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*** Sonic ***elNémo ID: 2405231940243058704Job options:ID = 2405231940243058704 JOBID = Sonic USERID = SHH 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 Sonic HEADER SIGNALLING PROTEIN 03-OCT-95 1VHH TITLE A POTENTIAL CATALYTIC SITE WITHIN THE AMINO-TERMINAL SIGNALLING DOMAIN TITLE 2 OF SONIC HEDGEHOG COMPND MOL_ID: 1; COMPND 2 MOLECULE: SONIC HEDGEHOG; COMPND 3 CHAIN: A; COMPND 4 SYNONYM: HHG-1, VHH-1; COMPND 5 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS; SOURCE 3 ORGANISM_COMMON: HOUSE MOUSE; SOURCE 4 ORGANISM_TAXID: 10090; SOURCE 5 GENE: POTENTIAL; SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 7 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 8 EXPRESSION_SYSTEM_PLASMID: PGEX2T KEYWDS SIGNALLING PROTEIN EXPDTA X-RAY DIFFRACTION AUTHOR T.M.T.HALL,J.A.PORTER,P.A.BEACHY,D.J.LEAHY REVDAT 4 14-FEB-24 1VHH 1 REMARK LINK REVDAT 3 24-FEB-09 1VHH 1 VERSN REVDAT 2 01-APR-03 1VHH 1 JRNL REVDAT 1 29-JAN-96 1VHH 0 JRNL AUTH T.M.HALL,J.A.PORTER,P.A.BEACHY,D.J.LEAHY JRNL TITL A POTENTIAL CATALYTIC SITE REVEALED BY THE 1.7-A CRYSTAL JRNL TITL 2 STRUCTURE OF THE AMINO-TERMINAL SIGNALLING DOMAIN OF SONIC JRNL TITL 3 HEDGEHOG. JRNL REF NATURE V. 378 212 1995 JRNL REFN ISSN 0028-0836 JRNL PMID 7477329 JRNL DOI 10.1038/378212A0 REMARK 2 REMARK 2 RESOLUTION. 1.70 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : X-PLOR 3.1 REMARK 3 AUTHORS : BRUNGER REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 1.70 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 6.00 REMARK 3 DATA CUTOFF (SIGMA(F)) : 2.000 REMARK 3 DATA CUTOFF HIGH (ABS(F)) : NULL REMARK 3 DATA CUTOFF LOW (ABS(F)) : NULL REMARK 3 COMPLETENESS (WORKING+TEST) (%) : 83.4 REMARK 3 NUMBER OF REFLECTIONS : 14783 REMARK 3 REMARK 3 FIT TO DATA USED IN REFINEMENT. REMARK 3 CROSS-VALIDATION METHOD : NULL REMARK 3 FREE R VALUE TEST SET SELECTION : NULL REMARK 3 R VALUE (WORKING SET) : 0.191 REMARK 3 FREE R VALUE : 0.261 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 5.000 REMARK 3 FREE R VALUE TEST SET COUNT : NULL REMARK 3 ESTIMATED ERROR OF FREE R VALUE : NULL REMARK 3 REMARK 3 FIT IN THE HIGHEST RESOLUTION BIN. REMARK 3 TOTAL NUMBER OF BINS USED : NULL REMARK 3 BIN RESOLUTION RANGE HIGH (A) : NULL REMARK 3 BIN RESOLUTION RANGE LOW (A) : NULL REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : NULL REMARK 3 REFLECTIONS IN BIN (WORKING SET) : NULL REMARK 3 BIN R VALUE (WORKING SET) : NULL REMARK 3 BIN FREE R VALUE : NULL REMARK 3 BIN FREE R VALUE TEST SET SIZE (%) : NULL REMARK 3 BIN FREE R VALUE TEST SET COUNT : NULL REMARK 3 ESTIMATED ERROR OF BIN FREE R VALUE : NULL REMARK 3 REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. REMARK 3 PROTEIN ATOMS : 1256 REMARK 3 NUCLEIC ACID ATOMS : 0 REMARK 3 HETEROGEN ATOMS : 6 REMARK 3 SOLVENT ATOMS : 120 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : NULL REMARK 3 MEAN B VALUE (OVERALL, A**2) : 10.53 REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : NULL REMARK 3 B22 (A**2) : NULL REMARK 3 B33 (A**2) : NULL REMARK 3 B12 (A**2) : NULL REMARK 3 B13 (A**2) : NULL REMARK 3 B23 (A**2) : NULL REMARK 3 REMARK 3 ESTIMATED COORDINATE ERROR. REMARK 3 ESD FROM LUZZATI PLOT (A) : NULL REMARK 3 ESD FROM SIGMAA (A) : NULL REMARK 3 LOW RESOLUTION CUTOFF (A) : NULL REMARK 3 REMARK 3 CROSS-VALIDATED ESTIMATED COORDINATE ERROR. REMARK 3 ESD FROM C-V LUZZATI PLOT (A) : NULL REMARK 3 ESD FROM C-V SIGMAA (A) : NULL REMARK 3 REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES. REMARK 3 BOND LENGTHS (A) : 0.009 REMARK 3 BOND ANGLES (DEGREES) : 1.968 REMARK 3 DIHEDRAL ANGLES (DEGREES) : 22.42 REMARK 3 IMPROPER ANGLES (DEGREES) : 1.385 REMARK 3 REMARK 3 ISOTROPIC THERMAL MODEL : NULL REMARK 3 REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS. RMS SIGMA REMARK 3 MAIN-CHAIN BOND (A**2) : NULL ; NULL REMARK 3 MAIN-CHAIN ANGLE (A**2) : NULL ; NULL REMARK 3 SIDE-CHAIN BOND (A**2) : NULL ; NULL REMARK 3 SIDE-CHAIN ANGLE (A**2) : NULL ; NULL REMARK 3 REMARK 3 NCS MODEL : NULL REMARK 3 REMARK 3 NCS RESTRAINTS. RMS SIGMA/WEIGHT REMARK 3 GROUP 1 POSITIONAL (A) : NULL ; NULL REMARK 3 GROUP 1 B-FACTOR (A**2) : NULL ; NULL REMARK 3 REMARK 3 PARAMETER FILE 1 : NULL REMARK 3 TOPOLOGY FILE 1 : NULL REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 1VHH COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY BNL. REMARK 100 THE DEPOSITION ID IS D_1000177035. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : 06-JAN-95 REMARK 200 TEMPERATURE (KELVIN) : NULL REMARK 200 PH : NULL REMARK 200 NUMBER OF CRYSTALS USED : 1 REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : Y REMARK 200 RADIATION SOURCE : NSLS REMARK 200 BEAMLINE : X4A REMARK 200 X-RAY GENERATOR MODEL : NULL REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M REMARK 200 WAVELENGTH OR RANGE (A) : 0.9686, 0.9792, 0.9793, 0.9879 REMARK 200 MONOCHROMATOR : NULL REMARK 200 OPTICS : NULL REMARK 200 REMARK 200 DETECTOR TYPE : IMAGE PLATE REMARK 200 DETECTOR MANUFACTURER : FUJI REMARK 200 INTENSITY-INTEGRATION SOFTWARE : DENZO REMARK 200 DATA SCALING SOFTWARE : NULL REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 14968 REMARK 200 RESOLUTION RANGE HIGH (A) : 1.700 REMARK 200 RESOLUTION RANGE LOW (A) : 30.000 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : NULL REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 86.4 REMARK 200 DATA REDUNDANCY : 6.700 REMARK 200 R MERGE (I) : 0.08000 REMARK 200 R SYM (I) : NULL REMARK 200 FOR THE DATA SET : NULL REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : NULL REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : NULL REMARK 200 COMPLETENESS FOR SHELL (%) : NULL REMARK 200 DATA REDUNDANCY IN SHELL : NULL REMARK 200 R MERGE FOR SHELL (I) : NULL REMARK 200 R SYM FOR SHELL (I) : NULL REMARK 200 FOR SHELL : NULL REMARK 200 REMARK 200 DIFFRACTION PROTOCOL: MAD REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: NULL REMARK 200 SOFTWARE USED: X-PLOR 3.1 REMARK 200 STARTING MODEL: NULL REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 39.22 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.02 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: NULL 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 26.85000 REMARK 290 SMTRY2 2 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 17.70000 REMARK 290 SMTRY1 3 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 3 0.000000 1.000000 0.000000 39.50000 REMARK 290 SMTRY3 3 0.000000 0.000000 -1.000000 17.70000 REMARK 290 SMTRY1 4 1.000000 0.000000 0.000000 26.85000 REMARK 290 SMTRY2 4 0.000000 -1.000000 0.000000 39.50000 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 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 450 REMARK 450 SOURCE REMARK 450 THE AMINO-TERMINAL DOMAIN OF MURINE SONIC HEDGEHOG WAS REMARK 450 EXPRESSED AS A GLUTATHIONE S-TRANSFERASE FUSION PROTEIN REMARK 450 USING THE PGEX2T VECTOR. THE FUSION PROTEIN WAS CLEAVED REMARK 450 WITH THROMBIN TO RELEASE THE SONIC HEDGEHOG FRAGMENT. REMARK 465 REMARK 465 MISSING RESIDUES REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE REMARK 465 EXPERIMENT. (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 465 IDENTIFIER; SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.) REMARK 465 REMARK 465 M RES C SSSEQI REMARK 465 ARG A 34 REMARK 465 ARG A 35 REMARK 465 HIS A 36 REMARK 465 PRO A 37 REMARK 465 LYS A 38 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 HE2 HIS A 141 ZN ZN A 400 1.12 REMARK 500 HD1 HIS A 183 ZN ZN A 400 1.20 REMARK 500 O ARG A 62 HH22 ARG A 145 1.58 REMARK 500 O HOH A 233 H1 HOH A 235 1.58 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 LYS A 46 -2.78 75.49 REMARK 500 ALA A 59 -118.25 -104.31 REMARK 500 REMARK 500 REMARK: NULL REMARK 620 REMARK 620 METAL COORDINATION REMARK 620 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 620 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE): REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 ZN A 400 ZN REMARK 620 N RES CSSEQI ATOM REMARK 620 1 HIS A 141 NE2 REMARK 620 2 ASP A 148 OD1 106.0 REMARK 620 3 HIS A 183 ND1 112.0 112.2 REMARK 620 4 HOH A 201 O 111.1 116.3 99.3 REMARK 620 N 1 2 3 REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: ZN1 REMARK 800 EVIDENCE_CODE: UNKNOWN REMARK 800 