Browse entries in the PDBbind-CN Database
HEADER HYDROLASE/HYDROLASE INHIBITOR 18-SEP-98 4THN TITLE THE CRYSTAL STRUCTURE OF ALPHA-THROMBIN-HIRUNORM IV COMPLEX REVEALS A TITLE 2 NOVEL SPECIFICITY SITE RECOGNITION MODE. CAVEAT 4THN NAG H 400 HAS WRONG CHIRALITY AT ATOM C2 NAG H 400 HAS WRONG CAVEAT 2 4THN CHIRALITY AT ATOM C4 COMPND MOL_ID: 1; COMPND 2 MOLECULE: ALPHA-THROMBIN; COMPND 3 CHAIN: L; COMPND 4 EC: 3.4.21.5; COMPND 5 MOL_ID: 2; COMPND 6 MOLECULE: ALPHA-THROMBIN; COMPND 7 CHAIN: H; COMPND 8 EC: 3.4.21.5; COMPND 9 MOL_ID: 3; COMPND 10 MOLECULE: HIRUNORM IV; COMPND 11 CHAIN: I; COMPND 12 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; SOURCE 3 ORGANISM_COMMON: HUMAN; SOURCE 4 ORGANISM_TAXID: 9606; SOURCE 5 ORGAN: SEED; SOURCE 6 TISSUE: PLASMA; SOURCE 7 MOL_ID: 2; SOURCE 8 ORGANISM_SCIENTIFIC: HOMO SAPIENS; SOURCE 9 ORGANISM_COMMON: HUMAN; SOURCE 10 ORGANISM_TAXID: 9606; SOURCE 11 ORGAN: SEED; SOURCE 12 TISSUE: PLASMA; SOURCE 13 MOL_ID: 3 KEYWDS COMPLEX (SERINE PROTEASE-INHIBITOR), THROMBIN SYNTHETIC INHIBITORS, KEYWDS 2 ANTITHROMBOTICS, HIRUDIN-LIKE BINDING MODE, HIRUNORMS, THROMBIN, KEYWDS 3 HYDROLASE-HYDROLASE INHIBITOR COMPLEX EXPDTA X-RAY DIFFRACTION AUTHOR A.LOMBARDI,G.DE SIMONE,F.NASTRI,S.GALDIERO,R.DELLA MORTE,N.STAIANO, AUTHOR 2 C.PEDONE,M.BOLOGNESI,V.PAVONE REVDAT 4 29-JUL-20 4THN 1 CAVEAT COMPND REMARK HETNAM REVDAT 4 2 1 LINK SITE REVDAT 3 13-JUL-11 4THN 1 VERSN REVDAT 2 24-FEB-09 4THN 1 VERSN REVDAT 1 15-JUN-99 4THN 0 JRNL AUTH A.LOMBARDI,G.DE SIMONE,F.NASTRI,S.GALDIERO,R.DELLA MORTE, JRNL AUTH 2 N.STAIANO,C.PEDONE,M.BOLOGNESI,V.PAVONE JRNL TITL THE CRYSTAL STRUCTURE OF ALPHA-THROMBIN-HIRUNORM IV COMPLEX JRNL TITL 2 REVEALS A NOVEL SPECIFICITY SITE RECOGNITION MODE. JRNL REF PROTEIN SCI. V. 8 91 1999 JRNL REFN ISSN 0961-8368 JRNL PMID 10210187 REMARK 1 REMARK 1 REFERENCE 1 REMARK 1 AUTH T.J.RYDEL,K.G.RAVICHANDRAN,A.TULINSKY,W.BODE,R.HUBER, REMARK 1 AUTH 2 C.ROITSCH,J.W.FENTON 2D REMARK 1 TITL THE STRUCTURE OF A COMPLEX OF RECOMBINANT HIRUDIN AND HUMAN REMARK 1 TITL 2 ALPHA-THROMBIN REMARK 1 REF SCIENCE V. 249 277 1990 REMARK 1 REFN ISSN 0036-8075 REMARK 1 REFERENCE 2 REMARK 1 AUTH G.DE SIMONE,A.LOMBARDI,S.GALDIERO,F.NASTRI,R.DELLA MORTE, REMARK 1 AUTH 2 N.STAIANO,C.PEDONE,M.BOLOGNESI,V.PAVONE REMARK 1 TITL HIRUNORMS ARE TRUE HIRUDIN MIMETICS. THE CRYSTAL STRUCTURE REMARK 1 TITL 2 OF HUMAN ALPHA-THROMBIN-HIRUNORM V COMPLEX REMARK 1 REF PROTEIN SCI. V. 7 243 1998 REMARK 1 REFN ISSN 0961-8368 REMARK 1 REFERENCE 3 REMARK 1 AUTH A.LOMBARDI,F.NASTRI,R.DELLA MORTE,A.ROSSI,A.DE ROSA, REMARK 1 AUTH 2 N.STAIANO,C.PEDONE,V.PAVONE REMARK 1 TITL RATIONAL DESIGN OF TRUE HIRUDIN MIMETICS: SYNTHESIS AND REMARK 1 TITL 2 CHARACTERIZATION OF MULTISITE-DIRECTED ALPHA-THROMBIN REMARK 1 TITL 3 INHIBITORS REMARK 1 REF J.MED.CHEM. V. 39 2008 1996 REMARK 1 REFN ISSN 0022-2623 REMARK 1 REFERENCE 4 REMARK 1 AUTH T.J.RYDEL,A.TULINSKY,W.BODE,R.HUBER REMARK 1 TITL REFINED STRUCTURE OF THE HIRUDIN-THROMBIN COMPLEX REMARK 1 REF J.MOL.BIOL. V. 221 583 1991 REMARK 1 REFN ISSN 0022-2836 REMARK 2 REMARK 2 RESOLUTION. 2.50 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : TNT 5E REMARK 3 AUTHORS : TRONRUD,TEN EYCK,MATTHEWS REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 2.50 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 20.00 REMARK 3 DATA CUTOFF (SIGMA(F)) : 0.000 REMARK 3 COMPLETENESS FOR RANGE (%) : 96.0 REMARK 3 NUMBER OF REFLECTIONS : 12880 REMARK 3 REMARK 3 USING DATA ABOVE SIGMA CUTOFF. REMARK 3 CROSS-VALIDATION METHOD : NULL REMARK 3 FREE R VALUE TEST SET SELECTION : NULL REMARK 3 R VALUE (WORKING + TEST SET) : NULL REMARK 3 R VALUE (WORKING SET) : 0.173 REMARK 3 FREE R VALUE : NULL REMARK 3 FREE R VALUE TEST SET SIZE (%) : NULL REMARK 3 FREE R VALUE TEST SET COUNT : NULL REMARK 3 REMARK 3 USING ALL DATA, NO SIGMA CUTOFF. REMARK 3 R VALUE (WORKING + TEST SET, NO CUTOFF) : 0.1730 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) : 12880 REMARK 3 REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. REMARK 3 PROTEIN ATOMS : 2474 REMARK 3 NUCLEIC ACID ATOMS : 0 REMARK 3 HETEROGEN ATOMS : 14 REMARK 3 SOLVENT ATOMS : 78 REMARK 3 REMARK 3 WILSON B VALUE (FROM FCALC, A**2) : NULL REMARK 3 REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES. RMS WEIGHT COUNT REMARK 3 BOND LENGTHS (A) : 0.014 ; 23.000; 3452 REMARK 3 BOND ANGLES (DEGREES) : 2.377 ; 60.000; 3443 REMARK 3 TORSION ANGLES (DEGREES) : 19.634; 7.000 ; 1488 REMARK 3 PSEUDOROTATION ANGLES (DEGREES) : NULL ; NULL ; NULL REMARK 3 TRIGONAL CARBON PLANES (A) : 0.015 ; 37.000; 65 REMARK 3 GENERAL PLANES (A) : 0.023 ; 140.00; 359 REMARK 3 ISOTROPIC THERMAL FACTORS (A**2) : 5.557 ; 35.000; 2502 REMARK 3 NON-BONDED CONTACTS (A) : 0.376 ; 25.000; 100 REMARK 3 REMARK 3 INCORRECT CHIRAL-CENTERS (COUNT) : NULL REMARK 3 REMARK 3 BULK SOLVENT MODELING. REMARK 3 METHOD USED : NULL REMARK 3 KSOL : 0.77 REMARK 3 BSOL : 147.6 REMARK 3 REMARK 3 RESTRAINT LIBRARIES. REMARK 3 STEREOCHEMISTRY : NULL REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS : NULL REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 4THN COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY BNL. REMARK 100 THE DEPOSITION ID IS D_1000179428. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : JUN-96 REMARK 200 TEMPERATURE (KELVIN) : 293 REMARK 200 PH : 7.0 REMARK 200 NUMBER OF CRYSTALS USED : 1 REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : N REMARK 200 RADIATION SOURCE : NULL REMARK 200 BEAMLINE : NULL REMARK 200 X-RAY GENERATOR MODEL : NULL REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M REMARK 200 WAVELENGTH OR RANGE (A) : 1.5418 REMARK 200 MONOCHROMATOR : NULL REMARK 200 OPTICS : COLLIMATOR REMARK 200 REMARK 200 DETECTOR TYPE : IMAGE PLATE REMARK 200 DETECTOR MANUFACTURER : RIGAKU RAXIS II REMARK 200 INTENSITY-INTEGRATION SOFTWARE : MOSFLM, CCP4 REMARK 200 DATA SCALING SOFTWARE : CCP4 REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 12580 REMARK 200 RESOLUTION RANGE HIGH (A) : 2.500 REMARK 200 RESOLUTION RANGE LOW (A) : 20.000 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : 1.500 REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 96.3 REMARK 200 DATA REDUNDANCY : 2.600 REMARK 200 R MERGE (I) : 0.10400 REMARK 200 R SYM (I) : NULL REMARK 200
FOR THE DATA SET : 5.0000 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) : 2.63 REMARK 200 COMPLETENESS FOR SHELL (%) : 97.4 REMARK 200 DATA REDUNDANCY IN SHELL : 2.60 REMARK 200 R MERGE FOR SHELL (I) : 0.43900 REMARK 200 R SYM FOR SHELL (I) : NULL REMARK 200
FOR SHELL : 1.600 REMARK 200 REMARK 200 DIFFRACTION PROTOCOL: NULL REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT REMARK 200 SOFTWARE USED: CCP4 REMARK 200 STARTING MODEL: PDB ENTRY 1HAH (J. VIJAYALAKSHMI ET AL., PROTEIN REMARK 200 SCI. 3, 2254-71) REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 52.33 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.58 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: PH 7.0 REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: C 1 2 1 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 -X,Y,-Z REMARK 290 3555 X+1/2,Y+1/2,Z REMARK 290 4555 -X+1/2,Y+1/2,-Z REMARK 290 REMARK 290 WHERE NNN -> OPERATOR NUMBER REMARK 290 MMM -> TRANSLATION VECTOR REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY REMARK 290 RELATED MOLECULES. REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 2 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 2 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 2 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY1 3 1.000000 0.000000 0.000000 36.15000 REMARK 290 SMTRY2 3 0.000000 1.000000 0.000000 36.35000 REMARK 290 SMTRY3 3 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 4 -1.000000 0.000000 0.000000 36.15000 REMARK 290 SMTRY2 4 0.000000 1.000000 0.000000 36.35000 REMARK 290 SMTRY3 4 0.000000 0.000000 -1.000000 0.00000 REMARK 290 REMARK 290 REMARK: NULL REMARK 300 REMARK 300 BIOMOLECULE: 1 REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON REMARK 300 BURIED SURFACE AREA. REMARK 350 REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. REMARK 350 REMARK 350 BIOMOLECULE: 1 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: TRIMERIC REMARK 350 APPLY THE FOLLOWING TO CHAINS: L, H, I 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 400 REMARK 400 COMPOUND REMARK 400 THROMBIN IS CLEAVED BETWEEN RESIDUES 15 AND 16. CHAIN REMARK 400 INDICATOR *L* IS USED FOR RESIDUES 1H - 15 AND CHAIN REMARK 400 INDICATOR *H* IS USED FOR RESIDUES 16 - 247. CHAIN *I* IS REMARK 400 USED FOR HIRUNORM IV. REMARK 465 REMARK 465 MISSING RESIDUES REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE REMARK 465 EXPERIMENT. (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 465 IDENTIFIER; SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.) REMARK 465 REMARK 465 M RES C SSSEQI REMARK 465 THR H 148A REMARK 465 ALA H 148B REMARK 465 ASN H 148C REMARK 465 VAL H 148D REMARK 465 GLY H 148E REMARK 465 LYS H 148F REMARK 465 THR I 4 REMARK 465 ASP I 5 REMARK 465 DAL I 6 REMARK 465 GLY I 7 REMARK 465 BAL I 8 REMARK 465 PRO I 9 REMARK 465 GLU I 10 REMARK 465 SER I 11 REMARK 465 HIS I 12 REMARK 465 HMF I 13 REMARK 465 GLY I 14 REMARK 465 GLY I 15 REMARK 475 REMARK 475 ZERO OCCUPANCY RESIDUES REMARK 475 THE FOLLOWING RESIDUES WERE MODELED WITH ZERO OCCUPANCY. REMARK 475 THE LOCATION AND PROPERTIES OF THESE RESIDUES MAY NOT REMARK 475 BE RELIABLE. (M=MODEL NUMBER; RES=RESIDUE NAME; REMARK 475 C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE) REMARK 475 M RES C SSEQI REMARK 475 THR L 1H REMARK 475 PHE L 1G REMARK 475 GLY L 1F REMARK 475 GLY L 1D REMARK 475 GLU L 1C REMARK 475 ILE L 14K REMARK 475 ASP L 14L REMARK 475 GLY L 14M REMARK 475 ARG L 15 REMARK 475 TRP H 148 REMARK 475 GLU H 247 REMARK 475 TYR I 24 REMARK 475 ALC I 25 REMARK 475 DGL I 26 REMARK 480 REMARK 480 ZERO OCCUPANCY ATOM REMARK 480 THE FOLLOWING RESIDUES HAVE ATOMS MODELED WITH ZERO REMARK 480 OCCUPANCY. THE LOCATION AND PROPERTIES OF THESE ATOMS REMARK 480 MAY NOT BE RELIABLE. (M=MODEL NUMBER; RES=RESIDUE NAME; REMARK 480 C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE): REMARK 480 M RES C SSEQI ATOMS REMARK 480 SER L 1E N CA C O REMARK 480 GLU L 13 CD OE1 OE2 REMARK 480 LYS L 14A CB CG CD CE NZ REMARK 480 ARG L 14D CB CG CD NE CZ NH1 NH2 REMARK 480 ARG H 35 CB CG CD NE CZ NH1 NH2 REMARK 480 LYS H 36 CD CE NZ REMARK 480 SER H 36A CB OG REMARK 480 GLN H 38 CG CD OE1 NE2 REMARK 480 ARG H 50 CG CD NE CZ NH1 NH2 REMARK 480 ASN H 62 CG OD1 ND2 REMARK 480 LYS H 81 CD CE NZ REMARK 480 MET H 84 CG SD CE REMARK 480 GLU H 86 OE1 OE2 REMARK 480 LYS H 87 CD CE NZ REMARK 480 LYS H 107 CE NZ REMARK 480 LYS H 109 CD CE NZ REMARK 480 LYS H 110 CG CD CE NZ REMARK 480 ARG H 126 CG CD NE CZ NH1 NH2 REMARK 480 GLU H 127 CD OE1 OE2 REMARK 480 GLN H 131 OE1 NE2 REMARK 480 LYS H 145 CG CD CE NZ REMARK 480 THR H 147 CB OG1 CG2 REMARK 480 GLN H 151 CD OE1 NE2 REMARK 480 ARG H 165 NE CZ REMARK 480 LYS H 169 CD CE NZ REMARK 480 LYS H 186D CD CE NZ REMARK 480 ARG H 233 CZ NH1 NH2 REMARK 480 LYS H 236 CG CD CE NZ REMARK 480 GLN H 239 CG CD OE1 NE2 REMARK 480 LYS H 240 CD CE NZ REMARK 480 ASP H 243 CG OD1 OD2 REMARK 480 GLN H 244 CG CD OE1 NE2 REMARK 480 GLY H 246 O REMARK 480 NAL I 3 C O REMARK 480 GLU I 19 CD OE1 OE2 REMARK 480 AIB I 22 CB1 CB2 REMARK 480 AIB I 23 O CB1 CB2 REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: CLOSE CONTACTS IN SAME ASYMMETRIC UNIT REMARK 500 REMARK 500 THE FOLLOWING ATOMS ARE IN CLOSE CONTACT. REMARK 500 REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI DISTANCE REMARK 500 OD1 ASP H 125 OG1 THR H 128 2.11 REMARK 500 OE1 GLU H 146 NE ARG H 221A 2.14 REMARK 500 NE2 HIS H 57 O HOH H 470 2.15 REMARK 500 N CHG I 1 O HOH H 470 2.17 REMARK 500 REMARK 500 REMARK: NULL 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 O ASP L 14L NH2 ARG H 173 4556 1.22 REMARK 500 C ASP L 14L NH2 ARG H 173 4556 2.05 REMARK 500 O ASP L 14L CZ ARG H 173 4556 2.13 REMARK 500 REMARK 500 REMARK: NULL 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),1X,F6.3) REMARK 500 REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 REMARK 500 REMARK 500 M RES CSSEQI ATM1 RES CSSEQI ATM2 DEVIATION REMARK 500 GLU L 14C CD GLU L 14C OE2 0.079 REMARK 500 GLU L 14H CD GLU L 14H OE2 0.091 REMARK 500 GLU H 18 CD GLU H 18 OE2 0.106 REMARK 500 GLU H 23 CD GLU H 23 OE2 0.068 REMARK 500 GLU H 39 CD GLU H 39 OE2 0.074 REMARK 500 GLU H 77 CD GLU H 77 OE2 0.083 REMARK 500 GLU H 97A CD GLU H 97A OE2 0.074 REMARK 500 GLU H 164 CD GLU H 164 OE1 0.080 REMARK 500 GLU H 192 CD GLU H 192 OE2 0.086 REMARK 500 GLU H 217 CD GLU H 217 OE2 0.104 REMARK 500 GLU I 18 CD GLU I 18 OE2 0.070 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: COVALENT BOND ANGLES REMARK 500 REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1) REMARK 500 REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 REMARK 500 REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3 REMARK 500 ASP L 1A CB - CG - OD2 ANGL. DEV. = -6.3 DEGREES REMARK 500 ASP L 14 CB - CG - OD1 ANGL. DEV. = 5.4 DEGREES REMARK 500 ASP L 14 CB - CG - OD2 ANGL. DEV. = -5.8 DEGREES REMARK 500 ASP H 21 CB - CG - OD1 ANGL. DEV. = 5.8 DEGREES REMARK 500 ASP H 21 CB - CG - OD2 ANGL. DEV. = -6.3 DEGREES REMARK 500 ASP H 49 CB - CG - OD2 ANGL. DEV. = -7.3 DEGREES REMARK 500 TRP H 60D CA - CB - CG ANGL. DEV. = -12.2 DEGREES REMARK 500 ASP H 60E CB - CG - OD1 ANGL. DEV. = -5.6 DEGREES REMARK 500 ASP H 63 CB - CG - OD1 ANGL. DEV. = -7.2 DEGREES REMARK 500 ARG H 75 NE - CZ - NH1 ANGL. DEV. = 3.6 DEGREES REMARK 500 ARG H 93 NE - CZ - NH1 ANGL. DEV. = 3.6 DEGREES REMARK 500 ARG H 97 NE - CZ - NH1 ANGL. DEV. = 3.7 DEGREES REMARK 500 ARG H 97 NE - CZ - NH2 ANGL. DEV. = -3.6 DEGREES REMARK 500 ASP H 100 CB - CG - OD2 ANGL. DEV. = -6.5 DEGREES REMARK 500 ASP H 102 CB - CG - OD1 ANGL. DEV. = 5.8 DEGREES REMARK 500 ASP H 102 CB - CG - OD2 ANGL. DEV. = -6.3 DEGREES REMARK 500 ASP H 116 CB - CG - OD1 ANGL. DEV. = 7.9 DEGREES REMARK 500 ASP H 116 CB - CG - OD2 ANGL. DEV. = -6.1 DEGREES REMARK 500 ARG H 137 NE - CZ - NH1 ANGL. DEV. = 4.2 DEGREES REMARK 500 ASP H 178 CB - CG - OD1 ANGL. DEV. = 5.9 DEGREES REMARK 500 ASP H 178 CB - CG - OD2 ANGL. DEV. = -6.0 DEGREES REMARK 500 ASP H 186A CB - CG - OD2 ANGL. DEV. = 5.6 DEGREES REMARK 500 ASP H 221 CB - CG - OD1 ANGL. DEV. = 6.9 DEGREES REMARK 500 ASP H 221 CB - CG - OD2 ANGL. DEV. = -7.9 DEGREES REMARK 500 ASP H 222 CB - CG - OD1 ANGL. DEV. = -5.5 DEGREES REMARK 500 ASP H 243 CB - CG - OD2 ANGL. DEV. = -5.7 DEGREES REMARK 500 ARG I 2 NE - CZ - NH1 ANGL. DEV. = 4.2 DEGREES REMARK 500 ASP I 16 CB - CG - OD1 ANGL. DEV. = 5.8 DEGREES REMARK 500 ASP I 16 CB - CG - OD2 ANGL. DEV. = -6.3 DEGREES REMARK 500 PRO I 21 C - N - CD ANGL. DEV. = -13.1 DEGREES REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: TORSION ANGLES REMARK 500 REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) REMARK 500 REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 REMARK 500 REMARK 500 M RES CSSEQI PSI PHI REMARK 500 PHE L 1G -154.70 177.11 REMARK 500 PHE L 7 -91.48 -130.58 REMARK 500 TYR L 14J 28.12 -74.04 REMARK 500 ILE L 14K -32.62 68.77 REMARK 500 ASP L 14L 92.21 178.68 REMARK 500 LEU H 41 -61.00 -99.72 REMARK 500 ALA H 44 -171.65 -174.55 REMARK 500 TYR H 60A 82.07 -164.50 REMARK 500 ASN H 60G 72.54 -153.60 REMARK 500 HIS H 71 -55.38 -133.26 REMARK 500 GLU H 77 83.53 -67.46 REMARK 500 ILE H 79 -51.70 -123.84 REMARK 500 GLU H 86 -62.69 -93.62 REMARK 500 ASN H 98 22.10 -140.66 REMARK 500 LEU H 130 69.62 -65.76 REMARK 500 SER H 214 -82.15 -103.47 REMARK 500 LYS H 240 -85.45 -52.76 REMARK 500 VAL H 241 -35.43 -34.59 REMARK 500 AIB I 22 -35.94 -35.68 REMARK 500 AIB I 23 -23.81 -33.06 REMARK 500 ALC I 25 68.58 -64.50 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: PLANAR GROUPS REMARK 500 REMARK 500 PLANAR GROUPS IN THE FOLLOWING RESIDUES HAVE A TOTAL REMARK 500 RMS DISTANCE OF ALL ATOMS FROM THE BEST-FIT PLANE REMARK 500 BY MORE THAN AN EXPECTED VALUE OF 6*RMSD, WITH AN REMARK 500 RMSD 0.02 ANGSTROMS, OR AT LEAST ONE ATOM HAS REMARK 500 AN RMSD GREATER THAN THIS VALUE REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 M RES CSSEQI RMS TYPE REMARK 500 ARG H 75 0.29 SIDE CHAIN REMARK 500 REMARK 500 REMARK: NULL REMARK 615 REMARK 615 ZERO OCCUPANCY ATOM REMARK 615 THE FOLLOWING RESIDUES HAVE ATOMS MODELED WITH ZERO REMARK 615 OCCUPANCY. THE LOCATION AND PROPERTIES OF THESE ATOMS REMARK 615 MAY NOT BE RELIABLE. (M=MODEL NUMBER; RES=RESIDUE NAME; REMARK 615 C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE): REMARK 615 M RES C SSEQI REMARK 615 NAG H 400 DBREF 4THN L 1 15 UNP P00734 THRB_HUMAN 328 363 DBREF 4THN H 16 247 UNP P00734 THRB_HUMAN 364 622 DBREF 4THN I 1 26 PDB 4THN 4THN 1 26 SEQRES 1 L 36 THR PHE GLY SER GLY GLU ALA ASP CYS GLY LEU ARG PRO SEQRES 2 L 36 LEU PHE GLU LYS LYS SER LEU GLU ASP LYS THR GLU ARG SEQRES 3 L 36 GLU LEU LEU GLU SER TYR ILE ASP GLY ARG SEQRES 1 H 259 ILE VAL GLU GLY SER ASP ALA GLU ILE GLY MET SER PRO SEQRES 2 H 259 TRP GLN VAL MET LEU PHE ARG LYS SER PRO GLN GLU LEU SEQRES 3 H 259 LEU CYS GLY ALA SER LEU ILE SER ASP ARG TRP VAL LEU SEQRES 4 H 259 THR ALA ALA HIS CYS LEU LEU TYR PRO PRO TRP ASP LYS SEQRES 5 H 259 ASN PHE THR GLU ASN ASP LEU LEU VAL ARG ILE GLY LYS SEQRES 6 H 259 HIS SER ARG THR ARG TYR GLU ARG ASN ILE GLU LYS ILE SEQRES 7 H 259 SER MET LEU GLU LYS ILE TYR ILE HIS PRO ARG TYR ASN SEQRES 8 H 259 TRP ARG GLU ASN LEU ASP ARG ASP ILE ALA LEU MET LYS SEQRES 9 H 259 LEU LYS LYS PRO VAL ALA PHE SER ASP TYR ILE HIS PRO SEQRES 10 H 259 VAL CYS LEU PRO ASP ARG GLU THR ALA ALA SER LEU LEU SEQRES 11 H 259 GLN ALA GLY TYR LYS GLY ARG VAL THR GLY TRP GLY ASN SEQRES 12 H 259 LEU LYS GLU THR TRP THR ALA ASN VAL GLY LYS GLY GLN SEQRES 13 H 259 PRO SER VAL LEU GLN VAL VAL ASN LEU PRO ILE VAL GLU SEQRES 14 H 259 ARG PRO VAL CYS LYS ASP SER THR ARG ILE ARG ILE THR SEQRES 15 H 259 ASP ASN MET PHE CYS ALA GLY TYR LYS PRO ASP GLU GLY SEQRES 16 H 259 LYS ARG GLY ASP ALA CYS GLU GLY ASP SER GLY GLY PRO SEQRES 17 H 259 PHE VAL MET LYS SER PRO PHE ASN ASN ARG TRP TYR GLN SEQRES 18 H 259 MET GLY ILE VAL SER TRP GLY GLU GLY CYS ASP ARG ASP SEQRES 19 H 259 GLY LYS TYR GLY PHE TYR THR HIS VAL PHE ARG LEU LYS SEQRES 20 H 259 LYS TRP ILE GLN LYS VAL ILE ASP GLN PHE GLY GLU SEQRES 1 I 26 CHG ARG NAL THR ASP DAL GLY BAL PRO GLU SER HIS HMF SEQRES 2 I 26 GLY GLY ASP TYR GLU GLU ILE PRO AIB AIB TYR ALC DGL MODRES 4THN ASN H 60G ASN GLYCOSYLATION SITE MODRES 4THN NAL I 3 ALA BETA-(2-NAPHTHYL)-ALANINE MODRES 4THN AIB I 22 ALA ALPHA-AMINOISOBUTYRIC ACID MODRES 4THN AIB I 23 ALA ALPHA-AMINOISOBUTYRIC ACID MODRES 4THN ALC I 25 ALA 2-AMINO-3-CYCLOHEXYL-PROPIONIC ACID HET CHG I 1 10 HET NAL I 3 15 HET AIB I 22 6 HET AIB I 23 6 HET ALC I 25 11 HET DGL I 26 10 HET NAG H 400 14 HETNAM CHG CYCLOHEXYL-GLYCINE HETNAM NAL BETA-(2-NAPHTHYL)-ALANINE HETNAM AIB ALPHA-AMINOISOBUTYRIC ACID HETNAM ALC 2-AMINO-3-CYCLOHEXYL-PROPIONIC ACID HETNAM DGL D-GLUTAMIC ACID HETNAM NAG 2-ACETAMIDO-2-DEOXY-BETA-D-GLUCOPYRANOSE FORMUL 3 CHG C8 H15 N O2 FORMUL 3 NAL C13 H13 N O2 FORMUL 3 AIB 2(C4 H9 N O2) FORMUL 3 ALC C9 H17 N O2 FORMUL 3 DGL C5 H9 N O4 FORMUL 4 NAG C8 H15 N O6 FORMUL 5 HOH *78(H2 O) HELIX 1 1 GLU L 8 LYS L 10 5 3 HELIX 2 2 GLU L 14C SER L 14I 1 7 HELIX 3 3 ALA H 56 LEU H 59 1 4 HELIX 4 4 PRO H 60B TRP H 60D 5 3 HELIX 5 5 GLU H 61 ASP H 63 5 3 HELIX 6 6 ARG H 126 LEU H 129C 1 7 HELIX 7 7 ARG H 165 SER H 171 1 7 HELIX 8 8 PRO H 186 GLU H 186B 5 3 HELIX 9 9 PHE H 232 PHE H 245 5 14 SHEET 1 A 4 LYS H 81 SER H 83 0 SHEET 2 A 4 LEU H 64 ILE H 68 -1 N ILE H 68 O LYS H 81 SHEET 3 A 4 GLN H 30 ARG H 35 -1 N PHE H 34 O LEU H 65 SHEET 4 A 4 GLU H 39 SER H 45 -1 N ALA H 44 O VAL H 31 SHEET 1 B 3 TRP H 51 THR H 54 0 SHEET 2 B 3 ALA H 104 LEU H 108 -1 N MET H 106 O VAL H 52 SHEET 3 B 3 LEU H 85 ILE H 90 -1 N TYR H 89 O LEU H 105 SHEET 1 C 2 LYS H 135 GLY H 140 0 SHEET 2 C 2 GLN H 156 PRO H 161 -1 N LEU H 160 O GLY H 136 SHEET 1 D 4 MET H 180 ALA H 183 0 SHEET 2 D 4 GLY H 226 HIS H 230 -1 N TYR H 228 O PHE H 181 SHEET 3 D 4 TRP H 207 TRP H 215 -1 N TRP H 215 O PHE H 227 SHEET 4 D 4 PRO H 198 LYS H 202 -1 N MET H 201 O TYR H 208 SSBOND 1 CYS L 1 CYS H 122 1555 1555 2.00 SSBOND 2 CYS H 42 CYS H 58 1555 1555 2.03 SSBOND 3 CYS H 168 CYS H 182 1555 1555 2.08 SSBOND 4 CYS H 191 CYS H 220 1555 1555 2.06 LINK ND2 ASN H 60G C1 NAG H 400 1555 1555 1.58 LINK C CHG I 1 N ARG I 2 1555 1555 1.31 LINK C ARG I 2 N NAL I 3 1555 1555 1.32 LINK C PRO I 21 N AIB I 22 1555 1555 1.34 LINK C AIB I 22 N AIB I 23 1555 1555 1.33 LINK C AIB I 23 N TYR I 24 1555 1555 1.33 LINK C TYR I 24 N ALC I 25 1555 1555 1.33 LINK C ALC I 25 N DGL I 26 1555 1555 1.33 CISPEP 1 SER H 36A PRO H 37 0 1.88 CRYST1 72.300 72.700 73.600 90.00 100.00 90.00 C 1 2 1 4 ORIGX1 1.000000 0.000000 0.000000 0.00000 ORIGX2 0.000000 1.000000 0.000000 0.00000 ORIGX3 0.000000 