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*** HYDROLASE 01-APR-22 7XF6 ***elNémo ID: 2408050717412757458Job options:ID = 2408050717412757458 JOBID = HYDROLASE 01-APR-22 7XF6 USERID = unknown PRIVAT = 0 NMODES = 5 DQMIN = -100 DQMAX = 100 DQSTEP = 20 DOGRAPHS = on DOPROJMODS = 0 DORMSD = 0 NRBL = 0 CUTOFF = 0 CAONLY = 0 Input data for this run:HEADER HYDROLASE 01-APR-22 7XF6 TITLE CRYSTAL STRUCTURE OF HUMAN LYSOZYME COMPND MOL_ID: 1; COMPND 2 MOLECULE: LYSOZYME C; COMPND 3 CHAIN: A; COMPND 4 SYNONYM: 1,4-BETA-N-ACETYLMURAMIDASE C; COMPND 5 EC: 3.2.1.17; COMPND 6 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; SOURCE 3 ORGANISM_COMMON: HUMAN; SOURCE 4 ORGANISM_TAXID: 9606; SOURCE 5 GENE: LYZ, LZM; SOURCE 6 EXPRESSION_SYSTEM: ORYZA SATIVA; SOURCE 7 EXPRESSION_SYSTEM_TAXID: 4530 KEYWDS LYSOZYME, HUMAN, HYDROLASE EXPDTA X-RAY DIFFRACTION AUTHOR K.H.NAM REVDAT 3 29-NOV-23 7XF6 1 JRNL REVDAT 2 26-OCT-22 7XF6 1 JRNL REVDAT 1 13-APR-22 7XF6 0 JRNL AUTH K.H.NAM JRNL TITL CRYSTAL STRUCTURE OF HUMAN LYSOZYME COMPLEXED WITH JRNL TITL 2 N-ACETYL-ALPHA-D-GLUCOSAMINE. JRNL REF APPL SCI (BASEL) V. 12 2022 JRNL REFN ESSN 2076-3417 JRNL DOI 10.3390/APP12094363 REMARK 2 REMARK 2 RESOLUTION. 1.30 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : PHENIX 1.18.2_3874 REMARK 3 AUTHORS : PAUL ADAMS,PAVEL AFONINE,VINCENT CHEN,IAN REMARK 3 : DAVIS,KRESHNA GOPAL,RALF GROSSE-KUNSTLEVE, REMARK 3 : LI-WEI HUNG,ROBERT IMMORMINO,TOM IOERGER, REMARK 3 : AIRLIE MCCOY,ERIK MCKEE,NIGEL MORIARTY, REMARK 3 : REETAL PAI,RANDY READ,JANE RICHARDSON, REMARK 3 : DAVID RICHARDSON,TOD ROMO,JIM SACCHETTINI, REMARK 3 : NICHOLAS SAUTER,JACOB SMITH,LAURENT REMARK 3 : STORONI,TOM TERWILLIGER,PETER ZWART REMARK 3 REMARK 3 REFINEMENT TARGET : ML REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 1.30 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 29.06 REMARK 3 MIN(FOBS/SIGMA_FOBS) : 1.340 REMARK 3 COMPLETENESS FOR RANGE (%) : 99.6 REMARK 3 NUMBER OF REFLECTIONS : 28495 REMARK 3 REMARK 3 FIT TO DATA USED IN REFINEMENT. REMARK 3 R VALUE (WORKING + TEST SET) : 0.153 REMARK 3 R VALUE (WORKING SET) : 0.151 REMARK 3 FREE R VALUE : 0.171 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 6.930 REMARK 3 FREE R VALUE TEST SET COUNT : 1976 REMARK 3 REMARK 3 FIT TO DATA USED IN REFINEMENT (IN BINS). REMARK 3 BIN RESOLUTION RANGE COMPL. NWORK NFREE RWORK RFREE REMARK 3 1 29.0600 - 3.1300 0.99 2040 153 0.1509 0.1554 REMARK 3 2 3.1300 - 2.4900 1.00 1942 147 0.1491 0.1761 REMARK 3 3 2.4900 - 2.1700 1.00 1912 143 0.1375 0.1498 REMARK 3 4 2.1700 - 1.9700 1.00 1913 139 0.1390 0.1504 REMARK 3 5 1.9700 - 1.8300 1.00 1906 136 0.1579 0.1784 REMARK 3 6 1.8300 - 1.7200 1.00 1896 146 0.1386 0.1764 REMARK 3 7 1.7200 - 1.6400 1.00 1883 145 0.1421 0.2027 REMARK 3 8 1.6400 - 1.5700 1.00 1892 129 0.1497 0.1628 REMARK 3 9 1.5700 - 1.5100 1.00 1868 150 0.1594 0.1820 REMARK 3 10 1.5100 - 1.4500 1.00 1869 137 0.1718 0.2037 REMARK 3 11 1.4500 - 1.4100 1.00 1882 142 0.1673 0.1972 REMARK 3 12 1.4100 - 1.3700 1.00 1864 133 0.1802 0.2003 REMARK 3 13 1.3700 - 1.3300 0.99 1834 150 0.1792 0.2194 REMARK 3 14 1.3300 - 1.3000 0.96 1818 126 0.2055 0.2056 REMARK 3 REMARK 3 BULK SOLVENT MODELLING. REMARK 3 METHOD USED : FLAT BULK SOLVENT MODEL REMARK 3 SOLVENT RADIUS : 1.11 REMARK 3 SHRINKAGE RADIUS : 0.90 REMARK 3 K_SOL : NULL REMARK 3 B_SOL : NULL REMARK 3 REMARK 3 ERROR ESTIMATES. REMARK 3 COORDINATE ERROR (MAXIMUM-LIKELIHOOD BASED) : 0.110 REMARK 3 PHASE ERROR (DEGREES, MAXIMUM-LIKELIHOOD BASED) : 16.860 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : NULL REMARK 3 MEAN B VALUE (OVERALL, A**2) : 14.93 REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : NULL REMARK 3 B22 (A**2) : NULL REMARK 3 B33 (A**2) : NULL REMARK 3 B12 (A**2) : NULL REMARK 3 B13 (A**2) : NULL REMARK 3 B23 (A**2) : NULL REMARK 3 REMARK 3 TWINNING INFORMATION. REMARK 3 FRACTION: NULL REMARK 3 OPERATOR: NULL REMARK 3 REMARK 3 DEVIATIONS FROM IDEAL VALUES. REMARK 3 RMSD COUNT REMARK 3 BOND : NULL NULL REMARK 3 ANGLE : NULL NULL REMARK 3 CHIRALITY : NULL NULL REMARK 3 PLANARITY : NULL NULL REMARK 3 DIHEDRAL : NULL NULL REMARK 3 REMARK 3 TLS DETAILS REMARK 3 NUMBER OF TLS GROUPS : NULL REMARK 3 REMARK 3 NCS DETAILS REMARK 3 NUMBER OF NCS GROUPS : NULL REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 7XF6 COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBJ ON 04-APR-22. REMARK 100 THE DEPOSITION ID IS D_1300028703. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : 19-FEB-22 REMARK 200 TEMPERATURE (KELVIN) : 100 REMARK 200 PH : NULL REMARK 200 NUMBER OF CRYSTALS USED : 1 REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : Y REMARK 200 RADIATION SOURCE : PAL/PLS REMARK 200 BEAMLINE : 7A (6B, 6C1) REMARK 200 X-RAY GENERATOR MODEL : NULL REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M REMARK 200 WAVELENGTH OR RANGE (A) : 0.979 REMARK 200 MONOCHROMATOR : NULL REMARK 200 OPTICS : NULL REMARK 200 REMARK 200 DETECTOR TYPE : CCD REMARK 200 DETECTOR MANUFACTURER : ADSC QUANTUM 270 REMARK 200 INTENSITY-INTEGRATION SOFTWARE : HKL-2000 REMARK 200 DATA SCALING SOFTWARE : HKL-2000 REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 28633 REMARK 200 RESOLUTION RANGE HIGH (A) : 1.300 REMARK 200 RESOLUTION RANGE LOW (A) : 50.000 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : NULL REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 99.5 REMARK 200 DATA REDUNDANCY : 6.400 REMARK 200 R MERGE (I) : NULL REMARK 200 R SYM (I) : NULL REMARK 200 FOR THE DATA SET : 40.4200 REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.30 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 1.32 REMARK 200 COMPLETENESS FOR SHELL (%) : NULL REMARK 200 DATA REDUNDANCY IN SHELL : NULL REMARK 200 R MERGE FOR SHELL (I) : NULL REMARK 200 R SYM FOR SHELL (I) : NULL REMARK 200 FOR SHELL : NULL REMARK 200 REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT REMARK 200 SOFTWARE USED: MOLREP REMARK 200 STARTING MODEL: 7E02 REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 27.96 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 1.71 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: NA-ACETATE, PEG 6K, NACL, BATCH MODE, REMARK 280 TEMPERATURE 277.5K REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 21 21 21 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 -X+1/2,-Y,Z+1/2 REMARK 290 3555 -X,Y+1/2,-Z+1/2 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 16.51750 REMARK 290 SMTRY2 2 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 30.53150 REMARK 290 SMTRY1 3 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 3 0.000000 1.000000 0.000000 28.03100 REMARK 290 SMTRY3 3 0.000000 0.000000 -1.000000 30.53150 REMARK 290 SMTRY1 4 1.000000 0.000000 0.000000 16.51750 REMARK 290 SMTRY2 4 0.000000 -1.000000 0.000000 28.03100 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: MONOMERIC REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: MONOMERIC REMARK 350 SOFTWARE USED: PISA REMARK 350 TOTAL BURIED SURFACE AREA: 220 ANGSTROM**2 REMARK 350 SURFACE AREA OF THE COMPLEX: 6780 ANGSTROM**2 REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -1.0 KCAL/MOL REMARK 350 APPLY THE FOLLOWING TO CHAINS: A REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 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 GLN A 141 OE1 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 O HOH A 355 O HOH A 542 1.81 REMARK 500 O HOH A 417 O HOH A 489 1.85 REMARK 500 O HOH A 425 O HOH A 447 1.95 REMARK 500 O HOH A 524 O HOH A 552 1.96 REMARK 500 O HOH A 338 O HOH A 519 1.98 REMARK 500 O HOH A 459 O HOH A 502 2.03 REMARK 500 O HOH A 429 O HOH A 432 2.13 REMARK 500 O HOH A 308 O HOH A 393 2.13 REMARK 500 O HOH A 423 O HOH A 447 2.13 REMARK 500 O HOH A 454 O HOH A 500 2.14 REMARK 500 O SER A 79 O HOH A 301 2.17 REMARK 500 O HOH A 308 O HOH A 385 2.18 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 HOH A 302 O HOH A 476 4545 1.78 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 A 22 CD GLU A 22 OE1 0.176 REMARK 500 GLU A 22 CD GLU A 22 OE2 0.163 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 GLU A 22 OE1 - CD - OE2 ANGL. DEV. = 8.8 DEGREES REMARK 500 ARG A 137 NE - CZ - NH2 ANGL. DEV. = -3.2 DEGREES REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: TORSION ANGLES REMARK 500 REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) REMARK 500 REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 REMARK 500 REMARK 500 M RES CSSEQI PSI PHI REMARK 500 CYS A 134 -41.91 -133.72 REMARK 500 REMARK 500 REMARK: NULL REMARK 525 REMARK 525 SOLVENT REMARK 525 REMARK 525 THE SOLVENT MOLECULES HAVE CHAIN IDENTIFIERS THAT REMARK 525 INDICATE THE POLYMER CHAIN WITH WHICH THEY ARE MOST REMARK 525 CLOSELY ASSOCIATED. THE REMARK LISTS ALL THE SOLVENT REMARK 525 MOLECULES WHICH ARE MORE THAN 5A AWAY FROM THE REMARK 525 NEAREST POLYMER CHAIN (M = MODEL NUMBER; REMARK 525 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE REMARK 525 NUMBER; I=INSERTION CODE): REMARK 525 REMARK 525 M RES CSSEQI REMARK 525 HOH A 563 DISTANCE = 6.06 ANGSTROMS DBREF 7XF6 A 19 148 UNP P61626 LYSC_HUMAN 19 148 SEQRES 1 A 130 LYS VAL PHE GLU ARG CYS GLU LEU ALA ARG THR LEU LYS SEQRES 2 A 130 ARG LEU GLY MET ASP GLY TYR ARG GLY ILE SER LEU ALA SEQRES 3 A 130 ASN TRP MET CYS LEU ALA LYS TRP GLU SER GLY TYR ASN SEQRES 4 A 130 THR ARG ALA THR ASN TYR ASN ALA GLY ASP ARG SER THR SEQRES 5 A 130 ASP TYR GLY ILE PHE GLN ILE ASN SER ARG TYR TRP CYS SEQRES 6 A 130 ASN ASP GLY LYS THR PRO GLY ALA VAL ASN ALA CYS HIS SEQRES 7 A 130 LEU SER CYS SER ALA LEU LEU GLN ASP ASN ILE ALA ASP SEQRES 8 A 130 ALA VAL ALA CYS ALA LYS ARG VAL VAL ARG ASP PRO GLN SEQRES 9 A 130 GLY ILE ARG ALA TRP VAL ALA TRP ARG ASN ARG CYS GLN SEQRES 10 A 130 ASN ARG ASP VAL ARG GLN TYR VAL GLN GLY CYS GLY VAL HET ACT A 201 7 HETNAM ACT ACETATE ION FORMUL 2 ACT C2 H3 O2 1- FORMUL 3 HOH *263(H2 O) HELIX 1 AA1 GLU A 22 LEU A 33 1 12 HELIX 2 AA2 GLY A 37 ILE A 41 5 5 HELIX 3 AA3 SER A 42 GLY A 55 1 14 HELIX 4 AA4 SER A 98 GLN A 104 5 7 HELIX 5 AA5 ILE A 107 ARG A 119 1 13 HELIX 6 AA6 GLN A 122 ALA A 126 5 5 HELIX 7 AA7 TRP A 127 CYS A 134 1 8 HELIX 8 AA8 VAL A 139 GLN A 144 5 6 SHEET 1 AA1 3 THR A 61 TYR A 63 0 SHEET 2 AA1 3 THR A 70 TYR A 72 -1 O ASP A 71 N ASN A 62 SHEET 3 AA1 3 ILE A 77 ASN A 78 -1 O ILE A 77 N TYR A 72 SSBOND 1 CYS A 24 CYS A 146 1555 1555 2.07 SSBOND 2 CYS A 48 CYS A 134 1555 1555 2.08 SSBOND 3 CYS A 83 CYS A 99 1555 1555 2.07 SSBOND 4 CYS A 95 CYS A 113 1555 1555 2.04 CRYST1 33.035 56.062 61.063 90.00 90.00 90.00 P 21 21 21 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 0.030271 0.000000 0.000000 0.00000 SCALE2 0.000000 0.017837 0.000000 0.00000 SCALE3 0.000000 0.000000 0.016377 0.00000 ATOM 1 N LYS A 19 -10.510 -1.049 10.890 1.00 10.27 N ATOM 2 CA LYS A 19 -11.740 -1.411 10.172 1.00 10.95 C ATOM 3 C LYS A 19 -12.289 -2.681 10.789 1.00 9.75 C ATOM 4 O LYS A 19 -11.543 -3.471 11.379 1.00 10.02 O ATOM 5 CB LYS A 19 -11.416 -1.633 8.682 1.00 11.54 C ATOM 6 CG LYS A 19 -10.508 -2.803 8.390 1.00 11.02 C ATOM 7 CD LYS A 19 -10.548 -3.159 6.875 1.00 14.03 C ATOM 8 CE LYS A 19 -11.774 -3.937 6.508 1.00 13.31 C ATOM 9 NZ LYS A 19 -12.006 -4.014 5.059 1.00 14.37 N ATOM 10 HA LYS A 19 -12.409 -0.711 10.227 1.00 13.14 H ATOM 11 HB2 LYS A 19 -12.247 -1.785 8.207 1.00 13.84 H ATOM 12 HB3 LYS A 19 -10.980 -0.835 8.342 1.00 13.84 H ATOM 13 HG2 LYS A 19 -9.596 -2.576 8.630 1.00 13.22 H ATOM 14 HG3 LYS A 19 -10.801 -3.577 8.897 1.00 13.22 H ATOM 15 HD2 LYS A 19 -10.544 -2.339 6.355 1.00 16.84 H ATOM 16 HD3 LYS A 19 -9.772 -3.696 6.653 1.00 16.84 H ATOM 17 HE2 LYS A 19 -11.682 -4.843 6.843 1.00 15.98 H ATOM 18 HE3 LYS A 19 -12.548 -3.511 6.910 1.00 15.98 H ATOM 19 HZ1 LYS A 19 -12.716 -4.523 4.891 1.00 17.25 H ATOM 20 HZ2 LYS A 19 -12.149 -3.200 4.730 1.00 17.25 H ATOM 21 HZ3 LYS A 19 -11.296 -4.368 4.656 1.00 17.25 H ATOM 22 N VAL A 20 -13.601 -2.864 10.631 1.00 9.28 N ATOM 23 CA VAL A 20 -14.282 -4.109 10.960 1.00 10.27 C ATOM 24 C VAL A 20 -14.505 -4.864 9.669 1.00 10.05 C ATOM 25 O VAL A 20 -15.272 -4.424 8.821 1.00 10.27 O ATOM 26 CB VAL A 20 -15.599 -3.849 11.698 1.00 11.16 C ATOM 27 CG1 VAL A 20 -16.287 -5.142 12.041 1.00 11.81 C ATOM 28 CG2 VAL A 20 -15.244 -3.106 13.004 1.00 13.16 C ATOM 29 H VAL A 20 -14.132 -2.260 10.325 1.00 11.14 H ATOM 30 HA VAL A 20 -13.713 -4.648 11.531 1.00 12.33 H ATOM 31 HB VAL A 20 -16.202 -3.330 11.142 1.00 13.40 H ATOM 32 HG11 VAL A 20 -17.041 -4.954 12.621 1.00 14.18 H ATOM 33 HG12 VAL A 20 -16.595 -5.562 11.223 1.00 14.18 H ATOM 34 HG13 VAL A 20 -15.657 -5.723 12.495 1.00 14.18 H ATOM 35 HG21 VAL A 20 -16.057 -2.951 13.510 1.00 15.80 H ATOM 36 HG22 VAL A 20 -14.632 -3.653 13.521 1.00 15.80 H ATOM 37 HG23 VAL A 20 -14.825 -2.260 12.782 1.00 15.80 H ATOM 38 N PHE A 21 -13.803 -5.989 9.496 1.00 10.00 N ATOM 39 CA PHE A 21 -14.026 -6.798 8.284 1.00 9.20 C ATOM 40 C PHE A 21 -15.383 -7.484 8.352 1.00 8.58 C ATOM 41 O PHE A 21 -15.832 -7.904 9.410 1.00 10.43 O ATOM 42 CB PHE A 21 -13.013 -7.959 8.207 1.00 10.08 C ATOM 43 CG PHE A 21 -11.666 -7.548 7.672 1.00 8.38 C ATOM 44 CD1 PHE A 21 -10.733 -6.969 8.496 1.00 8.92 C ATOM 45 CD2 PHE A 21 -11.343 -7.732 6.318 1.00 10.07 C ATOM 46 CE1 PHE A 21 -9.505 -6.567 8.025 1.00 9.52 C ATOM 47 CE2 PHE A 21 -10.102 -7.373 5.845 1.00 10.00 C ATOM 48 CZ PHE A 21 -9.175 -6.821 6.684 1.00 11.80 C ATOM 49 H PHE A 21 -13.215 -6.298 10.042 1.00 12.00 H ATOM 50 HA PHE A 21 -13.949 -6.208 7.517 1.00 11.04 H ATOM 51 HB2 PHE A 21 -12.881 -8.318 9.098 1.00 12.10 H ATOM 52 HB3 PHE A 21 -13.368 -8.645 7.621 1.00 12.10 H ATOM 53 HD1 PHE A 21 -10.937 -6.846 9.395 1.00 10.70 H ATOM 54 HD2 PHE A 21 -11.971 -8.099 5.738 1.00 12.09 H ATOM 55 HE1 PHE A 21 -8.903 -6.133 8.585 1.00 11.42 H ATOM 56 HE2 PHE A 21 -9.892 -7.506 4.948 1.00 12.00 H ATOM 57 HZ PHE A 21 -8.326 -6.613 6.367 1.00 14.16 H ATOM 58 N GLU A 22 -15.991 -7.640 7.188 1.00 9.98 N ATOM 59 CA GLU A 22 -17.036 -8.631 6.958 1.00 10.99 C ATOM 60 C GLU A 22 -16.393 -10.016 6.895 1.00 10.37 C ATOM 61 O GLU A 22 -15.286 -10.186 6.385 1.00 10.91 O ATOM 62 CB GLU A 22 -17.841 -8.321 5.656 1.00 13.49 C ATOM 63 CG GLU A 22 -19.016 -9.367 5.405 1.00 25.96 C ATOM 64 CD GLU A 22 -18.775 -10.593 4.405 1.00 19.10 C ATOM 65 OE1 GLU A 22 -17.867 -10.230 3.365 1.00 14.40 O ATOM 66 OE2 GLU A 22 -19.458 -11.799 4.691 1.00 16.01 O ATOM 67 H GLU A 22 -15.813 -7.171 6.490 1.00 11.98 H ATOM 68 HA GLU A 22 -17.684 -8.616 7.680 1.00 13.19 H ATOM 69 HB2 GLU A 22 -18.234 -7.438 5.730 1.00 16.19 H ATOM 70 HB3 GLU A 22 -17.239 -8.355 4.896 1.00 16.19 H ATOM 71 HG2 GLU A 22 -19.245 -9.758 6.262 1.00 31.16 H ATOM 72 HG3 GLU A 22 -19.773 -8.874 5.052 1.00 31.16 H ATOM 73 N ARG A 23 -17.128 -11.027 7.330 1.00 9.96 N ATOM 74 CA ARG A 23 -16.603 -12.385 7.485 1.00 9.81 C ATOM 75 C ARG A 23 -15.907 -12.894 6.234 1.00 8.57 C ATOM 76 O ARG A 23 -14.751 -13.297 6.262 1.00 9.05 O ATOM 77 CB ARG A 23 -17.798 -13.305 7.820 1.00 10.50 C ATOM 78 CG ARG A 23 -17.466 -14.751 8.034 1.00 9.40 C ATOM 79 CD ARG A 23 -18.662 -15.538 8.398 1.00 10.25 C ATOM 80 NE ARG A 23 -19.712 -15.643 7.411 1.00 12.06 N ATOM 81 CZ ARG A 23 -19.812 -16.555 6.444 1.00 10.26 C ATOM 82 NH1 ARG A 23 -18.913 -17.515 6.317 1.00 11.28 N ATOM 83 NH2 ARG A 23 -20.840 -16.572 5.629 1.00 13.53 N ATOM 84 H ARG A 23 -17.956 -10.957 7.551 1.00 11.96 H ATOM 85 HA ARG A 23 -15.945 -12.388 8.198 1.00 11.77 H ATOM 86 HB2 ARG A 23 -18.213 -12.981 8.635 1.00 12.60 H ATOM 87 HB3 ARG A 23 -18.431 -13.260 7.086 1.00 12.60 H ATOM 88 HG2 ARG A 23 -17.098 -15.119 7.216 1.00 11.28 H ATOM 89 HG3 ARG A 23 -16.821 -14.828 8.753 1.00 11.28 H ATOM 90 HD2 ARG A 23 -18.375 -16.443 8.598 1.00 12.30 H ATOM 91 HD3 ARG A 23 -19.058 -15.134 9.186 1.00 12.30 H ATOM 92 HE ARG A 23 -20.338 -15.054 7.451 1.00 14.48 H ATOM 93 HH11 ARG A 23 -18.250 -17.558 6.863 1.00 13.54 H ATOM 94 HH12 ARG A 23 -18.991 -18.097 5.688 1.00 13.54 H ATOM 95 HH21 ARG A 23 -21.465 -15.988 5.713 1.00 16.24 H ATOM 96 HH22 ARG A 23 -20.889 -17.168 5.011 1.00 16.24 H ATOM 97 N CYS A 24 -16.632 -12.964 5.114 1.00 8.99 N ATOM 98 CA CYS A 24 -16.030 -13.598 3.934 1.00 9.28 C ATOM 99 C CYS A 24 -14.930 -12.762 3.304 1.00 10.27 C ATOM 100 O CYS A 24 -13.974 -13.352 2.784 1.00 9.24 O ATOM 101 CB CYS A 24 -17.091 -13.949 2.902 1.00 9.17 C ATOM 102 SG CYS A 24 -18.115 -15.407 3.382 1.00 10.48 S ATOM 103 H CYS A 24 -17.433 -12.667 5.014 1.00 10.79 H ATOM 104 HA CYS A 24 -15.624 -14.426 4.232 1.00 11.13 H ATOM 105 HB2 CYS A 24 -17.684 -13.191 2.791 1.00 11.00 H ATOM 106 HB3 CYS A 24 -16.654 -14.155 2.061 1.00 11.00 H ATOM 107 N GLU A 25 -15.020 -11.440 3.346 1.00 10.69 N ATOM 108 CA GLU A 25 -13.912 -10.593 2.907 1.00 10.93 C ATOM 109 C GLU A 25 -12.684 -10.918 3.734 1.00 9.14 C ATOM 110 O GLU A 25 -11.599 -11.042 3.171 1.00 9.21 O ATOM 111 CB GLU A 25 -14.243 -9.128 2.984 1.00 15.64 C ATOM 112 CG GLU A 25 -13.163 -8.203 2.278 1.00 16.72 C ATOM 113 CD GLU A 25 -12.620 -8.703 0.897 1.00 26.70 C ATOM 114 OE1 GLU A 25 -13.426 -9.144 0.024 1.00 24.72 O ATOM 115 OE2 GLU A 25 -11.367 -8.552 0.611 1.00 26.66 O ATOM 116 H GLU A 25 -15.708 -11.005 3.623 1.00 12.83 H ATOM 117 HA GLU A 25 -13.738 -10.765 1.968 1.00 13.12 H ATOM 118 HB2 GLU A 25 -15.096 -8.975 2.550 1.00 18.77 H ATOM 119 HB3 GLU A 25 -14.294 -8.867 3.917 1.00 18.77 H ATOM 120 HG2 GLU A 25 -13.562 -7.332 2.129 1.00 20.07 H ATOM 121 HG3 GLU A 25 -12.400 -8.122 2.872 1.00 20.07 H ATOM 122 N LEU A 26 -12.808 -11.084 5.049 1.00 8.63 N ATOM 123 CA LEU A 26 -11.620 -11.418 5.833 1.00 8.42 C ATOM 124 C LEU A 26 -11.074 -12.779 5.437 1.00 8.46 C ATOM 125 O LEU A 26 -9.865 -12.963 5.330 1.00 8.37 O ATOM 126 CB LEU A 26 -11.965 -11.442 