 -10.030 -13.663 8.460 1.00 36.79 H new ATOM 1380 N ARG A 84 -14.721 -11.452 6.828 1.00 37.99 N ATOM 1381 CA ARG A 84 -15.471 -10.536 5.982 1.00 39.85 C ATOM 1382 C ARG A 84 -14.743 -9.203 5.826 1.00 37.39 C ATOM 1383 O ARG A 84 -14.469 -8.514 6.807 1.00 37.65 O ATOM 1384 CB ARG A 84 -16.877 -10.311 6.567 1.00 45.08 C ATOM 1385 CG ARG A 84 -17.749 -9.345 5.764 1.00 52.57 C ATOM 1386 CD ARG A 84 -17.935 -9.849 4.339 1.00 60.44 C ATOM 1387 NE ARG A 84 -18.312 -8.792 3.399 1.00 66.14 N ATOM 1388 CZ ARG A 84 -18.353 -8.953 2.077 1.00 68.34 C ATOM 1389 NH1 ARG A 84 -18.702 -7.945 1.288 1.00 69.46 N ATOM 1390 NH2 ARG A 84 -18.043 -10.127 1.538 1.00 69.51 N ATOM 1391 H ARG A 84 -15.288 -11.971 7.468 1.00 37.99 H new ATOM 1392 HA ARG A 84 -15.563 -10.989 4.984 1.00 39.85 H new ATOM 1393 1HB ARG A 84 -17.392 -11.281 6.634 1.00 45.08 H new ATOM 1394 2HB ARG A 84 -16.777 -9.928 7.593 1.00 45.08 H new ATOM 1395 1HG ARG A 84 -18.729 -9.235 6.251 1.00 52.57 H new ATOM 1396 2HG ARG A 84 -17.284 -8.348 5.749 1.00 52.57 H new ATOM 1397 1HD ARG A 84 -17.000 -10.318 3.998 1.00 60.44 H new ATOM 1398 2HD ARG A 84 -18.709 -10.631 4.331 1.00 60.44 H new ATOM 1399 HE ARG A 84 -18.553 -7.896 3.771 1.00 66.14 H + new ATOM 1400 1HH1 ARG A 84 -18.936 -7.057 1.685 1.00 69.46 H + new ATOM 1401 2HH1 ARG A 84 -18.731 -8.073 0.297 1.00 69.46 H + new ATOM 1402 1HH2 ARG A 84 -17.778 -10.892 2.125 1.00 69.51 H + new ATOM 1403 2HH2 ARG A 84 -18.075 -10.245 0.546 1.00 69.51 H + new ATOM 1404 N GLY A 85 -14.438 -8.846 4.582 1.00 35.76 N ATOM 1405 CA GLY A 85 -13.745 -7.600 4.314 1.00 31.43 C ATOM 1406 C GLY A 85 -12.281 -7.839 4.011 1.00 29.59 C ATOM 1407 O GLY A 85 -11.660 -7.081 3.280 1.00 29.10 O ATOM 1408 H GLY A 85 -14.655 -9.388 3.770 1.00 35.76 H new ATOM 1409 1HA GLY A 85 -14.219 -7.089 3.463 1.00 31.43 H new ATOM 1410 2HA GLY A 85 -13.838 -6.932 5.183 1.00 31.43 H new ATOM 1411 N ALA A 86 -11.727 -8.906 4.571 1.00 29.04 N ATOM 1412 CA ALA A 86 -10.322 -9.239 4.363 1.00 29.15 C ATOM 1413 C ALA A 86 -9.988 -9.733 2.949 1.00 28.78 C ATOM 1414 O ALA A 86 -10.507 -10.748 2.481 1.00 27.09 O ATOM 1415 CB ALA A 86 -9.887 -10.285 5.385 1.00 31.43 C ATOM 1416 H ALA A 86 -12.219 -9.545 5.162 1.00 29.04 H new ATOM 1417 HA ALA A 86 -9.767 -8.299 4.495 1.00 29.15 H new ATOM 1418 1HB ALA A 86 -8.828 -10.535 5.227 1.00 31.43 H new ATOM 1419 2HB ALA A 86 -10.021 -9.884 6.401 1.00 31.43 H new ATOM 1420 3HB ALA A 86 -10.499 -11.191 5.266 1.00 31.43 H new ATOM 1421 N HIS A 87 -9.103 -9.016 2.272 1.00 27.41 N ATOM 1422 CA HIS A 87 -8.698 -9.419 0.940 1.00 27.11 C ATOM 1423 C HIS A 87 -7.989 -10.774 1.010 1.00 26.90 C ATOM 1424 O HIS A 87 -8.386 -11.725 0.341 1.00 28.42 O ATOM 1425 CB HIS A 87 -7.769 -8.370 0.340 1.00 27.03 C ATOM 1426 CG HIS A 87 -8.383 -7.010 0.244 1.00 28.60 C ATOM 1427 ND1 HIS A 87 -8.076 -5.848 0.866 1.00 31.69 N flip ATOM 1428 CD2 HIS A 87 -9.471 -6.739 -0.553 1.00 29.80 C flip ATOM 1429 CE1 HIS A 87 -8.976 -4.907 0.435 1.00 31.32 C flip ATOM 1430 NE2 HIS A 87 -9.808 -5.469 -0.421 1.00 30.22 N flip ATOM 1431 H HIS A 87 -8.668 -8.182 2.612 1.00 27.41 H new ATOM 1432 HA HIS A 87 -9.588 -9.510 0.299 1.00 27.11 H new ATOM 1433 1HB HIS A 87 -6.856 -8.309 0.951 1.00 27.03 H new ATOM 1434 2HB HIS A 87 -7.462 -8.696 -0.665 1.00 27.03 H new ATOM 1436 HD2 HIS A 87 -9.981 -7.468 -1.200 1.00 29.80 H new ATOM 1437 HE1 HIS A 87 -9.000 -3.854 0.752 1.00 31.32 H new ATOM 1438 HE2 HIS A 87 -10.564 -5.012 -0.889 1.00 30.22 H new ATOM 1439 N PHE A 88 -6.942 -10.865 1.822 1.00 25.39 N ATOM 1440 CA PHE A 88 -6.193 -12.110 1.964 1.00 22.17 C ATOM 1441 C PHE A 88 -6.036 -12.492 3.426 1.00 23.22 C ATOM 1442 O PHE A 88 -6.163 -11.646 4.315 1.00 23.38 O ATOM 1443 CB PHE A 88 -4.814 -11.960 1.343 1.00 20.90 C ATOM 1444 CG PHE A 88 -4.836 -11.747 -0.139 1.00 23.96 C ATOM 1445 CD1 PHE A 88 -5.006 -12.819 -1.006 1.00 21.65 C ATOM 1446 CD2 PHE A 88 -4.697 -10.468 -0.674 1.00 23.77 C ATOM 1447 CE1 PHE A 88 -5.036 -12.629 -2.384 1.00 21.14 C ATOM 1448 CE2 PHE A 88 -4.727 -10.269 -2.056 1.00 22.41 C ATOM 1449 CZ PHE A 88 -4.898 -11.354 -2.910 1.00 21.74 C ATOM 1450 H PHE A 88 -6.599 -10.109 2.380 1.00 25.39 H new ATOM 1451 HA PHE A 88 -6.756 -12.902 1.448 1.00 22.17 H new ATOM 1452 1HB PHE A 88 -4.299 -11.112 1.818 1.00 20.90 H new ATOM 1453 2HB PHE A 88 -4.223 -12.860 1.565 1.00 20.90 H new ATOM 1454 HD1 PHE A 88 -5.119 -13.834 -0.597 1.00 21.65 H new ATOM 1455 HD2 PHE A 88 -4.562 -9.608 -0.002 1.00 23.77 H new ATOM 1456 HE1 PHE A 88 -5.169 -13.490 -3.056 1.00 21.14 H new ATOM 1457 HE2 PHE A 88 -4.616 -9.256 -2.469 1.00 22.41 H new ATOM 1458 HZ PHE A 88 -4.924 -11.201 -3.999 1.00 21.74 H new ATOM 1459 N LEU A 89 -5.768 -13.775 3.664 1.00 24.12 N ATOM 1460 CA LEU A 89 -5.559 -14.322 5.005 1.00 21.67 C ATOM 1461 C LEU A 89 -4.280 -15.121 4.860 1.00 22.57 C ATOM 1462 O LEU A 89 -4.154 -15.919 3.946 1.00 25.45 O ATOM 1463 CB LEU A 89 -6.731 -15.234 5.394 1.00 21.80 C ATOM 1464 CG LEU A 89 -6.875 -16.029 6.708 1.00 22.82 C ATOM 1465 CD1 LEU A 89 -5.935 -17.209 6.691 1.00 24.25 C ATOM 1466 CD2 LEU A 89 -6.630 -15.141 7.923 1.00 22.38 C ATOM 1467 H LEU A 89 -5.690 -14.458 2.938 1.00 24.12 H new ATOM 1468 HA LEU A 89 -5.495 -13.551 5.787 1.00 21.67 H new ATOM 1469 1HB LEU A 89 -7.630 -14.603 5.331 1.00 21.80 H new ATOM 1470 2HB LEU A 89 -6.805 -15.980 4.589 1.00 21.80 H new ATOM 1471 HG LEU A 89 -7.907 -16.401 6.786 1.00 22.82 H new ATOM 1472 1HD1 LEU A 89 -6.039 -17.775 7.629 1.00 24.25 H new ATOM 1473 2HD1 LEU A 89 -6.180 -17.862 5.840 1.00 24.25 H new ATOM 1474 3HD1 LEU A 89 -4.899 -16.852 6.592 1.00 24.25 H new ATOM 1475 1HD2 LEU A 89 -6.740 -15.737 8.841 1.00 22.38 H new ATOM 1476 2HD2 LEU A 89 -5.612 -14.726 7.875 1.00 22.38 H new ATOM 1477 3HD2 LEU A 89 -7.361 -14.319 7.930 1.00 22.38 H new ATOM 1478 N ALA A 90 -3.309 -14.883 5.728 1.00 23.84 N ATOM 1479 CA ALA A 90 -2.054 -15.615 5.647 1.00 22.10 C ATOM 1480 C ALA A 90 -1.718 -16.232 6.997 1.00 22.64 C ATOM 1481 O ALA A 90 -1.953 -15.637 8.049 1.00 20.82 O ATOM 1482 CB ALA A 90 -0.930 -14.700 5.180 1.00 22.53 C ATOM 1483 H ALA A 90 -3.361 -14.214 6.470 1.00 23.84 H new ATOM 1484 HA ALA A 90 -2.166 -16.424 4.910 1.00 22.10 H new ATOM 1485 1HB ALA A 90 0.009 -15.270 5.125 1.00 22.53 H new ATOM 1486 2HB ALA A 90 -1.173 -14.298 4.185 1.00 22.53 H new ATOM 1487 3HB ALA A 90 -0.813 -13.870 5.892 1.00 22.53 H new ATOM 1488 N LYS A 91 -1.170 -17.440 6.921 1.00 25.46 N ATOM 1489 CA LYS A 91 -0.772 -18.292 8.041 1.00 25.88 C ATOM 1490 C LYS A 91 0.475 -17.790 8.796 1.00 25.81 C ATOM 1491 O LYS A 91 0.744 -18.210 9.918 1.00 26.19 O ATOM 1492 CB LYS A 91 -0.536 -19.697 7.456 1.00 29.44 C ATOM 1493 CG LYS A 91 -0.191 -20.809 8.413 1.00 30.82 C ATOM 1494 CD LYS A 91 -0.109 -22.173 7.680 1.00 31.11 C ATOM 1495 CE LYS A 91 1.180 -22.368 6.874 1.00 27.46 C ATOM 1496 NZ LYS A 91 1.032 -22.006 5.444 1.00 29.15 N ATOM 1497 H LYS A 91 -0.983 -17.871 6.038 1.00 25.46 H new ATOM 1498 HA LYS A 91 -1.569 -18.287 8.799 1.00 25.88 H new ATOM 1499 1HB LYS A 91 -1.444 -19.992 6.909 1.00 29.44 H new ATOM 1500 2HB LYS A 91 0.276 -19.623 6.717 1.00 29.44 H new ATOM 1501 1HG LYS A 91 0.771 -20.592 8.900 1.00 30.82 H new ATOM 1502 2HG LYS A 91 -0.949 -20.861 9.208 1.00 30.82 H new ATOM 1503 1HD LYS A 91 -0.192 -22.982 8.421 1.00 31.11 H new ATOM 1504 2HD LYS A 91 -0.971 -22.267 7.003 1.00 31.11 H new ATOM 1505 1HE LYS A 91 1.980 -21.758 7.320 1.00 27.46 H new ATOM 1506 2HE LYS A 91 1.497 -23.419 6.949 1.00 27.46 H new ATOM 1507 1HZ LYS A 91 1.936 -21.916 5.027 1.00 29.15 H + new ATOM 1508 2HZ LYS A 91 0.517 -22.720 4.970 1.00 29.15 H + new ATOM 1509 3HZ LYS A 91 0.543 -21.137 5.369 1.00 29.15 H + new ATOM 1510 N SER A 92 1.229 -16.890 8.176 1.00 26.73 N ATOM 1511 CA SER A 92 2.441 -16.347 8.786 1.00 27.90 C ATOM 1512 C SER A 92 2.984 -15.185 7.953 1.00 27.45 C ATOM 1513 O SER A 92 2.555 -14.978 6.816 1.00 25.40 O ATOM 1514 CB SER A 92 3.498 -17.438 8.877 1.00 28.20 C ATOM 1515 OG SER A 92 3.759 -17.949 7.579 1.00 28.98 O ATOM 1516 H SER A 92 1.027 -16.526 7.267 1.00 26.73 H new ATOM 1517 HA SER A 92 2.195 -15.980 9.793 1.00 27.90 H new ATOM 1518 1HB SER A 92 3.152 -18.246 9.539 1.00 28.20 H new ATOM 1519 2HB SER A 92 4.422 -17.034 9.317 1.00 28.20 H new ATOM 1520 HG SER A 92 4.455 -18.665 7.636 1.00 28.98 H new ATOM 1521 N LEU A 93 3.941 -14.443 8.513 1.00 29.13 N ATOM 1522 CA LEU A 93 4.532 -13.297 7.814 1.00 30.27 C ATOM 1523 C LEU A 93 5.240 -13.685 6.511 1.00 31.45 C ATOM 1524 O LEU A 93 5.391 -12.859 5.608 1.00 31.59 O ATOM 1525 CB LEU A 93 5.496 -12.549 8.736 1.00 27.71 C ATOM 1526 CG LEU A 93 6.021 -11.219 8.193 1.00 27.74 C ATOM 1527 CD1 LEU A 93 4.866 -10.255 7.967 1.00 26.82 C ATOM 1528 CD2 LEU A 93 7.009 -10.628 9.172 1.00 27.46 C ATOM 1529 H LEU A 93 4.315 -14.609 9.425 1.00 29.13 H new ATOM 1530 HA LEU A 93 3.697 -12.637 7.536 1.00 30.27 H new ATOM 1531 1HB LEU A 93 4.989 -12.360 9.694 1.00 27.71 H new ATOM 1532 2HB LEU A 93 6.354 -13.203 8.950 1.00 27.71 H new ATOM 1533 HG LEU A 93 6.526 -11.394 7.232 1.00 27.74 H new ATOM 1534 1HD1 LEU A 93 5.254 -9.302 7.577 1.00 26.82 H new ATOM 1535 2HD1 LEU A 93 4.162 -10.689 7.241 1.00 26.82 H new ATOM 1536 3HD1 LEU A 93 4.346 -10.076 8.919 1.00 26.82 H new ATOM 1537 1HD2 LEU A 93 7.386 -9.672 8.781 1.00 27.46 H new ATOM 1538 2HD2 LEU A 93 6.511 -10.458 10.138 1.00 27.46 H new ATOM 1539 3HD2 LEU A 93 7.850 -11.324 9.311 1.00 27.46 H new ATOM 1540 N ASP A 94 5.677 -14.939 6.419 1.00 34.02 N ATOM 1541 CA ASP A 94 6.324 -15.441 5.210 1.00 36.13 C ATOM 1542 C ASP A 94 5.260 -15.751 4.163 1.00 35.49 C ATOM 1543 O ASP A 94 5.382 -15.352 3.005 1.00 35.59 O ATOM 1544 CB ASP A 94 7.138 -16.694 5.517 1.00 38.91 C ATOM 1545 CG ASP A 94 8.406 -16.376 6.257 1.00 42.56 C ATOM 1546 OD1 ASP A 94 8.314 -15.886 7.401 1.00 48.11 O ATOM 1547 OD2 ASP A 94 9.494 -16.604 5.690 1.00 42.53 O ATOM 1548 H ASP A 94 5.596 -15.613 7.153 1.00 34.02 H new ATOM 1549 HA ASP A 94 7.009 -14.672 4.823 1.00 36.13 H new ATOM 1550 1HB ASP A 94 6.529 -17.388 6.116 1.00 38.91 H new ATOM 1551 2HB ASP A 94 7.383 -17.210 4.577 1.00 38.91 H new ATOM 1552 N ASP A 95 4.219 -16.467 4.575 1.00 33.73 N ATOM 1553 CA ASP A 95 3.114 -16.784 3.682 1.00 33.62 C ATOM 1554 C ASP A 95 2.678 -15.460 3.042 1.00 33.49 C ATOM 1555 O ASP A 95 2.415 -15.382 1.844 1.00 34.22 O ATOM 1556 CB ASP A 95 1.947 -17.372 4.485 1.00 33.87 C ATOM 1557 CG ASP A 95 1.819 -18.880 4.337 1.00 32.31 C ATOM 1558 OD1 ASP A 95 2.852 -19.558 4.146 1.00 31.23 O ATOM 1559 OD2 ASP A 95 0.672 -19.378 4.433 1.00 30.15 O ATOM 1560 H ASP A 95 4.121 -16.830 5.502 1.00 33.73 H new ATOM 1561 HA ASP A 95 3.416 -17.520 2.922 1.00 33.62 H new ATOM 1562 1HB ASP A 95 2.080 -17.124 5.548 1.00 33.87 H new ATOM 1563 2HB ASP A 95 1.010 -16.897 4.159 1.00 33.87 H new ATOM 1564 N ALA A 96 2.619 -14.418 3.861 1.00 33.64 N ATOM 1565 CA ALA A 96 2.214 -13.099 3.404 1.00 32.89 C ATOM 1566 C ALA A 96 3.271 -12.414 2.534 1.00 33.05 C ATOM 1567 O ALA A 96 2.947 -11.864 1.480 1.00 30.46 O ATOM 1568 CB ALA A 96 1.881 -12.232 4.598 1.00 32.07 C ATOM 1569 H ALA A 96 2.845 -14.463 4.834 1.00 33.64 H new ATOM 1570 HA ALA A 96 1.326 -13.233 2.769 1.00 32.89 H new ATOM 1571 1HB ALA A 96 1.574 -11.234 4.253 1.00 32.07 H new ATOM 1572 2HB ALA A 96 1.059 -12.691 5.167 1.00 32.07 H new ATOM 1573 3HB ALA A 96 2.767 -12.140 5.244 1.00 32.07 H new ATOM 1574 N LEU A 97 4.529 -12.443 2.967 1.00 32.64 N ATOM 1575 CA LEU A 97 5.592 -11.803 2.199 1.00 33.54 C ATOM 1576 C LEU A 97 5.853 -12.483 0.857 1.00 33.69 C ATOM 1577 O LEU A 97 6.297 -11.838 -0.095 1.00 33.51 O ATOM 1578 CB LEU A 97 6.887 -11.738 3.020 1.00 34.08 C ATOM 1579 CG LEU A 97 6.936 -10.684 4.138 1.00 35.72 C ATOM 1580 CD1 LEU A 97 8.213 -10.828 4.965 1.00 32.88 C ATOM 1581 CD2 LEU A 97 6.858 -9.294 3.521 1.00 35.48 C ATOM 1582 H LEU A 97 4.827 -12.885 3.813 1.00 32.64 H new ATOM 1583 HA LEU A 97 5.245 -10.783 1.978 1.00 33.54 H new ATOM 1584 1HB LEU A 97 7.059 -12.727 3.471 1.00 34.08 H new ATOM 1585 2HB LEU A 97 7.723 -11.548 2.331 1.00 34.08 H new ATOM 1586 HG LEU A 97 6.079 -10.835 4.811 1.00 35.72 H new ATOM 1587 1HD1 LEU A 97 8.226 -10.065 5.757 1.00 32.88 H new ATOM 1588 2HD1 LEU A 97 8.245 -11.829 5.420 1.00 32.88 H new ATOM 1589 3HD1 LEU A 97 9.089 -10.694 4.314 1.00 32.88 H new ATOM 1590 1HD2 LEU A 97 6.893 -8.536 4.318 1.00 35.48 H new ATOM 1591 2HD2 LEU A 97 7.708 -9.147 2.838 1.00 35.48 H new ATOM 1592 3HD2 LEU A 97 5.917 -9.193 2.961 1.00 35.48 H new ATOM 1593 N ARG A 98 5.578 -13.779 0.768 1.00 33.83 N ATOM 1594 CA ARG A 98 5.790 -14.493 -0.487 1.00 34.34 C ATOM 1595 