SITE_DESCRIPTION: NULL REMARK 800 REMARK 800 SITE_IDENTIFIER: AC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE ZN A 400 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC2 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE SO4 A 401 DBREF 1VHH A 34 195 UNP Q62226 SHH_MOUSE 34 195 SEQRES 1 A 162 ARG ARG HIS PRO LYS LYS LEU THR PRO LEU ALA TYR LYS SEQRES 2 A 162 GLN PHE ILE PRO ASN VAL ALA GLU LYS THR LEU GLY ALA SEQRES 3 A 162 SER GLY ARG TYR GLU GLY LYS ILE THR ARG ASN SER GLU SEQRES 4 A 162 ARG PHE LYS GLU LEU THR PRO ASN TYR ASN PRO ASP ILE SEQRES 5 A 162 ILE PHE LYS ASP GLU GLU ASN THR GLY ALA ASP ARG LEU SEQRES 6 A 162 MET THR GLN ARG CYS LYS ASP LYS LEU ASN ALA LEU ALA SEQRES 7 A 162 ILE SER VAL MET ASN GLN TRP PRO GLY VAL LYS LEU ARG SEQRES 8 A 162 VAL THR GLU GLY TRP ASP GLU ASP GLY HIS HIS SER GLU SEQRES 9 A 162 GLU SER LEU HIS TYR GLU GLY ARG ALA VAL ASP ILE THR SEQRES 10 A 162 THR SER ASP ARG ASP ARG SER LYS TYR GLY MET LEU ALA SEQRES 11 A 162 ARG LEU ALA VAL GLU ALA GLY PHE ASP TRP VAL TYR TYR SEQRES 12 A 162 GLU SER LYS ALA HIS ILE HIS CYS SER VAL LYS ALA GLU SEQRES 13 A 162 ASN SER VAL ALA ALA LYS HET ZN A 400 1 HET SO4 A 401 5 HETNAM ZN ZINC ION HETNAM SO4 SULFATE ION FORMUL 2 ZN ZN 2+ FORMUL 3 SO4 O4 S 2- FORMUL 4 HOH *120(H2 O) HELIX 1 1 GLU A 72 GLU A 76 5 5 HELIX 2 2 ALA A 95 ARG A 97 5 3 HELIX 3 3 GLN A 101 GLN A 117 1 17 HELIX 4 4 LEU A 140 GLU A 143 5 4 HELIX 5 5 ARG A 156 GLU A 168 5 13 HELIX 6 6 GLU A 189 VAL A 192 1 4 SHEET 1 A 5 ILE A 85 PHE A 87 0 SHEET 2 A 5 LEU A 123 GLU A 127 1 N LEU A 123 O ILE A 86 SHEET 3 A 5 ALA A 146 THR A 151 -1 N THR A 150 O ARG A 124 SHEET 4 A 5 ILE A 182 SER A 185 -1 N CYS A 184 O VAL A 147 SHEET 5 A 5 TRP A 173 TYR A 175 -1 N TYR A 175 O HIS A 183 LINK NE2 HIS A 141 ZN ZN A 400 1555 1555 2.06 LINK OD1 ASP A 148 ZN ZN A 400 1555 1555 1.97 LINK ND1 HIS A 183 ZN ZN A 400 1555 1555 2.08 LINK O HOH A 201 ZN ZN A 400 1555 1555 2.05 CISPEP 1 ILE A 49 PRO A 50 0 0.03 SITE 1 ZN1 4 HIS A 141 ASP A 148 HIS A 183 HOH A 201 SITE 1 AC1 6 HIS A 141 ASP A 148 GLU A 177 HIS A 183 SITE 2 AC1 6 LYS A 195 HOH A 201 SITE 1 AC2 8 ARG A 62 LYS A 88 ARG A 124 THR A 126 SITE 2 AC2 8 ARG A 154 ARG A 156 HOH A 221 HOH A 225 CRYST1 53.700 79.000 35.400 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 0.018622 0.000000 0.000000 0.00000 SCALE2 0.000000 0.012658 0.000000 0.00000 SCALE3 0.000000 0.000000 0.028249 0.00000 ATOM 1 N LYS A 39 28.854 -7.163 27.561 1.00 44.02 N ATOM 2 CA LYS A 39 29.824 -6.722 26.528 1.00 43.32 C ATOM 3 C LYS A 39 29.602 -5.231 26.247 1.00 44.24 C ATOM 4 O LYS A 39 30.118 -4.383 26.974 1.00 45.26 O ATOM 5 CB LYS A 39 29.660 -7.562 25.252 1.00 45.40 C ATOM 6 CG LYS A 39 30.954 -7.802 24.475 1.00 48.04 C ATOM 7 CD LYS A 39 31.346 -6.618 23.598 1.00 50.99 C ATOM 8 CE LYS A 39 32.869 -6.508 23.425 1.00 54.79 C ATOM 9 NZ LYS A 39 33.517 -7.722 22.837 1.00 54.94 N ATOM 10 HZ1 LYS A 39 33.353 -8.558 23.435 1.00 0.00 H ATOM 11 HZ2 LYS A 39 33.147 -7.896 21.882 1.00 0.00 H ATOM 12 HZ3 LYS A 39 34.543 -7.550 22.785 1.00 0.00 H ATOM 13 N LEU A 40 28.784 -4.920 25.242 1.00 42.03 N ATOM 14 CA LEU A 40 28.504 -3.533 24.866 1.00 36.19 C ATOM 15 C LEU A 40 27.457 -2.897 25.763 1.00 31.90 C ATOM 16 O LEU A 40 26.306 -3.349 25.793 1.00 31.58 O ATOM 17 CB LEU A 40 28.005 -3.470 23.422 1.00 38.35 C ATOM 18 CG LEU A 40 28.893 -3.974 22.286 1.00 39.24 C ATOM 19 CD1 LEU A 40 28.138 -3.839 20.980 1.00 41.83 C ATOM 20 CD2 LEU A 40 30.191 -3.179 22.234 1.00 41.95 C ATOM 21 H LEU A 40 28.310 -5.588 24.707 1.00 0.00 H ATOM 22 N THR A 41 27.850 -1.883 26.527 1.00 25.08 N ATOM 23 CA THR A 41 26.879 -1.215 27.381 1.00 24.48 C ATOM 24 C THR A 41 26.492 0.095 26.735 1.00 20.23 C ATOM 25 O THR A 41 27.349 0.881 26.326 1.00 18.17 O ATOM 26 CB THR A 41 27.389 -0.931 28.822 1.00 24.54 C ATOM 27 OG1 THR A 41 28.530 -0.066 28.775 1.00 33.52 O ATOM 28 CG2 THR A 41 27.723 -2.226 29.555 1.00 23.57 C ATOM 29 H THR A 41 28.776 -1.567 26.540 1.00 0.00 H ATOM 30 HG1 THR A 41 28.294 0.795 28.402 1.00 0.00 H ATOM 31 N PRO A 42 25.189 0.346 26.626 1.00 18.30 N ATOM 32 CA PRO A 42 24.672 1.570 26.025 1.00 17.07 C ATOM 33 C PRO A 42 25.055 2.798 26.838 1.00 17.22 C ATOM 34 O PRO A 42 25.427 2.683 28.007 1.00 18.96 O ATOM 35 CB PRO A 42 23.162 1.334 26.052 1.00 17.52 C ATOM 36 CG PRO A 42 22.978 0.463 27.221 1.00 19.09 C ATOM 37 CD PRO A 42 24.090 -0.517 27.081 1.00 17.94 C ATOM 38 N LEU A 43 25.033 3.968 26.211 1.00 12.40 N ATOM 39 CA LEU A 43 25.331 5.177 26.949 1.00 11.17 C ATOM 40 C LEU A 43 23.993 5.578 27.527 1.00 11.71 C ATOM 41 O LEU A 43 22.946 5.192 27.005 1.00 12.53 O ATOM 42 CB LEU A 43 25.808 6.319 26.051 1.00 11.65 C ATOM 43 CG LEU A 43 27.095 6.283 25.215 1.00 13.88 C ATOM 44 CD1 LEU A 43 27.722 7.670 25.263 1.00 8.05 C ATOM 45 CD2 LEU A 43 28.054 5.223 25.642 1.00 13.48 C ATOM 46 H LEU A 43 24.781 4.026 25.270 1.00 0.00 H ATOM 47 N ALA A 44 24.029 6.327 28.615 1.00 11.35 N ATOM 48 CA ALA A 44 22.823 6.816 29.245 1.00 11.91 C ATOM 49 C ALA A 44 22.498 8.151 28.606 1.00 11.21 C ATOM 50 O ALA A 44 23.334 8.755 27.935 1.00 11.79 O ATOM 51 CB ALA A 44 23.051 7.005 30.746 1.00 9.00 C ATOM 52 H ALA A 44 24.887 6.571 29.002 1.00 0.00 H ATOM 53 N TYR A 45 21.265 8.596 28.798 1.00 11.14 N ATOM 54 CA TYR A 45 20.813 9.875 28.289 1.00 11.68 C ATOM 55 C TYR A 45 21.722 10.946 28.896 1.00 15.59 C ATOM 56 O TYR A 45 22.010 10.915 30.108 1.00 15.17 O ATOM 57 CB TYR A 45 19.355 10.093 28.722 1.00 16.28 C ATOM 58 CG TYR A 45 18.750 11.428 28.348 1.00 17.19 C ATOM 59 CD1 TYR A 45 18.849 11.932 27.048 1.00 17.06 C ATOM 60 CD2 TYR A 45 18.074 12.188 29.299 1.00 20.06 C ATOM 61 CE1 TYR A 45 18.289 13.165 26.714 1.00 20.14 C ATOM 62 CE2 TYR A 45 17.511 13.420 28.973 1.00 19.39 C ATOM 63 CZ TYR A 45 17.624 13.901 27.686 1.00 20.57 C ATOM 64 OH TYR A 45 17.086 15.131 27.386 1.00 24.15 O ATOM 65 H TYR A 45 20.641 8.048 29.311 1.00 0.00 H ATOM 66 HH TYR A 45 16.539 15.450 28.115 1.00 0.00 H ATOM 67 N LYS A 46 22.196 11.853 28.033 1.00 14.83 N ATOM 68 CA LYS A 46 23.084 12.968 28.378 1.00 12.18 C ATOM 69 C LYS A 46 24.555 12.585 28.634 1.00 13.15 C ATOM 70 O LYS A 46 25.415 13.447 28.822 1.00 11.10 O ATOM 71 CB LYS A 46 22.505 13.804 29.530 1.00 13.18 C ATOM 72 CG LYS A 46 21.247 14.578 29.167 1.00 9.80 C ATOM 73 CD LYS A 46 21.543 15.582 28.066 1.00 19.17 C ATOM 74 CE LYS A 46 20.329 16.410 27.703 1.00 14.63 C ATOM 75 NZ LYS A 46 20.628 17.337 26.577 1.00 16.71 N ATOM 76 H LYS A 46 21.942 11.761 27.089 1.00 0.00 H ATOM 77 HZ1 LYS A 46 21.437 17.954 26.782 1.00 0.00 H ATOM 78 HZ2 LYS A 46 20.892 16.752 25.754 1.00 0.00 H ATOM 79 HZ3 LYS A 46 19.792 17.886 26.326 1.00 0.00 H ATOM 80 N GLN A 47 24.850 11.295 28.573 1.00 11.26 N ATOM 81 CA GLN A 47 26.202 10.810 28.765 1.00 9.22 C ATOM 82 C GLN A 47 27.002 11.023 27.476 1.00 13.24 C ATOM 83 O GLN A 47 26.449 10.983 26.367 1.00 6.90 O ATOM 84 CB GLN A 47 26.186 9.320 29.115 1.00 6.93 C ATOM 85 CG GLN A 47 27.574 8.722 29.244 1.00 8.17 C ATOM 86 CD GLN A 47 27.587 7.297 29.745 1.00 11.04 C ATOM 87 OE1 GLN A 47 26.580 6.587 29.699 1.00 15.53 O ATOM 88 NE2 GLN A 47 28.740 6.865 30.229 1.00 12.68 N ATOM 89 H GLN A 47 24.152 10.644 28.363 1.00 0.00 H ATOM 90 HE21 GLN A 47 28.788 5.932 30.530 1.00 0.00 H ATOM 91 HE22 GLN A 47 29.496 7.488 30.261 1.00 0.00 H ATOM 92 N PHE A 48 28.298 11.274 27.630 1.00 9.78 N ATOM 93 CA PHE A 48 29.185 11.464 26.492 1.00 10.00 C ATOM 94 C PHE A 48 30.474 10.687 26.733 1.00 11.13 C ATOM 95 O PHE A 48 30.942 10.577 27.868 1.00 9.87 O ATOM 96 CB PHE A 48 29.442 12.957 26.200 1.00 7.60 C ATOM 97 CG PHE A 48 29.841 13.754 27.397 1.00 9.31 C ATOM 98 CD1 PHE A 48 28.877 14.357 28.193 1.00 11.44 C ATOM 99 CD2 PHE A 48 31.182 13.883 27.742 1.00 9.40 C ATOM 100 CE1 PHE A 48 29.243 15.073 29.322 1.00 13.96 C ATOM 101 CE2 PHE A 48 31.560 14.594 28.866 1.00 8.19 C ATOM 102 CZ PHE A 48 30.597 15.189 29.658 1.00 12.56 C ATOM 103 H PHE A 48 28.678 11.325 28.532 1.00 0.00 H ATOM 104 N ILE A 49 30.978 10.064 25.676 1.00 11.19 N ATOM 105 CA ILE A 49 32.193 9.261 25.724 1.00 7.96 C ATOM 106 C ILE A 49 33.145 9.736 24.616 1.00 10.45 C ATOM 107 O ILE A 49 32.749 9.835 23.453 1.00 7.68 O ATOM 108 CB ILE A 49 31.866 7.774 25.499 1.00 8.45 C ATOM 109 CG1 ILE A 49 30.976 7.231 26.616 1.00 8.48 C ATOM 110 CG2 ILE A 49 33.118 6.963 25.358 1.00 6.86 C ATOM 111 CD1 ILE A 49 