0.000000 1.000000 0.00000 SCALE1 0.013831 0.000000 0.002439 0.00000 SCALE2 0.000000 0.013755 0.000000 0.00000 SCALE3 0.000000 0.000000 0.013797 0.00000 ATOM 1 N THR L 1H 18.859 13.578 19.115 0.00 75.18 N ATOM 2 CA THR L 1H 20.261 13.566 18.748 0.00 74.83 C ATOM 3 C THR L 1H 21.171 13.604 19.966 0.00 77.61 C ATOM 4 O THR L 1H 22.387 13.694 19.846 0.00 77.23 O ATOM 5 CB THR L 1H 20.611 14.707 17.770 0.00 83.58 C ATOM 6 OG1 THR L 1H 21.952 14.580 17.341 0.00 83.31 O ATOM 7 CG2 THR L 1H 20.404 16.056 18.444 0.00 82.33 C ATOM 8 N PHE L 1G 20.562 13.500 21.145 0.00 73.02 N ATOM 9 CA PHE L 1G 21.306 13.540 22.390 0.00 72.22 C ATOM 10 C PHE L 1G 20.384 13.473 23.596 0.00 77.12 C ATOM 11 O PHE L 1G 19.273 12.950 23.516 0.00 76.66 O ATOM 12 CB PHE L 1G 22.219 14.776 22.483 0.00 73.30 C ATOM 13 CG PHE L 1G 21.459 16.084 22.518 0.00 73.94 C ATOM 14 CD1 PHE L 1G 20.688 16.490 21.429 0.00 76.34 C ATOM 15 CD2 PHE L 1G 21.525 16.921 23.632 0.00 75.34 C ATOM 16 CE1 PHE L 1G 19.989 17.697 21.446 0.00 76.92 C ATOM 17 CE2 PHE L 1G 20.833 18.133 23.670 0.00 77.79 C ATOM 18 CZ PHE L 1G 20.065 18.517 22.572 0.00 75.78 C ATOM 19 N GLY L 1F 20.866 14.012 24.714 0.00 74.48 N ATOM 20 CA GLY L 1F 20.091 14.040 25.937 0.00 74.54 C ATOM 21 C GLY L 1F 18.695 14.557 25.654 0.00 78.49 C ATOM 22 O GLY L 1F 18.516 15.474 24.857 0.00 78.30 O ATOM 23 N SER L 1E 17.700 13.953 26.292 0.00 74.13 N ATOM 24 CA SER L 1E 16.335 14.372 26.053 0.00 73.02 C ATOM 25 C SER L 1E 15.999 14.233 24.578 0.00 72.62 C ATOM 26 O SER L 1E 15.277 15.045 24.012 0.00 72.39 O ATOM 27 CB SER L 1E 16.071 15.781 26.548 0.01 77.01 C ATOM 28 OG SER L 1E 14.693 16.078 26.444 0.01 85.67 O ATOM 29 N GLY L 1D 16.567 13.198 23.966 0.00 64.90 N ATOM 30 CA GLY L 1D 16.356 12.882 22.565 0.00 62.42 C ATOM 31 C GLY L 1D 16.578 14.035 21.600 0.00 60.24 C ATOM 32 O GLY L 1D 17.663 14.196 21.043 0.00 59.66 O ATOM 33 N GLU L 1C 15.524 14.824 21.386 0.00 52.44 N ATOM 34 CA GLU L 1C 15.567 15.928 20.445 0.00 50.43 C ATOM 35 C GLU L 1C 14.868 17.195 20.934 0.00 53.94 C ATOM 36 O GLU L 1C 14.416 17.271 22.074 0.00 52.87 O ATOM 37 CB GLU L 1C 14.983 15.481 19.093 0.00 51.41 C ATOM 38 CG GLU L 1C 15.901 15.788 17.902 0.00 60.70 C ATOM 39 CD GLU L 1C 16.121 17.257 17.721 0.00 78.29 C ATOM 40 OE1 GLU L 1C 16.827 17.920 18.457 0.00 71.74 O ATOM 41 OE2 GLU L 1C 15.446 17.752 16.714 0.00 71.48 O ATOM 42 N ALA L 1B 14.803 18.200 20.051 1.00 51.65 N ATOM 43 CA ALA L 1B 14.163 19.507 20.339 1.00 62.40 C ATOM 44 C ALA L 1B 12.642 19.513 20.385 1.00 75.77 C ATOM 45 O ALA L 1B 12.005 20.119 21.244 1.00 71.83 O ATOM 46 CB ALA L 1B 14.545 20.592 19.343 1.00 63.66 C ATOM 47 N ASP L 1A 12.074 18.893 19.371 1.00 77.43 N ATOM 48 CA ASP L 1A 10.649 18.717 19.205 1.00 70.83 C ATOM 49 C ASP L 1A 10.360 17.247 19.498 1.00 58.39 C ATOM 50 O ASP L 1A 9.304 16.677 19.224 1.00 51.08 O ATOM 51 CB ASP L 1A 10.368 18.974 17.725 1.00 74.73 C ATOM 52 CG ASP L 1A 8.997 19.476 17.463 1.00 85.91 C ATOM 53 OD1 ASP L 1A 8.264 19.870 18.342 1.00 85.15 O ATOM 54 OD2 ASP L 1A 8.708 19.471 16.181 1.00100.00 O ATOM 55 N CYS L 1 11.402 16.594 19.996 1.00 49.51 N ATOM 56 CA CYS L 1 11.374 15.177 20.281 1.00 43.71 C ATOM 57 C CYS L 1 10.223 14.764 21.163 1.00 44.23 C ATOM 58 O CYS L 1 9.842 15.479 22.083 1.00 44.74 O ATOM 59 CB CYS L 1 12.727 14.679 20.881 1.00 39.29 C ATOM 60 SG CYS L 1 12.998 14.971 22.664 1.00 37.98 S ATOM 61 N GLY L 2 9.713 13.566 20.903 1.00 31.58 N ATOM 62 CA GLY L 2 8.695 13.012 21.781 1.00 28.31 C ATOM 63 C GLY L 2 7.244 13.429 21.624 1.00 39.26 C ATOM 64 O GLY L 2 6.404 12.686 22.159 1.00 46.21 O ATOM 65 N LEU L 3 6.945 14.531 20.903 1.00 41.00 N ATOM 66 CA LEU L 3 5.564 14.974 20.641 1.00 35.02 C ATOM 67 C LEU L 3 5.074 14.528 19.270 1.00 33.95 C ATOM 68 O LEU L 3 5.591 14.988 18.279 1.00 37.81 O ATOM 69 CB LEU L 3 5.350 16.497 20.818 1.00 30.44 C ATOM 70 CG LEU L 3 6.042 16.923 22.099 1.00 25.29 C ATOM 71 CD1 LEU L 3 6.498 18.342 21.987 1.00 25.14 C ATOM 72 CD2 LEU L 3 5.112 16.750 23.250 1.00 18.03 C ATOM 73 N ARG L 4 4.065 13.644 19.246 1.00 41.49 N ATOM 74 CA ARG L 4 3.503 13.055 18.047 1.00 37.91 C ATOM 75 C ARG L 4 2.561 13.981 17.272 1.00 48.41 C ATOM 76 O ARG L 4 1.565 14.527 17.775 1.00 48.03 O ATOM 77 CB ARG L 4 2.816 11.724 18.356 1.00 36.31 C ATOM 78 CG ARG L 4 3.679 10.697 19.062 1.00 31.60 C ATOM 79 CD ARG L 4 2.823 9.530 19.541 1.00 28.39 C ATOM 80 NE ARG L 4 1.905 9.890 20.646 1.00 37.24 N ATOM 81 CZ ARG L 4 0.950 9.068 21.114 1.00 47.10 C ATOM 82 NH1 ARG L 4 0.748 7.844 20.591 1.00 19.34 N ATOM 83 NH2 ARG L 4 0.188 9.448 22.147 1.00 36.40 N ATOM 84 N PRO L 5 2.853 14.090 15.981 1.00 43.10 N ATOM 85 CA PRO L 5 2.095 14.944 15.105 1.00 41.05 C ATOM 86 C PRO L 5 0.606 14.686 15.059 1.00 55.79 C ATOM 87 O PRO L 5 -0.172 15.619 14.861 1.00 62.20 O ATOM 88 CB PRO L 5 2.718 14.807 13.713 1.00 34.95 C ATOM 89 CG PRO L 5 4.057 14.111 13.889 1.00 32.26 C ATOM 90 CD PRO L 5 4.074 13.562 15.289 1.00 33.58 C ATOM 91 N LEU L 6 0.234 13.413 15.184 1.00 52.74 N ATOM 92 CA LEU L 6 -1.157 13.001 15.104 1.00 43.36 C ATOM 93 C LEU L 6 -1.869 12.916 16.439 1.00 38.23 C ATOM 94 O LEU L 6 -3.042 12.653 16.430 1.00 37.68 O ATOM 95 CB LEU L 6 -1.337 11.730 14.272 1.00 37.03 C ATOM 96 CG LEU L 6 -1.819 11.987 12.832 1.00 38.43 C ATOM 97 CD1 LEU L 6 -1.648 13.436 12.399 1.00 28.39 C ATOM 98 CD2 LEU L 6 -1.118 11.062 11.848 1.00 28.53 C ATOM 99 N PHE L 7 -1.144 13.177 17.547 1.00 38.62 N ATOM 100 CA PHE L 7 -1.646 13.183 18.923 1.00 33.53 C ATOM 101 C PHE L 7 -1.259 14.440 19.721 1.00 40.98 C ATOM 102 O PHE L 7 -1.945 15.464 19.713 1.00 41.63 O ATOM 103 CB PHE L 7 -1.199 11.926 19.659 1.00 36.10 C ATOM 104 CG PHE L 7 -1.694 10.734 18.919 1.00 36.77 C ATOM 105 CD1 PHE L 7 -0.930 10.176 17.891 1.00 36.75 C ATOM 106 CD2 PHE L 7 -2.954 10.210 19.199 1.00 40.66 C ATOM 107 CE1 PHE L 7 -1.394 9.089 17.150 1.00 35.90 C ATOM 108 CE2 PHE L 7 -3.434 9.124 18.468 1.00 40.53 C ATOM 109 CZ PHE L 7 -2.656 8.573 17.444 1.00 34.46 C ATOM 110 N GLU L 8 -0.134 14.378 20.417 1.00 36.51 N ATOM 111 CA GLU L 8 0.325 15.501 21.216 1.00 27.91 C ATOM 112 C GLU L 8 0.127 16.832 20.525 1.00 37.74 C ATOM 113 O GLU L 8 -0.435 17.770 21.025 1.00 48.51 O ATOM 114 CB GLU L 8 1.795 15.358 21.658 1.00 27.69 C ATOM 115 CG GLU L 8 1.971 14.278 22.737 1.00 30.21 C ATOM 116 CD GLU L 8 1.927 12.896 22.141 1.00 62.76 C ATOM 117 OE1 GLU L 8 2.210 12.668 20.969 1.00 30.39 O ATOM 118 OE2 GLU L 8 1.481 12.002 22.979 1.00 26.46 O ATOM 119 N LYS L 9 0.563 16.914 19.307 1.00 46.39 N ATOM 120 CA LYS L 9 0.433 18.166 18.605 1.00 43.72 C ATOM 121 C LYS L 9 -0.991 18.585 18.301 1.00 44.68 C ATOM 122 O LYS L 9 -1.249 19.730 17.968 1.00 47.69 O ATOM 123 CB LYS L 9 1.336 18.134 17.379 1.00 44.70 C ATOM 124 CG LYS L 9 2.740 18.635 17.741 1.00 99.80 C ATOM 125 CD LYS L 9 3.902 17.912 17.065 1.00 92.07 C ATOM 126 CE LYS L 9 5.271 18.499 17.433 1.00 89.20 C ATOM 127 NZ LYS L 9 5.257 19.960 17.743 1.00 83.91 N ATOM 128 N LYS L 10 -1.917 17.642 18.385 1.00 36.65 N ATOM 129 CA LYS L 10 -3.282 17.955 18.039 1.00 34.30 C ATOM 130 C LYS L 10 -4.089 17.845 19.299 1.00 39.31 C ATOM 131 O LYS L 10 -5.329 17.842 19.302 1.00 47.39 O ATOM 132 CB LYS L 10 -3.812 16.846 17.127 1.00 48.77 C ATOM 133 CG LYS L 10 -3.745 17.070 15.627 1.00 35.36 C ATOM 134 CD LYS L 10 -4.119 15.806 14.864 1.00 61.97 C ATOM 135 CE LYS L 10 -4.923 16.066 13.586 1.00 49.99 C ATOM 136 NZ LYS L 10 -4.144 15.715 12.369 1.00 74.20 N ATOM 137 N SER L 11 -3.372 17.626 20.373 1.00 35.67 N ATOM 138 CA SER L 11 -4.068 17.372 21.616 1.00 35.87 C ATOM 139 C SER L 11 -4.999 16.160 21.536 1.00 47.93 C ATOM 140 O SER L 11 -6.071 16.164 22.123 1.00 46.82 O ATOM 141 CB SER L 11 -4.776 18.564 22.215 1.00 38.45 C ATOM 142 OG SER L 11 -4.854 18.370 23.620 1.00 50.46 O ATOM 143 N LEU L 12 -4.589 15.105 20.810 1.00 46.89 N ATOM 144 CA LEU L 12 -5.364 13.857 20.740 1.00 43.56 C ATOM 145 C LEU L 12 -4.709 12.739 21.562 1.00 37.83 C ATOM 146 O LEU L 12 -3.493 12.651 21.649 1.00 50.46 O ATOM 147 CB LEU L 12 -5.682 13.365 19.318 1.00 42.83 C ATOM 148 CG LEU L 12 -6.405 14.373 18.437 1.00 50.33 C ATOM 149 CD1 LEU L 12 -6.761 13.693 17.123 1.00 48.14 C ATOM 150 CD2 LEU L 12 -7.686 14.813 19.107 1.00 52.58 C ATOM 151 N GLU L 13 -5.499 11.914 22.240 1.00 38.29 N ATOM 152 CA GLU L 13 -4.965 10.841 23.072 1.00 36.38 C ATOM 153 C GLU L 13 -5.086 9.539 22.320 1.00 45.54 C ATOM 154 O GLU L 13 -6.079 9.298 21.688 1.00 49.58 O ATOM 155 CB GLU L 13 -5.785 10.618 24.340 1.00 36.58 C ATOM 156 CG GLU L 13 -5.374 11.436 25.575 1.00 64.00 C ATOM 157 CD GLU L 13 -5.968 10.942 26.853 0.00 83.30 C ATOM 158 OE1 GLU L 13 -6.955 10.231 26.904 0.00 77.68 O ATOM 159 OE2 GLU L 13 -5.305 11.346 27.906 0.00 77.42 O ATOM 160 N ASP L 14 -4.071 8.695 22.386 1.00 38.68 N ATOM 161 CA ASP L 14 -4.200 7.411 21.743 1.00 27.84 C ATOM 162 C ASP L 14 -5.015 6.533 22.655 1.00 36.88 C ATOM 163 O ASP L 14 -5.346 6.892 23.794 1.00 32.56 O ATOM 164 CB ASP L 14 -2.902 6.714 21.276 1.00 25.65 C ATOM 165 CG ASP L 14 -2.120 6.074 22.383 1.00 38.49 C ATOM 166 OD1 ASP L 14 -2.630 5.471 23.311 1.00 39.65 O ATOM 167 OD2 ASP L 14 -0.853 6.306 22.291 1.00 24.23 O ATOM 168 N LYS L 14A -5.353 5.384 22.111 1.00 49.77 N ATOM 169 CA LYS L 14A -6.230 4.445 22.770 1.00 49.05 C ATOM 170 C LYS L 14A -5.718 3.779 24.023 1.00 49.60 C ATOM 171 O LYS L 14A -6.522 3.186 24.700 1.00 57.94 O ATOM 172 CB LYS L 14A -6.872 3.459 21.813 0.00 50.03 C ATOM 173 CG LYS L 14A -6.233 2.085 21.858 0.00 48.22 C ATOM 174 CD LYS L 14A -7.039 1.049 21.096 0.00 48.30 C ATOM 175 CE LYS L 14A -7.160 -0.268 21.843 0.00 49.27 C ATOM 176 NZ LYS L 14A -8.053 -1.225 21.171 0.00 54.93 N ATOM 177 N THR L 14B -4.427 3.859 24.355 1.00 44.88 N ATOM 178 CA THR L 14B -3.963 3.144 25.555 1.00 46.13 C ATOM 179 C THR L 14B -3.033 3.894 26.521 1.00 54.77 C ATOM 180 O THR L 14B -2.610 3.331 27.567 1.00 49.09 O ATOM 181 CB THR L 14B -3.400 1.719 25.251 1.00 36.07 C ATOM 182 OG1 THR L 14B -2.516 1.743 24.141 1.00 55.01 O ATOM 183 CG2 THR L 14B -4.542 0.769 24.918 1.00 33.16 C ATOM 184 N GLU L 14C -2.698 5.149 26.205 1.00 36.64 N ATOM 185 CA GLU L 14C -1.831 5.880 27.099 1.00 32.81 C ATOM 186 C GLU L 14C -2.383 6.073 28.524 1.00 41.74 C ATOM 187 O GLU L 14C -1.605 6.143 29.456 1.00 48.62 O ATOM 188 CB GLU L 14C -1.212 7.134 26.447 1.00 32.86 C ATOM 189 CG GLU L 14C -2.196 7.774 25.493 1.00 40.70 C ATOM 190 CD GLU L 14C -1.839 9.167 25.233 1.00 27.74 C ATOM 191 OE1 GLU L 14C -1.285 9.832 26.078 1.00 57.71 O ATOM 192 OE2 GLU L 14C -1.967 9.500 23.951 1.00 29.71 O ATOM 193 N ARG L 14D -3.711 6.119 28.748 1.00 41.61 N ATOM 194 CA ARG L 14D -4.174 6.213 30.129 1.00 35.31 C ATOM 195 C ARG L 14D -3.525 5.115 30.997 1.00 39.55 C ATOM 196 O ARG L 14D -2.962 5.388 32.065 1.00 42.05 O ATOM 197 CB ARG L 14D -5.688 6.288 30.269 0.00 35.08 C ATOM 198 CG ARG L 14D -6.115 7.472 31.131 0.00 43.75 C ATOM 199 CD ARG L 14D -7.607 7.777 31.062 0.00 50.79 C ATOM 200 NE ARG L 14D -8.005 8.824 32.002 0.00 56.54 N ATOM 201 CZ ARG L 14D -9.261 9.212 32.202 0.00 68.94 C ATOM 202 NH1 ARG L 14D -10.280 8.668 31.544 0.00 55.93 N ATOM 203 NH2 ARG L 14D -9.504 10.175 33.087 0.00 55.34 N ATOM 204 N GLU L 14E -3.518 3.869 30.488 1.00 33.67 N ATOM 205 CA GLU L 14E -2.923 2.691 31.143 1.00 39.19 C ATOM 206 C GLU L 14E -1.589 3.026 31.783 1.00 44.26 C ATOM 207 O GLU L 14E -1.298 2.682 32.911 1.00 48.28 O ATOM 208 CB GLU L 14E -2.597 1.557 30.135 1.00 41.23 C ATOM 209 CG GLU L 14E -3.416 0.241 30.206 1.00 53.36 C ATOM 210 CD GLU L 14E -2.624 -0.970 29.673 1.00 92.58 C ATOM 211 OE1 GLU L 14E -2.407 -1.173 28.496 1.00 68.74 O ATOM 212 OE2 GLU L 14E -2.101 -1.743 30.600 1.00 45.05 O ATOM 213 N LEU L 14F -0.757 3.680 30.993 1.00 41.78 N ATOM 214 CA LEU L 14F 0.580 4.085 31.387 1.00 35.41 C ATOM 215 C LEU L 14F 0.501 5.084 32.506 1.00 35.59 C ATOM 216 O LEU L 14F 0.913 4.810 33.619 1.00 40.14 O ATOM 217 CB LEU L 14F 1.367 4.687 30.191 1.00 35.58 C ATOM 218 CG LEU L 14F 2.229 3.666 29.367 1.00 47.34 C ATOM 219 CD1 LEU L 14F 1.839 2.203 29.589 1.00 48.40 C ATOM 220 CD2 LEU L 14F 2.182 3.954 27.877 1.00 42.54 C ATOM 221 N LEU L 14G -0.115 6.214 32.185 1.00 31.93 N ATOM 222 CA LEU L 14G -0.262 7.334 33.079 1.00 31.21 C ATOM 223 C LEU L 14G -0.715 6.922 34.449 1.00 38.34 C ATOM 224 O LEU L 14G -0.262 7.416 35.488 1.00 47.02 O ATOM 225 CB LEU L 14G -1.130 8.388 32.442 1.00 34.51 C ATOM 226 CG LEU L 14G -0.338 9.089 31.331 1.00 48.09 C ATOM 227 CD1 LEU L 14G 1.025 9.539 31.820 1.00 47.96 C ATOM 228 CD2 LEU L 14G -0.058 8.141 30.194 1.00 57.30 C ATOM 229 N GLU L 14H -1.566 5.931 34.436 1.00 33.56 N ATOM 230 CA GLU L 14H -2.107 5.440 35.682 1.00 34.66 C ATOM 231 C GLU L 14H -1.131 4.600 36.477 1.00 50.41 C ATOM 232 O GLU L 14H -1.270 4.488 37.673 1.00 62.08 O ATOM 233 CB GLU L 14H -3.386 4.632 35.389 1.00 31.91 C ATOM 234 CG GLU L 14H -4.231 5.321 34.289 1.00 51.01 C ATOM 235 CD GLU L 14H -5.726 5.068 34.347 1.00 80.00 C ATOM 236 OE1 GLU L 14H -6.233 3.931 34.293 1.00 46.79 O ATOM 237 OE2 GLU L 14H -6.412 6.222 34.352 1.00 59.91 O ATOM 238 N SER L 14I -0.196 3.946 35.794 1.00 45.25 N ATOM 239 CA SER L 14I 0.757 3.071 36.457 1.00 40.05 C ATOM 240 C SER L 14I 1.720 3.874 37.291 1.00 43.42 C ATOM 241 O SER L 14I 2.273 3.375 38.245 1.00 48.63 O ATOM 242 CB SER L 14I 1.535 2.207 35.484 1.00 38.70 C ATOM 243 OG SER L 14I 2.459 3.036 34.790 1.00 36.08 O ATOM 244 N TYR L 14J 1.908 5.132 36.900 1.00 45.86 N ATOM 245 CA TYR L 14J 2.826 5.994 37.606 1.00 42.79 C ATOM 246 C TYR L 14J 2.185 6.393 38.918 1.00 57.01 C ATOM 247 O TYR L 14J 2.427 7.460 39.429 1.00 70.93 O ATOM 248 CB TYR L 14J 3.255 7.210 36.721 1.00 35.13 C ATOM 249 CG TYR L 14J 3.707 6.894 35.294 1.00 31.79 C ATOM 250 CD1 TYR L 14J 4.336 5.686 34.992 1.00 37.88 C ATOM 251 CD2 TYR L 14J 3.569 7.821 34.253 1.00 32.52 C ATOM 252 CE1 TYR L 14J 4.782 5.373 33.701 1.00 41.45 C ATOM 253 CE2 TYR L 14J 4.016 7.532 32.955 1.00 31.26 C ATOM 254 CZ TYR L 14J 4.611 6.302 32.671 1.00 43.99 C ATOM 255 OH TYR L 14J 5.055 5.977 31.394 1.00 56.95 O ATOM 256 N ILE L 14K 1.321 5.509 39.408 0.00 58.28 N ATOM 257 CA ILE L 14K 0.505 5.730 40.586 0.00 60.19 C ATOM 258 C ILE L 14K -0.535 6.797 40.288 0.00 67.27 C ATOM 259 O ILE L 14K -1.665 6.747 40.768 0.00 67.41 O ATOM 260 CB ILE L 14K 1.226 5.888 41.928 0.00 63.67 C ATOM 261 CG1 ILE L 14K 2.396 6.858 41.851 0.00 64.22 C ATOM 262 CG2 ILE L 14K 1.705 4.529 42.424 0.00 64.50 C ATOM 263 CD1 ILE L 14K 2.337 7.954 42.908 0.00 71.61 C ATOM 264 N ASP L 14L -0.132 7.733 39.431 0.00 64.45 N ATOM 265 CA ASP L 14L -0.993 8.794 38.949 0.00 64.13 C ATOM 266 C ASP L 14L -0.374 9.802 37.998 0.00 66.45 C ATOM 267 O ASP L 14L 0.202 10.812 38.402 0.00 65.96 O ATOM 268 CB ASP L 14L -2.095 9.328 39.872 0.00 65.99 C ATOM 269 CG ASP L 14L -3.401 9.431 39.134 0.00 74.88 C ATOM 270 OD1 ASP L 14L -3.498 9.909 38.017 0.00 75.19 O ATOM 271 OD2 ASP L 14L -4.400 8.894 39.786 0.00 80.58 O ATOM 272 N GLY L 14M -0.519 9.491 36.713 0.00 61.87 N ATOM 273 CA GLY L 14M -0.007 10.323 35.645 0.00 61.23 C ATOM 274 C GLY L 14M -0.767 11.633 35.543 0.00 64.18 C ATOM 275 O GLY L 14M -1.952 11.709 35.861 0.00 63.64 O ATOM 276 N ARG L 15 -0.054 12.661 35.095 0.00 60.35 N ATOM 277 CA ARG L 15 -0.597 13.995 34.933 0.00 61.93 C ATOM 278 C ARG L 15 0.509 15.016 34.728 0.00 72.68 C ATOM 279 O ARG L 15 0.267 16.008 34.007 0.00 73.98 O ATOM 280 CB ARG L 15 -1.503 14.401 36.092 0.00 61.45 C ATOM 281 CG ARG L 15 -2.985 14.281 35.756 0.00 67.95 C ATOM 282 CD ARG L 15 -3.838 13.863 36.947 0.00 71.11 C ATOM 283 NE ARG L 15 -5.075 13.196 36.552 0.00 72.68 N ATOM 284 CZ ARG L 15 -5.821 12.463 37.372 0.00 82.18 C ATOM 285 NH1 ARG L 15 -5.490 12.276 38.647 0.00 68.45 N ATOM 286 NH2 ARG L 15 -6.930 11.900 36.905 0.00 67.86 N ATOM 287 OXT ARG L 15 1.610 14.807 35.281 0.00 93.22 O TER 288 ARG L 15 ATOM 289 N ILE H 16 5.045 -9.449 18.610 1.00 33.81 N ATOM 290 CA ILE H 16 4.353 -9.136 19.847 1.00 34.79 C ATOM 291 C ILE H 16 3.262 -10.178 20.100 1.00 44.96 C ATOM 292 O ILE H 16 2.461 -10.474 19.201 1.00 35.33 O ATOM 293 CB ILE H 16 3.724 -7.694 19.830 1.00 39.32 C ATOM 294 CG1 ILE H 16 4.713 -6.516 19.543 1.00 40.92 C ATOM 295 CG2 ILE H 16 2.840 -7.428 21.052 1.00 22.83 C ATOM 296 CD1 ILE H 16 5.862 -6.353 20.536 1.00 27.99 C ATOM 297 N VAL H 17 3.254 -10.689 21.342 1.00 41.63 N ATOM 298 CA VAL H 17 2.346 -11.685 21.895 1.00 38.26 C ATOM 299 C VAL H 17 1.335 -11.002 22.806 1.00 45.27 C ATOM 300 O VAL H 17 1.714 -10.310 23.751 1.00 37.69 O ATOM 301 CB VAL H 17 3.148 -12.748 22.687 1.00 40.71 C ATOM 302 CG1 VAL H 17 2.212 -13.724 23.357 1.00 41.73 C ATOM 303 CG2 VAL H 17 4.058 -13.521 21.764 1.00 38.23 C ATOM 304 N GLU H 18 0.044 -11.179 22.509 1.00 46.44 N ATOM 305 CA GLU H 18 -1.055 -10.549 23.256 1.00 37.81 C ATOM 306 C GLU H 18 -1.154 -9.029 23.098 1.00 46.94 C ATOM 307 O GLU H 18 -1.545 -8.317 24.021 1.00 50.32 O ATOM 308 CB GLU H 18 -1.140 -10.941 24.746 1.00 33.94 C ATOM 309 CG GLU H 18 -1.339 -12.468 25.020 1.00 60.73 C ATOM 310 CD GLU H 18 -2.611 -13.137 24.465 1.00 96.73 C ATOM 311 OE1 GLU H 18 -3.722 -12.607 24.515 1.00 71.43 O ATOM 312 OE2 GLU H 18 -2.391 -14.393 23.999 1.00 69.83 O ATOM 313 N GLY H 19 -0.777 -8.504 21.944 1.00 43.44 N ATOM 314 CA GLY H 19 -0.857 -7.083 21.740 1.00 44.61 C ATOM 315 C GLY H 19 -2.061 -6.729 20.891 1.00 63.14 C ATOM 316 O GLY H 19 -3.012 -7.478 20.753 1.00 77.85 O ATOM 317 N SER H 20 -2.023 -5.559 20.302 1.00 55.08 N ATOM 318 CA SER H 20 -3.114 -5.177 19.451 1.00 53.56 C ATOM 319 C SER H 20 -2.525 -4.391 18.335 1.00 36.09 C ATOM 320 O SER H 20 -1.324 -4.179 18.353 1.00 37.04 O ATOM 321 CB SER H 20 -4.225 -4.406 20.144 1.00 60.19 C ATOM 322 OG SER H 20 -3.666 -3.349 20.873 1.00 65.25 O ATOM 323 N ASP H 21 -3.401 -4.028 17.411 1.00 35.27 N ATOM 324 CA ASP H 21 -3.081 -3.256 16.232 1.00 42.43 C ATOM 325 C ASP H 21 -2.791 -1.810 16.583 1.00 52.63 C ATOM 326 O ASP H 21 -3.625 -1.139 17.167 1.00 62.14 O ATOM 327 CB ASP H 21 -4.285 -3.250 15.264 1.00 51.94 C ATOM 328 CG ASP H 21 -4.411 -4.411 14.315 1.00 62.83 C ATOM 329 OD1 ASP H 21 -3.834 -5.464 14.453 1.00 66.23 O ATOM 330 OD2 ASP H 21 -5.267 -4.168 13.355 1.00 76.83 O ATOM 331 N ALA H 22 -1.633 -1.320 16.171 1.00 50.15 N ATOM 332 CA ALA H 22 -1.259 0.055 16.414 1.00 47.67 C ATOM 333 C ALA H 22 -2.008 1.011 15.497 1.00 46.62 C ATOM 334 O ALA H 22 -2.109 0.742 14.315 1.00 54.66 O ATOM 335 CB ALA H 22 0.215 0.198 16.115 1.00 47.54 C ATOM 336 N GLU H 23 -2.480 2.136 16.042 1.00 36.81 N ATOM 337 CA GLU H 23 -3.139 3.187 15.272 1.00 32.94 C ATOM 338 C GLU H 23 -2.153 3.918 14.362 1.00 39.12 C ATOM 339 O GLU H 23 -0.956 4.004 14.630 1.00 40.13 O ATOM 340 CB GLU H 23 -3.759 4.253 16.174 1.00 31.08 C ATOM 341 CG GLU H 23 -4.356 3.725 17.505 1.00 44.74 C ATOM 342 CD GLU H 23 -4.999 4.827 18.337 1.00 57.61 C ATOM 343 OE1 GLU H 23 -5.796 5.608 17.871 1.00 37.53 O ATOM 344 OE2 GLU H 23 -4.578 4.885 19.587 1.00 63.17 O ATOM 345 N ILE H 24 -2.659 4.470 13.282 1.00 29.43 N ATOM 346 CA ILE H 24 -1.764 5.149 12.385 1.00 30.05 C ATOM 347 C ILE H 24 -1.066 6.327 13.089 1.00 37.79 C ATOM 348 O ILE H 24 -1.677 7.142 13.764 1.00 42.12 O ATOM 349 CB ILE H 24 -2.584 5.656 11.203 1.00 31.46 C ATOM 350 CG1 ILE H 24 -3.202 4.520 10.409 1.00 26.56 C ATOM 351 CG2 ILE H 24 -1.751 6.573 10.326 1.00 22.34 C ATOM 352 CD1 ILE H 24 -2.126 3.780 9.666 1.00 37.88 C ATOM 353 N GLY H 25 0.244 6.445 12.947 1.00 40.54 N ATOM 354 CA GLY H 25 0.980 7.555 13.523 1.00 33.38 C ATOM 355 C GLY H 25 1.203 7.469 15.020 1.00 44.18 C ATOM 356 O GLY H 25 1.627 8.440 15.650 1.00 47.90 O ATOM 357 N MET H 26 0.958 6.290 15.583 1.00 36.87 N ATOM 358 CA MET H 26 1.110 6.047 17.018 1.00 34.15 C ATOM 359 C MET H 26 2.549 5.964 17.589 1.00 40.06 C ATOM 360 O MET H 26 2.686 6.149 18.824 1.00 42.60 O ATOM 361 CB MET H 26 0.262 4.830 17.383 1.00 35.95 C ATOM 362 CG MET H 26 -0.026 4.667 18.844 1.00 41.77 C ATOM 363 SD MET H 26 -0.399 2.941 19.116 1.00 46.28 S ATOM 364 CE MET H 26 -1.784 3.018 20.292 1.00 45.66 C ATOM 365 N SER H 27 3.559 5.615 16.747 1.00 33.62 N ATOM 366 CA SER H 27 5.001 5.513 17.027 1.00 36.61 C ATOM 367 C SER H 27 5.758 5.940 15.803 1.00 35.48 C ATOM 368 O SER H 27 6.270 5.123 15.072 1.00 40.09 O ATOM 369 CB SER H 27 5.579 4.121 17.340 1.00 36.03 C ATOM 370 OG SER H 27 4.557 3.320 17.761 1.00 39.35 O ATOM 371 N PRO H 28 5.822 7.218 15.586 1.00 30.86 N ATOM 372 CA PRO H 28 6.453 7.651 14.375 1.00 28.92 C ATOM 373 C PRO H 28 7.958 7.522 14.385 1.00 29.47 C ATOM 374 O PRO H 28 8.600 7.823 13.401 1.00 28.36 O ATOM 375 CB PRO H 28 5.951 9.070 14.111 1.00 33.01 C ATOM 376 CG PRO H 28 5.236 9.518 15.393 1.00 36.60 C ATOM 377 CD PRO H 28 5.223 8.336 16.362 1.00 32.12 C ATOM 378 N TRP H 29 8.517 7.006 15.469 1.00 30.98 N ATOM 379 CA TRP H 29 9.959 6.827 15.520 1.00 30.08 C ATOM 380 C TRP H 29 10.394 5.433 15.134 1.00 36.44 C ATOM 381 O TRP H 29 11.565 5.204 14.866 1.00 40.05 O ATOM 382 CB TRP H 29 10.511 7.054 16.891 1.00 31.57 C ATOM 383 CG TRP H 29 9.523 6.664 17.924 1.00 33.29 C ATOM 384 CD1 TRP H 29 9.373 5.421 18.467 1.00 32.70 