C ARG A 98 4.590 -14.295 -1.416 1.00 32.15 C ATOM 1596 O ARG A 98 4.717 -14.343 -2.641 1.00 32.37 O ATOM 1597 CB ARG A 98 6.039 -15.986 -0.218 1.00 38.09 C ATOM 1598 CG ARG A 98 7.422 -16.291 0.386 1.00 45.53 C ATOM 1599 CD ARG A 98 7.660 -15.515 1.696 1.00 52.43 C ATOM 1600 NE ARG A 98 9.054 -15.532 2.146 1.00 57.14 N ATOM 1601 CZ ARG A 98 9.487 -14.989 3.283 1.00 58.52 C ATOM 1602 NH1 ARG A 98 8.644 -14.379 4.106 1.00 58.98 N ATOM 1603 NH2 ARG A 98 10.772 -15.054 3.603 1.00 60.28 N ATOM 1604 H ARG A 98 5.222 -14.337 1.518 1.00 33.83 H new ATOM 1605 HA ARG A 98 6.682 -14.083 -0.984 1.00 34.34 H new ATOM 1606 1HB ARG A 98 5.262 -16.360 0.465 1.00 38.09 H new ATOM 1607 2HB ARG A 98 5.932 -16.541 -1.162 1.00 38.09 H new ATOM 1608 1HG ARG A 98 7.508 -17.371 0.579 1.00 45.53 H new ATOM 1609 2HG ARG A 98 8.205 -16.031 -0.341 1.00 45.53 H new ATOM 1610 1HD ARG A 98 7.342 -14.471 1.556 1.00 52.43 H new ATOM 1611 2HD ARG A 98 7.024 -15.942 2.485 1.00 52.43 H new ATOM 1612 HE ARG A 98 9.727 -15.982 1.559 1.00 57.14 H + new ATOM 1613 1HH1 ARG A 98 7.673 -14.323 3.876 1.00 58.98 H + new ATOM 1614 2HH1 ARG A 98 8.980 -13.975 4.957 1.00 58.98 H + new ATOM 1615 1HH2 ARG A 98 11.417 -15.511 2.991 1.00 60.28 H + new ATOM 1616 2HH2 ARG A 98 11.096 -14.646 4.457 1.00 60.28 H + new ATOM 1617 N LEU A 99 3.425 -14.056 -0.831 1.00 27.65 N ATOM 1618 CA LEU A 99 2.229 -13.837 -1.621 1.00 29.01 C ATOM 1619 C LEU A 99 2.320 -12.488 -2.322 1.00 31.80 C ATOM 1620 O LEU A 99 2.001 -12.349 -3.508 1.00 31.13 O ATOM 1621 CB LEU A 99 1.001 -13.869 -0.711 1.00 28.48 C ATOM 1622 CG LEU A 99 -0.291 -13.225 -1.214 1.00 28.04 C ATOM 1623 CD1 LEU A 99 -0.624 -13.720 -2.611 1.00 29.27 C ATOM 1624 CD2 LEU A 99 -1.413 -13.551 -0.243 1.00 27.53 C ATOM 1625 H LEU A 99 3.289 -14.011 0.159 1.00 27.65 H new ATOM 1626 HA LEU A 99 2.139 -14.631 -2.377 1.00 29.01 H new ATOM 1627 1HB LEU A 99 0.783 -14.922 -0.479 1.00 28.48 H new ATOM 1628 2HB LEU A 99 1.273 -13.380 0.236 1.00 28.48 H new ATOM 1629 HG LEU A 99 -0.163 -12.134 -1.269 1.00 28.04 H new ATOM 1630 1HD1 LEU A 99 -1.555 -13.247 -2.956 1.00 29.27 H new ATOM 1631 2HD1 LEU A 99 0.195 -13.460 -3.298 1.00 29.27 H new ATOM 1632 3HD1 LEU A 99 -0.753 -14.812 -2.592 1.00 29.27 H new ATOM 1633 1HD2 LEU A 99 -2.349 -13.092 -0.595 1.00 27.53 H new ATOM 1634 2HD2 LEU A 99 -1.540 -14.642 -0.182 1.00 27.53 H new ATOM 1635 3HD2 LEU A 99 -1.163 -13.155 0.753 1.00 27.53 H new ATOM 1636 N ILE A 100 2.772 -11.494 -1.571 1.00 32.71 N ATOM 1637 CA ILE A 100 2.905 -10.142 -2.079 1.00 34.38 C ATOM 1638 C ILE A 100 3.868 -10.043 -3.264 1.00 36.68 C ATOM 1639 O ILE A 100 3.744 -9.148 -4.104 1.00 36.20 O ATOM 1640 CB ILE A 100 3.348 -9.210 -0.936 1.00 34.41 C ATOM 1641 CG1 ILE A 100 2.229 -9.158 0.116 1.00 33.95 C ATOM 1642 CG2 ILE A 100 3.692 -7.820 -1.475 1.00 33.38 C ATOM 1643 CD1 ILE A 100 2.675 -8.708 1.484 1.00 32.51 C ATOM 1644 H ILE A 100 3.049 -11.602 -0.616 1.00 32.71 H new ATOM 1645 HA ILE A 100 1.921 -9.829 -2.458 1.00 34.38 H new ATOM 1646 HB ILE A 100 4.261 -9.599 -0.463 1.00 34.41 H new ATOM 1647 1HG1 ILE A 100 1.440 -8.479 -0.240 1.00 33.95 H new ATOM 1648 2HG1 ILE A 100 1.778 -10.158 0.202 1.00 33.95 H new ATOM 1649 1HG2 ILE A 100 4.005 -7.171 -0.644 1.00 33.38 H new ATOM 1650 2HG2 ILE A 100 4.511 -7.902 -2.205 1.00 33.38 H new ATOM 1651 3HG2 ILE A 100 2.807 -7.387 -1.964 1.00 33.38 H new ATOM 1652 1HD1 ILE A 100 1.813 -8.701 2.167 1.00 32.51 H new ATOM 1653 2HD1 ILE A 100 3.440 -9.399 1.867 1.00 32.51 H new ATOM 1654 3HD1 ILE A 100 3.097 -7.695 1.418 1.00 32.51 H new ATOM 1655 N GLU A 101 4.814 -10.972 -3.347 1.00 38.17 N ATOM 1656 CA GLU A 101 5.771 -10.946 -4.443 1.00 38.23 C ATOM 1657 C GLU A 101 5.344 -11.769 -5.669 1.00 36.07 C ATOM 1658 O GLU A 101 6.131 -11.979 -6.588 1.00 36.37 O ATOM 1659 CB GLU A 101 7.145 -11.398 -3.939 1.00 42.62 C ATOM 1660 CG GLU A 101 8.286 -10.556 -4.503 1.00 53.04 C ATOM 1661 CD GLU A 101 8.088 -9.047 -4.284 1.00 58.32 C ATOM 1662 OE1 GLU A 101 8.873 -8.253 -4.852 1.00 61.01 O ATOM 1663 OE2 GLU A 101 7.155 -8.651 -3.546 1.00 59.53 O ATOM 1664 H GLU A 101 4.935 -11.722 -2.696 1.00 38.17 H new ATOM 1665 HA GLU A 101 5.818 -9.904 -4.793 1.00 38.23 H new ATOM 1666 1HB GLU A 101 7.164 -11.344 -2.840 1.00 42.62 H new ATOM 1667 2HB GLU A 101 7.303 -12.452 -4.212 1.00 42.62 H new ATOM 1668 1HG GLU A 101 9.231 -10.868 -4.033 1.00 53.04 H new ATOM 1669 2HG GLU A 101 8.382 -10.754 -5.581 1.00 53.04 H new ATOM 1670 N GLN A 102 4.095 -12.224 -5.684 1.00 32.91 N ATOM 1671 CA GLN A 102 3.582 -13.002 -6.803 1.00 30.43 C ATOM 1672 C GLN A 102 3.282 -12.068 -7.981 1.00 30.70 C ATOM 1673 O GLN A 102 2.695 -10.997 -7.801 1.00 29.41 O ATOM 1674 CB GLN A 102 2.316 -13.745 -6.377 1.00 30.02 C ATOM 1675 CG GLN A 102 2.571 -14.822 -5.344 1.00 29.13 C ATOM 1676 CD GLN A 102 3.344 -15.985 -5.927 1.00 32.78 C ATOM 1677 OE1 GLN A 102 2.833 -16.708 -6.787 1.00 33.93 O ATOM 1678 NE2 GLN A 102 4.585 -16.169 -5.476 1.00 29.54 N ATOM 1679 H GLN A 102 3.435 -12.070 -4.949 1.00 32.91 H new ATOM 1680 HA GLN A 102 4.336 -13.740 -7.116 1.00 30.43 H new ATOM 1681 1HB GLN A 102 1.594 -13.021 -5.971 1.00 30.02 H new ATOM 1682 2HB GLN A 102 1.851 -14.200 -7.264 1.00 30.02 H new ATOM 1683 1HG GLN A 102 3.131 -14.395 -4.499 1.00 29.13 H new ATOM 1684 2HG GLN A 102 1.612 -15.182 -4.944 1.00 29.13 H new ATOM 1685 1HE2 GLN A 102 5.142 -16.918 -5.836 1.00 29.54 H new ATOM 1686 2HE2 GLN A 102 4.959 -15.558 -4.778 1.00 29.54 H new ATOM 1687 N PRO A 103 3.683 -12.464 -9.204 1.00 29.40 N ATOM 1688 CA PRO A 103 3.465 -11.665 -10.417 1.00 28.32 C ATOM 1689 C PRO A 103 2.090 -11.016 -10.459 1.00 29.30 C ATOM 1690 O PRO A 103 1.957 -9.832 -10.757 1.00 29.68 O ATOM 1691 CB PRO A 103 3.659 -12.688 -11.533 1.00 27.15 C ATOM 1692 CG PRO A 103 4.735 -13.557 -10.978 1.00 26.29 C ATOM 1693 CD PRO A 103 4.294 -13.764 -9.542 1.00 26.80 C ATOM 1694 HA PRO A 103 4.150 -10.807 -10.490 1.00 28.32 H new ATOM 1695 1HB PRO A 103 2.738 -13.254 -11.737 1.00 27.15 H new ATOM 1696 2HB PRO A 103 3.961 -12.213 -12.478 1.00 27.15 H new ATOM 1697 1HG PRO A 103 4.812 -14.510 -11.523 1.00 26.29 H new ATOM 1698 2HG PRO A 103 5.721 -13.073 -11.036 1.00 26.29 H new ATOM 1699 1HD PRO A 103 3.574 -14.591 -9.450 1.00 26.80 H new ATOM 1700 2HD PRO A 103 5.142 -14.001 -8.883 1.00 26.80 H new ATOM 1701 N GLU A 104 1.084 -11.825 -10.144 1.00 31.13 N ATOM 1702 CA GLU A 104 -0.330 -11.451 -10.118 1.00 30.42 C ATOM 1703 C GLU A 104 -0.634 -10.268 -9.196 1.00 32.34 C ATOM 1704 O GLU A 104 -1.526 -9.474 -9.489 1.00 32.33 O ATOM 1705 CB GLU A 104 -1.138 -12.680 -9.686 1.00 30.89 C ATOM 1706 CG GLU A 104 -0.231 -13.880 -9.403 1.00 30.99 C ATOM 1707 CD GLU A 104 -0.937 -15.046 -8.777 1.00 33.54 C ATOM 1708 OE1 GLU A 104 -0.243 -16.021 -8.424 1.00 38.14 O ATOM 1709 OE2 GLU A 104 -2.176 -15.002 -8.632 1.00 39.90 O ATOM 1710 H GLU A 104 1.233 -12.782 -9.894 1.00 31.13 H new ATOM 1711 HA GLU A 104 -0.611 -11.119 -11.129 1.00 30.42 H new ATOM 1712 1HB GLU A 104 -1.721 -12.439 -8.785 1.00 30.89 H new ATOM 1713 2HB GLU A 104 -1.859 -12.942 -10.474 1.00 30.89 H new ATOM 1714 1HG GLU A 104 0.230 -14.208 -10.346 1.00 30.99 H new ATOM 1715 2HG GLU A 104 0.586 -13.560 -8.739 1.00 30.99 H new ATOM 1716 N LEU A 105 0.095 -10.167 -8.081 1.00 35.14 N ATOM 1717 CA LEU A 105 -0.081 -9.079 -7.106 1.00 35.05 C ATOM 1718 C LEU A 105 0.820 -7.888 -7.413 1.00 35.59 C ATOM 1719 O LEU A 105 0.344 -6.780 -7.634 1.00 36.22 O ATOM 1720 CB LEU A 105 0.244 -9.553 -5.684 1.00 33.93 C ATOM 1721 CG LEU A 105 -0.864 -10.004 -4.733 1.00 31.95 C ATOM 1722 CD1 LEU A 105 -1.902 -8.906 -4.577 1.00 28.38 C ATOM 1723 CD2 LEU A 105 -1.486 -11.270 -5.272 1.00 34.96 C ATOM 1724 H LEU A 105 0.809 -10.821 -7.831 1.00 35.14 H new ATOM 1725 HA LEU A 105 -1.135 -8.774 -7.178 1.00 35.05 H new ATOM 1726 1HB LEU A 105 0.950 -10.391 -5.777 1.00 33.93 H new ATOM 1727 2HB LEU A 105 0.782 -8.733 -5.186 1.00 33.93 H new ATOM 1728 HG LEU A 105 -0.443 -10.208 -3.737 1.00 31.95 H new ATOM 1729 1HD1 LEU A 105 -2.693 -9.243 -3.891 1.00 28.38 H new ATOM 1730 2HD1 LEU A 105 -1.423 -8.004 -4.169 1.00 28.38 H new ATOM 1731 3HD1 LEU A 105 -2.342 -8.675 -5.558 1.00 28.38 H new ATOM 1732 1HD2 LEU A 105 -2.286 -11.604 -4.594 1.00 34.96 H new ATOM 1733 2HD2 LEU A 105 -1.908 -11.076 -6.269 1.00 34.96 H new ATOM 1734 3HD2 LEU A 105 -0.718 -12.054 -5.346 1.00 34.96 H new ATOM 1735 N ALA A 106 2.126 -8.134 -7.407 1.00 35.67 N ATOM 1736 CA ALA A 106 3.128 -7.108 -7.666 1.00 37.12 C ATOM 1737 C ALA A 106 2.692 -6.100 -8.729 1.00 38.09 C ATOM 1738 O ALA A 106 3.028 -4.916 -8.669 1.00 39.11 O ATOM 1739 CB ALA A 106 4.426 -7.771 -8.086 1.00 36.69 C ATOM 1740 H ALA A 106 2.513 -9.038 -7.225 1.00 35.67 H new ATOM 1741 HA ALA A 106 3.266 -6.542 -6.733 1.00 37.12 H new ATOM 1742 1HB ALA A 106 5.185 -7.000 -8.283 1.00 36.69 H new ATOM 1743 2HB ALA A 106 4.777 -8.434 -7.281 1.00 36.69 H new ATOM 1744 3HB ALA A 106 4.258 -8.361 -8.999 1.00 36.69 H new ATOM 1745 N SER A 107 1.946 -6.586 -9.709 1.00 38.93 N ATOM 1746 CA SER A 107 1.460 -5.755 -10.792 1.00 37.37 C ATOM 1747 C SER A 107 0.539 -4.663 -10.282 1.00 36.23 C ATOM 1748 O SER A 107 0.340 -3.651 -10.947 1.00 36.54 O ATOM 1749 CB SER A 107 0.707 -6.625 -11.803 1.00 38.21 C ATOM 1750 OG SER A 107 -0.413 -5.936 -12.339 1.00 40.98 O ATOM 1751 H SER A 107 1.669 -7.545 -9.772 1.00 38.93 H new ATOM 1752 HA SER A 107 2.326 -5.277 -11.273 1.00 37.37 H new ATOM 1753 1HB SER A 107 0.372 -7.552 -11.316 1.00 38.21 H new ATOM 1754 2HB SER A 107 1.386 -6.917 -12.618 1.00 38.21 H new ATOM 1755 HG SER A 107 -0.884 -6.525 -12.996 1.00 40.98 H new ATOM 1756 N LYS A 108 -0.016 -4.860 -9.094 1.00 34.68 N ATOM 1757 CA LYS A 108 -0.951 -3.890 -8.548 1.00 33.70 C ATOM 1758 C LYS A 108 -0.669 -3.352 -7.151 1.00 30.29 C ATOM 1759 O LYS A 108 -1.509 -2.684 -6.574 1.00 28.89 O ATOM 1760 CB LYS A 108 -2.356 -4.486 -8.591 1.00 37.01 C ATOM 1761 CG LYS A 108 -2.470 -5.844 -7.934 1.00 42.46 C ATOM 1762 CD LYS A 108 -3.720 -6.584 -8.409 1.00 47.80 C ATOM 1763 CE LYS A 108 -4.993 -5.802 -8.098 1.00 51.37 C ATOM 1764 NZ LYS A 108 -6.218 -6.613 -8.368 1.00 54.72 N ATOM 1765 H LYS A 108 0.158 -5.653 -8.511 1.00 34.68 H new ATOM 1766 HA LYS A 108 -0.836 -3.006 -9.192 1.00 33.70 H new ATOM 1767 1HB LYS A 108 -3.052 -3.792 -8.098 1.00 37.01 H new ATOM 1768 2HB LYS A 108 -2.675 -4.570 -9.640 1.00 37.01 H new ATOM 1769 1HG LYS A 108 -1.576 -6.442 -8.164 1.00 42.46 H new ATOM 1770 2HG LYS A 108 -2.504 -5.724 -6.841 1.00 42.46 H new ATOM 1771 1HD LYS A 108 -3.653 -6.760 -9.493 1.00 47.80 H new ATOM 1772 2HD LYS A 108 -3.768 -7.571 -7.926 1.00 47.80 H new ATOM 1773 1HE LYS A 108 -4.984 -5.490 -7.043 1.00 51.37 H new ATOM 1774 2HE LYS A 108 -5.018 -4.885 -8.705 1.00 51.37 H new ATOM 1775 1HZ LYS A 108 -7.031 -6.071 -8.154 1.00 54.72 H + new ATOM 1776 2HZ LYS A 108 -6.238 -6.877 -9.332 1.00 54.72 H + new ATOM 1777 3HZ LYS A 108 -6.206 -7.435 -7.799 1.00 54.72 H + new ATOM 1778 N VAL A 109 0.512 -3.628 -6.616 1.00 29.74 N ATOM 1779 CA VAL A 109 0.865 -3.164 -5.284 1.00 27.89 C ATOM 1780 C VAL A 109 2.062 -2.235 -5.360 1.00 27.30 C ATOM 1781 O VAL A 109 3.012 -2.489 -6.098 1.00 26.15 O ATOM 1782 CB VAL A 109 1.200 -4.361 -4.349 1.00 29.58 C ATOM 1783 CG1 VAL A 109 1.870 -3.876 -3.084 1.00 29.40 C ATOM 1784 CG2 VAL A 109 -0.073 -5.108 -3.994 1.00 29.61 C ATOM 1785 H VAL A 109 1.225 -4.159 -7.074 1.00 29.74 H new ATOM 1786 HA VAL A 109 0.001 -2.624 -4.870 1.00 27.89 H new ATOM 1787 HB VAL A 109 1.889 -5.036 -4.879 1.00 29.58 H new ATOM 1788 1HG1 VAL A 109 2.099 -4.736 -2.437 1.00 29.40 H new ATOM 1789 2HG1 VAL A 109 2.803 -3.352 -3.340 1.00 29.40 H new ATOM 1790 3HG1 VAL A 109 1.197 -3.187 -2.553 1.00 29.40 H new ATOM 1791 1HG2 VAL A 109 0.169 -5.953 -3.333 1.00 29.61 H new ATOM 1792 2HG2 VAL A 109 -0.767 -4.427 -3.479 1.00 29.61 H new ATOM 1793 3HG2 VAL A 109 -0.546 -5.486 -4.913 1.00 29.61 H new ATOM 1794 N ASP A 110 2.001 -1.149 -4.598 1.00 26.73 N ATOM 1795 CA ASP A 110 3.076 -0.178 -4.561 1.00 26.43 C ATOM 1796 C ASP A 110 3.835 -0.380 -3.249 1.00 27.00 C ATOM 1797 O ASP A 110 4.800 -1.140 -3.194 1.00 29.97 O ATOM 1798 CB ASP A 110 2.500 1.243 -4.663 1.00 27.13 C ATOM 1799 CG ASP A 110 3.572 2.309 -4.848 1.00 27.38 C ATOM 1800 OD1 ASP A 110 4.548 2.040 -5.576 1.00 30.79 O ATOM 1801 OD2 ASP A 110 3.434 3.421 -4.285 1.00 25.46 O ATOM 1802 H ASP A 110 1.226 -0.927 -4.007 1.00 26.73 H new ATOM 1803 HA ASP A 110 3.763 -0.314 -5.409 1.00 26.43 H new ATOM 1804 1HB ASP A 110 1.797 1.288 -5.508 1.00 27.13 H new ATOM 1805 2HB ASP A 110 1.924 1.465 -3.753 1.00 27.13 H new