31.515 7.400 27.991 1.00 17.46 C ATOM 112 H ILE A 49 30.533 10.152 24.811 1.00 0.00 H ATOM 113 N PRO A 50 34.400 10.086 24.971 1.00 10.54 N ATOM 114 CA PRO A 50 34.971 10.063 26.327 1.00 8.35 C ATOM 115 C PRO A 50 34.351 11.125 27.226 1.00 8.65 C ATOM 116 O PRO A 50 33.788 12.101 26.748 1.00 7.93 O ATOM 117 CB PRO A 50 36.463 10.311 26.081 1.00 7.96 C ATOM 118 CG PRO A 50 36.471 11.105 24.801 1.00 11.67 C ATOM 119 CD PRO A 50 35.449 10.359 23.973 1.00 3.96 C ATOM 120 N ASN A 51 34.470 10.932 28.532 1.00 12.61 N ATOM 121 CA ASN A 51 33.883 11.848 29.508 1.00 13.07 C ATOM 122 C ASN A 51 34.634 13.167 29.695 1.00 14.31 C ATOM 123 O ASN A 51 34.991 13.547 30.816 1.00 17.07 O ATOM 124 CB ASN A 51 33.715 11.132 30.854 1.00 13.87 C ATOM 125 CG ASN A 51 32.726 11.830 31.778 1.00 14.22 C ATOM 126 OD1 ASN A 51 32.240 12.932 31.490 1.00 17.28 O ATOM 127 ND2 ASN A 51 32.412 11.184 32.891 1.00 14.84 N ATOM 128 H ASN A 51 34.987 10.163 28.849 1.00 0.00 H ATOM 129 HD21 ASN A 51 31.777 11.595 33.514 1.00 0.00 H ATOM 130 HD22 ASN A 51 32.828 10.311 33.052 1.00 0.00 H ATOM 131 N VAL A 52 34.812 13.897 28.604 1.00 11.67 N ATOM 132 CA VAL A 52 35.509 15.180 28.624 1.00 10.77 C ATOM 133 C VAL A 52 34.772 16.090 27.660 1.00 10.03 C ATOM 134 O VAL A 52 33.908 15.622 26.921 1.00 8.83 O ATOM 135 CB VAL A 52 36.962 15.035 28.154 1.00 10.62 C ATOM 136 CG1 VAL A 52 37.766 14.214 29.166 1.00 15.79 C ATOM 137 CG2 VAL A 52 37.011 14.376 26.777 1.00 11.77 C ATOM 138 H VAL A 52 34.430 13.622 27.743 1.00 0.00 H ATOM 139 N ALA A 53 35.082 17.383 27.685 1.00 8.64 N ATOM 140 CA ALA A 53 34.427 18.321 26.784 1.00 8.20 C ATOM 141 C ALA A 53 34.749 17.939 25.339 1.00 9.37 C ATOM 142 O ALA A 53 35.854 17.476 25.037 1.00 10.07 O ATOM 143 CB ALA A 53 34.865 19.739 27.076 1.00 8.78 C ATOM 144 H ALA A 53 35.767 17.699 28.317 1.00 0.00 H ATOM 145 N GLU A 54 33.796 18.178 24.442 1.00 9.08 N ATOM 146 CA GLU A 54 33.957 17.840 23.037 1.00 4.98 C ATOM 147 C GLU A 54 35.214 18.352 22.336 1.00 3.20 C ATOM 148 O GLU A 54 35.880 17.603 21.633 1.00 2.19 O ATOM 149 CB GLU A 54 32.732 18.288 22.227 1.00 2.63 C ATOM 150 CG GLU A 54 32.839 17.849 20.760 1.00 2.00 C ATOM 151 CD GLU A 54 31.622 18.207 19.917 1.00 3.19 C ATOM 152 OE1 GLU A 54 31.091 19.330 20.028 1.00 3.93 O ATOM 153 OE2 GLU A 54 31.222 17.364 19.101 1.00 4.18 O ATOM 154 H GLU A 54 32.955 18.569 24.744 1.00 0.00 H ATOM 155 N LYS A 55 35.523 19.628 22.526 1.00 6.58 N ATOM 156 CA LYS A 55 36.652 20.269 21.859 1.00 7.49 C ATOM 157 C LYS A 55 38.029 20.039 22.470 1.00 8.48 C ATOM 158 O LYS A 55 39.007 20.686 22.055 1.00 8.95 O ATOM 159 CB LYS A 55 36.407 21.777 21.757 1.00 8.28 C ATOM 160 CG LYS A 55 35.012 22.182 21.280 1.00 18.53 C ATOM 161 CD LYS A 55 34.723 21.761 19.858 1.00 19.47 C ATOM 162 CE LYS A 55 33.485 22.488 19.313 1.00 20.28 C ATOM 163 NZ LYS A 55 32.202 22.104 19.991 1.00 26.89 N ATOM 164 H LYS A 55 34.978 20.141 23.151 1.00 0.00 H ATOM 165 HZ1 LYS A 55 32.012 21.075 19.872 1.00 0.00 H ATOM 166 HZ2 LYS A 55 32.224 22.345 20.991 1.00 0.00 H ATOM 167 HZ3 LYS A 55 31.411 22.622 19.549 1.00 0.00 H ATOM 168 N THR A 56 38.116 19.168 23.472 1.00 8.41 N ATOM 169 CA THR A 56 39.411 18.886 24.092 1.00 10.11 C ATOM 170 C THR A 56 40.194 17.945 23.176 1.00 11.21 C ATOM 171 O THR A 56 39.610 17.184 22.400 1.00 10.08 O ATOM 172 CB THR A 56 39.248 18.268 25.503 1.00 6.33 C ATOM 173 OG1 THR A 56 38.614 16.982 25.417 1.00 7.65 O ATOM 174 CG2 THR A 56 38.406 19.176 26.377 1.00 11.35 C ATOM 175 H THR A 56 37.330 18.672 23.781 1.00 0.00 H ATOM 176 HG1 THR A 56 37.681 17.054 25.164 1.00 0.00 H ATOM 177 N LEU A 57 41.519 17.988 23.256 1.00 12.50 N ATOM 178 CA LEU A 57 42.354 17.144 22.404 1.00 11.51 C ATOM 179 C LEU A 57 42.065 15.649 22.503 1.00 8.62 C ATOM 180 O LEU A 57 42.238 14.903 21.525 1.00 8.78 O ATOM 181 CB LEU A 57 43.838 17.423 22.679 1.00 15.00 C ATOM 182 CG LEU A 57 44.255 18.889 22.491 1.00 16.91 C ATOM 183 CD1 LEU A 57 45.768 19.019 22.662 1.00 14.89 C ATOM 184 CD2 LEU A 57 43.832 19.385 21.103 1.00 16.87 C ATOM 185 H LEU A 57 41.943 18.564 23.928 1.00 0.00 H ATOM 186 N GLY A 58 41.621 15.207 23.673 1.00 8.02 N ATOM 187 CA GLY A 58 41.329 13.795 23.861 1.00 7.57 C ATOM 188 C GLY A 58 40.015 13.368 23.234 1.00 9.57 C ATOM 189 O GLY A 58 39.757 12.171 23.065 1.00 9.55 O ATOM 190 H GLY A 58 41.459 15.818 24.423 1.00 0.00 H ATOM 191 N ALA A 59 39.187 14.354 22.902 1.00 8.66 N ATOM 192 CA ALA A 59 37.883 14.127 22.285 1.00 7.24 C ATOM 193 C ALA A 59 37.990 14.474 20.802 1.00 5.72 C ATOM 194 O ALA A 59 38.788 13.849 20.096 1.00 5.52 O ATOM 195 CB ALA A 59 36.806 14.968 22.987 1.00 8.01 C ATOM 196 H ALA A 59 39.446 15.278 23.088 1.00 0.00 H ATOM 197 N SER A 60 37.231 15.462 20.324 1.00 3.74 N ATOM 198 CA SER A 60 37.282 15.828 18.908 1.00 6.14 C ATOM 199 C SER A 60 38.176 17.009 18.550 1.00 8.45 C ATOM 200 O SER A 60 38.327 17.358 17.375 1.00 8.56 O ATOM 201 CB SER A 60 35.874 16.022 18.346 1.00 4.90 C ATOM 202 OG SER A 60 35.208 14.771 18.332 1.00 4.93 O ATOM 203 H SER A 60 36.623 15.987 20.884 1.00 0.00 H ATOM 204 HG SER A 60 35.322 14.356 19.194 1.00 0.00 H ATOM 205 N GLY A 61 38.810 17.595 19.553 1.00 6.90 N ATOM 206 CA GLY A 61 39.698 18.697 19.284 1.00 5.25 C ATOM 207 C GLY A 61 38.992 19.981 18.946 1.00 10.83 C ATOM 208 O GLY A 61 37.760 20.049 18.884 1.00 9.58 O ATOM 209 H GLY A 61 38.660 17.307 20.476 1.00 0.00 H ATOM 210 N ARG A 62 39.809 20.974 18.621 1.00 6.82 N ATOM 211 CA ARG A 62 39.360 22.315 18.318 1.00 10.72 C ATOM 212 C ARG A 62 38.447 22.497 17.124 1.00 9.50 C ATOM 213 O ARG A 62 38.477 21.722 16.169 1.00 7.66 O ATOM 214 CB ARG A 62 40.575 23.222 18.135 1.00 11.20 C ATOM 215 CG ARG A 62 41.155 23.762 19.408 1.00 12.50 C ATOM 216 CD ARG A 62 41.154 22.762 20.535 1.00 19.48 C ATOM 217 NE ARG A 62 42.271 22.992 21.448 1.00 23.29 N ATOM 218 CZ ARG A 62 42.433 22.356 22.599 1.00 21.78 C ATOM 219 NH1 ARG A 62 41.527 21.460 22.972 1.00 18.46 N ATOM 220 NH2 ARG A 62 43.526 22.569 23.338 1.00 13.16 N ATOM 221 H ARG A 62 40.766 20.776 18.547 1.00 0.00 H ATOM 222 HE ARG A 62 42.888 23.718 21.187 1.00 0.00 H ATOM 223 HH11 ARG A 62 40.722 21.250 22.412 1.00 0.00 H ATOM 224 HH12 ARG A 62 41.661 20.989 23.854 1.00 0.00 H ATOM 225 HH21 ARG A 62 44.261 23.170 23.019 1.00 0.00 H ATOM 226 HH22 ARG A 62 43.724 22.075 24.214 1.00 0.00 H ATOM 227 N TYR A 63 37.618 23.526 17.223 1.00 10.01 N ATOM 228 CA TYR A 63 36.711 23.938 16.167 1.00 11.44 C ATOM 229 C TYR A 63 37.627 24.740 15.230 1.00 12.04 C ATOM 230 O TYR A 63 38.379 25.600 15.684 1.00 11.88 O ATOM 231 CB TYR A 63 35.644 24.839 16.780 1.00 12.57 C ATOM 232 CG TYR A 63 34.856 25.680 15.807 1.00 13.37 C ATOM 233 CD1 TYR A 63 33.867 25.110 15.006 1.00 14.41 C ATOM 234 CD2 TYR A 63 35.067 27.064 15.728 1.00 10.38 C ATOM 235 CE1 TYR A 63 33.093 25.895 14.148 1.00 15.27 C ATOM 236 CE2 TYR A 63 34.304 27.859 14.872 1.00 10.87 C ATOM 237 CZ TYR A 63 33.318 27.266 14.091 1.00 15.64 C ATOM 238 OH TYR A 63 32.550 28.042 13.255 1.00 19.50 O ATOM 239 H TYR A 63 37.623 24.050 18.054 1.00 0.00 H ATOM 240 HH TYR A 63 31.915 27.456 12.829 1.00 0.00 H ATOM 241 N GLU A 64 37.610 24.416 13.945 1.00 15.89 N ATOM 242 CA GLU A 64 38.465 25.082 12.958 1.00 19.43 C ATOM 243 C GLU A 64 37.750 26.199 12.222 1.00 20.85 C ATOM 244 O GLU A 64 38.341 26.893 11.379 1.00 21.76 O ATOM 245 CB GLU A 64 38.952 24.068 11.930 1.00 22.77 C ATOM 246 CG GLU A 64 39.548 22.815 12.517 1.00 30.04 C ATOM 247 CD GLU A 64 41.019 22.945 12.721 1.00 32.18 C ATOM 248 OE1 GLU A 64 41.687 23.507 11.831 1.00 39.50 O ATOM 249 OE2 GLU A 64 41.509 22.540 13.790 1.00 37.58 O ATOM 250 H GLU A 64 37.066 23.686 13.626 1.00 0.00 H ATOM 251 N GLY A 65 36.467 26.350 12.493 1.00 14.72 N ATOM 252 CA GLY A 65 35.732 27.399 11.825 1.00 16.33 C ATOM 253 C GLY A 65 34.696 26.831 10.885 1.00 12.54 C ATOM 254 O GLY A 65 34.792 25.687 10.447 1.00 14.40 O ATOM 255 H GLY A 65 35.998 25.714 13.079 1.00 0.00 H ATOM 256 N LYS A 66 33.708 27.654 10.575 1.00 12.39 N ATOM 257 CA LYS A 66 32.617 27.264 9.700 1.00 11.00 C ATOM 258 C LYS A 66 33.043 27.042 8.256 1.00 11.85 C ATOM 259 O LYS A 66 33.883 27.780 7.712 1.00 9.87 O ATOM 260 CB LYS A 66 31.546 28.355 9.726 1.00 16.00 C ATOM 261 CG LYS A 66 30.161 27.838 9.979 1.00 29.21 C ATOM 262 CD LYS A 66 29.220 28.938 10.412 1.00 35.83 C ATOM 263 CE LYS A 66 28.627 29.659 9.218 1.00 44.60 C ATOM 264 NZ LYS A 66 29.603 30.451 8.400 1.00 48.79 N ATOM 265 H LYS A 66 33.724 28.554 10.956 1.00 0.00 H ATOM 266 HZ1 LYS A 66 30.013 31.223 8.948 1.00 0.00 H ATOM 267 HZ2 LYS A 66 30.318 29.858 7.945 1.00 0.00 H ATOM 268 HZ3 LYS A 66 28.988 30.873 7.660 1.00 0.00 H ATOM 269 N ILE A 67 32.471 26.012 7.647 1.00 7.30 N ATOM 270 CA ILE A 67 32.711 25.739 6.245 1.00 7.97 C ATOM 271 C ILE A 67 31.374 26.048 5.592 1.00 11.80 C ATOM 272 O ILE A 67 30.324 25.650 6.124 1.00 10.53 O ATOM 273 CB ILE A 67 33.029 24.273 5.972 1.00 7.05 C ATOM 274 CG1 ILE A 67 34.362 23.883 6.623 1.00 4.11 C ATOM 275 CG2 ILE A 67 33.044 24.034 4.455 1.00 7.98 C ATOM 276 CD1 ILE A 67 34.742 22.421 6.406 1.00 9.70 C ATOM 277 H ILE A 67 31.839 25.424 8.116 1.00 0.00 H ATOM 278 N THR A 68 31.397 26.835 4.517 1.00 8.39 N ATOM 279 CA THR A 68 30.175 27.176 3.778 1.00 13.17 C ATOM 280 C THR A 68 30.415 26.803 2.317 1.00 13.15 C ATOM 281 O THR A 68 31.570 26.650 1.912 1.00 14.11 O ATOM 282 CB THR A 68 29.819 28.674 3.882 1.00 8.86 C ATOM 283 OG1 THR A 68 30.792 29.449 3.178 1.00 14.17 O ATOM 284 CG2 THR A 68 29.765 29.119 5.340 1.00 5.78 C ATOM 285 H THR A 68 32.248 27.189 4.193 1.00 0.00 H ATOM 286 HG1 THR A 68 30.639 30.377 3.404 1.00 0.00 H ATOM 287 N ARG A 69 29.348 26.636 1.533 1.00 15.46 N ATOM 288 CA ARG A 69 29.482 26.255 0.122 1.00 18.29 C ATOM 289 C ARG A 69 30.398 27.155 -0.683 1.00 23.92 C ATOM 290 O ARG A 69 31.145 26.689 -1.539 1.00 22.47 O ATOM 291 CB ARG A 69 28.122 26.197 -0.565 1.00 20.94 C ATOM 292 CG ARG A 69 27.270 25.093 -0.049 1.00 24.91 C ATOM 293 CD ARG A 69 26.175 24.700 -1.006 1.00 25.95 C ATOM 294 NE ARG A 69 25.329 23.711 -0.352 1.00 24.50 N ATOM 295 CZ ARG A 69 25.324 22.413 -0.625 1.00 19.63 C ATOM 296 NH1 ARG A 69 26.121 21.918 -1.572 1.00 16.87 N ATOM 297 NH2 ARG A 69 24.576 21.599 0.116 1.00 18.47 N ATOM 298 H ARG A 69 28.451 26.755 1.932 1.00 0.00 H ATOM 299 HE ARG A 69 24.745 24.060 0.373 1.00 0.00 H ATOM 300 HH11 ARG A 69 26.751 22.484 -2.126 1.00 0.00 H ATOM 301 HH12 ARG A 69 26.090 20.928 -1.765 1.00 0.00 H ATOM 302 HH21 ARG A 69 24.044 21.993 0.887 1.00 0.00 H ATOM 303 HH22 ARG A 69 24.530 20.614 -0.078 1.00 0.00 H ATOM 304 N ASN A 70 30.339 28.446 -0.383 1.00 27.84 N ATOM 305 CA ASN A 70 31.138 29.455 -1.065 1.00 30.65 C ATOM 306 C ASN A 70 32.564 29.521 -0.538 1.00 30.31 C ATOM 307 O ASN A 70 33.431 30.100 -1.185 1.00 33.72 O ATOM 308 CB ASN A 70 30.499 30.840 -0.894 1.00 35.82 C ATOM 309 CG ASN A 70 29.053 30.765 -0.431 1.00 42.68 C ATOM 310 OD1 ASN A 70 28.125 30.790 -1.247 1.00 46.91 O ATOM 311 ND2 ASN A 70 28.854 30.638 0.883 1.00 39.13 N ATOM 312 H ASN A 70 29.748 28.695 0.356 1.00 0.00 H ATOM 313 HD21 ASN A 70 27.930 30.566 1.184 1.00 0.00 H ATOM 314 HD22 ASN A 70 29.618 30.632 1.504 1.00 0.00 H ATOM 315 N SER A 71 32.815 28.928 0.625 1.00 29.08 N ATOM 316 CA SER A 71 34.141 28.991 1.222 1.00 30.77 C ATOM 317 C SER A 71 35.232 28.117 0.598 1.00 33.04 C ATOM 318 O SER A 71 34.955 27.125 -0.083 1.00 31.37 O ATOM 319 CB SER A 71 34.056 28.729 2.728 1.00 27.88 C ATOM 320 OG SER A 71 33.985 27.348 3.032 1.00 32.64 O ATOM 321 H SER A 71 32.115 28.434 1.091 1.00 0.00 H ATOM 322 HG SER A 71 33.291 26.939 2.495 1.00 0.00 H ATOM 323 N GLU A 72 36.479 28.486 0.885 1.00 36.95 N ATOM 324 CA GLU A 72 37.657 27.769 0.406 1.00 38.61 C ATOM 325 C GLU A 72 37.668 26.383 1.039 1.00 36.26 C ATOM 326 O GLU A 72 38.090 25.405 0.419 1.00 38.49 O ATOM 327 CB GLU A 72 38.941 28.502 0.833 1.00 40.06 C ATOM 328 CG GLU A 72 39.011 29.976 0.440 1.00 46.04 C ATOM 329 CD GLU A 72 40.116 30.755 1.170 1.00 47.24 C ATOM 330 OE1 GLU A 72 40.507 30.359 2.297 1.00 48.49 O ATOM 331 OE2 GLU A 72 40.571 31.787 0.626 1.00 44.59 O ATOM 332 H GLU A 72 36.616 29.294 1.421 1.00 0.00 H ATOM 333 N ARG A 73 37.189 26.307 2.277 1.00 31.31 N ATOM 334 CA ARG A 73 37.173 25.055 3.016 1.00 24.90 C ATOM 335 C ARG A 73 36.200 24.020 2.473 1.00 18.00 C ATOM 336 O ARG A 73 36.288 22.863 2.856 1.00 18.13 O ATOM 337 CB ARG A 73 36.834 25.296 4.491 1.00 29.20 C ATOM 338 CG ARG A 73 37.653 26.353 5.226 1.00 30.57 C ATOM 339 CD ARG A 73 38.716 25.765 6.153 1.00 32.00 C ATOM 340 NE ARG A 73 38.291 24.583 6.914 1.00 34.00 N ATOM 341 CZ ARG A 73 37.586 24.582 8.049 1.00 33.20 C ATOM 342 NH1 ARG A 73 37.177 25.720 8.602 1.00 27.14 N ATOM 343 NH2 ARG A 73 37.316 23.423 8.650 1.00 33.06 N ATOM 344 H ARG A 73 36.824 27.108 2.700 1.00 0.00 H ATOM 345 HE ARG A 73 38.566 23.716 6.525 1.00 0.00 H ATOM 346 HH11 ARG A 73 37.320 26.602 8.167 1.00 0.00 H ATOM 347 HH12 ARG A 73 36.609 25.682 9.437 1.00 0.00 H ATOM 348 HH21 ARG A 73 37.646 22.569 8.214 1.00 0.00 H ATOM 349 HH22 ARG A 73 36.793 23.304 9.514 1.00 0.00 H ATOM 350 N PHE A 74 35.279 24.417 1.597 1.00 17.73 N ATOM 351 CA PHE A 74 34.281 23.474 1.062 1.00 18.71 C ATOM 352 C PHE A 74 34.918 22.214 0.471 1.00 22.36 C ATOM 353 O PHE A 74 34.370 21.106 0.585 1.00 18.27 O ATOM 354 CB PHE A 74 33.370 24.142 0.033 1.00 15.10 C ATOM 355 CG PHE A 74 32.221 23.278 -0.410 1.00 17.42 C ATOM 356 CD1 PHE A 74 31.231 22.894 0.492 1.00 16.60 C ATOM 357 CD2 PHE A 74 32.131 22.834 -1.724 1.00 17.96 C ATOM 358 CE1 PHE A 74 30.174 22.082 0.092 1.00 17.47 C ATOM 359 CE2 PHE A 74 31.075 22.022 -2.132 1.00 18.41 C ATOM 360 CZ PHE A 74 30.096 21.645 -1.223 1.00 18.03 C ATOM 361 H PHE A 74 35.254 25.348 1.285 1.00 0.00 H ATOM 362 N LYS A 75 36.099 22.395 -0.119 1.00 24.89 N ATOM 363 CA LYS A 75 36.879 21.314 -0.722 1.00 24.68 C ATOM 364 C LYS A 75 37.127 20.184 0.280 1.00 22.90 C ATOM 365 O LYS A 75 37.331 19.034 -0.108 1.00 24.66 O ATOM 366 CB LYS A 75 38.220 21.870 -1.184 1.00 27.68 C ATOM 367 CG LYS A 75 38.092 22.966 -2.210 1.00 33.08 C ATOM 368 CD LYS A 75 39.228 23.980 -2.090 1.00 38.33 C ATOM 369 CE LYS A 75 40.589 23.332 -2.143 1.00 38.49 C ATOM 370 NZ LYS A 75 41.679 24.343 -2.070 1.00 41.97 N ATOM 371 H LYS A 75 36.454 23.308 -0.140 1.00 0.00 H ATOM 372 HZ1 LYS A 75 41.638 24.894 -1.193 1.00 0.00 H ATOM 373 HZ2 LYS A 75 42.591 23.832 -2.072 1.00 0.00 H ATOM 374 HZ3 LYS A 75 41.707 24.969 -2.900 1.00 0.00 H ATOM 375 N GLU A 76 37.130 20.530 1.562 1.00 19.65 N ATOM 376 CA GLU A 76 37.343 19.567 2.631 1.00 21.95 C ATOM 377 C GLU A 76 36.214 18.562 2.810 1.00 18.58 C ATOM 378 O GLU A 76 36.405 17.517 3.445 1.00 18.32 O ATOM 379 CB GLU A 76 37.574 20.306 3.949 1.00 26.73 C ATOM 380 CG GLU A 76 38.904 21.040 3.996 1.00 35.66 C ATOM 381 CD GLU A 76 39.017 22.004 5.152 1.00 39.18 C ATOM 382 OE1 GLU A 76 38.394 21.773 6.218 1.00 36.79 O ATOM 383 OE2 GLU A 76 39.733 23.017 4.989 1.00 45.01 O ATOM 384 H GLU A 76 37.012 21.461 1.829 1.00 0.00 H ATOM 385 N LEU A 77 35.033 18.880 2.283 1.00 14.98 N ATOM 386 CA LEU A 77 33.882 17.986 2.427 1.00 12.01 C ATOM 387 C LEU A 77 33.658 17.148 1.179 1.00 10.61 C ATOM 388 O LEU A 77 33.843 17.629 0.056 1.00 10.29 O ATOM 389 CB LEU A 77 32.598 18.790 2.733 1.00 8.71 C ATOM 390 CG LEU A 77 32.638 19.774 3.915 1.00 14.31 C ATOM 391 CD1 LEU A 77 31.330 20.521 4.058 1.00 10.62 C ATOM 392 CD2 LEU A 77 32.950 19.035 5.181 1.00 9.71 C ATOM 393 H LEU A 77 34.936 19.704 1.772 1.00 0.00 H ATOM 394 N THR A 78 33.296 15.889 1.393 1.00 10.14 N ATOM 395 CA THR A 78 32.978 14.959 0.313 1.00 17.43 C ATOM 396 C THR A 78 31.656 14.318 0.675 1.00 15.30 C ATOM 397 O THR A 78 31.387 14.050 1.856 1.00 14.78 O ATOM 398 CB THR A 78 34.025 13.843 0.120 1.00 16.04 C ATOM 399 OG1 THR A 78 34.523 13.406 1.393 1.00 29.17 O ATOM 400 CG2 THR A 78 35.177 14.350 -0.754 1.00 25.68 C ATOM 401 H THR A 78 33.252 15.541 2.314 1.00 0.00 H ATOM 402 HG1 THR A 78 33.825 13.366 2.060 1.00 0.00 H ATOM 403 N PRO A 79 30.790 14.109 -0.326 1.00 15.76 N ATOM 404 CA PRO A 79 29.482 13.500 -0.086 1.00 13.43 C ATOM 405 C PRO A 79 29.601 12.019 0.250 1.00 12.85 C ATOM 406 O PRO A 79 30.447 11.317 -0.308 1.00 14.58 O ATOM 407 CB PRO A 79 28.752 13.703 -1.422 1.00 13.04 C ATOM 408 CG PRO A 79 29.475 14.813 -2.074 1.00 15.97 C ATOM 409 CD PRO A 79 30.908 14.562 -1.721 1.00 15.23 C ATOM 410 N ASN A 80 28.797 11.569 1.209 1.00 9.93 N ATOM 411 CA ASN A 80 28.767 10.162 1.596 1.00 11.56 C ATOM 412 C ASN A 80 27.501 9.565 0.962 1.00 11.82 C ATOM 413 O ASN A 80 26.377 9.982 1.272 1.00 9.16 O ATOM 414 CB ASN A 80 28.718 10.025 3.123 1.00 9.23 C ATOM 415 CG ASN A 80 28.937 8.595 3.598 1.00 10.83 C ATOM 416 OD1 ASN A 80 29.520 8.370 4.651 1.00 11.54 O ATOM 417 ND2 ASN A 80 28.498 7.628 2.814 1.00 