C ATOM 385 CD2 TRP H 29 8.545 7.545 18.576 1.00 33.55 C ATOM 386 NE1 TRP H 29 8.388 5.466 19.438 1.00 26.30 N ATOM 387 CE2 TRP H 29 7.846 6.762 19.513 1.00 26.21 C ATOM 388 CE3 TRP H 29 8.220 8.922 18.468 1.00 35.29 C ATOM 389 CZ2 TRP H 29 6.823 7.323 20.335 1.00 25.16 C ATOM 390 CZ3 TRP H 29 7.234 9.471 19.275 1.00 32.82 C ATOM 391 CH2 TRP H 29 6.545 8.671 20.214 1.00 32.62 C ATOM 392 N GLN H 30 9.439 4.513 15.150 1.00 29.93 N ATOM 393 CA GLN H 30 9.670 3.111 14.834 1.00 26.12 C ATOM 394 C GLN H 30 10.338 2.909 13.493 1.00 33.61 C ATOM 395 O GLN H 30 9.989 3.566 12.506 1.00 36.20 O ATOM 396 CB GLN H 30 8.367 2.403 14.756 1.00 27.62 C ATOM 397 CG GLN H 30 8.592 0.920 14.548 1.00 25.66 C ATOM 398 CD GLN H 30 8.790 0.234 15.867 1.00 38.84 C ATOM 399 OE1 GLN H 30 8.306 0.659 16.937 1.00 41.63 O ATOM 400 NE2 GLN H 30 9.492 -0.859 15.806 1.00 28.38 N ATOM 401 N VAL H 31 11.289 1.982 13.448 1.00 30.20 N ATOM 402 CA VAL H 31 12.036 1.789 12.209 1.00 30.35 C ATOM 403 C VAL H 31 12.180 0.345 11.825 1.00 38.14 C ATOM 404 O VAL H 31 12.173 -0.493 12.707 1.00 42.78 O ATOM 405 CB VAL H 31 13.395 2.448 12.317 1.00 38.20 C ATOM 406 CG1 VAL H 31 14.232 2.221 11.052 1.00 32.90 C ATOM 407 CG2 VAL H 31 13.167 3.939 12.566 1.00 40.12 C ATOM 408 N MET H 32 12.325 0.089 10.513 1.00 41.78 N ATOM 409 CA MET H 32 12.460 -1.263 9.993 1.00 35.64 C ATOM 410 C MET H 32 13.805 -1.577 9.397 1.00 29.01 C ATOM 411 O MET H 32 14.235 -0.983 8.417 1.00 33.82 O ATOM 412 CB MET H 32 11.383 -1.618 8.991 1.00 38.90 C ATOM 413 CG MET H 32 11.286 -3.105 8.764 1.00 45.11 C ATOM 414 SD MET H 32 10.056 -3.562 7.507 1.00 50.03 S ATOM 415 CE MET H 32 8.562 -2.780 8.083 1.00 51.54 C ATOM 416 N LEU H 33 14.465 -2.528 10.047 1.00 37.55 N ATOM 417 CA LEU H 33 15.731 -3.068 9.600 1.00 38.85 C ATOM 418 C LEU H 33 15.352 -4.066 8.540 1.00 39.66 C ATOM 419 O LEU H 33 14.645 -5.066 8.749 1.00 38.83 O ATOM 420 CB LEU H 33 16.425 -3.807 10.725 1.00 41.59 C ATOM 421 CG LEU H 33 17.498 -2.989 11.376 1.00 53.80 C ATOM 422 CD1 LEU H 33 18.648 -3.932 11.780 1.00 54.86 C ATOM 423 CD2 LEU H 33 18.045 -1.967 10.362 1.00 53.03 C ATOM 424 N PHE H 34 15.706 -3.709 7.350 1.00 34.17 N ATOM 425 CA PHE H 34 15.283 -4.556 6.277 1.00 36.25 C ATOM 426 C PHE H 34 16.445 -5.130 5.476 1.00 54.63 C ATOM 427 O PHE H 34 17.299 -4.386 4.951 1.00 44.20 O ATOM 428 CB PHE H 34 14.328 -3.756 5.407 1.00 39.53 C ATOM 429 CG PHE H 34 13.510 -4.657 4.565 1.00 39.48 C ATOM 430 CD1 PHE H 34 12.488 -5.435 5.110 1.00 38.63 C ATOM 431 CD2 PHE H 34 13.804 -4.774 3.213 1.00 46.53 C ATOM 432 CE1 PHE H 34 11.728 -6.292 4.315 1.00 35.74 C ATOM 433 CE2 PHE H 34 13.068 -5.652 2.421 1.00 50.67 C ATOM 434 CZ PHE H 34 12.022 -6.402 2.961 1.00 34.03 C ATOM 435 N ARG H 35 16.440 -6.475 5.381 1.00 55.72 N ATOM 436 CA ARG H 35 17.429 -7.247 4.636 1.00 53.41 C ATOM 437 C ARG H 35 17.347 -7.045 3.122 1.00 61.21 C ATOM 438 O ARG H 35 16.392 -7.490 2.465 1.00 48.68 O ATOM 439 CB ARG H 35 17.399 -8.722 4.980 0.00 51.28 C ATOM 440 CG ARG H 35 18.497 -9.500 4.273 0.00 54.21 C ATOM 441 CD ARG H 35 18.880 -10.774 5.008 0.00 53.68 C ATOM 442 NE ARG H 35 20.088 -11.393 4.477 0.00 52.24 N ATOM 443 CZ ARG H 35 20.560 -12.563 4.892 0.00 59.88 C ATOM 444 NH1 ARG H 35 19.948 -13.270 5.837 0.00 45.73 N ATOM 445 NH2 ARG H 35 21.670 -13.043 4.342 0.00 45.14 N ATOM 446 N LYS H 36 18.375 -6.365 2.597 1.00 62.11 N ATOM 447 CA LYS H 36 18.521 -6.070 1.183 1.00 56.89 C ATOM 448 C LYS H 36 18.118 -7.291 0.362 1.00 81.59 C ATOM 449 O LYS H 36 17.146 -7.239 -0.413 1.00 89.00 O ATOM 450 CB LYS H 36 19.940 -5.577 0.838 1.00 43.93 C ATOM 451 CG LYS H 36 20.073 -4.142 0.269 1.00 32.89 C ATOM 452 CD LYS H 36 21.332 -3.428 0.724 0.00 42.39 C ATOM 453 CE LYS H 36 21.322 -1.951 0.370 0.00 52.34 C ATOM 454 NZ LYS H 36 22.503 -1.234 0.875 0.00 61.31 N ATOM 455 N SER H 36A 18.822 -8.413 0.567 1.00 78.75 N ATOM 456 CA SER H 36A 18.494 -9.626 -0.172 1.00 75.88 C ATOM 457 C SER H 36A 19.100 -10.879 0.426 1.00 62.92 C ATOM 458 O SER H 36A 20.291 -10.920 0.647 1.00 61.08 O ATOM 459 CB SER H 36A 18.842 -9.507 -1.645 0.00 79.28 C ATOM 460 OG SER H 36A 20.232 -9.294 -1.796 0.00 88.02 O ATOM 461 N PRO H 37 18.280 -11.899 0.693 1.00 55.43 N ATOM 462 CA PRO H 37 16.848 -11.927 0.422 1.00 55.53 C ATOM 463 C PRO H 37 16.110 -10.796 1.118 1.00 71.07 C ATOM 464 O PRO H 37 16.324 -10.503 2.298 1.00 82.27 O ATOM 465 CB PRO H 37 16.332 -13.253 0.968 1.00 51.94 C ATOM 466 CG PRO H 37 17.385 -13.738 1.948 1.00 56.25 C ATOM 467 CD PRO H 37 18.624 -12.854 1.770 1.00 53.64 C ATOM 468 N GLN H 38 15.244 -10.137 0.359 1.00 66.29 N ATOM 469 CA GLN H 38 14.490 -9.016 0.879 1.00 59.77 C ATOM 470 C GLN H 38 13.644 -9.515 2.043 1.00 58.89 C ATOM 471 O GLN H 38 12.715 -10.318 1.901 1.00 54.47 O ATOM 472 CB GLN H 38 13.685 -8.335 -0.249 1.00 57.38 C ATOM 473 CG GLN H 38 14.312 -7.072 -0.846 0.00 65.95 C ATOM 474 CD GLN H 38 13.471 -6.524 -1.982 0.00 78.55 C ATOM 475 OE1 GLN H 38 12.294 -6.885 -2.138 0.00 73.11 O ATOM 476 NE2 GLN H 38 14.078 -5.667 -2.792 0.00 69.75 N ATOM 477 N GLU H 39 14.026 -9.116 3.245 1.00 56.36 N ATOM 478 CA GLU H 39 13.289 -9.608 4.395 1.00 54.92 C ATOM 479 C GLU H 39 13.591 -8.784 5.640 1.00 53.32 C ATOM 480 O GLU H 39 14.694 -8.200 5.752 1.00 51.56 O ATOM 481 CB GLU H 39 13.559 -11.118 4.609 1.00 54.88 C ATOM 482 CG GLU H 39 14.877 -11.364 5.372 1.00 70.40 C ATOM 483 CD GLU H 39 15.184 -12.793 5.794 1.00 78.53 C ATOM 484 OE1 GLU H 39 14.372 -13.590 6.255 1.00 74.52 O ATOM 485 OE2 GLU H 39 16.480 -13.054 5.697 1.00 79.19 O ATOM 486 N LEU H 40 12.608 -8.730 6.555 1.00 40.47 N ATOM 487 CA LEU H 40 12.749 -7.966 7.774 1.00 39.24 C ATOM 488 C LEU H 40 13.730 -8.598 8.721 1.00 48.64 C ATOM 489 O LEU H 40 13.698 -9.804 8.964 1.00 45.99 O ATOM 490 CB LEU H 40 11.456 -7.666 8.522 1.00 43.40 C ATOM 491 CG LEU H 40 11.752 -7.095 9.908 1.00 48.64 C ATOM 492 CD1 LEU H 40 12.086 -5.604 9.851 1.00 40.26 C ATOM 493 CD2 LEU H 40 10.626 -7.390 10.865 1.00 26.20 C ATOM 494 N LEU H 41 14.576 -7.738 9.271 1.00 56.96 N ATOM 495 CA LEU H 41 15.620 -8.124 10.201 1.00 53.28 C ATOM 496 C LEU H 41 15.317 -7.902 11.691 1.00 47.03 C ATOM 497 O LEU H 41 15.349 -8.798 12.533 1.00 41.73 O ATOM 498 CB LEU H 41 16.796 -7.230 9.877 1.00 56.08 C ATOM 499 CG LEU H 41 18.028 -7.988 9.543 1.00 60.36 C ATOM 500 CD1 LEU H 41 17.648 -9.145 8.629 1.00 52.86 C ATOM 501 CD2 LEU H 41 18.983 -7.018 8.850 1.00 69.16 C ATOM 502 N CYS H 42 15.092 -6.646 12.047 1.00 40.23 N ATOM 503 CA CYS H 42 14.888 -6.300 13.429 1.00 35.42 C ATOM 504 C CYS H 42 14.116 -5.027 13.410 1.00 40.15 C ATOM 505 O CYS H 42 13.818 -4.498 12.337 1.00 48.16 O ATOM 506 CB CYS H 42 16.275 -5.941 14.030 1.00 35.59 C ATOM 507 SG CYS H 42 17.183 -7.286 14.873 1.00 37.87 S ATOM 508 N GLY H 43 13.944 -4.474 14.589 1.00 30.57 N ATOM 509 CA GLY H 43 13.387 -3.145 14.686 1.00 32.98 C ATOM 510 C GLY H 43 14.515 -2.159 15.049 1.00 40.64 C ATOM 511 O GLY H 43 15.695 -2.539 15.154 1.00 44.61 O ATOM 512 N ALA H 44 14.162 -0.902 15.209 1.00 32.81 N ATOM 513 CA ALA H 44 15.101 0.136 15.597 1.00 26.10 C ATOM 514 C ALA H 44 14.254 1.366 15.793 1.00 40.84 C ATOM 515 O ALA H 44 13.024 1.235 15.752 1.00 30.38 O ATOM 516 CB ALA H 44 16.153 0.364 14.535 1.00 24.04 C ATOM 517 N SER H 45 14.878 2.535 15.993 1.00 36.26 N ATOM 518 CA SER H 45 14.104 3.750 16.177 1.00 28.75 C ATOM 519 C SER H 45 14.787 5.053 15.779 1.00 34.94 C ATOM 520 O SER H 45 15.996 5.233 15.858 1.00 40.29 O ATOM 521 CB SER H 45 13.583 3.847 17.581 1.00 23.64 C ATOM 522 OG SER H 45 14.699 3.994 18.396 1.00 38.27 O ATOM 523 N LEU H 46 13.958 6.002 15.387 1.00 38.53 N ATOM 524 CA LEU H 46 14.409 7.305 14.982 1.00 34.73 C ATOM 525 C LEU H 46 14.742 8.211 16.175 1.00 36.80 C ATOM 526 O LEU H 46 13.874 8.608 16.947 1.00 33.86 O ATOM 527 CB LEU H 46 13.301 7.911 14.121 1.00 37.60 C ATOM 528 CG LEU H 46 13.843 8.497 12.846 1.00 44.38 C ATOM 529 CD1 LEU H 46 13.200 9.846 12.556 1.00 39.23 C ATOM 530 CD2 LEU H 46 15.356 8.663 12.974 1.00 51.96 C ATOM 531 N ILE H 47 16.014 8.550 16.359 1.00 35.21 N ATOM 532 CA ILE H 47 16.336 9.434 17.451 1.00 29.51 C ATOM 533 C ILE H 47 16.799 10.769 16.944 1.00 33.56 C ATOM 534 O ILE H 47 16.942 11.690 17.674 1.00 41.38 O ATOM 535 CB ILE H 47 17.355 8.891 18.395 1.00 41.71 C ATOM 536 CG1 ILE H 47 18.656 8.649 17.637 1.00 53.48 C ATOM 537 CG2 ILE H 47 16.833 7.625 19.072 1.00 35.54 C ATOM 538 CD1 ILE H 47 19.834 8.350 18.573 1.00 33.01 C ATOM 539 N SER H 48 16.991 10.887 15.656 1.00 46.53 N ATOM 540 CA SER H 48 17.362 12.156 15.044 1.00 47.56 C ATOM 541 C SER H 48 17.065 12.095 13.544 1.00 57.45 C ATOM 542 O SER H 48 16.433 11.126 13.061 1.00 55.65 O ATOM 543 CB SER H 48 18.812 12.503 15.384 1.00 55.88 C ATOM 544 OG SER H 48 19.549 12.968 14.270 1.00 70.94 O ATOM 545 N ASP H 49 17.500 13.101 12.782 1.00 55.54 N ATOM 546 CA ASP H 49 17.261 13.050 11.345 1.00 47.11 C ATOM 547 C ASP H 49 18.270 12.220 10.553 1.00 48.29 C ATOM 548 O ASP H 49 18.004 11.863 9.395 1.00 40.45 O ATOM 549 CB ASP H 49 16.912 14.378 10.687 1.00 41.80 C ATOM 550 CG ASP H 49 18.093 15.200 10.339 1.00 59.90 C ATOM 551 OD1 ASP H 49 19.103 15.248 11.025 1.00 50.08 O ATOM 552 OD2 ASP H 49 17.857 15.940 9.277 1.00 96.26 O ATOM 553 N ARG H 50 19.377 11.858 11.221 1.00 40.04 N ATOM 554 CA ARG H 50 20.444 11.085 10.620 1.00 38.89 C ATOM 555 C ARG H 50 20.836 9.829 11.396 1.00 42.00 C ATOM 556 O ARG H 50 21.668 9.072 10.870 1.00 38.13 O ATOM 557 CB ARG H 50 21.687 11.969 10.436 1.00 41.31 C ATOM 558 CG ARG H 50 21.863 12.400 8.985 0.00 48.65 C ATOM 559 CD ARG H 50 22.705 13.657 8.811 0.00 55.45 C ATOM 560 NE ARG H 50 24.140 13.410 8.878 0.00 60.74 N ATOM 561 CZ ARG H 50 25.065 14.345 8.667 0.00 72.63 C ATOM 562 NH1 ARG H 50 24.744 15.602 8.383 0.00 59.49 N ATOM 563 NH2 ARG H 50 26.349 14.009 8.751 0.00 58.90 N ATOM 564 N TRP H 51 20.253 9.625 12.607 1.00 40.87 N ATOM 565 CA TRP H 51 20.585 8.565 13.576 1.00 37.11 C ATOM 566 C TRP H 51 19.512 7.567 14.005 1.00 38.69 C ATOM 567 O TRP H 51 18.454 7.867 14.586 1.00 40.17 O ATOM 568 CB TRP H 51 21.219 9.140 14.849 1.00 33.58 C ATOM 569 CG TRP H 51 22.607 9.689 14.628 1.00 39.89 C ATOM 570 CD1 TRP H 51 22.907 11.016 14.521 1.00 43.55 C ATOM 571 CD2 TRP H 51 23.868 8.983 14.479 1.00 41.36 C ATOM 572 NE1 TRP H 51 24.254 11.211 14.296 1.00 44.57 N ATOM 573 CE2 TRP H 51 24.877 9.990 14.273 1.00 46.85 C ATOM 574 CE3 TRP H 51 24.251 7.645 14.467 1.00 39.88 C ATOM 575 CZ2 TRP H 51 26.228 9.677 14.077 1.00 40.68 C ATOM 576 CZ3 TRP H 51 25.596 7.359 14.274 1.00 40.43 C ATOM 577 CH2 TRP H 51 26.564 8.351 14.105 1.00 39.43 C ATOM 578 N VAL H 52 19.858 6.324 13.772 1.00 34.82 N ATOM 579 CA VAL H 52 18.982 5.247 14.148 1.00 41.93 C ATOM 580 C VAL H 52 19.559 4.492 15.345 1.00 46.60 C ATOM 581 O VAL H 52 20.759 4.382 15.550 1.00 44.61 O ATOM 582 CB VAL H 52 18.575 4.354 12.928 1.00 33.39 C ATOM 583 CG1 VAL H 52 18.145 2.960 13.388 1.00 22.01 C ATOM 584 CG2 VAL H 52 17.405 5.014 12.196 1.00 30.58 C ATOM 585 N LEU H 53 18.695 3.962 16.173 1.00 37.34 N ATOM 586 CA LEU H 53 19.212 3.220 17.298 1.00 32.62 C ATOM 587 C LEU H 53 18.701 1.770 17.320 1.00 46.93 C ATOM 588 O LEU H 53 17.496 1.489 17.157 1.00 46.21 O ATOM 589 CB LEU H 53 18.915 3.954 18.588 1.00 28.33 C ATOM 590 CG LEU H 53 19.549 3.315 19.786 1.00 43.19 C ATOM 591 CD1 LEU H 53 21.056 3.169 19.614 1.00 56.23 C ATOM 592 CD2 LEU H 53 19.256 4.160 20.986 1.00 27.63 C ATOM 593 N THR H 54 19.631 0.817 17.490 1.00 37.76 N ATOM 594 CA THR H 54 19.235 -0.586 17.522 1.00 29.42 C ATOM 595 C THR H 54 20.031 -1.420 18.538 1.00 37.92 C ATOM 596 O THR H 54 20.692 -0.903 19.478 1.00 44.40 O ATOM 597 CB THR H 54 19.175 -1.167 16.109 1.00 34.80 C ATOM 598 OG1 THR H 54 18.576 -2.449 16.046 1.00 34.63 O ATOM 599 CG2 THR H 54 20.582 -1.185 15.522 1.00 31.09 C ATOM 600 N ALA H 55 19.915 -2.737 18.436 1.00 31.21 N ATOM 601 CA ALA H 55 20.638 -3.644 19.321 1.00 27.64 C ATOM 602 C ALA H 55 21.779 -4.284 18.542 1.00 32.95 C ATOM 603 O ALA H 55 21.572 -4.781 17.413 1.00 35.40 O ATOM 604 CB ALA H 55 19.687 -4.739 19.817 1.00 29.08 C ATOM 605 N ALA H 56 22.955 -4.289 19.158 1.00 34.26 N ATOM 606 CA ALA H 56 24.148 -4.855 18.556 1.00 32.94 C ATOM 607 C ALA H 56 23.969 -6.246 17.966 1.00 38.05 C ATOM 608 O ALA H 56 24.474 -6.502 16.870 1.00 35.52 O ATOM 609 CB ALA H 56 25.367 -4.755 19.454 1.00 28.59 C ATOM 610 N HIS H 57 23.227 -7.107 18.667 1.00 27.82 N ATOM 611 CA HIS H 57 22.984 -8.480 18.213 1.00 33.19 C ATOM 612 C HIS H 57 22.204 -8.596 16.895 1.00 38.88 C ATOM 613 O HIS H 57 22.122 -9.672 16.253 1.00 42.88 O ATOM 614 CB HIS H 57 22.352 -9.414 19.309 1.00 38.29 C ATOM 615 CG HIS H 57 20.844 -9.304 19.457 1.00 43.72 C ATOM 616 ND1 HIS H 57 20.246 -8.307 20.268 1.00 43.05 N ATOM 617 CD2 HIS H 57 19.851 -10.035 18.870 1.00 45.89 C ATOM 618 CE1 HIS H 57 18.938 -8.493 20.167 1.00 45.10 C ATOM 619 NE2 HIS H 57 18.664 -9.530 19.354 1.00 46.83 N ATOM 620 N CYS H 58 21.579 -7.497 16.510 1.00 33.97 N ATOM 621 CA CYS H 58 20.825 -7.442 15.266 1.00 36.52 C ATOM 622 C CYS H 58 21.805 -7.473 14.110 1.00 43.29 C ATOM 623 O CYS H 58 21.568 -8.088 13.089 1.00 43.66 O ATOM 624 CB CYS H 58 19.973 -6.147 15.196 1.00 33.60 C ATOM 625 SG CYS H 58 18.449 -6.317 16.122 1.00 38.64 S ATOM 626 N LEU H 59 22.932 -6.809 14.346 1.00 35.53 N ATOM 627 CA LEU H 59 24.027 -6.653 13.416 1.00 32.50 C ATOM 628 C LEU H 59 25.118 -7.709 13.537 1.00 53.37 C ATOM 629 O LEU H 59 25.718 -8.129 12.574 1.00 55.56 O ATOM 630 CB LEU H 59 24.692 -5.287 13.688 1.00 27.67 C ATOM 631 CG LEU H 59 23.748 -4.088 13.524 1.00 36.61 C ATOM 632 CD1 LEU H 59 24.479 -2.788 13.813 1.00 46.62 C ATOM 633 CD2 LEU H 59 23.227 -4.015 12.108 1.00 44.17 C ATOM 634 N LEU H 60 25.432 -8.109 14.755 1.00 49.49 N ATOM 635 CA LEU H 60 26.526 -9.012 14.976 1.00 27.54 C ATOM 636 C LEU H 60 26.285 -10.010 16.085 1.00 39.12 C ATOM 637 O LEU H 60 25.995 -9.676 17.230 1.00 47.91 O ATOM 638 CB LEU H 60 27.710 -8.135 15.356 1.00 31.85 C ATOM 639 CG LEU H 60 28.945 -8.988 15.662 1.00 45.41 C ATOM 640 CD1 LEU H 60 29.373 -9.727 14.420 1.00 47.44 C ATOM 641 CD2 LEU H 60 30.067 -8.063 16.085 1.00 39.45 C ATOM 642 N TYR H 60A 26.487 -11.258 15.731 1.00 40.28 N ATOM 643 CA TYR H 60A 26.294 -12.366 16.632 1.00 38.57 C ATOM 644 C TYR H 60A 26.959 -13.606 16.069 1.00 42.40 C ATOM 645 O TYR H 60A 26.336 -14.455 15.403 1.00 37.18 O ATOM 646 CB TYR H 60A 24.829 -12.628 16.915 1.00 35.14 C ATOM 647 CG TYR H 60A 24.684 -13.616 18.046 1.00 35.64 C ATOM 648 CD1 TYR H 60A 25.215 -13.306 19.300 1.00 30.93 C ATOM 649 CD2 TYR H 60A 24.059 -14.847 17.851 1.00 29.79 C ATOM 650 CE1 TYR H 60A 25.105 -14.186 20.366 1.00 24.61 C ATOM 651 CE2 TYR H 60A 23.908 -15.726 18.924 1.00 29.04 C ATOM 652 CZ TYR H 60A 24.433 -15.398 20.172 1.00 39.74 C ATOM 653 OH TYR H 60A 24.315 -16.297 21.213 1.00 34.62 O ATOM 654 N PRO H 60B 28.260 -13.627 16.331 1.00 33.51 N ATOM 655 CA PRO H 60B 29.221 -14.610 15.868 1.00 37.14 C ATOM 656 C PRO H 60B 28.854 -16.033 16.207 1.00 41.52 C ATOM 657 O PRO H 60B 29.108 -16.915 15.464 1.00 41.36 O ATOM 658 CB PRO H 60B 30.555 -14.252 16.481 1.00 31.80 C ATOM 659 CG PRO H 60B 30.317 -12.912 17.176 1.00 37.37 C ATOM 660 CD PRO H 60B 28.827 -12.651 17.241 1.00 24.44 C ATOM 661 N PRO H 60C 28.217 -16.277 17.321 1.00 39.61 N ATOM 662 CA PRO H 60C 27.870 -17.642 17.533 1.00 35.24 C ATOM 663 C PRO H 60C 27.048 -18.153 16.373 1.00 48.14 C ATOM 664 O PRO H 60C 26.961 -19.364 16.179 1.00 55.21 O ATOM 665 CB PRO H 60C 27.129 -17.650 18.854 1.00 36.37 C ATOM 666 CG PRO H 60C 27.747 -16.503 19.660 1.00 35.40 C ATOM 667 CD PRO H 60C 28.208 -15.517 18.618 1.00 42.14 C ATOM 668 N TRP H 60D 26.513 -17.224 15.570 1.00 49.66 N ATOM 669 CA TRP H 60D 25.704 -17.552 14.394 1.00 51.46 C ATOM 670 C TRP H 60D 26.155 -17.033 13.073 1.00 51.06 C ATOM 671 O TRP H 60D 25.335 -16.950 12.141 1.00 53.44 O ATOM 672 CB TRP H 60D 24.366 -16.938 14.505 1.00 54.92 C ATOM 673 CG TRP H 60D 23.789 -17.703 15.542 1.00 61.44 C ATOM 674 CD1 TRP H 60D 24.415 -18.711 16.169 1.00 66.36 C ATOM 675 CD2 TRP H 60D 22.500 -17.624 16.050 1.00 63.49 C ATOM 676 NE1 TRP H 60D 23.586 -19.276 17.088 1.00 70.57 N ATOM 677 CE2 TRP H 60D 22.400 -18.626 17.045 1.00 70.13 C ATOM 678 CE3 TRP H 60D 21.442 -16.782 15.798 1.00 68.56 C ATOM 679 CZ2 TRP H 60D 21.264 -18.781 17.818 1.00 73.27 C ATOM 680 CZ3 TRP H 60D 20.303 -16.926 16.557 1.00 75.11 C ATOM 681 CH2 TRP H 60D 20.218 -17.909 17.561 1.00 77.53 C ATOM 682 N ASP H 60E 27.391 -16.614 13.028 1.00 55.82 N ATOM 683 CA ASP H 60E 27.819 -16.096 11.772 1.00 61.33 C ATOM 684 C ASP H 60E 27.017 -14.875 11.421 1.00 46.19 C ATOM 685 O ASP H 60E 27.013 -14.538 10.252 1.00 51.24 O ATOM 686 CB ASP H 60E 27.564 -17.139 10.666 1.00 69.07 C ATOM 687 CG ASP H 60E 28.330 -18.418 10.842 1.00 89.00 C ATOM 688 OD1 ASP H 60E 27.734 -19.260 11.669 1.00 80.87 O ATOM 689 OD2 ASP H 60E 29.397 -18.641 10.271 1.00 92.66 O ATOM 690 N LYS H 60F 26.274 -14.297 12.375 1.00 33.16 N ATOM 691 CA LYS H 60F 25.590 -13.059 12.009 1.00 33.95 C ATOM 692 C LYS H 60F 26.607 -11.939 12.054 1.00 35.72 C ATOM 693 O LYS H 60F 27.137 -11.660 13.120 1.00 49.97 O ATOM 694 CB LYS H 60F 24.353 -12.679 12.794 1.00 34.20 C ATOM 695 CG LYS H 60F 23.711 -11.386 12.260 1.00 52.05 C ATOM 696 CD LYS H 60F 22.507 -10.844 13.051 1.00 40.22 C ATOM 697 CE LYS H 60F 21.492 -11.906 13.418 1.00 36.46 C ATOM 698 NZ LYS H 60F 21.008 -11.757 14.792 1.00 55.89 N ATOM 699 N ASN H 60G 26.897 -11.343 10.892 1.00 38.56 N ATOM 700 CA ASN H 60G 27.884 -10.287 10.783 1.00 42.39 C ATOM 701 C ASN H 60G 27.656 -9.333 9.628 1.00 51.08 C ATOM 702 O ASN H 60G 28.427 -9.338 8.691 1.00 57.76 O ATOM 703 CB ASN H 60G 29.325 -10.838 10.696 1.00 60.80 C ATOM 704 CG ASN H 60G 30.216 -9.628 10.873 1.00 56.70 C ATOM 705 OD1 ASN H 60G 29.670 -8.537 11.063 1.00 81.83 O ATOM 706 ND2 ASN H 60G 31.507 -9.763 10.768 1.00 84.50 N ATOM 707 N PHE H 60H 26.637 -8.485 9.765 1.00 46.06 N ATOM 708 CA PHE H 60H 26.206 -7.530 8.760 1.00 44.52 C ATOM 709 C PHE H 60H 27.021 -6.272 8.626 1.00 65.54 C ATOM 710 O PHE H 60H 27.665 -5.831 9.594 1.00 72.01 O ATOM 711 CB PHE H 60H 24.776 -7.065 8.999 1.00 38.25 C ATOM 712 CG PHE H 60H 23.820 -8.172 8.852 1.00 36.62 C ATOM 713 CD1 PHE H 60H 23.574 -8.678 7.580 1.00 51.42 C ATOM 714 CD2 PHE H 60H 23.155 -8.727 9.947 1.00 34.06 C ATOM 715 CE1 PHE H 60H 22.690 -9.743 7.411 1.00 52.95 C ATOM 716 CE2 PHE H 60H 22.254 -9.780 9.793 1.00 34.40 C ATOM 717 CZ PHE H 60H 22.039 -10.299 8.517 1.00 39.89 C ATOM 718 N THR H 60I 26.861 -5.690 7.424 1.00 62.17 N ATOM 719 CA THR H 60I 27.490 -4.447 7.030 1.00 55.99 C ATOM 720 C THR H 60I 26.534 -3.392 6.519 1.00 46.99 C ATOM 721 O THR H 60I 25.438 -3.637 6.004 1.00 52.51 O ATOM 722 CB THR H 60I 28.681 -4.571 6.056 1.00 61.89 C ATOM 723 OG1 THR H 60I 28.276 -4.932 4.743 1.00 76.57 O ATOM 724 CG2 THR H 60I 29.712 -5.528 6.598 1.00 68.63 C ATOM 725 N GLU H 61 27.061 -2.205 6.673 1.00 37.42 N ATOM 726 CA GLU H 61 26.481 -0.970 6.257 1.00 43.84 C ATOM 727 C GLU H 61 25.707 -1.223 4.995 1.00 54.47 C ATOM 728 O GLU H 61 24.553 -0.812 4.847 1.00 62.16 O ATOM 729 CB GLU H 61 27.692 -0.094 5.931 1.00 49.56 C ATOM 730 CG GLU H 61 28.962 -0.646 6.637 1.00 65.08 C ATOM 731 CD GLU H 61 29.430 0.405 7.572 1.00 73.74 C ATOM 732 OE1 GLU H 61 29.041 1.562 7.133 1.00 70.19 O ATOM 733 OE2 GLU H 61 29.966 0.232 8.658 1.00 57.96 O ATOM 734 N ASN H 62 26.365 -1.970 4.112 1.00 44.93 N ATOM 735 CA ASN H 62 25.832 -2.262 2.807 1.00 45.03 C ATOM 736 C ASN H 62 24.868 -3.412 2.748 1.00 51.30 C ATOM 737 O ASN H 62 24.253 -3.647 1.737 1.00 53.73 O ATOM 738 CB ASN H 62 26.968 -2.498 1.800 1.00 42.27 C ATOM 739 CG ASN H 62 27.463 -1.231 1.132 0.00 65.43 C ATOM 740 OD1 ASN H 62 28.663 -1.088 0.857 0.00 59.79 O ATOM 741 ND2 ASN H 62 26.544 -0.303 0.876 0.00 57.33 N ATOM 742 N ASP H 63 24.778 -4.203 3.780 1.00 43.92 N ATOM 743 CA ASP H 63 23.911 -5.341 3.620 1.00 41.95 C ATOM 744 C ASP H 63 22.476 -5.064 3.868 1.00 48.13 C ATOM 745 O ASP H 63 21.691 -6.023 3.784 1.00 52.20 O ATOM 746 CB ASP H 63 24.266 -6.413 4.633 1.00 49.44 C ATOM 747 CG ASP H 63 25.381 -7.241 4.146 1.00 73.03 C ATOM 748 OD1 ASP H 63 26.444 -6.519 3.933 1.00 75.69 O ATOM 749 OD2 ASP H 63 25.244 -8.409 3.828 1.00 70.64 O ATOM 750 N LEU H 64 22.162 -3.841 4.279 1.00 46.68 N ATOM 751 CA LEU H 64 20.794 -3.643 4.691 1.00 52.60 C ATOM 752 C LEU H 64 20.178 -2.308 4.376 1.00 53.17 C ATOM 753 O LEU H 64 20.891 -1.324 4.158 1.00 44.63 O ATOM 754 CB LEU H 64 20.688 -3.908 6.205 1.00 57.09 C ATOM 755 CG LEU H 64 22.042 -3.698 6.886 1.00 62.02 C ATOM 756 CD1 LEU H 64 22.003 -2.487 7.790 1.00 59.36 C ATOM 757 CD2 LEU H 64 22.428 -4.920 7.683 1.00 67.03 C ATOM 758 N LEU H 65 18.836 -2.355 4.440 1.00 62.17 N ATOM 759 CA LEU H 65 17.882 -1.283 4.199 1.00 60.05 C ATOM 760 C LEU H 65 17.109 -0.908 5.456 1.00 55.34 C ATOM 761 O LEU H 65 16.649 -1.775 6.221 1.00 48.22 O ATOM 762 CB LEU H 65 16.835 -1.758 3.160 1.00 59.70 C ATOM 763 CG LEU H 65 16.625 -0.726 2.082 1.00 63.32 C ATOM 764 CD1 LEU H 65 17.436 0.516 2.434 1.00 70.78 C ATOM 765 