ATOM 1806 N MET A 111 3.391 0.270 -2.182 1.00 25.15 N ATOM 1807 CA MET A 111 4.070 0.135 -0.903 1.00 23.07 C ATOM 1808 C MET A 111 3.421 -0.874 0.038 1.00 24.94 C ATOM 1809 O MET A 111 2.197 -1.057 0.031 1.00 24.32 O ATOM 1810 CB MET A 111 4.127 1.484 -0.210 1.00 20.92 C ATOM 1811 CG MET A 111 4.818 2.549 -1.003 1.00 22.31 C ATOM 1812 SD MET A 111 4.730 4.107 -0.127 1.00 25.03 S ATOM 1813 CE MET A 111 6.265 4.029 0.798 1.00 27.64 C ATOM 1814 H MET A 111 2.594 0.874 -2.176 1.00 25.15 H new ATOM 1815 HA MET A 111 5.078 -0.242 -1.132 1.00 23.07 H new ATOM 1816 1HB MET A 111 3.101 1.814 0.011 1.00 20.92 H new ATOM 1817 2HB MET A 111 4.643 1.367 0.755 1.00 20.92 H new ATOM 1818 1HG MET A 111 5.869 2.271 -1.172 1.00 22.31 H new ATOM 1819 2HG MET A 111 4.348 2.646 -1.993 1.00 22.31 H new ATOM 1820 1HE MET A 111 6.372 4.937 1.409 1.00 27.64 H new ATOM 1821 2HE MET A 111 6.254 3.146 1.454 1.00 27.64 H new ATOM 1822 3HE MET A 111 7.111 3.956 0.099 1.00 27.64 H new ATOM 1823 N VAL A 112 4.246 -1.530 0.849 1.00 22.96 N ATOM 1824 CA VAL A 112 3.736 -2.485 1.824 1.00 22.02 C ATOM 1825 C VAL A 112 3.980 -1.930 3.226 1.00 22.52 C ATOM 1826 O VAL A 112 5.107 -1.542 3.568 1.00 20.24 O ATOM 1827 CB VAL A 112 4.412 -3.864 1.712 1.00 20.68 C ATOM 1828 CG1 VAL A 112 3.891 -4.776 2.813 1.00 22.17 C ATOM 1829 CG2 VAL A 112 4.119 -4.479 0.350 1.00 21.35 C ATOM 1830 H VAL A 112 5.240 -1.421 0.850 1.00 22.96 H new ATOM 1831 HA VAL A 112 2.663 -2.624 1.625 1.00 22.02 H new ATOM 1832 HB VAL A 112 5.500 -3.744 1.822 1.00 20.68 H new ATOM 1833 1HG1 VAL A 112 4.374 -5.761 2.733 1.00 22.17 H new ATOM 1834 2HG1 VAL A 112 4.120 -4.335 3.794 1.00 22.17 H new ATOM 1835 3HG1 VAL A 112 2.802 -4.892 2.709 1.00 22.17 H new ATOM 1836 1HG2 VAL A 112 4.606 -5.463 0.279 1.00 21.35 H new ATOM 1837 2HG2 VAL A 112 3.032 -4.598 0.227 1.00 21.35 H new ATOM 1838 3HG2 VAL A 112 4.507 -3.821 -0.441 1.00 21.35 H new ATOM 1839 N TRP A 113 2.910 -1.901 4.022 1.00 21.20 N ATOM 1840 CA TRP A 113 2.942 -1.390 5.387 1.00 19.89 C ATOM 1841 C TRP A 113 2.575 -2.428 6.437 1.00 19.92 C ATOM 1842 O TRP A 113 1.532 -3.058 6.342 1.00 22.48 O ATOM 1843 CB TRP A 113 1.957 -0.218 5.533 1.00 18.97 C ATOM 1844 CG TRP A 113 2.281 0.963 4.688 1.00 18.05 C ATOM 1845 CD1 TRP A 113 1.999 1.133 3.364 1.00 16.63 C ATOM 1846 CD2 TRP A 113 3.054 2.099 5.088 1.00 17.94 C ATOM 1847 NE1 TRP A 113 2.561 2.302 2.907 1.00 18.19 N ATOM 1848 CE2 TRP A 113 3.215 2.915 3.945 1.00 18.47 C ATOM 1849 CE3 TRP A 113 3.629 2.506 6.305 1.00 13.45 C ATOM 1850 CZ2 TRP A 113 3.931 4.115 3.979 1.00 19.01 C ATOM 1851 CZ3 TRP A 113 4.334 3.693 6.343 1.00 17.25 C ATOM 1852 CH2 TRP A 113 4.483 4.489 5.182 1.00 20.15 C ATOM 1853 H TRP A 113 2.009 -2.228 3.738 1.00 21.20 H new ATOM 1854 HA TRP A 113 3.982 -1.078 5.561 1.00 19.89 H new ATOM 1855 1HB TRP A 113 0.946 -0.570 5.278 1.00 18.97 H new ATOM 1856 2HB TRP A 113 1.932 0.096 6.587 1.00 18.97 H new ATOM 1857 HD1 TRP A 113 1.408 0.436 2.751 1.00 16.63 H new ATOM 1858 HE1 TRP A 113 2.502 2.648 1.971 1.00 18.19 H new ATOM 1859 HE3 TRP A 113 3.519 1.890 7.210 1.00 13.45 H new ATOM 1860 HZ2 TRP A 113 4.048 4.736 3.079 1.00 19.01 H new ATOM 1861 HZ3 TRP A 113 4.786 4.025 7.289 1.00 17.25 H new ATOM 1862 HH2 TRP A 113 5.053 5.428 5.243 1.00 20.15 H new ATOM 1863 N ILE A 114 3.427 -2.615 7.435 1.00 19.90 N ATOM 1864 CA ILE A 114 3.102 -3.527 8.526 1.00 20.27 C ATOM 1865 C ILE A 114 2.458 -2.534 9.487 1.00 19.86 C ATOM 1866 O ILE A 114 3.085 -1.539 9.846 1.00 19.80 O ATOM 1867 CB ILE A 114 4.356 -4.111 9.192 1.00 21.59 C ATOM 1868 CG1 ILE A 114 5.290 -4.732 8.142 1.00 22.60 C ATOM 1869 CG2 ILE A 114 3.945 -5.142 10.215 1.00 23.77 C ATOM 1870 CD1 ILE A 114 4.734 -5.914 7.413 1.00 21.27 C ATOM 1871 H ILE A 114 4.317 -2.165 7.512 1.00 19.90 H new ATOM 1872 HA ILE A 114 2.503 -4.397 8.219 1.00 20.27 H new ATOM 1873 HB ILE A 114 4.907 -3.302 9.695 1.00 21.59 H new ATOM 1874 1HG1 ILE A 114 5.553 -3.958 7.406 1.00 22.60 H new ATOM 1875 2HG1 ILE A 114 6.224 -5.034 8.639 1.00 22.60 H new ATOM 1876 1HG2 ILE A 114 4.842 -5.562 10.694 1.00 23.77 H new ATOM 1877 2HG2 ILE A 114 3.310 -4.669 10.978 1.00 23.77 H new ATOM 1878 3HG2 ILE A 114 3.383 -5.947 9.719 1.00 23.77 H new ATOM 1879 1HD1 ILE A 114 5.476 -6.281 6.689 1.00 21.27 H new ATOM 1880 2HD1 ILE A 114 4.499 -6.712 8.133 1.00 21.27 H new ATOM 1881 3HD1 ILE A 114 3.818 -5.619 6.881 1.00 21.27 H new ATOM 1882 N VAL A 115 1.218 -2.769 9.900 1.00 20.20 N ATOM 1883 CA VAL A 115 0.570 -1.790 10.767 1.00 20.02 C ATOM 1884 C VAL A 115 0.048 -2.280 12.104 1.00 21.73 C ATOM 1885 O VAL A 115 -0.481 -1.487 12.893 1.00 21.68 O ATOM 1886 CB VAL A 115 -0.630 -1.098 10.050 1.00 19.17 C ATOM 1887 CG1 VAL A 115 -0.260 -0.755 8.617 1.00 16.31 C ATOM 1888 CG2 VAL A 115 -1.870 -1.987 10.116 1.00 13.08 C ATOM 1889 H VAL A 115 0.672 -3.574 9.668 1.00 20.20 H new ATOM 1890 HA VAL A 115 1.404 -1.105 10.981 1.00 20.02 H new ATOM 1891 HB VAL A 115 -0.866 -0.157 10.568 1.00 19.17 H new ATOM 1892 1HG1 VAL A 115 -1.114 -0.268 8.124 1.00 16.31 H new ATOM 1893 2HG1 VAL A 115 0.602 -0.072 8.614 1.00 16.31 H new ATOM 1894 3HG1 VAL A 115 -0.000 -1.676 8.074 1.00 16.31 H new ATOM 1895 1HG2 VAL A 115 -2.708 -1.487 9.607 1.00 13.08 H new ATOM 1896 2HG2 VAL A 115 -1.661 -2.947 9.621 1.00 13.08 H new ATOM 1897 3HG2 VAL A 115 -2.136 -2.168 11.168 1.00 13.08 H new ATOM 1898 N GLY A 116 0.189 -3.562 12.395 1.00 23.36 N ATOM 1899 CA GLY A 116 -0.372 -3.990 13.657 1.00 26.06 C ATOM 1900 C GLY A 116 0.065 -5.310 14.218 1.00 27.19 C ATOM 1901 O GLY A 116 -0.017 -6.338 13.552 1.00 26.87 O ATOM 1902 H GLY A 116 0.640 -4.258 11.837 1.00 23.36 H new ATOM 1903 1HA GLY A 116 -0.145 -3.216 14.405 1.00 26.06 H new ATOM 1904 2HA GLY A 116 -1.466 -4.018 13.545 1.00 26.06 H new ATOM 1905 N GLY A 117 0.504 -5.251 15.475 1.00 28.85 N ATOM 1906 CA GLY A 117 0.972 -6.408 16.188 1.00 26.58 C ATOM 1907 C GLY A 117 2.344 -6.212 16.747 1.00 28.09 C ATOM 1908 O GLY A 117 3.271 -5.884 16.013 1.00 30.90 O ATOM 1909 H GLY A 117 0.539 -4.405 16.007 1.00 28.85 H new ATOM 1910 1HA GLY A 117 0.274 -6.639 17.007 1.00 26.58 H new ATOM 1911 2HA GLY A 117 0.974 -7.276 15.513 1.00 26.58 H new ATOM 1912 N SER A 118 2.475 -6.394 18.052 1.00 27.73 N ATOM 1913 CA SER A 118 3.768 -6.273 18.687 1.00 29.06 C ATOM 1914 C SER A 118 4.534 -7.444 18.100 1.00 29.49 C ATOM 1915 O SER A 118 5.715 -7.340 17.785 1.00 31.80 O ATOM 1916 CB SER A 118 3.622 -6.450 20.190 1.00 31.03 C ATOM 1917 OG SER A 118 2.358 -5.968 20.604 1.00 36.29 O ATOM 1918 H SER A 118 1.722 -6.619 18.670 1.00 27.73 H new ATOM 1919 HA SER A 118 4.254 -5.300 18.524 1.00 29.06 H new ATOM 1920 1HB SER A 118 4.423 -5.907 20.713 1.00 31.03 H new ATOM 1921 2HB SER A 118 3.726 -7.512 20.457 1.00 31.03 H new ATOM 1922 HG SER A 118 2.473 -5.097 21.082 1.00 36.29 H new ATOM 1923 N SER A 119 3.826 -8.556 17.932 1.00 30.94 N ATOM 1924 CA SER A 119 4.398 -9.782 17.382 1.00 30.81 C ATOM 1925 C SER A 119 4.809 -9.624 15.925 1.00 29.54 C ATOM 1926 O SER A 119 5.886 -10.073 15.530 1.00 29.13 O ATOM 1927 CB SER A 119 3.393 -10.937 17.529 1.00 33.73 C ATOM 1928 OG SER A 119 2.058 -10.457 17.651 1.00 36.69 O ATOM 1929 H SER A 119 2.857 -8.632 18.169 1.00 30.94 H new ATOM 1930 HA SER A 119 5.310 -10.008 17.953 1.00 30.81 H new ATOM 1931 1HB SER A 119 3.650 -11.538 18.414 1.00 33.73 H new ATOM 1932 2HB SER A 119 3.466 -11.602 16.656 1.00 33.73 H new ATOM 1933 HG SER A 119 1.432 -11.231 17.743 1.00 36.69 H new ATOM 1934 N VAL A 120 3.949 -8.986 15.131 1.00 28.41 N ATOM 1935 CA VAL A 120 4.228 -8.766 13.714 1.00 25.74 C ATOM 1936 C VAL A 120 5.397 -7.783 13.564 1.00 27.35 C ATOM 1937 O VAL A 120 6.296 -7.977 12.732 1.00 28.95 O ATOM 1938 CB VAL A 120 2.988 -8.217 12.994 1.00 23.70 C ATOM 1939 CG1 VAL A 120 3.237 -8.173 11.506 1.00 22.58 C ATOM 1940 CG2 VAL A 120 1.780 -9.081 13.310 1.00 19.83 C ATOM 1941 H VAL A 120 3.071 -8.620 15.440 1.00 28.41 H new ATOM 1942 HA VAL A 120 4.497 -9.729 13.256 1.00 25.74 H new ATOM 1943 HB VAL A 120 2.786 -7.194 13.346 1.00 23.70 H new ATOM 1944 1HG1 VAL A 120 2.346 -7.779 10.996 1.00 22.58 H new ATOM 1945 2HG1 VAL A 120 4.097 -7.520 11.297 1.00 22.58 H new ATOM 1946 3HG1 VAL A 120 3.450 -9.188 11.139 1.00 22.58 H new ATOM 1947 1HG2 VAL A 120 0.897 -8.681 12.791 1.00 19.83 H new ATOM 1948 2HG2 VAL A 120 1.967 -10.111 12.973 1.00 19.83 H new ATOM 1949 3HG2 VAL A 120 1.600 -9.077 14.395 1.00 19.83 H new ATOM 1950 N TYR A 121 5.375 -6.724 14.368 1.00 26.21 N ATOM 1951 CA TYR A 121 6.450 -5.735 14.360 1.00 26.99 C ATOM 1952 C TYR A 121 7.762 -6.479 14.628 1.00 29.36 C ATOM 1953 O TYR A 121 8.715 -6.378 13.856 1.00 28.37 O ATOM 1954 CB TYR A 121 6.229 -4.703 15.468 1.00 23.94 C ATOM 1955 CG TYR A 121 5.132 -3.702 15.210 1.00 20.14 C ATOM 1956 CD1 TYR A 121 4.339 -3.230 16.257 1.00 20.97 C ATOM 1957 CD2 TYR A 121 4.929 -3.172 13.941 1.00 18.76 C ATOM 1958 CE1 TYR A 121 3.369 -2.249 16.045 1.00 19.68 C ATOM 1959 CE2 TYR A 121 3.967 -2.189 13.718 1.00 16.93 C ATOM 1960 CZ TYR A 121 3.196 -1.734 14.770 1.00 17.66 C ATOM 1961 OH TYR A 121 2.254 -0.759 14.542 1.00 21.70 O ATOM 1962 H TYR A 121 4.641 -6.532 15.019 1.00 26.21 H new ATOM 1963 HA TYR A 121 6.476 -5.213 13.392 1.00 26.99 H new ATOM 1964 1HB TYR A 121 6.002 -5.237 16.403 1.00 23.94 H new ATOM 1965 2HB TYR A 121 7.170 -4.157 15.630 1.00 23.94 H new ATOM 1966 HD1 TYR A 121 4.481 -3.639 17.268 1.00 20.97 H new ATOM 1967 HD2 TYR A 121 5.538 -3.534 13.099 1.00 18.76 H new ATOM 1968 HE1 TYR A 121 2.749 -1.889 16.880 1.00 19.68 H new ATOM 1969 HE2 TYR A 121 3.822 -1.777 12.708 1.00 16.93 H new ATOM 1970 HH TYR A 121 2.413 -0.344 13.646 1.00 21.70 H new ATOM 1971 N GLN A 122 7.789 -7.229 15.733 1.00 32.22 N ATOM 1972 CA GLN A 122 8.957 -8.005 16.136 1.00 34.60 C ATOM 1973 C GLN A 122 9.472 -8.908 15.028 1.00 37.25 C ATOM 1974 O GLN A 122 10.649 -8.839 14.682 1.00 38.35 O ATOM 1975 CB GLN A 122 8.639 -8.852 17.368 1.00 36.20 C ATOM 1976 CG GLN A 122 8.508 -8.045 18.664 1.00 40.33 C ATOM 1977 CD GLN A 122 7.579 -8.705 19.681 1.00 40.26 C ATOM 1978 OE1 GLN A 122 7.046 -9.866 19.331 1.00 38.72 O flip ATOM 1979 NE2 GLN A 122 7.345 -8.173 20.764 1.00 44.18 N flip ATOM 1980 H GLN A 122 7.014 -7.311 16.360 1.00 32.22 H new ATOM 1981 HA GLN A 122 9.747 -7.277 16.371 1.00 34.60 H new ATOM 1982 1HB GLN A 122 7.700 -9.398 17.192 1.00 36.20 H new ATOM 1983 2HB GLN A 122 9.430 -9.605 17.496 1.00 36.20 H new ATOM 1984 1HG GLN A 122 9.504 -7.917 19.113 1.00 40.33 H new ATOM 1985 2HG GLN A 122 8.130 -7.039 18.428 1.00 40.33 H new ATOM 1986 1HE2 GLN A 122 6.733 -8.618 21.418 1.00 44.18 H new ATOM 1987 2HE2 GLN A 122 7.767 -7.295 20.992 1.00 44.18 H new ATOM 1988 N GLU A 123 8.612 -9.753 14.463 1.00 39.15 N ATOM 1989 CA GLU A 123 9.079 -10.648 13.406 1.00 40.79 C ATOM 1990 C GLU A 123 9.448 -9.911 12.124 1.00 40.54 C ATOM 1991 O GLU A 123 10.261 -10.401 11.339 1.00 40.31 O ATOM 1992 CB GLU A 123 8.051 -11.734 13.081 1.00 43.19 C ATOM 1993 CG GLU A 123 8.735 -13.021 12.611 1.00 46.84 C ATOM 1994 CD GLU A 123 7.851 -13.910 11.766 1.00 48.40 C ATOM 1995 OE1 GLU A 123 6.713 -14.194 12.195 1.00 49.55 O ATOM 1996 OE2 GLU A 123 8.302 -14.331 10.673 1.00 50.12 O ATOM 1997 H GLU A 123 7.644 -9.836 14.702 1.00 39.15 H new ATOM 1998 HA GLU A 123 9.989 -11.117 13.807 1.00 40.79 H new ATOM 1999 1HB GLU A 123 7.441 -11.944 13.972 1.00 43.19 H new ATOM 2000 2HB GLU A 123 7.366 -11.373 12.300 1.00 43.19 H new ATOM 2001 1HG GLU A 123 9.633 -12.757 12.033 1.00 46.84 H new ATOM 2002 2HG GLU A 123 9.074 -13.587 13.491 1.00 46.84 H new ATOM 2003 N ALA A 124 8.846 -8.745 11.904 1.00 41.07 N ATOM 2004 CA ALA A 124 9.149 -7.950 10.719 1.00 41.21 C ATOM 2005 C ALA A 124 10.579 -7.421 10.835 1.00 42.28 C ATOM 2006 O ALA A 124 11.353 -7.493 9.887 1.00 41.77 O ATOM 2007 CB ALA A 124 8.167 -6.793 10.595 1.00 39.59 C ATOM 2008 H ALA A 124 8.164 -8.341 12.514 1.00 41.07 H new ATOM 2009 HA ALA A 124 9.057 -8.576 9.819 1.00 41.21 H new ATOM 2010 1HB ALA A 124 8.407 -6.202 9.698 1.00 39.59 H new ATOM 2011 2HB ALA A 124 7.144 -7.187 10.511 1.00 39.59 H new ATOM 2012 3HB ALA A 124 8.240 -6.152 11.486 1.00 39.59 H new ATOM 2013 N MET A 125 10.922 -6.908 12.015 1.00 44.63 N ATOM 2014 CA MET A 125 12.254 -6.360 12.293 1.00 47.80 C ATOM 2015 C MET A 125 13.342 -7.441 12.401 1.00 49.58 C ATOM 2016 O MET A 125 14.499 -7.210 12.044 1.00 48.78 O ATOM 2017 CB MET A 125 12.217 -5.549 13.597 1.00 48.16 C ATOM 2018 CG MET A 125 11.265 -4.348 13.577 1.00 47.71 C ATOM 2019 SD MET A 125 10.978 -3.609 15.218 1.00 46.51 S ATOM 2020 CE MET A 125 11.990 -2.138 15.131 1.00 48.03 C