9.42 N ATOM 418 H ASN A 80 28.217 12.203 1.684 1.00 0.00 H ATOM 419 HD21 ASN A 80 28.681 6.756 3.231 1.00 0.00 H ATOM 420 HD22 ASN A 80 28.064 7.752 1.975 1.00 0.00 H ATOM 421 N TYR A 81 27.694 8.629 0.033 1.00 13.38 N ATOM 422 CA TYR A 81 26.572 7.975 -0.637 1.00 12.72 C ATOM 423 C TYR A 81 26.433 6.496 -0.281 1.00 14.42 C ATOM 424 O TYR A 81 25.902 5.706 -1.068 1.00 18.55 O ATOM 425 CB TYR A 81 26.664 8.156 -2.154 1.00 9.16 C ATOM 426 CG TYR A 81 26.218 9.513 -2.587 1.00 13.39 C ATOM 427 CD1 TYR A 81 24.866 9.838 -2.638 1.00 11.46 C ATOM 428 CD2 TYR A 81 27.150 10.499 -2.906 1.00 15.71 C ATOM 429 CE1 TYR A 81 24.456 11.112 -2.992 1.00 11.13 C ATOM 430 CE2 TYR A 81 26.748 11.778 -3.257 1.00 15.22 C ATOM 431 CZ TYR A 81 25.406 12.081 -3.296 1.00 16.97 C ATOM 432 OH TYR A 81 25.030 13.375 -3.603 1.00 26.22 O ATOM 433 H TYR A 81 28.607 8.386 -0.235 1.00 0.00 H ATOM 434 HH TYR A 81 24.072 13.448 -3.442 1.00 0.00 H ATOM 435 N ASN A 82 26.857 6.143 0.933 1.00 11.92 N ATOM 436 CA ASN A 82 26.771 4.771 1.428 1.00 11.90 C ATOM 437 C ASN A 82 25.313 4.348 1.345 1.00 13.39 C ATOM 438 O ASN A 82 24.437 5.015 1.903 1.00 11.19 O ATOM 439 CB ASN A 82 27.214 4.706 2.895 1.00 9.64 C ATOM 440 CG ASN A 82 27.411 3.285 3.391 1.00 7.91 C ATOM 441 OD1 ASN A 82 26.747 2.335 2.947 1.00 8.91 O ATOM 442 ND2 ASN A 82 28.335 3.129 4.322 1.00 10.76 N ATOM 443 H ASN A 82 27.143 6.826 1.547 1.00 0.00 H ATOM 444 HD21 ASN A 82 28.519 2.228 4.665 1.00 0.00 H ATOM 445 HD22 ASN A 82 28.819 3.920 4.650 1.00 0.00 H ATOM 446 N PRO A 83 25.030 3.271 0.597 1.00 13.54 N ATOM 447 CA PRO A 83 23.652 2.800 0.472 1.00 15.32 C ATOM 448 C PRO A 83 23.078 2.290 1.797 1.00 10.40 C ATOM 449 O PRO A 83 21.860 2.191 1.950 1.00 10.04 O ATOM 450 CB PRO A 83 23.763 1.696 -0.580 1.00 16.21 C ATOM 451 CG PRO A 83 25.172 1.223 -0.464 1.00 18.17 C ATOM 452 CD PRO A 83 25.933 2.501 -0.279 1.00 16.28 C ATOM 453 N ASP A 84 23.950 1.970 2.749 1.00 9.76 N ATOM 454 CA ASP A 84 23.497 1.485 4.047 1.00 10.58 C ATOM 455 C ASP A 84 23.232 2.574 5.084 1.00 10.57 C ATOM 456 O ASP A 84 23.123 2.280 6.272 1.00 12.03 O ATOM 457 CB ASP A 84 24.467 0.446 4.604 1.00 13.49 C ATOM 458 CG ASP A 84 24.503 -0.825 3.774 1.00 19.46 C ATOM 459 OD1 ASP A 84 23.454 -1.214 3.209 1.00 16.94 O ATOM 460 OD2 ASP A 84 25.588 -1.440 3.693 1.00 21.81 O ATOM 461 H ASP A 84 24.912 2.007 2.580 1.00 0.00 H ATOM 462 N ILE A 85 23.138 3.826 4.641 1.00 8.35 N ATOM 463 CA ILE A 85 22.858 4.934 5.550 1.00 10.47 C ATOM 464 C ILE A 85 21.738 5.814 4.999 1.00 6.62 C ATOM 465 O ILE A 85 21.778 6.228 3.841 1.00 9.49 O ATOM 466 CB ILE A 85 24.107 5.825 5.812 1.00 7.91 C ATOM 467 CG1 ILE A 85 25.283 4.979 6.310 1.00 5.19 C ATOM 468 CG2 ILE A 85 23.777 6.916 6.848 1.00 7.67 C ATOM 469 CD1 ILE A 85 26.563 5.765 6.432 1.00 9.66 C ATOM 470 H ILE A 85 23.257 4.037 3.696 1.00 0.00 H ATOM 471 N ILE A 86 20.735 6.078 5.835 1.00 8.24 N ATOM 472 CA ILE A 86 19.598 6.925 5.463 1.00 7.24 C ATOM 473 C ILE A 86 19.914 8.349 5.890 1.00 6.88 C ATOM 474 O ILE A 86 20.345 8.578 7.024 1.00 9.14 O ATOM 475 CB ILE A 86 18.305 6.499 6.188 1.00 10.71 C ATOM 476 CG1 ILE A 86 18.016 5.005 5.951 1.00 13.51 C ATOM 477 CG2 ILE A 86 17.157 7.390 5.773 1.00 6.49 C ATOM 478 CD1 ILE A 86 18.117 4.542 4.511 1.00 11.74 C ATOM 479 H ILE A 86 20.785 5.714 6.745 1.00 0.00 H ATOM 480 N PHE A 87 19.769 9.298 4.974 1.00 4.14 N ATOM 481 CA PHE A 87 20.021 10.697 5.289 1.00 4.68 C ATOM 482 C PHE A 87 18.689 11.410 5.229 1.00 10.65 C ATOM 483 O PHE A 87 17.991 11.343 4.211 1.00 12.42 O ATOM 484 CB PHE A 87 21.006 11.304 4.303 1.00 4.60 C ATOM 485 CG PHE A 87 22.390 10.784 4.466 1.00 5.48 C ATOM 486 CD1 PHE A 87 23.269 11.399 5.341 1.00 6.67 C ATOM 487 CD2 PHE A 87 22.809 9.657 3.779 1.00 5.96 C ATOM 488 CE1 PHE A 87 24.557 10.893 5.528 1.00 11.24 C ATOM 489 CE2 PHE A 87 24.084 9.148 3.961 1.00 6.15 C ATOM 490 CZ PHE A 87 24.954 9.767 4.835 1.00 4.71 C ATOM 491 H PHE A 87 19.431 9.079 4.075 1.00 0.00 H ATOM 492 N LYS A 88 18.316 12.043 6.339 1.00 9.71 N ATOM 493 CA LYS A 88 17.045 12.752 6.438 1.00 6.50 C ATOM 494 C LYS A 88 16.957 13.849 5.392 1.00 6.75 C ATOM 495 O LYS A 88 15.935 13.972 4.714 1.00 11.64 O ATOM 496 CB LYS A 88 16.882 13.338 7.840 1.00 6.03 C ATOM 497 CG LYS A 88 15.503 13.879 8.152 1.00 11.00 C ATOM 498 CD LYS A 88 15.465 14.434 9.566 1.00 10.44 C ATOM 499 CE LYS A 88 14.039 14.669 10.030 1.00 12.89 C ATOM 500 NZ LYS A 88 13.397 15.763 9.236 1.00 17.52 N ATOM 501 H LYS A 88 18.933 12.054 7.106 1.00 0.00 H ATOM 502 HZ1 LYS A 88 13.986 16.626 9.328 1.00 0.00 H ATOM 503 HZ2 LYS A 88 13.292 15.523 8.228 1.00 0.00 H ATOM 504 HZ3 LYS A 88 12.474 15.997 9.653 1.00 0.00 H ATOM 505 N ASP A 89 18.032 14.621 5.247 1.00 7.60 N ATOM 506 CA ASP A 89 18.113 15.723 4.263 1.00 12.52 C ATOM 507 C ASP A 89 16.853 16.583 4.272 1.00 11.70 C ATOM 508 O ASP A 89 16.266 16.861 3.219 1.00 10.37 O ATOM 509 CB ASP A 89 18.365 15.165 2.848 1.00 16.21 C ATOM 510 CG ASP A 89 18.541 16.264 1.796 1.00 21.61 C ATOM 511 OD1 ASP A 89 19.138 17.306 2.117 1.00 18.12 O ATOM 512 OD2 ASP A 89 18.060 16.098 0.650 1.00 26.63 O ATOM 513 H ASP A 89 18.802 14.490 5.847 1.00 0.00 H ATOM 514 N GLU A 90 16.452 17.037 5.454 1.00 11.55 N ATOM 515 CA GLU A 90 15.227 17.826 5.556 1.00 15.82 C ATOM 516 C GLU A 90 15.282 19.122 4.748 1.00 17.32 C ATOM 517 O GLU A 90 14.252 19.559 4.226 1.00 20.29 O ATOM 518 CB GLU A 90 14.855 18.093 7.018 1.00 14.78 C ATOM 519 CG GLU A 90 15.820 18.999 7.766 1.00 16.08 C ATOM 520 CD GLU A 90 15.494 19.109 9.235 1.00 16.82 C ATOM 521 OE1 GLU A 90 14.975 18.126 9.818 1.00 20.09 O ATOM 522 OE2 GLU A 90 15.754 20.181 9.816 1.00 12.04 O ATOM 523 H GLU A 90 17.022 16.898 6.252 1.00 0.00 H ATOM 524 N GLU A 91 16.479 19.692 4.598 1.00 14.34 N ATOM 525 CA GLU A 91 16.659 20.935 3.837 1.00 18.37 C ATOM 526 C GLU A 91 16.589 20.697 2.322 1.00 15.03 C ATOM 527 O GLU A 91 16.440 21.639 1.542 1.00 13.39 O ATOM 528 CB GLU A 91 18.010 21.598 4.167 1.00 21.86 C ATOM 529 CG GLU A 91 18.251 22.004 5.627 1.00 32.20 C ATOM 530 CD GLU A 91 17.401 23.173 6.110 1.00 39.75 C ATOM 531 OE1 GLU A 91 17.200 24.138 5.339 1.00 44.16 O ATOM 532 OE2 GLU A 91 16.947 23.134 7.280 1.00 45.29 O ATOM 533 H GLU A 91 17.270 19.301 5.035 1.00 0.00 H ATOM 534 N ASN A 92 16.721 19.438 1.915 1.00 14.51 N ATOM 535 CA ASN A 92 16.700 19.060 0.501 1.00 15.74 C ATOM 536 C ASN A 92 17.847 19.742 -0.235 1.00 17.32 C ATOM 537 O ASN A 92 17.669 20.282 -1.324 1.00 13.70 O ATOM 538 CB ASN A 92 15.365 19.425 -0.158 1.00 22.51 C ATOM 539 CG ASN A 92 15.211 18.815 -1.546 1.00 27.36 C ATOM 540 OD1 ASN A 92 14.679 19.448 -2.454 1.00 34.30 O ATOM 541 ND2 ASN A 92 15.676 17.580 -1.713 1.00 28.44 N ATOM 542 H ASN A 92 16.870 18.739 2.582 1.00 0.00 H ATOM 543 HD21 ASN A 92 15.541 17.224 -2.615 1.00 0.00 H ATOM 544 HD22 ASN A 92 16.111 17.086 -0.990 1.00 0.00 H ATOM 545 N THR A 93 19.030 19.723 0.372 1.00 14.20 N ATOM 546 CA THR A 93 20.205 20.355 -0.219 1.00 14.43 C ATOM 547 C THR A 93 21.342 19.362 -0.328 1.00 12.12 C ATOM 548 O THR A 93 22.371 19.662 -0.936 1.00 13.69 O ATOM 549 CB THR A 93 20.740 21.470 0.680 1.00 11.90 C ATOM 550 OG1 THR A 93 20.996 20.911 1.974 1.00 9.26 O ATOM 551 CG2 THR A 93 19.747 22.637 0.789 1.00 9.90 C ATOM 552 H THR A 93 19.117 19.271 1.240 1.00 0.00 H ATOM 553 HG1 THR A 93 21.282 21.612 2.565 1.00 0.00 H ATOM 554 N GLY A 94 21.167 18.201 0.292 1.00 11.91 N ATOM 555 CA GLY A 94 22.207 17.189 0.315 1.00 10.31 C ATOM 556 C GLY A 94 23.301 17.477 1.347 1.00 9.68 C ATOM 557 O GLY A 94 24.257 16.711 1.464 1.00 12.31 O ATOM 558 H GLY A 94 20.323 18.009 0.747 1.00 0.00 H ATOM 559 N ALA A 95 23.140 18.533 2.145 1.00 10.53 N ATOM 560 CA ALA A 95 24.147 18.910 3.138 1.00 8.87 C ATOM 561 C ALA A 95 24.462 17.846 4.185 1.00 11.90 C ATOM 562 O ALA A 95 25.611 17.735 4.617 1.00 12.09 O ATOM 563 CB ALA A 95 23.774 20.220 3.809 1.00 8.79 C ATOM 564 H ALA A 95 22.301 19.045 2.126 1.00 0.00 H ATOM 565 N ASP A 96 23.468 17.039 4.552 1.00 9.51 N ATOM 566 CA ASP A 96 23.650 15.982 5.557 1.00 10.43 C ATOM 567 C ASP A 96 24.738 14.988 5.165 1.00 9.49 C ATOM 568 O ASP A 96 25.370 14.367 6.028 1.00 5.36 O ATOM 569 CB ASP A 96 22.340 15.198 5.768 1.00 13.23 C ATOM 570 CG ASP A 96 21.407 15.836 6.795 1.00 21.18 C ATOM 571 OD1 ASP A 96 21.785 16.848 7.420 1.00 17.72 O ATOM 572 OD2 ASP A 96 20.279 15.304 6.984 1.00 22.24 O ATOM 573 H ASP