CD2 LEU H 65 17.068 -1.282 0.742 1.00 60.14 C ATOM 766 N VAL H 66 16.884 0.399 5.597 1.00 53.67 N ATOM 767 CA VAL H 66 16.107 1.015 6.675 1.00 45.05 C ATOM 768 C VAL H 66 14.849 1.708 6.128 1.00 36.57 C ATOM 769 O VAL H 66 14.913 2.576 5.240 1.00 41.33 O ATOM 770 CB VAL H 66 17.042 1.955 7.454 1.00 47.19 C ATOM 771 CG1 VAL H 66 16.402 3.232 7.960 1.00 42.89 C ATOM 772 CG2 VAL H 66 17.768 1.211 8.567 1.00 46.69 C ATOM 773 N ARG H 67 13.687 1.283 6.621 1.00 28.04 N ATOM 774 CA ARG H 67 12.396 1.814 6.207 1.00 26.71 C ATOM 775 C ARG H 67 11.648 2.454 7.366 1.00 42.86 C ATOM 776 O ARG H 67 11.427 1.796 8.362 1.00 32.15 O ATOM 777 CB ARG H 67 11.554 0.726 5.578 1.00 27.77 C ATOM 778 CG ARG H 67 12.429 -0.196 4.711 1.00 27.04 C ATOM 779 CD ARG H 67 11.664 -1.399 4.218 1.00 41.76 C ATOM 780 NE ARG H 67 10.405 -1.007 3.586 1.00 38.93 N ATOM 781 CZ ARG H 67 9.550 -1.858 2.983 1.00 55.80 C ATOM 782 NH1 ARG H 67 9.778 -3.157 2.917 1.00 22.25 N ATOM 783 NH2 ARG H 67 8.425 -1.390 2.434 1.00 45.75 N ATOM 784 N ILE H 68 11.239 3.723 7.190 1.00 37.49 N ATOM 785 CA ILE H 68 10.573 4.515 8.211 1.00 33.49 C ATOM 786 C ILE H 68 9.229 5.098 7.778 1.00 42.13 C ATOM 787 O ILE H 68 9.095 5.635 6.707 1.00 43.93 O ATOM 788 CB ILE H 68 11.469 5.705 8.558 1.00 39.15 C ATOM 789 CG1 ILE H 68 12.754 5.580 7.795 1.00 41.78 C ATOM 790 CG2 ILE H 68 11.778 5.773 10.041 1.00 49.02 C ATOM 791 CD1 ILE H 68 13.864 6.423 8.409 1.00 40.88 C ATOM 792 N GLY H 69 8.258 5.130 8.683 1.00 37.68 N ATOM 793 CA GLY H 69 6.948 5.683 8.370 1.00 30.68 C ATOM 794 C GLY H 69 5.962 4.577 8.015 1.00 31.61 C ATOM 795 O GLY H 69 4.984 4.815 7.382 1.00 44.66 O ATOM 796 N LYS H 70 6.218 3.356 8.457 1.00 33.88 N ATOM 797 CA LYS H 70 5.422 2.195 8.106 1.00 35.16 C ATOM 798 C LYS H 70 4.389 1.790 9.129 1.00 38.76 C ATOM 799 O LYS H 70 4.535 2.004 10.320 1.00 31.83 O ATOM 800 CB LYS H 70 6.341 0.967 7.924 1.00 35.17 C ATOM 801 CG LYS H 70 7.255 0.990 6.720 1.00 29.70 C ATOM 802 CD LYS H 70 7.731 -0.427 6.407 1.00 27.95 C ATOM 803 CE LYS H 70 6.671 -1.235 5.659 1.00 52.08 C ATOM 804 NZ LYS H 70 6.112 -0.575 4.431 1.00 36.66 N ATOM 805 N HIS H 71 3.421 1.047 8.613 1.00 37.82 N ATOM 806 CA HIS H 71 2.330 0.469 9.365 1.00 34.98 C ATOM 807 C HIS H 71 2.207 -0.981 8.933 1.00 37.46 C ATOM 808 O HIS H 71 2.344 -1.942 9.672 1.00 35.92 O ATOM 809 CB HIS H 71 1.047 1.271 9.014 1.00 33.95 C ATOM 810 CG HIS H 71 -0.043 0.923 9.934 1.00 39.87 C ATOM 811 ND1 HIS H 71 0.136 0.982 11.327 1.00 44.55 N ATOM 812 CD2 HIS H 71 -1.282 0.461 9.684 1.00 43.06 C ATOM 813 CE1 HIS H 71 -0.973 0.533 11.892 1.00 41.61 C ATOM 814 NE2 HIS H 71 -1.862 0.219 10.929 1.00 44.72 N ATOM 815 N SER H 72 2.057 -1.090 7.641 1.00 38.62 N ATOM 816 CA SER H 72 1.980 -2.354 6.977 1.00 40.84 C ATOM 817 C SER H 72 3.353 -2.982 6.918 1.00 43.12 C ATOM 818 O SER H 72 4.338 -2.361 6.531 1.00 48.81 O ATOM 819 CB SER H 72 1.432 -2.206 5.559 1.00 52.24 C ATOM 820 OG SER H 72 1.212 -3.503 5.032 1.00 69.99 O ATOM 821 N ARG H 73 3.373 -4.249 7.267 1.00 46.08 N ATOM 822 CA ARG H 73 4.561 -5.075 7.287 1.00 46.03 C ATOM 823 C ARG H 73 5.131 -5.374 5.920 1.00 44.37 C ATOM 824 O ARG H 73 6.298 -5.081 5.722 1.00 49.85 O ATOM 825 CB ARG H 73 4.364 -6.354 8.114 1.00 44.57 C ATOM 826 CG ARG H 73 5.572 -7.293 8.133 1.00 52.19 C ATOM 827 CD ARG H 73 5.456 -8.428 9.174 1.00 26.21 C ATOM 828 NE ARG H 73 4.510 -9.473 8.744 1.00 46.96 N ATOM 829 CZ ARG H 73 4.610 -10.139 7.582 1.00 57.11 C ATOM 830 NH1 ARG H 73 5.586 -9.897 6.719 1.00 77.49 N ATOM 831 NH2 ARG H 73 3.702 -11.062 7.256 1.00 42.46 N ATOM 832 N THR H 74 4.296 -5.920 5.017 1.00 49.49 N ATOM 833 CA THR H 74 4.677 -6.381 3.672 1.00 47.74 C ATOM 834 C THR H 74 4.592 -5.431 2.492 1.00 49.70 C ATOM 835 O THR H 74 5.425 -5.485 1.591 1.00 57.82 O ATOM 836 CB THR H 74 3.921 -7.657 3.358 1.00 47.29 C ATOM 837 OG1 THR H 74 2.570 -7.377 3.585 1.00 53.86 O ATOM 838 CG2 THR H 74 4.346 -8.745 4.356 1.00 41.30 C ATOM 839 N ARG H 75 3.597 -4.575 2.513 1.00 43.66 N ATOM 840 CA ARG H 75 3.289 -3.663 1.403 1.00 38.27 C ATOM 841 C ARG H 75 4.318 -2.528 1.353 1.00 49.94 C ATOM 842 O ARG H 75 4.799 -2.000 2.338 1.00 46.96 O ATOM 843 CB ARG H 75 1.897 -3.061 1.590 1.00 36.75 C ATOM 844 CG ARG H 75 0.777 -4.057 1.295 0.50 59.29 C ATOM 845 CD ARG H 75 1.266 -5.503 1.218 0.50 54.67 C ATOM 846 NE ARG H 75 0.540 -6.296 0.217 0.50 82.83 N ATOM 847 CZ ARG H 75 0.332 -5.901 -1.046 0.50 75.02 C ATOM 848 NH1 ARG H 75 -0.831 -5.409 -1.493 0.50 43.46 N ATOM 849 NH2 ARG H 75 1.306 -5.978 -1.962 0.50 38.55 N ATOM 850 N TYR H 76 4.569 -2.122 0.125 1.00 47.81 N ATOM 851 CA TYR H 76 5.413 -0.971 -0.042 1.00 43.59 C ATOM 852 C TYR H 76 4.521 0.277 0.000 1.00 47.43 C ATOM 853 O TYR H 76 3.876 0.599 -0.980 1.00 50.73 O ATOM 854 CB TYR H 76 6.281 -1.107 -1.302 1.00 40.67 C ATOM 855 CG TYR H 76 6.862 0.213 -1.656 1.00 51.35 C ATOM 856 CD1 TYR H 76 7.751 0.858 -0.800 1.00 57.18 C ATOM 857 CD2 TYR H 76 6.415 0.899 -2.783 1.00 54.83 C ATOM 858 CE1 TYR H 76 8.244 2.129 -1.107 1.00 70.89 C ATOM 859 CE2 TYR H 76 6.893 2.168 -3.106 1.00 55.77 C ATOM 860 CZ TYR H 76 7.826 2.777 -2.273 1.00 72.40 C ATOM 861 OH TYR H 76 8.298 4.018 -2.603 1.00 82.43 O ATOM 862 N GLU H 77 4.425 0.922 1.168 1.00 40.34 N ATOM 863 CA GLU H 77 3.562 2.078 1.433 1.00 33.43 C ATOM 864 C GLU H 77 3.934 3.368 0.701 1.00 46.01 C ATOM 865 O GLU H 77 4.609 4.245 1.240 1.00 44.96 O ATOM 866 CB GLU H 77 3.238 2.234 2.928 1.00 30.78 C ATOM 867 CG GLU H 77 3.283 0.867 3.640 1.00 49.40 C ATOM 868 CD GLU H 77 2.914 0.856 5.094 1.00 56.75 C ATOM 869 OE1 GLU H 77 1.791 1.085 5.481 1.00 46.62 O ATOM 870 OE2 GLU H 77 3.895 0.433 5.895 1.00 52.94 O ATOM 871 N ARG H 77A 3.459 3.447 -0.551 1.00 39.30 N ATOM 872 CA ARG H 77A 3.717 4.527 -1.483 1.00 37.49 C ATOM 873 C ARG H 77A 3.198 5.881 -1.029 1.00 47.92 C ATOM 874 O ARG H 77A 2.032 6.048 -0.632 1.00 47.46 O ATOM 875 CB ARG H 77A 3.440 4.124 -2.944 1.00 33.12 C ATOM 876 CG ARG H 77A 3.384 5.229 -4.022 1.00 71.04 C ATOM 877 CD ARG H 77A 3.117 4.719 -5.491 1.00 44.27 C ATOM 878 NE ARG H 77A 1.895 3.910 -5.644 1.00 40.32 N ATOM 879 CZ ARG H 77A 0.780 4.354 -6.209 1.00 71.43 C ATOM 880 NH1 ARG H 77A 0.681 5.584 -6.767 1.00 33.34 N ATOM 881 NH2 ARG H 77A -0.273 3.539 -6.220 1.00 40.03 N ATOM 882 N ASN H 78 4.171 6.797 -1.014 1.00 48.50 N ATOM 883 CA ASN H 78 4.032 8.189 -0.641 1.00 36.51 C ATOM 884 C ASN H 78 3.947 8.406 0.846 1.00 34.75 C ATOM 885 O ASN H 78 3.607 9.455 1.321 1.00 42.82 O ATOM 886 CB ASN H 78 2.829 8.798 -1.329 1.00 44.54 C ATOM 887 CG ASN H 78 2.815 8.665 -2.835 1.00 41.69 C ATOM 888 OD1 ASN H 78 1.924 9.201 -3.478 1.00 61.53 O ATOM 889 ND2 ASN H 78 3.756 7.901 -3.394 1.00 83.19 N ATOM 890 N ILE H 79 4.217 7.368 1.595 1.00 43.34 N ATOM 891 CA ILE H 79 4.111 7.472 3.026 1.00 38.14 C ATOM 892 C ILE H 79 5.429 7.087 3.648 1.00 44.08 C ATOM 893 O ILE H 79 6.020 7.824 4.431 1.00 42.79 O ATOM 894 CB ILE H 79 2.987 6.567 3.521 1.00 37.20 C ATOM 895 CG1 ILE H 79 1.699 6.970 2.827 1.00 36.72 C ATOM 896 CG2 ILE H 79 2.831 6.642 5.051 1.00 23.71 C ATOM 897 CD1 ILE H 79 0.538 6.067 3.172 1.00 35.09 C ATOM 898 N GLU H 80 5.913 5.926 3.244 1.00 43.19 N ATOM 899 CA GLU H 80 7.155 5.447 3.794 1.00 42.12 C ATOM 900 C GLU H 80 8.357 5.972 3.048 1.00 42.46 C ATOM 901 O GLU H 80 8.269 6.240 1.837 1.00 56.67 O ATOM 902 CB GLU H 80 7.170 3.908 3.943 1.00 43.07 C ATOM 903 CG GLU H 80 6.871 3.136 2.658 1.00 51.09 C ATOM 904 CD GLU H 80 7.470 1.787 2.703 1.00 28.97 C ATOM 905 OE1 GLU H 80 8.721 1.867 3.008 1.00 47.93 O ATOM 906 OE2 GLU H 80 6.816 0.766 2.739 1.00 53.15 O ATOM 907 N LYS H 81 9.441 6.129 3.815 1.00 34.19 N ATOM 908 CA LYS H 81 10.790 6.513 3.385 1.00 34.34 C ATOM 909 C LYS H 81 11.799 5.371 3.609 1.00 49.97 C ATOM 910 O LYS H 81 11.715 4.586 4.573 1.00 50.41 O ATOM 911 CB LYS H 81 11.340 7.767 4.050 1.00 35.76 C ATOM 912 CG LYS H 81 10.686 9.089 3.628 1.00 53.04 C ATOM 913 CD LYS H 81 10.120 9.063 2.221 0.00 62.79 C ATOM 914 CE LYS H 81 9.209 10.244 1.940 0.00 75.86 C ATOM 915 NZ LYS H 81 8.861 10.375 0.518 0.00 85.74 N ATOM 916 N ILE H 82 12.747 5.259 2.676 1.00 55.56 N ATOM 917 CA ILE H 82 13.827 4.288 2.716 1.00 48.65 C ATOM 918 C ILE H 82 15.161 4.990 2.728 1.00 57.13 C ATOM 919 O ILE H 82 15.385 5.928 1.955 1.00 59.35 O ATOM 920 CB ILE H 82 13.838 3.404 1.519 1.00 45.64 C ATOM 921 CG1 ILE H 82 12.488 2.793 1.394 1.00 48.55 C ATOM 922 CG2 ILE H 82 14.860 2.297 1.761 1.00 45.38 C ATOM 923 CD1 ILE H 82 12.592 1.420 0.788 1.00 60.27 C ATOM 924 N SER H 83 16.049 4.542 3.601 1.00 49.33 N ATOM 925 CA SER H 83 17.345 5.174 3.644 1.00 45.83 C ATOM 926 C SER H 83 18.407 4.130 3.623 1.00 51.43 C ATOM 927 O SER H 83 18.147 2.911 3.769 1.00 41.99 O ATOM 928 CB SER H 83 17.600 6.040 4.854 1.00 51.98 C ATOM 929 OG SER H 83 16.931 7.275 4.751 1.00 94.95 O ATOM 930 N MET H 84 19.602 4.673 3.454 1.00 56.98 N ATOM 931 CA MET H 84 20.799 3.866 3.401 1.00 55.29 C ATOM 932 C MET H 84 21.714 4.397 4.443 1.00 49.32 C ATOM 933 O MET H 84 21.616 5.594 4.816 1.00 54.45 O ATOM 934 CB MET H 84 21.489 3.810 2.019 1.00 57.77 C ATOM 935 CG MET H 84 20.513 3.655 0.871 0.00 60.09 C ATOM 936 SD MET H 84 20.412 1.938 0.322 0.00 63.43 S ATOM 937 CE MET H 84 18.864 1.977 -0.605 0.00 59.90 C ATOM 938 N LEU H 85 22.563 3.482 4.874 1.00 38.75 N ATOM 939 CA LEU H 85 23.498 3.734 5.960 1.00 45.54 C ATOM 940 C LEU H 85 24.838 4.215 5.509 1.00 57.35 C ATOM 941 O LEU H 85 25.359 3.687 4.546 1.00 65.81 O ATOM 942 CB LEU H 85 23.782 2.447 6.774 1.00 43.29 C ATOM 943 CG LEU H 85 22.517 1.677 7.097 1.00 53.51 C ATOM 944 CD1 LEU H 85 22.868 0.289 7.609 1.00 55.84 C ATOM 945 CD2 LEU H 85 21.701 2.466 8.130 1.00 52.01 C ATOM 946 N GLU H 86 25.399 5.121 6.303 1.00 46.70 N ATOM 947 CA GLU H 86 26.734 5.623 6.088 1.00 41.61 C ATOM 948 C GLU H 86 27.709 4.789 6.920 1.00 55.45 C ATOM 949 O GLU H 86 28.559 4.084 6.380 1.00 65.31 O ATOM 950 CB GLU H 86 26.804 7.141 6.389 1.00 41.97 C ATOM 951 CG GLU H 86 27.993 7.884 5.728 1.00 55.70 C ATOM 952 CD GLU H 86 28.176 9.300 6.217 1.00 50.93 C ATOM 953 OE1 GLU H 86 27.438 10.214 5.903 0.00 45.09 O ATOM 954 OE2 GLU H 86 29.174 9.424 7.057 0.00 44.83 O ATOM 955 N LYS H 87 27.562 4.823 8.247 1.00 52.51 N ATOM 956 CA LYS H 87 28.410 4.042 9.137 1.00 51.28 C ATOM 957 C LYS H 87 27.695 3.449 10.339 1.00 61.52 C ATOM 958 O LYS H 87 26.802 4.069 10.915 1.00 63.01 O ATOM 959 CB LYS H 87 29.751 4.657 9.527 1.00 56.11 C ATOM 960 CG LYS H 87 30.788 3.560 9.865 1.00 69.81 C ATOM 961 CD LYS H 87 32.190 3.862 9.377 0.00 77.58 C ATOM 962 CE LYS H 87 33.259 3.380 10.345 0.00 85.42 C ATOM 963 NZ LYS H 87 33.248 1.922 10.537 0.00 93.59 N ATOM 964 N ILE H 88 28.151 2.243 10.720 1.00 60.90 N ATOM 965 CA ILE H 88 27.659 1.428 11.836 1.00 51.84 C ATOM 966 C ILE H 88 28.570 1.414 13.071 1.00 52.00 C ATOM 967 O ILE H 88 29.758 1.178 13.010 1.00 57.06 O ATOM 968 CB ILE H 88 27.467 -0.027 11.413 1.00 48.63 C ATOM 969 CG1 ILE H 88 26.216 -0.264 10.636 1.00 43.63 C ATOM 970 CG2 ILE H 88 27.433 -0.927 12.626 1.00 51.21 C ATOM 971 CD1 ILE H 88 26.142 -1.739 10.244 1.00 40.22 C ATOM 972 N TYR H 89 27.995 1.545 14.250 1.00 45.07 N ATOM 973 CA TYR H 89 28.818 1.523 15.440 1.00 41.16 C ATOM 974 C TYR H 89 28.243 0.692 16.562 1.00 44.04 C ATOM 975 O TYR H 89 27.144 0.922 17.068 1.00 47.94 O ATOM 976 CB TYR H 89 28.982 2.936 15.995 1.00 54.89 C ATOM 977 CG TYR H 89 29.373 3.972 14.984 1.00 61.25 C ATOM 978 CD1 TYR H 89 28.433 4.623 14.179 1.00 63.11 C ATOM 979 CD2 TYR H 89 30.710 4.348 14.906 1.00 59.68 C ATOM 980 CE1 TYR H 89 28.833 5.622 13.289 1.00 68.73 C ATOM 981 CE2 TYR H 89 31.127 5.337 14.021 1.00 63.42 C ATOM 982 CZ TYR H 89 30.188 5.964 13.208 1.00 71.64 C ATOM 983 OH TYR H 89 30.632 6.904 12.325 1.00 80.08 O ATOM 984 N ILE H 90 29.080 -0.188 17.056 1.00 41.64 N ATOM 985 CA ILE H 90 28.705 -1.068 18.124 1.00 34.77 C ATOM 986 C ILE H 90 29.443 -0.774 19.415 1.00 42.10 C ATOM 987 O ILE H 90 30.542 -0.260 19.413 1.00 48.73 O ATOM 988 CB ILE H 90 28.958 -2.467 17.601 1.00 32.93 C ATOM 989 CG1 ILE H 90 28.310 -2.521 16.222 1.00 29.31 C ATOM 990 CG2 ILE H 90 28.394 -3.545 18.520 1.00 35.69 C ATOM 991 CD1 ILE H 90 28.232 -3.910 15.618 1.00 32.27 C ATOM 992 N HIS H 91 28.820 -1.070 20.547 1.00 34.39 N ATOM 993 CA HIS H 91 29.562 -0.854 21.755 1.00 31.33 C ATOM 994 C HIS H 91 30.731 -1.836 21.777 1.00 53.97 C ATOM 995 O HIS H 91 30.574 -3.075 21.607 1.00 56.15 O ATOM 996 CB HIS H 91 28.716 -1.020 22.985 1.00 33.70 C ATOM 997 CG HIS H 91 29.376 -0.436 24.189 1.00 41.30 C ATOM 998 ND1 HIS H 91 30.492 -1.012 24.772 1.00 44.80 N ATOM 999 CD2 HIS H 91 29.060 0.687 24.899 1.00 42.75 C ATOM 1000 CE1 HIS H 91 30.815 -0.243 25.812 1.00 41.24 C ATOM 1001 NE2 HIS H 91 29.966 0.772 25.924 1.00 40.66 N ATOM 1002 N PRO H 92 31.906 -1.226 21.933 1.00 53.70 N ATOM 1003 CA PRO H 92 33.225 -1.840 22.015 1.00 47.04 C ATOM 1004 C PRO H 92 33.306 -2.918 23.049 1.00 40.93 C ATOM 1005 O PRO H 92 34.043 -3.832 22.888 1.00 45.57 O ATOM 1006 CB PRO H 92 34.122 -0.739 22.516 1.00 44.62 C ATOM 1007 CG PRO H 92 33.298 0.542 22.525 1.00 45.35 C ATOM 1008 CD PRO H 92 31.986 0.239 21.857 1.00 43.01 C ATOM 1009 N ARG H 93 32.539 -2.739 24.107 1.00 30.03 N ATOM 1010 CA ARG H 93 32.467 -3.672 25.185 1.00 30.26 C ATOM 1011 C ARG H 93 31.173 -4.476 25.233 1.00 39.53 C ATOM 1012 O ARG H 93 30.744 -4.981 26.269 1.00 42.34 O ATOM 1013 CB ARG H 93 32.662 -2.943 26.441 1.00 42.14 C ATOM 1014 CG ARG H 93 34.063 -2.488 26.515 1.00 74.99 C ATOM 1015 CD ARG H 93 34.702 -3.048 27.761 1.00 77.59 C ATOM 1016 NE ARG H 93 34.406 -2.198 28.903 1.00 69.36 N ATOM 1017 CZ ARG H 93 34.490 -2.531 30.199 1.00 84.09 C ATOM 1018 NH1 ARG H 93 34.915 -3.726 30.640 1.00 48.21 N ATOM 1019 NH2 ARG H 93 34.149 -1.606 31.117 1.00 84.72 N ATOM 1020 N TYR H 94 30.550 -4.613 24.086 1.00 29.49 N ATOM 1021 CA TYR H 94 29.359 -5.419 23.966 1.00 30.43 C ATOM 1022 C TYR H 94 29.710 -6.900 24.265 1.00 50.62 C ATOM 1023 O TYR H 94 30.664 -7.424 23.711 1.00 58.17 O ATOM 1024 CB TYR H 94 28.916 -5.168 22.511 1.00 26.17 C ATOM 1025 CG TYR H 94 28.085 -6.295 21.949 1.00 33.60 C ATOM 1026 CD1 TYR H 94 27.037 -6.860 22.684 1.00 32.41 C ATOM 1027 CD2 TYR H 94 28.348 -6.770 20.664 1.00 31.14 C ATOM 1028 CE1 TYR H 94 26.262 -7.888 22.156 1.00 20.31 C ATOM 1029 CE2 TYR H 94 27.606 -7.813 20.123 1.00 24.91 C ATOM 1030 CZ TYR H 94 26.557 -8.356 20.865 1.00 52.73 C ATOM 1031 OH TYR H 94 25.796 -9.358 20.280 1.00 47.83 O ATOM 1032 N ASN H 95 29.013 -7.598 25.173 1.00 37.70 N ATOM 1033 CA ASN H 95 29.384 -8.969 25.507 1.00 30.15 C ATOM 1034 C ASN H 95 28.588 -10.036 24.764 1.00 41.25 C ATOM 1035 O ASN H 95 27.651 -10.627 25.343 1.00 40.30 O ATOM 1036 CB ASN H 95 29.143 -9.206 26.994 1.00 39.89 C ATOM 1037 CG ASN H 95 30.004 -10.332 27.584 1.00 62.55 C ATOM 1038 OD1 ASN H 95 30.423 -11.235 26.882 1.00 52.06 O ATOM 1039 ND2 ASN H 95 30.330 -10.252 28.876 1.00 55.30 N ATOM 1040 N TRP H 96 28.964 -10.335 23.516 1.00 37.79 N ATOM 1041 CA TRP H 96 28.218 -11.336 22.757 1.00 40.70 C ATOM 1042 C TRP H 96 28.499 -12.746 23.220 1.00 44.57 C ATOM 1043 O TRP H 96 27.681 -13.651 23.033 1.00 46.53 O ATOM 1044 CB TRP H 96 28.332 -11.234 21.214 1.00 36.75 C ATOM 1045 CG TRP H 96 29.739 -11.425 20.755 1.00 38.78 C ATOM 1046 CD1 TRP H 96 30.594 -10.432 20.413 1.00 38.04 C ATOM 1047 CD2 TRP H 96 30.483 -12.678 20.618 1.00 42.01 C ATOM 1048 NE1 TRP H 96 31.845 -10.962 20.068 1.00 32.98 N ATOM 1049 CE2 TRP H 96 31.816 -12.329 20.226 1.00 36.78 C ATOM 1050 CE3 TRP H 96 30.176 -14.057 20.795 1.00 45.05 C ATOM 1051 CZ2 TRP H 96 32.811 -13.315 20.002 1.00 35.38 C ATOM 1052 CZ3 TRP H 96 31.180 -15.033 20.578 1.00 38.27 C ATOM 1053 CH2 TRP H 96 32.453 -14.668 20.160 1.00 34.82 C ATOM 1054 N ARG H 97 29.667 -12.886 23.836 1.00 46.93 N ATOM 1055 CA ARG H 97 30.165 -14.164 24.330 1.00 49.47 C ATOM 1056 C ARG H 97 29.365 -14.750 25.475 1.00 59.67 C ATOM 1057 O ARG H 97 29.137 -15.950 25.539 1.00 65.73 O ATOM 1058 CB ARG H 97 31.650 -14.147 24.736 1.00 43.18 C ATOM 1059 CG ARG H 97 32.637 -13.505 23.734 1.00 61.92 C ATOM 1060 CD ARG H 97 34.085 -14.002 23.957 1.00 78.60 C ATOM 1061 NE ARG H 97 34.880 -14.331 22.748 1.00 78.05 N ATOM 1062 CZ ARG H 97 35.286 -15.566 22.348 1.00 77.26 C ATOM 1063 NH1 ARG H 97 34.978 -16.732 23.016 1.00 38.69 N ATOM 1064 NH2 ARG H 97 36.013 -15.625 21.226 1.00 74.90 N ATOM 1065 N GLU H 97A 28.948 -13.908 26.403 1.00 58.07 N ATOM 1066 CA GLU H 97A 28.279 -14.434 27.564 1.00 48.53 C ATOM 1067 C GLU H 97A 26.800 -14.141 27.724 1.00 49.98 C ATOM 1068 O GLU H 97A 26.005 -15.072 27.701 1.00 46.98 O ATOM 1069 CB GLU H 97A 29.045 -13.974 28.815 1.00 49.40 C ATOM 1070 CG GLU H 97A 28.461 -14.510 30.136 1.00 69.84 C ATOM 1071 CD GLU H 97A 29.083 -13.800 31.295 1.00 80.00 C ATOM 1072 OE1 GLU H 97A 30.081 -13.085 31.153 1.00 74.67 O ATOM 1073 OE2 GLU H 97A 28.416 -13.964 32.429 1.00 58.95 O ATOM 1074 N ASN H 98 26.451 -12.865 27.918 1.00 41.67 N ATOM 1075 CA ASN H 98 25.100 -12.494 28.273 1.00 33.90 C ATOM 1076 C ASN H 98 24.543 -11.240 27.631 1.00 43.20 C ATOM 1077 O ASN H 98 23.612 -10.628 28.181 1.00 41.63 O ATOM 1078 CB ASN H 98 25.168 -12.201 29.772 1.00 29.46 C ATOM 1079 CG ASN H 98 26.267 -11.188 30.051 1.00 37.39 C ATOM 1080 OD1 ASN H 98 26.869 -10.614 29.124 1.00 46.59 O ATOM 1081 ND2 ASN H 98 26.518 -10.929 31.334 1.00 44.95 N ATOM 1082 N LEU H 99 25.104 -10.831 26.498 1.00 44.21 N ATOM 1083 CA LEU H 99 24.608 -9.658 25.789 1.00 37.93 C ATOM 1084 C LEU H 99 24.689 -8.374 26.567 1.00 43.43 C ATOM 1085 O LEU H 99 23.921 -7.444 26.327 1.00 52.41 O ATOM 1086 CB LEU H 99 23.227 -9.822 25.115 1.00 38.15 C ATOM 1087 CG LEU H 99 23.223 -10.969 24.101 1.00 47.34 C ATOM 1088 CD1 LEU H 99 21.845 -11.158 23.492 1.00 53.01 C ATOM 1089 CD2 LEU H 99 24.244 -10.689 22.996 1.00 68.06 C ATOM 1090 N ASP H 100 25.656 -8.333 27.471 1.00 42.51 N ATOM 1091 CA ASP H 100 25.859 -7.109 28.194 1.00 38.27 C ATOM 1092 C ASP H 100 26.233 -6.036 27.178 1.00 42.21 C ATOM 1093 O ASP H 100 27.087 -6.268 26.282 1.00 29.91 O ATOM 1094 CB ASP H 100 26.929 -7.254 29.248 1.00 36.71 C ATOM 1095 CG ASP H 100 26.781 -6.176 30.234 1.00 41.60 C ATOM 1096 OD1 ASP H 100 25.749 -5.590 30.411 1.00 52.50 O ATOM 1097 OD2 ASP H 100 27.913 -5.774 30.673 1.00 38.47 O ATOM 1098 N ARG H 101 25.532 -4.897 27.280 1.00 34.36 N ATOM 1099 CA ARG H 101 25.746 -3.775 26.398 1.00 29.10 C ATOM 1100 C ARG H 101 25.310 -4.016 24.982 1.00 37.52 C ATOM 1101 O ARG H 101 25.962 -3.599 24.052 1.00 42.45 O ATOM 1102 CB ARG H 101 27.153 -3.239 26.438 1.00 31.67 C ATOM 1103 CG ARG H 101 27.540 -2.859 27.861 1.00 60.52 C ATOM 1104 CD ARG H 101 28.989 -2.416 27.943 1.00 69.70 C ATOM 1105 NE ARG H 101 29.400 -1.846 29.219 1.00 85.79 N ATOM 1106 CZ ARG H 101 30.149 -2.504 30.088 1.00 99.97 C ATOM 1107 NH1 ARG H 101 30.532 -3.789 29.869 1.00 61.29 N ATOM 1108 NH2 ARG H 101 30.501 -1.871 31.212 1.00 58.81 N ATOM 1109 N ASP H 102 24.147 -4.613 24.836 1.00 29.41 N ATOM 1110 CA ASP H 102 23.635 -4.825 23.506 1.00 26.42 C ATOM 1111 C ASP H 102 23.078 -3.510 22.922 1.00 42.19 C ATOM 1112 O ASP H 102 21.910 -3.128 23.088 1.00 34.55 O ATOM 1113 CB ASP H 102 22.533 -5.891 23.664 1.00 25.72 C ATOM 1114 CG ASP H 102 21.990 -6.403 22.358 1.00 35.49 C ATOM 1115 OD1 ASP H 102 22.470 -6.135 21.259 1.00 37.63 O ATOM 1116 OD2 ASP H 102 20.907 -7.121 22.525 1.00 41.21 O ATOM 1117 N ILE H 103 23.919 -2.723 22.266 1.00 40.73 N ATOM 1118 CA ILE H 103 23.470 -1.446 21.714 1.00 31.08 C ATOM 1119 C ILE H 103 24.347 -1.093 20.540 1.00 38.55 C ATOM 1120 O ILE H 103 25.524 -1.512 20.520 1.00 35.41 O ATOM 1121 CB ILE H 103 23.606 -0.340 22.710 1.00 25.35 C ATOM 1122 CG1 ILE H 103 23.011 0.995 22.227 1.00 28.44 C ATOM 1123 CG2 ILE H 103 25.054 -0.155 23.040 1.00 20.33 C ATOM 1124 CD1 ILE H 103 22.751 1.936 23.424 1.00 12.55 C ATOM 1125 N ALA H 104 23.752 -0.335 19.605 1.00 30.02 N ATOM 1126 CA ALA H 104 24.413 0.099 18.388 1.00 25.37 C ATOM 1127 C ALA H 104 23.742 1.324 17.791 1.00 39.72 C ATOM 1128 O ALA H 104 22.506 1.467 17.798 1.00 34.29 O ATOM 1129 CB ALA H 104 24.361 -1.007 17.345 1.00 22.66 C ATOM 1130 N LEU H 105 24.579 2.145 17.163 1.00 41.60 N ATOM 1131 CA LEU H 105 24.195 3.350 16.439 1.00 35.86 C ATOM 1132 C LEU H 105 24.355 3.252 14.918 1.00 44.25 C ATOM 1133 O LEU H 105 25.381 2.795 14.388 1.00 47.26 O ATOM 1134 CB LEU H 105 25.139 4.436 16.875 1.00 33.11 C ATOM 1135 CG LEU H 105 24.620 4.993 18.131 1.00 37.53 C ATOM 1136 CD1 LEU H 105 25.634 6.047 18.626 1.00 28.57 C ATOM 1137 CD2 LEU H 105 23.249 5.543 17.724 1.00 30.65 C ATOM 1138 N MET H 106 23.377 3.762 14.183 1.00 35.85 N ATOM 1139 CA MET H 106 23.497 3.784 12.740 1.00 39.60 C ATOM 1140 C MET H 106 23.257 5.163 12.162 1.00 49.16 C ATOM 1141 O MET H 106 22.317 5.845 12.543 1.00 47.69 O ATOM 1142 CB MET H 106 22.713 2.712 12.000 1.00 40.42 C ATOM 1143 CG MET H 106 22.421 1.521 12.889 1.00 47.43 C ATOM 1144 SD MET H 106 21.216 0.401 12.121 1.00 56.08 S ATOM 1145 CE MET H 106 22.126 -0.185 10.694 1.00 55.86 C ATOM 1146 N LYS H 107 24.152 5.553 11.255 1.00 42.13 N ATOM 1147 CA LYS H 107 