7.320 1.00 8.24 C ATOM 127 CG LEU A 26 -10.761 -11.810 8.215 1.00 8.89 C ATOM 128 CD1 LEU A 26 -9.616 -10.859 8.104 1.00 8.85 C ATOM 129 CD2 LEU A 26 -11.312 -11.878 9.662 1.00 9.25 C ATOM 130 H LEU A 26 -13.539 -11.013 5.495 1.00 10.36 H ATOM 131 HA LEU A 26 -10.946 -10.739 5.673 1.00 10.11 H ATOM 132 HB2 LEU A 26 -12.276 -10.562 7.584 1.00 9.89 H ATOM 133 HB3 LEU A 26 -12.661 -12.100 7.470 1.00 9.89 H ATOM 134 HG LEU A 26 -10.379 -12.657 7.937 1.00 10.67 H ATOM 135 HD11 LEU A 26 -8.918 -11.131 8.719 1.00 10.62 H ATOM 136 HD12 LEU A 26 -9.280 -10.874 7.194 1.00 10.62 H ATOM 137 HD13 LEU A 26 -9.924 -9.966 8.327 1.00 10.62 H ATOM 138 HD21 LEU A 26 -10.590 -12.118 10.264 1.00 11.10 H ATOM 139 HD22 LEU A 26 -11.671 -11.011 9.905 1.00 11.10 H ATOM 140 HD23 LEU A 26 -12.012 -12.549 9.702 1.00 11.10 H ATOM 141 N ALA A 27 -11.956 -13.772 5.236 1.00 8.04 N ATOM 142 CA ALA A 27 -11.480 -15.097 4.862 1.00 8.57 C ATOM 143 C ALA A 27 -10.617 -15.058 3.596 1.00 8.88 C ATOM 144 O ALA A 27 -9.526 -15.634 3.548 1.00 9.38 O ATOM 145 CB ALA A 27 -12.675 -16.033 4.699 1.00 10.11 C ATOM 146 H ALA A 27 -12.809 -13.699 5.310 1.00 9.65 H ATOM 147 HA ALA A 27 -10.916 -15.443 5.571 1.00 10.29 H ATOM 148 HB1 ALA A 27 -12.356 -16.908 4.430 1.00 12.13 H ATOM 149 HB2 ALA A 27 -13.144 -16.097 5.545 1.00 12.13 H ATOM 150 HB3 ALA A 27 -13.267 -15.674 4.019 1.00 12.13 H ATOM 151 N ARG A 28 -11.077 -14.335 2.582 1.00 9.04 N ATOM 152 CA ARG A 28 -10.301 -14.237 1.340 1.00 9.00 C ATOM 153 C ARG A 28 -9.054 -13.413 1.527 1.00 9.44 C ATOM 154 O ARG A 28 -8.026 -13.724 0.940 1.00 10.00 O ATOM 155 CB ARG A 28 -11.140 -13.617 0.226 1.00 11.56 C ATOM 156 CG ARG A 28 -12.302 -14.536 -0.251 1.00 11.63 C ATOM 157 CD ARG A 28 -13.049 -13.934 -1.456 1.00 12.19 C ATOM 158 NE ARG A 28 -13.743 -12.762 -1.105 1.00 12.29 N ATOM 159 CZ ARG A 28 -15.003 -12.667 -0.631 1.00 12.76 C ATOM 160 NH1 ARG A 28 -15.686 -13.765 -0.452 1.00 10.91 N ATOM 161 NH2 ARG A 28 -15.515 -11.479 -0.320 1.00 11.93 N ATOM 162 H ARG A 28 -11.818 -13.898 2.582 1.00 10.85 H ATOM 163 HA ARG A 28 -10.053 -15.136 1.074 1.00 10.80 H ATOM 164 HB2 ARG A 28 -11.529 -12.789 0.550 1.00 13.88 H ATOM 165 HB3 ARG A 28 -10.568 -13.439 -0.536 1.00 13.88 H ATOM 166 HG2 ARG A 28 -11.941 -15.396 -0.517 1.00 13.96 H ATOM 167 HG3 ARG A 28 -12.936 -14.652 0.473 1.00 13.96 H ATOM 168 HD2 ARG A 28 -12.410 -13.712 -2.151 1.00 14.63 H ATOM 169 HD3 ARG A 28 -13.692 -14.579 -1.790 1.00 14.63 H ATOM 170 HE ARG A 28 -13.315 -12.022 -1.202 1.00 14.75 H ATOM 171 HH11 ARG A 28 -15.331 -14.527 -0.634 1.00 13.10 H ATOM 172 HH12 ARG A 28 -16.491 -13.726 -0.151 1.00 13.10 H ATOM 173 HH21 ARG A 28 -15.042 -10.768 -0.421 1.00 14.32 H ATOM 174 HH22 ARG A 28 -16.318 -11.423 -0.019 1.00 14.32 H ATOM 175 N THR A 29 -9.093 -12.405 2.391 1.00 9.28 N ATOM 176 CA THR A 29 -7.916 -11.597 2.704 1.00 8.95 C ATOM 177 C THR A 29 -6.854 -12.452 3.344 1.00 7.71 C ATOM 178 O THR A 29 -5.658 -12.383 2.999 1.00 9.73 O ATOM 179 CB THR A 29 -8.274 -10.418 3.605 1.00 9.02 C ATOM 180 OG1 THR A 29 -9.252 -9.586 2.963 1.00 11.11 O ATOM 181 CG2 THR A 29 -7.045 -9.596 4.019 1.00 9.94 C ATOM 182 H THR A 29 -9.798 -12.162 2.818 1.00 11.14 H ATOM 183 HA THR A 29 -7.570 -11.224 1.878 1.00 10.75 H ATOM 184 HB THR A 29 -8.652 -10.768 4.427 1.00 10.83 H ATOM 185 HG1 THR A 29 -9.948 -10.030 2.806 1.00 13.34 H ATOM 186 HG21 THR A 29 -7.325 -8.782 4.465 1.00 11.93 H ATOM 187 HG22 THR A 29 -6.490 -10.112 4.625 1.00 11.93 H ATOM 188 HG23 THR A 29 -6.523 -9.363 3.235 1.00 11.93 H ATOM 189 N LEU A 30 -7.263 -13.264 4.315 1.00 8.00 N ATOM 190 CA LEU A 30 -6.312 -14.152 4.969 1.00 9.63 C ATOM 191 C LEU A 30 -5.756 -15.206 3.998 1.00 9.37 C ATOM 192 O LEU A 30 -4.582 -15.565 4.078 1.00 9.24 O ATOM 193 CB LEU A 30 -6.965 -14.881 6.131 1.00 9.38 C ATOM 194 CG LEU A 30 -7.341 -14.002 7.334 1.00 9.49 C ATOM 195 CD1 LEU A 30 -8.212 -14.734 8.265 1.00 10.01 C ATOM 196 CD2 LEU A 30 -6.119 -13.482 8.043 1.00 10.35 C ATOM 197 H LEU A 30 -8.070 -13.318 4.607 1.00 9.60 H ATOM 198 HA LEU A 30 -5.587 -13.598 5.301 1.00 11.56 H ATOM 199 HB2 LEU A 30 -7.781 -15.296 5.810 1.00 11.26 H ATOM 200 HB3 LEU A 30 -6.350 -15.560 6.450 1.00 11.26 H ATOM 201 HG LEU A 30 -7.831 -13.233 7.004 1.00 11.39 H ATOM 202 HD11 LEU A 30 -8.448 -14.149 9.002 1.00 12.02 H ATOM 203 HD12 LEU A 30 -9.014 -15.012 7.794 1.00 12.02 H ATOM 204 HD13 LEU A 30 -7.737 -15.511 8.597 1.00 12.02 H ATOM 205 HD21 LEU A 30 -6.395 -13.024 8.853 1.00 12.42 H ATOM 206 HD22 LEU A 30 -5.541 -14.229 8.266 1.00 12.42 H ATOM 207 HD23 LEU A 30 -5.652 -12.866 7.458 1.00 12.42 H ATOM 208 N LYS A 31 -6.581 -15.751 3.110 1.00 9.81 N ATOM 209 CA LYS A 31 -6.091 -16.747 2.194 1.00 9.17 C ATOM 210 C LYS A 31 -5.057 -16.146 1.237 1.00 10.37 C ATOM 211 O LYS A 31 -4.024 -16.769 1.006 1.00 9.74 O ATOM 212 CB LYS A 31 -7.264 -17.307 1.401 1.00 10.57 C ATOM 213 CG LYS A 31 -6.839 -18.482 0.470 1.00 15.00 C ATOM 214 CD LYS A 31 -7.944 -19.427 0.079 1.00 17.75 C ATOM 215 CE LYS A 31 -7.337 -20.694 -0.610 1.00 20.53 C ATOM 216 NZ LYS A 31 -8.367 -21.239 -1.517 1.00 24.59 N ATOM 217 H LYS A 31 -7.415 -15.559 3.025 1.00 11.78 H ATOM 218 HA LYS A 31 -5.669 -17.465 2.691 1.00 11.01 H ATOM 219 HB2 LYS A 31 -7.936 -17.638 2.018 1.00 12.69 H ATOM 220 HB3 LYS A 31 -7.639 -16.604 0.849 1.00 12.69 H ATOM 221 HG2 LYS A 31 -6.476 -18.108 -0.348 1.00 18.00 H ATOM 222 HG3 LYS A 31 -6.160 -19.004 0.926 1.00 18.00 H ATOM 223 HD2 LYS A 31 -8.432 -19.705 0.869 1.00 21.31 H ATOM 224 HD3 LYS A 31 -8.544 -18.990 -0.545 1.00 21.31 H ATOM 225 HE2 LYS A 31 -6.551 -20.454 -1.124 1.00 24.64 H ATOM 226 HE3 LYS A 31 -7.108 -21.362 0.055 1.00 24.64 H ATOM 227 HZ1 LYS A 31 -8.051 -21.953 -1.943 1.00 29.51 H ATOM 228 HZ2 LYS A 31 -9.088 -21.476 -1.052 1.00 29.51 H ATOM 229 HZ3 LYS A 31 -8.600 -20.625 -2.117 1.00 29.51 H ATOM 230 N ARG A 32 -5.283 -14.946 0.741 1.00 9.68 N ATOM 231 CA ARG A 32 -4.302 -14.338 -0.139 1.00 8.69 C ATOM 232 C ARG A 32 -2.996 -14.079 0.586 1.00 10.00 C ATOM 233 O ARG A 32 -1.926 -14.009 -0.031 1.00 11.20 O ATOM 234 CB ARG A 32 -4.842 -13.005 -0.672 1.00 11.01 C ATOM 235 CG ARG A 32 -5.892 -13.043 -1.742 1.00 10.66 C ATOM 236 CD ARG A 32 -6.203 -11.723 -2.227 1.00 16.16 C ATOM 237 NE ARG A 32 -6.797 -10.784 -1.252 0.52 13.44 N ATOM 238 CZ ARG A 32 -8.092 -10.546 -1.128 0.66 13.55 C ATOM 239 NH1 ARG A 32 -8.545 -9.688 -0.231 0.62 16.10 N ATOM 240 NH2 ARG A 32 -8.955 -11.213 -1.851 1.00 16.78 N ATOM 241 H ARG A 32 -5.982 -14.469 0.895 1.00 11.61 H ATOM 242 HA ARG A 32 -4.138 -14.932 -0.888 1.00 10.43 H ATOM 243 HB2 ARG A 32 -5.226 -12.522 0.076 1.00 13.21 H ATOM 244 HB3 ARG A 32 -4.092 -12.509 -1.037 1.00 13.21 H ATOM 245 HG2 ARG A 32 -5.571 -13.574 -2.488 1.00 12.80 H ATOM 246 HG3 ARG A 32 -6.703 -13.434 -1.381 1.00 12.80 H ATOM 247 HD2 ARG A 32 -5.382 -11.318 -2.547 1.00 19.39 H ATOM 248 HD3 ARG A 32 -6.835 -11.811 -2.957 1.00 19.39 H ATOM 249 HE ARG A 32 -6.262 -10.362 -0.728 1.00 16.13 H ATOM 250 HH11 ARG A 32 -7.995 -9.273 0.284 0.00 19.32 H ATOM 251 HH12 ARG A 32 -9.390 -9.544 -0.162 0.00 19.32 H ATOM 252 HH21 ARG A 32 -8.681 -11.807 -2.409 1.00 20.14 H ATOM 253 HH22 ARG A 32 -9.797 -11.057 -1.769 1.00 20.14 H ATOM 254 N LEU A 33 -3.032 -13.902 1.924 1.00 10.67 N ATOM 255 CA LEU A 33 -1.846 -13.662 2.753 1.00 8.80 C ATOM 256 C LEU A 33 -1.164 -14.964 3.186 1.00 9.68 C ATOM 257 O LEU A 33 -0.212 -14.910 3.957 1.00 11.55 O ATOM 258 CB LEU A 33 -2.221 -12.749 3.943 1.00 9.95 C ATOM 259 CG LEU A 33 -2.488 -11.308 3.569 1.00 9.32 C ATOM 260 CD1 LEU A 33 -3.187 -10.596 4.724 1.00 9.98 C ATOM 261 CD2 LEU A 33 -1.087 -10.618 3.223 1.00 11.94 C ATOM 262 H LEU A 33 -3.759 -13.919 2.383 1.00 12.80 H ATOM 263 HA LEU A 33 -1.177 -13.173 2.248 1.00 10.56 H ATOM 264 HB2 LEU A 33 -3.025 -13.099 4.358 1.00 11.94 H ATOM 265 HB3 LEU A 33 -1.489 -12.757 4.579 1.00 11.94 H ATOM 266 HG LEU A 33 -3.071 -11.244 2.796 1.00 11.18 H ATOM 267 HD11 LEU A 33 -3.352 -9.673 4.474 1.00 11.98 H ATOM 268 HD12 LEU A 33 -4.028 -11.044 4.909 1.00 11.98 H ATOM 269 HD13 LEU A 33 -2.616 -10.629 5.507 1.00 11.98 H ATOM 270 HD21 LEU A 33 -1.230 -9.671 3.070 1.00 14.33 H ATOM 271 HD22 LEU A 33 -0.480 -10.744 3.969 1.00 14.33 H ATOM 272 HD23 LEU A 33 -0.721 -11.030 2.425 1.00 14.33 H ATOM 273 N GLY A 34 -1.579 -16.117 2.697 1.00 10.75 N ATOM 274 CA GLY A 34 -0.875 -17.346 3.010 1.00 12.23 C ATOM 275 C GLY A 34 -1.246 -18.041 4.297 1.00 10.02 C ATOM 276 O GLY A 34 -0.446 -18.820 4.782 1.00 10.96 O ATOM 277 H GLY A 34 -2.261 -16.215 2.183 1.00 12.90 H ATOM 278 HA2 GLY A 34 -1.032 -17.976 2.289 1.00 14.68 H ATOM 279 HA3 GLY A 34 0.073 -17.147 3.055 1.00 14.68 H ATOM 280 N MET A 35 -2.396 -17.720 4.901 1.00 8.76 N ATOM 281 CA MET A 35 -2.759 -18.285 6.199 1.00 9.20 C ATOM 282 C MET A 35 -3.403 -19.653 6.092 1.00 9.55 C ATOM 283 O MET A 35 -3.460 -20.345 7.118 1.00 9.81 O ATOM 284 CB MET A 35 -3.708 -17.323 6.868 1.00 8.96 C ATOM 285 CG MET A 35 -2.891 -16.122 7.368 1.00 10.01 C ATOM 286 SD MET A 35 -1.778 -16.452 8.728 1.00 11.11 S ATOM 287 CE MET A 35 -2.790 -15.845 10.054 1.00 11.68 C ATOM 288 H MET A 35 -2.981 -17.178 4.578 1.00 10.51 H ATOM 289 HA MET A 35 -1.965 -18.386 6.747 1.00 11.04 H ATOM 290 HB2 MET A 35 -4.374 -17.015 6.233 1.00 10.75 H ATOM 291 HB3 MET A 35 -4.142 -17.751 7.622 1.00 10.75 H ATOM 292 HG2 MET A 35 -2.353 -15.791 6.631 1.00 12.02 H ATOM 293 HG3 MET A 35 -3.508 -15.435 7.663 1.00 12.02 H ATOM 294 HE1 MET A 35 -2.342 -16.016 10.897 1.00 14.01 H ATOM 295 HE2 MET A 35 -2.925 -14.891 9.937 1.00 14.01 H ATOM 296 HE3 MET A 35 -3.645 -16.304 10.034 1.00 14.01 H ATOM 297 N ASP A 36 -3.935 -20.064 4.911 1.00 10.62 N ATOM 298 CA ASP A 36 -4.642 -21.336 4.885 1.00 11.73 C ATOM 299 C ASP A 36 -3.665 -22.487 5.035 1.00 10.90 C ATOM 300 O ASP A 36 -2.888 -22.798 4.123 1.00 11.00 O ATOM 301 CB ASP A 36 -5.399 -21.499 3.586 1.00 15.98 C ATOM 302 CG ASP A 36 -6.567 -22.493 3.752 1.00 22.16 C ATOM 303 OD1 ASP A 36 -6.754 -23.185 4.831 1.00 20.36 O ATOM 304 OD2 ASP A 36 -7.357 -22.571 2.769 1.00 26.95 O ATOM 305 H ASP A 36 -3.893 -19.637 4.166 1.00 12.75 H ATOM 306 HA ASP A 36 -5.264 -21.342 5.629 1.00 14.08 H ATOM 307 HB2 ASP A 36 -5.761 -20.641 3.313 1.00 19.18 H ATOM 308 HB3 ASP A 36 -4.800 -21.838 2.902 1.00 19.18 H ATOM 309 N GLY A 37 -3.742 -23.146 6.150 1.00 9.62 N ATOM 310 CA GLY A 37 -2.850 -24.272 6.429 1.00 9.26 C ATOM 311 C GLY A 37 -1.479 -23.902 6.919 1.00 9.18 C ATOM 312 O GLY A 37 -0.628 -24.787 7.024 1.00 10.74 O ATOM 313 H GLY A 37 -4.301 -22.973 6.781 1.00 11.54 H ATOM 314 HA2 GLY A 37 -3.262 -24.832 7.105 1.00 11.11 H ATOM 315 HA3 GLY A 37 -2.742 -24.788 5.615 1.00 11.11 H ATOM 316 N TYR A 38 -1.228 -22.626 7.229 1.00 8.87 N ATOM 317 CA TYR A 38 0.083 -22.244 7.743 1.00 9.41 C ATOM 318 C TYR A 38 0.358 -23.018 9.036 1.00 9.20 C ATOM 319 O TYR A 38 -0.407 -22.944 9.996 1.00 9.87 O ATOM 320 CB TYR A 38 0.127 -20.723 7.952 1.00 9.19 C ATOM 321 CG TYR A 38 1.517 -20.313 8.369 1.00 9.60 C ATOM 322 CD1 TYR A 38 2.530 -20.140 7.409 1.00 11.77 C ATOM 323 CD2 TYR A 38 1.856 -20.147 9.702 1.00 8.38 C ATOM 324 CE1 TYR A 38 3.845 -19.850 7.779 1.00 11.72 C ATOM 325 CE2 TYR A 38 3.157 -19.812 10.071 1.00 11.79 C ATOM 326 CZ TYR A 38 4.130 -19.688 9.131 1.00 12.32 C ATOM 327 OH TYR A 38 5.447 -19.404 9.483 1.00 15.03 O ATOM 328 H TYR A 38 -1.789 -21.979 7.152 1.00 10.65 H ATOM 329 HA TYR A 38 0.788 -22.461 7.113 1.00 11.30 H ATOM 330 HB2 TYR A 38 -0.098 -20.271 7.124 1.00 11.03 H ATOM 331 HB3 TYR A 38 -0.497 -20.470 8.650 1.00 11.03 H ATOM 332 HD1 TYR A 38 2.320 -20.220 6.506 1.00 14.13 H ATOM 333 HD2 TYR A 38 1.207 -20.261 10.359 1.00 10.06 H ATOM 334 HE1 TYR A 38 4.513 -19.768 7.138 1.00 14.07 H ATOM 335 HE2 TYR A 38 3.360 -19.672 10.968 1.00 14.15 H ATOM 336 HH TYR A 38 5.551 -19.502 10.310 1.00 18.04 H ATOM 337 N ARG A 39 1.534 -23.721 9.069 1.00 11.21 N ATOM 338 CA ARG A 39 1.884 -24.572 10.211 1.00 11.32 C ATOM 339 C ARG A 39 0.695 -25.409 10.634 1.00 10.79 C ATOM 340 O ARG A 39 0.477 -25.626 11.830 1.00 10.51 O ATOM 341 CB ARG A 39 2.620 -23.810 11.333 1.00 12.37 C ATOM 342 CG ARG A 39 4.030 -23.485 10.732 1.00 16.73 C ATOM 343 CD ARG A 39 4.962 -23.026 11.650 1.00 18.13 C ATOM 344 NE ARG A 39 5.167 -23.882 12.797 1.00 17.88 N ATOM 345 CZ ARG A 39 5.933 -24.960 12.835 1.00 20.33 C ATOM 346 NH1 ARG A 39 6.515 -25.407 11.756 1.00 17.77 N ATOM 347 NH2 ARG A 39 6.113 -25.593 14.013 1.00 19.34 N ATOM 348 H ARG A 39 2.124 -23.711 8.444 1.00 13.45 H ATOM 349 HA ARG A 39 2.560 -25.216 9.947 1.00 13.59 H ATOM 350 HB2 ARG A 39 2.155 -22.988 11.557 1.00 14.84 H ATOM 351 HB3 ARG A 39 2.714 -24.364 12.124 1.00 14.84 H ATOM 352 HG2 ARG A 39 4.389 -24.294 10.333 1.00 20.08 H ATOM 353 HG3 ARG A 39 3.926 -22.799 10.054 1.00 20.08 H ATOM 354 HD2 ARG A 39 5.816 -22.933 11.200 1.00 21.75 H ATOM 355 HD3 ARG A 39 4.666 -22.163 11.981 1.00 21.75 H ATOM 356 HE ARG A 39 4.754 -23.671 13.521 1.00 21.45 H ATOM 357 HH11 ARG A 39 6.404 -25.000 11.007 1.00 21.33 H ATOM 358 HH12 ARG A 39 7.010 -26.109 11.795 1.00 21.33 H ATOM 359 HH21 ARG A 39 5.733 -25.295 14.724 1.00 23.21 H ATOM 360 HH22 ARG A 39 6.609 -26.295 14.052 1.00 23.21 H ATOM 361 N GLY A 40 -0.028 -25.941 9.685 1.00 9.83 N ATOM 362 CA GLY A 40 -1.120 -26.847 9.980 1.00 9.85 C ATOM 363 C GLY A 40 -2.449 -26.275 10.361 1.00 8.86 C ATOM 364 O GLY A 40 -3.356 -27.059 10.649 1.00 9.38 O ATOM 365 H GLY A 40 0.090 -25.795 8.845 1.00 11.79 H ATOM 366 HA2 GLY A 40 -1.268 -27.396 9.194 1.00 11.82 H ATOM 367 HA3 GLY A 40 -0.840 -27.416 10.714 1.00 11.82 H ATOM 368 N ILE A 41 -2.604 -24.953 10.326 1.00 8.10 N ATOM 369 CA ILE A 41 -3.771 -24.233 10.858 1.00 8.47 C ATOM 370 C ILE A 41 -4.690 -23.869 9.719 1.00 6.88 C ATOM 371 O ILE A 41 -4.360 -23.041 8.885 1.00 8.80 O ATOM 372 CB ILE A 41 -3.347 -23.002 11.667 1.00 8.75 C ATOM 373 CG1 ILE A 41 -2.408 -23.389 12.794 1.00 9.42 C ATOM 374 CG2 ILE A 41 -4.566 -22.297 12.158 1.00 11.21 C ATOM 375 CD1 ILE A 41 -1.629 -22.206 13.368 1.00 9.97 C ATOM 376 H ILE A 41 -2.021 -24.422 9.983 1.00 9.73 H ATOM 377 HA ILE A 41 -4.266 -24.832 11.440 1.00 10.17 H ATOM 378 HB ILE A 41 -2.850 -22.394 11.097 1.00 10.51 H ATOM 379 HG12 ILE A 41 -2.927 -23.781 13.513 1.00 11.31 H ATOM 380 HG13 ILE A 41 -1.765 -24.033 12.459 1.00 11.31 H ATOM 381 HG21 ILE A 41 -4.302 -21.613 12.792 1.00 13.45 H ATOM 382 HG22 ILE A 41 -5.022 -21.892 11.404 1.00 13.45 H ATOM 383 HG23 ILE A 41 -5.150 -22.940 12.590 1.00 13.45 H ATOM 384 HD11 ILE A 41 -1.034 -22.527 14.063 1.00 11.96 H ATOM 385 HD12 ILE A 41 -1.114 -21.792 12.658 1.00 11.96 H ATOM 386 HD13 ILE A 41 -2.256 -21.565 13.739 1.00 11.96 H ATOM 387 N SER A 42 -5.871 -24.433 9.688 1.00 8.05 N ATOM 388 CA SER A 42 -6.836 -24.126 8.660 1.00 8.11 C ATOM 389 C SER A 42 -7.304 -22.665 8.724 1.00 9.35 C ATOM 390 O SER A 42 -7.325 -22.017 9.786 1.00 8.68 O ATOM 391 CB SER A 42 -8.043 -25.042 8.760 1.00 9.85 C ATOM 392 OG SER A 42 -8.744 -24.712 9.949 1.00 10.65 O ATOM 393 H SER A 42 -6.147 -25.010 10.262 1.00 9.67 H ATOM 394 HA SER A 42 -6.406 -24.264 7.801 1.00 9.73 H ATOM 395 HB2 SER A 42 -8.620 -24.908 7.992 1.00 11.82 H ATOM 396 HB3 SER A 42 -7.751 -25.966 8.798 1.00 11.82 H ATOM 397 HG SER A 42 -9.420 -25.204 10.030 1.00 12.78 H ATOM 398 N LEU A 43 -7.797 -22.168 7.603 1.00 8.30 N ATOM 399 CA LEU A 43 -8.387 -20.860 7.555 1.00 9.69 C ATOM 400 C LEU A 43 -9.525 -20.720 8.531 1.00 9.06 C ATOM 401 O LEU A 43 -9.665 -19.644 9.140 1.00 9.58 O ATOM 402 CB LEU A 43 -8.849 -20.609 6.118 1.00 12.67 C ATOM 403 CG LEU A 43 -9.108 -19.175 5.779 1.00 16.19 C ATOM 404 CD1 LEU A 43 -7.659 -18.479 5.814 1.00 21.21 C ATOM 405 CD2 LEU A 43 -9.657 -19.166 4.365 1.00 18.92 C ATOM 406 H LEU A 43 -7.800 -22.579 6.848 1.00 9.96 H ATOM 407 HA LEU A 43 -7.733 -20.188 7.803 1.00 11.63 H ATOM 408 HB2 LEU A 43 -8.162 -20.932 5.514 1.00 15.21 H ATOM 409 HB3 LEU A 43 -9.675 -21.097 5.972 1.00 15.21 H ATOM 410 HG LEU A 43 -9.727 -18.717 6.369 1.00 19.44 H ATOM 411 HD11 LEU A 43 -7.705 -17.631 5.345 1.00 25.46 H ATOM 412 HD12 LEU A 43 -7.402 -18.332 6.738 1.00 25.46 H ATOM 413 HD13 LEU A 43 -7.017 -19.062 5.381 1.00 25.46 H ATOM 414 HD21 LEU A 43 -9.986 -18.276 4.160 1.00 22.71 H ATOM 415 HD22 LEU A 43 -8.948 -19.407 3.749 1.00 22.71 H ATOM 416 HD23 LEU A 43 -10.382 -19.808 4.303 1.00 22.71 H ATOM 417 N ALA A 44 -10.368 -21.761 8.690 1.00 8.55 N ATOM 418 CA ALA A 44 -11.493 -21.630 9.609 1.00 9.39 C ATOM 419 C ALA A 44 -11.022 -21.410 11.050 1.00 8.80 C ATOM 420 O ALA A 44 -11.673 -20.691 11.821 1.00 9.44 O ATOM 421 CB ALA A 44 -12.428 -22.836 9.532 1.00 9.98 C ATOM 422 H ALA A 44 -10.306 -22.519 8.290 1.00 10.26 H ATOM 423 HA ALA A 44 -12.009 -20.857 9.333 1.00 11.27 H ATOM 424 HB1 ALA A 44 -13.185 -22.686 10.119 1.00 11.98 H ATOM 425 HB2 ALA A 44 -12.734 -22.940 8.617 1.00 11.98 H ATOM 426 HB3 ALA A 44 -11.944 -23.629 9.811 1.00 11.98 H ATOM 427 N ASN A 45 -9.894 -21.998 11.433 1.00 8.35 N ATOM 428 CA ASN A 45 -9.354 -21.752 12.759 1.00 8.29 C ATOM 429 C ASN A 45 -8.869 -20.305 12.907 1.00 7.29 C ATOM 430 O ASN A 45 -9.081 -19.667 13.955 1.00 8.36 O ATOM 431 CB ASN A 45 -8.225 -22.706 13.051 1.00 9.15 C ATOM 432 CG ASN A 45 -8.703 -23.989 13.589 1.00 7.80 C ATOM 433 OD1 ASN A 45 -9.264 -24.056 14.698 1.00 9.83 O ATOM 434 ND2 ASN A 45 -8.528 -25.026 12.833 1.00 10.16 N ATOM 435 H ASN A 45 -9.429 -22.537 10.950 1.00 10.02 H ATOM 436 HA ASN A 45 -10.058 -21.906 13.407 1.00 9.94 H ATOM 437 HB2 ASN A 45 -7.740 -22.885 12.231 1.00 10.98 H ATOM 438 HB3 ASN A 45 -7.632 -22.306 13.707 1.00 10.98 H ATOM 439 HD21 ASN A 45 -8.789 -25.802 13.099 1.00 12.19 H ATOM 440 HD22 ASN A 45 -8.150 -24.940 12.065 1.00 12.19 H ATOM 441 N TRP A 46 -8.218 -19.738 11.879 1.00 8.38 N ATOM 442 CA TRP A 46 -7.808 -18.340 11.984 1.00 7.43 C ATOM 443 C TRP A 46 -9.017 -17.417 12.042 1.00 8.72 C ATOM 444 O TRP A 46 -8.988 -16.395 12.720 1.00 8.67 O ATOM 445 CB TRP A 46 -6.973 -17.985 10.747 1.00 9.00 C ATOM 446 CG TRP A 46 -5.616 -18.567 10.682 1.00 8.66 C ATOM 447 CD1 TRP A 46 -5.133 -19.458 9.733 1.00 7.66 C ATOM 448 CD2 TRP A 46 -4.524 -18.330 11.571 1.00 8.38 C ATOM 449 NE1 TRP A 46 -3.821 -19.726 9.974 1.00 9.10 N ATOM 450 CE2 TRP A 46 -3.418 -19.048 11.094 1.00 8.80 C ATOM 451 CE3 TRP A 46 -4.362 -17.554 12.720 1.00 9.84 C ATOM 452 CZ2 TRP A 46 -2.146 -18.969 11.689 1.00 9.81 C ATOM 453 CZ3 TRP A 46 -3.105 -17.563 13.331 1.00 9.21 C ATOM 454 CH2 TRP A 46 -2.028 -18.270 12.817 1.00 9.49 C ATOM 455 H TRP A 46 -8.012 -20.129 11.142 1.00 10.06 H ATOM 456 HA TRP A 46 -7.283 -18.219 12.790 1.00 8.92 H ATOM 457 HB2 TRP A 46 -7.452 -18.291 9.961 1.00 10.81 H ATOM 458 HB3 TRP A 46 -6.871 -17.020 10.718 1.00 10.81 H ATOM 459 HD1 TRP A 46 -5.632 -19.818 9.036 1.00 9.19 H ATOM 460 HE1 TRP A 46 -3.323 -20.241 9.498 1.00 10.92 H ATOM 461 HE3 TRP A 46 -5.064 -17.051 13.066 1.00 11.81 H ATOM 462 HZ2 TRP A 46 -1.411 -19.392 11.307 1.00 11.78 H ATOM 463 HZ3 TRP A 46 -2.986 -17.075 14.114 1.00 11.05 H ATOM 464 HH2 TRP A 46 -1.213 -18.256 13.264 1.00 11.39 H ATOM 465 N MET A 47 -10.070 -17.733 11.310 1.00 8.42 N ATOM 466 CA MET A 47 -11.310 -16.948 11.344 1.00 8.29 C ATOM 467 C MET A 47 -11.946 -17.008 12.704 1.00 7.63 C ATOM 468 O MET A 47 -12.350 -15.973 13.236 1.00 9.01 O ATOM 469 CB MET A 47 -12.274 -17.521 10.311 1.00 7.25 C ATOM 470 CG MET A 47 -11.902 -17.179 8.875 1.00 10.01 C ATOM 471 SD MET A 47 -12.007 -15.431 8.453 1.00 9.49 S ATOM 472 CE MET A 47 -13.770 -15.195 8.634 1.00 11.00 C ATOM 473 H MET A 47 -10.104 -18.405 10.775 1.00 10.11 H ATOM 474 HA MET A 47 -11.108 -16.024 11.126 1.00 9.95 H ATOM 475 HB2 MET A 47 -12.283 -18.487 10.394 1.00 8.70 H ATOM 476 HB3 MET A 47 -13.161 -17.166 10.481 1.00 8.70 H ATOM 477 HG2 MET A 47 -10.987 -17.460 8.720 1.00 12.02 H ATOM 478 HG3 MET A 47 -12.502 -17.657 8.281 1.00 12.02 H ATOM 479 HE1 MET A 47 -13.993 -14.282 8.391 1.00 13.20 H ATOM 480 HE2 MET A 47 -14.234 -15.815 8.049 1.00 13.20 H ATOM 481 HE3 MET A 47 -14.018 -15.361 9.556 1.00 13.20 H ATOM 482 N CYS A 48 -12.016 -18.208 13.298 1.00 8.20 N ATOM 483 CA CYS A 48 -12.582 -18.331 14.640 1.00 8.82 C ATOM 484 C CYS A 48 -11.768 -17.546 15.636 1.00 8.30 C ATOM 485 O CYS A 48 -12.348 -16.870 16.516 1.00 9.35 O ATOM 486 CB CYS A 48 -12.675 -19.810 14.972 1.00 9.34 C ATOM 487 SG CYS A 48 -13.405 -20.227 16.535 1.00 10.09 S ATOM 488 H CYS A 48 -11.749 -18.948 12.950 1.00 9.84 H ATOM 489 HA CYS A 48 -13.479 -17.964 14.685 1.00 10.58 H ATOM 490 HB2 CYS A 48 -13.208 -20.240 14.285 1.00 11.21 H ATOM 491 HB3 CYS A 48 -11.777 -20.176 14.972 1.00 11.21 H ATOM 492 N LEU A 49 -10.435 -17.579 15.507 1.00 8.24 N ATOM 493 CA LEU A 49 -9.572 -16.753 16.347 1.00 10.22 C ATOM 494 C LEU A 49 -9.923 -15.266 16.227 1.00 9.36 C ATOM 495 O LEU A 49 -10.101 -14.573 17.248 1.00 9.29 O ATOM 496 CB LEU A 49 -8.103 -17.014 16.032 1.00 9.36 C ATOM 497 CG LEU A 49 -7.096 -16.168 16.822 1.00 8.94 C ATOM 498 CD1 LEU A 49 -7.009 -16.619 18.243 1.00 9.82 C ATOM 499 CD2 LEU A 49 -5.735 -16.220 16.151 1.00 11.19 C ATOM 500 H LEU A 49 -10.010 -18.069 14.942 1.00 9.88 H ATOM 501 HA LEU A 49 -9.712 -17.007 17.272 1.00 12.27 H ATOM 502 HB2 LEU A 49 -7.911 -17.946 16.225 1.00 11.23 H ATOM 503 HB3 LEU A 49 -7.956 -16.833 15.091 1.00 11.23 H ATOM 504 HG LEU A 49 -7.397 -15.246 16.834 1.00 10.73 H ATOM 505 HD11 LEU A 49 -6.530 -15.951 18.758 1.00 11.79 H ATOM 506 HD12 LEU A 49 -7.906 -16.728 18.596 1.00 11.79 H ATOM 507 HD13 LEU A 49 -6.535 -17.465 18.278 1.00 11.79 H ATOM 508 HD21 LEU A 49 -5.141 -15.591 16.591 1.00 13.43 H ATOM 509 HD22 LEU A 49 -5.379 -17.119 16.226 1.00 13.43 H ATOM 510 HD23 LEU A 49 -5.835 -15.981 15.216 1.00 13.43 H ATOM 511 N ALA A 50 -9.978 -14.722 14.993 1.00 9.34 N ATOM 512 CA ALA A 50 -10.243 -13.295 14.809 1.00 8.56 C ATOM 513 C ALA A 50 -11.627 -12.955 15.312 1.00 8.67 C ATOM 514 O ALA A 50 -11.824 -11.857 15.864 1.00 10.03 O ATOM 515 CB ALA A 50 -10.100 -12.980 13.309 1.00 10.80 C ATOM 516 H ALA A 50 -9.865 -15.158 14.261 1.00 11.21 H ATOM 517 HA ALA A 50 -9.610 -12.752 15.303 1.00 10.27 H ATOM 518 HB1 ALA A 50 -10.247 -12.032 13.171 1.00 12.97 H ATOM 519 HB2 ALA A 50 -9.206 -13.222 13.020 1.00 12.97 H ATOM 520 HB3 ALA A 50 -10.758 -13.493 12.815 1.00 12.97 H ATOM 521 N LYS A 51 -12.604 -13.830 15.103 1.00 9.15 N ATOM 522 CA LYS A 51 -13.960 -13.552 15.499 1.00 8.90 C ATOM 523 C LYS A 51 -13.995 -13.337 16.995 1.00 10.16 C ATOM 524 O LYS A 51 -14.576 -12.352 17.490 1.00 9.93 O ATOM 525 CB LYS A 51 -14.882 -14.699 15.106 1.00 12.70 C ATOM 526 CG LYS A 51 -16.305 -14.600 15.571 1.00 21.19 C ATOM 527 CD LYS A 51 -17.046 -13.489 14.943 1.00 28.10 C ATOM 528 CE LYS A 51 -18.554 -13.557 15.246 0.40 22.64 C ATOM 529 NZ LYS A 51 -19.365 -12.777 14.237 0.93 23.06 N ATOM 530 H LYS A 51 -12.499 -14.597 14.730 1.00 10.98 H ATOM 531 HA LYS A 51 -14.280 -12.759 15.041 1.00 10.69 H ATOM 532 HB2 LYS A 51 -14.902 -14.752 14.137 1.00 15.24 H ATOM 533 HB3 LYS A 51 -14.518 -15.519 15.475 1.00 15.24 H ATOM 534 HG2 LYS A 51 -16.766 -15.426 15.353 1.00 25.42 H ATOM 535 HG3 LYS A 51 -16.314 -14.459 16.530 1.00 25.42 H ATOM 536 HD2 LYS A 51 -16.706 -12.646 15.283 1.00 33.72 H ATOM 537 HD3 LYS A 51 -16.928 -13.530 13.981 1.00 33.72 H ATOM 538 HE2 LYS A 51 -18.844 -14.482 15.220 1.00 27.17 H ATOM 539 HE3 LYS A 51 -18.721 -13.182 16.125 1.00 27.17 H ATOM 540 HZ1 LYS A 51 -20.222 -12.769 14.476 0.65 27.67 H ATOM 541 HZ2 LYS A 51 -19.070 -11.939 14.191 0.00 27.67 H ATOM 542 HZ3 LYS A 51 -19.293 -13.153 13.433 1.00 27.67 H ATOM 543 N TRP A 52 -13.416 -14.251 17.753 1.00 9.58 N ATOM 544 CA TRP A 52 -13.541 -14.217 19.206 1.00 9.20 C ATOM 545 C TRP A 52 -12.541 -13.269 19.835 1.00 9.99 C ATOM 546 O TRP A 52 -12.819 -12.752 20.922 1.00 12.95 O ATOM 547 CB TRP A 52 -13.466 -15.605 19.788 1.00 10.40 C ATOM 548 CG TRP A 52 -14.687 -16.376 19.428 1.00 9.68 C ATOM 549 CD1 TRP A 52 -14.772 -17.368 18.475 1.00 11.73 C ATOM 550 CD2 TRP A 52 -15.984 -16.209 19.963 1.00 11.66 C ATOM 551 NE1 TRP A 52 -16.074 -17.800 18.405 1.00 13.63 N ATOM 552 CE2 TRP A 52 -16.812 -17.165 19.363 1.00 14.70 C ATOM 553 CE3 TRP A 52 -16.526 -15.355 20.960 1.00 14.50 C ATOM 554 CZ2 TRP A 52 -18.192 -17.254 19.641 1.00 21.86 C ATOM 555 CZ3 TRP A 52 -17.907 -15.474 21.281 1.00 20.19 C ATOM 556 CH2 TRP A 52 -18.711 -16.425 20.633 1.00 21.74 C ATOM 557 H TRP A 52 -12.942 -14.904 17.455 1.00 11.50 H ATOM 558 HA TRP A 52 -14.423 -13.889 19.442 1.00 11.04 H ATOM 559 HB2 TRP A 52 -12.690 -16.066 19.432 1.00 12.49 H ATOM 560 HB3 TRP A 52 -13.405 -15.551 20.754 1.00 12.49 H ATOM 561 HD1 TRP A 52 -14.065 -17.691 17.965 1.00 14.08 H ATOM 562 HE1 TRP A 52 -16.376 -18.380 17.846 1.00 16.36 H ATOM 563 HE3 TRP A 52 -15.989 -14.733 21.395 1.00 17.40 H ATOM 564 HZ2 TRP A 52 -18.738 -17.848 19.178 1.00 26.24 H ATOM 565 HZ3 TRP A 52 -18.280 -14.916 21.925 1.00 24.23 H ATOM 566 HH2 TRP A 52 -19.607 -16.502 20.870 1.00 26.09 H ATOM 567 N GLU A 53 -11.387 -13.016 19.248 1.00 8.76 N ATOM 568 CA GLU A 53 -10.477 -12.026 19.788 1.00 9.00 C ATOM 569 C GLU A 53 -11.037 -10.627 19.664 1.00 9.36 C ATOM 570 O GLU A 53 -10.923 -9.839 20.608 1.00 9.98 O ATOM 571 CB GLU A 53 -9.111 -12.094 19.133 1.00 9.37 C ATOM 572 CG GLU A 53 -8.293 -13.320 19.537 1.00 9.75 C ATOM 573 CD GLU A 53 -7.918 -13.383 20.980 1.00 10.90 C ATOM 574 OE1 GLU A 53 -8.123 -12.443 21.763 1.00 11.96 O ATOM 575 OE2 GLU A 53 -7.367 -14.477 21.351 1.00 11.64 O ATOM 576 H GLU A 53 -11.105 -13.405 18.535 1.00 10.51 H ATOM 577 HA GLU A 53 -10.360 -12.236 20.728 1.00 10.81 H ATOM 578 HB2 GLU A 53 -9.229 -12.121 18.170 1.00 11.25 H ATOM 579 HB3 GLU A 53 -8.606 -11.305 19.383 1.00 11.25 H ATOM 580 HG2 GLU A 53 -8.812 -14.115 19.337 1.00 11.70 H ATOM 581 HG3 GLU A 53 -7.470 -13.323 19.023 1.00 11.70 H ATOM 582 N SER A 54 -11.560 -10.256 18.507 1.00 8.75 N ATOM 583 CA SER A 54 -11.802 -8.854 18.197 1.00 11.00 C ATOM 584 C SER A 54 -13.104 -8.590 17.474 1.00 10.47 C ATOM 585 O SER A 54 -13.403 -7.414 17.142 1.00 11.59 O ATOM 586 CB SER A 54 -10.667 -8.286 17.337 1.00 10.27 C ATOM 587 OG SER A 54 -10.735 -8.882 16.053 1.00 9.22 O ATOM 588 H SER A 54 -11.785 -10.799 17.880 1.00 10.50 H ATOM 589 HA SER A 54 -11.826 -8.376 19.040 1.00 13.20 H ATOM 590 HB2 SER A 54 -10.770 -7.325 17.256 1.00 12.32 H ATOM 591 HB3 SER A 54 -9.813 -8.494 17.748 1.00 12.32 H ATOM 592 HG SER A 54 -10.666 -9.717 16.120 1.00 11.07 H ATOM 593 N GLY A 55 -13.884 -9.602 17.127 1.00 9.88 N ATOM 594 CA GLY A 55 -14.997 -9.369 16.235 1.00 10.71 C ATOM 595 C GLY A 55 -14.563 -8.868 14.873 1.00 10.22 C ATOM 596 O GLY A 55 -15.249 -8.015 14.251 1.00 11.29 O ATOM 597 H GLY A 55 -13.789 -10.416 17.391 1.00 11.85 H ATOM 598 HA2 GLY A 55 -15.487 -10.197 16.112 1.00 12.85 H ATOM 599 HA3 GLY A 55 -15.588 -8.708 16.628 1.00 12.85 H ATOM 600 N TYR A 56 -13.409 -9.319 14.382 1.00 8.53 N ATOM 601 CA TYR A 56 -12.855 -8.931 13.092 1.00 8.67 C ATOM 602 C TYR A 56 -12.493 -7.448 13.020 1.00 8.03 C ATOM 603 O TYR A 56 -12.533 -6.875 11.929 1.00 10.00 O ATOM 604 CB TYR A 56 -13.842 -9.269 11.959 1.00 10.14 C ATOM 605 CG TYR A 56 -14.370 -10.702 11.906 1.00 9.25 C ATOM 606 CD1 TYR A 56 -13.564 -11.841 12.118 1.00 8.59 C ATOM 607 CD2 TYR A 56 -15.692 -10.923 11.613 1.00 10.36 C ATOM 608 CE1 TYR A 56 -14.059 -13.135 12.019 1.00 8.74 C ATOM 609 CE2 TYR A 56 -16.198 -12.245 11.473 1.00 11.22 C ATOM 610 CZ TYR A 56 -15.359 -13.306 11.696 1.00 8.27 C ATOM 611 OH TYR A 56 -15.843 -14.592 11.598 1.00 10.54 O ATOM 612 H TYR A 56 -12.907 -9.878 14.801 1.00 10.24 H ATOM 613 HA TYR A 56 -12.033 -9.429 12.964 1.00 10.40 H ATOM 614 HB2 TYR A 56 -14.613 -8.687 12.051 1.00 12.17 H ATOM 615 HB3 TYR A 56 -13.398 -9.100 11.114 1.00 12.17 H ATOM 616 HD1 TYR A 56 -12.667 -11.721 12.333 1.00 10.31 H ATOM 617 HD2 TYR A 56 -16.265 -10.199 11.504 1.00 12.44 H ATOM 618 HE1 TYR A 56 -13.507 -13.868 12.171 1.00 10.49 H ATOM 619 HE2 TYR A 56 -17.086 -12.387 11.234 1.00 13.47 H ATOM 620 HH TYR A 56 -15.220 -15.143 11.719 1.00 12.65 H ATOM 621 N ASN A 57 -12.057 -6.858 14.137 1.00 9.64 N ATOM 622 CA ASN A 57 -11.807 -5.427 14.238 1.00 9.61 C ATOM 623 C ASN A 57 -10.291 -5.178 14.358 1.00 8.54 C ATOM 624 O ASN A 57 -9.680 -5.607 15.347 1.00 9.69 O ATOM 625 CB ASN A 57 -12.551 -4.899 15.480 1.00 9.00 C ATOM 626 CG ASN A 57 -12.327 -3.418 15.708 1.00 9.01 C ATOM 627 OD1 ASN A 57 -11.776 -2.682 14.895 1.00 9.75 O ATOM 628 ND2 ASN A 57 -12.756 -2.990 16.879 1.00 10.80 N ATOM 629 H ASN A 57 -11.896 -7.283 14.867 1.00 11.57 H ATOM 630 HA ASN A 57 -12.108 -4.962 13.441 1.00 11.53 H ATOM 631 HB2 ASN A 57 -13.503 -5.045 15.364 1.00 10.80 H ATOM 632 HB3 ASN A 57 -12.236 -5.375 16.264 1.00 10.80 H ATOM 633 HD21 ASN A 57 -12.669 -2.162 17.093 1.00 12.97 H ATOM 634 HD22 ASN A 57 -13.122 -3.540 17.430 1.00 12.97 H ATOM 635 N THR A 58 -9.688 -4.512 13.385 1.00 8.53 N ATOM 636 CA THR A 58 -8.271 -4.258 13.416 1.00 9.03 C ATOM 637 C THR A 58 -7.854 -3.154 14.400 1.00 10.21 C ATOM 638 O THR A 58 -6.664 -3.060 14.693 1.00 10.36 O ATOM 639 CB THR A 58 -7.735 -3.872 12.028 1.00 9.50 C ATOM 640 OG1 THR A 58 -8.340 -2.634 11.611 1.00 9.02 O ATOM 641 CG2 THR A 58 -8.006 -4.915 10.947 1.00 9.07 C ATOM 642 H THR A 58 -10.085 -4.197 12.691 1.00 10.24 H ATOM 643 HA THR A 58 -7.863 -5.093 13.694 1.00 10.84 H ATOM 644 HB THR A 58 -6.772 -3.793 12.110 1.00 11.40 H ATOM 645 HG1 THR A 58 -9.176 -2.685 11.680 1.00 10.83 H ATOM 646 HG21 THR A 58 -7.612 -4.632 10.107 1.00 10.88 H ATOM 647 HG22 THR A 58 -7.620 -5.767 11.204 1.00 10.88 H ATOM 648 HG23 THR A 58 -8.962 -5.026 10.825 1.00 10.88 H ATOM 649 N ARG A 59 -8.752 -2.251 14.826 1.00 9.47 N ATOM 650 CA ARG A 59 -8.321 -1.066 15.567 1.00 12.65 C ATOM 651 C ARG A 59 -8.380 -1.291 17.086 1.00 16.50 C ATOM 652 O ARG A 59 -7.965 -0.398 17.825 1.00 30.02 O ATOM 653 CB ARG A 59 -9.075 0.198 15.134 1.00 14.01 C ATOM 654 CG ARG A 59 -10.343 0.536 15.951 0.87 12.49 C ATOM 655 CD ARG A 59 -11.060 1.873 15.598 0.76 10.72 C ATOM 656 NE ARG A 59 -10.102 2.988 15.675 0.78 11.64 N ATOM 657 CZ ARG A 59 -9.747 3.584 16.784 0.72 9.90 C ATOM 658 NH1 ARG A 59 -10.208 3.195 17.943 1.00 15.32 N ATOM 659 NH2 ARG A 59 -8.829 4.568 16.732 0.89 14.33 N ATOM 660 H ARG A 59 -9.600 -2.306 14.698 1.00 11.36 H ATOM 661 HA ARG A 59 -7.398 -0.871 15.338 1.00 15.19 H ATOM 662 HB2 ARG A 59 -8.473 0.954 15.212 1.00 16.81 H ATOM 663 HB3 ARG A 59 -9.350 0.087 14.210 1.00 16.81 H ATOM 664 HG2 ARG A 59 -10.988 -0.176 15.816 0.00 14.99 H ATOM 665 HG3 ARG A 59 -10.095 0.586 16.887 0.97 14.99 H ATOM 666 HD2 ARG A 59 -11.414 1.827 14.696 0.92 12.86 H ATOM 667 HD3 ARG A 59 -11.779 2.035 16.229 0.00 12.86 H ATOM 668 HE ARG A 59 -9.752 3.267 14.941 1.00 13.97 H ATOM 669 HH11 ARG A 59 -10.756 2.534 17.988 1.00 18.39 H ATOM 670 HH12 ARG A 59 -9.963 3.599 18.661 1.00 18.39 H ATOM 671 HH21 ARG A 59 -8.485 4.796 15.977 0.00 17.20 H ATOM 672 HH22 ARG A 59 -8.586 4.969 17.453 0.85 17.20 H ATOM 673 N ALA A 60 -8.847 -2.439 17.549 1.00 15.68 N ATOM 674 CA ALA A 60 -9.124 -2.624 18.989 1.00 22.83 C ATOM 675 C ALA A 60 -7.818 -2.700 19.809 1.00 20.53 C ATOM 676 O ALA A 60 -6.955 -3.475 19.441 1.00 12.68 O ATOM 677 CB ALA A 60 -9.919 -3.927 19.147 1.00 25.64 C ATOM 678 H ALA A 60 -9.014 -3.130 17.064 1.00 18.82 H ATOM 679 HA ALA A 60 -9.631 -1.871 19.331 1.00 27.39 H ATOM 680 HB1 ALA A 60 -10.109 -4.069 20.088 1.00 30.77 H ATOM 681 HB2 ALA A 60 -10.748 -3.854 18.649 1.00 30.77 H ATOM 682 HB3 ALA A 60 -9.390 -4.664 18.803 1.00 30.77 H ATOM 683 N THR A 61 -7.682 -1.943 20.962 1.00 20.69 N ATOM 684 CA THR A 61 -6.679 -2.298 21.984 1.00 14.73 C ATOM 685 C THR A 61 -7.380 -2.613 23.304 1.00 17.23 C ATOM 686 O THR A 61 -8.411 -2.001 23.633 1.00 18.36 O ATOM 687 CB THR A 61 -5.776 -1.202 22.269 1.00 21.49 C ATOM 688 OG1 THR A 61 -6.573 -0.041 22.578 1.00 29.61 O ATOM 689 CG2 THR A 61 -4.910 -0.890 21.042 1.00 21.21 C ATOM 690 H THR A 61 -8.154 -1.248 21.148 1.00 24.82 H ATOM 691 HA THR A 61 -6.184 -3.064 21.653 1.00 17.68 H ATOM 692 HB THR A 61 -5.189 -1.428 23.009 1.00 25.79 H ATOM 693 HG1 THR A 61 -6.107 0.654 22.511 1.00 35.53 H ATOM 694 HG21 THR A 61 -4.362 -0.108 21.213 1.00 25.45 H ATOM 695 HG22 THR A 61 -4.332 -1.643 20.844 1.00 25.45 H ATOM 696 HG23 THR A 61 -5.476 -0.715 20.274 1.00 25.45 H ATOM 697 N ASN A 62 -6.834 -3.604 24.014 1.00 14.95 N ATOM 698 CA ASN A 62 -7.314 -3.993 25.354 1.00 16.66 C ATOM 699 C ASN A 62 -6.171 -4.059 26.350 1.00 13.10 C ATOM 700 O ASN A 62 -5.246 -4.864 26.213 1.00 12.43 O ATOM 701 CB ASN A 62 -8.062 -5.307 25.310 1.00 16.81 C ATOM 702 CG ASN A 62 -9.384 -5.167 24.578 1.00 33.44 C ATOM 703 OD1 ASN A 62 -9.512 -5.604 23.420 1.00 24.52 O ATOM 704 ND2 ASN A 62 -10.323 -4.399 25.183 1.00 26.13 N ATOM 705 H ASN A 62 -6.171 -4.078 23.739 1.00 17.94 H ATOM 706 HA ASN A 62 -7.913 -3.296 25.665 1.00 19.99 H ATOM 707 HB2 ASN A 62 -7.524 -5.968 24.847 1.00 20.17 H ATOM 708 HB3 ASN A 62 -8.244 -5.603 26.216 1.00 20.17 H ATOM 709 HD21 ASN A 62 -10.152 -4.025 25.938 1.00 31.36 H ATOM 710 HD22 ASN A 62 -11.090 -4.286 24.811 1.00 31.36 H ATOM 711 N TYR A 63 -6.231 -3.167 27.337 1.00 13.64 N ATOM 712 CA TYR A 63 -5.225 -3.123 28.375 1.00 14.52 C ATOM 713 C TYR A 63 -5.480 -4.202 29.401 1.00 14.84 C ATOM 714 O TYR A 63 -6.609 -4.431 29.836 1.00 15.92 O ATOM 715 CB TYR A 63 -5.282 -1.750 29.024 1.00 12.30 C ATOM 716 CG TYR A 63 -4.303 -1.599 30.124 1.00 13.76 C ATOM 717 CD1 TYR A 63 -2.961 -1.659 29.851 1.00 12.86 C ATOM 718 CD2 TYR A 63 -4.711 -1.361 31.467 1.00 16.08 C ATOM 719 CE1 TYR A 63 -1.991 -1.493 30.872 1.00 13.60 C ATOM 720 CE2 TYR A 63 -3.747 -1.159 32.461 1.00 14.06 C ATOM 721 CZ TYR A 63 -2.395 -1.239 32.147 1.00 15.19 C ATOM 722 OH TYR A 63 -1.409 -1.119 33.143 1.00 18.21 O ATOM 723 H TYR A 63 -6.851 -2.577 27.423 1.00 16.37 H ATOM 724 HA TYR A 63 -4.341 -3.279 28.007 1.00 17.43 H ATOM 725 HB2 TYR A 63 -5.089 -1.075 28.355 1.00 14.76 H ATOM 726 HB3 TYR A 63 -6.169 -1.610 29.390 1.00 14.76 H ATOM 727 HD1 TYR A 63 -2.681 -1.812 28.977 1.00 15.43 H ATOM 728 HD2 TYR A 63 -5.615 -1.341 31.683 1.00 19.29 H ATOM 729 HE1 TYR A 63 -1.085 -1.557 30.672 1.00 16.32 H ATOM 730 HE2 TYR A 63 -4.012 -0.970 33.332 1.00 16.88 H ATOM 731 HH TYR A 63 -1.770 -0.978 33.888 1.00 21.86 H ATOM 732 N ASN A 64 -4.433 -4.905 29.743 1.00 12.94 N ATOM 733 CA ASN A 64 -4.462 -5.886 30.808 1.00 14.89 C ATOM 734 C ASN A 64 -3.841 -5.282 32.072 1.00 12.52 C ATOM 735 O ASN A 64 -2.610 -5.255 32.239 1.00 12.34 O ATOM 736 CB ASN A 64 -3.686 -7.124 30.390 1.00 13.89 C ATOM 737 CG ASN A 64 -4.174 -7.673 29.109 1.00 23.79 C ATOM 738 OD1 ASN A 64 -3.450 -7.727 28.130 1.00 22.60 O ATOM 739 ND2 ASN A 64 -5.429 -8.097 29.106 1.00 30.37 N ATOM 740 H ASN A 64 -3.665 -4.835 29.363 1.00 15.53 H ATOM 741 HA ASN A 64 -5.387 -6.110 30.997 1.00 17.87 H ATOM 742 HB2 ASN A 64 -2.750 -6.895 30.286 1.00 16.67 H ATOM 743 HB3 ASN A 64 -3.786 -7.808 31.071 1.00 16.67 H ATOM 744 HD21 ASN A 64 -5.903 -8.042 29.822 1.00 36.44 H ATOM 745 HD22 ASN A 64 -5.770 -8.427 28.389 1.00 36.44 H ATOM 746 N ALA A 65 -4.684 -4.826 32.974 1.00 14.23 N ATOM 747 CA ALA A 65 -4.183 -4.143 34.168 1.00 15.03 C ATOM 748 C ALA A 65 -3.377 -5.095 35.040 1.00 13.29 C ATOM 749 O ALA A 65 -2.489 -4.638 35.765 1.00 15.98 O ATOM 750 CB ALA A 65 -5.354 -3.557 34.960 1.00 16.68 C ATOM 751 H ALA A 65 -5.540 -4.893 32.929 1.00 17.07 H ATOM 752 HA ALA A 65 -3.606 -3.410 33.903 1.00 18.03 H ATOM 753 HB1 ALA A 65 -5.010 -3.123 35.757 1.00 20.02 H ATOM 754 HB2 ALA A 65 -5.817 -2.910 34.406 1.00 20.02 H ATOM 755 HB3 ALA A 65 -5.958 -4.274 35.208 1.00 20.02 H ATOM 756 N GLY A 66 -3.674 -6.365 35.016 1.00 14.25 N ATOM 757 CA GLY A 66 -2.946 -7.288 35.871 1.00 14.41 C ATOM 758 C GLY A 66 -1.453 -7.295 35.634 1.00 14.03 C ATOM 759 O GLY A 66 -0.670 -7.395 36.589 1.00 13.49 O ATOM 760 H GLY A 66 -4.282 -6.725 34.526 1.00 17.11 H ATOM 761 HA2 GLY A 66 -3.100 -7.048 36.798 1.00 17.29 H ATOM 762 HA3 GLY A 66 -3.277 -8.187 35.719 1.00 17.29 H ATOM 763 N ASP A 67 -1.022 -7.224 34.359 1.00 12.94 N ATOM 764 CA ASP A 67 0.406 -7.350 34.116 1.00 13.69 C ATOM 765 C ASP A 67 0.961 -6.193 33.273 1.00 11.28 C ATOM 766 O ASP A 67 2.107 -6.227 32.874 1.00 12.51 O ATOM 767 CB ASP A 67 0.888 -8.662 33.480 1.00 13.45 C ATOM 768 CG ASP A 67 0.513 -8.822 31.987 1.00 14.70 C ATOM 769 OD1 ASP A 67 -0.226 -7.994 31.519 1.00 13.41 O ATOM 770 OD2 ASP A 67 1.201 -9.587 31.279 1.00 17.51 O ATOM 771 H ASP A 67 -1.519 -7.109 33.666 1.00 15.53 H ATOM 772 HA ASP A 67 0.777 -7.345 35.012 1.00 16.43 H ATOM 773 HB2 ASP A 67 1.855 -8.702 33.545 1.00 16.15 H ATOM 774 HB3 ASP A 67 0.491 -9.405 33.962 1.00 16.15 H ATOM 775 N ARG A 68 0.208 -5.141 33.098 1.00 10.42 N ATOM 776 CA ARG A 68 0.635 -3.955 32.360 1.00 12.11 C ATOM 777 C ARG A 68 0.884 -4.136 30.877 1.00 14.54 C ATOM 778 O ARG A 68 1.398 -3.223 30.216 0.96 14.73 O ATOM 779 CB ARG A 68 1.834 -3.290 33.059 1.00 15.70 C ATOM 780 CG ARG A 68 1.511 -2.871 34.519 1.00 13.65 C ATOM 781 CD ARG A 68 2.496 -1.868 35.022 1.00 15.13 C ATOM 782 NE ARG A 68 2.304 -1.567 36.440 0.69 11.92 N ATOM 783 CZ ARG A 68 1.537 -0.605 36.943 0.86 12.89 C ATOM 784 NH1 ARG A 68 0.765 0.167 36.176 0.88 14.94 N ATOM 785 NH2 ARG A 68 1.538 -0.400 38.248 1.00 14.20 N ATOM 786 H ARG A 68 -0.592 -5.076 33.406 1.00 12.50 H ATOM 787 HA ARG A 68 -0.115 -3.340 32.372 1.00 14.54 H ATOM 788 HB2 ARG A 68 2.574 -3.916 33.081 1.00 18.85 H ATOM 789 HB3 ARG A 68 2.087 -2.494 32.565 1.00 18.85 H ATOM 790 HG2 ARG A 68 0.626 -2.475 34.553 1.00 16.38 H ATOM 791 HG3 ARG A 68 1.547 -3.651 35.094 1.00 16.38 H ATOM 792 HD2 ARG A 68 3.394 -2.217 34.906 1.00 18.16 H ATOM 793 HD3 ARG A 68 2.395 -1.043 34.522 1.00 18.16 H ATOM 794 HE ARG A 68 2.728 -2.059 37.003 0.61 14.30 H ATOM 795 HH11 ARG A 68 0.752 0.050 35.324 0.26 17.93 H ATOM 796 HH12 ARG A 68 0.280 0.780 36.533 0.01 17.93 H ATOM 797 HH21 ARG A 68 2.030 -0.885 38.760 1.00 17.04 H ATOM 798 HH22 ARG A 68 1.046 0.219 38.587 1.00 17.04 H ATOM 799 N SER A 69 0.385 -5.176 30.305 1.00 12.46 N ATOM 800 CA SER A 69 0.498 -5.404 28.863 1.00 11.30 C ATOM 801 C SER A 69 -0.791 -4.991 28.200 1.00 11.21 C ATOM 802 O SER A 69 -1.814 -4.765 28.825 1.00 10.56 O ATOM 803 CB SER A 69 0.828 -6.866 28.587 1.00 11.03 C ATOM 804 OG SER A 69 -0.293 -7.707 28.819 1.00 11.98 O ATOM 805 H SER A 69 -0.041 -5.796 30.722 1.00 14.96 H ATOM 806 HA SER A 69 1.217 -4.874 28.486 1.00 13.56 H ATOM 807 HB2 SER A 69 1.100 -6.956 27.661 1.00 13.24 H ATOM 808 HB3 SER A 69 1.551 -7.139 29.173 1.00 13.24 H ATOM 809 HG SER A 69 -0.588 -7.584 29.596 1.00 14.38 H ATOM 810 N THR A 70 -0.741 -4.921 26.881 1.00 9.48 N ATOM 811 CA THR A 70 -1.876 -4.576 26.061 1.00 10.61 C ATOM 812 C THR A 70 -1.974 -5.532 24.862 1.00 9.70 C ATOM 813 O THR A 70 -0.945 -5.974 24.310 1.00 9.33 O ATOM 814 CB THR A 70 -1.774 -3.125 25.536 1.00 9.35 C ATOM 815 OG1 THR A 70 -1.687 -2.241 26.674 1.00 10.49 O ATOM 816 CG2 THR A 70 -2.952 -2.713 24.692 1.00 11.80 C ATOM 817 H THR A 70 -0.029 -5.076 26.424 1.00 11.38 H ATOM 818 HA THR A 70 -2.682 -4.667 26.593 1.00 12.73 H ATOM 819 HB THR A 70 -0.991 -3.060 24.967 1.00 11.22 H ATOM 820 HG1 THR A 70 -1.002 -2.420 27.126 1.00 12.59 H ATOM 821 HG21 THR A 70 -2.928 -1.756 24.534 1.00 14.16 H ATOM 822 HG22 THR A 70 -2.925 -3.173 23.838 1.00 14.16 H ATOM 823 HG23 THR A 70 -3.780 -2.937 25.145 1.00 14.16 H ATOM 824 N ASP A 71 -3.218 -5.838 24.497 1.00 10.29 N ATOM 825 CA ASP A 71 -3.529 -6.674 23.340 1.00 9.50 C ATOM 826 C ASP A 71 -3.957 -5.787 22.189 1.00 9.43 C ATOM 827 O ASP A 71 -4.754 -4.900 22.366 1.00 12.21 O ATOM 828 CB ASP A 71 -4.687 -7.622 23.679 1.00 11.63 C ATOM 829 CG ASP A 71 -4.381 -8.570 24.815 1.00 14.48 C ATOM 830 OD1 ASP A 71 -3.240 -9.022 24.889 1.00 17.84 O ATOM 831 OD2 ASP A 71 -5.318 -8.805 25.581 1.00 22.06 O ATOM 832 H ASP A 71 -3.917 -5.565 24.915 1.00 12.35 H ATOM 833 HA ASP A 71 -2.746 -7.185 23.084 1.00 11.40 H ATOM 834 HB2 ASP A 71 -5.460 -7.094 23.933 1.00 13.96 H ATOM 835 HB3 ASP A 71 -4.893 -8.155 22.895 1.00 13.96 H ATOM 836 N TYR A 72 -3.452 -6.075 20.975 1.00 8.76 N ATOM 837 CA TYR A 72 -3.575 -5.175 19.809 1.00 9.97 C ATOM 838 C TYR A 72 -4.207 -5.847 18.590 1.00 10.08 C ATOM 839 O TYR A 72 -3.740 -6.892 18.135 1.00 8.53 O ATOM 840 CB TYR A 72 -2.195 -4.639 19.393 1.00 8.72 C ATOM 841 CG TYR A 72 -1.593 -3.684 20.380 1.00 10.11 C ATOM 842 CD1 TYR A 72 -0.834 -4.158 21.455 1.00 9.30 C ATOM 843 CD2 TYR A 72 -1.782 -2.339 20.270 1.00 10.66 C ATOM 844 CE1 TYR A 72 -0.267 -3.238 22.406 1.00 10.18 C ATOM 845 CE2 TYR A 72 -1.235 -1.466 21.184 1.00 10.32 C ATOM 846 CZ TYR A 72 -0.492 -1.938 22.246 1.00 8.28 C ATOM 847 OH TYR A 72 0.022 -1.016 23.122 1.00 11.00 O ATOM 848 H TYR A 72 -3.024 -6.801 20.799 1.00 10.51 H ATOM 849 HA TYR A 72 -4.171 -4.459 20.079 1.00 11.97 H ATOM 850 HB2 TYR A 72 -1.587 -5.388 19.296 1.00 10.46 H ATOM 851 HB3 TYR A 72 -2.285 -4.173 18.547 1.00 10.46 H ATOM 852 HD1 TYR A 72 -0.695 -5.072 21.556 1.00 11.16 H ATOM 853 HD2 TYR A 72 -2.290 -2.005 19.566 1.00 12.79 H ATOM 854 HE1 TYR A 72 0.246 -3.546 23.118 1.00 12.22 H ATOM 855 HE2 TYR A 72 -1.367 -0.551 21.085 1.00 12.38 H ATOM 856 HH TYR A 72 0.529 -1.396 23.674 1.00 13.20 H ATOM 857 N GLY A 73 -5.235 -5.228 18.042 1.00 8.94 N ATOM 858 CA GLY A 73 -5.683 -5.536 16.696 1.00 8.48 C ATOM 859 C GLY A 73 -6.560 -6.769 16.562 1.00 9.58 C ATOM 860 O GLY A 73 -7.169 -7.279 17.510 1.00 9.01 O ATOM 861 H GLY A 73 -5.697 -4.617 18.432 1.00 10.73 H ATOM 862 HA2 GLY A 73 -6.188 -4.779 16.359 1.00 10.18 H ATOM 863 HA3 GLY A 73 -4.903 -5.670 16.135 1.00 10.18 H ATOM 864 N ILE A 74 -6.606 -7.234 15.323 1.00 8.28 N ATOM 865 CA ILE A 74 -7.633 -8.208 14.965 1.00 8.77 C ATOM 866 C ILE A 74 -7.400 -9.549 15.650 1.00 8.20 C ATOM 867 O ILE A 74 -8.368 -10.260 15.932 1.00 8.99 O ATOM 868 CB ILE A 74 -7.689 -8.374 13.427 1.00 7.92 C ATOM 869 CG1 ILE A 74 -8.974 -9.046 12.978 1.00 9.22 C ATOM 870 CG2 ILE A 74 -6.430 -8.996 12.822 1.00 8.93 C ATOM 871 CD1 ILE A 74 -9.258 -8.928 11.492 1.00 8.99 C ATOM 872 H ILE A 74 -6.072 -7.012 14.686 1.00 9.93 H ATOM 873 HA ILE A 74 -8.487 -7.868 15.276 1.00 10.53 H ATOM 874 HB ILE A 74 -7.705 -7.474 13.065 1.00 9.51 H ATOM 875 HG12 ILE A 74 -8.919 -9.991 13.192 1.00 11.06 H ATOM 876 HG13 ILE A 74 -9.717 -8.641 13.452 1.00 11.06 H ATOM 877 HG21 ILE A 74 -6.465 -8.904 11.857 1.00 10.72 H ATOM 878 HG22 ILE A 74 -5.651 -8.534 13.170 1.00 10.72 H ATOM 879 HG23 ILE A 74 -6.394 -9.934 13.064 1.00 10.72 H ATOM 880 HD11 ILE A 74 -10.129 -9.313 11.306 1.00 10.79 H ATOM 881 HD12 ILE A 74 -9.250 -7.991 11.243 1.00 10.79 H ATOM 882 HD13 ILE A 74 -8.573 -9.407 11.000 1.00 10.79 H ATOM 883 N PHE A 75 -6.137 -9.890 15.943 1.00 9.03 N ATOM 884 CA PHE A 75 -5.833 -11.104 16.679 1.00 8.83 C ATOM 885 C PHE A 75 -5.481 -10.838 18.135 1.00 9.36 C ATOM 886 O PHE A 75 -5.113 -11.779 18.830 1.00 10.32 O ATOM 887 CB PHE A 75 -4.645 -11.803 16.032 1.00 9.08 C ATOM 888 CG PHE A 75 -4.865 -12.246 14.584 1.00 8.99 C ATOM 889 CD1 PHE A 75 -5.911 -13.070 14.244 1.00 9.98 C ATOM 890 CD2 PHE A 75 -3.997 -11.765 13.620 1.00 11.34 C ATOM 891 CE1 PHE A 75 -6.054 -13.507 12.896 1.00 12.85 C ATOM 892 CE2 PHE A 75 -4.151 -12.148 12.294 1.00 12.32 C ATOM 893 CZ PHE A 75 -5.163 -12.958 11.938 1.00 12.44 C ATOM 894 H PHE A 75 -5.447 -9.428 15.723 1.00 10.84 H ATOM 895 HA PHE A 75 -6.613 -11.680 16.646 1.00 10.59 H ATOM 896 HB2 PHE A 75 -3.890 -11.194 16.038 1.00 10.90 H ATOM 897 HB3 PHE A 75 -4.436 -12.596 16.550 1.00 10.90 H ATOM 898 HD1 PHE A 75 -6.523 -13.341 14.890 1.00 11.97 H ATOM 899 HD2 PHE A 75 -3.310 -11.185 13.859 1.00 13.61 H ATOM 900 HE1 PHE A 75 -6.704 -14.127 12.654 1.00 15.42 H ATOM 901 HE2 PHE A 75 -3.553 -11.844 11.650 1.00 14.78 H ATOM 902 HZ PHE A 75 -5.283 -13.164 11.039 1.00 14.92 H ATOM 903 N GLN A 76 -5.639 -9.595 18.601 1.00 9.36 N ATOM 904 CA GLN A 76 -5.381 -9.204 19.989 1.00 10.14 C ATOM 905 C GLN A 76 -4.035 -9.764 20.451 1.00 10.71 C ATOM 906 O GLN A 76 -3.938 -10.437 21.507 1.00 11.55 O ATOM 907 CB GLN A 76 -6.555 -9.631 20.885 1.00 9.89 C ATOM 908 CG GLN A 76 -7.774 -8.770 20.676 1.00 12.05 C ATOM 909 CD GLN A 76 -7.622 -7.390 21.154 1.00 10.74 C ATOM 910 OE1 GLN A 76 -7.734 -7.164 22.372 1.00 12.83 O ATOM 911 NE2 GLN A 76 -7.361 -6.429 20.293 1.00 10.48 N ATOM 912 H GLN A 76 -5.905 -8.938 18.114 1.00 11.23 H ATOM 913 HA GLN A 76 -5.314 -8.239 20.060 1.00 12.17 H ATOM 914 HB2 GLN A 76 -6.794 -10.548 20.680 1.00 11.87 H ATOM 915 HB3 GLN A 76 -6.288 -9.557 21.815 1.00 11.87 H ATOM 916 HG2 GLN A 76 -7.970 -8.733 19.727 1.00 14.46 H ATOM 917 HG3 GLN A 76 -8.520 -9.166 21.153 1.00 14.46 H ATOM 918 HE21 GLN A 76 -7.281 -6.611 19.456 1.00 12.58 H ATOM 919 HE22 GLN A 76 -7.271 -5.618 20.566 1.00 12.58 H ATOM 920 N ILE A 77 -3.002 -9.500 19.699 1.00 9.27 N ATOM 921 CA ILE A 77 -1.631 -9.947 19.991 1.00 9.59 C ATOM 922 C ILE A 77 -1.035 -9.096 21.124 1.00 10.77 C ATOM 923 O ILE A 77 -1.170 -7.862 21.152 1.00 9.71 O ATOM 924 CB ILE A 77 -0.792 -9.896 18.704 1.00 8.88 C ATOM 925 CG1 ILE A 77 -1.254 -11.049 17.805 1.00 10.69 C ATOM 926 CG2 ILE A 77 0.684 -9.945 19.039 1.00 9.97 C ATOM 927 CD1 ILE A 77 -0.744 -10.956 16.374 1.00 11.50 C ATOM 928 H ILE A 77 -3.050 -9.041 18.974 1.00 11.12 H ATOM 929 HA ILE A 77 -1.642 -10.864 20.308 1.00 11.52 H ATOM 930 HB ILE A 77 -0.925 -9.064 18.225 1.00 10.66 H ATOM 931 HG12 ILE A 77 -0.933 -11.884 18.180 1.00 12.83 H ATOM 932 HG13 ILE A 77 -2.224 -11.051 17.773 1.00 12.83 H ATOM 933 HG21 ILE A 77 1.183 -10.157 18.235 1.00 11.97 H ATOM 934 HG22 ILE A 77 0.958 -9.081 19.382 1.00 11.97 H ATOM 935 HG23 ILE A 77 0.833 -10.630 19.710 1.00 11.97 H ATOM 936 HD11 ILE A 77 -1.092 -11.704 15.865 1.00 13.81 H ATOM 937 HD12 ILE A 77 -1.047 -10.121 15.985 1.00 13.81 H ATOM 938 HD13 ILE A 77 0.226 -10.984 16.383 1.00 13.81 H ATOM 939 N ASN A 78 -0.394 -9.749 22.079 1.00 10.18 N ATOM 940 CA ASN A 78 -0.010 -9.120 23.352 1.00 9.75 C ATOM 941 C ASN A 78 1.399 -8.534 23.294 1.00 10.77 C ATOM 942 O ASN A 78 2.327 -9.111 22.718 1.00 11.55 O ATOM 943 CB ASN A 78 -0.160 -10.170 24.473 1.00 11.51 C ATOM 944 CG ASN A 78 0.104 -9.658 25.850 1.00 11.65 C ATOM 945 OD1 ASN A 78 1.198 -9.741 26.352 1.00 13.26 O ATOM 946 ND2 ASN A 78 -0.900 -9.106 26.432 1.00 13.26 N ATOM 947 H ASN A 78 -0.161 -10.575 22.022 1.00 12.22 H ATOM 948 HA ASN A 78 -0.584 -8.364 23.549 1.00 11.70 H ATOM 949 HB2 ASN A 78 -1.068 -10.509 24.458 1.00 13.81 H ATOM 950 HB3 ASN A 78 0.467 -10.891 24.306 1.00 13.81 H ATOM 951 HD21 ASN A 78 -0.815 -8.790 27.227 1.00 15.91 H ATOM 952 HD22 ASN A 78 -1.656 -9.052 26.026 1.00 15.91 H ATOM 953 N SER A 79 1.556 -7.363 23.971 1.00 9.38 N ATOM 954 CA SER A 79 2.811 -6.600 23.950 1.00 10.10 C ATOM 955 C SER A 79 3.903 -7.182 24.851 1.00 11.02 C ATOM 956 O SER A 79 5.071 -6.776 24.700 1.00 13.62 O ATOM 957 CB SER A 79 2.530 -5.189 24.404 1.00 9.94 C ATOM 958 OG SER A 79 2.022 -5.163 25.773 1.00 10.82 O ATOM 959 H SER A 79 0.941 -6.998 24.449 1.00 11.25 H ATOM 960 HA SER A 79 3.150 -6.596 23.041 1.00 12.12 H ATOM 961 HB2 SER A 79 3.353 -4.677 24.365 1.00 11.93 H ATOM 962 HB3 SER A 79 1.867 -4.796 23.815 1.00 11.93 H ATOM 963 HG SER A 79 1.897 -4.369 26.018 1.00 12.98 H ATOM 964 N ARG A 80 3.601 -8.141 25.728 1.00 12.57 N ATOM 965 CA ARG A 80 4.672 -8.686 26.580 1.00 13.19 C ATOM 966 C ARG A 80 5.711 -9.492 25.799 1.00 15.61 C ATOM 967 O ARG A 80 6.903 -9.427 26.140 1.00 15.07 O ATOM 968 CB ARG A 80 4.054 -9.588 27.634 1.00 16.00 C ATOM 969 CG ARG A 80 5.115 -10.226 28.536 1.00 16.59 C ATOM 970 CD ARG A 80 4.691 -10.494 30.010 1.00 17.15 C ATOM 971 NE ARG A 80 4.201 -9.286 30.630 1.00 17.96 N ATOM 972 CZ ARG A 80 4.990 -8.296 31.031 1.00 14.63 C ATOM 973 NH1 ARG A 80 6.318 -8.429 30.968 1.00 17.35 N ATOM 974 NH2 ARG A 80 4.488 -7.178 31.495 1.00 17.26 N ATOM 975 H ARG A 80 2.821 -8.482 25.849 1.00 15.09 H ATOM 976 HA ARG A 80 5.128 -7.938 26.998 1.00 15.82 H ATOM 977 HB2 ARG A 80 3.457 -9.065 28.191 1.00 19.20 H ATOM 978 HB3 ARG A 80 3.561 -10.299 27.195 1.00 19.20 H ATOM 979 HG2 ARG A 80 5.366 -11.081 28.152 1.00 19.91 H ATOM 980 HG3 ARG A 80 5.885 -9.637 28.563 1.00 19.91 H ATOM 981 HD2 ARG A 80 3.984 -11.158 30.028 1.00 20.58 H ATOM 982 HD3 ARG A 80 5.457 -10.810 30.515 1.00 20.58 H ATOM 983 HE ARG A 80 3.353 -9.203 30.746 1.00 21.56 H ATOM 984 HH11 ARG A 80 6.664 -9.157 30.668 1.00 20.82 H ATOM 985 HH12 ARG A 80 6.827 -7.787 31.229 1.00 20.82 H ATOM 986 HH21 ARG A 80 3.635 -7.076 31.543 1.00 20.71 H ATOM 987 HH22 ARG A 80 5.011 -6.545 31.751 1.00 20.71 H ATOM 988 N TYR A 81 5.320 -10.217 24.751 1.00 12.51 N ATOM 989 CA TYR A 81 6.245 -11.026 23.985 1.00 12.69 C ATOM 990 C TYR A 81 6.334 -10.644 22.538 1.00 13.05 C ATOM 991 O TYR A 81 7.381 -10.841 21.969 1.00 13.13 O ATOM 992 CB TYR A 81 5.944 -12.553 24.088 1.00 15.27 C ATOM 993 CG TYR A 81 7.160 -13.423 23.712 1.00 18.52 C ATOM 994 CD1 TYR A 81 7.257 -14.027 22.482 1.00 17.75 C ATOM 995 CD2 TYR A 81 8.216 -13.630 24.648 1.00 20.09 C ATOM 996 CE1 TYR A 81 8.373 -14.779 22.118 1.00 20.00 C ATOM 997 CE2 TYR A 81 9.341 -14.404 24.301 1.00 19.28 C ATOM 998 CZ TYR A 81 9.396 -15.006 23.037 1.00 22.52 C ATOM 999 OH TYR A 81 10.503 -15.800 22.661 1.00 24.82 O ATOM 1000 H TYR A 81 4.509 -10.253 24.466 1.00 15.01 H ATOM 1001 HA TYR A 81 7.121 -10.906 24.385 1.00 15.22 H ATOM 1002 HB2 TYR A 81 5.693 -12.765 25.001 1.00 18.33 H ATOM 1003 HB3 TYR A 81 5.218 -12.773 23.484 1.00 18.33 H ATOM 1004 HD1 TYR A 81 6.558 -13.932 21.875 1.00 21.30 H ATOM 1005 HD2 TYR A 81 8.163 -13.249 25.495 1.00 24.11 H ATOM 1006 HE1 TYR A 81 8.436 -15.129 21.259 1.00 24.00 H ATOM 1007 HE2 TYR A 81 10.040 -14.514 24.905 1.00 23.14 H ATOM 1008 HH TYR A 81 10.412 -16.062 21.868 1.00 29.78 H ATOM 1009 N TRP A 82 5.319 -10.025 21.936 1.00 11.91 N ATOM 1010 CA TRP A 82 5.212 -10.100 20.483 1.00 12.61 C ATOM 1011 C TRP A 82 5.474 -8.788 19.744 1.00 9.16 C ATOM 1012 O TRP A 82 5.969 -8.822 18.619 1.00 10.86 O ATOM 1013 CB TRP A 82 3.808 -10.675 20.057 1.00 10.88 C ATOM 1014 CG TRP A 82 3.583 -11.977 20.652 1.00 10.66 C ATOM 1015 CD1 TRP A 82 2.767 -12.265 21.665 1.00 10.69 C ATOM 1016 CD2 TRP A 82 4.303 -13.180 20.355 1.00 11.32 C ATOM 1017 NE1 TRP A 82 2.928 -13.614 22.050 1.00 11.88 N ATOM 1018 CE2 TRP A 82 3.822 -14.184 21.204 1.00 11.31 C ATOM 1019 CE3 TRP A 82 5.212 -13.526 19.368 1.00 11.09 C ATOM 1020 CZ2 TRP A 82 4.307 -15.512 21.166 1.00 13.41 C ATOM 1021 CZ3 TRP A 82 5.710 -14.864 19.372 1.00 11.48 C ATOM 1022 CH2 TRP A 82 5.259 -15.799 20.271 1.00 13.76 C ATOM 1023 H TRP A 82 4.705 -9.574 22.335 1.00 14.30 H ATOM 1024 HA TRP A 82 5.889 -10.723 20.177 1.00 15.14 H ATOM 1025 HB2 TRP A 82 3.108 -10.074 20.356 1.00 13.05 H ATOM 1026 HB3 TRP A 82 3.776 -10.768 19.092 1.00 13.05 H ATOM 1027 HD1 TRP A 82 2.178 -11.665 22.061 1.00 12.83 H ATOM 1028 HE1 TRP A 82 2.531 -14.005 22.705 1.00 14.26 H ATOM 1029 HE3 TRP A 82 5.487 -12.910 18.727 1.00 13.30 H ATOM 1030 HZ2 TRP A 82 3.976 -16.162 21.742 1.00 16.09 H ATOM 1031 HZ3 TRP A 82 6.356 -15.108 18.749 1.00 13.78 H ATOM 1032 HH2 TRP A 82 5.626 -16.654 20.258 1.00 16.52 H ATOM 1033 N CYS A 83 5.087 -7.619 20.272 1.00 11.60 N ATOM 1034 CA CYS A 83 5.282 -6.335 19.620 1.00 10.46 C ATOM 1035 C CYS A 83 5.758 -5.363 20.676 1.00 10.93 C ATOM 1036 O CYS A 83 5.598 -5.594 21.880 1.00 10.60 O ATOM 1037 CB CYS A 83 4.001 -5.865 18.939 1.00 11.79 C ATOM 1038 SG CYS A 83 2.582 -5.541 20.027 1.00 11.11 S ATOM 1039 H CYS A 83 4.697 -7.549 21.035 1.00 13.93 H ATOM 1040 HA CYS A 83 5.961 -6.383 18.929 1.00 12.56 H ATOM 1041 HB2 CYS A 83 4.195 -5.039 18.470 1.00 14.15 H ATOM 1042 HB3 CYS A 83 3.726 -6.549 18.309 1.00 14.15 H ATOM 1043 N ASN A 84 6.405 -4.272 20.243 1.00 9.95 N ATOM 1044 CA ASN A 84 6.858 -3.247 21.186 1.00 10.15 C ATOM 1045 C ASN A 84 5.894 -2.073 21.229 1.00 9.84 C ATOM 1046 O ASN A 84 5.651 -1.418 20.190 1.00 9.19 O ATOM 1047 CB ASN A 84 8.232 -2.713 20.810 1.00 9.38 C ATOM 1048 CG ASN A 84 8.751 -1.709 21.840 1.00 11.29 C ATOM 1049 OD1 ASN A 84 8.681 -1.975 23.054 1.00 11.33 O ATOM 1050 ND2 ASN A 84 9.215 -0.566 21.376 1.00 10.85 N ATOM 1051 H ASN A 84 6.589 -4.109 19.419 1.00 11.94 H ATOM 1052 HA ASN A 84 6.891 -3.661 22.062 1.00 12.18 H ATOM 1053 HB2 ASN A 84 8.860 -3.451 20.762 1.00 11.26 H ATOM 1054 HB3 ASN A 84 8.178 -2.267 19.951 1.00 11.26 H ATOM 1055 HD21 ASN A 84 9.517 0.028 21.920 1.00 13.02 H ATOM 1056 HD22 ASN A 84 9.216 -0.415 20.530 1.00 13.02 H ATOM 1057 N ASP A 85 5.447 -1.738 22.452 1.00 9.70 N ATOM 1058 CA ASP A 85 4.719 -0.507 22.711 1.00 9.23 C ATOM 1059 C ASP A 85 5.460 0.413 23.661 1.00 10.79 C ATOM 1060 O ASP A 85 4.922 1.486 23.966 1.00 10.38 O ATOM 1061 CB ASP A 85 3.287 -0.735 23.171 1.00 9.37 C ATOM 1062 CG ASP A 85 3.140 -1.443 24.507 1.00 10.80 C ATOM 1063 OD1 ASP A 85 4.128 -1.656 25.248 1.00 10.73 O ATOM 1064 OD2 ASP A 85 1.970 -1.783 24.780 1.00 10.91 O ATOM 1065 H ASP A 85 5.560 -2.223 23.153 1.00 11.64 H ATOM 1066 HA ASP A 85 4.631 -0.050 21.860 1.00 11.08 H ATOM 1067 HB2 ASP A 85 2.850 0.127 23.251 1.00 11.24 H ATOM 1068 HB3 ASP A 85 2.834 -1.277 22.506 1.00 11.24 H ATOM 1069 N GLY A 86 6.671 0.082 24.094 1.00 9.82 N ATOM 1070 CA GLY A 86 7.422 0.982 24.955 1.00 11.04 C ATOM 1071 C GLY A 86 6.964 1.058 26.391 1.00 12.20 C ATOM 1072 O GLY A 86 7.696 1.640 27.212 1.00 16.67 O ATOM 1073 H GLY A 86 7.074 -0.653 23.904 1.00 11.79 H ATOM 1074 HA2 GLY A 86 8.350 0.697 24.960 1.00 13.25 H ATOM 1075 HA3 GLY A 86 7.369 1.877 24.584 1.00 13.25 H ATOM 1076 N LYS A 87 5.798 0.541 26.745 1.00 