ATOM 2021 H MET A 125 10.297 -6.860 12.794 1.00 44.63 H new ATOM 2022 HA MET A 125 12.517 -5.718 11.439 1.00 47.80 H new ATOM 2023 1HB MET A 125 11.925 -6.217 14.420 1.00 48.16 H new ATOM 2024 2HB MET A 125 13.233 -5.191 13.819 1.00 48.16 H new ATOM 2025 1HG MET A 125 11.674 -3.579 12.906 1.00 47.71 H new ATOM 2026 2HG MET A 125 10.300 -4.664 13.154 1.00 47.71 H new ATOM 2027 1HE MET A 125 12.717 -2.143 15.957 1.00 48.03 H new ATOM 2028 2HE MET A 125 12.526 -2.118 14.171 1.00 48.03 H new ATOM 2029 3HE MET A 125 11.350 -1.247 15.212 1.00 48.03 H new ATOM 2030 N ASN A 126 12.960 -8.612 12.906 1.00 52.31 N ATOM 2031 CA ASN A 126 13.874 -9.742 13.078 1.00 53.45 C ATOM 2032 C ASN A 126 14.224 -10.423 11.772 1.00 53.41 C ATOM 2033 O ASN A 126 14.273 -11.651 11.719 1.00 54.11 O ATOM 2034 CB ASN A 126 13.256 -10.791 14.008 1.00 54.65 C ATOM 2035 CG ASN A 126 13.477 -10.477 15.465 1.00 56.97 C ATOM 2036 OD1 ASN A 126 13.679 -9.319 15.837 1.00 60.11 O ATOM 2037 ND2 ASN A 126 13.428 -11.507 16.310 1.00 57.16 N ATOM 2038 H ASN A 126 12.024 -8.802 13.203 1.00 52.31 H new ATOM 2039 HA ASN A 126 14.795 -9.323 13.509 1.00 53.45 H new ATOM 2040 1HB ASN A 126 12.176 -10.859 13.811 1.00 54.65 H new ATOM 2041 2HB ASN A 126 13.687 -11.777 13.780 1.00 54.65 H new ATOM 2042 1HD2 ASN A 126 13.558 -11.356 17.290 1.00 57.16 H new ATOM 2043 2HD2 ASN A 126 13.261 -12.430 15.964 1.00 57.16 H new ATOM 2044 N GLN A 127 14.467 -9.649 10.720 1.00 52.22 N ATOM 2045 CA GLN A 127 14.803 -10.260 9.447 1.00 52.91 C ATOM 2046 C GLN A 127 15.330 -9.278 8.417 1.00 53.27 C ATOM 2047 O GLN A 127 14.750 -8.216 8.205 1.00 54.84 O ATOM 2048 CB GLN A 127 13.586 -10.996 8.883 1.00 54.17 C ATOM 2049 CG GLN A 127 12.516 -10.115 8.273 1.00 52.74 C ATOM 2050 CD GLN A 127 11.254 -10.899 7.977 1.00 53.64 C ATOM 2051 OE1 GLN A 127 11.075 -12.020 8.674 1.00 54.10 O flip ATOM 2052 NE2 GLN A 127 10.443 -10.501 7.141 1.00 53.37 N flip ATOM 2053 H GLN A 127 14.439 -8.649 10.723 1.00 52.22 H new ATOM 2054 HA GLN A 127 15.621 -10.966 9.652 1.00 52.91 H new ATOM 2055 1HB GLN A 127 13.932 -11.706 8.118 1.00 54.17 H new ATOM 2056 2HB GLN A 127 13.132 -11.589 9.690 1.00 54.17 H new ATOM 2057 1HG GLN A 127 12.283 -9.288 8.961 1.00 52.74 H new ATOM 2058 2HG GLN A 127 12.896 -9.664 7.344 1.00 52.74 H new ATOM 2059 1HE2 GLN A 127 9.610 -11.025 6.963 1.00 53.37 H new ATOM 2060 2HE2 GLN A 127 10.617 -9.653 6.640 1.00 53.37 H new ATOM 2061 N PRO A 128 16.437 -9.643 7.747 1.00 52.66 N ATOM 2062 CA PRO A 128 17.148 -8.884 6.711 1.00 50.07 C ATOM 2063 C PRO A 128 16.282 -8.226 5.648 1.00 45.66 C ATOM 2064 O PRO A 128 15.218 -8.724 5.295 1.00 44.69 O ATOM 2065 CB PRO A 128 18.091 -9.923 6.114 1.00 52.23 C ATOM 2066 CG PRO A 128 18.454 -10.728 7.302 1.00 55.22 C ATOM 2067 CD PRO A 128 17.104 -10.938 7.971 1.00 53.87 C ATOM 2068 HA PRO A 128 17.646 -8.008 7.151 1.00 50.07 H new ATOM 2069 1HB PRO A 128 17.598 -10.530 5.340 1.00 52.23 H new ATOM 2070 2HB PRO A 128 18.972 -9.459 5.646 1.00 52.23 H new ATOM 2071 1HG PRO A 128 18.928 -11.681 7.024 1.00 55.22 H new ATOM 2072 2HG PRO A 128 19.160 -10.198 7.958 1.00 55.22 H new ATOM 2073 1HD PRO A 128 16.546 -11.771 7.517 1.00 53.87 H new ATOM 2074 2HD PRO A 128 17.208 -11.166 9.042 1.00 53.87 H new ATOM 2075 N GLY A 129 16.768 -7.103 5.136 1.00 41.44 N ATOM 2076 CA GLY A 129 16.043 -6.385 4.117 1.00 36.61 C ATOM 2077 C GLY A 129 15.949 -4.905 4.409 1.00 34.73 C ATOM 2078 O GLY A 129 16.133 -4.452 5.538 1.00 34.37 O ATOM 2079 H GLY A 129 17.636 -6.687 5.406 1.00 41.44 H new ATOM 2080 1HA GLY A 129 16.538 -6.533 3.146 1.00 36.61 H new ATOM 2081 2HA GLY A 129 15.029 -6.803 4.029 1.00 36.61 H new ATOM 2082 N HIS A 130 15.666 -4.147 3.365 1.00 33.13 N ATOM 2083 CA HIS A 130 15.515 -2.716 3.481 1.00 33.66 C ATOM 2084 C HIS A 130 14.236 -2.485 4.283 1.00 31.98 C ATOM 2085 O HIS A 130 13.137 -2.692 3.773 1.00 30.82 O ATOM 2086 CB HIS A 130 15.416 -2.115 2.074 1.00 37.21 C ATOM 2087 CG HIS A 130 15.204 -0.637 2.054 1.00 40.20 C ATOM 2088 ND1 HIS A 130 14.657 0.171 1.117 1.00 44.39 N flip ATOM 2089 CD2 HIS A 130 15.604 0.186 3.084 1.00 42.86 C flip ATOM 2090 CE1 HIS A 130 14.734 1.456 1.595 1.00 45.23 C flip ATOM 2091 NE2 HIS A 130 15.310 1.438 2.783 1.00 44.67 N flip ATOM 2092 H HIS A 130 15.538 -4.501 2.438 1.00 33.13 H new ATOM 2093 HA HIS A 130 16.367 -2.237 3.986 1.00 33.66 H new ATOM 2094 1HB HIS A 130 16.338 -2.349 1.522 1.00 37.21 H new ATOM 2095 2HB HIS A 130 14.587 -2.600 1.538 1.00 37.21 H new ATOM 2097 HD2 HIS A 130 16.092 -0.147 4.012 1.00 42.86 H new ATOM 2098 HE1 HIS A 130 14.374 2.355 1.073 1.00 45.23 H new ATOM 2099 HE2 HIS A 130 15.493 2.236 3.357 1.00 44.67 H new ATOM 2100 N LEU A 131 14.387 -2.082 5.544 1.00 29.95 N ATOM 2101 CA LEU A 131 13.239 -1.840 6.410 1.00 30.40 C ATOM 2102 C LEU A 131 13.183 -0.398 6.932 1.00 30.52 C ATOM 2103 O LEU A 131 14.204 0.191 7.276 1.00 33.92 O ATOM 2104 CB LEU A 131 13.252 -2.820 7.591 1.00 30.82 C ATOM 2105 CG LEU A 131 12.015 -2.782 8.498 1.00 31.62 C ATOM 2106 CD1 LEU A 131 10.874 -3.495 7.819 1.00 32.38 C ATOM 2107 CD2 LEU A 131 12.302 -3.441 9.822 1.00 34.63 C ATOM 2108 H LEU A 131 15.274 -1.920 5.977 1.00 29.95 H new ATOM 2109 HA LEU A 131 12.339 -2.000 5.798 1.00 30.40 H new ATOM 2110 1HB LEU A 131 13.363 -3.841 7.196 1.00 30.82 H new ATOM 2111 2HB LEU A 131 14.141 -2.614 8.205 1.00 30.82 H new ATOM 2112 HG LEU A 131 11.746 -1.731 8.681 1.00 31.62 H new ATOM 2113 1HD1 LEU A 131 9.986 -3.469 8.468 1.00 32.38 H new ATOM 2114 2HD1 LEU A 131 10.645 -2.997 6.865 1.00 32.38 H new ATOM 2115 3HD1 LEU A 131 11.157 -4.541 7.627 1.00 32.38 H new ATOM 2116 1HD2 LEU A 131 11.403 -3.402 10.454 1.00 34.63 H new ATOM 2117 2HD2 LEU A 131 12.587 -4.490 9.656 1.00 34.63 H new ATOM 2118 3HD2 LEU A 131 13.126 -2.913 10.324 1.00 34.63 H new ATOM 2119 N ARG A 132 11.976 0.159 6.982 1.00 30.37 N ATOM 2120 CA ARG A 132 11.748 1.527 7.446 1.00 30.23 C ATOM 2121 C ARG A 132 10.685 1.579 8.526 1.00 29.60 C ATOM 2122 O ARG A 132 9.634 0.939 8.410 1.00 28.99 O ATOM 2123 CB ARG A 132 11.282 2.430 6.302 1.00 31.13 C ATOM 2124 CG ARG A 132 12.350 2.804 5.322 1.00 32.80 C ATOM 2125 CD ARG A 132 11.793 3.668 4.214 1.00 31.08 C ATOM 2126 NE ARG A 132 12.857 3.985 3.275 1.00 38.23 N ATOM 2127 CZ ARG A 132 12.684 4.647 2.141 1.00 41.89 C ATOM 2128 NH1 ARG A 132 11.475 5.067 1.798 1.00 43.72 N ATOM 2129 NH2 ARG A 132 13.725 4.885 1.351 1.00 43.89 N ATOM 2130 H ARG A 132 11.141 -0.317 6.706 1.00 30.37 H new ATOM 2131 HA ARG A 132 12.710 1.879 7.845 1.00 30.23 H new ATOM 2132 1HB ARG A 132 10.469 1.923 5.761 1.00 31.13 H new ATOM 2133 2HB ARG A 132 10.858 3.351 6.730 1.00 31.13 H new ATOM 2134 1HG ARG A 132 13.157 3.342 5.841 1.00 32.80 H new ATOM 2135 2HG ARG A 132 12.795 1.894 4.894 1.00 32.80 H new ATOM 2136 1HD ARG A 132 10.976 3.143 3.698 1.00 31.08 H new ATOM 2137 2HD ARG A 132 11.368 4.593 4.632 1.00 31.08 H new ATOM 2138 HE ARG A 132 13.783 3.682 3.501 1.00 38.23 H + new ATOM 2139 1HH1 ARG A 132 10.694 4.884 2.395 1.00 43.72 H + new ATOM 2140 2HH1 ARG A 132 11.344 5.567 0.942 1.00 43.72 H + new ATOM 2141 1HH2 ARG A 132 14.635 4.565 1.613 1.00 43.89 H + new ATOM 2142 2HH2 ARG A 132 13.598 5.384 0.494 1.00 43.89 H + new ATOM 2143 N LEU A 133 10.952 2.376 9.555 1.00 25.50 N ATOM 2144 CA LEU A 133 10.029 2.539 10.658 1.00 24.50 C ATOM 2145 C LEU A 133 9.488 3.962 10.721 1.00 22.99 C ATOM 2146 O LEU A 133 10.247 4.922 10.831 1.00 24.43 O ATOM 2147 CB LEU A 133 10.728 2.223 11.981 1.00 26.58 C ATOM 2148 CG LEU A 133 11.348 0.845 12.188 1.00 25.61 C ATOM 2149 CD1 LEU A 133 12.032 0.813 13.549 1.00 24.01 C ATOM 2150 CD2 LEU A 133 10.268 -0.225 12.087 1.00 25.03 C ATOM 2151 H LEU A 133 11.793 2.910 9.641 1.00 25.50 H new ATOM 2152 HA LEU A 133 9.192 1.844 10.495 1.00 24.50 H new ATOM 2153 1HB LEU A 133 11.525 2.968 12.120 1.00 26.58 H new ATOM 2154 2HB LEU A 133 9.996 2.381 12.787 1.00 26.58 H new ATOM 2155 HG LEU A 133 12.098 0.642 11.410 1.00 25.61 H new ATOM 2156 1HD1 LEU A 133 12.483 -0.177 13.710 1.00 24.01 H new ATOM 2157 2HD1 LEU A 133 12.817 1.583 13.584 1.00 24.01 H new ATOM 2158 3HD1 LEU A 133 11.290 1.010 14.337 1.00 24.01 H new ATOM 2159 1HD2 LEU A 133 10.719 -1.217 12.237 1.00 25.03 H new ATOM 2160 2HD2 LEU A 133 9.504 -0.050 12.859 1.00 25.03 H new ATOM 2161 3HD2 LEU A 133 9.800 -0.182 11.092 1.00 25.03 H new ATOM 2162 N PHE A 134 8.174 4.102 10.650 1.00 21.97 N ATOM 2163 CA PHE A 134 7.573 5.418 10.748 1.00 19.87 C ATOM 2164 C PHE A 134 6.975 5.431 12.140 1.00 21.03 C ATOM 2165 O PHE A 134 5.976 4.771 12.405 1.00 22.24 O ATOM 2166 CB PHE A 134 6.502 5.612 9.675 1.00 18.35 C ATOM 2167 CG PHE A 134 7.049 5.647 8.276 1.00 16.47 C ATOM 2168 CD1 PHE A 134 7.485 4.477 7.651 1.00 15.69 C ATOM 2169 CD2 PHE A 134 7.160 6.853 7.591 1.00 17.60 C ATOM 2170 CE1 PHE A 134 8.023 4.503 6.362 1.00 11.59 C ATOM 2171 CE2 PHE A 134 7.701 6.890 6.294 1.00 18.32 C ATOM 2172 CZ PHE A 134 8.134 5.707 5.684 1.00 15.38 C ATOM 2173 H PHE A 134 7.527 3.349 10.529 1.00 21.97 H new ATOM 2174 HA PHE A 134 8.293 6.234 10.590 1.00 19.87 H new ATOM 2175 1HB PHE A 134 5.767 4.797 9.752 1.00 18.35 H new ATOM 2176 2HB PHE A 134 5.964 6.551 9.872 1.00 18.35 H new ATOM 2177 HD1 PHE A 134 7.403 3.518 8.183 1.00 15.69 H new ATOM 2178 HD2 PHE A 134 6.822 7.785 8.068 1.00 17.60 H new ATOM 2179 HE1 PHE A 134 8.358 3.570 5.886 1.00 11.59 H new ATOM 2180 HE2 PHE A 134 7.784 7.848 5.759 1.00 18.32 H new ATOM 2181 HZ PHE A 134 8.561 5.733 4.670 1.00 15.38 H new ATOM 2182 N VAL A 135 7.620 6.174 13.035 1.00 22.30 N ATOM 2183 CA VAL A 135 7.213 6.252 14.434 1.00 18.43 C ATOM 2184 C VAL A 135 6.575 7.584 14.820 1.00 20.49 C ATOM 2185 O VAL A 135 7.112 8.654 14.523 1.00 22.49 O ATOM 2186 CB VAL A 135 8.441 6.039 15.359 1.00 16.39 C ATOM 2187 CG1 VAL A 135 8.002 5.915 16.808 1.00 14.81 C ATOM 2188 CG2 VAL A 135 9.215 4.828 14.920 1.00 11.82 C ATOM 2189 H VAL A 135 8.423 6.728 12.815 1.00 22.30 H new ATOM 2190 HA VAL A 135 6.458 5.462 14.561 1.00 18.43 H new ATOM 2191 HB VAL A 135 9.101 6.915 15.282 1.00 16.39 H new ATOM 2192 1HG1 VAL A 135 8.884 5.765 17.447 1.00 14.81 H new ATOM 2193 2HG1 VAL A 135 7.480 6.834 17.114 1.00 14.81 H new ATOM 2194 3HG1 VAL A 135 7.323 5.056 16.914 1.00 14.81 H new ATOM 2195 1HG2 VAL A 135 10.082 4.687 15.582 1.00 11.82 H new ATOM 2196 2HG2 VAL A 135 8.567 3.940 14.970 1.00 11.82 H new ATOM 2197 3HG2 VAL A 135 9.563 4.969 13.886 1.00 11.82 H new ATOM 2198 N THR A 136 5.419 7.515 15.470 1.00 18.61 N ATOM 2199 CA THR A 136 4.756 8.712 15.944 1.00 18.45 C ATOM 2200 C THR A 136 5.117 8.717 17.420 1.00 21.98 C ATOM 2201 O THR A 136 4.734 7.818 18.170 1.00 24.28 O ATOM 2202 CB THR A 136 3.230 8.637 15.781 1.00 15.60 C ATOM 2203 OG1 THR A 136 2.907 8.570 14.392 1.00 16.49 O ATOM 2204 CG2 THR A 136 2.570 9.868 16.363 1.00 13.41 C ATOM 2205 H THR A 136 4.938 6.662 15.673 1.00 18.61 H new ATOM 2206 HA THR A 136 5.063 9.611 15.389 1.00 18.45 H new ATOM 2207 HB THR A 136 2.867 7.743 16.310 1.00 15.60 H new ATOM 2208 HG1 THR A 136 1.920 8.452 14.284 1.00 16.49 H new ATOM 2209 1HG2 THR A 136 1.480 9.795 16.236 1.00 13.41 H new ATOM 2210 2HG2 THR A 136 2.810 9.942 17.434 1.00 13.41 H new ATOM 2211 3HG2 THR A 136 2.940 10.764 15.842 1.00 13.41 H new ATOM 2212 N ARG A 137 5.888 9.719 17.824 1.00 26.08 N ATOM 2213 CA ARG A 137 6.343 9.855 19.200 1.00 24.52 C ATOM 2214 C ARG A 137 5.381 10.606 20.098 1.00 23.38 C ATOM 2215 O ARG A 137 5.350 11.832 20.076 1.00 22.09 O ATOM 2216 CB ARG A 137 7.686 10.580 19.217 1.00 27.75 C ATOM 2217 CG ARG A 137 8.845 9.733 18.768 1.00 34.07 C ATOM 2218 CD ARG A 137 9.113 8.645 19.785 1.00 39.00 C ATOM 2219 NE ARG A 137 10.208 7.771 19.381 1.00 43.40 N ATOM 2220 CZ ARG A 137 10.624 6.729 20.092 1.00 43.54 C ATOM 2221 NH1 ARG A 137 10.032 6.440 21.244 1.00 44.77 N ATOM 2222 NH2 ARG A 137 11.623 5.976 19.648 1.00 43.42 N ATOM 2223 H ARG A 137 6.209 10.446 17.217 1.00 26.08 H new ATOM 2224 HA ARG A 137 6.422 8.833 19.598 1.00 24.52 H new ATOM 2225 1HB ARG A 137 7.620 11.466 18.569 1.00 27.75 H new ATOM 2226 2HB ARG A 137 7.883 10.941 20.237 1.00 27.75 H new ATOM 2227 1HG ARG A 137 8.625 9.285 17.788 1.00 34.07 H new ATOM 2228 2HG ARG A 137 9.741 10.359 18.642 1.00 34.07 H new ATOM 2229 1HD ARG A 137 9.351 9.104 20.756 1.00 39.00 H new ATOM 2230 2HD ARG A 137 8.201 8.046 19.927 1.00 39.00 H new ATOM 2231 HE ARG A 137 10.673 7.968 18.518 1.00 43.40 H + new ATOM 2232 1HH1 ARG A 137 9.276 7.006 21.573 1.00 44.77 H + new ATOM 2233 2HH1 ARG A 137 10.342 5.656 21.783 1.00 44.77 H + new ATOM 2234 1HH2 ARG A 137 12.064 6.193 18.777 1.00 43.42 H + new