24.121 6.844 10.609 1.00 38.17 C ATOM 1148 C LYS H 107 23.688 6.736 9.146 1.00 49.26 C ATOM 1149 O LYS H 107 24.275 5.992 8.348 1.00 44.64 O ATOM 1150 CB LYS H 107 25.446 7.541 10.825 1.00 39.88 C ATOM 1151 CG LYS H 107 25.719 8.659 9.831 1.00 56.81 C ATOM 1152 CD LYS H 107 26.129 9.996 10.457 1.00 37.24 C ATOM 1153 CE LYS H 107 26.745 10.955 9.457 0.00 47.74 C ATOM 1154 NZ LYS H 107 25.781 11.407 8.446 0.00 56.80 N ATOM 1155 N LEU H 108 22.601 7.448 8.805 1.00 49.59 N ATOM 1156 CA LEU H 108 21.975 7.349 7.491 1.00 49.54 C ATOM 1157 C LEU H 108 22.705 8.086 6.393 1.00 47.05 C ATOM 1158 O LEU H 108 23.259 9.122 6.703 1.00 34.05 O ATOM 1159 CB LEU H 108 20.527 7.846 7.529 1.00 48.36 C ATOM 1160 CG LEU H 108 19.668 7.326 8.672 1.00 40.21 C ATOM 1161 CD1 LEU H 108 18.328 8.037 8.578 1.00 36.81 C ATOM 1162 CD2 LEU H 108 19.412 5.834 8.475 1.00 33.10 C ATOM 1163 N LYS H 109 22.610 7.594 5.141 1.00 39.59 N ATOM 1164 CA LYS H 109 23.266 8.252 4.031 1.00 32.08 C ATOM 1165 C LYS H 109 22.815 9.688 3.962 1.00 55.95 C ATOM 1166 O LYS H 109 23.642 10.609 4.061 1.00 56.61 O ATOM 1167 CB LYS H 109 23.213 7.501 2.740 1.00 46.99 C ATOM 1168 CG LYS H 109 24.495 6.716 2.445 1.00 46.47 C ATOM 1169 CD LYS H 109 25.192 7.115 1.160 0.00 53.94 C ATOM 1170 CE LYS H 109 26.691 6.845 1.191 0.00 62.37 C ATOM 1171 NZ LYS H 109 27.019 5.446 1.509 0.00 70.82 N ATOM 1172 N LYS H 110 21.513 9.906 3.781 1.00 63.11 N ATOM 1173 CA LYS H 110 21.006 11.285 3.857 1.00 55.06 C ATOM 1174 C LYS H 110 19.997 11.420 4.976 1.00 51.61 C ATOM 1175 O LYS H 110 19.341 10.450 5.361 1.00 49.88 O ATOM 1176 CB LYS H 110 20.507 11.880 2.522 1.00 42.32 C ATOM 1177 CG LYS H 110 20.356 10.830 1.437 0.00 53.28 C ATOM 1178 CD LYS H 110 19.133 11.043 0.566 0.00 61.47 C ATOM 1179 CE LYS H 110 17.873 10.432 1.154 0.00 70.92 C ATOM 1180 NZ LYS H 110 16.834 10.186 0.144 0.00 79.62 N ATOM 1181 N PRO H 111 19.884 12.624 5.503 1.00 53.59 N ATOM 1182 CA PRO H 111 18.956 12.906 6.580 1.00 53.97 C ATOM 1183 C PRO H 111 17.529 12.784 6.068 1.00 60.38 C ATOM 1184 O PRO H 111 17.251 13.119 4.894 1.00 54.40 O ATOM 1185 CB PRO H 111 19.231 14.344 7.048 1.00 54.67 C ATOM 1186 CG PRO H 111 20.157 14.956 6.028 1.00 57.69 C ATOM 1187 CD PRO H 111 20.551 13.852 5.053 1.00 56.87 C ATOM 1188 N VAL H 112 16.655 12.269 6.946 1.00 56.68 N ATOM 1189 CA VAL H 112 15.262 12.020 6.607 1.00 51.46 C ATOM 1190 C VAL H 112 14.357 13.169 7.003 1.00 52.83 C ATOM 1191 O VAL H 112 14.549 13.832 8.015 1.00 57.99 O ATOM 1192 CB VAL H 112 14.770 10.688 7.173 1.00 52.59 C ATOM 1193 CG1 VAL H 112 14.849 10.730 8.684 1.00 51.58 C ATOM 1194 CG2 VAL H 112 13.337 10.435 6.780 1.00 52.73 C ATOM 1195 N ALA H 113 13.379 13.447 6.164 1.00 48.27 N ATOM 1196 CA ALA H 113 12.462 14.517 6.471 1.00 43.03 C ATOM 1197 C ALA H 113 11.253 13.975 7.210 1.00 43.12 C ATOM 1198 O ALA H 113 10.637 12.938 6.797 1.00 36.26 O ATOM 1199 CB ALA H 113 11.999 15.185 5.214 1.00 45.50 C ATOM 1200 N PHE H 114 10.957 14.719 8.284 1.00 38.05 N ATOM 1201 CA PHE H 114 9.826 14.483 9.166 1.00 39.10 C ATOM 1202 C PHE H 114 8.507 14.731 8.468 1.00 47.33 C ATOM 1203 O PHE H 114 8.407 15.552 7.533 1.00 49.70 O ATOM 1204 CB PHE H 114 9.864 15.274 10.472 1.00 34.03 C ATOM 1205 CG PHE H 114 11.135 15.056 11.176 1.00 38.15 C ATOM 1206 CD1 PHE H 114 11.884 13.901 10.915 1.00 44.19 C ATOM 1207 CD2 PHE H 114 11.622 15.994 12.085 1.00 41.37 C ATOM 1208 CE1 PHE H 114 13.100 13.663 11.560 1.00 37.60 C ATOM 1209 CE2 PHE H 114 12.844 15.775 12.734 1.00 42.82 C ATOM 1210 CZ PHE H 114 13.577 14.616 12.465 1.00 34.34 C ATOM 1211 N SER H 115 7.520 13.983 8.958 1.00 42.09 N ATOM 1212 CA SER H 115 6.172 13.990 8.446 1.00 31.19 C ATOM 1213 C SER H 115 5.233 13.577 9.563 1.00 44.76 C ATOM 1214 O SER H 115 5.661 13.474 10.720 1.00 54.65 O ATOM 1215 CB SER H 115 6.076 13.026 7.287 1.00 27.09 C ATOM 1216 OG SER H 115 5.851 11.708 7.820 1.00 44.97 O ATOM 1217 N ASP H 116 3.970 13.340 9.192 1.00 48.99 N ATOM 1218 CA ASP H 116 2.896 12.968 10.092 1.00 43.74 C ATOM 1219 C ASP H 116 3.115 11.567 10.583 1.00 42.46 C ATOM 1220 O ASP H 116 2.532 11.163 11.583 1.00 40.59 O ATOM 1221 CB ASP H 116 1.528 13.026 9.353 1.00 46.01 C ATOM 1222 CG ASP H 116 0.721 14.349 9.398 1.00 52.38 C ATOM 1223 OD1 ASP H 116 1.031 15.363 10.007 1.00 36.17 O ATOM 1224 OD2 ASP H 116 -0.332 14.310 8.630 1.00 65.13 O ATOM 1225 N TYR H 117 3.941 10.840 9.828 1.00 36.57 N ATOM 1226 CA TYR H 117 4.216 9.446 10.097 1.00 37.20 C ATOM 1227 C TYR H 117 5.646 9.152 10.503 1.00 41.96 C ATOM 1228 O TYR H 117 6.012 7.996 10.688 1.00 38.49 O ATOM 1229 CB TYR H 117 3.915 8.647 8.834 1.00 39.48 C ATOM 1230 CG TYR H 117 2.558 8.993 8.264 1.00 42.97 C ATOM 1231 CD1 TYR H 117 1.385 8.510 8.851 1.00 43.80 C ATOM 1232 CD2 TYR H 117 2.448 9.797 7.126 1.00 46.40 C ATOM 1233 CE1 TYR H 117 0.132 8.823 8.323 1.00 49.69 C ATOM 1234 CE2 TYR H 117 1.204 10.144 6.591 1.00 40.94 C ATOM 1235 CZ TYR H 117 0.046 9.658 7.204 1.00 60.95 C ATOM 1236 OH TYR H 117 -1.194 9.988 6.697 1.00 40.61 O ATOM 1237 N ILE H 118 6.453 10.196 10.597 1.00 35.55 N ATOM 1238 CA ILE H 118 7.885 10.083 10.889 1.00 33.23 C ATOM 1239 C ILE H 118 8.357 11.218 11.793 1.00 44.75 C ATOM 1240 O ILE H 118 8.282 12.390 11.373 1.00 36.96 O ATOM 1241 CB ILE H 118 8.623 10.193 9.567 1.00 33.51 C ATOM 1242 CG1 ILE H 118 8.350 8.983 8.710 1.00 39.27 C ATOM 1243 CG2 ILE H 118 10.100 10.415 9.743 1.00 21.63 C ATOM 1244 CD1 ILE H 118 8.762 9.194 7.252 1.00 20.37 C ATOM 1245 N HIS H 119 8.860 10.847 12.992 1.00 38.29 N ATOM 1246 CA HIS H 119 9.283 11.754 14.060 1.00 31.84 C ATOM 1247 C HIS H 119 10.080 10.990 15.111 1.00 32.34 C ATOM 1248 O HIS H 119 9.765 9.852 15.449 1.00 44.01 O ATOM 1249 CB HIS H 119 7.985 12.355 14.704 1.00 35.31 C ATOM 1250 CG HIS H 119 8.140 13.627 15.441 1.00 38.73 C ATOM 1251 ND1 HIS H 119 8.204 14.854 14.769 1.00 44.81 N ATOM 1252 CD2 HIS H 119 8.188 13.863 16.764 1.00 33.05 C ATOM 1253 CE1 HIS H 119 8.390 15.784 15.691 1.00 41.21 C ATOM 1254 NE2 HIS H 119 8.394 15.233 16.917 1.00 37.25 N ATOM 1255 N PRO H 120 11.129 11.617 15.633 1.00 33.36 N ATOM 1256 CA PRO H 120 12.016 10.987 16.600 1.00 28.88 C ATOM 1257 C PRO H 120 11.557 11.055 18.048 1.00 41.27 C ATOM 1258 O PRO H 120 10.698 11.854 18.478 1.00 47.78 O ATOM 1259 CB PRO H 120 13.337 11.757 16.477 1.00 32.55 C ATOM 1260 CG PRO H 120 13.002 13.129 15.864 1.00 30.11 C ATOM 1261 CD PRO H 120 11.622 12.983 15.255 1.00 31.29 C ATOM 1262 N VAL H 121 12.200 10.221 18.845 1.00 32.00 N ATOM 1263 CA VAL H 121 11.883 10.114 20.252 1.00 28.82 C ATOM 1264 C VAL H 121 12.966 10.788 21.079 1.00 28.62 C ATOM 1265 O VAL H 121 13.995 11.181 20.570 1.00 39.52 O ATOM 1266 CB VAL H 121 11.633 8.612 20.628 1.00 35.55 C ATOM 1267 CG1 VAL H 121 12.893 7.746 20.703 1.00 32.89 C ATOM 1268 CG2 VAL H 121 10.884 8.511 21.924 1.00 34.52 C ATOM 1269 N CYS H 122 12.744 10.938 22.366 1.00 24.25 N ATOM 1270 CA CYS H 122 13.739 11.553 23.203 1.00 25.99 C ATOM 1271 C CYS H 122 14.588 10.553 23.938 1.00 31.40 C ATOM 1272 O CYS H 122 14.135 9.465 24.209 1.00 36.71 O ATOM 1273 CB CYS H 122 13.016 12.398 24.272 1.00 33.68 C ATOM 1274 SG CYS H 122 11.854 13.597 23.555 1.00 39.74 S ATOM 1275 N LEU H 123 15.782 10.963 24.369 1.00 39.34 N ATOM 1276 CA LEU H 123 16.583 10.072 25.210 1.00 38.55 C ATOM 1277 C LEU H 123 16.563 10.613 26.604 1.00 34.16 C ATOM 1278 O LEU H 123 16.623 11.837 26.738 1.00 34.76 O ATOM 1279 CB LEU H 123 18.020 9.784 24.806 1.00 36.84 C ATOM 1280 CG LEU H 123 18.123 9.358 23.365 1.00 36.94 C ATOM 1281 CD1 LEU H 123 19.592 9.236 23.046 1.00 37.22 C ATOM 1282 CD2 LEU H 123 17.351 8.047 23.122 1.00 35.24 C ATOM 1283 N PRO H 124 16.399 9.693 27.567 1.00 30.48 N ATOM 1284 CA PRO H 124 16.260 10.019 28.974 1.00 28.15 C ATOM 1285 C PRO H 124 17.439 10.833 29.529 1.00 46.86 C ATOM 1286 O PRO H 124 18.538 10.882 28.986 1.00 43.76 O ATOM 1287 CB PRO H 124 16.116 8.667 29.707 1.00 26.27 C ATOM 1288 CG PRO H 124 16.794 7.660 28.759 1.00 36.01 C ATOM 1289 CD PRO H 124 16.859 8.287 27.361 1.00 23.88 C ATOM 1290 N ASP H 125 17.181 11.502 30.643 1.00 45.50 N ATOM 1291 CA ASP H 125 18.160 12.265 31.390 1.00 38.30 C ATOM 1292 C ASP H 125 18.189 11.633 32.790 1.00 51.92 C ATOM 1293 O ASP H 125 17.259 10.815 33.126 1.00 50.18 O ATOM 1294 CB ASP H 125 17.837 13.769 31.413 1.00 41.09 C ATOM 1295 CG ASP H 125 16.356 14.042 31.492 1.00 64.92 C ATOM 1296 OD1 ASP H 125 15.628 13.510 32.305 1.00 65.09 O ATOM 1297 OD2 ASP H 125 15.922 14.823 30.534 1.00 80.57 O ATOM 1298 N ARG H 126 19.252 11.911 33.577 1.00 39.56 N ATOM 1299 CA ARG H 126 19.374 11.260 34.881 1.00 43.00 C ATOM 1300 C ARG H 126 18.109 11.335 35.729 1.00 56.60 C ATOM 1301 O ARG H 126 17.723 10.392 36.445 1.00 61.02 O ATOM 1302 CB ARG H 126 20.609 11.668 35.689 1.00 50.92 C ATOM 1303 CG ARG H 126 20.737 11.008 37.056 0.00 59.91 C ATOM 1304 CD ARG H 126 22.140 11.200 37.628 0.00 69.37 C ATOM 1305 NE ARG H 126 22.213 11.009 39.075 0.00 76.42 N ATOM 1306 CZ ARG H 126 23.227 11.458 39.816 0.00 89.38 C ATOM 1307 NH1 ARG H 126 24.250 12.108 39.289 0.00 76.52 N ATOM 1308 NH2 ARG H 126 23.205 11.237 41.127 0.00 75.93 N ATOM 1309 N GLU H 127 17.421 12.461 35.614 1.00 45.46 N ATOM 1310 CA GLU H 127 16.247 12.683 36.417 1.00 42.12 C ATOM 1311 C GLU H 127 15.035 11.916 35.923 1.00 50.71 C ATOM 1312 O GLU H 127 14.434 11.157 36.665 1.00 56.30 O ATOM 1313 CB GLU H 127 16.024 14.177 36.501 1.00 45.30 C ATOM 1314 CG GLU H 127 16.783 14.944 35.374 1.00 82.54 C ATOM 1315 CD GLU H 127 18.261 15.071 35.598 0.00 91.71 C ATOM 1316 OE1 GLU H 127 18.836 14.607 36.568 0.00 82.86 O ATOM 1317 OE2 GLU H 127 18.860 15.723 34.636 0.00 82.60 O ATOM 1318 N THR H 128 14.701 12.116 34.651 1.00 44.06 N ATOM 1319 CA THR H 128 13.595 11.423 34.030 1.00 37.14 C ATOM 1320 C THR H 128 13.746 9.947 34.363 1.00 39.28 C ATOM 1321 O THR H 128 12.850 9.222 34.826 1.00 36.04 O ATOM 1322 CB THR H 128 13.750 11.577 32.495 1.00 54.31 C ATOM 1323 OG1 THR H 128 13.613 12.912 32.087 1.00 55.80 O ATOM 1324 CG2 THR H 128 12.733 10.733 31.771 1.00 59.09 C ATOM 1325 N ALA H 129 14.962 9.541 34.108 1.00 34.06 N ATOM 1326 CA ALA H 129 15.371 8.186 34.281 1.00 43.02 C ATOM 1327 C ALA H 129 15.198 7.748 35.719 1.00 45.11 C ATOM 1328 O ALA H 129 14.755 6.646 36.065 1.00 45.15 O ATOM 1329 CB ALA H 129 16.810 8.150 33.849 1.00 51.02 C ATOM 1330 N ALA H 129A 15.556 8.641 36.589 1.00 39.11 N ATOM 1331 CA ALA H 129A 15.386 8.269 37.962 1.00 45.35 C ATOM 1332 C ALA H 129A 13.915 8.152 38.325 1.00 50.52 C ATOM 1333 O ALA H 129A 13.455 7.190 38.950 1.00 59.37 O ATOM 1334 CB ALA H 129A 16.085 9.288 38.826 1.00 50.25 C ATOM 1335 N SER H 129B 13.175 9.172 37.935 1.00 41.74 N ATOM 1336 CA SER H 129B 11.764 9.224 38.238 1.00 43.58 C ATOM 1337 C SER H 129B 10.885 8.171 37.582 1.00 45.83 C ATOM 1338 O SER H 129B 9.949 7.732 38.211 1.00 50.95 O ATOM 1339 CB SER H 129B 11.142 10.623 38.101 1.00 48.09 C ATOM 1340 OG SER H 129B 11.482 11.215 36.862 1.00 79.48 O ATOM 1341 N LEU H 129C 11.143 7.781 36.338 1.00 34.12 N ATOM 1342 CA LEU H 129C 10.257 6.830 35.688 1.00 33.50 C ATOM 1343 C LEU H 129C 10.674 5.376 35.780 1.00 48.21 C ATOM 1344 O LEU H 129C 9.825 4.462 35.818 1.00 45.06 O ATOM 1345 CB LEU H 129C 10.087 7.195 34.237 1.00 32.62 C ATOM 1346 CG LEU H 129C 9.359 8.502 34.132 1.00 45.33 C ATOM 1347 CD1 LEU H 129C 8.823 8.676 32.722 1.00 42.07 C ATOM 1348 CD2 LEU H 129C 8.207 8.484 35.127 1.00 49.77 C ATOM 1349 N LEU H 130 11.981 5.151 35.757 1.00 50.25 N ATOM 1350 CA LEU H 130 12.513 3.788 35.830 1.00 50.97 C ATOM 1351 C LEU H 130 12.236 3.076 37.181 1.00 53.27 C ATOM 1352 O LEU H 130 13.139 2.820 38.008 1.00 40.85 O ATOM 1353 CB LEU H 130 14.004 3.808 35.429 1.00 48.12 C ATOM 1354 CG LEU H 130 14.327 3.078 34.129 1.00 52.14 C ATOM 1355 CD1 LEU H 130 15.114 1.795 34.408 1.00 47.46 C ATOM 1356 CD2 LEU H 130 13.052 2.675 33.428 1.00 65.34 C ATOM 1357 N GLN H 131 10.962 2.742 37.431 1.00 51.99 N ATOM 1358 CA GLN H 131 10.568 2.108 38.682 1.00 46.56 C ATOM 1359 C GLN H 131 9.589 0.936 38.485 1.00 52.85 C ATOM 1360 O GLN H 131 8.777 0.922 37.545 1.00 54.52 O ATOM 1361 CB GLN H 131 10.062 3.184 39.730 1.00 49.50 C ATOM 1362 CG GLN H 131 11.210 3.885 40.540 1.00 74.42 C ATOM 1363 CD GLN H 131 10.879 5.263 41.125 1.00 48.29 C ATOM 1364 OE1 GLN H 131 9.718 5.564 41.427 0.00 43.70 O ATOM 1365 NE2 GLN H 131 11.911 6.086 41.289 0.00 40.35 N ATOM 1366 N ALA H 132 9.692 -0.059 39.385 1.00 52.14 N ATOM 1367 CA ALA H 132 8.922 -1.302 39.380 1.00 46.09 C ATOM 1368 C ALA H 132 7.427 -1.065 39.441 1.00 45.61 C ATOM 1369 O ALA H 132 6.980 -0.268 40.252 1.00 57.24 O ATOM 1370 CB ALA H 132 9.412 -2.306 40.430 1.00 42.08 C ATOM 1371 N GLY H 133 6.681 -1.765 38.572 1.00 34.80 N ATOM 1372 CA GLY H 133 5.247 -1.629 38.484 1.00 28.63 C ATOM 1373 C GLY H 133 4.868 -0.535 37.493 1.00 43.16 C ATOM 1374 O GLY H 133 3.709 -0.390 37.129 1.00 48.65 O ATOM 1375 N TYR H 134 5.843 0.272 37.083 1.00 37.74 N ATOM 1376 CA TYR H 134 5.565 1.304 36.104 1.00 34.29 C ATOM 1377 C TYR H 134 5.543 0.667 34.736 1.00 41.29 C ATOM 1378 O TYR H 134 6.461 -0.121 34.410 1.00 39.37 O ATOM 1379 CB TYR H 134 6.642 2.416 36.091 1.00 35.90 C ATOM 1380 CG TYR H 134 6.522 3.358 37.239 1.00 42.07 C ATOM 1381 CD1 TYR H 134 5.999 2.906 38.455 1.00 45.42 C ATOM 1382 CD2 TYR H 134 6.917 4.695 37.127 1.00 42.49 C ATOM 1383 CE1 TYR H 134 5.866 3.758 39.556 1.00 28.92 C ATOM 1384 CE2 TYR H 134 6.792 5.570 38.211 1.00 37.89 C ATOM 1385 CZ TYR H 134 6.271 5.089 39.425 1.00 56.25 C ATOM 1386 OH TYR H 134 6.119 5.918 40.520 1.00 60.32 O ATOM 1387 N LYS H 135 4.561 1.086 33.936 1.00 29.67 N ATOM 1388 CA LYS H 135 4.408 0.592 32.584 1.00 26.58 C ATOM 1389 C LYS H 135 5.043 1.381 31.458 1.00 38.57 C ATOM 1390 O LYS H 135 5.019 2.611 31.432 1.00 39.80 O ATOM 1391 CB LYS H 135 2.994 0.271 32.243 1.00 32.94 C ATOM 1392 CG LYS H 135 2.514 -0.876 33.082 1.00 43.11 C ATOM 1393 CD LYS H 135 1.096 -1.170 32.758 1.00 31.55 C ATOM 1394 CE LYS H 135 0.333 -1.701 33.932 1.00 32.14 C ATOM 1395 NZ LYS H 135 -1.086 -1.910 33.602 1.00 65.01 N ATOM 1396 N GLY H 136 5.563 0.597 30.505 1.00 27.76 N ATOM 1397 CA GLY H 136 6.169 1.078 29.288 1.00 23.57 C ATOM 1398 C GLY H 136 5.512 0.407 28.106 1.00 29.20 C ATOM 1399 O GLY H 136 4.723 -0.497 28.250 1.00 36.03 O ATOM 1400 N ARG H 137 5.860 0.851 26.924 1.00 27.59 N ATOM 1401 CA ARG H 137 5.253 0.308 25.745 1.00 28.36 C ATOM 1402 C ARG H 137 6.278 -0.156 24.741 1.00 42.51 C ATOM 1403 O ARG H 137 7.280 0.586 24.486 1.00 50.04 O ATOM 1404 CB ARG H 137 4.378 1.371 25.079 1.00 21.37 C ATOM 1405 CG ARG H 137 3.947 0.959 23.680 1.00 29.50 C ATOM 1406 CD ARG H 137 3.150 2.037 22.920 1.00 70.45 C ATOM 1407 NE ARG H 137 1.864 2.384 23.537 1.00 31.04 N ATOM 1408 CZ ARG H 137 1.184 3.543 23.398 1.00 47.97 C ATOM 1409 NH1 ARG H 137 1.576 4.564 22.630 1.00 26.83 N ATOM 1410 NH2 ARG H 137 0.045 3.658 24.049 1.00 23.35 N ATOM 1411 N VAL H 138 5.958 -1.337 24.159 1.00 30.73 N ATOM 1412 CA VAL H 138 6.752 -1.994 23.122 1.00 25.06 C ATOM 1413 C VAL H 138 6.012 -2.144 21.807 1.00 24.17 C ATOM 1414 O VAL H 138 4.806 -2.404 21.818 1.00 29.67 O ATOM 1415 CB VAL H 138 7.191 -3.327 23.636 1.00 27.10 C ATOM 1416 CG1 VAL H 138 8.420 -3.771 22.911 1.00 18.82 C ATOM 1417 CG2 VAL H 138 7.471 -3.202 25.133 1.00 28.90 C ATOM 1418 N THR H 139 6.721 -1.966 20.693 1.00 22.19 N ATOM 1419 CA THR H 139 6.095 -2.087 19.378 1.00 21.77 C ATOM 1420 C THR H 139 6.942 -2.883 18.419 1.00 38.83 C ATOM 1421 O THR H 139 8.125 -3.060 18.626 1.00 40.95 O ATOM 1422 CB THR H 139 5.698 -0.758 18.768 1.00 38.04 C ATOM 1423 OG1 THR H 139 6.859 0.083 18.771 1.00 32.46 O ATOM 1424 CG2 THR H 139 4.631 -0.141 19.656 1.00 44.12 C ATOM 1425 N GLY H 140 6.329 -3.385 17.364 1.00 39.76 N ATOM 1426 CA GLY H 140 7.098 -4.185 16.455 1.00 33.18 C ATOM 1427 C GLY H 140 6.226 -5.055 15.572 1.00 44.29 C ATOM 1428 O GLY H 140 5.049 -5.267 15.817 1.00 40.51 O ATOM 1429 N TRP H 141 6.893 -5.583 14.550 1.00 48.23 N ATOM 1430 CA TRP H 141 6.357 -6.407 13.494 1.00 36.52 C ATOM 1431 C TRP H 141 6.783 -7.866 13.626 1.00 37.44 C ATOM 1432 O TRP H 141 6.729 -8.595 12.646 1.00 47.58 O ATOM 1433 CB TRP H 141 6.861 -5.808 12.136 1.00 28.97 C ATOM 1434 CG TRP H 141 6.147 -4.578 11.679 1.00 24.70 C ATOM 1435 CD1 TRP H 141 4.845 -4.472 11.264 1.00 30.55 C ATOM 1436 CD2 TRP H 141 6.695 -3.284 11.536 1.00 27.26 C ATOM 1437 NE1 TRP H 141 4.531 -3.182 10.892 1.00 34.46 N ATOM 1438 CE2 TRP H 141 5.669 -2.429 11.021 1.00 36.91 C ATOM 1439 CE3 TRP H 141 7.961 -2.734 11.818 1.00 29.12 C ATOM 1440 CZ2 TRP H 141 5.907 -1.058 10.746 1.00 41.00 C ATOM 1441 CZ3 TRP H 141 8.177 -1.365 11.521 1.00 29.12 C ATOM 1442 CH2 TRP H 141 7.171 -0.536 11.029 1.00 31.24 C ATOM 1443 N GLY H 142 7.220 -8.275 14.818 1.00 29.45 N ATOM 1444 CA GLY H 142 7.653 -9.644 15.109 1.00 29.71 C ATOM 1445 C GLY H 142 6.485 -10.636 15.266 1.00 40.49 C ATOM 1446 O GLY H 142 5.309 -10.336 15.046 1.00 39.08 O ATOM 1447 N ASN H 143 6.815 -11.867 15.624 1.00 36.52 N ATOM 1448 CA ASN H 143 5.813 -12.908 15.725 1.00 38.80 C ATOM 1449 C ASN H 143 4.838 -12.638 16.826 1.00 44.57 C ATOM 1450 O ASN H 143 5.204 -11.990 17.829 1.00 40.35 O ATOM 1451 CB ASN H 143 6.384 -14.309 16.015 1.00 47.98 C ATOM 1452 CG ASN H 143 7.453 -14.771 15.085 1.00 62.25 C ATOM 1453 OD1 ASN H 143 8.310 -15.608 15.452 1.00 80.00 O ATOM 1454 ND2 ASN H 143 7.405 -14.226 13.879 1.00 35.27 N ATOM 1455 N LEU H 144 3.672 -13.272 16.633 1.00 44.68 N ATOM 1456 CA LEU H 144 2.503 -13.174 17.491 1.00 45.66 C ATOM 1457 C LEU H 144 2.377 -14.325 18.458 1.00 47.10 C ATOM 1458 O LEU H 144 1.578 -14.330 19.392 1.00 51.99 O ATOM 1459 CB LEU H 144 1.187 -13.117 16.646 1.00 46.28 C ATOM 1460 CG LEU H 144 1.116 -11.961 15.618 1.00 51.72 C ATOM 1461 CD1 LEU H 144 0.204 -12.256 14.407 1.00 43.57 C ATOM 1462 CD2 LEU H 144 0.653 -10.710 16.327 1.00 47.74 C ATOM 1463 N LYS H 145 3.141 -15.348 18.199 1.00 45.69 N ATOM 1464 CA LYS H 145 3.027 -16.552 18.996 1.00 46.97 C ATOM 1465 C LYS H 145 4.418 -17.149 19.043 1.00 51.97 C ATOM 1466 O LYS H 145 5.066 -17.059 18.029 1.00 40.17 O ATOM 1467 CB LYS H 145 2.125 -17.471 18.165 1.00 50.21 C ATOM 1468 CG LYS H 145 1.135 -18.322 18.934 0.00 64.14 C ATOM 1469 CD LYS H 145 0.176 -19.057 18.004 0.00 74.45 C ATOM 1470 CE LYS H 145 -1.288 -18.764 18.294 0.00 85.64 C ATOM 1471 NZ LYS H 145 -1.797 -17.586 17.575 0.00 94.92 N ATOM 1472 N GLU H 146 4.861 -17.729 20.181 1.00 62.94 N ATOM 1473 CA GLU H 146 6.192 -18.342 20.347 1.00 62.71 C ATOM 1474 C GLU H 146 6.647 -19.326 19.257 1.00 81.39 C ATOM 1475 O GLU H 146 7.729 -19.159 18.691 1.00 83.49 O ATOM 1476 CB GLU H 146 6.466 -18.887 21.771 1.00 61.63 C ATOM 1477 CG GLU H 146 7.649 -19.891 21.805 1.00 46.82 C ATOM 1478 CD GLU H 146 8.257 -20.099 23.179 1.00 69.11 C ATOM 1479 OE1 GLU H 146 7.874 -19.531 24.196 1.00 41.76 O ATOM 1480 OE2 GLU H 146 9.260 -20.948 23.159 1.00 49.72 O ATOM 1481 N THR H 147 5.838 -20.365 18.999 1.00 87.51 N ATOM 1482 CA THR H 147 6.058 -21.376 17.960 1.00 86.75 C ATOM 1483 C THR H 147 4.733 -21.630 17.260 1.00 91.69 C ATOM 1484 O THR H 147 3.676 -21.622 17.906 1.00 89.59 O ATOM 1485 CB THR H 147 6.631 -22.699 18.509 0.00 80.06 C ATOM 1486 OG1 THR H 147 7.960 -22.879 18.059 0.00 76.48 O ATOM 1487 CG2 THR H 147 5.763 -23.869 18.051 0.00 75.50 C ATOM 1488 N TRP H 148 4.784 -21.854 15.951 0.00 83.67 N ATOM 1489 CA TRP H 148 3.592 -22.089 15.154 0.00 51.28 C ATOM 1490 C TRP H 148 3.934 -22.972 13.964 0.00 75.33 C ATOM 1491 O TRP H 148 3.680 -24.175 13.971 0.00 35.51 O ATOM 1492 CB TRP H 148 2.956 -20.768 14.675 0.00 49.09 C ATOM 1493 CG TRP H 148 3.645 -20.182 13.481 0.00 49.40 C ATOM 1494 CD1 TRP H 148 3.304 -20.377 12.183 0.00 52.21 C ATOM 1495 CD2 TRP H 148 4.788 -19.318 13.470 0.00 49.01 C ATOM 1496 NE1 TRP H 148 4.155 -19.693 11.359 0.00 51.51 N ATOM 1497 CE2 TRP H 148 5.079 -19.033 12.121 0.00 52.82 C ATOM 1498 CE3 TRP H 148 5.587 -18.764 14.465 0.00 50.10 C ATOM 1499 CZ2 TRP H 148 6.144 -18.211 11.757 0.00 52.04 C ATOM 1500 CZ3 TRP H 148 6.639 -17.950 14.106 0.00 51.46 C ATOM 1501 CH2 TRP H 148 6.913 -17.678 12.766 0.00 52.08 C ATOM 1502 N GLY H 150 -0.120 -16.513 12.531 1.00 71.91 N ATOM 1503 CA GLY H 150 1.282 -16.576 12.123 1.00 74.50 C ATOM 1504 C GLY H 150 2.050 -15.286 12.424 1.00 73.33 C ATOM 1505 O GLY H 150 2.526 -15.077 13.534 1.00 64.58 O ATOM 1506 N GLN H 151 2.209 -14.437 11.403 1.00 69.53 N ATOM 1507 CA GLN H 151 2.863 -13.140 11.513 1.00 63.82 C ATOM 1508 C GLN H 151 1.811 -12.018 11.446 1.00 72.38 C ATOM 1509 O GLN H 151 0.650 -12.226 11.054 1.00 78.41 O ATOM 1510 CB GLN H 151 3.943 -12.941 10.422 1.00 63.38 C ATOM 1511 CG GLN H 151 5.327 -13.548 10.724 1.00 70.47 C ATOM 1512 CD GLN H 151 6.091 -13.976 9.504 0.00 76.63 C ATOM 1513 OE1 GLN H 151 5.676 -14.892 8.782 0.00 70.37 O ATOM 1514 NE2 GLN H 151 7.220 -13.317 9.267 0.00 67.00 N ATOM 1515 N PRO H 152 2.179 -10.808 11.850 1.00 57.40 N ATOM 1516 CA PRO H 152 1.203 -9.745 11.831 1.00 51.07 C ATOM 1517 C PRO H 152 1.137 -9.034 10.491 1.00 44.49 C ATOM 1518 O PRO H 152 2.067 -9.053 9.689 1.00 45.34 