12.38 N ATOM 1077 CA LYS A 87 5.221 0.782 28.087 1.00 12.49 C ATOM 1078 C LYS A 87 4.927 -0.537 28.804 1.00 13.12 C ATOM 1079 O LYS A 87 4.200 -0.542 29.807 1.00 13.86 O ATOM 1080 CB LYS A 87 3.944 1.642 27.956 1.00 13.02 C ATOM 1081 CG LYS A 87 2.857 1.046 27.083 1.00 13.21 C ATOM 1082 CD LYS A 87 1.523 1.792 27.109 1.00 13.58 C ATOM 1083 CE LYS A 87 0.489 1.283 26.132 1.00 16.52 C ATOM 1084 NZ LYS A 87 -0.653 2.283 26.019 1.00 18.09 N ATOM 1085 H LYS A 87 5.312 0.047 26.235 1.00 14.86 H ATOM 1086 HA LYS A 87 5.845 1.281 28.636 1.00 14.98 H ATOM 1087 HB2 LYS A 87 3.568 1.770 28.841 1.00 15.63 H ATOM 1088 HB3 LYS A 87 4.188 2.499 27.573 1.00 15.63 H ATOM 1089 HG2 LYS A 87 3.169 1.042 26.164 1.00 15.85 H ATOM 1090 HG3 LYS A 87 2.688 0.138 27.379 1.00 15.85 H ATOM 1091 HD2 LYS A 87 1.145 1.715 27.999 1.00 16.29 H ATOM 1092 HD3 LYS A 87 1.687 2.724 26.898 1.00 16.29 H ATOM 1093 HE2 LYS A 87 0.892 1.170 25.257 1.00 19.83 H ATOM 1094 HE3 LYS A 87 0.132 0.437 26.445 1.00 19.83 H ATOM 1095 HZ1 LYS A 87 -1.258 1.990 25.436 1.00 21.71 H ATOM 1096 HZ2 LYS A 87 -1.044 2.391 26.811 1.00 21.71 H ATOM 1097 HZ3 LYS A 87 -0.342 3.070 25.741 1.00 21.71 H ATOM 1098 N THR A 88 5.431 -1.645 28.304 1.00 11.76 N ATOM 1099 CA THR A 88 5.162 -2.928 28.954 1.00 12.41 C ATOM 1100 C THR A 88 6.428 -3.389 29.627 1.00 15.64 C ATOM 1101 O THR A 88 7.444 -3.645 28.946 1.00 13.69 O ATOM 1102 CB THR A 88 4.722 -3.965 27.921 1.00 11.28 C ATOM 1103 OG1 THR A 88 3.574 -3.456 27.238 1.00 11.06 O ATOM 1104 CG2 THR A 88 4.336 -5.318 28.567 1.00 12.99 C ATOM 1105 H THR A 88 5.925 -1.689 27.601 1.00 14.11 H ATOM 1106 HA THR A 88 4.457 -2.826 29.613 1.00 14.89 H ATOM 1107 HB THR A 88 5.459 -4.131 27.313 1.00 13.53 H ATOM 1108 HG1 THR A 88 3.770 -2.744 26.838 1.00 13.27 H ATOM 1109 HG21 THR A 88 4.078 -5.952 27.879 1.00 15.59 H ATOM 1110 HG22 THR A 88 5.091 -5.677 29.059 1.00 15.59 H ATOM 1111 HG23 THR A 88 3.593 -5.194 29.177 1.00 15.59 H ATOM 1112 N PRO A 89 6.442 -3.408 30.960 1.00 15.61 N ATOM 1113 CA PRO A 89 7.721 -3.607 31.633 1.00 15.27 C ATOM 1114 C PRO A 89 8.318 -5.013 31.415 1.00 16.56 C ATOM 1115 O PRO A 89 7.628 -6.049 31.383 1.00 18.85 O ATOM 1116 CB PRO A 89 7.419 -3.292 33.094 1.00 18.75 C ATOM 1117 CG PRO A 89 5.965 -3.536 33.285 1.00 19.79 C ATOM 1118 CD PRO A 89 5.350 -3.127 31.888 1.00 16.10 C ATOM 1119 HA PRO A 89 8.367 -2.964 31.300 1.00 18.32 H ATOM 1120 HB2 PRO A 89 7.941 -3.876 33.666 1.00 22.51 H ATOM 1121 HB3 PRO A 89 7.637 -2.365 33.278 1.00 22.51 H ATOM 1122 HG2 PRO A 89 5.802 -4.471 33.484 1.00 23.76 H ATOM 1123 HG3 PRO A 89 5.620 -2.979 34.001 1.00 23.76 H ATOM 1124 HD2 PRO A 89 4.571 -3.665 31.681 1.00 19.33 H ATOM 1125 HD3 PRO A 89 5.116 -2.185 31.874 1.00 19.33 H ATOM 1126 N GLY A 90 9.601 -5.013 31.069 1.00 18.12 N ATOM 1127 CA GLY A 90 10.303 -6.237 30.820 1.00 20.13 C ATOM 1128 C GLY A 90 9.899 -6.969 29.567 1.00 17.86 C ATOM 1129 O GLY A 90 10.344 -8.103 29.367 1.00 21.94 O ATOM 1130 H GLY A 90 10.081 -4.306 30.975 1.00 21.75 H ATOM 1131 HA2 GLY A 90 11.250 -6.041 30.753 1.00 24.16 H ATOM 1132 HA3 GLY A 90 10.156 -6.835 31.569 1.00 24.16 H ATOM 1133 N ALA A 91 9.178 -6.318 28.643 1.00 18.22 N ATOM 1134 CA ALA A 91 8.674 -6.991 27.452 1.00 13.72 C ATOM 1135 C ALA A 91 9.738 -7.190 26.388 1.00 12.70 C ATOM 1136 O ALA A 91 10.812 -6.555 26.389 1.00 18.93 O ATOM 1137 CB ALA A 91 7.490 -6.185 26.910 1.00 18.41 C ATOM 1138 H ALA A 91 8.971 -5.485 28.688 1.00 21.86 H ATOM 1139 HA ALA A 91 8.383 -7.887 27.681 1.00 16.47 H ATOM 1140 HB1 ALA A 91 7.118 -6.647 26.143 1.00 22.10 H ATOM 1141 HB2 ALA A 91 6.819 -6.104 27.606 1.00 22.10 H ATOM 1142 HB3 ALA A 91 7.801 -5.305 26.647 1.00 22.10 H ATOM 1143 N VAL A 92 9.435 -8.126 25.485 1.00 13.64 N ATOM 1144 CA VAL A 92 10.226 -8.337 24.303 1.00 12.90 C ATOM 1145 C VAL A 92 9.282 -8.148 23.106 1.00 16.52 C ATOM 1146 O VAL A 92 8.077 -7.812 23.260 1.00 15.47 O ATOM 1147 CB VAL A 92 10.950 -9.697 24.312 1.00 16.29 C ATOM 1148 CG1 VAL A 92 11.988 -9.727 25.450 1.00 18.13 C ATOM 1149 CG2 VAL A 92 9.993 -10.859 24.380 1.00 17.83 C ATOM 1150 H VAL A 92 8.759 -8.654 25.548 1.00 16.37 H ATOM 1151 HA VAL A 92 10.940 -7.683 24.244 1.00 15.48 H ATOM 1152 HB VAL A 92 11.419 -9.804 23.470 1.00 19.55 H ATOM 1153 HG11 VAL A 92 12.444 -10.583 25.440 1.00 21.76 H ATOM 1154 HG12 VAL A 92 12.628 -9.010 25.313 1.00 21.76 H ATOM 1155 HG13 VAL A 92 11.532 -9.605 26.297 1.00 21.76 H ATOM 1156 HG21 VAL A 92 10.501 -11.685 24.417 1.00 21.40 H ATOM 1157 HG22 VAL A 92 9.446 -10.772 25.176 1.00 21.40 H ATOM 1158 HG23 VAL A 92 9.431 -10.852 23.589 1.00 21.40 H ATOM 1159 N ASN A 93 9.849 -8.301 21.927 1.00 13.21 N ATOM 1160 CA ASN A 93 9.248 -7.912 20.646 1.00 13.69 C ATOM 1161 C ASN A 93 9.614 -8.976 19.591 1.00 13.08 C ATOM 1162 O ASN A 93 10.361 -8.709 18.659 1.00 13.49 O ATOM 1163 CB ASN A 93 9.734 -6.502 20.242 1.00 11.38 C ATOM 1164 CG ASN A 93 9.196 -6.012 18.982 1.00 13.32 C ATOM 1165 OD1 ASN A 93 8.260 -6.553 18.399 1.00 11.66 O ATOM 1166 ND2 ASN A 93 9.797 -4.955 18.492 1.00 13.35 N ATOM 1167 H ASN A 93 10.629 -8.649 21.826 1.00 15.85 H ATOM 1168 HA ASN A 93 8.281 -7.900 20.718 1.00 16.43 H ATOM 1169 HB2 ASN A 93 9.473 -5.876 20.935 1.00 13.66 H ATOM 1170 HB3 ASN A 93 10.700 -6.521 20.159 1.00 13.66 H ATOM 1171 HD21 ASN A 93 9.530 -4.613 17.750 1.00 16.02 H ATOM 1172 HD22 ASN A 93 10.460 -4.604 18.914 1.00 16.02 H ATOM 1173 N ALA A 94 9.016 -10.163 19.723 1.00 13.40 N ATOM 1174 CA ALA A 94 9.417 -11.269 18.835 1.00 12.41 C ATOM 1175 C ALA A 94 8.997 -11.050 17.380 1.00 14.61 C ATOM 1176 O ALA A 94 9.629 -11.603 16.491 1.00 14.88 O ATOM 1177 CB ALA A 94 8.952 -12.597 19.393 1.00 14.56 C ATOM 1178 H ALA A 94 8.400 -10.352 20.293 1.00 16.08 H ATOM 1179 HA ALA A 94 10.386 -11.311 18.815 1.00 14.90 H ATOM 1180 HB1 ALA A 94 9.187 -13.301 18.769 1.00 17.47 H ATOM 1181 HB2 ALA A 94 9.389 -12.751 20.246 1.00 17.47 H ATOM 1182 HB3 ALA A 94 7.990 -12.569 19.515 1.00 17.47 H ATOM 1183 N CYS A 95 7.934 -10.281 17.092 1.00 11.48 N ATOM 1184 CA CYS A 95 7.533 -9.980 15.744 1.00 11.35 C ATOM 1185 C CYS A 95 8.319 -8.850 15.156 1.00 10.77 C ATOM 1186 O CYS A 95 8.163 -8.567 13.988 1.00 12.23 O ATOM 1187 CB CYS A 95 6.031 -9.614 15.706 1.00 11.14 C ATOM 1188 SG CYS A 95 5.044 -11.085 16.114 1.00 10.97 S ATOM 1189 H CYS A 95 7.427 -9.921 17.687 1.00 13.77 H ATOM 1190 HA CYS A 95 7.667 -10.770 15.198 1.00 13.62 H ATOM 1191 HB2 CYS A 95 5.845 -8.919 16.356 1.00 13.37 H ATOM 1192 HB3 CYS A 95 5.790 -9.310 14.817 1.00 13.37 H ATOM 1193 N HIS A 96 9.181 -8.220 15.956 1.00 12.43 N ATOM 1194 CA HIS A 96 9.943 -7.047 15.519 1.00 12.76 C ATOM 1195 C HIS A 96 9.059 -6.031 14.804 1.00 11.82 C ATOM 1196 O HIS A 96 9.331 -5.578 13.720 1.00 13.01 O ATOM 1197 CB HIS A 96 11.255 -7.379 14.736 1.00 16.04 C ATOM 1198 CG HIS A 96 11.102 -8.325 13.585 1.00 16.64 C ATOM 1199 ND1 HIS A 96 10.674 -7.909 12.349 1.00 16.32 N ATOM 1200 CD2 HIS A 96 11.449 -9.631 13.436 1.00 16.64 C ATOM 1201 CE1 HIS A 96 10.683 -8.941 11.494 1.00 17.18 C ATOM 1202 NE2 HIS A 96 11.131 -10.002 12.145 1.00 18.09 N ATOM 1203 H HIS A 96 9.344 -8.456 16.766 1.00 14.91 H ATOM 1204 HA HIS A 96 10.254 -6.622 16.334 1.00 15.32 H ATOM 1205 HB2 HIS A 96 11.616 -6.551 14.382 1.00 19.25 H ATOM 1206 HB3 HIS A 96 11.887 -7.778 15.354 1.00 19.25 H ATOM 1207 HD2 HIS A 96 11.832 -10.175 14.086 1.00 19.97 H ATOM 1208 HE1 HIS A 96 10.422 -8.916 10.602 1.00 20.62 H ATOM 1209 HE2 HIS A 96 11.212 -10.793 11.817 1.00 21.71 H ATOM 1210 N LEU A 97 8.024 -5.610 15.530 1.00 11.70 N ATOM 1211 CA LEU A 97 7.136 -4.561 15.038 1.00 10.81 C ATOM 1212 C LEU A 97 6.739 -3.660 16.190 1.00 10.76 C ATOM 1213 O LEU A 97 6.632 -4.116 17.340 1.00 10.31 O ATOM 1214 CB LEU A 97 5.780 -5.155 14.558 1.00 13.73 C ATOM 1215 CG LEU A 97 5.826 -5.995 13.270 1.00 14.82 C ATOM 1216 CD1 LEU A 97 4.481 -6.681 13.138 1.00 14.61 C ATOM 1217 CD2 LEU A 97 6.091 -5.213 12.082 1.00 14.89 C ATOM 1218 H LEU A 97 7.818 -5.915 16.307 1.00 14.04 H ATOM 1219 HA LEU A 97 7.603 -4.080 14.336 1.00 12.98 H ATOM 1220 HB2 LEU A 97 5.436 -5.728 15.261 1.00 16.48 H ATOM 1221 HB3 LEU A 97 5.168 -4.420 14.400 1.00 16.48 H ATOM 1222 HG LEU A 97 6.556 -6.631 13.331 1.00 17.78 H ATOM 1223 HD11 LEU A 97 4.456 -7.171 12.301 1.00 17.54 H ATOM 1224 HD12 LEU A 97 4.364 -7.292 13.883 1.00 17.54 H ATOM 1225 HD13 LEU A 97 3.781 -6.010 13.148 1.00 17.54 H ATOM 1226 HD21 LEU A 97 6.056 -5.795 11.306 1.00 17.87 H ATOM 1227 HD22 LEU A 97 5.419 -4.518 12.004 1.00 17.87 H ATOM 1228 HD23 LEU A 97 6.972 -4.814 12.156 1.00 17.87 H ATOM 1229 N SER A 98 6.511 -2.380 15.857 1.00 9.75 N ATOM 1230 CA SER A 98 5.744 -1.555 16.768 1.00 8.88 C ATOM 1231 C SER A 98 4.341 -2.159 16.915 1.00 9.73 C ATOM 1232 O SER A 98 3.716 -2.612 15.928 1.00 9.81 O ATOM 1233 CB SER A 98 5.587 -0.140 16.230 1.00 9.22 C ATOM 1234 OG SER A 98 4.651 0.634 16.967 1.00 10.73 O ATOM 1235 H SER A 98 6.783 -1.992 15.139 1.00 11.70 H ATOM 1236 HA SER A 98 6.203 -1.513 17.622 1.00 10.66 H ATOM 1237 HB2 SER A 98 6.450 0.301 16.271 1.00 11.06 H ATOM 1238 HB3 SER A 98 5.285 -0.194 15.310 1.00 11.06 H ATOM 1239 HG SER A 98 4.885 0.678 17.773 1.00 12.88 H ATOM 1240 N CYS A 99 3.766 -2.084 18.109 1.00 9.95 N ATOM 1241 CA CYS A 99 2.404 -2.543 18.233 1.00 9.99 C ATOM 1242 C CYS A 99 1.465 -1.722 17.370 1.00 10.66 C ATOM 1243 O CYS A 99 0.413 -2.236 17.032 1.00 9.93 O ATOM 1244 CB CYS A 99 1.979 -2.499 19.698 1.00 11.41 C ATOM 1245 SG CYS A 99 2.944 -3.660 20.799 1.00 10.48 S ATOM 1246 H CYS A 99 4.131 -1.784 18.827 1.00 11.94 H ATOM 1247 HA CYS A 99 2.346 -3.465 17.935 1.00 11.99 H ATOM 1248 HB2 CYS A 99 2.108 -1.598 20.033 1.00 13.69 H ATOM 1249 HB3 CYS A 99 1.042 -2.745 19.758 1.00 13.69 H ATOM 1250 N SER A 100 1.804 -0.487 17.030 1.00 10.50 N ATOM 1251 CA SER A 100 1.035 0.322 16.101 1.00 10.17 C ATOM 1252 C SER A 100 0.754 -0.416 14.789 1.00 10.06 C ATOM 1253 O SER A 100 -0.283 -0.213 14.167 1.00 9.66 O ATOM 1254 CB SER A 100 1.803 1.640 15.808 1.00 12.00 C ATOM 1255 OG SER A 100 1.106 2.473 14.856 0.81 10.66 O ATOM 1256 H SER A 100 2.499 -0.080 17.333 1.00 12.61 H ATOM 1257 HA SER A 100 0.181 0.532 16.511 1.00 12.21 H ATOM 1258 HB2 SER A 100 1.904 2.132 16.638 1.00 14.40 H ATOM 1259 HB3 SER A 100 2.676 1.417 15.447 1.00 14.40 H ATOM 1260 HG SER A 100 1.064 2.086 14.112 0.53 12.79 H ATOM 1261 N ALA A 101 1.708 -1.217 14.346 1.00 9.31 N ATOM 1262 CA ALA A 101 1.563 -1.936 13.083 1.00 8.37 C ATOM 1263 C ALA A 101 0.407 -2.911 13.149 1.00 9.03 C ATOM 1264 O ALA A 101 -0.143 -3.272 12.092 1.00 9.60 O ATOM 1265 CB ALA A 101 2.834 -2.670 12.783 1.00 9.66 C ATOM 1266 H ALA A 101 2.451 -1.365 14.754 1.00 11.18 H ATOM 1267 HA ALA A 101 1.398 -1.309 12.361 1.00 10.05 H ATOM 1268 HB1 ALA A 101 2.746 -3.115 11.925 1.00 11.59 H ATOM 1269 HB2 ALA A 101 3.566 -2.035 12.753 1.00 11.59 H ATOM 1270 HB3 ALA A 101 2.992 -3.325 13.480 1.00 11.59 H ATOM 1271 N LEU A 102 -0.024 -3.288 14.336 1.00 9.36 N ATOM 1272 CA LEU A 102 -1.079 -4.229 14.554 1.00 8.52 C ATOM 1273 C LEU A 102 -2.429 -3.548 14.663 1.00 9.70 C ATOM 1274 O LEU A 102 -3.447 -4.195 14.964 1.00 10.03 O ATOM 1275 CB LEU A 102 -0.797 -5.085 15.785 1.00 9.25 C ATOM 1276 CG LEU A 102 0.459 -5.872 15.763 1.00 10.45 C ATOM 1277 CD1 LEU A 102 0.653 -6.706 17.034 1.00 12.10 C ATOM 1278 CD2 LEU A 102 0.572 -6.764 14.578 1.00 13.25 C ATOM 1279 H LEU A 102 0.305 -2.988 15.072 1.00 11.23 H ATOM 1280 HA LEU A 102 -1.115 -4.841 13.802 1.00 10.22 H ATOM 1281 HB2 LEU A 102 -0.754 -4.498 16.557 1.00 11.10 H ATOM 1282 HB3 LEU A 102 -1.528 -5.714 15.888 1.00 11.10 H ATOM 1283 HG LEU A 102 1.168 -5.212 15.712 1.00 12.54 H ATOM 1284 HD11 LEU A 102 1.511 -7.156 16.988 1.00 14.53 H ATOM 1285 HD12 LEU A 102 0.629 -6.118 17.805 1.00 14.53 H ATOM 1286 HD13 LEU A 102 -0.060 -7.360 17.094 1.00 14.53 H ATOM 1287 HD21 LEU A 102 1.342 -7.342 14.691 1.00 15.91 H ATOM 1288 HD22 LEU A 102 -0.235 -7.297 14.506 1.00 15.91 H ATOM 1289 HD23 LEU A 102 0.681 -6.219 13.783 1.00 15.91 H ATOM 1290 N LEU A 103 -2.484 -2.232 14.373 1.00 7.98 N ATOM 1291 CA LEU A 103 -3.720 -1.460 14.417 1.00 9.82 C ATOM 1292 C LEU A 103 -4.066 -0.912 13.033 1.00 8.80 C ATOM 1293 O LEU A 103 -4.975 -0.078 12.915 1.00 8.91 O ATOM 1294 CB LEU A 103 -3.608 -0.324 15.446 1.00 9.08 C ATOM 1295 CG LEU A 103 -3.359 -0.848 16.853 1.00 9.07 C ATOM 1296 CD1 LEU A 103 -3.186 0.354 17.772 1.00 8.77 C ATOM 1297 CD2 LEU A 103 -4.503 -1.750 17.354 1.00 10.05 C ATOM 1298 H LEU A 103 -1.800 -1.765 14.145 1.00 9.58 H ATOM 1299 HA LEU A 103 -4.451 -2.026 14.711 1.00 11.79 H ATOM 1300 HB2 LEU A 103 -2.869 0.254 15.202 1.00 10.90 H ATOM 1301 HB3 LEU A 103 -4.436 0.181 15.453 1.00 10.90 H ATOM 1302 HG LEU A 103 -2.562 -1.401 16.859 1.00 10.88 H ATOM 1303 HD11 LEU A 103 -2.987 0.041 18.668 1.00 10.52 H ATOM 1304 HD12 LEU A 103 -2.455 0.901 17.443 1.00 10.52 H ATOM 1305 HD13 LEU A 103 -4.008 0.869 17.777 1.00 10.52 H ATOM 1306 HD21 LEU A 103 -4.362 -1.948 18.293 1.00 12.06 H ATOM 1307 HD22 LEU A 103 -5.347 -1.285 17.237 1.00 12.06 H ATOM 1308 HD23 LEU A 103 -4.505 -2.573 16.839 1.00 12.06 H ATOM 1309 N GLN A 104 -3.341 -1.342 12.010 1.00 8.46 N ATOM 1310 CA GLN A 104 -3.631 -0.932 10.634 1.00 10.12 C ATOM 1311 C GLN A 104 -4.868 -1.598 10.069 1.00 8.88 C ATOM 1312 O GLN A 104 -5.245 -2.728 10.406 1.00 9.94 O ATOM 1313 CB GLN A 104 -2.452 -1.246 9.731 1.00 8.54 C ATOM 1314 CG GLN A 104 -1.143 -0.503 10.051 1.00 11.27 C ATOM 1315 CD GLN A 104 -0.016 -0.997 9.180 1.00 11.19 C ATOM 1316 OE1 GLN A 104 0.175 -0.488 8.079 1.00 12.06 O ATOM 1317 NE2 GLN A 104 0.721 -1.932 9.647 1.00 11.25 N ATOM 1318 H GLN A 104 -2.670 -1.875 12.080 1.00 10.15 H ATOM 1319 HA GLN A 104 -3.795 0.024 10.644 1.00 12.14 H ATOM 1320 HB2 GLN A 104 -2.266 -2.196 9.794 1.00 10.25 H ATOM 1321 HB3 GLN A 104 -2.698 -1.016 8.821 1.00 10.25 H ATOM 1322 HG2 GLN A 104 -1.262 0.446 9.891 1.00 13.52 H ATOM 1323 HG3 GLN A 104 -0.904 -0.655 10.979 1.00 13.52 H ATOM 1324 HE21 GLN A 104 0.564 -2.254 10.429 1.00 13.50 H ATOM 1325 HE22 GLN A 104 1.373 -2.240 9.178 1.00 13.50 H ATOM 1326 N ASP A 105 -5.490 -0.954 9.090 1.00 10.21 N ATOM 1327 CA ASP A 105 -6.575 -1.600 8.337 1.00 10.20 C ATOM 1328 C ASP A 105 -6.009 -2.724 7.482 1.00 9.69 C ATOM 1329 O ASP A 105 -6.666 -3.746 7.284 1.00 9.99 O ATOM 1330 CB ASP A 105 -7.266 -0.611 7.396 1.00 9.02 C ATOM 1331 CG ASP A 105 -8.354 0.239 8.056 1.00 11.89 C ATOM 1332 OD1 ASP A 105 -8.554 0.167 9.281 1.00 10.87 O ATOM 1333 OD2 ASP A 105 -9.008 0.990 7.267 1.00 11.92 O ATOM 1334 H ASP A 105 -5.311 -0.151 8.839 1.00 12.25 H ATOM 1335 HA ASP A 105 -7.227 -1.930 8.975 1.00 12.24 H ATOM 1336 HB2 ASP A 105 -6.597 -0.005 7.040 1.00 10.83 H ATOM 1337 HB3 ASP A 105 -7.681 -1.109 6.675 1.00 10.83 H ATOM 1338 N ASN A 106 -4.790 -2.527 6.939 1.00 9.57 N ATOM 1339 CA ASN A 106 -4.099 -3.557 6.181 1.00 10.31 C ATOM 1340 C ASN A 106 -3.524 -4.537 7.188 1.00 10.00 C ATOM 1341 O ASN A 106 -2.699 -4.157 8.005 1.00 9.83 O ATOM 1342 CB ASN A 106 -3.031 -2.938 5.311 1.00 12.45 C ATOM 1343 CG ASN A 106 -2.286 -4.016 4.469 1.00 12.78 C ATOM 1344 OD1 ASN A 106 -1.713 -4.851 4.941 1.00 13.71 O ATOM 1345 ND2 ASN A 106 -2.564 -4.062 3.153 1.00 17.56 N ATOM 1346 H ASN A 106 -4.348 -1.792 7.003 1.00 11.48 H ATOM 1347 HA ASN A 106 -4.700 -4.030 5.585 1.00 12.37 H ATOM 1348 HB2 ASN A 106 -3.441 -2.304 4.702 1.00 14.94 H ATOM 1349 HB3 ASN A 106 -2.382 -2.486 5.872 1.00 14.94 H ATOM 1350 HD21 ASN A 106 -3.131 -3.511 2.814 1.00 21.08 H ATOM 1351 HD22 ASN A 106 -2.175 -4.642 2.651 1.00 21.08 H ATOM 1352 N ILE A 107 -3.918 -5.808 7.126 1.00 8.62 N ATOM 1353 CA ILE A 107 -3.516 -6.809 8.113 1.00 9.62 C ATOM 1354 C ILE A 107 -2.253 -7.566 7.752 1.00 8.55 C ATOM 1355 O ILE A 107 -1.930 -8.559 8.436 1.00 10.02 O ATOM 1356 CB ILE A 107 -4.700 -7.754 8.425 1.00 10.36 C ATOM 1357 CG1 ILE A 107 -5.051 -8.644 7.235 1.00 9.43 C ATOM 1358 CG2 ILE A 107 -5.910 -6.937 8.974 1.00 10.57 C ATOM 1359 CD1 ILE A 107 -6.056 -9.739 7.682 1.00 12.80 C ATOM 1360 H ILE A 107 -4.429 -6.122 6.509 1.00 10.35 H ATOM 1361 HA ILE A 107 -3.261 -6.323 8.913 1.00 11.54 H ATOM 1362 HB ILE A 107 -4.429 -8.369 9.125 1.00 12.44 H ATOM 1363 HG12 ILE A 107 -5.460 -8.110 6.536 1.00 11.31 H ATOM 1364 HG13 ILE A 107 -4.249 -9.073 6.898 1.00 11.31 H ATOM 1365 HG21 ILE A 107 -6.579 -7.552 9.313 1.00 12.68 H ATOM 1366 HG22 ILE A 107 -5.601 -6.358 9.689 1.00 12.68 H ATOM 1367 HG23 ILE A 107 -6.283 -6.404 8.255 1.00 12.68 H ATOM 1368 HD11 ILE A 107 -6.171 -10.376 6.960 1.00 15.36 H ATOM 1369 HD12 ILE A 107 -5.705 -10.188 8.467 1.00 15.36 H ATOM 1370 HD13 ILE A 107 -6.906 -9.321 7.892 1.00 15.36 H ATOM 1371 N ALA A 108 -1.539 -7.188 6.709 1.00 9.51 N ATOM 1372 CA ALA A 108 -0.323 -7.930 6.370 1.00 9.45 C ATOM 1373 C ALA A 108 0.643 -8.051 7.551 1.00 8.41 C ATOM 1374 O ALA A 108 1.161 -9.149 7.827 1.00 8.70 O ATOM 1375 CB ALA A 108 0.353 -7.301 5.169 1.00 10.19 C ATOM 1376 H ALA A 108 -1.723 -6.526 6.192 1.00 11.41 H ATOM 1377 HA ALA A 108 -0.583 -8.834 6.131 1.00 11.35 H ATOM 1378 HB1 ALA A 108 1.124 -7.835 4.925 1.00 12.24 H ATOM 1379 HB2 ALA A 108 -0.277 -7.271 4.431 1.00 12.24 H ATOM 1380 HB3 ALA A 108 0.633 -6.401 5.400 1.00 12.24 H ATOM 1381 N ASP A 109 0.916 -6.986 8.241 1.00 9.78 N ATOM 1382 CA ASP A 109 1.867 -7.046 9.361 1.00 10.20 C ATOM 1383 C ASP A 109 1.320 -7.904 10.501 1.00 8.65 C ATOM 1384 O ASP A 109 2.080 -8.681 11.122 1.00 9.23 O ATOM 1385 CB ASP A 109 2.241 -5.652 9.882 1.00 9.57 C ATOM 1386 CG ASP A 109 3.109 -4.847 8.927 1.00 15.18 C ATOM 1387 OD1 ASP A 109 3.913 -5.393 8.196 1.00 16.63 O ATOM 1388 OD2 ASP A 109 2.997 -3.609 8.915 1.00 15.92 O ATOM 1389 H ASP A 109 0.578 -6.208 8.101 1.00 11.73 H ATOM 1390 HA ASP A 109 2.683 -7.446 9.023 1.00 12.24 H ATOM 1391 HB2 ASP A 109 1.427 -5.148 10.036 1.00 11.48 H ATOM 1392 HB3 