ATOM 2235 2HH2 ARG A 137 11.935 5.192 20.185 1.00 43.42 H + new ATOM 2236 N ILE A 138 4.605 9.872 20.888 1.00 22.58 N ATOM 2237 CA ILE A 138 3.672 10.484 21.828 1.00 27.61 C ATOM 2238 C ILE A 138 4.530 10.959 23.022 1.00 32.48 C ATOM 2239 O ILE A 138 4.956 10.152 23.853 1.00 33.78 O ATOM 2240 CB ILE A 138 2.629 9.463 22.340 1.00 27.52 C ATOM 2241 CG1 ILE A 138 1.920 8.774 21.164 1.00 29.08 C ATOM 2242 CG2 ILE A 138 1.646 10.156 23.274 1.00 26.69 C ATOM 2243 CD1 ILE A 138 1.179 9.699 20.215 1.00 29.77 C ATOM 2244 H ILE A 138 4.603 8.872 20.896 1.00 22.58 H new ATOM 2245 HA ILE A 138 3.121 11.302 21.341 1.00 27.61 H new ATOM 2246 HB ILE A 138 3.141 8.675 22.911 1.00 27.52 H new ATOM 2247 1HG1 ILE A 138 2.668 8.209 20.588 1.00 29.08 H new ATOM 2248 2HG1 ILE A 138 1.205 8.042 21.568 1.00 29.08 H new ATOM 2249 1HG2 ILE A 138 0.906 9.426 23.636 1.00 26.69 H new ATOM 2250 2HG2 ILE A 138 2.190 10.581 24.130 1.00 26.69 H new ATOM 2251 3HG2 ILE A 138 1.130 10.962 22.732 1.00 26.69 H new ATOM 2252 1HD1 ILE A 138 0.711 9.106 19.415 1.00 29.77 H new ATOM 2253 2HD1 ILE A 138 0.401 10.246 20.768 1.00 29.77 H new ATOM 2254 3HD1 ILE A 138 1.887 10.416 19.773 1.00 29.77 H new ATOM 2255 N MET A 139 4.779 12.264 23.102 1.00 34.21 N ATOM 2256 CA MET A 139 5.608 12.835 24.161 1.00 34.61 C ATOM 2257 C MET A 139 4.910 12.891 25.523 1.00 36.69 C ATOM 2258 O MET A 139 4.700 13.959 26.103 1.00 37.07 O ATOM 2259 CB MET A 139 6.085 14.221 23.717 1.00 33.88 C ATOM 2260 CG MET A 139 6.817 14.177 22.364 1.00 34.13 C ATOM 2261 SD MET A 139 7.367 15.774 21.717 1.00 36.22 S ATOM 2262 CE MET A 139 9.153 15.510 21.586 1.00 36.85 C ATOM 2263 H MET A 139 4.423 12.937 22.454 1.00 34.21 H new ATOM 2264 HA MET A 139 6.470 12.168 24.313 1.00 34.61 H new ATOM 2265 1HB MET A 139 5.221 14.898 23.643 1.00 33.88 H new ATOM 2266 2HB MET A 139 6.756 14.638 24.482 1.00 33.88 H new ATOM 2267 1HG MET A 139 7.694 13.521 22.464 1.00 34.13 H new ATOM 2268 2HG MET A 139 6.151 13.712 21.623 1.00 34.13 H new ATOM 2269 1HE MET A 139 9.510 15.891 20.618 1.00 36.85 H new ATOM 2270 2HE MET A 139 9.664 16.044 22.401 1.00 36.85 H new ATOM 2271 3HE MET A 139 9.372 14.434 21.660 1.00 36.85 H new ATOM 2272 N GLN A 140 4.564 11.715 26.032 1.00 37.53 N ATOM 2273 CA GLN A 140 3.891 11.597 27.311 1.00 39.37 C ATOM 2274 C GLN A 140 3.843 10.137 27.739 1.00 40.47 C ATOM 2275 O GLN A 140 3.726 9.244 26.900 1.00 40.04 O ATOM 2276 CB GLN A 140 2.473 12.167 27.203 1.00 41.39 C ATOM 2277 CG GLN A 140 1.471 11.556 28.170 1.00 46.08 C ATOM 2278 CD GLN A 140 0.657 12.592 28.911 1.00 48.71 C ATOM 2279 OE1 GLN A 140 0.120 13.527 28.313 1.00 49.98 O ATOM 2280 NE2 GLN A 140 0.555 12.425 30.225 1.00 49.98 N ATOM 2281 H GLN A 140 4.739 10.841 25.579 1.00 37.53 H new ATOM 2282 HA GLN A 140 4.447 12.168 28.069 1.00 39.37 H new ATOM 2283 1HB GLN A 140 2.514 13.253 27.375 1.00 41.39 H new ATOM 2284 2HB GLN A 140 2.109 12.018 26.176 1.00 41.39 H new ATOM 2285 1HG GLN A 140 0.792 10.893 27.615 1.00 46.08 H new ATOM 2286 2HG GLN A 140 2.008 10.930 28.898 1.00 46.08 H new ATOM 2287 1HE2 GLN A 140 0.025 13.073 30.772 1.00 49.98 H new ATOM 2288 2HE2 GLN A 140 1.008 11.651 30.667 1.00 49.98 H new ATOM 2289 N GLU A 141 3.938 9.898 29.045 1.00 41.95 N ATOM 2290 CA GLU A 141 3.896 8.539 29.572 1.00 43.82 C ATOM 2291 C GLU A 141 2.486 8.029 29.856 1.00 43.77 C ATOM 2292 O GLU A 141 1.672 8.716 30.476 1.00 44.00 O ATOM 2293 CB GLU A 141 4.726 8.428 30.849 1.00 47.41 C ATOM 2294 CG GLU A 141 6.210 8.218 30.611 1.00 50.26 C ATOM 2295 CD GLU A 141 6.867 7.452 31.747 1.00 53.07 C ATOM 2296 OE1 GLU A 141 8.050 7.076 31.588 1.00 53.59 O ATOM 2297 OE2 GLU A 141 6.201 7.226 32.789 1.00 52.55 O ATOM 2298 H GLU A 141 4.042 10.610 29.739 1.00 41.95 H new ATOM 2299 HA GLU A 141 4.319 7.907 28.777 1.00 43.82 H new ATOM 2300 1HB GLU A 141 4.588 9.343 31.443 1.00 47.41 H new ATOM 2301 2HB GLU A 141 4.341 7.592 31.451 1.00 47.41 H new ATOM 2302 1HG GLU A 141 6.355 7.670 29.668 1.00 50.26 H new ATOM 2303 2HG GLU A 141 6.703 9.194 30.495 1.00 50.26 H new ATOM 2304 N PHE A 142 2.213 6.816 29.390 1.00 43.45 N ATOM 2305 CA PHE A 142 0.920 6.169 29.579 1.00 43.68 C ATOM 2306 C PHE A 142 1.179 4.749 30.061 1.00 47.55 C ATOM 2307 O PHE A 142 2.282 4.223 29.898 1.00 48.86 O ATOM 2308 CB PHE A 142 0.156 6.107 28.255 1.00 40.28 C ATOM 2309 CG PHE A 142 -0.344 7.429 27.780 1.00 34.60 C ATOM 2310 CD1 PHE A 142 -1.491 7.982 28.321 1.00 34.92 C ATOM 2311 CD2 PHE A 142 0.345 8.133 26.807 1.00 33.90 C ATOM 2312 CE1 PHE A 142 -1.947 9.221 27.902 1.00 33.92 C ATOM 2313 CE2 PHE A 142 -0.102 9.377 26.379 1.00 33.58 C ATOM 2314 CZ PHE A 142 -1.250 9.922 26.929 1.00 33.45 C ATOM 2315 H PHE A 142 2.871 6.263 28.879 1.00 43.45 H new ATOM 2316 HA PHE A 142 0.322 6.737 30.307 1.00 43.68 H new ATOM 2317 1HB PHE A 142 0.813 5.677 27.485 1.00 40.28 H new ATOM 2318 2HB PHE A 142 -0.698 5.423 28.368 1.00 40.28 H new ATOM 2319 HD1 PHE A 142 -2.048 7.431 29.093 1.00 34.92 H new ATOM 2320 HD2 PHE A 142 1.257 7.702 26.368 1.00 33.90 H new ATOM 2321 HE1 PHE A 142 -2.861 9.649 28.340 1.00 33.92 H new ATOM 2322 HE2 PHE A 142 0.454 9.927 25.606 1.00 33.58 H new ATOM 2323 HZ PHE A 142 -1.608 10.907 26.596 1.00 33.45 H new ATOM 2324 N GLU A 143 0.171 4.124 30.654 1.00 50.96 N ATOM 2325 CA GLU A 143 0.333 2.754 31.110 1.00 54.79 C ATOM 2326 C GLU A 143 -0.085 1.824 29.973 1.00 55.29 C ATOM 2327 O GLU A 143 -1.201 1.924 29.458 1.00 54.74 O ATOM 2328 CB GLU A 143 -0.526 2.493 32.339 1.00 58.83 C ATOM 2329 CG GLU A 143 -0.277 1.127 32.933 1.00 64.18 C ATOM 2330 CD GLU A 143 -1.078 0.886 34.180 1.00 67.79 C ATOM 2331 OE1 GLU A 143 -0.960 -0.223 34.743 1.00 70.33 O ATOM 2332 OE2 GLU A 143 -1.822 1.802 34.594 1.00 70.74 O ATOM 2333 H GLU A 143 -0.729 4.526 30.824 1.00 50.96 H new ATOM 2334 HA GLU A 143 1.382 2.574 31.387 1.00 54.79 H new ATOM 2335 1HB GLU A 143 -0.321 3.263 33.097 1.00 58.83 H new ATOM 2336 2HB GLU A 143 -1.588 2.584 32.067 1.00 58.83 H new ATOM 2337 1HG GLU A 143 -0.524 0.356 32.188 1.00 64.18 H new ATOM 2338 2HG GLU A 143 0.793 1.021 33.163 1.00 64.18 H new ATOM 2339 N SER A 144 0.799 0.908 29.595 1.00 55.43 N ATOM 2340 CA SER A 144 0.500 0.010 28.487 1.00 56.10 C ATOM 2341 C SER A 144 0.596 -1.488 28.794 1.00 56.34 C ATOM 2342 O SER A 144 1.400 -1.912 29.629 1.00 54.75 O ATOM 2343 CB SER A 144 1.433 0.344 27.317 1.00 54.94 C ATOM 2344 OG SER A 144 1.565 1.748 27.159 1.00 51.48 O ATOM 2345 H SER A 144 1.693 0.771 30.021 1.00 55.43 H new ATOM 2346 HA SER A 144 -0.560 0.184 28.248 1.00 56.10 H new ATOM 2347 1HB SER A 144 1.039 -0.098 26.390 1.00 54.94 H new ATOM 2348 2HB SER A 144 2.422 -0.104 27.492 1.00 54.94 H new ATOM 2349 HG SER A 144 2.220 2.099 27.828 1.00 51.48 H new ATOM 2350 N ASP A 145 -0.246 -2.273 28.116 1.00 56.71 N ATOM 2351 CA ASP A 145 -0.252 -3.733 28.244 1.00 56.04 C ATOM 2352 C ASP A 145 0.919 -4.187 27.385 1.00 56.17 C ATOM 2353 O ASP A 145 1.974 -4.596 27.878 1.00 56.29 O ATOM 2354 CB ASP A 145 -1.520 -4.343 27.635 1.00 57.19 C ATOM 2355 CG ASP A 145 -2.706 -4.305 28.563 1.00 60.10 C ATOM 2356 OD1 ASP A 145 -2.751 -5.105 29.521 1.00 64.15 O ATOM 2357 OD2 ASP A 145 -3.604 -3.477 28.332 1.00 61.76 O ATOM 2358 H ASP A 145 -0.929 -1.921 27.476 1.00 56.71 H new ATOM 2359 HA ASP A 145 -0.198 -4.035 29.300 1.00 56.04 H new ATOM 2360 1HB ASP A 145 -1.770 -3.803 26.710 1.00 57.19 H new ATOM 2361 2HB ASP A 145 -1.317 -5.387 27.353 1.00 57.19 H new ATOM 2362 N THR A 146 0.702 -4.090 26.078 1.00 53.62 N ATOM 2363 CA THR A 146 1.681 -4.469 25.080 1.00 51.16 C ATOM 2364 C THR A 146 2.652 -3.316 24.807 1.00 48.62 C ATOM 2365 O THR A 146 2.367 -2.165 25.138 1.00 46.53 O ATOM 2366 CB THR A 146 0.959 -4.914 23.777 1.00 52.08 C ATOM 2367 OG1 THR A 146 1.881 -4.911 22.683 1.00 54.90 O ATOM 2368 CG2 THR A 146 -0.216 -4.000 23.467 1.00 50.20 C ATOM 2369 H THR A 146 -0.154 -3.748 25.690 1.00 53.62 H new ATOM 2370 HA THR A 146 2.270 -5.316 25.461 1.00 51.16 H new ATOM 2371 HB THR A 146 0.574 -5.933 23.926 1.00 52.08 H new ATOM 2372 HG1 THR A 146 1.893 -5.814 22.254 1.00 54.90 H new ATOM 2373 1HG2 THR A 146 -0.708 -4.336 22.543 1.00 50.20 H new ATOM 2374 2HG2 THR A 146 -0.936 -4.033 24.298 1.00 50.20 H new ATOM 2375 3HG2 THR A 146 0.145 -2.969 23.336 1.00 50.20 H new ATOM 2376 N PHE A 147 3.808 -3.637 24.228 1.00 46.94 N ATOM 2377 CA PHE A 147 4.824 -2.633 23.932 1.00 46.88 C ATOM 2378 C PHE A 147 5.477 -2.751 22.550 1.00 45.91 C ATOM 2379 O PHE A 147 5.052 -3.539 21.697 1.00 45.88 O ATOM 2380 CB PHE A 147 5.908 -2.654 25.009 1.00 48.84 C ATOM 2381 CG PHE A 147 5.407 -2.289 26.377 1.00 52.08 C ATOM 2382 CD1 PHE A 147 4.592 -3.163 27.099 1.00 52.77 C ATOM 2383 CD2 PHE A 147 5.728 -1.059 26.937 1.00 53.66 C ATOM 2384 CE1 PHE A 147 4.101 -2.813 28.356 1.00 54.48 C ATOM 2385 CE2 PHE A 147 5.244 -0.697 28.195 1.00 56.23 C ATOM 2386 CZ PHE A 147 4.428 -1.577 28.906 1.00 55.63 C ATOM 2387 H PHE A 147 4.058 -4.568 23.960 1.00 46.94 H new ATOM 2388 HA PHE A 147 4.284 -1.675 23.924 1.00 46.88 H new ATOM 2389 1HB PHE A 147 6.354 -3.659 25.048 1.00 48.84 H new ATOM 2390 2HB PHE A 147 6.709 -1.957 24.724 1.00 48.84 H new ATOM 2391 HD1 PHE A 147 4.333 -4.142 26.670 1.00 52.77 H new ATOM 2392 HD2 PHE A 147 6.372 -0.361 26.382 1.00 53.66 H new ATOM 2393 HE1 PHE A 147 3.457 -3.511 28.911 1.00 54.48 H new ATOM 2394 HE2 PHE A 147 5.506 0.281 28.625 1.00 56.23 H new ATOM 2395 HZ PHE A 147 4.044 -1.295 29.898 1.00 55.63 H new ATOM 2396 N PHE A 148 6.512 -1.950 22.331 1.00 43.54 N ATOM 2397 CA PHE A 148 7.199 -1.954 21.052 1.00 42.58 C ATOM 2398 C PHE A 148 8.701 -2.172 21.205 1.00 43.46 C ATOM 2399 O PHE A 148 9.348 -1.544 22.044 1.00 41.78 O ATOM 2400 CB PHE A 148 6.946 -0.635 20.318 1.00 38.24 C ATOM 2401 CG PHE A 148 7.458 -0.625 18.906 1.00 32.76 C ATOM 2402 CD1 PHE A 148 6.836 -1.389 17.925 1.00 29.75 C ATOM 2403 CD2 PHE A 148 8.574 0.133 18.560 1.00 29.93 C ATOM 2404 CE1 PHE A 148 7.319 -1.400 16.624 1.00 27.84 C ATOM 2405 CE2 PHE A 148 9.063 0.129 17.260 1.00 28.56 C ATOM 2406 CZ PHE A 148 8.434 -0.640 16.289 1.00 27.24 C ATOM 2407 H PHE A 148 6.882 -1.309 23.004 1.00 43.54 H new ATOM 2408 HA PHE A 148 6.796 -2.794 20.468 1.00 42.58 H new ATOM 2409 1HB PHE A 148 5.865 -0.432 20.309 1.00 38.24 H new ATOM 2410 2HB PHE A 148 7.422 0.184 20.878 1.00 38.24 H new ATOM 2411 HD1 PHE A 148 5.952 -1.991 18.183 1.00 29.75 H new ATOM 2412 HD2 PHE A 148 9.075 0.743 19.326 1.00 29.93 H new ATOM 2413 HE1 PHE A 148 6.819 -2.010 15.857 1.00 27.84 H new ATOM 2414 HE2 PHE A 148 9.945 0.733 17.000 1.00 28.56 H new ATOM 2415 HZ PHE A 148 8.817 -0.648 15.258 1.00 27.24 H new ATOM 2416 N PRO A 149 9.274 -3.070 20.382 1.00 45.04 N ATOM 2417 CA PRO A 149 10.708 -3.364 20.435 1.00 45.63 C ATOM 2418 C PRO A 149 11.557 -2.099 20.494 1.00 46.49 C ATOM 2419 O PRO A 149 11.192 -1.064 19.938 1.00 47.33 O ATOM 2420 CB PRO A 149 10.939 -4.156 19.155 1.00 45.62 C ATOM 2421 CG PRO A 149 9.644 -4.909 18.999 1.00 46.24 C ATOM 2422 CD PRO A 149 8.610 -3.859 19.324 1.00 45.20 C ATOM 2423 HA PRO A 149 11.000 -3.916 21.341 1.00 45.63 H new ATOM 2424 1HB PRO A 149 11.136 -3.498 18.296 1.00 45.62 H new ATOM 2425 2HB PRO A 149 11.800 -4.835 19.243 1.00 45.62 H new ATOM 2426 1HG PRO A 149 9.520 -5.303 17.979 1.00 46.24 H new ATOM 2427 2HG PRO A 149 9.585 -5.767 19.685 1.00 46.24 H new ATOM 2428 1HD PRO A 149 8.364 -3.242 18.447 1.00 45.20 H new ATOM 2429 2HD PRO A 149 7.669 -4.307 19.677 1.00 45.20 H new ATOM 2430 N GLU A 150 12.686 -2.189 21.183 1.00 47.61 N ATOM 2431 CA GLU A 150 13.588 -1.058 21.303 1.00 49.82 C ATOM 2432 C GLU A 150 14.291 -0.897 19.966 1.00 48.86 C ATOM 2433 O GLU A 150 14.516 -1.881 19.258 1.00 49.21 O ATOM 2434 CB GLU A 150 14.593 -1.310 22.432 1.00 54.70 C ATOM 2435 CG GLU A 150 15.303 -2.658 22.360 1.00 60.91 C ATOM 2436 CD GLU A 150 16.494 -2.648 21.417 1.00 65.55 C ATOM 2437 OE1 GLU A 150 17.077 -3.732 21.173 1.00 66.47 O ATOM 2438 OE2 GLU A 150 16.851 -1.552 20.926 1.00 68.07 O ATOM 2439 H GLU A 150 12.990 -3.016 21.656 1.00 47.61 H new ATOM 2440 HA GLU A 150 13.041 -0.137 21.552 1.00 49.82 H new ATOM 2441 1HB GLU A 150 15.349 -0.511 22.417 1.00 54.70 H new ATOM 2442 2HB GLU A 150 14.068 -1.238 23.396 1.00 54.70 H new ATOM 2443 1HG GLU A 150 15.641 -2.943 23.367 1.00 60.91 H new ATOM 2444 2HG GLU A 150 14.588 -3.427 22.031 1.00 60.91 H new ATOM 2445 N ILE A 151 14.632 0.339 19.614 1.00 46.88 N ATOM 2446 CA ILE A 151 15.286 0.598 18.338 1.00 44.85 C ATOM 2447 C ILE A 151 16.797 0.760 18.448 1.00 43.76 C ATOM 2448 O ILE A 151 17.307 1.765 18.952 1.00 43.77 O ATOM 2449 CB ILE A 151 14.678 1.842 17.649 1.00 