O ATOM 1519 CB PRO H 152 1.578 -8.749 12.950 1.00 46.60 C ATOM 1520 CG PRO H 152 2.913 -9.187 13.516 1.00 50.48 C ATOM 1521 CD PRO H 152 3.287 -10.479 12.797 1.00 54.37 C ATOM 1522 N SER H 153 0.032 -8.329 10.335 1.00 36.17 N ATOM 1523 CA SER H 153 -0.315 -7.541 9.162 1.00 45.54 C ATOM 1524 C SER H 153 0.166 -6.109 9.287 1.00 48.78 C ATOM 1525 O SER H 153 0.597 -5.481 8.329 1.00 49.88 O ATOM 1526 CB SER H 153 -1.843 -7.520 8.971 1.00 67.47 C ATOM 1527 OG SER H 153 -2.183 -7.438 7.597 1.00 84.98 O ATOM 1528 N VAL H 154 0.024 -5.576 10.490 1.00 39.55 N ATOM 1529 CA VAL H 154 0.432 -4.214 10.755 1.00 43.52 C ATOM 1530 C VAL H 154 1.223 -4.135 12.058 1.00 52.35 C ATOM 1531 O VAL H 154 1.313 -5.112 12.804 1.00 43.54 O ATOM 1532 CB VAL H 154 -0.776 -3.248 10.745 1.00 44.57 C ATOM 1533 CG1 VAL H 154 -1.550 -3.365 9.447 1.00 39.79 C ATOM 1534 CG2 VAL H 154 -1.711 -3.458 11.938 1.00 42.34 C ATOM 1535 N LEU H 155 1.810 -2.975 12.331 1.00 46.88 N ATOM 1536 CA LEU H 155 2.550 -2.801 13.559 1.00 34.93 C ATOM 1537 C LEU H 155 1.685 -3.165 14.761 1.00 35.15 C ATOM 1538 O LEU H 155 0.519 -2.785 14.829 1.00 35.96 O ATOM 1539 CB LEU H 155 2.960 -1.354 13.632 1.00 27.48 C ATOM 1540 CG LEU H 155 4.013 -1.156 14.670 1.00 26.46 C ATOM 1541 CD1 LEU H 155 5.314 -1.610 14.084 1.00 30.44 C ATOM 1542 CD2 LEU H 155 4.117 0.309 14.927 1.00 27.30 C ATOM 1543 N GLN H 156 2.229 -3.920 15.712 1.00 31.54 N ATOM 1544 CA GLN H 156 1.496 -4.330 16.918 1.00 32.32 C ATOM 1545 C GLN H 156 2.004 -3.587 18.141 1.00 42.67 C ATOM 1546 O GLN H 156 3.162 -3.229 18.156 1.00 36.05 O ATOM 1547 CB GLN H 156 1.742 -5.811 17.268 1.00 35.84 C ATOM 1548 CG GLN H 156 1.277 -6.769 16.192 1.00 51.81 C ATOM 1549 CD GLN H 156 -0.216 -6.709 16.129 1.00 56.65 C ATOM 1550 OE1 GLN H 156 -0.781 -6.176 15.171 1.00 49.79 O ATOM 1551 NE2 GLN H 156 -0.851 -7.082 17.239 1.00 36.42 N ATOM 1552 N VAL H 157 1.194 -3.457 19.202 1.00 41.00 N ATOM 1553 CA VAL H 157 1.671 -2.767 20.392 1.00 37.44 C ATOM 1554 C VAL H 157 1.343 -3.454 21.711 1.00 37.17 C ATOM 1555 O VAL H 157 0.303 -4.046 21.841 1.00 42.90 O ATOM 1556 CB VAL H 157 1.142 -1.323 20.390 1.00 41.78 C ATOM 1557 CG1 VAL H 157 -0.363 -1.253 20.193 1.00 42.54 C ATOM 1558 CG2 VAL H 157 1.526 -0.558 21.645 1.00 38.82 C ATOM 1559 N VAL H 158 2.182 -3.322 22.734 1.00 33.19 N ATOM 1560 CA VAL H 158 1.841 -3.881 24.046 1.00 29.30 C ATOM 1561 C VAL H 158 2.510 -3.110 25.180 1.00 24.95 C ATOM 1562 O VAL H 158 3.661 -2.722 25.080 1.00 41.48 O ATOM 1563 CB VAL H 158 2.150 -5.379 24.186 1.00 35.44 C ATOM 1564 CG1 VAL H 158 3.608 -5.582 24.654 1.00 30.41 C ATOM 1565 CG2 VAL H 158 1.220 -5.990 25.220 1.00 33.99 C ATOM 1566 N ASN H 159 1.780 -2.883 26.260 1.00 24.72 N ATOM 1567 CA ASN H 159 2.307 -2.141 27.409 1.00 28.62 C ATOM 1568 C ASN H 159 2.614 -3.089 28.546 1.00 30.56 C ATOM 1569 O ASN H 159 1.814 -3.958 28.856 1.00 38.86 O ATOM 1570 CB ASN H 159 1.348 -0.994 27.867 1.00 32.79 C ATOM 1571 CG ASN H 159 0.673 -0.282 26.683 1.00 40.75 C ATOM 1572 OD1 ASN H 159 1.308 -0.047 25.656 1.00 41.08 O ATOM 1573 ND2 ASN H 159 -0.639 -0.078 26.752 1.00 33.90 N ATOM 1574 N LEU H 160 3.777 -2.950 29.150 1.00 28.73 N ATOM 1575 CA LEU H 160 4.206 -3.876 30.190 1.00 32.74 C ATOM 1576 C LEU H 160 4.712 -3.180 31.426 1.00 32.50 C ATOM 1577 O LEU H 160 5.158 -2.075 31.353 1.00 39.46 O ATOM 1578 CB LEU H 160 5.303 -4.839 29.651 1.00 31.69 C ATOM 1579 CG LEU H 160 4.836 -5.505 28.387 1.00 36.29 C ATOM 1580 CD1 LEU H 160 5.976 -5.793 27.446 1.00 41.54 C ATOM 1581 CD2 LEU H 160 4.077 -6.758 28.721 1.00 31.45 C ATOM 1582 N PRO H 161 4.698 -3.876 32.548 1.00 38.17 N ATOM 1583 CA PRO H 161 5.190 -3.291 33.790 1.00 30.63 C ATOM 1584 C PRO H 161 6.655 -3.645 34.007 1.00 38.18 C ATOM 1585 O PRO H 161 7.090 -4.735 33.666 1.00 40.45 O ATOM 1586 CB PRO H 161 4.437 -4.037 34.894 1.00 29.99 C ATOM 1587 CG PRO H 161 3.711 -5.262 34.256 1.00 35.21 C ATOM 1588 CD PRO H 161 3.773 -5.067 32.750 1.00 34.91 C ATOM 1589 N ILE H 162 7.394 -2.738 34.616 1.00 30.68 N ATOM 1590 CA ILE H 162 8.773 -2.947 34.982 1.00 29.44 C ATOM 1591 C ILE H 162 8.837 -3.776 36.256 1.00 39.48 C ATOM 1592 O ILE H 162 8.237 -3.374 37.236 1.00 39.68 O ATOM 1593 CB ILE H 162 9.483 -1.619 35.228 1.00 34.18 C ATOM 1594 CG1 ILE H 162 9.747 -0.921 33.930 1.00 40.48 C ATOM 1595 CG2 ILE H 162 10.842 -1.841 35.882 1.00 25.54 C ATOM 1596 CD1 ILE H 162 10.330 0.460 34.213 1.00 50.42 C ATOM 1597 N VAL H 163 9.629 -4.867 36.238 1.00 42.03 N ATOM 1598 CA VAL H 163 9.789 -5.800 37.352 1.00 38.77 C ATOM 1599 C VAL H 163 11.036 -5.539 38.190 1.00 34.62 C ATOM 1600 O VAL H 163 11.990 -5.037 37.701 1.00 43.07 O ATOM 1601 CB VAL H 163 9.781 -7.260 36.859 1.00 40.42 C ATOM 1602 CG1 VAL H 163 9.713 -8.216 38.017 1.00 41.84 C ATOM 1603 CG2 VAL H 163 8.640 -7.543 35.911 1.00 39.13 C ATOM 1604 N GLU H 164 11.006 -5.942 39.455 1.00 37.07 N ATOM 1605 CA GLU H 164 12.080 -5.803 40.441 1.00 38.79 C ATOM 1606 C GLU H 164 13.302 -6.676 40.177 1.00 39.61 C ATOM 1607 O GLU H 164 13.207 -7.875 39.925 1.00 48.09 O ATOM 1608 CB GLU H 164 11.572 -5.948 41.931 1.00 42.33 C ATOM 1609 CG GLU H 164 10.237 -6.796 42.164 1.00 67.86 C ATOM 1610 CD GLU H 164 8.854 -6.154 41.870 1.00 81.92 C ATOM 1611 OE1 GLU H 164 8.479 -5.170 42.686 1.00 94.73 O ATOM 1612 OE2 GLU H 164 8.093 -6.604 41.041 1.00 61.04 O ATOM 1613 N ARG H 165 14.475 -6.065 40.293 1.00 35.33 N ATOM 1614 CA ARG H 165 15.744 -6.731 40.043 1.00 36.97 C ATOM 1615 C ARG H 165 15.875 -8.198 40.418 1.00 43.39 C ATOM 1616 O ARG H 165 16.264 -8.993 39.616 1.00 44.53 O ATOM 1617 CB ARG H 165 16.934 -5.977 40.586 1.00 35.95 C ATOM 1618 CG ARG H 165 17.012 -4.607 39.982 1.00 36.55 C ATOM 1619 CD ARG H 165 18.450 -4.098 39.800 1.00 82.81 C ATOM 1620 NE ARG H 165 19.296 -4.821 38.832 0.00 75.47 N ATOM 1621 CZ ARG H 165 19.518 -4.429 37.566 0.00 75.26 C ATOM 1622 NH1 ARG H 165 18.921 -3.345 37.058 1.00 40.76 N ATOM 1623 NH2 ARG H 165 20.339 -5.161 36.782 1.00 68.68 N ATOM 1624 N PRO H 166 15.622 -8.516 41.681 1.00 51.45 N ATOM 1625 CA PRO H 166 15.725 -9.861 42.206 1.00 50.09 C ATOM 1626 C PRO H 166 14.799 -10.863 41.541 1.00 55.64 C ATOM 1627 O PRO H 166 15.100 -12.063 41.451 1.00 60.97 O ATOM 1628 CB PRO H 166 15.342 -9.706 43.680 1.00 49.14 C ATOM 1629 CG PRO H 166 15.541 -8.250 44.062 1.00 40.88 C ATOM 1630 CD PRO H 166 15.754 -7.512 42.769 1.00 46.39 C ATOM 1631 N VAL H 167 13.643 -10.379 41.112 1.00 40.13 N ATOM 1632 CA VAL H 167 12.704 -11.292 40.488 1.00 43.57 C ATOM 1633 C VAL H 167 13.238 -11.720 39.141 1.00 39.63 C ATOM 1634 O VAL H 167 13.011 -12.813 38.658 1.00 43.77 O ATOM 1635 CB VAL H 167 11.342 -10.610 40.293 1.00 45.46 C ATOM 1636 CG1 VAL H 167 10.380 -11.590 39.645 1.00 47.43 C ATOM 1637 CG2 VAL H 167 10.786 -10.072 41.621 1.00 36.83 C ATOM 1638 N CYS H 168 13.883 -10.743 38.537 1.00 34.51 N ATOM 1639 CA CYS H 168 14.451 -10.874 37.230 1.00 38.99 C ATOM 1640 C CYS H 168 15.519 -11.937 37.343 1.00 35.85 C ATOM 1641 O CYS H 168 15.511 -12.967 36.680 1.00 41.05 O ATOM 1642 CB CYS H 168 15.048 -9.486 36.767 1.00 37.40 C ATOM 1643 SG CYS H 168 13.885 -8.071 36.410 1.00 38.29 S ATOM 1644 N LYS H 169 16.418 -11.635 38.251 1.00 30.49 N ATOM 1645 CA LYS H 169 17.566 -12.442 38.594 1.00 34.76 C ATOM 1646 C LYS H 169 17.165 -13.877 38.929 1.00 48.56 C ATOM 1647 O LYS H 169 17.837 -14.838 38.555 1.00 51.20 O ATOM 1648 CB LYS H 169 18.219 -11.803 39.821 1.00 30.68 C ATOM 1649 CG LYS H 169 19.732 -11.765 39.811 1.00 46.13 C ATOM 1650 CD LYS H 169 20.305 -10.774 40.812 0.00 55.00 C ATOM 1651 CE LYS H 169 21.592 -10.124 40.334 0.00 65.29 C ATOM 1652 NZ LYS H 169 22.411 -9.584 41.431 0.00 74.42 N ATOM 1653 N ASP H 170 16.066 -14.021 39.671 1.00 37.21 N ATOM 1654 CA ASP H 170 15.646 -15.336 40.106 1.00 33.33 C ATOM 1655 C ASP H 170 14.875 -16.095 39.059 1.00 33.09 C ATOM 1656 O ASP H 170 14.478 -17.214 39.285 1.00 36.04 O ATOM 1657 CB ASP H 170 14.864 -15.320 41.423 1.00 33.61 C ATOM 1658 CG ASP H 170 15.695 -14.989 42.620 1.00 38.48 C ATOM 1659 OD1 ASP H 170 16.898 -15.167 42.657 1.00 33.92 O ATOM 1660 OD2 ASP H 170 15.007 -14.439 43.586 1.00 68.41 O ATOM 1661 N SER H 171 14.711 -15.460 37.912 1.00 30.07 N ATOM 1662 CA SER H 171 13.938 -15.975 36.797 1.00 27.61 C ATOM 1663 C SER H 171 14.761 -16.748 35.792 1.00 38.71 C ATOM 1664 O SER H 171 14.238 -17.443 34.923 1.00 34.47 O ATOM 1665 CB SER H 171 12.986 -14.889 36.173 1.00 34.24 C ATOM 1666 OG SER H 171 13.512 -14.196 35.051 1.00 39.15 O ATOM 1667 N THR H 172 16.075 -16.666 35.926 1.00 48.10 N ATOM 1668 CA THR H 172 16.941 -17.335 34.967 1.00 41.33 C ATOM 1669 C THR H 172 18.335 -17.634 35.479 1.00 37.06 C ATOM 1670 O THR H 172 18.802 -17.091 36.477 1.00 41.75 O ATOM 1671 CB THR H 172 17.126 -16.402 33.757 1.00 60.23 C ATOM 1672 OG1 THR H 172 18.048 -16.987 32.866 1.00 80.00 O ATOM 1673 CG2 THR H 172 17.671 -15.053 34.240 1.00 34.91 C ATOM 1674 N ARG H 173 19.043 -18.431 34.702 1.00 36.88 N ATOM 1675 CA ARG H 173 20.414 -18.769 35.034 1.00 41.44 C ATOM 1676 C ARG H 173 21.466 -17.886 34.378 1.00 47.41 C ATOM 1677 O ARG H 173 22.643 -18.115 34.576 1.00 47.14 O ATOM 1678 CB ARG H 173 20.780 -20.235 34.766 1.00 51.54 C ATOM 1679 CG ARG H 173 19.595 -21.190 34.696 1.00 55.86 C ATOM 1680 CD ARG H 173 19.954 -22.505 33.975 1.00 77.37 C ATOM 1681 NE ARG H 173 21.201 -23.125 34.456 1.00 85.96 N ATOM 1682 CZ ARG H 173 21.379 -24.451 34.497 1.00 80.00 C ATOM 1683 NH1 ARG H 173 20.424 -25.296 34.098 1.00 57.80 N ATOM 1684 NH2 ARG H 173 22.539 -24.951 34.945 1.00 70.78 N ATOM 1685 N ILE H 174 21.053 -16.921 33.560 1.00 48.52 N ATOM 1686 CA ILE H 174 22.006 -16.069 32.860 1.00 47.35 C ATOM 1687 C ILE H 174 22.552 -15.026 33.796 1.00 50.25 C ATOM 1688 O ILE H 174 21.762 -14.465 34.539 1.00 47.46 O ATOM 1689 CB ILE H 174 21.369 -15.325 31.665 1.00 46.56 C ATOM 1690 CG1 ILE H 174 20.984 -16.309 30.583 1.00 41.89 C ATOM 1691 CG2 ILE H 174 22.354 -14.296 31.091 1.00 40.65 C ATOM 1692 CD1 ILE H 174 21.687 -17.629 30.828 1.00 57.31 C ATOM 1693 N ARG H 175 23.859 -14.744 33.731 1.00 51.50 N ATOM 1694 CA ARG H 175 24.432 -13.690 34.571 1.00 50.82 C ATOM 1695 C ARG H 175 24.080 -12.270 34.094 1.00 57.30 C ATOM 1696 O ARG H 175 24.502 -11.806 33.013 1.00 60.02 O ATOM 1697 CB ARG H 175 25.913 -13.844 34.736 1.00 53.52 C ATOM 1698 CG ARG H 175 26.489 -12.732 35.583 1.00 36.44 C ATOM 1699 CD ARG H 175 28.017 -12.834 35.619 1.00 66.33 C ATOM 1700 NE ARG H 175 28.618 -12.207 34.451 1.00 62.12 N ATOM 1701 CZ ARG H 175 28.533 -10.897 34.275 1.00 47.12 C ATOM 1702 NH1 ARG H 175 27.888 -10.142 35.157 1.00 85.32 N ATOM 1703 NH2 ARG H 175 29.040 -10.323 33.192 1.00 65.92 N ATOM 1704 N ILE H 176 23.327 -11.578 34.948 1.00 44.20 N ATOM 1705 CA ILE H 176 22.762 -10.245 34.762 1.00 41.00 C ATOM 1706 C ILE H 176 23.536 -9.021 35.296 1.00 45.70 C ATOM 1707 O ILE H 176 24.000 -8.971 36.435 1.00 65.82 O ATOM 1708 CB ILE H 176 21.395 -10.283 35.390 1.00 42.65 C ATOM 1709 CG1 ILE H 176 20.424 -10.971 34.493 1.00 32.68 C ATOM 1710 CG2 ILE H 176 20.882 -8.904 35.714 1.00 50.02 C ATOM 1711 CD1 ILE H 176 19.024 -10.666 34.924 1.00 92.75 C ATOM 1712 N THR H 177 23.596 -7.982 34.467 1.00 36.38 N ATOM 1713 CA THR H 177 24.322 -6.776 34.785 1.00 33.11 C ATOM 1714 C THR H 177 23.417 -5.571 34.970 1.00 39.68 C ATOM 1715 O THR H 177 22.205 -5.601 34.779 1.00 30.88 O ATOM 1716 CB THR H 177 25.334 -6.477 33.698 1.00 38.21 C ATOM 1717 OG1 THR H 177 24.593 -5.854 32.659 1.00 48.15 O ATOM 1718 CG2 THR H 177 25.950 -7.792 33.182 1.00 29.31 C ATOM 1719 N ASP H 178 24.080 -4.492 35.369 1.00 48.40 N ATOM 1720 CA ASP H 178 23.463 -3.229 35.663 1.00 38.45 C ATOM 1721 C ASP H 178 23.000 -2.552 34.416 1.00 43.70 C ATOM 1722 O ASP H 178 22.198 -1.646 34.529 1.00 45.62 O ATOM 1723 CB ASP H 178 24.400 -2.314 36.442 1.00 44.98 C ATOM 1724 CG ASP H 178 24.605 -2.653 37.913 1.00 56.41 C ATOM 1725 OD1 ASP H 178 23.957 -3.478 38.519 1.00 50.50 O ATOM 1726 OD2 ASP H 178 25.606 -1.962 38.456 1.00 82.13 O ATOM 1727 N ASN H 179 23.475 -3.018 33.254 1.00 43.27 N ATOM 1728 CA ASN H 179 23.036 -2.404 32.011 1.00 40.62 C ATOM 1729 C ASN H 179 21.785 -3.034 31.421 1.00 39.35 C ATOM 1730 O ASN H 179 21.575 -2.908 30.226 1.00 31.26 O ATOM 1731 CB ASN H 179 24.139 -2.291 30.968 1.00 27.92 C ATOM 1732 CG ASN H 179 25.413 -1.798 31.581 1.00 47.39 C ATOM 1733 OD1 ASN H 179 25.457 -0.654 32.079 1.00 44.62 O ATOM 1734 ND2 ASN H 179 26.432 -2.680 31.580 1.00 37.52 N ATOM 1735 N MET H 180 20.974 -3.667 32.286 1.00 36.99 N ATOM 1736 CA MET H 180 19.718 -4.330 31.948 1.00 34.40 C ATOM 1737 C MET H 180 18.593 -4.050 32.914 1.00 29.27 C ATOM 1738 O MET H 180 18.792 -3.688 34.040 1.00 35.46 O ATOM 1739 CB MET H 180 19.844 -5.891 32.029 1.00 29.98 C ATOM 1740 CG MET H 180 20.656 -6.442 30.910 1.00 26.92 C ATOM 1741 SD MET H 180 21.375 -7.991 31.378 1.00 37.16 S ATOM 1742 CE MET H 180 22.948 -7.949 30.509 1.00 32.81 C ATOM 1743 N PHE H 181 17.399 -4.339 32.434 1.00 24.70 N ATOM 1744 CA PHE H 181 16.178 -4.412 33.195 1.00 23.23 C ATOM 1745 C PHE H 181 15.248 -5.400 32.486 1.00 32.69 C ATOM 1746 O PHE H 181 15.463 -5.701 31.308 1.00 42.49 O ATOM 1747 CB PHE H 181 15.548 -3.093 33.639 1.00 22.80 C ATOM 1748 CG PHE H 181 14.944 -2.397 32.485 1.00 38.38 C ATOM 1749 CD1 PHE H 181 15.741 -1.563 31.700 1.00 44.33 C ATOM 1750 CD2 PHE H 181 13.616 -2.622 32.125 1.00 37.58 C ATOM 1751 CE1 PHE H 181 15.208 -0.904 30.598 1.00 42.42 C ATOM 1752 CE2 PHE H 181 13.091 -2.021 30.987 1.00 32.32 C ATOM 1753 CZ PHE H 181 13.879 -1.141 30.245 1.00 36.95 C ATOM 1754 N CYS H 182 14.282 -5.971 33.207 1.00 32.20 N ATOM 1755 CA CYS H 182 13.345 -6.947 32.659 1.00 34.57 C ATOM 1756 C CYS H 182 11.925 -6.451 32.765 1.00 42.06 C ATOM 1757 O CYS H 182 11.628 -5.626 33.645 1.00 33.36 O ATOM 1758 CB CYS H 182 13.532 -8.354 33.246 1.00 31.81 C ATOM 1759 SG CYS H 182 12.687 -8.693 34.826 1.00 39.46 S ATOM 1760 N ALA H 183 11.066 -6.901 31.856 1.00 34.15 N ATOM 1761 CA ALA H 183 9.719 -6.387 31.906 1.00 27.90 C ATOM 1762 C ALA H 183 8.637 -7.396 31.647 1.00 35.03 C ATOM 1763 O ALA H 183 8.791 -8.284 30.852 1.00 31.50 O ATOM 1764 CB ALA H 183 9.560 -5.284 30.916 1.00 29.19 C ATOM 1765 N GLY H 184 7.489 -7.171 32.284 1.00 37.12 N ATOM 1766 CA GLY H 184 6.340 -8.038 32.116 1.00 29.69 C ATOM 1767 C GLY H 184 5.519 -8.306 33.377 1.00 44.76 C ATOM 1768 O GLY H 184 5.841 -7.864 34.522 1.00 32.26 O ATOM 1769 N TYR H 184A 4.459 -9.095 33.138 1.00 46.12 N ATOM 1770 CA TYR H 184A 3.551 -9.527 34.185 1.00 41.09 C ATOM 1771 C TYR H 184A 4.062 -10.768 34.893 1.00 50.50 C ATOM 1772 O TYR H 184A 4.793 -11.587 34.289 1.00 55.05 O ATOM 1773 CB TYR H 184A 2.151 -9.842 33.629 1.00 36.56 C ATOM 1774 CG TYR H 184A 1.524 -8.617 33.132 1.00 38.23 C ATOM 1775 CD1 TYR H 184A 1.180 -7.631 34.047 1.00 38.04 C ATOM 1776 CD2 TYR H 184A 1.408 -8.359 31.766 1.00 41.29 C ATOM 1777 CE1 TYR H 184A 0.684 -6.409 33.620 1.00 49.25 C ATOM 1778 CE2 TYR H 184A 0.876 -7.149 31.327 1.00 42.21 C ATOM 1779 CZ TYR H 184A 0.525 -6.169 32.258 1.00 47.12 C ATOM 1780 OH TYR H 184A -0.008 -4.961 31.852 1.00 41.43 O ATOM 1781 N LYS H 185 3.673 -10.858 36.175 1.00 45.24 N ATOM 1782 CA LYS H 185 3.864 -12.035 37.005 1.00 44.64 C ATOM 1783 C LYS H 185 2.720 -13.002 36.681 1.00 68.85 C ATOM 1784 O LYS H 185 1.816 -12.683 35.875 1.00 77.32 O ATOM 1785 CB LYS H 185 3.997 -11.725 38.482 1.00 34.65 C ATOM 1786 CG LYS H 185 4.969 -10.588 38.642 1.00 32.61 C ATOM 1787 CD LYS H 185 5.648 -10.480 39.985 1.00 51.54 C ATOM 1788 CE LYS H 185 6.211 -9.082 40.242 1.00 43.97 C ATOM 1789 NZ LYS H 185 6.479 -8.812 41.660 1.00 79.18 N ATOM 1790 N PRO H 186 2.728 -14.203 37.242 1.00 64.63 N ATOM 1791 CA PRO H 186 1.676 -15.149 36.891 1.00 61.50 C ATOM 1792 C PRO H 186 0.324 -14.940 37.574 1.00 67.85 C ATOM 1793 O PRO H 186 -0.742 -15.224 36.996 1.00 84.65 O ATOM 1794 CB PRO H 186 2.260 -16.526 37.167 1.00 58.41 C ATOM 1795 CG PRO H 186 3.762 -16.354 37.199 1.00 54.01 C ATOM 1796 CD PRO H 186 4.041 -14.874 37.356 1.00 55.17 C ATOM 1797 N ASP H 186A 0.396 -14.434 38.804 1.00 54.19 N ATOM 1798 CA ASP H 186A -0.744 -14.156 39.647 1.00 62.14 C ATOM 1799 C ASP H 186A -1.463 -12.912 39.212 1.00 76.21 C ATOM 1800 O ASP H 186A -2.284 -12.433 39.993 1.00 76.94 O ATOM 1801 CB ASP H 186A -0.278 -13.883 41.109 1.00 68.79 C ATOM 1802 CG ASP H 186A 0.838 -12.848 41.276 1.00 83.65 C ATOM 1803 OD1 ASP H 186A 2.052 -13.359 41.147 1.00 80.00 O ATOM 1804 OD2 ASP H 186A 0.649 -11.696 41.619 1.00 71.91 O ATOM 1805 N GLU H 186B -1.090 -12.395 38.031 1.00 74.73 N ATOM 1806 CA GLU H 186B -1.584 -11.126 37.516 1.00 71.52 C ATOM 1807 C GLU H 186B -2.756 -11.153 36.514 1.00 92.04 C ATOM 1808 O GLU H 186B -3.433 -10.110 36.276 1.00 96.33 O ATOM 1809 CB GLU H 186B -0.434 -10.190 37.066 1.00 66.54 C ATOM 1810 CG GLU H 186B 0.469 -9.637 38.187 1.00 56.37 C ATOM 1811 CD GLU H 186B 1.572 -8.640 37.708 1.00 81.29 C ATOM 1812 OE1 GLU H 186B 1.961 -8.515 36.554 1.00 73.34 O ATOM 1813 OE2 GLU H 186B 2.102 -7.938 38.686 1.00 80.00 O ATOM 1814 N GLY H 186C -3.035 -12.310 35.905 1.00 79.17 N ATOM 1815 CA GLY H 186C -4.136 -12.341 34.957 1.00 77.56 C ATOM 1816 C GLY H 186C -3.702 -11.916 33.560 1.00 80.05 C ATOM 1817 O GLY H 186C -3.836 -12.690 32.614 1.00 84.90 O ATOM 1818 N LYS H 186D -3.176 -10.691 33.442 1.00 69.11 N ATOM 1819 CA LYS H 186D -2.682 -10.131 32.185 1.00 58.66 C ATOM 1820 C LYS H 186D -1.400 -10.806 31.678 1.00 54.06 C ATOM 1821 O LYS H 186D -0.535 -11.174 32.491 1.00 51.45 O ATOM 1822 CB LYS H 186D -2.353 -8.659 32.367 1.00 49.13 C ATOM 1823 CG LYS H 186D -3.512 -7.690 32.270 1.00 52.76 C ATOM 1824 CD LYS H 186D -3.788 -6.965 33.580 0.00 61.20 C ATOM 1825 CE LYS H 186D -4.690 -5.755 33.405 0.00 70.87 C ATOM 1826 NZ LYS H 186D -4.951 -5.048 34.666 0.00 79.95 N ATOM 1827 N ARG H 187 -1.279 -10.908 30.332 1.00 43.29 N ATOM 1828 CA ARG H 187 -0.115 -11.419 29.599 1.00 44.34 C ATOM 1829 C ARG H 187 0.374 -10.428 28.535 1.00 49.38 C ATOM 1830 O ARG H 187 -0.213 -9.375 28.284 1.00 40.36 O ATOM 1831 CB ARG H 187 -0.341 -12.711 28.844 1.00 38.54 C ATOM 1832 CG ARG H 187 -1.571 -13.444 29.278 1.00 48.32 C ATOM 1833 CD ARG H 187 -1.327 -14.927 29.492 1.00 57.56 C ATOM 1834 NE ARG H 187 -0.046 -15.370 28.989 1.00 79.93 N ATOM 1835 CZ ARG H 187 0.658 -16.270 29.629 1.00 81.49 C ATOM 1836 NH1 ARG H 187 0.180 -16.794 30.744 1.00 58.67 N ATOM 1837 NH2 ARG H 187 1.846 -16.663 29.129 1.00 48.50 N ATOM 1838 N GLY H 188 1.433 -10.827 27.832 1.00 43.96 N ATOM 1839 CA GLY H 188 2.008 -10.038 26.756 1.00 35.18 C ATOM 1840 C GLY H 188 3.530 -10.028 26.819 1.00 39.58 C ATOM 1841 O GLY H 188 4.106 -10.075 27.911 1.00 42.27 O ATOM 1842 N ASP H 189 4.167 -9.954 25.648 1.00 30.67 N ATOM 1843 CA ASP H 189 5.619 -9.927 25.512 1.00 33.49 C ATOM 1844 C ASP H 189 6.025 -9.647 24.063 1.00 44.04 C ATOM 1845 O ASP H 189 5.233 -9.666 23.093 1.00 41.18 O ATOM 1846 CB ASP H 189 6.231 -11.330 25.955 1.00 34.39 C ATOM 1847 CG ASP H 189 7.739 -11.451 26.183 1.00 38.06 C ATOM 1848 OD1 ASP H 189 8.438 -10.520 26.488 1.00 42.02 O ATOM 1849 OD2 ASP H 189 8.193 -12.693 26.171 1.00 40.92 O ATOM 1850 N ALA H 190 7.323 -9.417 23.904 1.00 46.96 N ATOM 1851 CA ALA H 190 7.922 -9.320 22.587 1.00 42.92 C ATOM 1852 C ALA H 190 8.288 -10.754 22.163 1.00 46.71 C ATOM 1853 O ALA H 190 8.165 -11.717 22.934 1.00 45.07 O ATOM 1854 CB ALA H 190 9.146 -8.392 22.546 1.00 36.96 C ATOM 1855 N CYS H 191 8.750 -10.927 20.936 1.00 44.85 N ATOM 1856 CA CYS H 191 9.080 -12.255 20.458 1.00 44.79 C ATOM 1857 C CYS H 191 10.059 -12.140 19.305 1.00 45.52 C ATOM 1858 O CYS H 191 10.581 -11.054 19.072 1.00 46.60 O ATOM 1859 CB CYS H 191 7.765 -12.953 19.990 1.00 44.46 C ATOM 1860 SG CYS H 191 7.901 -14.757 19.823 1.00 42.03 S ATOM 1861 N GLU H 192 10.285 -13.207 18.543 1.00 48.33 N ATOM 1862 CA GLU H 192 11.184 -13.031 17.409 1.00 47.80 C ATOM 1863 C GLU H 192 10.744 -11.936 16.426 1.00 49.95 C ATOM 1864 O GLU H 192 9.590 -11.882 15.947 1.00 46.55 O ATOM 1865 CB GLU H 192 11.495 -14.318 16.655 1.00 45.17 C ATOM 1866 CG GLU H 192 11.824 -15.477 17.605 1.00 56.53 C ATOM 1867 CD GLU H 192 13.245 -15.543 18.084 1.00 77.37 C ATOM 1868 OE1 GLU H 192 14.171 -14.778 17.769 1.00 63.60 O ATOM 1869 OE2 GLU H 192 13.404 -16.605 18.882 1.00 80.00 O ATOM 1870 N GLY H 193 11.692 -11.064 16.084 1.00 40.48 N ATOM 1871 CA GLY H 193 11.350 -10.031 15.138 1.00 39.73 C ATOM 1872 C GLY H 193 11.143 -8.668 15.739 1.00 40.77 C ATOM 1873 O GLY H 193 11.176 -7.695 15.015 1.00 40.32 O ATOM 1874 N ASP H 194 10.992 -8.615 17.054 1.00 36.81 N ATOM 1875 CA ASP H 194 10.822 -7.368 17.770 1.00 37.68 C ATOM 1876 C ASP H 194 12.148 -6.681 18.206 1.00 37.00 C ATOM 1877 O ASP H 194 12.237 -5.475 18.486 1.00 38.48 O ATOM 1878 CB ASP H 194 9.792 -7.602 18.905 1.00 34.77 C ATOM 1879 CG ASP H 194 8.425 -7.788 18.305 1.00 45.13 C ATOM 1880 OD1 ASP H 194 8.084 -7.167 17.336 1.00 43.30 O ATOM 1881 OD2 ASP H 194 7.675 -8.722 18.867 1.00 33.85 O ATOM 1882 N SER H 195 13.206 -7.471 18.233 1.00 34.22 N ATOM 1883 CA SER H 195 14.527 -7.105 18.697 1.00 30.83 C ATOM 1884 C SER H 195 