ASP A 109 2.732 -5.752 10.713 1.00 11.48 H ATOM 1393 N ALA A 110 0.022 -7.779 10.825 1.00 9.24 N ATOM 1394 CA ALA A 110 -0.590 -8.603 11.829 1.00 9.17 C ATOM 1395 C ALA A 110 -0.529 -10.075 11.471 1.00 9.17 C ATOM 1396 O ALA A 110 -0.305 -10.915 12.366 1.00 9.72 O ATOM 1397 CB ALA A 110 -2.014 -8.125 12.060 1.00 10.40 C ATOM 1398 H ALA A 110 -0.516 -7.213 10.464 1.00 11.08 H ATOM 1399 HA ALA A 110 -0.106 -8.513 12.664 1.00 11.00 H ATOM 1400 HB1 ALA A 110 -2.424 -8.672 12.748 1.00 12.49 H ATOM 1401 HB2 ALA A 110 -1.994 -7.197 12.343 1.00 12.49 H ATOM 1402 HB3 ALA A 110 -2.513 -8.206 11.232 1.00 12.49 H ATOM 1403 N VAL A 111 -0.739 -10.422 10.182 1.00 8.70 N ATOM 1404 CA VAL A 111 -0.615 -11.804 9.725 1.00 8.89 C ATOM 1405 C VAL A 111 0.822 -12.284 9.865 1.00 9.74 C ATOM 1406 O VAL A 111 1.062 -13.413 10.309 1.00 9.50 O ATOM 1407 CB VAL A 111 -1.136 -11.925 8.269 1.00 8.70 C ATOM 1408 CG1 VAL A 111 -0.590 -13.173 7.602 1.00 11.78 C ATOM 1409 CG2 VAL A 111 -2.660 -11.909 8.326 1.00 10.83 C ATOM 1410 H VAL A 111 -0.954 -9.870 9.559 1.00 10.44 H ATOM 1411 HA VAL A 111 -1.165 -12.374 10.286 1.00 10.67 H ATOM 1412 HB VAL A 111 -0.831 -11.185 7.721 1.00 10.44 H ATOM 1413 HG11 VAL A 111 -1.111 -13.358 6.805 1.00 14.14 H ATOM 1414 HG12 VAL A 111 0.338 -13.024 7.364 1.00 14.14 H ATOM 1415 HG13 VAL A 111 -0.658 -13.917 8.221 1.00 14.14 H ATOM 1416 HG21 VAL A 111 -3.010 -11.941 7.423 1.00 13.00 H ATOM 1417 HG22 VAL A 111 -2.965 -12.683 8.826 1.00 13.00 H ATOM 1418 HG23 VAL A 111 -2.951 -11.095 8.766 1.00 13.00 H ATOM 1419 N ALA A 112 1.806 -11.474 9.483 1.00 9.00 N ATOM 1420 CA ALA A 112 3.208 -11.844 9.662 1.00 10.85 C ATOM 1421 C ALA A 112 3.512 -12.108 11.122 1.00 9.56 C ATOM 1422 O ALA A 112 4.165 -13.122 11.477 1.00 9.49 O ATOM 1423 CB ALA A 112 4.145 -10.757 9.113 1.00 10.85 C ATOM 1424 H ALA A 112 1.690 -10.704 9.116 1.00 10.81 H ATOM 1425 HA ALA A 112 3.375 -12.653 9.154 1.00 13.02 H ATOM 1426 HB1 ALA A 112 5.065 -11.025 9.268 1.00 13.03 H ATOM 1427 HB2 ALA A 112 3.986 -10.654 8.162 1.00 13.03 H ATOM 1428 HB3 ALA A 112 3.963 -9.922 9.571 1.00 13.03 H ATOM 1429 N CYS A 113 2.920 -11.335 12.018 1.00 9.07 N ATOM 1430 CA CYS A 113 3.143 -11.557 13.430 1.00 9.79 C ATOM 1431 C CYS A 113 2.414 -12.800 13.931 1.00 9.18 C ATOM 1432 O CYS A 113 2.979 -13.569 14.745 1.00 9.46 O ATOM 1433 CB CYS A 113 2.683 -10.312 14.187 1.00 9.93 C ATOM 1434 SG CYS A 113 3.155 -10.340 15.976 1.00 10.00 S ATOM 1435 H CYS A 113 2.391 -10.683 11.835 1.00 10.88 H ATOM 1436 HA CYS A 113 4.088 -11.701 13.595 1.00 11.75 H ATOM 1437 HB2 CYS A 113 3.089 -9.529 13.783 1.00 11.92 H ATOM 1438 HB3 CYS A 113 1.716 -10.249 14.133 1.00 11.92 H ATOM 1439 N ALA A 114 1.158 -13.002 13.503 1.00 9.17 N ATOM 1440 CA ALA A 114 0.453 -14.230 13.860 1.00 8.24 C ATOM 1441 C ALA A 114 1.248 -15.445 13.412 1.00 8.32 C ATOM 1442 O ALA A 114 1.256 -16.493 14.096 1.00 9.53 O ATOM 1443 CB ALA A 114 -0.940 -14.211 13.243 1.00 9.48 C ATOM 1444 H ALA A 114 0.706 -12.454 13.017 1.00 11.00 H ATOM 1445 HA ALA A 114 0.344 -14.287 14.822 1.00 9.89 H ATOM 1446 HB1 ALA A 114 -1.411 -15.019 13.502 1.00 11.38 H ATOM 1447 HB2 ALA A 114 -1.418 -13.431 13.565 1.00 11.38 H ATOM 1448 HB3 ALA A 114 -0.857 -14.173 12.277 1.00 11.38 H ATOM 1449 N LYS A 115 1.809 -15.410 12.197 1.00 8.30 N ATOM 1450 CA LYS A 115 2.633 -16.536 11.737 1.00 10.02 C ATOM 1451 C LYS A 115 3.850 -16.742 12.664 1.00 10.24 C ATOM 1452 O LYS A 115 4.203 -17.896 12.978 1.00 11.29 O ATOM 1453 CB LYS A 115 3.129 -16.328 10.298 1.00 10.22 C ATOM 1454 CG LYS A 115 2.035 -16.387 9.222 1.00 9.36 C ATOM 1455 CD LYS A 115 2.563 -16.072 7.845 1.00 11.87 C ATOM 1456 CE LYS A 115 1.462 -16.146 6.785 1.00 10.41 C ATOM 1457 NZ LYS A 115 1.978 -15.674 5.470 1.00 11.02 N ATOM 1458 H LYS A 115 1.730 -14.765 11.634 1.00 9.96 H ATOM 1459 HA LYS A 115 2.072 -17.327 11.747 1.00 12.03 H ATOM 1460 HB2 LYS A 115 3.548 -15.455 10.240 1.00 12.27 H ATOM 1461 HB3 LYS A 115 3.777 -17.021 10.093 1.00 12.27 H ATOM 1462 HG2 LYS A 115 1.656 -17.281 9.203 1.00 11.24 H ATOM 1463 HG3 LYS A 115 1.345 -15.740 9.435 1.00 11.24 H ATOM 1464 HD2 LYS A 115 2.929 -15.175 7.840 1.00 14.25 H ATOM 1465 HD3 LYS A 115 3.252 -16.714 7.612 1.00 14.25 H ATOM 1466 HE2 LYS A 115 1.163 -17.064 6.690 1.00 12.50 H ATOM 1467 HE3 LYS A 115 0.719 -15.581 7.048 1.00 12.50 H ATOM 1468 HZ1 LYS A 115 1.330 -15.704 4.860 1.00 13.22 H ATOM 1469 HZ2 LYS A 115 2.271 -14.837 5.540 1.00 13.22 H ATOM 1470 HZ3 LYS A 115 2.650 -16.193 5.202 1.00 13.22 H ATOM 1471 N ARG A 116 4.500 -15.672 13.102 1.00 9.48 N ATOM 1472 CA ARG A 116 5.583 -15.764 14.084 1.00 9.67 C ATOM 1473 C ARG A 116 5.126 -16.411 15.384 1.00 9.63 C ATOM 1474 O ARG A 116 5.817 -17.284 15.937 1.00 10.22 O ATOM 1475 CB ARG A 116 6.168 -14.368 14.317 1.00 9.57 C ATOM 1476 CG ARG A 116 7.154 -14.329 15.428 1.00 11.48 C ATOM 1477 CD ARG A 116 8.385 -15.202 15.161 1.00 13.07 C ATOM 1478 NE ARG A 116 9.382 -15.219 16.234 1.00 13.10 N ATOM 1479 CZ ARG A 116 9.345 -16.024 17.260 1.00 14.69 C ATOM 1480 NH1 ARG A 116 8.366 -16.909 17.378 1.00 14.97 N ATOM 1481 NH2 ARG A 116 10.311 -16.026 18.174 1.00 15.90 N ATOM 1482 H ARG A 116 4.336 -14.868 12.847 1.00 11.38 H ATOM 1483 HA ARG A 116 6.286 -16.333 13.733 1.00 11.61 H ATOM 1484 HB2 ARG A 116 6.616 -14.076 13.509 1.00 11.49 H ATOM 1485 HB3 ARG A 116 5.446 -13.758 14.536 1.00 11.49 H ATOM 1486 HG2 ARG A 116 7.456 -13.415 15.551 1.00 13.78 H ATOM 1487 HG3 ARG A 116 6.729 -14.650 16.239 1.00 13.78 H ATOM 1488 HD2 ARG A 116 8.089 -16.116 15.027 1.00 15.69 H ATOM 1489 HD3 ARG A 116 8.825 -14.875 14.362 1.00 15.69 H ATOM 1490 HE ARG A 116 10.034 -14.661 16.184 1.00 15.72 H ATOM 1491 HH11 ARG A 116 7.752 -16.953 16.778 1.00 17.96 H ATOM 1492 HH12 ARG A 116 8.345 -17.438 18.055 1.00 17.96 H ATOM 1493 HH21 ARG A 116 10.978 -15.488 18.096 1.00 19.09 H ATOM 1494 HH22 ARG A 116 10.269 -16.564 18.843 1.00 19.09 H ATOM 1495 N VAL A 117 3.955 -16.039 15.895 1.00 10.04 N ATOM 1496 CA VAL A 117 3.420 -16.654 17.078 1.00 9.69 C ATOM 1497 C VAL A 117 3.392 -18.162 16.922 1.00 9.91 C ATOM 1498 O VAL A 117 3.823 -18.906 17.815 1.00 10.36 O ATOM 1499 CB VAL A 117 2.025 -16.100 17.418 1.00 9.31 C ATOM 1500 CG1 VAL A 117 1.397 -16.888 18.576 1.00 10.50 C ATOM 1501 CG2 VAL A 117 2.113 -14.631 17.763 1.00 10.65 C ATOM 1502 H VAL A 117 3.453 -15.424 15.564 1.00 12.05 H ATOM 1503 HA VAL A 117 4.007 -16.433 17.818 1.00 11.63 H ATOM 1504 HB VAL A 117 1.451 -16.198 16.642 1.00 11.18 H ATOM 1505 HG11 VAL A 117 0.631 -16.398 18.913 1.00 12.60 H ATOM 1506 HG12 VAL A 117 1.116 -17.758 18.250 1.00 12.60 H ATOM 1507 HG13 VAL A 117 2.057 -16.996 19.279 1.00 12.60 H ATOM 1508 HG21 VAL A 117 1.217 -14.284 17.899 1.00 12.78 H ATOM 1509 HG22 VAL A 117 2.634 -14.528 18.575 1.00 12.78 H ATOM 1510 HG23 VAL A 117 2.543 -14.160 17.032 1.00 12.78 H ATOM 1511 N VAL A 118 2.854 -18.662 15.801 1.00 9.55 N ATOM 1512 CA VAL A 118 2.617 -20.112 15.631 1.00 9.79 C ATOM 1513 C VAL A 118 3.842 -20.851 15.156 1.00 12.11 C ATOM 1514 O VAL A 118 3.770 -22.087 15.000 1.00 14.05 O ATOM 1515 CB VAL A 118 1.296 -20.341 14.852 1.00 10.63 C ATOM 1516 CG1 VAL A 118 0.145 -19.666 15.474 1.00 10.53 C ATOM 1517 CG2 VAL A 118 1.524 -20.050 13.364 1.00 10.71 C ATOM 1518 H VAL A 118 2.618 -18.187 15.124 1.00 11.47 H ATOM 1519 HA VAL A 118 2.450 -20.557 16.477 1.00 11.75 H ATOM 1520 HB VAL A 118 1.034 -21.273 14.902 1.00 12.75 H ATOM 1521 HG11 VAL A 118 -0.668 -19.962 15.037 1.00 12.64 H ATOM 1522 HG12 VAL A 118 0.117 -19.893 16.417 1.00 12.64 H ATOM 1523 HG13 VAL A 118 0.247 -18.707 15.368 1.00 12.64 H ATOM 1524 HG21 VAL A 118 0.690 -20.176 12.886 1.00 12.85 H ATOM 1525 HG22 VAL A 118 1.828 -19.134 13.264 1.00 12.85 H ATOM 1526 HG23 VAL A 118 2.196 -20.661 13.022 1.00 12.85 H ATOM 1527 N ARG A 119 4.973 -20.205 14.973 1.00 12.54 N ATOM 1528 CA ARG A 119 6.244 -20.925 14.827 1.00 12.51 C ATOM 1529 C ARG A 119 6.767 -21.379 16.171 1.00 15.43 C ATOM 1530 O ARG A 119 7.714 -22.172 16.221 1.00 18.07 O ATOM 1531 CB ARG A 119 7.272 -20.040 14.055 1.00 11.66 C ATOM 1532 CG ARG A 119 6.992 -19.854 12.569 1.00 12.03 C ATOM 1533 CD ARG A 119 8.091 -19.344 11.805 1.00 12.02 C ATOM 1534 NE ARG A 119 8.386 -17.913 11.980 1.00 13.89 N ATOM 1535 CZ ARG A 119 7.792 -16.916 11.343 1.00 11.69 C ATOM 1536 NH1 ARG A 119 6.804 -17.123 10.542 1.00 14.71 N ATOM 1537 NH2 ARG A 119 8.270 -15.698 11.487 1.00 15.09 N ATOM 1538 H ARG A 119 5.043 -19.349 14.927 1.00 15.05 H ATOM 1539 HA ARG A 119 6.134 -21.720 14.282 1.00 15.01 H ATOM 1540 HB2 ARG A 119 7.280 -19.159 14.460 1.00 14.00 H ATOM 1541 HB3 ARG A 119 8.148 -20.450 14.135 1.00 14.00 H ATOM 1542 HG2 ARG A 119 6.752 -20.715 12.191 1.00 14.44 H ATOM 1543 HG3 ARG A 119 6.256 -19.231 12.470 1.00 14.44 H ATOM 1544 HD2 ARG A 119 8.889 -19.833 12.057 1.00 14.43 H ATOM 1545 HD3 ARG A 119 7.898 -19.483 10.865 1.00 14.43 H ATOM 1546 HE ARG A 119 8.999 -17.706 12.547 1.00 16.67 H ATOM 1547 HH11 ARG A 119 6.517 -17.923 10.411 1.00 17.66 H ATOM 1548 HH12 ARG A 119 6.432 -16.461 10.138 1.00 17.66 H ATOM 1549 HH21 ARG A 119 8.956 -15.562 11.988 1.00 18.11 H ATOM 1550 HH22 ARG A 119 7.897 -15.039 11.081 1.00 18.11 H ATOM 1551 N ASP A 120 6.216 -20.904 17.240 1.00 12.51 N ATOM 1552 CA ASP A 120 6.600 -21.423 18.551 1.00 11.52 C ATOM 1553 C ASP A 120 5.774 -22.657 18.938 1.00 12.97 C ATOM 1554 O ASP A 120 4.784 -23.008 18.298 1.00 14.38 O ATOM 1555 CB ASP A 120 6.444 -20.335 19.615 1.00 12.81 C ATOM 1556 CG ASP A 120 7.629 -19.362 19.609 1.00 13.64 C ATOM 1557 OD1 ASP A 120 8.552 -19.513 18.823 1.00 19.70 O ATOM 1558 OD2 ASP A 120 7.677 -18.456 20.398 1.00 20.12 O ATOM 1559 H ASP A 120 5.619 -20.285 17.254 1.00 15.01 H ATOM 1560 HA ASP A 120 7.531 -21.693 18.519 1.00 13.83 H ATOM 1561 HB2 ASP A 120 5.635 -19.830 19.440 1.00 15.37 H ATOM 1562 HB3 ASP A 120 6.394 -20.749 20.491 1.00 15.37 H ATOM 1563 N PRO A 121 6.247 -23.409 19.920 1.00 13.74 N ATOM 1564 CA PRO A 121 5.666 -24.730 20.205 1.00 13.99 C ATOM 1565 C PRO A 121 4.164 -24.815 20.377 1.00 11.78 C ATOM 1566 O PRO A 121 3.528 -25.743 19.864 1.00 13.07 O ATOM 1567 CB PRO A 121 6.401 -25.135 21.495 1.00 15.60 C ATOM 1568 CG PRO A 121 7.715 -24.529 21.368 1.00 17.76 C ATOM 1569 CD PRO A 121 7.455 -23.164 20.727 1.00 14.86 C ATOM 1570 HA PRO A 121 5.895 -25.310 19.462 1.00 16.79 H ATOM 1571 HB2 PRO A 121 5.930 -24.788 22.268 1.00 18.73 H ATOM 1572 HB3 PRO A 121 6.466 -26.101 21.551 1.00 18.73 H ATOM 1573 HG2 PRO A 121 8.120 -24.430 22.243 1.00 21.31 H ATOM 1574 HG3 PRO A 121 8.279 -25.077 20.801 1.00 21.31 H ATOM 1575 HD2 PRO A 121 7.291 -22.488 21.403 1.00 17.83 H ATOM 1576 HD3 PRO A 121 8.200 -22.897 20.165 1.00 17.83 H ATOM 1577 N GLN A 122 3.553 -23.883 21.050 1.00 11.85 N ATOM 1578 CA GLN A 122 2.118 -23.974 21.287 1.00 11.58 C ATOM 1579 C GLN A 122 1.286 -23.770 20.034 1.00 12.78 C ATOM 1580 O GLN A 122 0.097 -24.109 20.014 1.00 11.76 O ATOM 1581 CB GLN A 122 1.716 -22.824 22.228 1.00 17.30 C ATOM 1582 CG GLN A 122 2.013 -23.037 23.693 1.00 20.46 C ATOM 1583 CD GLN A 122 1.349 -21.887 24.517 1.00 19.77 C ATOM 1584 OE1 GLN A 122 0.311 -22.087 25.127 1.00 28.97 O ATOM 1585 NE2 GLN A 122 1.945 -20.680 24.466 1.00 28.39 N ATOM 1586 H GLN A 122 3.932 -23.187 21.384 1.00 14.22 H ATOM 1587 HA GLN A 122 1.935 -24.850 21.661 1.00 13.90 H ATOM 1588 HB2 GLN A 122 2.193 -22.026 21.952 1.00 20.76 H ATOM 1589 HB3 GLN A 122 0.760 -22.685 22.146 1.00 20.76 H ATOM 1590 HG2 GLN A 122 1.647 -23.887 23.985 1.00 24.56 H ATOM 1591 HG3 GLN A 122 2.972 -23.020 23.842 1.00 24.56 H ATOM 1592 HE21 GLN A 122 2.657 -20.572 23.995 1.00 34.06 H ATOM 1593 HE22 GLN A 122 1.614 -20.018 24.904 1.00 34.06 H ATOM 1594 N GLY A 123 1.830 -23.167 19.002 1.00 11.44 N ATOM 1595 CA GLY A 123 1.017 -22.964 17.824 1.00 11.54 C ATOM 1596 C GLY A 123 -0.160 -22.068 18.184 1.00 12.67 C ATOM 1597 O GLY A 123 -0.013 -21.114 18.899 1.00 12.65 O ATOM 1598 H GLY A 123 2.638 -22.876 18.957 1.00 13.73 H ATOM 1599 HA2 GLY A 123 1.539 -22.540 17.126 1.00 13.85 H ATOM 1600 HA3 GLY A 123 0.683 -23.814 17.497 1.00 13.85 H ATOM 1601 N ILE A 124 -1.303 -22.373 17.580 1.00 14.00 N ATOM 1602 CA ILE A 124 -2.498 -21.508 17.787 1.00 13.78 C ATOM 1603 C ILE A 124 -2.982 -21.534 19.212 1.00 12.99 C ATOM 1604 O ILE A 124 -3.771 -20.705 19.591 1.00 13.89 O ATOM 1605 CB ILE A 124 -3.565 -21.978 16.775 1.00 16.41 C ATOM 1606 CG1 ILE A 124 -4.838 -21.145 16.516 1.00 24.60 C ATOM 1607 CG2 ILE A 124 -4.045 -23.322 17.065 1.00 16.71 C ATOM 1608 CD1 ILE A 124 -4.549 -19.930 15.939 1.00 22.60 C ATOM 1609 H ILE A 124 -1.426 -23.047 17.060 1.00 16.81 H ATOM 1610 HA ILE A 124 -2.288 -20.575 17.622 1.00 16.54 H ATOM 1611 HB ILE A 124 -3.022 -21.883 15.976 1.00 19.69 H ATOM 1612 HG12 ILE A 124 -5.422 -21.635 15.916 1.00 29.52 H ATOM 1613 HG13 ILE A 124 -5.289 -20.982 17.359 1.00 29.52 H ATOM 1614 HG21 ILE A 124 -4.618 -23.616 16.340 1.00 20.05 H ATOM 1615 HG22 ILE A 124 -3.284 -23.918 17.148 1.00 20.05 H ATOM 1616 HG23 ILE A 124 -4.544 -23.307 17.897 1.00 20.05 H ATOM 1617 HD11 ILE A 124 -5.380 -19.463 15.755 1.00 27.12 H ATOM 1618 HD12 ILE A 124 -4.007 -19.410 16.552 1.00 27.12 H ATOM 1619 HD13 ILE A 124 -4.064 -20.079 15.113 1.00 27.12 H ATOM 1620 N ARG A 125 -2.557 -22.530 20.009 1.00 11.84 N ATOM 1621 CA ARG A 125 -2.915 -22.548 21.411 1.00 11.69 C ATOM 1622 C ARG A 125 -2.342 -21.402 22.192 1.00 14.55 C ATOM 1623 O ARG A 125 -2.741 -21.200 23.337 1.00 15.07 O ATOM 1624 CB ARG A 125 -2.421 -23.892 22.001 1.00 11.98 C ATOM 1625 CG ARG A 125 -3.278 -25.036 21.616 1.00 13.07 C ATOM 1626 CD ARG A 125 -2.514 -26.429 21.636 1.00 16.93 C ATOM 1627 NE ARG A 125 -3.427 -27.583 21.556 1.00 15.42 N ATOM 1628 CZ ARG A 125 -4.014 -28.025 20.443 1.00 14.32 C ATOM 1629 NH1 ARG A 125 -3.782 -27.480 19.251 1.00 14.07 N ATOM 1630 NH2 ARG A 125 -4.838 -29.060 20.456 1.00 17.04 N ATOM 1631 H ARG A 125 -2.068 -23.190 19.754 1.00 14.21 H ATOM 1632 HA ARG A 125 -3.878 -22.483 21.504 1.00 14.03 H ATOM 1633 HB2 ARG A 125 -1.523 -24.067 21.678 1.00 14.37 H ATOM 1634 HB3 ARG A 125 -2.419 -23.830 22.969 1.00 14.37 H ATOM 1635 HG2 ARG A 125 -4.021 -25.096 22.237 1.00 15.69 H ATOM 1636 HG3 ARG A 125 -3.610 -24.892 20.716 1.00 15.69 H ATOM 1637 HD2 ARG A 125 -1.913 -26.470 20.876 1.00 20.32 H ATOM 1638 HD3 ARG A 125 -2.011 -26.501 22.462 1.00 20.32 H ATOM 1639 HE ARG A 125 -3.594 -28.006 22.286 1.00 18.50 H ATOM 1640 HH11 ARG A 125 -3.237 -26.818 19.180 1.00 16.88 H ATOM 1641 HH12 ARG A 125 -4.177 -27.789 18.552 1.00 16.88 H ATOM 1642 HH21 ARG A 125 -5.007 -29.467 21.194 1.00 20.45 H ATOM 1643 HH22 ARG A 125 -5.205 -29.327 19.725 1.00 20.45 H ATOM 1644 N ALA A 126 -1.448 -20.623 21.592 1.00 13.46 N ATOM 1645 CA ALA A 126 -0.939 -19.442 22.284 1.00 13.00 C ATOM 1646 C ALA A 126 -2.040 -18.476 22.702 1.00 11.89 C ATOM 1647 O ALA A 126 -1.856 -17.730 23.648 1.00 14.23 O ATOM 1648 CB ALA A 126 0.050 -18.669 21.382 1.00 15.93 C ATOM 1649 H ALA A 126 -1.127 -20.752 20.805 1.00 16.15 H ATOM 1650 HA ALA A 126 -0.483 -19.762 23.078 1.00 15.60 H ATOM 1651 HB1 ALA A 126 0.396 -17.907 21.874 1.00 19.11 H ATOM 1652 HB2 ALA A 126 0.778 -19.259 21.132 1.00 19.11 H ATOM 1653 HB3 ALA A 126 -0.417 -18.365 20.588 1.00 19.11 H ATOM 1654 N TRP A 127 -3.139 -18.380 21.973 1.00 11.38 N ATOM 1655 CA TRP A 127 -4.275 -17.560 22.330 1.00 11.15 C ATOM 1656 C TRP A 127 -5.310 -18.350 23.100 1.00 10.48 C ATOM 1657 O TRP A 127 -5.913 -19.278 22.575 1.00 11.09 O ATOM 1658 CB TRP A 127 -4.911 -17.066 21.043 1.00 10.79 C ATOM 1659 CG TRP A 127 -4.179 -16.034 20.211 1.00 10.01 C ATOM 1660 CD1 TRP A 127 -4.243 -14.683 20.360 1.00 11.31 C ATOM 1661 CD2 TRP A 127 -3.331 -16.274 19.080 1.00 10.64 C ATOM 1662 NE1 TRP A 127 -3.489 -14.073 19.423 1.00 11.70 N ATOM 1663 CE2 TRP A 127 -2.941 -15.016 18.588 1.00 10.77 C ATOM 1664 CE3 TRP A 127 -2.886 -17.413 18.414 1.00 9.07 C ATOM 1665 CZ2 TRP A 127 -2.101 -14.890 17.421 1.00 10.87 C ATOM 1666 CZ3 TRP A 127 -2.120 -17.303 17.312 1.00 10.65 C ATOM 1667 CH2 TRP A 127 -1.735 -16.077 16.790 1.00 10.80 C ATOM 1668 H TRP A 127 -3.253 -18.802 21.232 1.00 13.66 H ATOM 1669 HA TRP A 127 -3.977 -16.834 22.901 1.00 13.38 H ATOM 1670 HB2 TRP A 127 -5.042 -17.836 20.468 1.00 12.95 H ATOM 1671 HB3 TRP A 127 -5.767 -16.673 21.273 1.00 12.95 H ATOM 1672 HD1 TRP A 127 -4.736 -14.244 21.015 1.00 13.57 H ATOM 1673 HE1 TRP A 127 -3.369 -13.224 19.358 1.00 14.04 H ATOM 1674 HE3 TRP A 127 -3.120 -18.255 18.732 1.00 10.88 H ATOM 1675 HZ2 TRP A 127 -1.819 -14.061 17.107 1.00 13.04 H ATOM 1676 HZ3 TRP A 127 -1.837 -18.080 16.885 1.00 12.78 H ATOM 1677 HH2 TRP A 127 -1.228 -16.047 16.011 1.00 12.96 H ATOM 1678 N VAL A 128 -5.563 -17.961 24.334 1.00 12.74 N ATOM 1679 CA VAL A 128 -6.501 -18.717 25.144 1.00 10.43 C ATOM 1680 C VAL A 128 -7.903 -18.649 24.590 1.00 11.58 C ATOM 1681 O VAL A 128 -8.672 -19.626 24.708 1.00 11.77 O ATOM 1682 CB VAL A 128 -6.412 -18.320 26.637 1.00 16.00 C ATOM 1683 CG1 VAL A 128 -6.847 -16.894 26.874 1.00 24.69 C ATOM 1684 CG2 VAL A 128 -7.233 -19.301 27.482 1.00 19.49 C ATOM 1685 H VAL A 128 -5.214 -17.277 24.721 1.00 15.29 H ATOM 1686 HA VAL A 128 -6.238 -19.650 25.098 1.00 12.52 H ATOM 1687 HB VAL A 128 -5.483 -18.368 26.913 1.00 19.20 H ATOM 1688 HG11 VAL A 128 -6.719 -16.676 27.810 1.00 29.62 H ATOM 1689 HG12 VAL A 128 -6.312 -16.304 26.320 1.00 29.62 H ATOM 1690 HG13 VAL A 128 -7.784 -16.807 26.640 1.00 29.62 H ATOM 1691 HG21 VAL A 128 -7.096 -19.101 28.421 1.00 23.39 H ATOM 1692 HG22 VAL A 128 -8.172 -19.203 27.257 1.00 23.39 H ATOM 1693 HG23 VAL A 128 -6.940 -20.206 27.291 1.00 23.39 H ATOM 1694 N ALA A 129 -8.253 -17.582 23.906 1.00 12.19 N ATOM 1695 CA ALA A 129 -9.592 -17.519 23.336 1.00 12.90 C ATOM 1696 C ALA A 129 -9.796 -18.616 22.298 1.00 12.89 C ATOM 1697 O ALA A 129 -10.928 -19.108 22.127 