44.36 C ATOM 2450 CG1 ILE A 151 13.181 1.609 17.414 1.00 44.98 C ATOM 2451 CG2 ILE A 151 15.384 2.111 16.323 1.00 43.59 C ATOM 2452 CD1 ILE A 151 12.471 2.758 16.721 1.00 46.17 C ATOM 2453 H ILE A 151 14.472 1.151 20.176 1.00 46.88 H new ATOM 2454 HA ILE A 151 15.103 -0.297 17.725 1.00 44.85 H new ATOM 2455 HB ILE A 151 14.814 2.720 18.298 1.00 44.36 H new ATOM 2456 1HG1 ILE A 151 13.054 0.698 16.811 1.00 44.98 H new ATOM 2457 2HG1 ILE A 151 12.694 1.424 18.383 1.00 44.98 H new ATOM 2458 1HG2 ILE A 151 14.942 2.997 15.845 1.00 43.59 H new ATOM 2459 2HG2 ILE A 151 16.454 2.289 16.506 1.00 43.59 H new ATOM 2460 3HG2 ILE A 151 15.266 1.241 15.661 1.00 43.59 H new ATOM 2461 1HD1 ILE A 151 11.407 2.509 16.593 1.00 46.17 H new ATOM 2462 2HD1 ILE A 151 12.563 3.668 17.332 1.00 46.17 H new ATOM 2463 3HD1 ILE A 151 12.928 2.931 15.735 1.00 46.17 H new ATOM 2464 N ASP A 152 17.505 -0.254 17.965 1.00 42.04 N ATOM 2465 CA ASP A 152 18.956 -0.261 17.991 1.00 40.44 C ATOM 2466 C ASP A 152 19.439 0.793 17.014 1.00 39.05 C ATOM 2467 O ASP A 152 19.370 0.606 15.804 1.00 39.65 O ATOM 2468 CB ASP A 152 19.471 -1.642 17.575 1.00 42.12 C ATOM 2469 CG ASP A 152 20.956 -1.820 17.845 1.00 46.15 C ATOM 2470 OD1 ASP A 152 21.509 -2.863 17.438 1.00 49.75 O ATOM 2471 OD2 ASP A 152 21.575 -0.931 18.465 1.00 48.70 O ATOM 2472 H ASP A 152 17.098 -1.071 17.556 1.00 42.04 H new ATOM 2473 HA ASP A 152 19.330 -0.043 19.002 1.00 40.44 H new ATOM 2474 1HB ASP A 152 18.909 -2.417 18.117 1.00 42.12 H new ATOM 2475 2HB ASP A 152 19.277 -1.794 16.503 1.00 42.12 H new ATOM 2476 N LEU A 153 19.924 1.909 17.534 1.00 38.01 N ATOM 2477 CA LEU A 153 20.397 2.978 16.668 1.00 36.86 C ATOM 2478 C LEU A 153 21.740 2.632 16.020 1.00 35.37 C ATOM 2479 O LEU A 153 22.388 3.474 15.387 1.00 32.64 O ATOM 2480 CB LEU A 153 20.476 4.291 17.458 1.00 38.25 C ATOM 2481 CG LEU A 153 19.206 4.635 18.257 1.00 38.12 C ATOM 2482 CD1 LEU A 153 19.232 6.109 18.627 1.00 36.41 C ATOM 2483 CD2 LEU A 153 17.958 4.327 17.445 1.00 36.68 C ATOM 2484 H LEU A 153 19.999 2.094 18.514 1.00 38.01 H new ATOM 2485 HA LEU A 153 19.676 3.104 15.847 1.00 36.86 H new ATOM 2486 1HB LEU A 153 21.327 4.235 18.153 1.00 38.25 H new ATOM 2487 2HB LEU A 153 20.687 5.113 16.758 1.00 38.25 H new ATOM 2488 HG LEU A 153 19.182 4.022 19.170 1.00 38.12 H new ATOM 2489 1HD1 LEU A 153 18.326 6.360 19.198 1.00 36.41 H new ATOM 2490 2HD1 LEU A 153 20.121 6.318 19.240 1.00 36.41 H new ATOM 2491 3HD1 LEU A 153 19.267 6.717 17.711 1.00 36.41 H new ATOM 2492 1HD2 LEU A 153 17.065 4.580 18.035 1.00 36.68 H new ATOM 2493 2HD2 LEU A 153 17.966 4.921 16.519 1.00 36.68 H new ATOM 2494 3HD2 LEU A 153 17.939 3.256 17.193 1.00 36.68 H new ATOM 2495 N GLY A 154 22.146 1.377 16.179 1.00 34.56 N ATOM 2496 CA GLY A 154 23.380 0.919 15.571 1.00 34.21 C ATOM 2497 C GLY A 154 22.989 0.158 14.319 1.00 34.13 C ATOM 2498 O GLY A 154 23.797 -0.051 13.408 1.00 35.48 O ATOM 2499 H GLY A 154 21.653 0.685 16.706 1.00 34.56 H new ATOM 2500 1HA GLY A 154 24.033 1.769 15.324 1.00 34.21 H new ATOM 2501 2HA GLY A 154 23.940 0.273 16.263 1.00 34.21 H new ATOM 2502 N LYS A 155 21.720 -0.237 14.281 1.00 32.70 N ATOM 2503 CA LYS A 155 21.165 -0.985 13.169 1.00 33.53 C ATOM 2504 C LYS A 155 20.308 -0.095 12.263 1.00 33.92 C ATOM 2505 O LYS A 155 20.273 -0.309 11.053 1.00 36.41 O ATOM 2506 CB LYS A 155 20.341 -2.160 13.703 1.00 33.00 C ATOM 2507 CG LYS A 155 20.102 -3.255 12.687 1.00 36.03 C ATOM 2508 CD LYS A 155 19.345 -4.433 13.279 1.00 36.40 C ATOM 2509 CE LYS A 155 19.088 -5.499 12.214 1.00 38.24 C ATOM 2510 NZ LYS A 155 18.375 -6.687 12.772 1.00 38.21 N ATOM 2511 H LYS A 155 21.063 -0.048 15.011 1.00 32.70 H new ATOM 2512 HA LYS A 155 21.997 -1.368 12.559 1.00 33.53 H new ATOM 2513 1HB LYS A 155 20.856 -2.589 14.575 1.00 33.00 H new ATOM 2514 2HB LYS A 155 19.370 -1.783 14.056 1.00 33.00 H new ATOM 2515 1HG LYS A 155 19.535 -2.847 11.837 1.00 36.03 H new ATOM 2516 2HG LYS A 155 21.068 -3.603 12.292 1.00 36.03 H new ATOM 2517 1HD LYS A 155 19.922 -4.867 14.109 1.00 36.40 H new ATOM 2518 2HD LYS A 155 18.389 -4.088 13.699 1.00 36.40 H new ATOM 2519 1HE LYS A 155 18.492 -5.065 11.398 1.00 38.24 H new ATOM 2520 2HE LYS A 155 20.046 -5.819 11.778 1.00 38.24 H new ATOM 2521 1HZ LYS A 155 18.227 -7.359 12.046 1.00 38.21 H + new ATOM 2522 2HZ LYS A 155 18.927 -7.098 13.497 1.00 38.21 H + new ATOM 2523 3HZ LYS A 155 17.493 -6.401 13.147 1.00 38.21 H + new ATOM 2524 N TYR A 156 19.625 0.895 12.848 1.00 33.83 N ATOM 2525 CA TYR A 156 18.779 1.839 12.099 1.00 33.72 C ATOM 2526 C TYR A 156 19.314 3.261 12.176 1.00 34.69 C ATOM 2527 O TYR A 156 19.953 3.632 13.155 1.00 36.71 O ATOM 2528 CB TYR A 156 17.360 1.900 12.657 1.00 31.73 C ATOM 2529 CG TYR A 156 16.565 0.638 12.553 1.00 33.59 C ATOM 2530 CD1 TYR A 156 16.697 -0.368 13.507 1.00 36.39 C ATOM 2531 CD2 TYR A 156 15.655 0.453 11.514 1.00 32.01 C ATOM 2532 CE1 TYR A 156 15.940 -1.531 13.432 1.00 36.41 C ATOM 2533 CE2 TYR A 156 14.894 -0.706 11.428 1.00 34.24 C ATOM 2534 CZ TYR A 156 15.042 -1.694 12.391 1.00 34.85 C ATOM 2535 OH TYR A 156 14.306 -2.851 12.308 1.00 34.32 O ATOM 2536 H TYR A 156 19.641 1.063 13.834 1.00 33.83 H new ATOM 2537 HA TYR A 156 18.783 1.466 11.064 1.00 33.72 H new ATOM 2538 1HB TYR A 156 17.415 2.190 13.717 1.00 31.73 H new ATOM 2539 2HB TYR A 156 16.814 2.699 12.133 1.00 31.73 H new ATOM 2540 HD1 TYR A 156 17.412 -0.240 14.333 1.00 36.39 H new ATOM 2541 HD2 TYR A 156 15.538 1.236 10.751 1.00 32.01 H new ATOM 2542 HE1 TYR A 156 16.053 -2.316 14.194 1.00 36.41 H new ATOM 2543 HE2 TYR A 156 14.179 -0.840 10.603 1.00 34.24 H new ATOM 2544 HH TYR A 156 14.150 -3.214 13.227 1.00 34.32 H new ATOM 2545 N LYS A 157 19.032 4.065 11.156 1.00 35.60 N ATOM 2546 CA LYS A 157 19.466 5.456 11.165 1.00 37.89 C ATOM 2547 C LYS A 157 18.250 6.358 11.078 1.00 38.31 C ATOM 2548 O LYS A 157 17.294 6.081 10.356 1.00 38.68 O ATOM 2549 CB LYS A 157 20.422 5.767 10.004 1.00 39.31 C ATOM 2550 CG LYS A 157 19.795 5.702 8.633 1.00 44.01 C ATOM 2551 CD LYS A 157 20.845 5.839 7.545 1.00 46.90 C ATOM 2552 CE LYS A 157 20.261 5.500 6.178 1.00 50.34 C ATOM 2553 NZ LYS A 157 21.281 5.555 5.080 1.00 54.98 N ATOM 2554 H LYS A 157 18.523 3.788 10.341 1.00 35.60 H new ATOM 2555 HA LYS A 157 20.012 5.636 12.103 1.00 37.89 H new ATOM 2556 1HB LYS A 157 20.841 6.773 10.152 1.00 39.31 H new ATOM 2557 2HB LYS A 157 21.263 5.059 10.041 1.00 39.31 H new ATOM 2558 1HG LYS A 157 19.262 4.747 8.515 1.00 44.01 H new ATOM 2559 2HG LYS A 157 19.048 6.503 8.529 1.00 44.01 H new ATOM 2560 1HD LYS A 157 21.238 6.866 7.536 1.00 46.90 H new ATOM 2561 2HD LYS A 157 21.693 5.172 7.762 1.00 46.90 H new ATOM 2562 1HE LYS A 157 19.820 4.493 6.212 1.00 50.34 H new ATOM 2563 2HE LYS A 157 19.445 6.201 5.949 1.00 50.34 H new ATOM 2564 1HZ LYS A 157 20.847 5.325 4.209 1.00 54.98 H + new ATOM 2565 2HZ LYS A 157 21.665 6.477 5.027 1.00 54.98 H + new ATOM 2566 3HZ LYS A 157 22.012 4.900 5.270 1.00 54.98 H + new ATOM 2567 N LEU A 158 18.295 7.434 11.847 1.00 37.67 N ATOM 2568 CA LEU A 158 17.223 8.410 11.886 1.00 38.66 C ATOM 2569 C LEU A 158 17.345 9.294 10.654 1.00 38.31 C ATOM 2570 O LEU A 158 18.395 9.887 10.408 1.00 40.91 O ATOM 2571 CB LEU A 158 17.351 9.244 13.170 1.00 40.39 C ATOM 2572 CG LEU A 158 16.416 10.415 13.489 1.00 40.59 C ATOM 2573 CD1 LEU A 158 16.779 11.618 12.622 1.00 42.41 C ATOM 2574 CD2 LEU A 158 14.968 9.989 13.290 1.00 38.73 C ATOM 2575 H LEU A 158 19.063 7.649 12.450 1.00 37.67 H new ATOM 2576 HA LEU A 158 16.239 7.918 11.887 1.00 38.66 H new ATOM 2577 1HB LEU A 158 17.272 8.540 14.011 1.00 40.39 H new ATOM 2578 2HB LEU A 158 18.375 9.646 13.183 1.00 40.39 H new ATOM 2579 HG LEU A 158 16.536 10.712 14.541 1.00 40.59 H new ATOM 2580 1HD1 LEU A 158 16.105 12.455 12.855 1.00 42.41 H new ATOM 2581 2HD1 LEU A 158 17.818 11.917 12.825 1.00 42.41 H new ATOM 2582 3HD1 LEU A 158 16.676 11.350 11.560 1.00 42.41 H new ATOM 2583 1HD2 LEU A 158 14.302 10.833 13.520 1.00 38.73 H new ATOM 2584 2HD2 LEU A 158 14.817 9.678 12.246 1.00 38.73 H new ATOM 2585 3HD2 LEU A 158 14.737 9.147 13.960 1.00 38.73 H new ATOM 2586 N LEU A 159 16.284 9.365 9.861 1.00 37.31 N ATOM 2587 CA LEU A 159 16.316 10.203 8.670 1.00 36.97 C ATOM 2588 C LEU A 159 16.067 11.644 9.104 1.00 38.47 C ATOM 2589 O LEU A 159 15.020 11.952 9.663 1.00 39.34 O ATOM 2590 CB LEU A 159 15.249 9.749 7.668 1.00 33.05 C ATOM 2591 CG LEU A 159 15.455 8.328 7.138 1.00 31.95 C ATOM 2592 CD1 LEU A 159 14.320 7.949 6.202 1.00 33.36 C ATOM 2593 CD2 LEU A 159 16.792 8.235 6.431 1.00 28.26 C ATOM 2594 H LEU A 159 15.426 8.874 10.012 1.00 37.31 H new ATOM 2595 HA LEU A 159 17.294 10.122 8.173 1.00 36.97 H new ATOM 2596 1HB LEU A 159 14.261 9.810 8.148 1.00 33.05 H new ATOM 2597 2HB LEU A 159 15.238 10.448 6.819 1.00 33.05 H new ATOM 2598 HG LEU A 159 15.454 7.621 7.981 1.00 31.95 H new ATOM 2599 1HD1 LEU A 159 14.479 6.927 5.828 1.00 33.36 H new ATOM 2600 2HD1 LEU A 159 13.365 7.996 6.745 1.00 33.36 H new ATOM 2601 3HD1 LEU A 159 14.294 8.649 5.354 1.00 33.36 H new ATOM 2602 1HD2 LEU A 159 16.936 7.213 6.052 1.00 28.26 H new ATOM 2603 2HD2 LEU A 159 16.813 8.944 5.590 1.00 28.26 H new ATOM 2604 3HD2 LEU A 159 17.599 8.481 7.137 1.00 28.26 H new ATOM 2605 N PRO A 160 17.038 12.546 8.865 1.00 41.24 N ATOM 2606 CA PRO A 160 16.856 13.951 9.264 1.00 42.01 C ATOM 2607 C PRO A 160 15.567 14.515 8.691 1.00 41.72 C ATOM 2608 O PRO A 160 14.860 15.276 9.346 1.00 41.86 O ATOM 2609 CB PRO A 160 18.096 14.641 8.693 1.00 41.95 C ATOM 2610 CG PRO A 160 18.418 13.802 7.479 1.00 41.75 C ATOM 2611 CD PRO A 160 18.234 12.395 8.016 1.00 41.24 C ATOM 2612 HA PRO A 160 16.765 14.092 10.351 1.00 42.01 H new ATOM 2613 1HB PRO A 160 17.893 15.688 8.423 1.00 41.95 H new ATOM 2614 2HB PRO A 160 18.926 14.650 9.414 1.00 41.95 H new ATOM 2615 1HG PRO A 160 17.741 14.015 6.639 1.00 41.75 H new ATOM 2616 2HG PRO A 160 19.443 13.975 7.118 1.00 41.75 H new ATOM 2617 1HD PRO A 160 18.077 11.664 7.210 1.00 41.24 H new ATOM 2618 2HD PRO A 160 19.108 12.056 8.592 1.00 41.24 H new ATOM 2619 N GLU A 161 15.276 14.121 7.455 1.00 41.47 N ATOM 2620 CA GLU A 161 14.079 14.557 6.761 1.00 41.35 C ATOM 2621 C GLU A 161 13.641 13.466 5.801 1.00 38.02 C ATOM 2622 O GLU A 161 14.455 12.696 5.290 1.00 37.25 O ATOM 2623 CB GLU A 161 14.353 15.845 5.991 1.00 46.40 C ATOM 2624 CG GLU A 161 15.425 15.705 4.930 1.00 53.94 C ATOM 2625 CD GLU A 161 15.795 17.036 4.316 1.00 58.22 C ATOM 2626 OE1 GLU A 161 16.289 17.910 5.065 1.00 59.80 O ATOM 2627 OE2 GLU A 161 15.587 17.209 3.091 1.00 61.27 O ATOM 2628 H GLU A 161 15.854 13.504 6.921 1.00 41.47 H new ATOM 2629 HA GLU A 161 13.282 14.752 7.494 1.00 41.35 H new ATOM 2630 1HB GLU A 161 13.420 16.182 5.515 1.00 46.40 H new ATOM 2631 2HB GLU A 161 14.653 16.629 6.701 1.00 46.40 H new ATOM 2632 1HG GLU A 161 16.321 15.246 5.374 1.00 53.94 H new ATOM 2633 2HG GLU A 161 15.072 15.024 4.141 1.00 53.94 H new ATOM 2634 N TYR A 162 12.343 13.407 5.565 1.00 33.94 N ATOM 2635 CA TYR A 162 11.788 12.415 4.676 1.00 32.23 C ATOM 2636 C TYR A 162 10.652 13.098 3.947 1.00 31.44 C ATOM 2637 O TYR A 162 9.880 13.844 4.550 1.00 32.48 O ATOM 2638 CB TYR A 162 11.254 11.236 5.485 1.00 31.25 C ATOM 2639 CG TYR A 162 10.734 10.077 4.665 1.00 28.18 C ATOM 2640 CD1 TYR A 162 11.605 9.121 4.133 1.00 29.72 C ATOM 2641 CD2 TYR A 162 9.369 9.916 4.452 1.00 27.12 C ATOM 2642 CE1 TYR A 162 11.124 8.028 3.411 1.00 30.27 C ATOM 2643 CE2 TYR A 162 8.875 8.836 3.732 1.00 29.30 C ATOM 2644 CZ TYR A 162 9.756 7.892 3.216 1.00 32.12 C ATOM 2645 OH TYR A 162 9.253 6.815 2.515 1.00 35.03 O ATOM 2646 H TYR A 162 11.670 14.025 5.971 1.00 33.94 H new ATOM 2647 HA TYR A 162 12.543 12.029 3.976 1.00 32.23 H new ATOM 2648 1HB TYR A 162 12.057 10.869 6.142 1.00 31.25 H new ATOM 2649 2HB TYR A 162 10.444 11.596 6.137 1.00 31.25 H new ATOM 2650 HD1 TYR A 162 12.689 9.233 4.286 1.00 29.72 H new ATOM 2651 HD2 TYR A 162 8.668 10.658 4.861 1.00 27.12 H new ATOM 2652 HE1 TYR A 162 11.821 7.282 3.001 1.00 30.27 H new ATOM 2653 HE2 TYR A 162 7.792 8.728 3.571 1.00 29.30 H new ATOM 2654 HH TYR A 162 8.256 6.879 2.474 1.00 35.03 H new ATOM 2655 N PRO A 163 10.537 12.858 2.636 1.00 30.75 N ATOM 2656 CA PRO A 163 9.474 13.468 1.833 1.00 29.91 C ATOM 2657 C PRO A 163 8.058 13.134 2.303 1.00 29.28 C ATOM 2658 O PRO A 163 7.779 12.013 2.722 1.00 30.90 O ATOM 2659 CB PRO A 163 9.770 12.953 0.422 1.00 29.29 C ATOM 2660 CG PRO A 163 10.496 11.656 0.665 1.00 29.50 C ATOM 2661 CD PRO A 163 11.396 11.987 1.811 1.00 29.71 C ATOM 2662 HA PRO A 163 9.482 14.565 1.908 1.00 29.91 H