14.962 -5.788 18.122 1.00 32.61 C ATOM 1885 O SER H 195 14.608 -5.487 16.989 1.00 31.85 O ATOM 1886 CB SER H 195 15.592 -8.236 18.521 1.00 29.46 C ATOM 1887 OG SER H 195 15.144 -9.296 17.661 1.00 53.82 O ATOM 1888 N GLY H 196 15.740 -5.043 18.915 1.00 26.37 N ATOM 1889 CA GLY H 196 16.280 -3.762 18.483 1.00 23.04 C ATOM 1890 C GLY H 196 15.232 -2.686 18.628 1.00 31.76 C ATOM 1891 O GLY H 196 15.482 -1.469 18.502 1.00 38.60 O ATOM 1892 N GLY H 197 14.030 -3.142 18.935 1.00 24.44 N ATOM 1893 CA GLY H 197 12.999 -2.158 19.099 1.00 23.13 C ATOM 1894 C GLY H 197 13.130 -1.414 20.412 1.00 34.94 C ATOM 1895 O GLY H 197 13.790 -1.792 21.409 1.00 31.77 O ATOM 1896 N PRO H 198 12.310 -0.397 20.412 1.00 35.29 N ATOM 1897 CA PRO H 198 12.134 0.581 21.463 1.00 32.14 C ATOM 1898 C PRO H 198 11.149 0.200 22.536 1.00 27.36 C ATOM 1899 O PRO H 198 10.054 -0.162 22.245 1.00 44.07 O ATOM 1900 CB PRO H 198 11.519 1.802 20.736 1.00 35.18 C ATOM 1901 CG PRO H 198 11.114 1.328 19.333 1.00 44.09 C ATOM 1902 CD PRO H 198 11.511 -0.144 19.203 1.00 35.00 C ATOM 1903 N PHE H 199 11.517 0.398 23.789 1.00 32.21 N ATOM 1904 CA PHE H 199 10.648 0.232 24.939 1.00 25.20 C ATOM 1905 C PHE H 199 10.479 1.675 25.427 1.00 35.10 C ATOM 1906 O PHE H 199 11.442 2.413 25.607 1.00 34.95 O ATOM 1907 CB PHE H 199 11.319 -0.669 25.973 1.00 20.35 C ATOM 1908 CG PHE H 199 10.585 -0.627 27.298 1.00 26.27 C ATOM 1909 CD1 PHE H 199 10.865 0.375 28.233 1.00 31.63 C ATOM 1910 CD2 PHE H 199 9.601 -1.574 27.619 1.00 24.82 C ATOM 1911 CE1 PHE H 199 10.212 0.431 29.471 1.00 30.85 C ATOM 1912 CE2 PHE H 199 8.918 -1.533 28.841 1.00 29.48 C ATOM 1913 CZ PHE H 199 9.236 -0.538 29.774 1.00 32.72 C ATOM 1914 N VAL H 200 9.272 2.188 25.478 1.00 31.23 N ATOM 1915 CA VAL H 200 9.177 3.611 25.798 1.00 28.04 C ATOM 1916 C VAL H 200 8.216 3.905 26.908 1.00 26.71 C ATOM 1917 O VAL H 200 7.354 3.096 27.180 1.00 31.43 O ATOM 1918 CB VAL H 200 8.613 4.464 24.616 1.00 31.94 C ATOM 1919 CG1 VAL H 200 9.542 4.506 23.408 1.00 20.27 C ATOM 1920 CG2 VAL H 200 7.199 3.986 24.206 1.00 30.81 C ATOM 1921 N MET H 201 8.336 5.141 27.393 1.00 33.17 N ATOM 1922 CA MET H 201 7.534 5.751 28.450 1.00 30.71 C ATOM 1923 C MET H 201 7.169 7.208 28.143 1.00 31.07 C ATOM 1924 O MET H 201 7.919 7.970 27.496 1.00 34.17 O ATOM 1925 CB MET H 201 8.323 5.664 29.788 1.00 34.06 C ATOM 1926 CG MET H 201 8.703 4.203 30.097 1.00 39.23 C ATOM 1927 SD MET H 201 9.457 3.868 31.713 1.00 38.37 S ATOM 1928 CE MET H 201 8.036 3.833 32.826 1.00 27.14 C ATOM 1929 N LYS H 202 5.970 7.584 28.567 1.00 31.41 N ATOM 1930 CA LYS H 202 5.546 8.969 28.411 1.00 30.72 C ATOM 1931 C LYS H 202 5.794 9.750 29.716 1.00 38.45 C ATOM 1932 O LYS H 202 5.373 9.263 30.774 1.00 35.87 O ATOM 1933 CB LYS H 202 4.087 9.019 28.013 1.00 28.41 C ATOM 1934 CG LYS H 202 3.584 10.404 27.619 1.00 49.61 C ATOM 1935 CD LYS H 202 2.134 10.396 27.173 1.00 39.03 C ATOM 1936 CE LYS H 202 1.619 11.781 26.886 1.00 30.50 C ATOM 1937 NZ LYS H 202 0.998 11.868 25.550 1.00 64.26 N ATOM 1938 N SER H 203 6.510 10.904 29.692 1.00 31.23 N ATOM 1939 CA SER H 203 6.717 11.686 30.924 1.00 31.55 C ATOM 1940 C SER H 203 5.468 12.423 31.403 1.00 38.45 C ATOM 1941 O SER H 203 4.817 13.118 30.617 1.00 41.98 O ATOM 1942 CB SER H 203 7.861 12.689 30.863 1.00 34.49 C ATOM 1943 OG SER H 203 7.687 13.631 31.908 1.00 52.20 O ATOM 1944 N PRO H 204 5.141 12.328 32.689 1.00 30.17 N ATOM 1945 CA PRO H 204 3.959 13.005 33.123 1.00 28.71 C ATOM 1946 C PRO H 204 4.243 14.450 33.476 1.00 30.92 C ATOM 1947 O PRO H 204 3.314 15.211 33.762 1.00 37.62 O ATOM 1948 CB PRO H 204 3.375 12.212 34.298 1.00 24.15 C ATOM 1949 CG PRO H 204 4.500 11.390 34.821 1.00 27.74 C ATOM 1950 CD PRO H 204 5.641 11.544 33.826 1.00 22.47 C ATOM 1951 N PHE H 204A 5.511 14.847 33.420 1.00 30.09 N ATOM 1952 CA PHE H 204A 5.879 16.226 33.731 1.00 23.59 C ATOM 1953 C PHE H 204A 5.828 17.094 32.507 1.00 40.38 C ATOM 1954 O PHE H 204A 5.373 18.215 32.601 1.00 45.10 O ATOM 1955 CB PHE H 204A 7.301 16.320 34.270 1.00 21.08 C ATOM 1956 CG PHE H 204A 7.458 15.330 35.366 1.00 28.89 C ATOM 1957 CD1 PHE H 204A 6.923 15.586 36.627 1.00 37.08 C ATOM 1958 CD2 PHE H 204A 8.029 14.083 35.108 1.00 38.74 C ATOM 1959 CE1 PHE H 204A 7.004 14.642 37.645 1.00 41.34 C ATOM 1960 CE2 PHE H 204A 8.123 13.126 36.116 1.00 43.28 C ATOM 1961 CZ PHE H 204A 7.604 13.405 37.382 1.00 41.78 C ATOM 1962 N ASN H 204B 6.308 16.573 31.374 1.00 37.58 N ATOM 1963 CA ASN H 204B 6.299 17.379 30.162 1.00 36.28 C ATOM 1964 C ASN H 204B 5.609 16.780 28.965 1.00 47.59 C ATOM 1965 O ASN H 204B 5.706 17.402 27.884 1.00 40.76 O ATOM 1966 CB ASN H 204B 7.695 17.788 29.716 1.00 46.22 C ATOM 1967 CG ASN H 204B 8.542 16.584 29.416 1.00 54.37 C ATOM 1968 OD1 ASN H 204B 9.759 16.691 29.296 1.00 32.89 O ATOM 1969 ND2 ASN H 204B 7.900 15.429 29.293 1.00 23.35 N ATOM 1970 N ASN H 205 5.051 15.566 29.131 1.00 44.52 N ATOM 1971 CA ASN H 205 4.304 14.874 28.090 1.00 42.12 C ATOM 1972 C ASN H 205 5.071 14.256 26.938 1.00 38.18 C ATOM 1973 O ASN H 205 4.473 13.864 25.903 1.00 32.37 O ATOM 1974 CB ASN H 205 3.287 15.828 27.449 1.00 54.53 C ATOM 1975 CG ASN H 205 1.952 15.729 28.101 1.00 83.99 C ATOM 1976 OD1 ASN H 205 1.876 15.732 29.340 1.00 70.28 O ATOM 1977 ND2 ASN H 205 0.927 15.482 27.274 1.00 87.07 N ATOM 1978 N ARG H 206 6.375 14.208 27.042 1.00 25.99 N ATOM 1979 CA ARG H 206 7.046 13.611 25.911 1.00 30.70 C ATOM 1980 C ARG H 206 7.274 12.125 26.102 1.00 31.98 C ATOM 1981 O ARG H 206 7.267 11.653 27.219 1.00 31.42 O ATOM 1982 CB ARG H 206 8.388 14.241 25.606 1.00 36.49 C ATOM 1983 CG ARG H 206 8.412 15.736 25.711 1.00 33.19 C ATOM 1984 CD ARG H 206 9.650 16.333 25.065 1.00 31.83 C ATOM 1985 NE ARG H 206 9.586 17.774 24.999 1.00 46.56 N ATOM 1986 CZ ARG H 206 10.136 18.451 24.046 1.00 53.04 C ATOM 1987 NH1 ARG H 206 10.788 17.864 23.055 1.00 65.19 N ATOM 1988 NH2 ARG H 206 10.024 19.754 24.077 1.00 84.17 N ATOM 1989 N TRP H 207 7.527 11.437 24.988 1.00 35.44 N ATOM 1990 CA TRP H 207 7.847 10.026 24.945 1.00 36.74 C ATOM 1991 C TRP H 207 9.356 9.884 24.958 1.00 31.43 C ATOM 1992 O TRP H 207 10.071 10.543 24.183 1.00 27.43 O ATOM 1993 CB TRP H 207 7.277 9.378 23.670 1.00 35.14 C ATOM 1994 CG TRP H 207 5.779 9.357 23.662 1.00 29.59 C ATOM 1995 CD1 TRP H 207 4.981 10.340 23.225 1.00 31.53 C ATOM 1996 CD2 TRP H 207 4.935 8.332 24.188 1.00 26.67 C ATOM 1997 NE1 TRP H 207 3.680 9.974 23.398 1.00 31.89 N ATOM 1998 CE2 TRP H 207 3.614 8.745 23.980 1.00 29.77 C ATOM 1999 CE3 TRP H 207 5.194 7.090 24.825 1.00 31.70 C ATOM 2000 CZ2 TRP H 207 2.509 7.968 24.377 1.00 33.00 C ATOM 2001 CZ3 TRP H 207 4.097 6.314 25.220 1.00 37.45 C ATOM 2002 CH2 TRP H 207 2.769 6.759 24.999 1.00 35.59 C ATOM 2003 N TYR H 208 9.828 9.045 25.863 1.00 24.95 N ATOM 2004 CA TYR H 208 11.251 8.778 26.018 1.00 31.78 C ATOM 2005 C TYR H 208 11.612 7.326 25.753 1.00 38.08 C ATOM 2006 O TYR H 208 10.825 6.423 26.027 1.00 44.64 O ATOM 2007 CB TYR H 208 11.606 9.008 27.471 1.00 34.21 C ATOM 2008 CG TYR H 208 11.783 10.460 27.682 1.00 34.18 C ATOM 2009 CD1 TYR H 208 12.916 11.160 27.234 1.00 26.60 C ATOM 2010 CD2 TYR H 208 10.751 11.157 28.296 1.00 39.55 C ATOM 2011 CE1 TYR H 208 13.028 12.538 27.431 1.00 21.18 C ATOM 2012 CE2 TYR H 208 10.838 12.538 28.483 1.00 41.73 C ATOM 2013 CZ TYR H 208 11.975 13.225 28.056 1.00 44.41 C ATOM 2014 OH TYR H 208 12.038 14.590 28.306 1.00 35.65 O ATOM 2015 N GLN H 209 12.806 7.072 25.251 1.00 30.57 N ATOM 2016 CA GLN H 209 13.155 5.683 25.059 1.00 33.91 C ATOM 2017 C GLN H 209 13.949 5.212 26.242 1.00 34.04 C ATOM 2018 O GLN H 209 15.041 5.630 26.448 1.00 34.18 O ATOM 2019 CB GLN H 209 13.922 5.365 23.765 1.00 37.62 C ATOM 2020 CG GLN H 209 14.369 3.868 23.687 1.00 42.52 C ATOM 2021 CD GLN H 209 14.817 3.364 22.297 1.00 32.11 C ATOM 2022 OE1 GLN H 209 14.650 4.057 21.282 1.00 49.98 O ATOM 2023 NE2 GLN H 209 15.315 2.115 22.223 1.00 61.51 N ATOM 2024 N MET H 210 13.378 4.338 27.024 1.00 34.36 N ATOM 2025 CA MET H 210 14.082 3.842 28.173 1.00 27.67 C ATOM 2026 C MET H 210 14.855 2.572 27.862 1.00 35.23 C ATOM 2027 O MET H 210 15.908 2.321 28.435 1.00 43.49 O ATOM 2028 CB MET H 210 13.104 3.600 29.323 1.00 30.34 C ATOM 2029 CG MET H 210 12.171 4.784 29.574 1.00 37.11 C ATOM 2030 SD MET H 210 12.987 6.393 29.929 1.00 40.33 S ATOM 2031 CE MET H 210 14.107 5.961 31.216 1.00 30.97 C ATOM 2032 N GLY H 211 14.339 1.748 26.964 1.00 33.65 N ATOM 2033 CA GLY H 211 15.033 0.518 26.663 1.00 32.18 C ATOM 2034 C GLY H 211 14.940 0.074 25.210 1.00 36.41 C ATOM 2035 O GLY H 211 14.128 0.628 24.465 1.00 41.99 O ATOM 2036 N ILE H 212 15.809 -0.906 24.854 1.00 16.46 N ATOM 2037 CA ILE H 212 15.882 -1.583 23.565 1.00 16.04 C ATOM 2038 C ILE H 212 15.583 -3.035 23.802 1.00 23.44 C ATOM 2039 O ILE H 212 16.130 -3.596 24.705 1.00 30.22 O ATOM 2040 CB ILE H 212 17.271 -1.665 22.996 1.00 24.02 C ATOM 2041 CG1 ILE H 212 17.989 -0.330 23.055 1.00 36.30 C ATOM 2042 CG2 ILE H 212 17.217 -2.191 21.570 1.00 25.05 C ATOM 2043 CD1 ILE H 212 19.033 -0.189 21.943 1.00 49.32 C ATOM 2044 N VAL H 213 14.715 -3.614 22.995 1.00 29.96 N ATOM 2045 CA VAL H 213 14.361 -5.020 23.138 1.00 32.63 C ATOM 2046 C VAL H 213 15.635 -5.856 22.998 1.00 36.74 C ATOM 2047 O VAL H 213 16.162 -5.930 21.887 1.00 37.59 O ATOM 2048 CB VAL H 213 13.325 -5.431 22.039 1.00 35.98 C ATOM 2049 CG1 VAL H 213 12.704 -6.824 22.237 1.00 29.67 C ATOM 2050 CG2 VAL H 213 12.246 -4.387 21.871 1.00 34.76 C ATOM 2051 N SER H 214 16.105 -6.505 24.081 1.00 34.83 N ATOM 2052 CA SER H 214 17.333 -7.288 24.044 1.00 33.52 C ATOM 2053 C SER H 214 17.185 -8.799 23.991 1.00 39.15 C ATOM 2054 O SER H 214 17.233 -9.433 22.959 1.00 34.02 O ATOM 2055 CB SER H 214 18.364 -6.853 25.066 1.00 39.59 C ATOM 2056 OG SER H 214 19.577 -7.465 24.765 1.00 37.64 O ATOM 2057 N TRP H 215 16.978 -9.440 25.100 1.00 42.68 N ATOM 2058 CA TRP H 215 16.875 -10.872 24.951 1.00 35.21 C ATOM 2059 C TRP H 215 15.836 -11.471 25.867 1.00 37.65 C ATOM 2060 O TRP H 215 15.224 -10.787 26.698 1.00 35.20 O ATOM 2061 CB TRP H 215 18.258 -11.485 25.169 1.00 27.95 C ATOM 2062 CG TRP H 215 18.814 -11.165 26.527 1.00 29.90 C ATOM 2063 CD1 TRP H 215 19.566 -10.067 26.869 1.00 34.00 C ATOM 2064 CD2 TRP H 215 18.621 -11.916 27.735 1.00 28.29 C ATOM 2065 NE1 TRP H 215 19.900 -10.117 28.204 1.00 35.02 N ATOM 2066 CE2 TRP H 215 19.347 -11.264 28.757 1.00 35.90 C ATOM 2067 CE3 TRP H 215 17.896 -13.062 28.043 1.00 26.85 C ATOM 2068 CZ2 TRP H 215 19.380 -11.767 30.081 1.00 39.01 C ATOM 2069 CZ3 TRP H 215 17.881 -13.520 29.356 1.00 28.57 C ATOM 2070 CH2 TRP H 215 18.626 -12.899 30.368 1.00 31.92 C ATOM 2071 N GLY H 216 15.646 -12.764 25.710 1.00 36.74 N ATOM 2072 CA GLY H 216 14.654 -13.429 26.523 1.00 33.64 C ATOM 2073 C GLY H 216 14.662 -14.906 26.216 1.00 33.92 C ATOM 2074 O GLY H 216 15.402 -15.351 25.350 1.00 33.72 O ATOM 2075 N GLU H 217 13.878 -15.658 26.976 1.00 37.88 N ATOM 2076 CA GLU H 217 13.790 -17.093 26.753 1.00 36.88 C ATOM 2077 C GLU H 217 12.343 -17.496 26.493 1.00 49.16 C ATOM 2078 O GLU H 217 11.480 -17.541 27.409 1.00 51.82 O ATOM 2079 CB GLU H 217 14.513 -17.939 27.808 1.00 35.60 C ATOM 2080 CG GLU H 217 15.786 -17.270 28.359 1.00 62.93 C ATOM 2081 CD GLU H 217 15.847 -17.219 29.895 1.00 80.00 C ATOM 2082 OE1 GLU H 217 15.241 -16.336 30.601 1.00 66.53 O ATOM 2083 OE2 GLU H 217 16.606 -18.219 30.408 1.00 67.18 O ATOM 2084 N GLY H 219 12.047 -17.671 25.204 1.00 48.91 N ATOM 2085 CA GLY H 219 10.696 -17.953 24.743 1.00 48.14 C ATOM 2086 C GLY H 219 9.884 -16.667 24.581 1.00 52.97 C ATOM 2087 O GLY H 219 10.381 -15.552 24.607 1.00 56.21 O ATOM 2088 N CYS H 220 8.603 -16.809 24.320 1.00 45.37 N ATOM 2089 CA CYS H 220 7.781 -15.634 24.172 1.00 41.34 C ATOM 2090 C CYS H 220 6.585 -15.746 25.081 1.00 54.79 C ATOM 2091 O CYS H 220 5.773 -16.689 24.991 1.00 58.11 O ATOM 2092 CB CYS H 220 7.317 -15.417 22.733 1.00 36.88 C ATOM 2093 SG CYS H 220 8.699 -15.349 21.626 1.00 41.04 S ATOM 2094 N ASP H 221 6.501 -14.795 25.988 1.00 48.25 N ATOM 2095 CA ASP H 221 5.385 -14.841 26.897 1.00 49.46 C ATOM 2096 C ASP H 221 5.223 -16.184 27.620 1.00 58.92 C ATOM 2097 O ASP H 221 4.119 -16.744 27.759 1.00 58.71 O ATOM 2098 CB ASP H 221 4.085 -14.356 26.232 1.00 46.62 C ATOM 2099 CG ASP H 221 3.018 -13.983 27.223 1.00 37.52 C ATOM 2100 OD1 ASP H 221 3.224 -13.566 28.365 1.00 51.67 O ATOM 2101 OD2 ASP H 221 1.855 -14.281 26.764 1.00 28.37 O ATOM 2102 N ARG H 221A 6.343 -16.722 28.100 1.00 47.51 N ATOM 2103 CA ARG H 221A 6.258 -17.954 28.851 1.00 43.02 C ATOM 2104 C ARG H 221A 5.906 -17.583 30.255 1.00 46.19 C ATOM 2105 O ARG H 221A 6.382 -16.596 30.809 1.00 38.09 O ATOM 2106 CB ARG H 221A 7.545 -18.757 28.927 1.00 43.83 C ATOM 2107 CG ARG H 221A 8.206 -19.021 27.582 1.00 39.81 C ATOM 2108 CD ARG H 221A 7.606 -20.218 26.912 1.00 54.52 C ATOM 2109 NE ARG H 221A 8.476 -20.703 25.887 1.00 79.80 N ATOM 2110 CZ ARG H 221A 9.629 -21.302 26.135 1.00 90.67 C ATOM 2111 NH1 ARG H 221A 10.071 -21.488 27.383 1.00 51.42 N ATOM 2112 NH2 ARG H 221A 10.368 -21.700 25.096 1.00 71.61 N ATOM 2113 N ASP H 222 5.068 -18.391 30.846 1.00 63.94 N ATOM 2114 CA ASP H 222 4.723 -18.071 32.212 1.00 69.12 C ATOM 2115 C ASP H 222 5.927 -18.144 33.141 1.00 64.53 C ATOM 2116 O ASP H 222 6.696 -19.095 33.126 1.00 69.91 O ATOM 2117 CB ASP H 222 3.554 -18.892 32.723 1.00 72.90 C ATOM 2118 CG ASP H 222 2.322 -18.087 32.726 1.00 84.84 C ATOM 2119 OD1 ASP H 222 2.560 -16.780 32.637 1.00 96.16 O ATOM 2120 OD2 ASP H 222 1.222 -18.602 32.807 1.00 80.00 O ATOM 2121 N GLY H 223 6.102 -17.114 33.950 1.00 57.25 N ATOM 2122 CA GLY H 223 7.239 -17.059 34.831 1.00 48.49 C ATOM 2123 C GLY H 223 8.452 -16.470 34.109 1.00 60.63 C ATOM 2124 O GLY H 223 9.609 -16.556 34.568 1.00 51.62 O ATOM 2125 N LYS H 224 8.221 -15.853 32.955 1.00 51.38 N ATOM 2126 CA LYS H 224 9.351 -15.303 32.256 1.00 40.99 C ATOM 2127 C LYS H 224 9.178 -13.864 31.834 1.00 46.53 C ATOM 2128 O LYS H 224 8.049 -13.391 31.638 1.00 51.57 O ATOM 2129 CB LYS H 224 9.834 -16.238 31.201 1.00 46.15 C ATOM 2130 CG LYS H 224 10.416 -17.508 31.839 1.00 55.34 C ATOM 2131 CD LYS H 224 11.780 -17.893 31.268 1.00 64.56 C ATOM 2132 CE LYS H 224 12.628 -18.778 32.166 1.00 50.56 C ATOM 2133 NZ LYS H 224 14.049 -18.432 32.100 1.00 55.42 N ATOM 2134 N TYR H 225 10.332 -13.197 31.743 1.00 42.52 N ATOM 2135 CA TYR H 225 10.448 -11.795 31.413 1.00 42.16 C ATOM 2136 C TYR H 225 11.422 -11.500 30.298 1.00 51.17 C ATOM 2137 O TYR H 225 12.389 -12.221 30.093 1.00 60.15 O ATOM 2138 CB TYR H 225 10.889 -10.971 32.643 1.00 47.74 C ATOM 2139 CG TYR H 225 10.159 -11.397 33.851 1.00 43.30 C ATOM 2140 CD1 TYR H 225 8.870 -10.922 34.100 1.00 49.71 C ATOM 2141 CD2 TYR H 225 10.738 -12.328 34.710 1.00 43.24 C ATOM 2142 CE1 TYR H 225 8.161 -11.367 35.218 1.00 53.66 C ATOM 2143 CE2 TYR H 225 10.056 -12.759 35.843 1.00 44.92 C ATOM 2144 CZ TYR H 225 8.764 -12.283 36.085 1.00 52.39 C ATOM 2145 OH TYR H 225 8.082 -12.717 37.187 1.00 58.97 O ATOM 2146 N GLY H 226 11.171 -10.371 29.642 1.00 44.91 N ATOM 2147 CA GLY H 226 12.001 -9.893 28.571 1.00 43.64 C ATOM 2148 C GLY H 226 13.026 -8.960 29.146 1.00 35.85 C ATOM 2149 O GLY H 226 12.716 -8.257 30.132 1.00 23.05 O ATOM 2150 N PHE H 227 14.222 -9.036 28.551 1.00 29.41 N ATOM 2151 CA PHE H 227 15.334 -8.231 28.958 1.00 33.31 C ATOM 2152 C PHE H 227 15.512 -7.105 27.990 1.00 38.03 C ATOM 2153 O PHE H 227 15.343 -7.301 26.772 1.00 32.30 O ATOM 2154 CB PHE H 227 16.618 -9.022 29.186 1.00 31.28 C ATOM 2155 CG PHE H 227 16.397 -9.809 30.426 1.00 27.37 C ATOM 2156 CD1 PHE H 227 15.583 -10.934 30.395 1.00 38.28 C ATOM 2157 CD2 PHE H 227 16.851 -9.350 31.663 1.00 27.90 C ATOM 2158 CE1 PHE H 227 15.281 -11.654 31.553 1.00 35.65 C ATOM 2159 CE2 PHE H 227 16.573 -10.060 32.836 1.00 26.52 C ATOM 2160 CZ PHE H 227 15.798 -11.227 32.771 1.00 22.40 C ATOM 2161 N TYR H 228 15.852 -5.956 28.585 1.00 28.87 N ATOM 2162 CA TYR H 228 16.047 -4.699 27.874 1.00 24.96 C ATOM 2163 C TYR H 228 17.380 -3.990 28.159 1.00 25.02 C ATOM 2164 O TYR H 228 17.833 -3.897 29.284 1.00 35.90 O ATOM 2165 CB TYR H 228 14.835 -3.751 28.194 1.00 21.40 C ATOM 2166 CG TYR H 228 13.488 -4.368 27.814 1.00 17.81 C ATOM 2167 CD1 TYR H 228 12.794 -5.230 28.669 1.00 23.43 C ATOM 2168 CD2 TYR H 228 12.944 -4.110 26.563 1.00 19.95 C ATOM 2169 CE1 TYR H 228 11.563 -5.804 28.326 1.00 21.88 C ATOM 2170 CE2 TYR H 228 11.738 -4.697 26.199 1.00 19.31 C ATOM 2171 CZ TYR H 228 11.059 -5.577 27.042 1.00 27.19 C ATOM 2172 OH TYR H 228 9.844 -6.124 26.611 1.00 25.83 O ATOM 2173 N THR H 229 18.011 -3.449 27.127 1.00 24.76 N ATOM 2174 CA THR H 229 19.206 -2.655 27.320 1.00 24.07 C ATOM 2175 C THR H 229 18.784 -1.318 27.913 1.00 33.61 C ATOM 2176 O THR H 229 17.904 -0.655 27.411 1.00 25.98 O ATOM 2177 CB THR H 229 19.876 -2.396 25.978 1.00 21.88 C ATOM 2178 OG1 THR H 229 19.915 -3.642 25.287 1.00 36.44 O ATOM 2179 CG2 THR H 229 21.272 -1.844 26.193 1.00 23.10 C ATOM 2180 N HIS H 230 19.474 -0.947 28.974 1.00 34.51 N ATOM 2181 CA HIS H 230 19.327 0.249 29.789 1.00 27.44 C ATOM 2182 C HIS H 230 19.992 1.456 29.156 1.00 34.18 C ATOM 2183 O HIS H 230 21.143 1.837 29.415 1.00 31.97 O ATOM 2184 CB HIS H 230 20.072 -0.073 31.054 1.00 28.73 C ATOM 2185 CG HIS H 230 19.667 0.793 32.109 1.00 36.92 C ATOM 2186 ND1 HIS H 230 19.596 2.128 31.895 1.00 44.66 N ATOM 2187 CD2 HIS H 230 19.290 0.523 33.367 1.00 43.28 C ATOM 2188 CE1 HIS H 230 19.288 2.681 33.053 1.00 42.64 C ATOM 2189 NE2 HIS H 230 18.962 1.744 33.929 1.00 43.54 N ATOM 2190 N VAL H 231 19.239 2.043 28.262 1.00 38.81 N ATOM 2191 CA VAL H 231 19.706 3.144 27.469 1.00 34.26 C ATOM 2192 C VAL H 231 20.362 4.230 28.281 1.00 35.31 C ATOM 2193 O VAL H 231 21.422 4.718 27.966 1.00 37.32 O ATOM 2194 CB VAL H 231 18.568 3.674 26.683 1.00 33.95 C ATOM 2195 CG1 VAL H 231 18.933 5.072 26.253 1.00 39.03 C ATOM 2196 CG2 VAL H 231 18.315 2.749 25.513 1.00 22.18 C ATOM 2197 N PHE H 232 19.744 4.616 29.365 1.00 31.34 N ATOM 2198 CA PHE H 232 20.363 5.668 30.134 1.00 32.39 C ATOM 2199 C PHE H 232 21.792 5.408 30.577 1.00 36.46 C ATOM 2200 O PHE H 232 22.671 6.262 30.480 1.00 37.98 O ATOM 2201 CB PHE H 232 19.539 6.025 31.325 1.00 40.27 C ATOM 2202 CG PHE H 232 20.288 7.105 31.997 1.00 52.00 C ATOM 2203 CD1 PHE H 232 20.682 8.222 31.253 1.00 53.35 C ATOM 2204 CD2 PHE H 232 20.672 7.003 33.336 1.00 56.30 C ATOM 2205 CE1 PHE H 232 21.396 9.257 31.854 1.00 53.41 C ATOM 2206 CE2 PHE H 232 21.381 8.040 33.950 1.00 62.34 C ATOM 2207 CZ PHE H 232 21.752 9.162 33.203 1.00 59.46 C ATOM 2208 N ARG H 233 22.015 4.214 31.101 1.00 44.34 N ATOM 2209 CA ARG H 233 23.325 3.758 31.559 1.00 45.56 C ATOM 2210 C ARG H 233 24.387 3.769 30.446 1.00 52.02 C ATOM 2211 O ARG H 233 25.598 3.825 30.698 1.00 54.54 O ATOM 2212 CB ARG H 233 23.199 2.347 32.130 1.00 57.39 C ATOM 2213 CG ARG H 233 22.930 2.296 33.639 1.00 54.03 C ATOM 2214 CD ARG H 233 23.572 1.061 34.288 1.00 88.23 C ATOM 2215 NE ARG H 233 24.689 1.329 35.214 1.00 86.39 N ATOM 2216 CZ ARG H 233 25.890 0.785 35.107 0.00 92.72 C ATOM 2217 NH1 ARG H 233 26.196 -0.076 34.142 0.00 78.12 N ATOM 2218 NH2 ARG H 233 26.815 1.098 36.007 0.00 77.53 N ATOM 2219 N LEU H 234 23.952 3.694 29.191 1.00 38.31 N ATOM 2220 CA LEU H 234 24.886 3.747 28.090 1.00 31.64 C ATOM 2221 C LEU H 234 24.882 5.097 27.379 1.00 33.57 C ATOM 2222 O LEU H 234 25.527 5.296 26.348 1.00 35.99 O ATOM 2223 CB LEU H 234 24.631 2.617 27.112 1.00 34.09 C ATOM 2224 CG LEU H 234 24.702 1.248 27.786 1.00 43.98 C ATOM 2225 CD1 LEU H 234 25.619 0.362 27.005 1.00 44.22 C ATOM 2226 CD2 LEU H 234 25.281 1.349 29.173 1.00 47.91 C ATOM 2227 N LYS H 235 24.160 6.049 27.949 1.00 27.63 N ATOM 2228 CA LYS H 235 24.052 7.341 27.344 1.00 28.87 C ATOM 2229 C LYS H 235 25.368 8.047 27.038 1.00 39.13 C ATOM 2230 O LYS H 235 25.498 8.783 26.037 1.00 36.25 O ATOM 2231 CB LYS H 235 23.183 8.222 28.193 1.00 44.31 C ATOM 2232 CG LYS H 235 22.960 9.552 27.537 1.00 57.83 C ATOM 2233 CD LYS H 235 21.744 9.553 26.644 1.00 66.71 C ATOM 2234 CE LYS H 235 21.321 10.987 26.255 1.00 92.07 C ATOM 2235 NZ LYS H 235 20.977 11.917 27.373 1.00 40.87 N ATOM 2236 N LYS H 236 26.354 7.953 27.916 1.00 37.39 N ATOM 2237 CA LYS H 236 27.559 8.694 27.567 1.00 44.40 C ATOM 2238 C LYS H 236 28.212 8.219 26.268 1.00 49.71 C ATOM 2239 O LYS H 236 28.596 9.020 25.442 1.00 56.50 O ATOM 2240 CB LYS H 236 28.497 9.024 28.729 1.00 45.62 C ATOM 2241 CG LYS H 236 27.783 9.100 30.066 0.00 59.52 C ATOM 2242 CD LYS H 236 26.642 10.102 30.062 0.00 69.30 C ATOM 2243 CE LYS H 236 25.867 10.126 31.367 0.00 80.22 C ATOM 2244 NZ LYS H 236 24.884 11.217 31.429 0.00 89.45 N ATOM 2245 N TRP H 237 28.270 6.903 26.071 1.00 42.47 N ATOM 2246 CA TRP H 237 28.841 6.320 24.875 1.00 36.17 C ATOM 2247 C TRP H 237 28.167 6.917 23.656 1.00 43.62 C ATOM 2248 O TRP H 237 28.748 7.321 22.700 1.00 50.63 O ATOM 2249 CB TRP H 237 28.653 4.774 24.899 1.00 38.28 C ATOM 2250 CG TRP H 237 29.051 4.128 23.603 1.00 42.20 C ATOM 2251 CD1 TRP H 237 30.308 3.900 23.208 1.00 44.87 C ATOM 2252 CD2 TRP H 237 28.207 3.686 22.505 