1.00 11.98 O ATOM 1698 CB ALA A 129 -9.884 -16.153 22.715 1.00 14.64 C ATOM 1699 H ALA A 129 -7.755 -16.897 23.759 1.00 14.63 H ATOM 1700 HA ALA A 129 -10.227 -17.639 24.059 1.00 15.48 H ATOM 1701 HB1 ALA A 129 -10.789 -16.152 22.366 1.00 17.57 H ATOM 1702 HB2 ALA A 129 -9.792 -15.470 23.398 1.00 17.57 H ATOM 1703 HB3 ALA A 129 -9.252 -15.991 21.997 1.00 17.57 H ATOM 1704 N TRP A 130 -8.726 -18.981 21.579 1.00 11.16 N ATOM 1705 CA TRP A 130 -8.853 -20.109 20.656 1.00 9.70 C ATOM 1706 C TRP A 130 -9.128 -21.415 21.393 1.00 9.80 C ATOM 1707 O TRP A 130 -9.974 -22.179 21.005 1.00 9.82 O ATOM 1708 CB TRP A 130 -7.605 -20.229 19.779 1.00 10.82 C ATOM 1709 CG TRP A 130 -7.706 -21.345 18.758 1.00 9.75 C ATOM 1710 CD1 TRP A 130 -8.231 -21.248 17.509 1.00 9.31 C ATOM 1711 CD2 TRP A 130 -7.310 -22.708 18.935 1.00 10.30 C ATOM 1712 NE1 TRP A 130 -8.194 -22.465 16.900 1.00 10.76 N ATOM 1713 CE2 TRP A 130 -7.656 -23.388 17.767 1.00 10.93 C ATOM 1714 CE3 TRP A 130 -6.727 -23.434 19.996 1.00 10.00 C ATOM 1715 CZ2 TRP A 130 -7.417 -24.762 17.605 1.00 11.94 C ATOM 1716 CZ3 TRP A 130 -6.466 -24.784 19.818 1.00 11.27 C ATOM 1717 CH2 TRP A 130 -6.812 -25.417 18.613 1.00 10.89 C ATOM 1718 H TRP A 130 -7.952 -18.607 21.607 1.00 13.39 H ATOM 1719 HA TRP A 130 -9.608 -19.939 20.071 1.00 11.64 H ATOM 1720 HB2 TRP A 130 -7.475 -19.395 19.300 1.00 12.99 H ATOM 1721 HB3 TRP A 130 -6.838 -20.409 20.346 1.00 12.99 H ATOM 1722 HD1 TRP A 130 -8.565 -20.469 17.127 1.00 11.17 H ATOM 1723 HE1 TRP A 130 -8.463 -22.631 16.100 1.00 12.92 H ATOM 1724 HE3 TRP A 130 -6.521 -23.014 20.800 1.00 12.01 H ATOM 1725 HZ2 TRP A 130 -7.669 -25.205 16.827 1.00 14.33 H ATOM 1726 HZ3 TRP A 130 -6.060 -25.272 20.499 1.00 13.53 H ATOM 1727 HH2 TRP A 130 -6.616 -26.320 18.508 1.00 13.07 H ATOM 1728 N ARG A 131 -8.433 -21.656 22.501 1.00 9.44 N ATOM 1729 CA ARG A 131 -8.725 -22.841 23.321 1.00 9.96 C ATOM 1730 C ARG A 131 -10.167 -22.827 23.789 1.00 11.02 C ATOM 1731 O ARG A 131 -10.821 -23.876 23.814 1.00 10.76 O ATOM 1732 CB ARG A 131 -7.761 -22.944 24.496 1.00 12.45 C ATOM 1733 CG ARG A 131 -6.311 -22.912 24.116 1.00 12.75 C ATOM 1734 CD ARG A 131 -5.340 -22.764 25.258 1.00 18.24 C ATOM 1735 NE ARG A 131 -5.430 -23.835 26.178 1.00 26.35 N ATOM 1736 CZ ARG A 131 -4.756 -23.844 27.321 1.00 37.67 C ATOM 1737 NH1 ARG A 131 -3.927 -22.811 27.615 1.00 20.62 N ATOM 1738 NH2 ARG A 131 -4.964 -24.863 28.161 1.00 33.16 N ATOM 1739 H ARG A 131 -7.797 -21.162 22.801 1.00 11.33 H ATOM 1740 HA ARG A 131 -8.590 -23.635 22.781 1.00 11.95 H ATOM 1741 HB2 ARG A 131 -7.923 -22.198 25.095 1.00 14.94 H ATOM 1742 HB3 ARG A 131 -7.924 -23.781 24.957 1.00 14.94 H ATOM 1743 HG2 ARG A 131 -6.097 -23.742 23.663 1.00 15.30 H ATOM 1744 HG3 ARG A 131 -6.169 -22.161 23.519 1.00 15.30 H ATOM 1745 HD2 ARG A 131 -4.437 -22.743 24.906 1.00 21.89 H ATOM 1746 HD3 ARG A 131 -5.531 -21.940 25.733 1.00 21.89 H ATOM 1747 HE ARG A 131 -5.939 -24.502 25.991 1.00 31.62 H ATOM 1748 HH11 ARG A 131 -3.842 -22.157 27.063 1.00 24.75 H ATOM 1749 HH12 ARG A 131 -3.487 -22.810 28.354 1.00 24.75 H ATOM 1750 HH21 ARG A 131 -5.521 -25.485 27.954 1.00 39.80 H ATOM 1751 HH22 ARG A 131 -4.542 -24.896 28.910 1.00 39.80 H ATOM 1752 N ASN A 132 -10.680 -21.674 24.150 1.00 12.44 N ATOM 1753 CA ASN A 132 -12.005 -21.569 24.752 1.00 10.95 C ATOM 1754 C ASN A 132 -13.118 -21.673 23.752 1.00 10.98 C ATOM 1755 O ASN A 132 -14.188 -22.204 24.061 1.00 12.17 O ATOM 1756 CB ASN A 132 -12.182 -20.207 25.466 1.00 14.32 C ATOM 1757 CG ASN A 132 -11.229 -19.997 26.607 1.00 15.59 C ATOM 1758 OD1 ASN A 132 -10.619 -20.920 27.086 1.00 16.32 O ATOM 1759 ND2 ASN A 132 -11.066 -18.746 27.009 1.00 16.53 N ATOM 1760 H ASN A 132 -10.282 -20.917 24.059 1.00 14.93 H ATOM 1761 HA ASN A 132 -12.063 -22.300 25.387 1.00 13.14 H ATOM 1762 HB2 ASN A 132 -12.036 -19.495 24.823 1.00 17.18 H ATOM 1763 HB3 ASN A 132 -13.084 -20.154 25.819 1.00 17.18 H ATOM 1764 HD21 ASN A 132 -10.532 -18.569 27.659 1.00 19.83 H ATOM 1765 HD22 ASN A 132 -11.495 -18.110 26.619 1.00 19.83 H ATOM 1766 N ARG A 133 -12.909 -21.129 22.560 1.00 10.83 N ATOM 1767 CA ARG A 133 -13.972 -20.856 21.631 1.00 10.35 C ATOM 1768 C ARG A 133 -13.866 -21.584 20.311 1.00 10.16 C ATOM 1769 O ARG A 133 -14.807 -21.499 19.510 1.00 12.67 O ATOM 1770 CB ARG A 133 -14.106 -19.352 21.332 1.00 12.59 C ATOM 1771 CG ARG A 133 -14.202 -18.483 22.553 1.00 16.47 C ATOM 1772 CD ARG A 133 -15.611 -18.366 22.952 1.00 13.15 C ATOM 1773 NE ARG A 133 -15.747 -17.415 24.052 1.00 14.28 N ATOM 1774 CZ ARG A 133 -16.919 -17.055 24.522 1.00 15.35 C ATOM 1775 NH1 ARG A 133 -17.992 -17.591 24.003 1.00 18.45 N ATOM 1776 NH2 ARG A 133 -17.009 -16.198 25.591 1.00 17.58 N ATOM 1777 H ARG A 133 -12.132 -20.906 22.266 1.00 13.00 H ATOM 1778 HA ARG A 133 -14.789 -21.144 22.068 1.00 12.42 H ATOM 1779 HB2 ARG A 133 -13.328 -19.067 20.828 1.00 15.11 H ATOM 1780 HB3 ARG A 133 -14.910 -19.212 20.808 1.00 15.11 H ATOM 1781 HG2 ARG A 133 -13.700 -18.881 23.281 1.00 19.77 H ATOM 1782 HG3 ARG A 133 -13.856 -17.598 22.356 1.00 19.77 H ATOM 1783 HD2 ARG A 133 -16.138 -18.049 22.202 1.00 15.79 H ATOM 1784 HD3 ARG A 133 -15.940 -19.230 23.246 1.00 15.79 H ATOM 1785 HE ARG A 133 -15.037 -17.081 24.404 1.00 17.14 H ATOM 1786 HH11 ARG A 133 -17.921 -18.167 23.369 1.00 22.14 H ATOM 1787 HH12 ARG A 133 -18.769 -17.368 24.297 1.00 22.14 H ATOM 1788 HH21 ARG A 133 -16.294 -15.893 25.959 1.00 21.10 H ATOM 1789 HH22 ARG A 133 -17.780 -15.966 25.893 1.00 21.10 H ATOM 1790 N CYS A 134 -12.751 -22.257 20.030 1.00 9.65 N ATOM 1791 CA CYS A 134 -12.446 -22.842 18.709 1.00 9.51 C ATOM 1792 C CYS A 134 -11.931 -24.269 18.794 1.00 9.24 C ATOM 1793 O CYS A 134 -12.298 -25.082 17.981 1.00 9.81 O ATOM 1794 CB CYS A 134 -11.359 -21.988 17.998 1.00 9.16 C ATOM 1795 SG CYS A 134 -11.819 -20.254 17.875 1.00 10.41 S ATOM 1796 H CYS A 134 -12.127 -22.398 20.605 1.00 11.58 H ATOM 1797 HA CYS A 134 -13.261 -22.840 18.184 1.00 11.41 H ATOM 1798 HB2 CYS A 134 -10.532 -22.046 18.501 1.00 11.00 H ATOM 1799 HB3 CYS A 134 -11.226 -22.330 17.100 1.00 11.00 H ATOM 1800 N GLN A 135 -11.057 -24.555 19.749 1.00 9.36 N ATOM 1801 CA GLN A 135 -10.475 -25.893 19.872 1.00 9.57 C ATOM 1802 C GLN A 135 -11.545 -26.940 20.098 1.00 9.95 C ATOM 1803 O GLN A 135 -12.461 -26.782 20.895 1.00 10.33 O ATOM 1804 CB GLN A 135 -9.533 -25.913 21.080 1.00 10.53 C ATOM 1805 CG GLN A 135 -8.722 -27.183 21.261 1.00 11.51 C ATOM 1806 CD GLN A 135 -7.798 -27.167 22.441 1.00 12.86 C ATOM 1807 OE1 GLN A 135 -7.610 -26.175 23.069 1.00 16.29 O ATOM 1808 NE2 GLN A 135 -7.097 -28.246 22.622 1.00 19.61 N ATOM 1809 H GLN A 135 -10.781 -23.996 20.342 1.00 11.23 H ATOM 1810 HA GLN A 135 -9.996 -26.104 19.056 1.00 11.48 H ATOM 1811 HB2 GLN A 135 -8.904 -25.181 20.988 1.00 12.64 H ATOM 1812 HB3 GLN A 135 -10.065 -25.795 21.883 1.00 12.64 H ATOM 1813 HG2 GLN A 135 -9.333 -27.927 21.379 1.00 13.81 H ATOM 1814 HG3 GLN A 135 -8.181 -27.321 20.468 1.00 13.81 H ATOM 1815 HE21 GLN A 135 -7.182 -28.909 22.081 1.00 23.53 H ATOM 1816 HE22 GLN A 135 -6.549 -28.296 23.282 1.00 23.53 H ATOM 1817 N ASN A 136 -11.376 -28.053 19.405 1.00 11.01 N ATOM 1818 CA ASN A 136 -12.296 -29.197 19.515 1.00 11.25 C ATOM 1819 C ASN A 136 -13.728 -28.840 19.176 1.00 14.13 C ATOM 1820 O ASN A 136 -14.663 -29.475 19.684 1.00 17.91 O ATOM 1821 CB ASN A 136 -12.198 -29.872 20.879 1.00 13.52 C ATOM 1822 CG ASN A 136 -10.804 -30.400 21.147 1.00 13.20 C ATOM 1823 OD1 ASN A 136 -10.119 -30.814 20.237 1.00 14.03 O ATOM 1824 ND2 ASN A 136 -10.362 -30.338 22.413 1.00 14.66 N ATOM 1825 H ASN A 136 -10.729 -28.182 18.853 1.00 13.22 H ATOM 1826 HA ASN A 136 -12.022 -29.849 18.851 1.00 13.50 H ATOM 1827 HB2 ASN A 136 -12.418 -29.228 21.570 1.00 16.22 H ATOM 1828 HB3 ASN A 136 -12.817 -30.618 20.911 1.00 16.22 H ATOM 1829 HD21 ASN A 136 -9.577 -30.627 22.608 1.00 17.59 H ATOM 1830 HD22 ASN A 136 -10.865 -30.009 23.028 1.00 17.59 H ATOM 1831 N ARG A 137 -13.954 -27.827 18.356 1.00 10.49 N ATOM 1832 CA ARG A 137 -15.264 -27.436 17.932 1.00 10.62 C ATOM 1833 C ARG A 137 -15.379 -27.565 16.428 1.00 11.08 C ATOM 1834 O ARG A 137 -14.361 -27.589 15.719 1.00 11.61 O ATOM 1835 CB ARG A 137 -15.578 -25.992 18.313 1.00 12.36 C ATOM 1836 CG ARG A 137 -15.655 -25.872 19.810 1.00 12.15 C ATOM 1837 CD ARG A 137 -15.997 -24.456 20.085 1.00 13.49 C ATOM 1838 NE ARG A 137 -15.894 -24.123 21.511 1.00 13.40 N ATOM 1839 CZ ARG A 137 -16.933 -23.973 22.319 1.00 13.93 C ATOM 1840 NH1 ARG A 137 -18.170 -24.187 21.913 1.00 18.62 N ATOM 1841 NH2 ARG A 137 -16.685 -23.547 23.545 1.00 15.20 N ATOM 1842 H ARG A 137 -13.330 -27.337 18.023 1.00 12.59 H ATOM 1843 HA ARG A 137 -15.910 -28.021 18.359 1.00 12.75 H ATOM 1844 HB2 ARG A 137 -14.877 -25.407 17.986 1.00 14.83 H ATOM 1845 HB3 ARG A 137 -16.431 -25.731 17.933 1.00 14.83 H ATOM 1846 HG2 ARG A 137 -16.347 -26.451 20.166 1.00 14.58 H ATOM 1847 HG3 ARG A 137 -14.801 -26.088 20.216 1.00 14.58 H ATOM 1848 HD2 ARG A 137 -15.387 -23.881 19.596 1.00 16.19 H ATOM 1849 HD3 ARG A 137 -16.910 -24.288 19.801 1.00 16.19 H ATOM 1850 HE ARG A 137 -15.107 -24.019 21.843 1.00 16.08 H ATOM 1851 HH11 ARG A 137 -18.320 -24.431 21.102 1.00 22.35 H ATOM 1852 HH12 ARG A 137 -18.827 -24.082 22.458 1.00 22.35 H ATOM 1853 HH21 ARG A 137 -15.877 -23.380 23.788 1.00 18.24 H ATOM 1854 HH22 ARG A 137 -17.332 -23.436 24.101 1.00 18.24 H ATOM 1855 N ASP A 138 -16.617 -27.620 15.948 1.00 10.42 N ATOM 1856 CA ASP A 138 -16.903 -27.508 14.504 1.00 9.99 C ATOM 1857 C ASP A 138 -16.813 -26.053 14.117 1.00 11.40 C ATOM 1858 O ASP A 138 -17.685 -25.253 14.479 1.00 11.70 O ATOM 1859 CB ASP A 138 -18.265 -28.132 14.227 1.00 11.82 C ATOM 1860 CG ASP A 138 -18.631 -28.066 12.780 1.00 11.91 C ATOM 1861 OD1 ASP A 138 -17.816 -27.532 11.948 1.00 12.84 O ATOM 1862 OD2 ASP A 138 -19.749 -28.562 12.478 1.00 12.24 O ATOM 1863 H ASP A 138 -17.319 -27.721 16.434 1.00 12.50 H ATOM 1864 HA ASP A 138 -16.249 -27.981 13.966 1.00 11.99 H ATOM 1865 HB2 ASP A 138 -18.248 -29.065 14.492 1.00 14.19 H ATOM 1866 HB3 ASP A 138 -18.942 -27.655 14.732 1.00 14.19 H ATOM 1867 N VAL A 139 -15.770 -25.685 13.378 1.00 9.74 N ATOM 1868 CA VAL A 139 -15.534 -24.299 13.006 1.00 11.86 C ATOM 1869 C VAL A 139 -15.820 -24.049 11.532 1.00 11.26 C ATOM 1870 O VAL A 139 -15.473 -22.974 10.993 1.00 10.63 O ATOM 1871 CB VAL A 139 -14.116 -23.879 13.394 1.00 11.90 C ATOM 1872 CG1 VAL A 139 -13.954 -23.851 14.917 1.00 14.14 C ATOM 1873 CG2 VAL A 139 -13.070 -24.710 12.742 1.00 14.24 C ATOM 1874 H VAL A 139 -15.177 -26.231 13.077 1.00 11.70 H ATOM 1875 HA VAL A 139 -16.152 -23.733 13.493 1.00 14.24 H ATOM 1876 HB VAL A 139 -13.979 -22.977 13.064 1.00 14.28 H ATOM 1877 HG11 VAL A 139 -13.050 -23.574 15.134 1.00 16.96 H ATOM 1878 HG12 VAL A 139 -14.591 -23.222 15.291 1.00 16.96 H ATOM 1879 HG13 VAL A 139 -14.121 -24.739 15.269 1.00 16.96 H ATOM 1880 HG21 VAL A 139 -12.198 -24.342 12.952 1.00 17.09 H ATOM 1881 HG22 VAL A 139 -13.135 -25.618 13.076 1.00 17.09 H ATOM 1882 HG23 VAL A 139 -13.212 -24.699 11.783 1.00 17.09 H ATOM 1883 N ARG A 140 -16.471 -24.993 10.838 1.00 10.77 N ATOM 1884 CA ARG A 140 -16.693 -24.847 9.391 1.00 11.44 C ATOM 1885 C ARG A 140 -17.529 -23.631 9.055 1.00 11.21 C ATOM 1886 O ARG A 140 -17.380 -23.058 7.970 1.00 10.96 O ATOM 1887 CB ARG A 140 -17.331 -26.136 8.868 1.00 13.09 C ATOM 1888 CG ARG A 140 -16.394 -27.370 8.862 1.00 13.50 C ATOM 1889 CD ARG A 140 -17.081 -28.609 8.451 0.79 15.01 C ATOM 1890 NE ARG A 140 -18.059 -28.999 9.475 0.62 11.54 N ATOM 1891 CZ ARG A 140 -18.889 -30.023 9.299 0.76 14.33 C ATOM 1892 NH1 ARG A 140 -18.816 -30.736 8.183 0.76 18.58 N ATOM 1893 NH2 ARG A 140 -19.782 -30.357 10.201 0.75 15.74 N ATOM 1894 H ARG A 140 -16.789 -25.718 11.175 1.00 12.92 H ATOM 1895 HA ARG A 140 -15.845 -24.718 8.939 1.00 13.73 H ATOM 1896 HB2 ARG A 140 -18.093 -26.351 9.429 1.00 15.71 H ATOM 1897 HB3 ARG A 140 -17.622 -25.987 7.955 1.00 15.71 H ATOM 1898 HG2 ARG A 140 -15.666 -27.211 8.241 1.00 16.21 H ATOM 1899 HG3 ARG A 140 -16.043 -27.505 9.756 1.00 16.21 H ATOM 1900 HD2 ARG A 140 -17.547 -28.463 7.613 1.00 18.01 H ATOM 1901 HD3 ARG A 140 -16.434 -29.325 8.349 0.91 18.01 H ATOM 1902 HE ARG A 140 -18.096 -28.552 10.209 0.12 13.85 H ATOM 1903 HH11 ARG A 140 -18.236 -30.534 7.581 1.00 22.30 H ATOM 1904 HH12 ARG A 140 -19.349 -31.400 8.062 0.60 22.30 H ATOM 1905 HH21 ARG A 140 -19.843 -29.908 10.932 0.48 18.89 H ATOM 1906 HH22 ARG A 140 -20.307 -31.024 10.061 0.08 18.89 H ATOM 1907 N GLN A 141 -18.402 -23.180 9.943 1.00 10.32 N ATOM 1908 CA GLN A 141 -19.321 -22.097 9.604 1.00 12.69 C ATOM 1909 C GLN A 141 -18.559 -20.844 9.218 1.00 11.30 C ATOM 1910 O GLN A 141 -19.036 -19.992 8.466 1.00 13.64 O ATOM 1911 CB GLN A 141 -20.286 -21.764 10.756 1.00 12.42 C ATOM 1912 CG GLN A 141 -19.667 -21.152 12.020 1.00 13.90 C ATOM 1913 CD GLN A 141 -20.589 -21.107 13.233 1.00 20.81 C ATOM 1914 OE1 GLN A 141 -21.113 -20.079 13.655 0.00 17.95 O ATOM 1915 NE2 GLN A 141 -20.793 -22.263 13.773 1.00 17.54 N ATOM 1916 H GLN A 141 -18.486 -23.479 10.745 1.00 12.38 H ATOM 1917 HA GLN A 141 -19.863 -22.404 8.860 1.00 15.23 H ATOM 1918 HB2 GLN A 141 -20.941 -21.128 10.425 1.00 14.90 H ATOM 1919 HB3 GLN A 141 -20.728 -22.584 11.025 1.00 14.90 H ATOM 1920 HG2 GLN A 141 -18.889 -21.677 12.265 1.00 16.68 H ATOM 1921 HG3 GLN A 141 -19.403 -20.240 11.822 1.00 16.68 H ATOM 1922 HE21 GLN A 141 -20.421 -22.964 13.441 1.00 21.05 H ATOM 1923 HE22 GLN A 141 -21.301 -22.331 14.463 1.00 21.05 H ATOM 1924 N TYR A 142 -17.344 -20.656 9.778 1.00 9.99 N ATOM 1925 CA TYR A 142 -16.695 -19.359 9.650 1.00 11.94 C ATOM 1926 C TYR A 142 -16.290 -19.091 8.205 1.00 10.89 C ATOM 1927 O TYR A 142 -16.179 -17.937 7.822 1.00 11.30 O ATOM 1928 CB TYR A 142 -15.504 -19.207 10.596 1.00 11.67 C ATOM 1929 CG TYR A 142 -15.892 -19.199 12.030 1.00 10.80 C ATOM 1930 CD1 TYR A 142 -16.492 -18.083 12.616 1.00 16.02 C ATOM 1931 CD2 TYR A 142 -15.734 -20.294 12.826 1.00 12.00 C ATOM 1932 CE1 TYR A 142 -16.862 -18.150 13.957 1.00 16.53 C ATOM 1933 CE2 TYR A 142 -16.106 -20.336 14.119 1.00 12.70 C ATOM 1934 CZ TYR A 142 -16.698 -19.281 14.660 1.00 12.81 C ATOM 1935 OH TYR A 142 -17.100 -19.314 16.021 1.00 14.98 O ATOM 1936 H TYR A 142 -16.900 -21.247 10.217 1.00 11.99 H ATOM 1937 HA TYR A 142 -17.330 -18.679 9.925 1.00 14.34 H ATOM 1938 HB2 TYR A 142 -14.895 -19.949 10.456 1.00 14.00 H ATOM 1939 HB3 TYR A 142 -15.055 -18.369 10.404 1.00 14.00 H ATOM 1940 HD1 TYR A 142 -16.642 -17.311 12.120 1.00 19.22 H ATOM 1941 HD2 TYR A 142 -15.349 -21.055 12.456 1.00 14.40 H ATOM 1942 HE1 TYR A 142 -17.226 -17.401 14.371 1.00 19.83 H ATOM 1943 HE2 TYR A 142 -15.949 -21.099 14.629 1.00 15.24 H ATOM 1944 HH TYR A 142 -16.922 -20.065 16.355 1.00 17.98 H ATOM 1945 N VAL A 143 -16.051 -20.113 7.397 1.00 11.04 N ATOM 1946 CA VAL A 143 -15.623 -19.974 6.020 1.00 9.85 C ATOM 1947 C VAL A 143 -16.720 -20.332 5.008 1.00 11.38 C ATOM 1948 O VAL A 143 -16.492 -20.298 3.812 1.00 11.44 O ATOM 1949 CB VAL A 143 -14.351 -20.785 5.708 1.00 10.12 C ATOM 1950 CG1 VAL A 143 -13.163 -20.234 6.504 1.00 12.19 C ATOM 1951 CG2 VAL A 143 -14.531 -22.264 5.891 1.00 12.39 C ATOM 1952 H VAL A 143 -16.133 -20.934 7.638 1.00 13.25 H ATOM 1953 HA VAL A 143 -15.407 -19.036 5.898 1.00 11.83 H ATOM 1954 HB VAL A 143 -14.154 -20.677 4.764 1.00 12.15 H ATOM 1955 HG11 VAL A 143 -12.367 -20.736 6.271 1.00 14.63 H ATOM 1956 HG12 VAL A 143 -13.040 -19.298 6.281 1.00 14.63 H ATOM 1957 HG13 VAL A 143 -13.347 -20.327 7.451 1.00 14.63 H ATOM 1958 HG21 VAL A 143 -13.682 -22.707 5.735 1.00 14.86 H ATOM 1959 HG22 VAL A 143 -14.833 -22.435 6.796 1.00 14.86 H ATOM 1960 HG23 VAL A 143 -15.191 -22.582 5.255 1.00 14.86 H ATOM 1961 N GLN A 144 -17.898 -20.691 5.470 1.00 12.36 N ATOM 1962 CA GLN A 144 -18.947 -21.190 4.561 1.00 11.97 C ATOM 1963 C GLN A 144 -19.348 -20.092 3.605 1.00 12.53 C ATOM 1964 O GLN A 144 -19.725 -19.007 4.036 1.00 11.74 O ATOM 1965 CB GLN A 144 -20.174 -21.618 5.366 1.00 17.88 C ATOM 1966 CG GLN A 144 -21.178 -22.456 4.546 1.00 18.59 C ATOM 1967 CD GLN A 144 -20.560 -23.705 3.955 0.44 21.81 C ATOM 1968 OE1 GLN A 144 -19.869 -24.451 4.654 0.27 22.63 O ATOM 1969 NE2 GLN A 144 -20.819 -23.952 2.685 0.28 26.44 N ATOM 1970 H GLN A 144 -18.130 -20.660 6.298 1.00 14.83 H ATOM 1971 HA GLN A 144 -18.612 -21.954 4.066 1.00 14.37 H ATOM 1972 HB2 GLN A 144 -19.883 -22.154 6.120 1.00 21.45 H ATOM 1973 HB3 GLN A 144 -20.634 -20.825 5.682 1.00 21.45 H ATOM 1974 HG2 GLN A 144 -21.907 -22.728 5.124 1.00 22.31 H ATOM 1975 HG3 GLN A 144 -21.517 -21.915 3.816 1.00 22.31 H ATOM 1976 HE21 GLN A 144 -21.317 -23.415 2.235 1.00 31.73 H ATOM 1977 HE22 GLN A 144 -20.489 -24.651 2.307 0.70 31.73 H ATOM 1978 N GLY A 145 -19.342 -20.410 2.307 1.00 10.69 N ATOM 1979 CA GLY A 145 -19.798 -19.509 1.268 1.00 10.87 C ATOM 1980 C GLY A 145 -18.825 -18.466 0.832 1.00 9.87 C ATOM 1981 O GLY A 145 -19.168 -17.648 -0.026 1.00 10.70 O ATOM 1982 H GLY A 145 -19.069 -21.166 2.002 1.00 12.83 H ATOM 1983 HA2 GLY A 145 -20.030 -20.035 0.487 1.00 13.04 H ATOM 1984 HA3 GLY A 145 -20.591 -19.051 1.587 1.00 13.04 H ATOM 1985 N CYS A 146 -17.585 -18.502 1.357 1.00 9.49 N ATOM 1986 CA CYS A 146 -16.709 -17.386 1.122 1.00 9.47 C ATOM 1987 C CYS A 146 -15.797 -17.556 -0.082 1.00 11.34 C ATOM 1988 O CYS A 146 -15.097 -16.614 -0.405 1.00 12.57 O ATOM 1989 CB CYS A 146 -15.823 -17.173 2.357 1.00 9.13 C ATOM 1990 SG CYS A 146 -16.696 -16.815 3.927 1.00 10.14 S ATOM 1991 H CYS A 146 -17.261 -19.143 1.829 1.00 11.39 H ATOM 1992 HA CYS A 146 -17.258 -16.601 0.968 1.00 11.37 H ATOM 1993 HB2 CYS A 146 -15.302 -17.978 2.497 1.00 10.96 H ATOM 1994 HB3 CYS A 146 -15.234 -16.423 2.180 1.00 10.96 H ATOM 1995 N GLY A 147 -15.805 -18.740 -0.652 1.00 12.86 N ATOM 1996 CA GLY A 147 -15.000 -19.012 -1.835 1.00 17.28 C ATOM 1997 C GLY A 147 -13.549 -19.320 -1.531 1.00 18.61 C ATOM 1998 O GLY A 147 -12.674 -18.982 -2.346 1.00 19.90 O ATOM 1999 H GLY A 147 -16.268 -19.411 -0.378 1.00 15.44 H ATOM 2000 HA2 GLY A 147 -15.377 -19.773 -2.304 1.00 20.73 H ATOM 2001 HA3 GLY A 147 -15.027 -18.237 -2.419 1.00 20.73 H ATOM 2002 N VAL A 148 -13.249 -19.837 -0.336 1.00 13.28 N ATOM 2003 CA VAL A 148 -11.868 -20.133 0.029 1.00 13.54 C ATOM 2004 C VAL A 148 -11.683 -21.610 0.140 1.00 18.84 C ATOM 2005 O VAL A 148 -10.551 -22.004 0.356 1.00 19.94 O ATOM 2006 CB VAL A 148 -11.469 -19.427 1.337 1.00 14.26 C ATOM 2007 CG1 VAL A 148 -11.529 -17.976 1.144 1.00 15.42 C ATOM 2008 CG2 VAL A 148 -12.375 -19.881 2.518 1.00 15.43 C ATOM 2009 OXT VAL A 148 -12.627 -22.367 0.032 1.00 20.39 O ATOM 2010 H VAL A 148 -13.826 -20.024 0.274 1.00 15.93 H ATOM 2011 HA VAL A 148 -11.279 -19.801 -0.667 1.00 16.25 H ATOM 2012 HB VAL A 148 -10.561 -19.671 1.573 1.00 17.11 H ATOM 2013 HG11 VAL A 148 -11.231 -17.536 1.956 1.00 18.50 H ATOM 2014 HG12 VAL A 148 -10.951 -17.731 0.404 1.00 18.50 H ATOM 2015 HG13 VAL A 148 -12.444 -17.721 0.947 1.00 18.50 H ATOM 2016 HG21 VAL A 148 -12.222 -19.295 3.276 1.00 18.52 H ATOM 2017 HG22 VAL A 148 -13.303 -19.829 2.241 1.00 18.52 H ATOM 2018 HG23 VAL A 148 -12.150 -20.794 2.755 1.00 18.52 H TER 2019 VAL A 148 HETATM 2020 C ACT A 201 -1.096 -13.803 22.245 1.00 20.62 C HETATM 2021 O ACT A 201 -0.767 -12.628 21.993 1.00 14.72 O HETATM 2022 OXT ACT A 201 -1.875 -14.180 23.138 1.00 30.45 O HETATM 2023 CH3 ACT A 201 -0.526 -14.957 21.406 1.00 19.36 C HETATM 2024 H1 ACT A 201 0.442 -14.952 21.465 1.00 23.24 H HETATM 2025 H2 ACT A 201 -0.794 -14.846 20.480 1.00 23.24 H HETATM 2026 H3 ACT A 201 -0.867 -15.800 21.743 1.00 23.24 H HETATM 2027 O HOH A 301 6.836 -5.895 23.804 1.00 9.10 O HETATM 2028 O HOH A 302 -2.590 -6.212 2.541 1.00 29.77 O HETATM 2029 O HOH A 303 -10.069 -32.245 18.480 1.00 12.14 O HETATM 2030 O HOH A 304 -13.577 -29.294 14.338 1.00 19.96 O HETATM 2031 O HOH A 305 -15.276 -8.004 -0.948 1.00 30.06 O HETATM 2032 O HOH A 306 -0.259 -24.445 25.045 1.00 34.36 O HETATM 2033 O HOH A 307 -21.174 -11.460 6.374 1.00 29.23 O HETATM 2034 O HOH A 308 -9.052 -11.528 23.834 1.00 27.75 O HETATM 2035 O HOH A 309 -21.668 -13.503 14.717 1.00 32.55 O HETATM 2036 O HOH A 310 -8.623 1.024 21.613 1.00 27.56 O HETATM 2037 O HOH A 311 -1.943 -1.895 35.494 1.00 18.55 O HETATM 2038 O HOH A 312 -6.985 -8.427 31.109 1.00 37.81 O HETATM 2039 O HOH A 313 -10.241 -24.491 0.875 1.00 29.18 O HETATM 2040 O HOH A 314 -3.839 -11.746 23.720 1.00 26.54 O HETATM 2041 O HOH A 315 10.229 -17.423 20.671 1.00 20.02 O HETATM 2042 O HOH A 316 -12.003 -10.502 -1.659 1.00 22.53 O HETATM 2043 O HOH A 317 6.231 -18.526 22.545 1.00 23.58 O HETATM 2044 O HOH A 318 -6.252 -26.392 25.298 1.00 26.33 O HETATM 2045 O HOH A 319 -18.208 -10.538 14.965 1.00 22.52 O HETATM 2046 O HOH A 320 12.340 -16.289 24.476 1.00 26.39 O HETATM 2047 O HOH A 321 -10.763 -26.248 10.660 1.00 15.05 O HETATM 2048 O HOH A 322 -0.940 3.493 16.172 1.00 12.43 O HETATM 2049 O HOH A 323 0.839 -2.019 27.408 1.00 13.39 O HETATM 2050 O HOH A 324 5.292 -7.622 7.876 1.00 29.50 O HETATM 2051 O HOH A 325 0.707 -10.781 28.972 1.00 16.50 O HETATM 2052 O HOH A 326 -6.875 -14.929 23.912 1.00 13.19 O HETATM 2053 O HOH A 327 -20.791 -22.634 16.396 1.00 22.13 O HETATM 2054 O HOH A 328 4.543 -2.096 7.374 1.00 21.33 O HETATM 2055 O HOH A 329 -7.447 -0.124 11.832 1.00 10.51 O HETATM 2056 O HOH A 330 -1.002 1.507 6.741 1.00 19.89 O HETATM 2057 O HOH A 331 -4.510 -6.284 13.666 1.00 9.66 O HETATM 2058 O HOH A 332 -13.189 -24.783 22.532 1.00 11.52 O HETATM 2059 O HOH A 333 0.201 -16.966 25.198 1.00 30.52 O HETATM 2060 O HOH A 334 1.275 -20.585 3.714 1.00 19.20 O HETATM 2061 O HOH A 335 -8.237 -8.997 24.272 1.00 15.28 O HETATM 2062 O HOH A 336 -21.507 -17.968 -1.332 1.00 10.65 O HETATM 2063 O HOH A 337 6.260 -14.100 10.073 1.00 16.03 O HETATM 2064 O HOH A 338 -9.430 -24.184 3.426 1.00 26.45 O HETATM 2065 O HOH A 339 -11.222 2.176 8.286 1.00 15.75 O HETATM 2066 O HOH A 340 1.574 -0.464 30.476 1.00 19.67 O HETATM 2067 O HOH A 341 -17.806 -3.466 8.942 1.00 15.23 O HETATM 2068 O HOH A 342 2.991 -11.575 25.048 1.00 18.40 O HETATM 2069 O HOH A 343 7.588 3.257 29.390 1.00 30.27 O HETATM 2070 O HOH A 344 3.504 -24.731 15.557 1.00 16.00 O HETATM 2071 O HOH A 345 -20.980 -26.415 11.352 1.00 19.87 O HETATM 2072 O HOH A 346 12.897 -7.762 18.400 1.00 32.20 O HETATM 2073 O HOH A 347 2.032 -11.872 32.509 1.00 25.09 O HETATM 2074 O HOH A 348 -17.291 -24.463 5.538 1.00 18.35 O HETATM 2075 O HOH A 349 6.455 -9.721 12.203 1.00 18.43 O HETATM 2076 O HOH A 350 -2.804 0.243 26.864 1.00 22.52 O HETATM 2077 O HOH A 351 -18.105 -10.858 0.718 1.00 15.02 O HETATM 2078 O HOH A 352 -7.435 -30.345 20.447 1.00 18.77 O HETATM 2079 O HOH A 353 -18.263 -8.066 10.657 1.00 11.19 O HETATM 2080 O HOH A 354 -18.341 -23.903 16.768 1.00 20.46 O HETATM 2081 O HOH A 355 7.315 -20.359 7.717 1.00 30.29 O HETATM 2082 O HOH A 356 1.921 -10.718 5.698 1.00 15.23 O HETATM 2083 O HOH A 357 -9.371 -7.008 1.998 1.00 17.08 O HETATM 2084 O HOH A 358 -10.634 -26.112 15.920 1.00 11.57 O HETATM 2085 O HOH A 359 2.696 -20.321 19.905 1.00 16.14 O HETATM 2086 O HOH A 360 -4.004 -5.015 11.348 1.00 11.77 O HETATM 2087 O HOH A 361 -16.468 -21.758 17.155 1.00 20.45 O HETATM 2088 O HOH A 362 -19.348 -24.372 12.445 1.00 14.78 O HETATM 2089 O HOH A 363 6.491 -4.408 8.452 1.00 32.42 O HETATM 2090 O HOH A 364 -15.327 -21.102 1.426 1.00 15.99 O HETATM 2091 O HOH A 365 -17.885 -8.136 13.386 1.00 13.40 O HETATM 2092 O HOH A 366 -12.002 -0.496 13.197 1.00 10.81 O HETATM 2093 O HOH A 367 -3.409 -19.190 2.221 1.00 12.78 O HETATM 2094 O HOH A 368 3.207 -13.209 5.883 1.00 13.84 O HETATM 2095 O HOH A 369 -7.065 -23.531 -2.434 1.00 31.25 O HETATM 2096 O HOH A 370 3.946 -4.720 5.486 1.00 28.86 O HETATM 2097 O HOH A 371 7.667 -2.366 26.468 1.00 11.08 O HETATM 2098 O HOH A 372 -1.750 1.167 23.697 1.00 19.37 O HETATM 2099 O HOH A 373 -7.377 -4.225 4.617 1.00 13.62 O HETATM 2100 O HOH A 374 -3.058 -20.560 26.046 1.00 31.79 O HETATM 2101 O HOH A 375 8.841 -4.695 23.708 1.00 14.30 O HETATM 2102 O HOH A 376 -13.655 -23.815 2.200 1.00 24.79 O HETATM 2103 O HOH A 377 -7.706 2.746 5.508 1.00 22.37 O HETATM 2104 O HOH A 378 -0.088 -23.017 4.054 1.00 17.91 O HETATM 2105 O HOH A 379 -1.449 -25.934 18.540 1.00 16.20 O HETATM 2106 O HOH A 380 -13.705 -5.115 18.736 1.00 17.76 O HETATM 2107 O HOH A 381 1.964 -26.090 17.549 1.00 13.31 O HETATM 2108 O HOH A 382 10.949 -15.168 12.177 1.00 32.54 O HETATM 2109 O HOH A 383 6.049 -25.613 16.830 1.00 24.25 O HETATM 2110 O HOH A 384 -9.762 -4.657 3.477 1.00 16.33 O HETATM 2111 O HOH A 385 -10.833 -10.346 23.384 1.00 22.98 O HETATM 2112 O HOH A 386 6.340 1.145 19.209 1.00 9.83 O HETATM 2113 O HOH A 387 -17.559 -20.914 19.826 1.00 23.61 O HETATM 2114 O HOH A 388 -1.332 -5.140 10.322 1.00 9.68 O HETATM 2115 O HOH A 389 0.923 0.493 33.167 1.00 23.92 O HETATM 2116 O HOH A 390 8.276 -11.464 27.556 1.00 23.00 O HETATM 2117 O HOH A 391 1.448 -2.060 6.087 1.00 21.59 O HETATM 2118 O HOH A 392 -10.622 -26.573 24.689 1.00 19.13 O HETATM 2119 O HOH A 393 -6.966 -11.614 24.249 1.00 24.49 O HETATM 2120 O HOH A 394 7.284 -24.494 9.152 1.00 23.82 O HETATM 2121 O HOH A 395 9.423 -6.026 10.584 1.00 19.02 O HETATM 2122 O HOH A 396 -16.784 -11.602 19.173 1.00 26.64 O HETATM 2123 O HOH A 397 -2.406 -22.935 1.291 1.00 22.51 O HETATM 2124 O HOH A 398 -12.561 -18.970 -5.223 1.00 22.54 O HETATM 2125 O HOH A 399 -17.873 -7.689 2.008 1.00 29.25 O HETATM 2126 O HOH A 400 0.179 -4.324 7.419 1.00 10.80 O HETATM 2127 O HOH A 401 -22.885 -17.888 14.272 1.00 16.56 O HETATM 2128 O HOH A 402 10.096 -1.482 25.519 1.00 18.43 O HETATM 2129 O HOH A 403 -9.327 -28.143 17.375 1.00 11.15 O HETATM 2130 O HOH A 404 -7.564 -4.805 32.534 1.00 27.04 O HETATM 2131 O HOH A 405 -1.923 -8.213 39.074 1.00 20.47 O HETATM 2132 O HOH A 406 -11.967 -24.592 -1.713 1.00 41.04 O HETATM 2133 O HOH A 407 -3.658 -8.340 15.617 1.00 9.29 O HETATM 2134 O HOH A 408 -2.139 1.892 28.486 1.00 31.82 O HETATM 2135 O HOH A 409 9.788 -2.918 16.416 1.00 12.95 O HETATM 2136 O HOH A 410 -18.325 -22.902 1.198 1.00 19.48 O HETATM 2137 O HOH A 411 8.179 -10.504 30.128 1.00 20.94 O HETATM 2138 O HOH A 412 6.149 -3.659 24.618 1.00 11.37 O HETATM 2139 O HOH A 413 -19.316 -16.207 27.373 1.00 37.13 O HETATM 2140 O HOH A 414 -5.405 -8.292 33.638 1.00 24.46 O HETATM 2141 O HOH A 415 -4.288 1.792 22.823 1.00 31.95 O HETATM 2142 O HOH A 416 -16.193 -5.857 16.014 1.00 17.29 O HETATM 2143 O HOH A 417 -9.725 -19.195 -3.143 1.00 28.68 O HETATM 2144 O HOH A 418 12.727 -8.641 21.403 1.00 24.12 O HETATM 2145 O HOH A 419 -5.551 -6.334 4.728 1.00 10.66 O HETATM 2146 O HOH A 420 -14.287 -27.931 12.168 1.00 14.76 O HETATM 2147 O HOH A 421 9.722 -12.331 13.630 1.00 29.63 O HETATM 2148 O HOH A 422 -3.640 -11.292 26.736 1.00 32.58 O HETATM 2149 O HOH A 423 -10.392 -0.085 4.888 1.00 23.30 O HETATM 2150 O HOH A 424 -19.345 -17.446 16.557 1.00 24.31 O HETATM 2151 O HOH A 425 -12.877 -1.168 4.921 1.00 25.20 O HETATM 2152 O HOH A 426 8.651 -24.705 17.480 1.00 22.10 O HETATM 2153 O HOH A 427 -12.100 -28.971 24.424 1.00 18.17 O HETATM 2154 O HOH A 428 -18.806 -14.740 11.969 1.00 13.58 O HETATM 2155 O HOH A 429 11.802 -13.479 17.331 1.00 28.60 O HETATM 2156 O HOH A 430 10.643 0.949 23.532 1.00 15.61 O HETATM 2157 O HOH A 431 -8.791 -1.609 27.519 1.00 25.56 O HETATM 2158 O HOH A 432 12.012 -13.879 19.411 1.00 38.65 O HETATM 2159 O HOH A 433 1.718 -14.803 24.534 1.00 26.28 O HETATM 2160 O HOH A 434 4.056 -17.665 4.591 1.00 13.04 O HETATM 2161 O HOH A 435 -4.261 -15.330 25.063 1.00 26.42 O HETATM 2162 O HOH A 436 -15.107 -22.515 -1.704 1.00 30.66 O HETATM 2163 O HOH A 437 3.658 -19.399 22.317 1.00 21.51 O HETATM 2164 O HOH A 438 -22.745 -18.869 5.073 1.00 20.64 O HETATM 2165 O HOH A 439 -19.393 -10.238 9.201 1.00 12.74 O HETATM 2166 O HOH A 440 -22.929 -20.038 16.113 1.00 23.57 O HETATM 2167 O HOH A 441 -18.580 -27.578 18.293 1.00 17.07 O HETATM 2168 O HOH A 442 -2.633 -23.455 30.322 1.00 37.46 O HETATM 2169 O HOH A 443 -20.996 -23.250 22.669 1.00 16.56 O HETATM 2170 O HOH A 444 -1.316 2.250 37.061 1.00 24.12 O HETATM 2171 O HOH A 445 -21.812 -13.807 8.712 1.00 25.22 O HETATM 2172 O HOH A 446 -7.924 -31.225 24.072 1.00 35.38 O HETATM 2173 O HOH A 447 -11.481 -1.362 3.575 1.00 31.17 O HETATM 2174 O HOH A 448 -13.254 -14.308 23.553 1.00 31.06 O HETATM 2175 O HOH A 449 -8.610 -13.642 -3.732 1.00 26.06 O HETATM 2176 O HOH A 450 -22.873 -14.248 5.334 1.00 24.71 O HETATM 2177 O HOH A 451 -3.764 -27.541 24.643 1.00 27.19 O HETATM 2178 O HOH A 452 3.313 -23.792 6.522 1.00 19.78 O HETATM 2179 O HOH A 453 10.277 -2.615 13.804 1.00 18.11 O HETATM 2180 O HOH A 454 -17.498 -30.503 5.374 1.00 34.74 O HETATM 2181 O HOH A 455 12.658 -12.404 10.871 1.00 15.49 O HETATM 2182 O HOH A 456 5.156 -21.949 22.916 1.00 21.06 O HETATM 2183 O HOH A 457 -11.101 2.017 11.154 1.00 18.54 O HETATM 2184 O HOH A 458 -15.250 -0.567 9.262 1.00 7.57 O HETATM 2185 O HOH A 459 10.188 -22.472 18.142 1.00 31.05 O HETATM 2186 O HOH A 460 -11.762 -27.961 13.979 1.00 15.60 O HETATM 2187 O HOH A 461 -6.372 -29.092 17.704 1.00 3.51 O HETATM 2188 O HOH A 462 -19.161 -25.033 19.040 1.00 20.36 O HETATM 2189 O HOH A 463 -3.927 0.819 6.982 1.00 7.40 O HETATM 2190 O HOH A 464 10.754 -2.490 29.537 1.00 25.64 O HETATM 2191 O HOH A 465 -13.402 -30.577 16.197 1.00 31.89 O HETATM 2192 O HOH A 466 -21.315 -10.948 2.252 1.00 21.48 O HETATM 2193 O HOH A 467 9.085 -0.127 29.506 1.00 33.03 O HETATM 2194 O HOH A 468 -13.021 -16.576 25.533 1.00 13.21 O HETATM 2195 O HOH A 469 -14.562 -6.052 4.784 1.00 9.25 O HETATM 2196 O HOH A 470 -8.856 5.477 19.856 1.00 11.86 O HETATM 2197 O HOH A 471 -10.802 -24.039 6.394 1.00 7.22 O HETATM 2198 O HOH A 472 -8.952 -28.266 12.526 1.00 2.67 O HETATM 2199 O HOH A 473 -11.804 -16.034 -3.502 1.00 34.29 O HETATM 2200 O HOH A 474 -15.792 -30.210 11.589 1.00 28.07 O HETATM 2201 O HOH A 475 -15.074 -8.442 20.013 1.00 42.29 O HETATM 2202 O HOH A 476 -17.908 -21.227 -1.368 1.00 10.36 O HETATM 2203 O HOH A 477 -11.345 -12.739 23.928 1.00 38.69 O HETATM 2204 O HOH A 478 -15.865 -31.737 6.938 1.00 44.89 O HETATM 2205 O HOH A 479 7.415 -0.217 31.362 1.00 24.14 O HETATM 2206 O HOH A 480 -12.256 -32.852 18.581 1.00 20.12 O HETATM 2207 O HOH A 481 11.921 -3.373 20.620 1.00 8.95 O HETATM 2208 O HOH A 482 8.276 -12.282 11.634 1.00 28.23 O HETATM 2209 O HOH A 483 -8.422 -28.298 25.801 1.00 31.94 O HETATM 2210 O HOH A 484 2.470 3.067 36.997 1.00 21.94 O HETATM 2211 O HOH A 485 -6.630 -20.513 -4.448 1.00 36.13 O HETATM 2212 O HOH A 486 -20.042 -17.561 11.472 1.00 14.46 O HETATM 2213 O HOH A 487 -2.589 -25.826 25.615 1.00 33.36 O HETATM 2214 O HOH A 488 12.488 -2.906 17.487 1.00 17.25 O HETATM 2215 O HOH A 489 -8.658 -19.552 -4.610 1.00 40.02 O HETATM 2216 O HOH A 490 11.597 -5.097 23.244 1.00 22.20 O HETATM 2217 O HOH A 491 -6.479 -7.299 -2.018 1.00 33.23 O HETATM 2218 O HOH A 492 -6.347 -6.496 37.412 1.00 30.31 O HETATM 2219 O HOH A 493 -1.987 -11.051 29.256 1.00 31.92 O HETATM 2220 O HOH A 494 12.522 -1.121 22.705 1.00 24.48 O HETATM 2221 O HOH A 495 -16.030 -30.766 14.279 1.00 22.49 O HETATM 2222 O HOH A 496 -3.358 -9.714 33.153 1.00 37.56 O HETATM 2223 O HOH A 497 -16.068 -13.100 23.942 1.00 34.48 O HETATM 2224 O HOH A 498 0.570 3.638 35.014 1.00 38.89 O HETATM 2225 O HOH A 499 -11.997 -32.824 24.608 1.00 32.66 O HETATM 2226 O HOH A 500 -18.611 -28.701 5.098 1.00 45.04 O HETATM 2227 O HOH A 501 -20.756 -8.387 1.929 1.00 23.29 O HETATM 2228 O HOH A 502 10.965 -22.148 19.985 1.00 32.79 O HETATM 2229 O HOH A 503 -19.717 -27.302 23.341 1.00 19.53 O HETATM 2230 O HOH A 504 12.543 -16.410 14.524 1.00 25.50 O HETATM 2231 O HOH A 505 13.290 -5.551 17.132 1.00 27.90 O HETATM 2232 O HOH A 506 -6.752 -6.526 0.887 1.00 30.81 O HETATM 2233 O HOH A 507 9.061 -15.831 7.763 1.00 37.23 O HETATM 2234 O HOH A 508 -8.722 -13.564 25.353 1.00 25.56 O HETATM 2235 O HOH A 509 -7.509 2.870 24.852 1.00 37.42 O HETATM 2236 O HOH A 510 -16.890 -6.923 18.710 1.00 37.85 O HETATM 2237 O HOH A 511 -16.325 -24.051 2.848 1.00 21.31 O HETATM 2238 O HOH A 512 -0.359 1.388 30.367 1.00 25.43 O HETATM 2239 O HOH A 513 10.199 -18.801 25.153 1.00 33.44 O HETATM 2240 O HOH A 514 -6.487 -1.778 3.494 1.00 19.68 O HETATM 2241 O HOH A 515 12.340 -19.478 17.790 1.00 26.36 O HETATM 2242 O HOH A 516 -4.887 0.159 4.059 1.00 30.27 O HETATM 2243 O HOH A 517 8.789 -10.586 8.995 1.00 31.37 O HETATM 2244 O HOH A 518 -10.160 -32.007 26.021 1.00 41.80 O HETATM 2245 O HOH A 519 -11.107 -23.340 4.068 1.00 20.39 O HETATM 2246 O HOH A 520 -13.220 -27.034 9.723 1.00 23.53 O HETATM 2247 O HOH A 521 11.995 -19.451 20.910 1.00 28.44 O HETATM 2248 O HOH A 522 -4.490 -7.517 2.358 1.00 13.80 O HETATM 2249 O HOH A 523 -11.281 1.661 21.550 1.00 26.63 O HETATM 2250 O HOH A 524 -8.965 -16.222 -2.164 1.00 32.18 O HETATM 2251 O HOH A 525 -14.351 -5.180 -0.570 1.00 39.08 O HETATM 2252 O HOH A 526 12.502 -11.762 21.244 1.00 33.03 O HETATM 2253 O HOH A 527 -18.500 -14.446 18.271 1.00 33.80 O HETATM 2254 O HOH A 528 -10.168 -2.592 1.618 1.00 36.92 O HETATM 2255 O HOH A 529 11.204 -9.124 8.085 1.00 22.46 O HETATM 2256 O HOH A 530 -4.625 1.603 27.079 1.00 38.46 O HETATM 2257 O HOH A 531 -19.373 -5.707 9.772 1.00 14.43 O HETATM 2258 O HOH A 532 6.118 -16.196 6.043 1.00 38.99 O HETATM 2259 O HOH A 533 -11.419 -34.409 22.064 1.00 24.65 O HETATM 2260 O HOH A 534 -20.108 -13.315 25.846 1.00 37.43 O HETATM 2261 O HOH A 535 4.091 -13.619 26.971 1.00 26.52 O HETATM 2262 O HOH A 536 8.355 -17.212 26.090 1.00 35.25 O HETATM 2263 O HOH A 537 1.752 -13.339 28.621 1.00 36.22 O HETATM 2264 O HOH A 538 -17.659 -7.758 -0.549 1.00 22.71 O HETATM 2265 O HOH A 539 4.161 -15.992 25.425 1.00 29.17 O HETATM 2266 O HOH A 540 5.228 -24.641 24.969 1.00 30.74 O HETATM 2267 O HOH A 541 -22.998 -21.747 8.252 1.00 33.63 O HETATM 2268 O HOH A 542 7.687 -21.602 6.460 1.00 41.65 O HETATM 2269 O HOH A 543 -13.630 -25.330 7.543 1.00 22.90 O HETATM 2270 O HOH A 544 6.771 -8.277 9.804 1.00 28.30 O HETATM 2271 O HOH A 545 -8.412 -2.405 33.309 1.00 28.12 O HETATM 2272 O HOH A 546 14.455 -10.015 17.609 1.00 28.23 O HETATM 2273 O HOH A 547 -18.776 -5.368 14.639 1.00 18.33 O HETATM 2274 O HOH A 548 6.372 -16.525 24.169 1.00 23.98 O HETATM 2275 O HOH A 549 -18.900 -12.540 23.920 1.00 36.43 O HETATM 2276 O HOH A 550 -6.375 -12.894 27.107 1.00 38.71 O HETATM 2277 O HOH A 551 5.721 -13.558 7.223 1.00 19.58 O HETATM 2278 O HOH A 552 -7.256 -16.669 -3.014 1.00 33.87 O HETATM 2279 O HOH A 553 -8.962 -0.164 2.815 1.00 28.05 O HETATM 2280 O HOH A 554 -10.590 -18.818 -6.478 1.00 36.66 O HETATM 2281 O HOH A 555 -8.776 -0.334 30.234 1.00 39.90 O HETATM 2282 O HOH A 556 -14.986 -26.294 5.600 1.00 21.36 O HETATM 2283 O HOH A 557 6.528 -13.729 27.937 1.00 28.57 O HETATM 2284 O HOH A 558 -16.680 -5.755 2.426 1.00 32.11 O HETATM 2285 O HOH A 559 -14.393 -29.646 5.936 1.00 30.12 O HETATM 2286 O HOH A 560 -12.820 -25.487 4.293 1.00 26.48 O HETATM 2287 O HOH A 561 10.653 -13.079 27.485 1.00 30.80 O HETATM 2288 O HOH A 562 6.695 -19.273 27.402 1.00 43.30 O HETATM 2289 O HOH A 563 7.401 -11.542 6.602 1.00 34.62 O CONECT 102 1990 CONECT 487 1795 CONECT 1038 1245 CONECT 1188 1434 CONECT 1245 1038 CONECT 1434 1188 CONECT 1795 487 CONECT 1990 102 CONECT 2020 2021 2022 2023 CONECT 2021 2020 CONECT 2022 2020 CONECT 2023 2020 2024 2025 2026 CONECT 2024 2023 CONECT 2025 2023 CONECT 2026 2023 MASTER 324 0 1 8 3 0 0 6 1296 1 15 10 END If you find results from this site helpful for your research, please cite one of our 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