new ATOM 2663 1HB PRO A 163 8.846 12.798 -0.154 1.00 29.29 H new ATOM 2664 2HB PRO A 163 10.389 13.663 -0.147 1.00 29.29 H new ATOM 2665 1HG PRO A 163 9.801 10.840 0.915 1.00 29.50 H new ATOM 2666 2HG PRO A 163 11.064 11.335 -0.220 1.00 29.50 H new ATOM 2667 1HD PRO A 163 11.715 11.087 2.357 1.00 29.71 H new ATOM 2668 2HD PRO A 163 12.309 12.503 1.481 1.00 29.71 H new ATOM 2669 N GLY A 164 7.171 14.122 2.250 1.00 28.43 N ATOM 2670 CA GLY A 164 5.795 13.902 2.652 1.00 28.96 C ATOM 2671 C GLY A 164 5.519 13.882 4.145 1.00 29.85 C ATOM 2672 O GLY A 164 4.359 13.818 4.568 1.00 29.52 O ATOM 2673 H GLY A 164 7.376 15.051 1.942 1.00 28.43 H new ATOM 2674 1HA GLY A 164 5.174 14.688 2.198 1.00 28.96 H new ATOM 2675 2HA GLY A 164 5.462 12.943 2.228 1.00 28.96 H new ATOM 2676 N VAL A 165 6.576 13.946 4.947 1.00 30.94 N ATOM 2677 CA VAL A 165 6.441 13.920 6.397 1.00 31.29 C ATOM 2678 C VAL A 165 6.922 15.242 7.001 1.00 32.59 C ATOM 2679 O VAL A 165 7.947 15.774 6.574 1.00 33.54 O ATOM 2680 CB VAL A 165 7.276 12.751 6.990 1.00 30.40 C ATOM 2681 CG1 VAL A 165 7.351 12.859 8.494 1.00 32.45 C ATOM 2682 CG2 VAL A 165 6.663 11.430 6.604 1.00 28.45 C ATOM 2683 H VAL A 165 7.519 14.015 4.622 1.00 30.94 H new ATOM 2684 HA VAL A 165 5.379 13.775 6.644 1.00 31.29 H new ATOM 2685 HB VAL A 165 8.296 12.812 6.581 1.00 30.40 H new ATOM 2686 1HG1 VAL A 165 7.945 12.024 8.893 1.00 32.45 H new ATOM 2687 2HG1 VAL A 165 7.827 13.812 8.770 1.00 32.45 H new ATOM 2688 3HG1 VAL A 165 6.336 12.821 8.916 1.00 32.45 H new ATOM 2689 1HG2 VAL A 165 7.261 10.610 7.028 1.00 28.45 H new ATOM 2690 2HG2 VAL A 165 5.636 11.374 6.994 1.00 28.45 H new ATOM 2691 3HG2 VAL A 165 6.644 11.340 5.508 1.00 28.45 H new ATOM 2692 N LEU A 166 6.177 15.779 7.968 1.00 33.35 N ATOM 2693 CA LEU A 166 6.579 17.020 8.641 1.00 33.73 C ATOM 2694 C LEU A 166 7.223 16.685 9.987 1.00 34.64 C ATOM 2695 O LEU A 166 6.775 15.780 10.694 1.00 34.36 O ATOM 2696 CB LEU A 166 5.388 17.958 8.840 1.00 31.98 C ATOM 2697 CG LEU A 166 5.076 18.759 7.577 1.00 29.72 C ATOM 2698 CD1 LEU A 166 4.250 17.920 6.636 1.00 30.73 C ATOM 2699 CD2 LEU A 166 4.320 20.008 7.946 1.00 32.37 C ATOM 2700 H LEU A 166 5.317 15.388 8.296 1.00 33.35 H new ATOM 2701 HA LEU A 166 7.309 17.541 8.004 1.00 33.73 H new ATOM 2702 1HB LEU A 166 4.504 17.371 9.129 1.00 31.98 H new ATOM 2703 2HB LEU A 166 5.601 18.649 9.669 1.00 31.98 H new ATOM 2704 HG LEU A 166 6.016 19.039 7.080 1.00 29.72 H new ATOM 2705 1HD1 LEU A 166 4.027 18.499 5.728 1.00 30.73 H new ATOM 2706 2HD1 LEU A 166 4.811 17.014 6.364 1.00 30.73 H new ATOM 2707 3HD1 LEU A 166 3.309 17.634 7.129 1.00 30.73 H new ATOM 2708 1HD2 LEU A 166 4.096 20.584 7.036 1.00 32.37 H new ATOM 2709 2HD2 LEU A 166 3.380 19.734 8.447 1.00 32.37 H new ATOM 2710 3HD2 LEU A 166 4.931 20.620 8.625 1.00 32.37 H new ATOM 2711 N SER A 167 8.268 17.427 10.339 1.00 35.60 N ATOM 2712 CA SER A 167 9.023 17.166 11.562 1.00 38.25 C ATOM 2713 C SER A 167 8.831 18.086 12.767 1.00 39.40 C ATOM 2714 O SER A 167 9.557 17.956 13.759 1.00 39.24 O ATOM 2715 CB SER A 167 10.506 17.121 11.210 1.00 39.49 C ATOM 2716 OG SER A 167 10.853 18.247 10.418 1.00 42.65 O ATOM 2717 H SER A 167 8.606 18.201 9.804 1.00 35.60 H new ATOM 2718 HA SER A 167 8.604 16.213 11.917 1.00 38.25 H new ATOM 2719 1HB SER A 167 10.734 16.194 10.664 1.00 39.49 H new ATOM 2720 2HB SER A 167 11.109 17.109 12.130 1.00 39.49 H new ATOM 2721 HG SER A 167 11.827 18.210 10.194 1.00 42.65 H new ATOM 2722 N GLU A 168 7.874 19.006 12.693 1.00 38.79 N ATOM 2723 CA GLU A 168 7.629 19.924 13.802 1.00 37.99 C ATOM 2724 C GLU A 168 6.788 19.221 14.848 1.00 35.97 C ATOM 2725 O GLU A 168 6.005 18.332 14.513 1.00 34.40 O ATOM 2726 CB GLU A 168 6.871 21.149 13.317 1.00 41.72 C ATOM 2727 CG GLU A 168 7.382 21.709 12.023 1.00 49.06 C ATOM 2728 CD GLU A 168 6.446 22.749 11.473 1.00 56.28 C ATOM 2729 OE1 GLU A 168 5.279 22.404 11.171 1.00 60.29 O ATOM 2730 OE2 GLU A 168 6.872 23.917 11.352 1.00 62.33 O ATOM 2731 H GLU A 168 7.274 19.133 11.903 1.00 38.79 H new ATOM 2732 HA GLU A 168 8.595 20.237 14.225 1.00 37.99 H new ATOM 2733 1HB GLU A 168 5.809 20.887 13.198 1.00 41.72 H new ATOM 2734 2HB GLU A 168 6.925 21.930 14.089 1.00 41.72 H new ATOM 2735 1HG GLU A 168 8.376 22.152 12.179 1.00 49.06 H new ATOM 2736 2HG GLU A 168 7.503 20.897 11.291 1.00 49.06 H new ATOM 2737 N VAL A 169 6.941 19.622 16.109 1.00 34.94 N ATOM 2738 CA VAL A 169 6.172 19.015 17.195 1.00 31.83 C ATOM 2739 C VAL A 169 4.694 19.274 16.961 1.00 30.53 C ATOM 2740 O VAL A 169 4.307 20.367 16.552 1.00 29.32 O ATOM 2741 CB VAL A 169 6.558 19.598 18.566 1.00 29.28 C ATOM 2742 CG1 VAL A 169 5.667 19.014 19.640 1.00 27.12 C ATOM 2743 CG2 VAL A 169 8.010 19.298 18.862 1.00 29.10 C ATOM 2744 H VAL A 169 7.571 20.343 16.397 1.00 34.94 H new ATOM 2745 HA VAL A 169 6.392 17.937 17.201 1.00 31.83 H new ATOM 2746 HB VAL A 169 6.421 20.689 18.549 1.00 29.28 H new ATOM 2747 1HG1 VAL A 169 5.947 19.434 20.618 1.00 27.12 H new ATOM 2748 2HG1 VAL A 169 4.618 19.262 19.422 1.00 27.12 H new ATOM 2749 3HG1 VAL A 169 5.788 17.921 19.663 1.00 27.12 H new ATOM 2750 1HG2 VAL A 169 8.279 19.717 19.843 1.00 29.10 H new ATOM 2751 2HG2 VAL A 169 8.165 18.209 18.874 1.00 29.10 H new ATOM 2752 3HG2 VAL A 169 8.644 19.749 18.085 1.00 29.10 H new ATOM 2753 N GLN A 170 3.869 18.269 17.210 1.00 29.34 N ATOM 2754 CA GLN A 170 2.440 18.426 17.010 1.00 31.08 C ATOM 2755 C GLN A 170 1.759 18.296 18.357 1.00 31.47 C ATOM 2756 O GLN A 170 2.360 17.800 19.303 1.00 32.38 O ATOM 2757 CB GLN A 170 1.917 17.354 16.051 1.00 33.35 C ATOM 2758 CG GLN A 170 1.325 17.915 14.767 1.00 36.56 C ATOM 2759 CD GLN A 170 2.376 18.388 13.793 1.00 37.53 C ATOM 2760 OE1 GLN A 170 3.567 17.809 13.879 1.00 41.73 O flip ATOM 2761 NE2 GLN A 170 2.117 19.252 12.958 1.00 39.35 N flip ATOM 2762 H GLN A 170 4.154 17.369 17.539 1.00 29.34 H new ATOM 2763 HA GLN A 170 2.227 19.411 16.569 1.00 31.08 H new ATOM 2764 1HB GLN A 170 2.740 16.670 15.796 1.00 33.35 H new ATOM 2765 2HB GLN A 170 1.151 16.757 16.567 1.00 33.35 H new ATOM 2766 1HG GLN A 170 0.708 17.142 14.286 1.00 36.56 H new ATOM 2767 2HG GLN A 170 0.657 18.753 15.013 1.00 36.56 H new ATOM 2768 1HE2 GLN A 170 2.818 19.545 12.308 1.00 39.35 H new ATOM 2769 2HE2 GLN A 170 1.205 19.662 12.929 1.00 39.35 H new ATOM 2770 N GLU A 171 0.510 18.737 18.450 1.00 30.42 N ATOM 2771 CA GLU A 171 -0.202 18.656 19.715 1.00 31.02 C ATOM 2772 C GLU A 171 -1.716 18.652 19.518 1.00 29.03 C ATOM 2773 O GLU A 171 -2.255 19.468 18.777 1.00 29.21 O ATOM 2774 CB GLU A 171 0.202 19.832 20.604 1.00 34.22 C ATOM 2775 CG GLU A 171 -0.257 19.708 22.040 1.00 39.02 C ATOM 2776 CD GLU A 171 -0.678 21.041 22.632 1.00 44.31 C ATOM 2777 OE1 GLU A 171 0.118 22.006 22.577 1.00 44.11 O ATOM 2778 OE2 GLU A 171 -1.814 21.121 23.154 1.00 48.40 O ATOM 2779 H GLU A 171 -0.010 19.138 17.696 1.00 30.42 H new ATOM 2780 HA GLU A 171 0.072 17.706 20.197 1.00 31.02 H new ATOM 2781 1HB GLU A 171 1.297 19.930 20.588 1.00 34.22 H new ATOM 2782 2HB GLU A 171 -0.210 20.758 20.178 1.00 34.22 H new ATOM 2783 1HG GLU A 171 -1.101 19.004 22.093 1.00 39.02 H new ATOM 2784 2HG GLU A 171 0.556 19.282 22.646 1.00 39.02 H new ATOM 2785 N GLU A 172 -2.396 17.734 20.198 1.00 26.87 N ATOM 2786 CA GLU A 172 -3.844 17.611 20.093 1.00 25.44 C ATOM 2787 C GLU A 172 -4.399 17.229 21.459 1.00 25.47 C ATOM 2788 O GLU A 172 -3.853 16.346 22.108 1.00 26.20 O ATOM 2789 CB GLU A 172 -4.190 16.515 19.081 1.00 25.38 C ATOM 2790 CG GLU A 172 -5.639 16.498 18.651 1.00 26.90 C ATOM 2791 CD GLU A 172 -6.045 15.164 18.082 1.00 27.97 C ATOM 2792 OE1 GLU A 172 -5.203 14.535 17.411 1.00 27.77 O ATOM 2793 OE2 GLU A 172 -7.206 14.753 18.301 1.00 26.18 O ATOM 2794 H GLU A 172 -1.972 17.074 20.818 1.00 26.87 H new ATOM 2795 HA GLU A 172 -4.280 18.564 19.760 1.00 25.44 H new ATOM 2796 1HB GLU A 172 -3.557 16.642 18.190 1.00 25.38 H new ATOM 2797 2HB GLU A 172 -3.938 15.537 19.517 1.00 25.38 H new ATOM 2798 1HG GLU A 172 -6.279 16.738 19.513 1.00 26.90 H new ATOM 2799 2HG GLU A 172 -5.806 17.283 17.898 1.00 26.90 H new ATOM 2800 N LYS A 173 -5.481 17.871 21.894 1.00 26.27 N ATOM 2801 CA LYS A 173 -6.069 17.561 23.200 1.00 29.95 C ATOM 2802 C LYS A 173 -5.012 17.662 24.308 1.00 31.73 C ATOM 2803 O LYS A 173 -5.047 16.912 25.292 1.00 30.63 O ATOM 2804 CB LYS A 173 -6.649 16.139 23.224 1.00 31.79 C ATOM 2805 CG LYS A 173 -7.810 15.840 22.282 1.00 31.44 C ATOM 2806 CD LYS A 173 -8.200 14.362 22.446 1.00 33.42 C ATOM 2807 CE LYS A 173 -9.373 13.932 21.568 1.00 35.64 C ATOM 2808 NZ LYS A 173 -9.112 14.079 20.111 1.00 38.76 N ATOM 2809 H LYS A 173 -5.956 18.586 21.381 1.00 26.27 H new ATOM 2810 HA LYS A 173 -6.872 18.292 23.373 1.00 29.95 H new ATOM 2811 1HB LYS A 173 -5.835 15.436 22.994 1.00 31.79 H new ATOM 2812 2HB LYS A 173 -6.980 15.924 24.251 1.00 31.79 H new ATOM 2813 1HG LYS A 173 -8.667 16.490 22.513 1.00 31.44 H new ATOM 2814 2HG LYS A 173 -7.521 16.046 21.241 1.00 31.44 H new ATOM 2815 1HD LYS A 173 -7.328 13.734 22.210 1.00 33.42 H new ATOM 2816 2HD LYS A 173 -8.455 14.175 23.500 1.00 33.42 H new ATOM 2817 1HE LYS A 173 -9.616 12.881 21.784 1.00 35.64 H new ATOM 2818 2HE LYS A 173 -10.258 14.528 21.835 1.00 35.64 H new ATOM 2819 1HZ LYS A 173 -9.899 14.514 19.673 1.00 38.76 H + new ATOM 2820 2HZ LYS A 173 -8.299 14.645 19.973 1.00 38.76 H + new ATOM 2821 3HZ LYS A 173 -8.962 13.177 19.706 1.00 38.76 H + new ATOM 2822 N GLY A 174 -4.064 18.579 24.135 1.00 33.40 N ATOM 2823 CA GLY A 174 -3.018 18.762 25.124 1.00 31.40 C ATOM 2824 C GLY A 174 -1.893 17.744 25.086 1.00 31.72 C ATOM 2825 O GLY A 174 -0.950 17.834 25.877 1.00 32.38 O ATOM 2826 H GLY A 174 -4.003 19.186 23.343 1.00 33.40 H new ATOM 2827 1HA GLY A 174 -2.585 19.765 24.992 1.00 31.40 H new ATOM 2828 2HA GLY A 174 -3.476 18.738 26.124 1.00 31.40 H new ATOM 2829 N ILE A 175 -1.973 16.776 24.178 1.00 31.48 N ATOM 2830 CA ILE A 175 -0.929 15.756 24.075 1.00 31.89 C ATOM 2831 C ILE A 175 0.007 16.000 22.892 1.00 32.39 C ATOM 2832 O ILE A 175 -0.419 16.072 21.739 1.00 32.69 O ATOM 2833 CB ILE A 175 -1.535 14.330 23.973 1.00 32.14 C ATOM 2834 CG1 ILE A 175 -2.358 14.024 25.233 1.00 32.68 C ATOM 2835 CG2 ILE A 175 -0.426 13.302 23.810 1.00 31.85 C ATOM 2836 CD1 ILE A 175 -2.932 12.624 25.286 1.00 31.98 C ATOM 2837 H ILE A 175 -2.723 16.676 23.524 1.00 31.48 H new ATOM 2838 HA ILE A 175 -0.338 15.830 25.000 1.00 31.89 H new ATOM 2839 HB ILE A 175 -2.194 14.281 23.093 1.00 32.14 H new ATOM 2840 1HG1 ILE A 175 -1.722 14.179 26.117 1.00 32.68 H new ATOM 2841 2HG1 ILE A 175 -3.184 14.747 25.300 1.00 32.68 H new ATOM 2842 1HG2 ILE A 175 -0.865 12.296 23.739 1.00 31.85 H new ATOM 2843 2HG2 ILE A 175 0.144 13.519 22.894 1.00 31.85 H new ATOM 2844 3HG2 ILE A 175 0.247 13.347 24.679 1.00 31.85 H new ATOM 2845 1HD1 ILE A 175 -3.502 12.496 26.218 1.00 31.98 H new ATOM 2846 2HD1 ILE A 175 -3.598 12.467 24.425 1.00 31.98 H new ATOM 2847 3HD1 ILE A 175 -2.113 11.890 25.254 1.00 31.98 H new ATOM 2848 N LYS A 176 1.295 16.116 23.198 1.00 32.24 N ATOM 2849 CA LYS A 176 2.315 16.370 22.193 1.00 31.62 C ATOM 2850 C LYS A 176 2.897 15.089 21.584 1.00 31.48 C ATOM 2851 O LYS A 176 2.967 14.048 22.238 1.00 31.28 O ATOM 2852 CB LYS A 176 3.416 17.237 22.812 1.00 30.82 C ATOM 2853 CG LYS A 176 2.855 18.531 23.387 1.00 35.12 C ATOM 2854 CD LYS A 176 3.899 19.418 24.079 1.00 36.31 C ATOM 2855 CE LYS A 176 3.232 20.668 24.648 1.00 31.76 C ATOM 2856 NZ LYS A 176 4.187 21.570 25.321 1.00 33.38 N ATOM 2857 H LYS A 176 1.651 16.038 24.129 1.00 32.24 H new ATOM 2858 HA LYS A 176 1.839 16.903 21.356 1.00 31.62 H new ATOM 2859 1HB LYS A 176 3.926 16.672 23.607 1.00 30.82 H new ATOM 2860 2HB LYS A 176 4.172 17.471 22.048 1.00 30.82 H new ATOM 2861 1HG LYS A 176 2.383 19.105 22.576 1.00 35.12 H new ATOM 2862 2HG LYS A 176 2.063 18.285 24.110 1.00 35.12 H new ATOM 2863 1HD LYS A 176 4.392 18.856 24.886 1.00 36.31 H new ATOM 2864 2HD LYS A 176 4.682 19.705 23.361 1.00 36.31 H new ATOM 2865 1HE LYS A 176 2.731 21.213 23.835 1.00 31.76 H new ATOM 2866 2HE LYS A 176 2.452 20.368 25.363 1.00 31.76 H new ATOM 2867 1HZ LYS A 176 3.700 22.369 25.674 1.00 33.38 H + new ATOM 2868 2HZ LYS A 176 4.626 21.087 26.079 1.00 33.38 H + new ATOM 2869 3HZ LYS A 176 4.883 21.866 24.667 1.00 33.38 H + new ATOM 2870 N TYR A 177 3.295 15.181 20.318 1.00 28.76 N ATOM 2871 CA TYR A 177 3.855 14.049 19.596 1.00 27.23 C ATOM 2872 C TYR A 177 4.523 14.546 18.328 1.00 25.94 C ATOM 2873 O TYR A 177 4.249 15.652 17.861 1.00 26.44 O ATOM 2874 CB TYR A 177 2.748 13.044 19.242 1.00 26.47 C ATOM 2875 CG TYR A 177 