1.00 44.02 C ATOM 2253 NE1 TRP H 237 30.330 3.344 21.956 1.00 46.48 N ATOM 2254 CE2 TRP H 237 29.070 3.217 21.476 1.00 45.13 C ATOM 2255 CE3 TRP H 237 26.818 3.654 22.282 1.00 42.06 C ATOM 2256 CZ2 TRP H 237 28.605 2.724 20.262 1.00 38.80 C ATOM 2257 CZ3 TRP H 237 26.359 3.208 21.064 1.00 38.55 C ATOM 2258 CH2 TRP H 237 27.237 2.710 20.086 1.00 41.45 C ATOM 2259 N ILE H 238 26.863 6.970 23.712 1.00 54.72 N ATOM 2260 CA ILE H 238 26.099 7.498 22.605 1.00 49.96 C ATOM 2261 C ILE H 238 26.412 8.958 22.398 1.00 43.68 C ATOM 2262 O ILE H 238 26.567 9.386 21.290 1.00 36.43 O ATOM 2263 CB ILE H 238 24.599 7.381 22.879 1.00 45.42 C ATOM 2264 CG1 ILE H 238 24.086 5.956 22.892 1.00 38.00 C ATOM 2265 CG2 ILE H 238 23.828 8.211 21.892 1.00 35.29 C ATOM 2266 CD1 ILE H 238 22.709 5.885 23.552 1.00 34.76 C ATOM 2267 N GLN H 239 26.432 9.731 23.482 1.00 48.38 N ATOM 2268 CA GLN H 239 26.689 11.159 23.335 1.00 53.81 C ATOM 2269 C GLN H 239 27.948 11.401 22.510 1.00 61.15 C ATOM 2270 O GLN H 239 27.939 12.222 21.565 1.00 57.46 O ATOM 2271 CB GLN H 239 26.714 11.939 24.659 1.00 54.31 C ATOM 2272 CG GLN H 239 25.379 11.977 25.409 0.00 66.52 C ATOM 2273 CD GLN H 239 25.506 12.713 26.727 0.00 82.98 C ATOM 2274 OE1 GLN H 239 26.531 12.613 27.418 0.00 78.12 O ATOM 2275 NE2 GLN H 239 24.473 13.476 27.070 0.00 74.76 N ATOM 2276 N LYS H 240 28.996 10.635 22.869 1.00 46.33 N ATOM 2277 CA LYS H 240 30.284 10.649 22.207 1.00 35.28 C ATOM 2278 C LYS H 240 30.101 10.440 20.724 1.00 58.67 C ATOM 2279 O LYS H 240 29.999 11.391 19.948 1.00 78.29 O ATOM 2280 CB LYS H 240 31.162 9.538 22.715 1.00 36.85 C ATOM 2281 CG LYS H 240 31.932 9.860 23.978 1.00 57.10 C ATOM 2282 CD LYS H 240 33.133 8.949 24.197 0.00 68.22 C ATOM 2283 CE LYS H 240 34.257 9.183 23.199 0.00 79.86 C ATOM 2284 NZ LYS H 240 35.419 8.313 23.427 0.00 89.16 N ATOM 2285 N VAL H 241 30.032 9.169 20.346 1.00 46.40 N ATOM 2286 CA VAL H 241 29.870 8.842 18.956 1.00 42.14 C ATOM 2287 C VAL H 241 29.017 9.834 18.213 1.00 44.42 C ATOM 2288 O VAL H 241 29.296 10.168 17.094 1.00 48.79 O ATOM 2289 CB VAL H 241 29.447 7.418 18.655 1.00 44.43 C ATOM 2290 CG1 VAL H 241 29.120 6.658 19.925 1.00 48.58 C ATOM 2291 CG2 VAL H 241 28.306 7.423 17.632 1.00 34.49 C ATOM 2292 N ILE H 242 28.010 10.379 18.847 1.00 54.35 N ATOM 2293 CA ILE H 242 27.242 11.334 18.080 1.00 53.61 C ATOM 2294 C ILE H 242 28.017 12.627 17.935 1.00 59.20 C ATOM 2295 O ILE H 242 28.144 13.210 16.839 1.00 58.96 O ATOM 2296 CB ILE H 242 25.886 11.524 18.658 1.00 56.91 C ATOM 2297 CG1 ILE H 242 24.883 10.672 17.898 1.00 51.40 C ATOM 2298 CG2 ILE H 242 25.529 12.976 18.543 1.00 72.01 C ATOM 2299 CD1 ILE H 242 23.606 10.506 18.698 1.00 40.60 C ATOM 2300 N ASP H 243 28.623 13.027 19.045 1.00 58.21 N ATOM 2301 CA ASP H 243 29.434 14.223 19.008 1.00 61.41 C ATOM 2302 C ASP H 243 30.591 14.094 18.013 1.00 74.99 C ATOM 2303 O ASP H 243 30.729 14.902 17.092 1.00 82.10 O ATOM 2304 CB ASP H 243 29.850 14.711 20.415 1.00 59.93 C ATOM 2305 CG ASP H 243 30.627 13.707 21.207 0.00 67.79 C ATOM 2306 OD1 ASP H 243 31.480 12.988 20.724 0.00 68.01 O ATOM 2307 OD2 ASP H 243 30.275 13.678 22.467 0.00 73.40 O ATOM 2308 N GLN H 244 31.389 13.035 18.155 1.00 67.09 N ATOM 2309 CA GLN H 244 32.519 12.754 17.274 1.00 59.59 C ATOM 2310 C GLN H 244 32.229 12.482 15.797 1.00 74.21 C ATOM 2311 O GLN H 244 33.129 12.638 14.986 1.00 73.01 O ATOM 2312 CB GLN H 244 33.417 11.635 17.845 1.00 50.72 C ATOM 2313 CG GLN H 244 34.850 11.614 17.288 0.00 61.31 C ATOM 2314 CD GLN H 244 35.668 10.460 17.843 0.00 76.96 C ATOM 2315 OE1 GLN H 244 35.214 9.730 18.737 0.00 72.10 O ATOM 2316 NE2 GLN H 244 36.872 10.285 17.306 0.00 68.74 N ATOM 2317 N PHE H 245 31.062 11.965 15.436 1.00 75.91 N ATOM 2318 CA PHE H 245 30.737 11.595 14.049 1.00 75.58 C ATOM 2319 C PHE H 245 29.789 12.399 13.180 1.00 89.03 C ATOM 2320 O PHE H 245 29.452 11.994 12.107 1.00 91.98 O ATOM 2321 CB PHE H 245 30.674 10.045 13.725 1.00 75.97 C ATOM 2322 CG PHE H 245 31.797 9.231 14.317 1.00 73.87 C ATOM 2323 CD1 PHE H 245 33.060 9.170 13.738 1.00 82.18 C ATOM 2324 CD2 PHE H 245 31.565 8.542 15.494 1.00 74.55 C ATOM 2325 CE1 PHE H 245 34.077 8.416 14.314 1.00 85.28 C ATOM 2326 CE2 PHE H 245 32.568 7.805 16.104 1.00 79.23 C ATOM 2327 CZ PHE H 245 33.823 7.750 15.506 1.00 83.85 C ATOM 2328 N GLY H 246 29.469 13.638 13.600 1.00 90.10 N ATOM 2329 CA GLY H 246 28.686 14.630 12.848 1.00 87.36 C ATOM 2330 C GLY H 246 27.166 14.876 13.001 1.00 88.73 C ATOM 2331 O GLY H 246 26.657 15.942 12.635 0.00 87.92 O ATOM 2332 N GLU H 247 26.458 13.855 13.452 0.00 74.43 N ATOM 2333 CA GLU H 247 25.038 13.929 13.547 0.00 52.99 C ATOM 2334 C GLU H 247 24.363 13.998 12.189 0.00 56.87 C ATOM 2335 O GLU H 247 24.158 15.127 11.693 0.00 57.23 O ATOM 2336 CB GLU H 247 24.573 15.099 14.435 0.00 52.94 C ATOM 2337 CG GLU H 247 23.068 15.399 14.268 0.00 60.74 C ATOM 2338 CD GLU H 247 22.579 16.536 15.120 0.00 76.73 C ATOM 2339 OE1 GLU H 247 23.154 16.912 16.125 0.00 69.83 O ATOM 2340 OE2 GLU H 247 21.467 17.066 14.673 0.00 69.57 O ATOM 2341 OXT GLU H 247 24.054 12.923 11.632 0.00 76.51 O TER 2342 GLU H 247 HETATM 2343 N CHG I 1 17.044 -11.895 20.471 1.00 33.44 N HETATM 2344 CA CHG I 1 17.051 -13.344 20.477 1.00 36.81 C HETATM 2345 C CHG I 1 16.088 -13.851 21.532 1.00 39.94 C HETATM 2346 O CHG I 1 16.135 -13.491 22.709 1.00 42.17 O HETATM 2347 C1 CHG I 1 18.453 -14.045 20.729 1.00 44.66 C HETATM 2348 C2 CHG I 1 19.304 -13.289 21.731 1.00 90.84 C HETATM 2349 C3 CHG I 1 20.489 -14.147 22.135 1.00 56.91 C HETATM 2350 C4 CHG I 1 21.352 -14.351 20.921 1.00 49.00 C HETATM 2351 C5 CHG I 1 20.518 -15.075 19.866 1.00 78.90 C HETATM 2352 C6 CHG I 1 19.283 -14.262 19.482 1.00 78.96 C ATOM 2353 N ARG I 2 15.202 -14.726 21.111 1.00 47.51 N ATOM 2354 CA ARG I 2 14.360 -15.464 22.021 1.00 50.55 C ATOM 2355 C ARG I 2 15.021 -16.844 21.926 1.00 79.18 C ATOM 2356 O ARG I 2 14.911 -17.534 20.904 1.00 97.46 O ATOM 2357 CB ARG I 2 12.874 -15.425 21.586 1.00 35.66 C ATOM 2358 CG ARG I 2 12.248 -14.036 21.841 1.00 32.47 C ATOM 2359 CD ARG I 2 12.648 -13.550 23.225 1.00 69.01 C ATOM 2360 NE ARG I 2 12.126 -12.255 23.669 1.00 42.20 N ATOM 2361 CZ ARG I 2 11.301 -12.083 24.736 1.00 44.31 C ATOM 2362 NH1 ARG I 2 10.797 -13.080 25.471 1.00 46.05 N ATOM 2363 NH2 ARG I 2 10.946 -10.863 25.078 1.00 43.44 N HETATM 2364 C1 NAL I 3 18.376 -17.170 24.757 1.00 43.15 C HETATM 2365 C2 NAL I 3 18.471 -18.139 23.824 1.00 44.29 C HETATM 2366 C3 NAL I 3 19.608 -18.277 23.043 1.00 86.67 C HETATM 2367 C4 NAL I 3 20.687 -17.492 23.271 1.00 38.90 C HETATM 2368 C4A NAL I 3 20.606 -16.485 24.209 1.00 72.44 C HETATM 2369 C5 NAL I 3 21.705 -15.652 24.416 1.00 76.04 C HETATM 2370 C6 NAL I 3 21.624 -14.677 25.376 1.00 75.01 C HETATM 2371 C7 NAL I 3 20.447 -14.528 26.145 1.00 66.52 C HETATM 2372 C8 NAL I 3 19.370 -15.344 25.947 1.00 74.40 C HETATM 2373 C8A NAL I 3 19.447 -16.333 24.973 1.00 64.06 C HETATM 2374 C9 NAL I 3 17.337 -19.047 23.621 1.00 71.65 C HETATM 2375 CA NAL I 3 16.443 -18.555 22.552 1.00 74.99 C HETATM 2376 C NAL I 3 15.377 -19.586 22.339 0.00 76.44 C HETATM 2377 N NAL I 3 15.855 -17.272 22.858 1.00 75.26 N HETATM 2378 O NAL I 3 14.748 -20.036 23.286 0.00 31.71 O ATOM 2379 N ASP I 16 7.781 -13.146 1.788 1.00 84.45 N ATOM 2380 CA ASP I 16 6.442 -12.728 1.365 1.00 83.61 C ATOM 2381 C ASP I 16 6.223 -11.214 1.178 1.00 70.86 C ATOM 2382 O ASP I 16 5.065 -10.723 1.181 1.00 57.73 O ATOM 2383 CB ASP I 16 5.333 -13.344 2.253 1.00 86.82 C ATOM 2384 CG ASP I 16 4.945 -12.536 3.493 1.00 81.67 C ATOM 2385 OD1 ASP I 16 5.743 -11.880 4.169 1.00 83.66 O ATOM 2386 OD2 ASP I 16 3.708 -12.788 3.879 1.00 83.76 O ATOM 2387 N TYR I 17 7.302 -10.461 1.096 1.00 55.02 N ATOM 2388 CA TYR I 17 7.161 -9.033 1.009 1.00 43.50 C ATOM 2389 C TYR I 17 6.964 -8.575 -0.401 1.00 57.92 C ATOM 2390 O TYR I 17 7.545 -9.095 -1.331 1.00 65.93 O ATOM 2391 CB TYR I 17 8.299 -8.245 1.741 1.00 48.98 C ATOM 2392 CG TYR I 17 8.415 -8.559 3.235 1.00 58.57 C ATOM 2393 CD1 TYR I 17 8.685 -9.864 3.660 1.00 69.56 C ATOM 2394 CD2 TYR I 17 8.292 -7.577 4.221 1.00 56.77 C ATOM 2395 CE1 TYR I 17 8.785 -10.208 5.000 1.00 67.03 C ATOM 2396 CE2 TYR I 17 8.385 -7.892 5.575 1.00 53.60 C ATOM 2397 CZ TYR I 17 8.640 -9.215 5.960 1.00 61.17 C ATOM 2398 OH TYR I 17 8.705 -9.581 7.274 1.00 68.13 O ATOM 2399 N GLU I 18 6.100 -7.584 -0.510 1.00 65.83 N ATOM 2400 CA GLU I 18 5.813 -6.904 -1.745 1.00 58.91 C ATOM 2401 C GLU I 18 7.133 -6.339 -2.238 1.00 66.38 C ATOM 2402 O GLU I 18 8.000 -5.960 -1.460 1.00 68.62 O ATOM 2403 CB GLU I 18 4.837 -5.762 -1.446 1.00 57.20 C ATOM 2404 CG GLU I 18 4.912 -4.601 -2.453 1.00 53.07 C ATOM 2405 CD GLU I 18 3.574 -3.915 -2.490 1.00 78.93 C ATOM 2406 OE1 GLU I 18 2.721 -4.162 -1.651 1.00 83.05 O ATOM 2407 OE2 GLU I 18 3.392 -3.099 -3.514 1.00 69.55 O ATOM 2408 N GLU I 19 7.336 -6.308 -3.534 1.00 75.22 N ATOM 2409 CA GLU I 19 8.603 -5.781 -3.983 1.00 72.89 C ATOM 2410 C GLU I 19 8.751 -4.289 -3.796 1.00 67.34 C ATOM 2411 O GLU I 19 7.824 -3.477 -3.702 1.00 78.63 O ATOM 2412 CB GLU I 19 9.034 -6.187 -5.410 1.00 75.02 C ATOM 2413 CG GLU I 19 8.839 -5.047 -6.448 1.00 76.65 C ATOM 2414 CD GLU I 19 8.559 -5.575 -7.829 0.00 89.20 C ATOM 2415 OE1 GLU I 19 9.111 -6.557 -8.290 0.00 80.87 O ATOM 2416 OE2 GLU I 19 7.657 -4.877 -8.475 0.00 80.61 O ATOM 2417 N ILE I 20 10.004 -3.967 -3.727 1.00 53.18 N ATOM 2418 CA ILE I 20 10.489 -2.637 -3.610 1.00 49.12 C ATOM 2419 C ILE I 20 11.047 -2.317 -4.972 1.00 70.94 C ATOM 2420 O ILE I 20 11.720 -3.140 -5.626 1.00 73.47 O ATOM 2421 CB ILE I 20 11.643 -2.699 -2.650 1.00 48.59 C ATOM 2422 CG1 ILE I 20 11.173 -2.637 -1.259 1.00 42.71 C ATOM 2423 CG2 ILE I 20 12.633 -1.583 -2.859 1.00 53.58 C ATOM 2424 CD1 ILE I 20 12.363 -2.333 -0.394 1.00 68.14 C ATOM 2425 N PRO I 21 10.760 -1.107 -5.384 1.00 76.39 N ATOM 2426 CA PRO I 21 11.231 -0.567 -6.641 1.00 80.52 C ATOM 2427 C PRO I 21 12.741 -0.277 -6.584 1.00 88.75 C ATOM 2428 O PRO I 21 13.196 0.616 -5.858 1.00 77.54 O ATOM 2429 CB PRO I 21 10.390 0.704 -6.822 1.00 84.35 C ATOM 2430 CG PRO I 21 9.230 0.643 -5.820 1.00 83.79 C ATOM 2431 CD PRO I 21 9.432 -0.604 -4.987 1.00 77.29 C HETATM 2432 N AIB I 22 13.516 -1.073 -7.336 1.00 96.77 N HETATM 2433 CA AIB I 22 14.977 -1.040 -7.396 1.00 94.69 C HETATM 2434 C AIB I 22 15.579 0.359 -7.280 1.00 94.14 C HETATM 2435 O AIB I 22 16.645 0.566 -6.660 1.00 80.00 O HETATM 2436 CB1 AIB I 22 15.421 -1.664 -8.707 0.00 80.00 C HETATM 2437 CB2 AIB I 22 15.494 -1.889 -6.256 0.00 42.23 C HETATM 2438 N AIB I 23 14.883 1.331 -7.859 1.00 79.17 N HETATM 2439 CA AIB I 23 15.323 2.717 -7.844 1.00 74.72 C HETATM 2440 C AIB I 23 16.069 3.057 -6.561 1.00 62.90 C HETATM 2441 O AIB I 23 16.850 4.007 -6.507 0.00 62.07 O HETATM 2442 CB1 AIB I 23 14.103 3.618 -7.974 0.00 50.00 C HETATM 2443 CB2 AIB I 23 16.241 2.951 -9.032 0.00 50.00 C ATOM 2444 N TYR I 24 15.786 2.286 -5.520 0.00 50.34 N ATOM 2445 CA TYR I 24 16.400 2.496 -4.231 0.00 46.27 C ATOM 2446 C TYR I 24 17.701 1.728 -4.033 0.00 49.78 C ATOM 2447 O TYR I 24 18.593 2.194 -3.329 0.00 48.83 O ATOM 2448 CB TYR I 24 15.397 2.287 -3.081 0.00 44.83 C ATOM 2449 CG TYR I 24 14.186 3.185 -3.221 0.00 43.27 C ATOM 2450 CD1 TYR I 24 13.093 2.802 -3.998 0.00 43.24 C ATOM 2451 CD2 TYR I 24 14.150 4.434 -2.600 0.00 44.72 C ATOM 2452 CE1 TYR I 24 11.980 3.631 -4.146 0.00 43.87 C ATOM 2453 CE2 TYR I 24 13.047 5.278 -2.734 0.00 45.06 C ATOM 2454 CZ TYR I 24 11.962 4.873 -3.508 0.00 50.94 C ATOM 2455 OH TYR I 24 10.874 5.693 -3.649 0.00 51.73 O HETATM 2456 N ALC I 25 17.824 0.560 -4.665 0.00 47.83 N HETATM 2457 CA ALC I 25 19.017 -0.263 -4.529 0.00 48.63 C HETATM 2458 C ALC I 25 20.292 0.363 -5.080 0.00 55.01 C HETATM 2459 O ALC I 25 20.837 -0.128 -6.064 0.00 54.99 O HETATM 2460 CB ALC I 25 18.828 -1.646 -5.131 0.00 51.40 C HETATM 2461 CG ALC I 25 17.639 -2.355 -4.520 0.00 54.64 C HETATM 2462 CD2 ALC I 25 17.570 -2.086 -3.030 0.00 50.00 C HETATM 2463 CE2 ALC I 25 16.335 -2.764 -2.466 0.00 50.00 C HETATM 2464 CZ ALC I 25 16.428 -4.262 -2.714 0.00 56.65 C HETATM 2465 CE1 ALC I 25 16.510 -4.532 -4.208 0.00 50.00 C HETATM 2466 CD1 ALC I 25 17.742 -3.848 -4.773 0.00 50.00 C HETATM 2467 N DGL I 26 20.759 1.418 -4.415 0.00 52.09 N HETATM 2468 CA DGL I 26 21.983 2.135 -4.774 0.00 54.44 C HETATM 2469 C DGL I 26 22.579 1.742 -6.122 0.00 62.04 C HETATM 2470 O DGL I 26 23.482 0.879 -6.135 0.00 62.84 O HETATM 2471 CB DGL I 26 21.835 3.663 -4.642 0.00 77.92 C HETATM 2472 CG DGL I 26 20.948 4.284 -5.735 0.00 35.49 C HETATM 2473 CD DGL I 26 20.698 5.749 -5.530 0.00 38.14 C HETATM 2474 OE1 DGL I 26 19.786 6.352 -6.065 0.00 35.56 O HETATM 2475 OE2 DGL I 26 21.567 6.306 -4.722 0.00 20.43 O HETATM 2476 OXT DGL I 26 22.128 2.282 -7.155 0.00 82.12 O TER 2477 DGL I 26 HETATM 2478 C1 NAG H 400 31.986 -8.260 10.862 0.00 55.00 C HETATM 2479 C2 NAG H 400 33.049 -8.574 11.874 0.00 55.00 C HETATM 2480 C3 NAG H 400 34.424 -7.954 11.704 0.00 55.00 C HETATM 2481 C4 NAG H 400 34.643 -7.408 10.319 0.00 55.00 C HETATM 2482 C5 NAG H 400 33.459 -7.223 9.342 0.00 55.00 C HETATM 2483 C6 NAG H 400 33.757 -6.574 7.993 0.00 55.00 C HETATM 2484 C7 NAG H 400 33.409 -10.523 13.568 0.00 55.00 C HETATM 2485 C8 NAG H 400 33.426 -11.772 12.709 0.00 55.00 C HETATM 2486 N2 NAG H 400 32.685 -9.488 13.012 0.00 55.00 N HETATM 2487 O3 NAG H 400 35.589 -8.494 12.375 0.00 55.00 O HETATM 2488 O4 NAG H 400 35.932 -6.790 9.994 0.00 55.00 O HETATM 2489 O5 NAG H 400 32.423 -8.192 9.495 0.00 55.00 O HETATM 2490 O6 NAG H 400 32.771 -6.344 7.026 0.00 55.00 O HETATM 2491 O7 NAG H 400 33.004 -10.762 14.706 0.00 55.00 O HETATM 2492 O HOH L 416 -2.833 0.829 34.338 1.00 45.82 O HETATM 2493 O HOH L 421 -5.219 10.997 15.167 1.00 50.28 O HETATM 2494 O HOH L 423 2.370 1.405 39.986 1.00 51.89 O HETATM 2495 O HOH L 425 -1.487 11.692 23.373 1.00 56.34 O HETATM 2496 O HOH L 442 -8.081 8.207 24.119 1.00 89.94 O HETATM 2497 O HOH L 449 -1.573 0.398 37.315 1.00 65.24 O HETATM 2498 O HOH L 459 -4.776 20.236 12.903 1.00 58.20 O HETATM 2499 O HOH L 463 -5.241 -2.205 32.229 1.00 76.44 O HETATM 2500 O HOH L 464 13.954 18.677 24.212 1.00 71.58 O HETATM 2501 O HOH H 401 19.505 -16.539 38.776 1.00 29.03 O HETATM 2502 O HOH H 402 21.510 -6.687 27.182 1.00 34.84 O HETATM 2503 O HOH H 403 5.860 3.926 12.520 1.00 37.47 O HETATM 2504 O HOH H 404 3.693 5.412 21.292 1.00 26.16 O HETATM 2505 O HOH H 405 13.317 -8.478 25.576 1.00 32.63 O HETATM 2506 O HOH H 406 1.837 3.122 13.581 1.00 53.32 O HETATM 2507 O HOH H 407 1.781 4.782 10.678 1.00 35.72 O HETATM 2508 O HOH H 408 8.640 -8.132 27.972 1.00 30.43 O HETATM 2509 O HOH H 409 17.582 3.714 30.130 1.00 47.96 O HETATM 2510 O HOH H 410 13.548 -14.522 32.207 1.00 40.70 O HETATM 2511 O HOH H 411 29.556 3.258 28.451 1.00 74.54 O HETATM 2512 O HOH H 412 8.015 5.480 11.537 1.00 32.28 O HETATM 2513 O HOH H 413 13.958 -4.348 35.942 1.00 77.68 O HETATM 2514 O HOH H 414 2.148 10.975 14.287 1.00 38.11 O HETATM 2515 O HOH H 415 3.605 -10.668 30.567 1.00 43.48 O HETATM 2516 O HOH H 417 10.022 -3.969 16.941 1.00 33.32 O HETATM 2517 O HOH H 418 9.861 -5.516 14.740 1.00 39.03 O HETATM 2518 O HOH H 419 1.527 -2.235 36.658 1.00 77.16 O HETATM 2519 O HOH H 420 -4.182 9.076 13.664 1.00 49.83 O HETATM 2520 O HOH H 422 5.852 10.308 5.399 1.00 35.48 O HETATM 2521 O HOH H 424 8.744 2.330 9.766 1.00 33.33 O HETATM 2522 O HOH H 426 9.136 -15.922 27.434 1.00 36.06 O HETATM 2523 O HOH H 427 27.916 5.490 29.887 1.00 57.16 O HETATM 2524 O HOH H 428 29.159 0.991 30.195 1.00 59.81 O HETATM 2525 O HOH H 429 0.851 1.363 -4.540 1.00 44.46 O HETATM 2526 O HOH H 430 -0.002 -8.998 19.140 1.00 42.11 O HETATM 2527 O HOH H 431 22.701 0.782 3.783 1.00 68.32 O HETATM 2528 O HOH H 432 12.646 -18.697 39.646 1.00 58.63 O HETATM 2529 O HOH H 433 -5.608 3.415 13.316 1.00 67.74 O HETATM 2530 O HOH H 434 5.285 -7.520 36.906 1.00 34.15 O HETATM 2531 O HOH H 435 1.936 4.895 7.996 1.00 41.67 O HETATM 2532 O HOH H 436 -6.519 6.919 15.357 1.00 65.51 O HETATM 2533 O HOH H 437 15.448 0.780 19.512 1.00 33.37 O HETATM 2534 O HOH H 438 5.996 -5.044 38.128 1.00 55.04 O HETATM 2535 O HOH H 439 -0.518 -12.647 19.929 1.00 42.26 O HETATM 2536 O HOH H 440 9.951 14.260 31.820 1.00 64.61 O HETATM 2537 O HOH H 441 -1.579 -7.190 27.447 1.00 57.98 O HETATM 2538 O HOH H 443 3.837 6.280 11.604 1.00 41.81 O HETATM 2539 O HOH H 444 22.961 -4.627 28.213 1.00 31.32 O HETATM 2540 O HOH H 445 -2.107 -3.140 23.542 1.00 54.70 O HETATM 2541 O HOH H 446 21.197 -18.355 38.924 1.00 52.14 O HETATM 2542 O HOH H 447 7.058 -10.917 29.397 1.00 45.24 O HETATM 2543 O HOH H 448 -1.067 16.937 11.182 1.00 75.24 O HETATM 2544 O HOH H 451 -1.338 -3.297 26.077 1.00 79.45 O HETATM 2545 O HOH H 452 4.355 11.818 3.035 1.00 66.79 O HETATM 2546 O HOH H 453 25.912 -15.488 23.333 1.00 50.44 O HETATM 2547 O HOH H 454 7.287 1.483 21.495 1.00 34.26 O HETATM 2548 O HOH H 455 12.093 -12.934 12.405 1.00 93.57 O HETATM 2549 O HOH H 457 24.945 -17.432 29.157 1.00 60.03 O HETATM 2550 O HOH H 458 10.926 -15.177 38.990 1.00 60.85 O HETATM 2551 O HOH H 460 -6.076 -5.157 17.660 1.00 43.49 O HETATM 2552 O HOH H 461 21.951 16.065 9.732 1.00 63.15 O HETATM 2553 O HOH H 462 6.443 3.305 20.418 1.00 48.50 O HETATM 2554 O HOH H 465 33.706 1.011 31.701 1.00 74.66 O HETATM 2555 O HOH H 466 19.431 -10.259 13.021 1.00 53.36 O HETATM 2556 O HOH H 467 5.886 -13.694 30.587 1.00 43.60 O HETATM 2557 O HOH H 468 19.837 -14.884 12.496 1.00 79.55 O HETATM 2558 O HOH H 469 18.368 -12.497 11.515 1.00 82.42 O HETATM 2559 O HOH H 470 16.915 -10.613 18.723 1.00 37.93 O HETATM 2560 O HOH H 471 17.538 -11.193 15.873 1.00 60.65 O HETATM 2561 O HOH H 472 15.853 -13.540 15.782 1.00 79.20 O HETATM 2562 O HOH H 473 23.881 11.675 7.346 1.00 65.82 O HETATM 2563 O HOH H 474 33.824 -7.333 25.956 1.00 87.69 O HETATM 2564 O HOH H 475 4.105 -19.864 25.116 1.00 81.37 O HETATM 2565 O HOH H 476 9.281 12.257 4.824 1.00 75.52 O HETATM 2566 O HOH H 477 6.255 -11.522 32.321 1.00 74.62 O HETATM 2567 O HOH H 478 15.277 16.641 9.077 1.00 75.09 O HETATM 2568 O HOH I 450 11.253 -14.038 27.826 1.00 47.29 O HETATM 2569 O HOH I 456 13.563 -10.042 21.226 1.00 55.30 O CONECT 60 1274 CONECT 507 625 CONECT 625 507 CONECT 706 2478 CONECT 1274 60 CONECT 1643 1759 CONECT 1759 1643 CONECT 1860 2093 CONECT 2093 1860 CONECT 2343 2344 CONECT 2344 2343 2345 2347 CONECT 2345 2344 2346 2353 CONECT 2346 2345 CONECT 2347 2344 2348 2352 CONECT 2348 2347 2349 CONECT 2349 2348 2350 CONECT 2350 2349 2351 CONECT 2351 2350 2352 CONECT 2352 2347 2351 CONECT 2353 2345 CONECT 2355 2377 CONECT 2364 2365 2373 CONECT 2365 2364 2366 2374 CONECT 2366 2365 2367 CONECT 2367 2366 2368 CONECT 2368 2367 2369 2373 CONECT 2369 2368 2370 CONECT 2370 2369 2371 CONECT 2371 2370 2372 CONECT 2372 2371 2373 CONECT 2373 2364 2368 2372 CONECT 2374 2365 2375 CONECT 2375 2374 2376 2377 CONECT 2376 2375 2378 CONECT 2377 2355 2375 CONECT 2378 2376 CONECT 2427 2432 CONECT 2432 2427 2433 CONECT 2433 2432 2434 2436 2437 CONECT 2434 2433 2435 2438 CONECT 2435 2434 CONECT 2436 2433 CONECT 2437 2433 CONECT 2438 2434 2439 CONECT 2439 2438 2440 2442 2443 CONECT 2440 2439 2441 2444 CONECT 2441 2440 CONECT 2442 2439 CONECT 2443 2439 CONECT 2444 2440 CONECT 2446 2456 CONECT 2456 2446 2457 CONECT 2457 2456 2458 2460 CONECT 2458 2457 2459 2467 CONECT 2459 2458 CONECT 2460 2457 2461 CONECT 2461 2460 2462 2466 CONECT 2462 2461 2463 CONECT 2463 2462 2464 CONECT 2464 2463 2465 CONECT 2465 2464 2466 CONECT 2466 2461 2465 CONECT 2467 2458 2468 CONECT 2468 2467 2469 2471 CONECT 2469 2468 2470 2476 CONECT 2470 2469 CONECT 2471 2468 2472 CONECT 2472 2471 2473 CONECT 2473 2472 2474 2475 CONECT 2474 2473 CONECT 2475 2473 CONECT 2476 2469 CONECT 2478 706 2479 2489 CONECT 2479 2478 2480 2486 CONECT 2480 2479 2481 2487 CONECT 2481 2480 2482 2488 CONECT 2482 2481 2483 2489 CONECT 2483 2482 2490 CONECT 2484 2485 2486 2491 CONECT 2485 2484 CONECT 2486 2479 2484 CONECT 2487 2480 CONECT 2488 2481 CONECT 2489 2478 2482 CONECT 2490 2483 CONECT 2491 2484 MASTER 470 0 7 9 13 0 0 6 2566 3 86 25 END
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Complexes with the same small molecule ligand
PDB Code
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Ligand Name
1gng
RCSB PDB
PDBbind
26-mer
2wh6
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PDBbind
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3ixt
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PDBbind
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RCSB PDB
PDBbind
26-mer
Entry Information
PDB ID
4thn
Complex Type
Protein-Protein
PDBbind Subset
general set
Protein Name
thrombin alpha
Ligand Name
26-mer
EC.Number
E.C.3.4.21.5
Resolution
2.5(Å)
Affinity (Kd/Ki/IC50)
Ki=0.09nM
Release Year
1999
Protein/NA Sequence
Check fasta file
Primary Reference
Protein Sci. v8 pp. 91-5, 1999
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
P00734
Entrez Gene ID
NCBI Entrez Gene ID:
2147
ASD
Information of known allosteric effects of PDB entries
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