A 96 22.578 17.186 4.168 1.00 0.00 H ATOM 574 N ARG A 97 24.937 14.830 3.857 1.00 6.90 N ATOM 575 CA ARG A 97 25.923 13.893 3.307 1.00 7.10 C ATOM 576 C ARG A 97 27.354 14.400 3.221 1.00 5.24 C ATOM 577 O ARG A 97 28.265 13.597 3.092 1.00 8.90 O ATOM 578 CB ARG A 97 25.510 13.459 1.902 1.00 9.46 C ATOM 579 CG ARG A 97 24.207 12.701 1.854 1.00 9.34 C ATOM 580 CD ARG A 97 23.777 12.441 0.428 1.00 12.01 C ATOM 581 NE ARG A 97 22.521 11.697 0.394 1.00 9.97 N ATOM 582 CZ ARG A 97 22.429 10.374 0.464 1.00 12.51 C ATOM 583 NH1 ARG A 97 23.531 9.624 0.560 1.00 8.62 N ATOM 584 NH2 ARG A 97 21.226 9.811 0.542 1.00 13.42 N ATOM 585 H ARG A 97 24.404 15.372 3.241 1.00 0.00 H ATOM 586 HE ARG A 97 21.700 12.234 0.308 1.00 0.00 H ATOM 587 HH11 ARG A 97 24.453 10.023 0.614 1.00 0.00 H ATOM 588 HH12 ARG A 97 23.460 8.619 0.605 1.00 0.00 H ATOM 589 HH21 ARG A 97 20.378 10.368 0.577 1.00 0.00 H ATOM 590 HH22 ARG A 97 21.119 8.807 0.609 1.00 0.00 H ATOM 591 N LEU A 98 27.542 15.716 3.219 1.00 6.02 N ATOM 592 CA LEU A 98 28.867 16.299 3.099 1.00 4.57 C ATOM 593 C LEU A 98 29.569 16.318 4.427 1.00 5.32 C ATOM 594 O LEU A 98 29.132 16.989 5.361 1.00 4.64 O ATOM 595 CB LEU A 98 28.784 17.697 2.521 1.00 7.88 C ATOM 596 CG LEU A 98 28.391 17.795 1.045 1.00 9.91 C ATOM 597 CD1 LEU A 98 27.840 19.197 0.745 1.00 10.72 C ATOM 598 CD2 LEU A 98 29.594 17.509 0.173 1.00 9.83 C ATOM 599 H LEU A 98 26.777 16.318 3.342 1.00 0.00 H ATOM 600 N MET A 99 30.706 15.631 4.479 1.00 7.04 N ATOM 601 CA MET A 99 31.475 15.508 5.714 1.00 3.67 C ATOM 602 C MET A 99 32.946 15.261 5.432 1.00 9.14 C ATOM 603 O MET A 99 33.335 14.960 4.294 1.00 2.42 O ATOM 604 CB MET A 99 30.924 14.338 6.532 1.00 3.82 C ATOM 605 CG MET A 99 30.834 13.045 5.738 1.00 7.96 C ATOM 606 SD MET A 99 29.961 11.548 6.604 1.00 19.24 S ATOM 607 CE MET A 99 28.173 12.292 6.385 1.00 7.81 C ATOM 608 H MET A 99 31.049 15.165 3.684 1.00 0.00 H ATOM 609 N THR A 100 33.762 15.382 6.475 1.00 7.51 N ATOM 610 CA THR A 100 35.188 15.157 6.338 1.00 8.23 C ATOM 611 C THR A 100 35.425 13.657 6.139 1.00 6.84 C ATOM 612 O THR A 100 34.583 12.820 6.507 1.00 7.88 O ATOM 613 CB THR A 100 35.969 15.641 7.582 1.00 4.20 C ATOM 614 OG1 THR A 100 35.611 14.848 8.718 1.00 5.92 O ATOM 615 CG2 THR A 100 35.704 17.115 7.868 1.00 5.59 C ATOM 616 H THR A 100 33.406 15.614 7.366 1.00 0.00 H ATOM 617 HG1 THR A 100 36.080 15.247 9.470 1.00 0.00 H ATOM 618 N GLN A 101 36.581 13.317 5.581 1.00 4.43 N ATOM 619 CA GLN A 101 36.933 11.929 5.348 1.00 9.77 C ATOM 620 C GLN A 101 36.886 11.106 6.643 1.00 9.29 C ATOM 621 O GLN A 101 36.388 9.978 6.636 1.00 9.60 O ATOM 622 CB GLN A 101 38.322 11.843 4.697 1.00 14.76 C ATOM 623 CG GLN A 101 38.893 10.433 4.583 1.00 29.80 C ATOM 624 CD GLN A 101 38.228 9.560 3.520 1.00 38.88 C ATOM 625 OE1 GLN A 101 37.090 9.789 3.109 1.00 42.72 O ATOM 626 NE2 GLN A 101 38.953 8.541 3.074 1.00 49.63 N ATOM 627 H GLN A 101 37.210 14.022 5.314 1.00 0.00 H ATOM 628 HE21 GLN A 101 38.616 7.980 2.360 1.00 0.00 H ATOM 629 HE22 GLN A 101 39.824 8.424 3.510 1.00 0.00 H ATOM 630 N ARG A 102 37.393 11.666 7.746 1.00 7.83 N ATOM 631 CA ARG A 102 37.388 10.945 9.019 1.00 6.46 C ATOM 632 C ARG A 102 35.940 10.693 9.464 1.00 6.97 C ATOM 633 O ARG A 102 35.614 9.613 9.977 1.00 6.55 O ATOM 634 CB ARG A 102 38.156 11.711 10.106 1.00 8.28 C ATOM 635 CG ARG A 102 38.290 10.926 11.407 1.00 5.13 C ATOM 636 CD ARG A 102 39.106 11.666 12.455 1.00 2.00 C ATOM 637 NE ARG A 102 39.227 10.859 13.663 1.00 7.13 N ATOM 638 CZ ARG A 102 40.072 9.844 13.834 1.00 7.74 C ATOM 639 NH1 ARG A 102 40.907 9.481 12.860 1.00 5.91 N ATOM 640 NH2 ARG A 102 40.059 9.164 14.975 1.00 7.79 N ATOM 641 H ARG A 102 37.780 12.565 7.697 1.00 0.00 H ATOM 642 HE ARG A 102 38.626 11.094 14.382 1.00 0.00 H ATOM 643 HH11 ARG A 102 40.939 9.990 11.971 1.00 0.00 H ATOM 644 HH12 ARG A 102 41.603 8.772 12.954 1.00 0.00 H ATOM 645 HH21 ARG A 102 39.415 9.478 15.714 1.00 0.00 H ATOM 646 HH22 ARG A 102 40.660 8.416 15.247 1.00 0.00 H ATOM 647 N CYS A 103 35.081 11.692 9.281 1.00 4.72 N ATOM 648 CA CYS A 103 33.672 11.544 9.644 1.00 6.40 C ATOM 649 C CYS A 103 33.068 10.420 8.799 1.00 6.42 C ATOM 650 O CYS A 103 32.396 9.537 9.329 1.00 5.51 O ATOM 651 CB CYS A 103 32.905 12.851 9.430 1.00 4.26 C ATOM 652 SG CYS A 103 31.294 12.878 10.271 1.00 7.86 S ATOM 653 H CYS A 103 35.387 12.545 8.901 1.00 0.00 H ATOM 654 N LYS A 104 33.386 10.410 7.502 1.00 8.11 N ATOM 655 CA LYS A 104 32.896 9.371 6.599 1.00 9.56 C ATOM 656 C LYS A 104 33.352 7.992 7.036 1.00 10.08 C ATOM 657 O LYS A 104 32.563 7.039 7.034 1.00 9.28 O ATOM 658 CB LYS A 104 33.384 9.607 5.170 1.00 16.84 C ATOM 659 CG LYS A 104 32.580 10.623 4.378 1.00 26.20 C ATOM 660 CD LYS A 104 33.066 10.718 2.932 1.00 31.20 C ATOM 661 CE LYS A 104 32.474 9.640 2.047 1.00 34.05 C ATOM 662 NZ LYS A 104 32.733 8.268 2.542 1.00 40.06 N ATOM 663 H LYS A 104 33.972 11.107 7.149 1.00 0.00 H ATOM 664 HZ1 LYS A 104 33.759 8.099 2.597 1.00 0.00 H ATOM 665 HZ2 LYS A 104 32.282 8.126 3.467 1.00 0.00 H ATOM 666 HZ3 LYS A 104 32.330 7.595 1.861 1.00 0.00 H ATOM 667 N ASP A 105 34.639 7.877 7.366 1.00 8.50 N ATOM 668 CA ASP A 105 35.218 6.613 7.814 1.00 8.67 C ATOM 669 C ASP A 105 34.498 6.044 9.032 1.00 6.56 C ATOM 670 O ASP A 105 34.159 4.859 9.078 1.00 9.75 O ATOM 671 CB ASP A 105 36.698 6.808 8.168 1.00 5.98 C ATOM 672 CG ASP A 105 37.573 7.022 6.953 1.00 10.80 C ATOM 673 OD1 ASP A 105 37.111 6.807 5.804 1.00 15.48 O ATOM 674 OD2 ASP A 105 38.741 7.402 7.159 1.00 10.95 O ATOM 675 H ASP A 105 35.249 8.640 7.283 1.00 0.00 H ATOM 676 N LYS A 106 34.313 6.880 10.039 1.00 6.05 N ATOM 677 CA LYS A 106 33.656 6.444 11.265 1.00 7.89 C ATOM 678 C LYS A 106 32.179 6.132 11.015 1.00 8.18 C ATOM 679 O LYS A 106 31.642 5.159 11.554 1.00 7.90 O ATOM 680 CB LYS A 106 33.785 7.521 12.345 1.00 6.28 C ATOM 681 CG LYS A 106 35.071 7.510 13.146 1.00 10.40 C ATOM 682 CD LYS A 106 36.243 7.085 12.316 1.00 12.00 C ATOM 683 CE LYS A 106 37.529 7.207 13.072 1.00 16.66 C ATOM 684 NZ LYS A 106 38.601 6.765 12.156 1.00 25.64 N ATOM 685 H LYS A 106 34.616 7.811 9.934 1.00 0.00 H ATOM 686 HZ1 LYS A 106 38.538 7.308 11.264 1.00 0.00 H ATOM 687 HZ2 LYS A 106 39.534 6.838 12.589 1.00 0.00 H ATOM 688 HZ3 LYS A 106 38.396 5.768 11.933 1.00 0.00 H ATOM 689 N LEU A 107 31.532 6.952 10.191 1.00 6.68 N ATOM 690 CA LEU A 107 30.122 6.751 9.882 1.00 3.69 C ATOM 691 C LEU A 107 29.931 5.455 9.119 1.00 5.85 C ATOM 692 O LEU A 107 29.014 4.691 9.415 1.00 8.44 O ATOM 693 CB LEU A 107 29.575 7.928 9.080 1.00 6.43 C ATOM 694 CG LEU A 107 28.046 7.991 9.009 1.00 5.39 C ATOM 695 CD1 LEU A 107 27.464 8.195 10.416 1.00 5.87 C ATOM 696 CD2 LEU A 107 27.624 9.118 8.078 1.00 9.24 C ATOM 697 H LEU A 107 32.003 7.712 9.788 1.00 0.00 H ATOM 698 N ASN A 108 30.827 5.173 8.175 1.00 5.49 N ATOM 699 CA ASN A 108 30.731 3.941 7.385 1.00 6.18 C ATOM 700 C ASN A 108 30.933 2.697 8.247 1.00 6.18 C ATOM 701 O ASN A 108 30.261 1.673 8.057 1.00 7.56 O ATOM 702 CB ASN A 108 31.710 3.968 6.191 1.00 3.84 C ATOM 703 CG ASN A 108 31.279 4.941 5.085 1.00 10.57 C ATOM 704 OD1 ASN A 108 30.121 5.351 5.000 1.00 12.84 O ATOM 705 ND2 ASN A 108 32.213 5.300 4.226 1.00 11.61 N ATOM 706 H ASN A 108 31.541 5.814 7.999 1.00 0.00 H ATOM 707 HD21 ASN A 108 31.936 5.893 3.506 1.00 0.00 H ATOM 708 HD22 ASN A 108 33.112 4.930 4.368 1.00 0.00 H ATOM 709 N ALA A 109 31.843 2.785 9.217 1.00 4.93 N ATOM 710 CA ALA A 109 32.102 1.668 10.117 1.00 5.56 C ATOM 711 C ALA A 109 30.861 1.462 10.988 1.00 6.69 C ATOM 712 O ALA A 109 30.448 0.332 11.246 1.00 8.72 O ATOM 713 CB ALA A 109 33.326 1.952 10.989 1.00 9.65 C ATOM 714 H ALA A 109 32.366 3.609 9.318 1.00 0.00 H ATOM 715 N LEU A 110 30.247 2.563 11.406 1.00 6.72 N ATOM 716 CA LEU A 110 29.041 2.491 12.217 1.00 6.62 C ATOM 717 C LEU A 110 27.880 1.887 11.416 1.00 6.60 C ATOM 718 O LEU A 110 27.080 1.137 11.956 1.00 6.53 O ATOM 719 CB LEU A 110 28.665 3.876 12.754 1.00 5.51 C ATOM 720 CG LEU A 110 27.431 3.938 13.667 1.00 3.70 C ATOM 721 CD1 LEU A 110 27.560 2.926 14.778 1.00 2.77 C ATOM 722 CD2 LEU A 110 27.236 5.330 14.216 1.00 2.00 C ATOM 723 H LEU A 110 30.623 3.441 11.186 1.00 0.00 H ATOM 724 N ALA A 111 27.792 2.209 10.129 1.00 9.40 N ATOM 725 CA ALA A 111 26.722 1.672 9.284 1.00 9.03 C ATOM 726 C ALA A 111 26.757 0.142 9.319 1.00 12.33 C ATOM 727 O ALA A 111 25.711 -0.513 9.333 1.00 