1.638 13.621 18.394 1.00 27.66 C ATOM 2876 CD1 TYR A 177 1.735 13.646 16.995 1.00 28.70 C ATOM 2877 CD2 TYR A 177 0.523 14.213 18.985 1.00 27.78 C ATOM 2878 CE1 TYR A 177 0.755 14.257 16.211 1.00 23.74 C ATOM 2879 CE2 TYR A 177 -0.460 14.831 18.210 1.00 28.19 C ATOM 2880 CZ TYR A 177 -0.333 14.852 16.826 1.00 27.33 C ATOM 2881 OH TYR A 177 -1.278 15.516 16.073 1.00 29.69 O ATOM 2882 H TYR A 177 3.239 16.022 19.780 1.00 28.76 H new ATOM 2883 HA TYR A 177 4.597 13.545 20.232 1.00 27.23 H new ATOM 2884 1HB TYR A 177 3.197 12.193 18.709 1.00 26.47 H new ATOM 2885 2HB TYR A 177 2.316 12.648 20.173 1.00 26.47 H new ATOM 2886 HD1 TYR A 177 2.600 13.175 16.506 1.00 28.70 H new ATOM 2887 HD2 TYR A 177 0.416 14.193 20.080 1.00 27.78 H new ATOM 2888 HE1 TYR A 177 0.846 14.266 15.115 1.00 23.74 H new ATOM 2889 HE2 TYR A 177 -1.331 15.299 18.692 1.00 28.19 H new ATOM 2890 HH TYR A 177 -1.989 15.880 16.675 1.00 29.69 H new ATOM 2891 N LYS A 178 5.418 13.740 17.781 1.00 25.87 N ATOM 2892 CA LYS A 178 6.089 14.124 16.551 1.00 25.69 C ATOM 2893 C LYS A 178 6.425 12.888 15.719 1.00 23.56 C ATOM 2894 O LYS A 178 6.625 11.795 16.248 1.00 18.37 O ATOM 2895 CB LYS A 178 7.346 14.961 16.840 1.00 28.05 C ATOM 2896 CG LYS A 178 8.489 14.208 17.466 1.00 31.28 C ATOM 2897 CD LYS A 178 9.750 15.043 17.464 1.00 33.62 C ATOM 2898 CE LYS A 178 10.889 14.260 18.096 1.00 36.67 C ATOM 2899 NZ LYS A 178 10.542 13.834 19.489 1.00 39.00 N ATOM 2900 H LYS A 178 5.687 12.851 18.152 1.00 25.87 H new ATOM 2901 HA LYS A 178 5.403 14.755 15.967 1.00 25.69 H new ATOM 2902 1HB LYS A 178 7.695 15.406 15.897 1.00 28.05 H new ATOM 2903 2HB LYS A 178 7.068 15.792 17.505 1.00 28.05 H new ATOM 2904 1HG LYS A 178 8.229 13.930 18.498 1.00 31.28 H new ATOM 2905 2HG LYS A 178 8.663 13.272 16.915 1.00 31.28 H new ATOM 2906 1HD LYS A 178 10.013 15.324 16.434 1.00 33.62 H new ATOM 2907 2HD LYS A 178 9.583 15.978 18.019 1.00 33.62 H new ATOM 2908 1HE LYS A 178 11.114 13.375 17.483 1.00 36.67 H new ATOM 2909 2HE LYS A 178 11.798 14.879 18.114 1.00 36.67 H new ATOM 2910 1HZ LYS A 178 11.035 14.406 20.145 1.00 39.00 H + new ATOM 2911 2HZ LYS A 178 9.558 13.934 19.633 1.00 39.00 H + new ATOM 2912 3HZ LYS A 178 10.802 12.877 19.620 1.00 39.00 H + new ATOM 2913 N PHE A 179 6.472 13.088 14.407 1.00 24.34 N ATOM 2914 CA PHE A 179 6.727 12.020 13.458 1.00 24.07 C ATOM 2915 C PHE A 179 8.210 11.808 13.207 1.00 24.02 C ATOM 2916 O PHE A 179 8.965 12.762 13.028 1.00 25.02 O ATOM 2917 CB PHE A 179 6.007 12.335 12.143 1.00 21.59 C ATOM 2918 CG PHE A 179 4.568 12.765 12.324 1.00 20.56 C ATOM 2919 CD1 PHE A 179 4.117 13.977 11.796 1.00 21.23 C ATOM 2920 CD2 PHE A 179 3.659 11.952 12.997 1.00 20.77 C ATOM 2921 CE1 PHE A 179 2.783 14.366 11.933 1.00 20.55 C ATOM 2922 CE2 PHE A 179 2.320 12.336 13.139 1.00 20.04 C ATOM 2923 CZ PHE A 179 1.885 13.542 12.606 1.00 18.00 C ATOM 2924 H PHE A 179 6.336 13.983 13.982 1.00 24.34 H new ATOM 2925 HA PHE A 179 6.341 11.084 13.889 1.00 24.07 H new ATOM 2926 1HB PHE A 179 6.555 13.131 11.617 1.00 21.59 H new ATOM 2927 2HB PHE A 179 6.036 11.445 11.498 1.00 21.59 H new ATOM 2928 HD1 PHE A 179 4.822 14.634 11.265 1.00 21.23 H new ATOM 2929 HD2 PHE A 179 3.998 10.996 13.422 1.00 20.77 H new ATOM 2930 HE1 PHE A 179 2.442 15.322 11.510 1.00 20.55 H new ATOM 2931 HE2 PHE A 179 1.613 11.683 13.672 1.00 20.04 H new ATOM 2932 HZ PHE A 179 0.833 13.846 12.715 1.00 18.00 H new ATOM 2933 N GLU A 180 8.616 10.544 13.202 1.00 23.96 N ATOM 2934 CA GLU A 180 10.006 10.182 12.981 1.00 24.07 C ATOM 2935 C GLU A 180 10.121 9.046 11.981 1.00 21.47 C ATOM 2936 O GLU A 180 9.207 8.236 11.839 1.00 22.26 O ATOM 2937 CB GLU A 180 10.653 9.768 14.301 1.00 26.07 C ATOM 2938 CG GLU A 180 11.053 10.936 15.180 1.00 30.47 C ATOM 2939 CD GLU A 180 11.539 10.492 16.549 1.00 36.50 C ATOM 2940 OE1 GLU A 180 12.088 11.348 17.280 1.00 40.68 O ATOM 2941 OE2 GLU A 180 11.365 9.296 16.896 1.00 33.07 O ATOM 2942 H GLU A 180 8.007 9.764 13.347 1.00 23.96 H new ATOM 2943 HA GLU A 180 10.527 11.061 12.573 1.00 24.07 H new ATOM 2944 1HB GLU A 180 9.953 9.127 14.856 1.00 26.07 H new ATOM 2945 2HB GLU A 180 11.545 9.161 14.087 1.00 26.07 H new ATOM 2946 1HG GLU A 180 11.847 11.511 14.681 1.00 30.47 H new ATOM 2947 2HG GLU A 180 10.193 11.612 15.301 1.00 30.47 H new ATOM 2948 N VAL A 181 11.247 8.984 11.287 1.00 19.81 N ATOM 2949 CA VAL A 181 11.446 7.927 10.308 1.00 19.84 C ATOM 2950 C VAL A 181 12.844 7.324 10.444 1.00 22.65 C ATOM 2951 O VAL A 181 13.855 8.040 10.416 1.00 21.66 O ATOM 2952 CB VAL A 181 11.242 8.468 8.868 1.00 18.06 C ATOM 2953 CG1 VAL A 181 11.354 7.341 7.857 1.00 17.18 C ATOM 2954 CG2 VAL A 181 9.887 9.145 8.760 1.00 13.87 C ATOM 2955 H VAL A 181 12.008 9.626 11.378 1.00 19.81 H new ATOM 2956 HA VAL A 181 10.700 7.141 10.499 1.00 19.84 H new ATOM 2957 HB VAL A 181 12.028 9.206 8.650 1.00 18.06 H new ATOM 2958 1HG1 VAL A 181 11.207 7.741 6.843 1.00 17.18 H new ATOM 2959 2HG1 VAL A 181 12.351 6.881 7.928 1.00 17.18 H new ATOM 2960 3HG1 VAL A 181 10.585 6.582 8.066 1.00 17.18 H new ATOM 2961 1HG2 VAL A 181 9.748 9.527 7.738 1.00 13.87 H new ATOM 2962 2HG2 VAL A 181 9.094 8.418 8.991 1.00 13.87 H new ATOM 2963 3HG2 VAL A 181 9.836 9.981 9.473 1.00 13.87 H new ATOM 2964 N TYR A 182 12.896 6.007 10.619 1.00 24.82 N ATOM 2965 CA TYR A 182 14.170 5.302 10.741 1.00 26.45 C ATOM 2966 C TYR A 182 14.313 4.383 9.549 1.00 26.54 C ATOM 2967 O TYR A 182 13.320 4.001 8.936 1.00 28.23 O ATOM 2968 CB TYR A 182 14.210 4.492 12.033 1.00 26.72 C ATOM 2969 CG TYR A 182 13.985 5.343 13.256 1.00 28.06 C ATOM 2970 CD1 TYR A 182 12.699 5.702 13.657 1.00 27.66 C ATOM 2971 CD2 TYR A 182 15.065 5.841 13.986 1.00 29.84 C ATOM 2972 CE1 TYR A 182 12.498 6.537 14.754 1.00 28.70 C ATOM 2973 CE2 TYR A 182 14.873 6.680 15.084 1.00 28.98 C ATOM 2974 CZ TYR A 182 13.593 7.022 15.459 1.00 28.92 C ATOM 2975 OH TYR A 182 13.416 7.851 16.539 1.00 30.86 O ATOM 2976 H TYR A 182 12.090 5.418 10.678 1.00 24.82 H new ATOM 2977 HA TYR A 182 14.998 6.026 10.768 1.00 26.45 H new ATOM 2978 1HB TYR A 182 13.443 3.705 11.992 1.00 26.72 H new ATOM 2979 2HB TYR A 182 15.184 3.988 12.116 1.00 26.72 H new ATOM 2980 HD1 TYR A 182 11.831 5.321 13.099 1.00 27.66 H new ATOM 2981 HD2 TYR A 182 16.088 5.567 13.690 1.00 29.84 H new ATOM 2982 HE1 TYR A 182 11.478 6.811 15.061 1.00 28.70 H new ATOM 2983 HE2 TYR A 182 15.737 7.065 15.645 1.00 28.98 H new ATOM 2984 HH TYR A 182 12.438 7.994 16.693 1.00 30.86 H new ATOM 2985 N GLU A 183 15.545 4.031 9.211 1.00 28.32 N ATOM 2986 CA GLU A 183 15.779 3.163 8.065 1.00 30.29 C ATOM 2987 C GLU A 183 16.908 2.161 8.280 1.00 31.55 C ATOM 2988 O GLU A 183 17.898 2.448 8.947 1.00 28.98 O ATOM 2989 CB GLU A 183 16.065 4.015 6.828 1.00 28.15 C ATOM 2990 CG GLU A 183 16.498 3.236 5.611 1.00 26.27 C ATOM 2991 CD GLU A 183 16.610 4.122 4.402 1.00 26.92 C ATOM 2992 OE1 GLU A 183 15.562 4.530 3.863 1.00 31.68 O ATOM 2993 OE2 GLU A 183 17.745 4.430 3.993 1.00 29.11 O ATOM 2994 H GLU A 183 16.370 4.322 9.695 1.00 28.32 H new ATOM 2995 HA GLU A 183 14.863 2.571 7.923 1.00 30.29 H new ATOM 2996 1HB GLU A 183 15.160 4.587 6.577 1.00 28.15 H new ATOM 2997 2HB GLU A 183 16.849 4.746 7.076 1.00 28.15 H new ATOM 2998 1HG GLU A 183 17.468 2.756 5.807 1.00 26.27 H new ATOM 2999 2HG GLU A 183 15.775 2.431 5.412 1.00 26.27 H new ATOM 3000 N LYS A 184 16.741 0.982 7.694 1.00 35.80 N ATOM 3001 CA LYS A 184 17.719 -0.093 7.794 1.00 38.18 C ATOM 3002 C LYS A 184 17.775 -0.765 6.433 1.00 40.42 C ATOM 3003 O LYS A 184 16.744 -0.949 5.794 1.00 40.22 O ATOM 3004 CB LYS A 184 17.277 -1.095 8.864 1.00 36.48 C ATOM 3005 CG LYS A 184 18.191 -2.294 9.036 1.00 37.78 C ATOM 3006 CD LYS A 184 17.761 -3.154 10.225 1.00 37.66 C ATOM 3007 CE LYS A 184 16.446 -3.875 9.975 1.00 36.31 C ATOM 3008 NZ LYS A 184 16.576 -4.955 8.955 1.00 39.28 N ATOM 3009 H LYS A 184 15.938 0.749 7.146 1.00 35.80 H new ATOM 3010 HA LYS A 184 18.709 0.292 8.079 1.00 38.18 H new ATOM 3011 1HB LYS A 184 17.201 -0.570 9.828 1.00 36.48 H new ATOM 3012 2HB LYS A 184 16.268 -1.455 8.613 1.00 36.48 H new ATOM 3013 1HG LYS A 184 18.181 -2.901 8.119 1.00 37.78 H new ATOM 3014 2HG LYS A 184 19.226 -1.951 9.183 1.00 37.78 H new ATOM 3015 1HD LYS A 184 18.546 -3.894 10.442 1.00 37.66 H new ATOM 3016 2HD LYS A 184 17.663 -2.518 11.117 1.00 37.66 H new ATOM 3017 1HE LYS A 184 16.083 -4.307 10.919 1.00 36.31 H new ATOM 3018 2HE LYS A 184 15.690 -3.149 9.642 1.00 36.31 H new ATOM 3019 1HZ LYS A 184 16.029 -4.722 8.151 1.00 39.28 H + new ATOM 3020 2HZ LYS A 184 17.535 -5.049 8.689 1.00 39.28 H + new ATOM 3021 3HZ LYS A 184 16.251 -5.819 9.340 1.00 39.28 H + new ATOM 3022 N LYS A 185 18.973 -1.114 5.981 1.00 45.32 N ATOM 3023 CA LYS A 185 19.116 -1.771 4.688 1.00 53.50 C ATOM 3024 C LYS A 185 20.242 -2.799 4.705 1.00 57.67 C ATOM 3025 O LYS A 185 21.416 -2.449 4.601 1.00 61.08 O ATOM 3026 CB LYS A 185 19.376 -0.733 3.588 1.00 53.46 C ATOM 3027 CG LYS A 185 19.296 -1.285 2.156 1.00 57.22 C ATOM 3028 CD LYS A 185 20.414 -2.297 1.840 1.00 59.21 C ATOM 3029 CE LYS A 185 20.460 -2.674 0.355 1.00 59.36 C ATOM 3030 NZ LYS A 185 21.683 -3.462 -0.008 1.00 56.51 N ATOM 3031 H LYS A 185 19.830 -0.959 6.472 1.00 45.32 H new ATOM 3032 HA LYS A 185 18.174 -2.298 4.477 1.00 53.50 H new ATOM 3033 1HB LYS A 185 18.647 0.084 3.693 1.00 53.46 H new ATOM 3034 2HB LYS A 185 20.373 -0.296 3.743 1.00 53.46 H new ATOM 3035 1HG LYS A 185 18.319 -1.768 2.009 1.00 57.22 H new ATOM 3036 2HG LYS A 185 19.352 -0.449 1.443 1.00 57.22 H new ATOM 3037 1HD LYS A 185 21.384 -1.872 2.138 1.00 59.21 H new ATOM 3038 2HD LYS A 185 20.263 -3.206 2.441 1.00 59.21 H new ATOM 3039 1HE LYS A 185 19.564 -3.260 0.103 1.00 59.36 H new ATOM 3040 2HE LYS A 185 20.427 -1.757 -0.252 1.00 59.36 H new ATOM 3041 1HZ LYS A 185 21.662 -3.680 -0.984 1.00 56.51 H + new ATOM 3042 2HZ LYS A 185 22.500 -2.922 0.195 1.00 56.51 H + new ATOM 3043 3HZ LYS A 185 21.704 -4.310 0.522 1.00 56.51 H + new ATOM 3044 N ASP A 186 19.881 -4.072 4.825 1.00 62.08 N ATOM 3045 CA ASP A 186 20.873 -5.141 4.844 1.00 65.47 C ATOM 3046 C ASP A 186 20.376 -6.360 4.069 1.00 66.47 C ATOM 3047 O ASP A 186 20.543 -7.502 4.559 1.00 66.41 O ATOM 3048 CB ASP A 186 21.188 -5.527 6.292 1.00 67.92 C ATOM 3049 CG ASP A 186 19.936 -5.773 7.109 1.00 69.70 C ATOM 3050 OD1 ASP A 186 19.114 -6.609 6.683 1.00 70.88 O ATOM 3051 OD2 ASP A 186 19.772 -5.135 8.172 1.00 70.27 O ATOM 3052 OXT ASP A 186 19.833 -6.148 2.964 1.00 68.19 O ATOM 3053 H ASP A 186 18.934 -4.382 4.908 1.00 62.08 H new ATOM 3054 HA ASP A 186 21.790 -4.778 4.357 1.00 65.47 H new ATOM 3055 1HB ASP A 186 21.812 -6.433 6.300 1.00 67.92 H new ATOM 3056 2HB ASP A 186 21.778 -4.726 6.762 1.00 67.92 H new TER 3056 ASP A 186 CONECT 3057 3058 3068 CONECT 3058 3057 3059 3060 CONECT 3059 3058 CONECT 3060 3058 3061 CONECT 3061 3060 3062 3063 CONECT 3062 3061 CONECT 3063 3061 3064 3068 CONECT 3064 3063 3065 CONECT 3065 3064 3066 3069 CONECT 3066 3065 3067 CONECT 3067 3066 3068 CONECT 3068 3057 3063 3067 CONECT 3069 3065 3070 CONECT 3070 3069 3071 3075 CONECT 3071 3070 CONECT 3072 3073 3077 3078 CONECT 3073 3072 3074 CONECT 3074 3073 3075 CONECT 3075 3070 3074 3076 CONECT 3076 3075 3077 CONECT 3077 3072 3076 CONECT 3078 3072 3079 3080 CONECT 3079 3078 CONECT 3080 3078 3081 CONECT 3081 3080 3082 3085 CONECT 3082 3081 3083 3084 CONECT 3083 3082 CONECT 3084 3082 CONECT 3085 3081 3086 CONECT 3086 3085 3087 CONECT 3087 3086 3088 3089 CONECT 3088 3087 CONECT 3089 3087 CONECT 3111 3112 3113 3114 3133 CONECT 3112 3111 CONECT 3113 3111 CONECT 3114 3111 3115 CONECT 3115 3114 3116 CONECT 3116 3115 3117 3118 CONECT 3117 3116 3122 CONECT 3118 3116 3119 3120 CONECT 3119 3118 CONECT 3120 3118 3121 3122 CONECT 3121 3120 3155 CONECT 3122 3117 3120 3123 CONECT 3123 3122 3124 3132 CONECT 3124 3123 3125 CONECT 3125 3124 3126 CONECT 3126 3125 3127 3132 CONECT 3127 3126 3128 3129 CONECT 3128 3127 CONECT 3129 3127 3130 CONECT 3130 3129 3131 CONECT 3131 3130 3132 CONECT 3132 3123 3126 3131 CONECT 3133 3111 3134 CONECT 3134 3133 3135 3136 3137 CONECT 3135 3134 CONECT 3136 3134 CONECT 3137 3134 3138 CONECT 3138 3137 3139 CONECT 3139 3138 3140 3141 CONECT 3140 3139 3145 CONECT 3141 3139 3142 3143 CONECT 3142 3141 CONECT 3143 3141 3144 3145 CONECT 3144 3143 CONECT 3145 3140 3143 3146 CONECT 3146 3145 3147 3154 CONECT 3147 3146 3148 CONECT 3148 3147 3149 3152 CONECT 3149 3148 3150 3151 CONECT 3150 3149 CONECT 3151 3149 CONECT 3152 3148 3153 CONECT 3153 3152 3154 CONECT 3154 3146 3153 CONECT 3155 3121 3156 3157 3158 CONECT 3156 3155 CONECT 3157 3155 CONECT 3158 3155 END