9.65 O ATOM 728 CB ALA A 111 26.861 2.187 7.844 1.00 6.87 C ATOM 729 H ALA A 111 28.437 2.839 9.750 1.00 0.00 H ATOM 730 N ILE A 112 27.966 -0.422 9.379 1.00 11.16 N ATOM 731 CA ILE A 112 28.131 -1.874 9.431 1.00 10.60 C ATOM 732 C ILE A 112 27.689 -2.459 10.782 1.00 9.11 C ATOM 733 O ILE A 112 26.975 -3.476 10.837 1.00 9.10 O ATOM 734 CB ILE A 112 29.616 -2.284 9.183 1.00 11.08 C ATOM 735 CG1 ILE A 112 30.091 -1.783 7.814 1.00 11.93 C ATOM 736 CG2 ILE A 112 29.763 -3.792 9.276 1.00 11.77 C ATOM 737 CD1 ILE A 112 31.555 -1.980 7.574 1.00 10.38 C ATOM 738 H ILE A 112 28.753 0.164 9.390 1.00 0.00 H ATOM 739 N SER A 113 28.127 -1.842 11.873 1.00 7.84 N ATOM 740 CA SER A 113 27.778 -2.346 13.193 1.00 9.25 C ATOM 741 C SER A 113 26.298 -2.222 13.517 1.00 7.38 C ATOM 742 O SER A 113 25.754 -3.069 14.226 1.00 7.82 O ATOM 743 CB SER A 113 28.636 -1.702 14.291 1.00 4.11 C ATOM 744 OG SER A 113 28.606 -0.297 14.216 1.00 11.60 O ATOM 745 H SER A 113 28.669 -1.023 11.833 1.00 0.00 H ATOM 746 HG SER A 113 29.152 -0.010 14.962 1.00 0.00 H ATOM 747 N VAL A 114 25.637 -1.198 12.981 1.00 7.80 N ATOM 748 CA VAL A 114 24.207 -1.030 13.245 1.00 8.27 C ATOM 749 C VAL A 114 23.418 -2.196 12.645 1.00 7.04 C ATOM 750 O VAL A 114 22.587 -2.796 13.324 1.00 6.29 O ATOM 751 CB VAL A 114 23.662 0.300 12.699 1.00 6.02 C ATOM 752 CG1 VAL A 114 22.126 0.323 12.831 1.00 8.32 C ATOM 753 CG2 VAL A 114 24.270 1.465 13.460 1.00 5.00 C ATOM 754 H VAL A 114 26.124 -0.531 12.445 1.00 0.00 H ATOM 755 N MET A 115 23.700 -2.530 11.388 1.00 8.42 N ATOM 756 CA MET A 115 23.017 -3.647 10.736 1.00 13.64 C ATOM 757 C MET A 115 23.372 -4.962 11.414 1.00 13.14 C ATOM 758 O MET A 115 22.587 -5.911 11.402 1.00 14.14 O ATOM 759 CB MET A 115 23.366 -3.723 9.251 1.00 18.67 C ATOM 760 CG MET A 115 22.795 -2.573 8.452 1.00 27.79 C ATOM 761 SD MET A 115 23.245 -2.614 6.576 1.00 43.10 S ATOM 762 CE MET A 115 21.557 -3.239 5.909 1.00 40.79 C ATOM 763 H MET A 115 24.358 -2.002 10.889 1.00 0.00 H ATOM 764 N ASN A 116 24.579 -5.049 11.954 1.00 14.62 N ATOM 765 CA ASN A 116 24.975 -6.266 12.653 1.00 14.36 C ATOM 766 C ASN A 116 24.210 -6.386 13.979 1.00 14.42 C ATOM 767 O ASN A 116 23.823 -7.477 14.401 1.00 14.19 O ATOM 768 CB ASN A 116 26.477 -6.274 12.930 1.00 14.85 C ATOM 769 CG ASN A 116 26.921 -7.556 13.583 1.00 15.10 C ATOM 770 OD1 ASN A 116 27.011 -8.587 12.927 1.00 16.82 O ATOM 771 ND2 ASN A 116 27.162 -7.513 14.881 1.00 18.63 N ATOM 772 H ASN A 116 25.207 -4.302 11.862 1.00 0.00 H ATOM 773 HD21 ASN A 116 27.469 -8.345 15.297 1.00 0.00 H ATOM 774 HD22 ASN A 116 27.038 -6.665 15.359 1.00 0.00 H ATOM 775 N GLN A 117 23.998 -5.258 14.642 1.00 12.26 N ATOM 776 CA GLN A 117 23.291 -5.273 15.905 1.00 12.40 C ATOM 777 C GLN A 117 21.794 -5.536 15.678 1.00 13.74 C ATOM 778 O GLN A 117 21.191 -6.344 16.380 1.00 12.31 O ATOM 779 CB GLN A 117 23.510 -3.945 16.638 1.00 13.82 C ATOM 780 CG GLN A 117 22.954 -3.890 18.051 1.00 15.57 C ATOM 781 CD GLN A 117 23.739 -4.731 19.028 1.00 21.40 C ATOM 782 OE1 GLN A 117 24.928 -4.989 18.837 1.00 26.22 O ATOM 783 NE2 GLN A 117 23.082 -5.155 20.091 1.00 21.45 N ATOM 784 H GLN A 117 24.302 -4.409 14.269 1.00 0.00 H ATOM 785 HE21 GLN A 117 23.575 -5.703 20.732 1.00 0.00 H ATOM 786 HE22 GLN A 117 22.139 -4.907 20.190 1.00 0.00 H ATOM 787 N TRP A 118 21.216 -4.886 14.672 1.00 9.80 N ATOM 788 CA TRP A 118 19.794 -5.024 14.371 1.00 10.22 C ATOM 789 C TRP A 118 19.612 -5.243 12.878 1.00 7.47 C ATOM 790 O TRP A 118 19.433 -4.297 12.118 1.00 9.32 O ATOM 791 CB TRP A 118 19.053 -3.756 14.784 1.00 11.61 C ATOM 792 CG TRP A 118 19.279 -3.358 16.199 1.00 12.42 C ATOM 793 CD1 TRP A 118 18.792 -3.983 17.313 1.00 18.25 C ATOM 794 CD2 TRP A 118 20.021 -2.220 16.667 1.00 15.27 C ATOM 795 NE1 TRP A 118 19.179 -3.300 18.444 1.00 17.31 N ATOM 796 CE2 TRP A 118 19.930 -2.214 18.078 1.00 14.85 C ATOM 797 CE3 TRP A 118 20.744 -1.198 16.031 1.00 13.42 C ATOM 798 CZ2 TRP A 118 20.534 -1.228 18.867 1.00 12.01 C ATOM 799 CZ3 TRP A 118 21.344 -0.217 16.816 1.00 8.44 C ATOM 800 CH2 TRP A 118 21.232 -0.239 18.221 1.00 9.97 C ATOM 801 H TRP A 118 21.739 -4.297 14.091 1.00 0.00 H ATOM 802 HE1 TRP A 118 18.968 -3.575 19.366 1.00 0.00 H ATOM 803 N PRO A 119 19.715 -6.500 12.428 1.00 9.62 N ATOM 804 CA PRO A 119 19.554 -6.802 11.002 1.00 9.21 C ATOM 805 C PRO A 119 18.253 -6.208 10.462 1.00 11.06 C ATOM 806 O PRO A 119 17.212 -6.270 11.113 1.00 10.83 O ATOM 807 CB PRO A 119 19.561 -8.333 10.988 1.00 8.23 C ATOM 808 CG PRO A 119 20.547 -8.654 12.095 1.00 10.81 C ATOM 809 CD PRO A 119 20.073 -7.713 13.192 1.00 7.73 C ATOM 810 N GLY A 120 18.336 -5.552 9.314 1.00 11.99 N ATOM 811 CA GLY A 120 17.147 -4.948 8.744 1.00 15.82 C ATOM 812 C GLY A 120 17.002 -3.485 9.120 1.00 16.42 C ATOM 813 O GLY A 120 16.177 -2.770 8.542 1.00 17.46 O ATOM 814 H GLY A 120 19.197 -5.436 8.870 1.00 0.00 H ATOM 815 N VAL A 121 17.780 -3.043 10.107 1.00 15.76 N ATOM 816 CA VAL A 121 17.746 -1.652 10.554 1.00 11.50 C ATOM 817 C VAL A 121 19.025 -0.974 10.048 1.00 11.88 C ATOM 818 O VAL A 121 20.099 -1.588 10.031 1.00 11.50 O ATOM 819 CB VAL A 121 17.652 -1.542 12.123 1.00 8.85 C ATOM 820 CG1 VAL A 121 17.636 -0.083 12.555 1.00 4.53 C ATOM 821 CG2 VAL A 121 16.385 -2.235 12.643 1.00 8.63 C ATOM 822 H VAL A 121 18.419 -3.632 10.566 1.00 0.00 H ATOM 823 N LYS A 122 18.892 0.261 9.577 1.00 10.34 N ATOM 824 CA LYS A 122 20.043 1.009 9.076 1.00 10.62 C ATOM 825 C LYS A 122 20.362 2.218 9.928 1.00 8.94 C ATOM 826 O LYS A 122 19.525 2.717 10.689 1.00 8.47 O ATOM 827 CB LYS A 122 19.815 1.499 7.642 1.00 8.87 C ATOM 828 CG LYS A 122 19.905 0.426 6.599 1.00 9.98 C ATOM 829 CD LYS A 122 19.777 1.010 5.213 1.00 10.98 C ATOM 830 CE LYS A 122 19.915 -0.090 4.174 1.00 17.61 C ATOM 831 NZ LYS A 122 19.850 0.455 2.787 1.00 27.64 N ATOM 832 H LYS A 122 18.016 0.683 9.563 1.00 0.00 H ATOM 833 HZ1 LYS A 122 18.975 0.987 2.624 1.00 0.00 H ATOM 834 HZ2 LYS A 122 20.689 1.049 2.599 1.00 0.00 H ATOM 835 HZ3 LYS A 122 19.899 -0.354 2.139 1.00 0.00 H ATOM 836 N LEU A 123 21.596 2.675 9.813 1.00 6.56 N ATOM 837 CA LEU A 123 22.021 3.847 10.521 1.00 2.13 C ATOM 838 C LEU A 123 21.325 4.988 9.795 1.00 6.33 C ATOM 839 O LEU A 123 21.142 4.937 8.576 1.00 7.87 O ATOM 840 CB LEU A 123 23.540 3.991 10.412 1.00 3.58 C ATOM 841 CG LEU A 123 24.223 5.271 10.893 1.00 2.00 C ATOM 842 CD1 LEU A 123 23.966 5.507 12.389 1.00 2.86 C ATOM 843 CD2 LEU A 123 25.720 5.117 10.606 1.00 3.92 C ATOM 844 H LEU A 123 22.225 2.207 9.220 1.00 0.00 H ATOM 845 N ARG A 124 20.920 6.009 10.536 1.00 5.13 N ATOM 846 CA ARG A 124 20.248 7.138 9.932 1.00 5.98 C ATOM 847 C ARG A 124 20.799 8.446 10.489 1.00 5.68 C ATOM 848 O ARG A 124 20.967 8.601 11.701 1.00 9.65 O ATOM 849 CB ARG A 124 18.738 7.031 10.166 1.00 3.71 C ATOM 850 CG ARG A 124 17.945 8.283 9.832 1.00 8.10 C ATOM 851 CD ARG A 124 16.449 8.024 10.062 1.00 8.17 C ATOM 852 NE ARG A 124 15.626 9.230 9.952 1.00 6.39 N ATOM 853 CZ ARG A 124 15.246 9.973 10.987 1.00 4.86 C ATOM 854 NH1 ARG A 124 15.617 9.648 12.221 1.00 4.53 N ATOM 855 NH2 ARG A 124 14.437 11.005 10.797 1.00 10.76 N ATOM 856 H ARG A 124 21.069 6.021 11.505 1.00 0.00 H ATOM 857 HE ARG A 124 15.345 9.470 9.039 1.00 0.00 H ATOM 858 HH11 ARG A 124 16.200 8.862 12.447 1.00 0.00 H ATOM 859 HH12 ARG A 124 15.319 10.233 13.001 1.00 0.00 H ATOM 860 HH21 ARG A 124 14.086 11.243 9.896 1.00 0.00 H ATOM 861 HH22 ARG A 124 14.145 11.562 11.616 1.00 0.00 H ATOM 862 N VAL A 125 21.137 9.360 9.589 1.00 5.59 N ATOM 863 CA VAL A 125 21.655 10.669 9.953 1.00 4.38 C ATOM 864 C VAL A 125 20.504 11.656 9.833 1.00 6.66 C ATOM 865 O VAL A 125 19.860 11.733 8.788 1.00 6.96 O ATOM 866 CB VAL A 125 22.803 11.120 8.987 1.00 5.62 C ATOM 867 CG1 VAL A 125 23.231 12.554 9.298 1.00 3.86 C ATOM 868 CG2 VAL A 125 23.984 10.170 9.089 1.00 9.72 C ATOM 869 H VAL A 125 21.021 9.159 8.641 1.00 0.00 H ATOM 870 N THR A 126 20.212 12.368 10.916 1.00 4.47 N ATOM 871 CA THR A 126 19.147 13.361 10.902 1.00 4.90 C ATOM 872 C THR A 126 19.707 14.763 10.727 1.00 6.06 C ATOM 873 O THR A 126 18.977 15.682 10.379 1.00 6.12 O ATOM 874 CB THR A 126 18.267 13.282 12.173 1.00 6.02 C ATOM 875 OG1 THR A 126 19.097 13.367 13.341 1.00 7.42 O ATOM 876 CG2 THR A 126 17.533 11.968 12.193 1.00 4.96 C ATOM 877 H THR A 126 20.739 12.226 11.722 1.00 0.00 H ATOM 878 HG1 THR A 126 19.590 12.542 13.411 1.00 0.00 H ATOM 879 N GLU A 127 20.997 14.938 11.008 1.00 7.12 N ATOM 880 CA GLU A 127 21.640 16.246 10.848 1.00 4.13 C ATOM 881 C GLU A 127 23.136 16.052 10.680 1.00 5.81 C ATOM 882 O GLU A 127 23.759 15.292 11.429 1.00 6.09 O ATOM 883 CB GLU A 127 21.352 17.162 12.050 1.00 7.65 C ATOM 884 CG GLU A 127 22.122 18.519 12.048 1.00 12.71 C ATOM 885 CD GLU A 127 21.680 19.525 10.964 1.00 14.45 C ATOM 886 OE1 GLU A 127 21.045 19.127 9.969 1.00 16.81 O ATOM 887 OE2 GLU A 127 21.976 20.736 11.107 1.00 15.07 O ATOM 888 H GLU A 127 21.550 14.198 11.326 1.00 0.00 H ATOM 889 N GLY A 128 23.703 16.696 9.669 1.00 6.27 N ATOM 890 CA GLY A 128 25.129 16.584 9.437 1.00 4.85 C ATOM 891 C GLY A 128 25.676 17.979 9.349 1.00 9.69 C ATOM 892 O GLY A 128 25.524 18.765 10.295 1.00 8.57 O ATOM 893 H GLY A 128 23.141 17.241 9.065 1.00 0.00 H ATOM 894 N TRP A 129 26.316 18.287 8.223 1.00 8.11 N ATOM 895 CA TRP A 129 26.873 19.609 7.987 1.00 6.83 C ATOM 896 C TRP A 129 25.726 20.601 7.975 1.00 6.59 C ATOM 897 O TRP A 129 24.787 20.470 7.197 1.00 6.97 O ATOM 898 CB TRP A 129 27.615 19.644 6.651 1.00 4.92 C ATOM 899 CG TRP A 129 28.149 20.987 6.289 1.00 7.98 C ATOM 900 CD1 TRP A 129 28.848 21.843 7.096 1.00 9.10 C ATOM 901 CD2 TRP A 129 28.033 21.640 5.017 1.00 9.26 C ATOM 902 NE1 TRP A 129 29.172 22.985 6.408 1.00 8.11 N ATOM 903 CE2 TRP A 129 28.686 22.890 5.129 1.00 6.76 C ATOM 904 CE3 TRP A 129 27.444 21.290 3.796 1.00 7.95 C ATOM 905 CZ2 TRP A 129 28.767 23.801 4.058 1.00 5.86 C ATOM 906 CZ3 TRP A 129 27.526 22.195 2.731 1.00 8.64 C ATOM 907 CH2 TRP A 129 28.183 23.436 2.875 1.00 7.70 C ATOM 908 H TRP A 129 26.404 17.603 7.532 1.00 0.00 H ATOM 909 HE1 TRP A 129 29.661 23.754 6.784 1.00 0.00 H ATOM 910 N ASP A 130 25.827 21.606 8.828 1.00 6.42 N ATOM 911 CA ASP A 130 24.794 22.605 8.957 1.00 7.27 C ATOM 912 C ASP A 130 25.219 23.860 8.218 1.00 10.04 C ATOM 913 O ASP A 130 26.268 24.426 8.498 1.00 11.07 O ATOM 914 CB ASP A 130 24.563 22.897 10.451 1.00 9.97 C ATOM 915 CG ASP A 130 23.487 23.946 10.709 1.00 13.09 C ATOM 916 OD1 ASP A 130 22.757 24.369 9.780 1.00 13.00 O ATOM 917 OD2 ASP A 130 23.368 24.359 11.880 1.00 15.29 O ATOM 918 H ASP A 130 26.637 21.690 9.367 1.00 0.00 H ATOM 919 N GLU A 131 24.430 24.241 7.223 1.00 10.07 N ATOM 920 CA GLU A 131 24.678 25.451 6.465 1.00 12.31 C ATOM 921 C GLU A 131 23.901 26.634 7.086 1.00 18.44 C ATOM 922 O GLU A 131 24.267 27.787 6.851 1.00 22.00 O ATOM 923 CB GLU A 131 24.185 25.286 5.018 1.00 14.00 C ATOM 924 CG GLU A 131 24.821 24.172 4.210 1.00 13.20 C ATOM 925 CD GLU A 131 24.467 24.258 2.724 1.00 17.92 C ATOM 926 OE1 GLU A 131 24.931 25.191 2.051 1.00 16.39 O ATOM 927 OE2 GLU A 131 23.733 23.392 2.210 1.00 18.30 O ATOM 928 H GLU A 131 23.650 23.686 7.008 1.00 0.00 H ATOM 929 N ASP A 132 22.887 26.353 7.916 1.00 17.18 N ATOM 930 CA ASP A 132 22.014 27.399 8.487 1.00 19.32 C ATOM 931 C ASP A 132 21.998 27.753 9.972 1.00 19.88 C ATOM 932 O ASP A 132 20.933 28.061 10.513 1.00 22.06 O ATOM 933 CB ASP A 132 20.546 27.143 8.101 1.00 25.22 C ATOM 934 CG ASP A 132 20.395 26.352 6.822 1.00 26.76 C ATOM 935 OD1 ASP A 132 20.450 26.963 5.738 1.00 32.33 O ATOM 936 OD2 ASP A 132 20.227 25.119 6.915 1.00 26.82 O ATOM 937 H ASP A 132 22.691 25.420 8.143 1.00 0.00 H ATOM 938 N GLY A 133 23.131 27.680 10.648 1.00 19.81 N ATOM 939 CA GLY A 133 23.174 28.063 12.054 1.00 19.10 C ATOM 940 C GLY A 133 22.143 27.543 13.039 1.00 19.85 C ATOM 941 O GLY A 133 21.609 28.298 13.854 1.00 20.57 O ATOM 942 H GLY A 133 23.926 27.344 10.191 1.00 0.00 H ATOM 943 N HIS A 134 21.858 26.252 12.969 1.00 19.09 N ATOM 944 CA HIS A 134 20.918 25.622 13.881 1.00 19.04 C ATOM 945 C HIS A 134 21.671 25.028 15.048 1.00 18.00 C ATOM 946 O HIS A 134 21.106 24.229 15.797 1.00 17.40 O ATOM 947 CB HIS A 134 20.112 24.526 13.167 1.00 17.31 C ATOM 948 CG HIS A 134 19.260 25.048 12.058 1.00 19.37 C ATOM 949 ND1 HIS A 134 19.126 24.389 10.857 1.00 19.60 N ATOM 950 CD2 HIS A 134 18.523 26.181 11.952 1.00 21.05 C ATOM 951 CE1 HIS A 134 18.344 25.091 10.058 1.00 22.08 C ATOM 952 NE2 HIS A 134 17.966 26.185 10.698 1.00 20.07 N ATOM 953 H HIS A 134 22.276 25.771 12.244 1.00 0.00 H ATOM 954 HD1 HIS A 134 19.611 23.574 10.552 1.00 0.00 H ATOM 955 HE2 HIS A 134 17.435 26.897 10.286 1.00 0.00 H ATOM 956 N HIS A 135 22.946 25.365 15.190 1.00 15.98 N ATOM 957 CA HIS A 135 23.707 24.801 16.290 1.00 14.82 C ATOM 958 C HIS A 135 24.424 25.890 17.071 1.00 17.18 C ATOM 959 O HIS A 135 24.517 27.029 16.611 1.00 19.61 O ATOM 960 CB HIS A 135 24.680 23.757 15.763 1.00 15.15 C ATOM 961 CG HIS A 135 23.999 22.553 15.221 1.00 15.82 C ATOM 962 ND1 HIS A 135 23.231 21.734 16.008 1.00 23.54 N ATOM 963 CD2 HIS A 135 23.907 22.057 13.963 1.00 15.98 C ATOM 964 CE1 HIS A 135 22.701 20.779 15.277 1.00 19.51 C ATOM 965 NE2 HIS A 135 23.097 20.951 14.028 1.00 15.70 N ATOM 966 H HIS A 135 23.369 26.042 14.580 1.00 0.00 H ATOM 967 HD1 HIS A 135 22.807 22.153 16.737 1.00 0.00 H ATOM 968 HE2 HIS A 135 22.855 20.375 13.250 1.00 0.00 H ATOM 969 N SER A 136 24.950 25.559 18.245 1.00 17.61 N ATOM 970 CA SER A 136 25.651 26.527 19.066 1.00 18.97 C ATOM 971 C SER A 136 26.872 27.081 18.352 1.00 18.22 C ATOM 972 O SER A 136 27.348 26.498 17.379 1.00 15.25 O ATOM 973 CB SER A 136 26.063 25.886 20.376 1.00 19.71 C ATOM 974 OG SER A 136 24.910 25.535 21.125 1.00 27.75 O ATOM 975 H SER A 136 24.961 24.631 18.490 1.00 0.00 H ATOM 976 HG SER A 136 24.586 24.721 20.720 1.00 0.00 H ATOM 977 N GLU A 137 27.345 28.236 18.813 1.00 15.60 N ATOM 978 CA GLU A 137 28.529 28.876 18.241 1.00 19.34 C ATOM 979 C GLU A 137 29.634 27.838 18.321 1.00 13.82 C ATOM 980 O GLU A 137 29.705 27.085 19.299 1.00 17.20 O ATOM 981 CB GLU A 137 28.939 30.085 19.082 1.00 24.96 C ATOM 982 CG GLU A 137 28.008 31.266 18.977 1.00 36.58 C ATOM 983 CD GLU A 137 28.222 32.038 17.698 1.00 44.10 C ATOM 984 OE1 GLU A 137 27.682 31.612 16.653 1.00 52.02 O ATOM 985 OE2 GLU A 137 28.941 33.062 17.736 1.00 47.15 O ATOM 986 H GLU A 137 26.888 28.702 19.538 1.00 0.00 H ATOM 987 N GLU A 138 30.433 27.730 17.268 1.00 12.94 N ATOM 988 CA GLU A 138 31.543 26.762 17.225 1.00 12.17 C ATOM 989 C GLU A 138 31.194 25.266 17.185 1.00 13.32 C ATOM 990 O GLU A 138 32.000 24.417 17.577 1.00 11.65 O ATOM 991 CB GLU A 138 32.535 27.042 18.351 1.00 15.19 C ATOM 992 CG GLU A 138 33.116 28.431 18.269 1.00 16.89 C ATOM 993 CD GLU A 138 34.313 28.618 19.167 1.00 19.09 C ATOM 994 OE1 GLU A 138 35.293 27.861 19.024 1.00 19.92 O ATOM 995 OE2 GLU A 138 34.281 29.532 20.017 1.00 26.37 O ATOM 996 H GLU A 138 30.286 28.340 16.520 1.00 0.00 H ATOM 997 N SER A 139 29.999 24.950 16.688 1.00 11.52 N ATOM 998 CA SER A 139 29.556 23.569 16.560 1.00 8.35 C ATOM 999 C SER A 139 30.373 22.888 15.469 1.00 8.18 C ATOM 1000 O SER A 139 30.619 23.484 14.420 1.00 9.03 O ATOM 1001 CB SER A 139 28.088 23.529 16.146 1.00 4.15 C ATOM 1002 OG SER A 139 27.675 22.204 15.867 1.00 7.21 O ATOM 1003 H SER A 139 29.389 25.662 16.411 1.00 0.00 H ATOM 1004 HG SER A 139 27.667 21.800 16.758 1.00 0.00 H ATOM 1005 N LEU A 140 30.737 21.629 15.691 1.00 6.43 N ATOM 1006 CA LEU A 140 31.479 20.874 14.696 1.00 7.89 C ATOM 1007 C LEU A 140 30.591 20.533 13.483 1.00 7.99 C ATOM 1008 O LEU A 140 31.088 20.097 12.447 1.00 6.43 O ATOM 1009 CB LEU A 140 32.078 19.610 15.321 1.00 9.32 C ATOM 1010 CG LEU A 140 33.183 19.841 16.368 1.00 4.33 C ATOM 1011 CD1 LEU A 140 33.914 18.529 16.628 1.00 5.97 C ATOM 1012 CD2 LEU A 140 34.183 20.869 15.868 1.00 6.88 C ATOM 1013 H LEU A 140 30.478 21.200 16.528 1.00 0.00 H ATOM 1014 N HIS A 141 29.277 20.746 13.608 1.00 8.27 N ATOM 1015 CA HIS A 141 28.356 20.495 12.487 1.00 4.52 C ATOM 1016 C HIS A 141 28.644 21.509 11.394 1.00 3.41 C ATOM 1017 O HIS A 141 28.365 21.266 10.228 1.00 7.84 O ATOM 1018 CB HIS A 141 26.899 20.687 12.903 1.00 2.00 C ATOM 1019 CG HIS A 141 26.304 19.518 13.610 1.00 2.00 C ATOM 1020 ND1 HIS A 141 25.759 18.449 12.939 1.00 3.37 N ATOM 1021 CD2 HIS A 141 26.085 19.285 14.924 1.00 6.86 C ATOM 1022 CE1 HIS A 141 25.222 17.610 13.803 1.00 4.31 C ATOM 1023 NE2 HIS A 141 25.406 18.096 15.016 1.00 2.20 N ATOM 1024 H HIS A 141 28.935 21.101 14.455 1.00 0.00 H ATOM 1025 HD1 HIS A 141 25.798 18.305 11.963 1.00 0.00 H ATOM 1026 HE2 HIS A 141 24.956 17.707 15.791 1.00 0.00 H ATOM 1027 N TYR A 142 29.146 22.673 11.787 1.00 3.54 N ATOM 1028 CA TYR A 142 29.460 23.732 10.843 1.00 5.33 C ATOM 1029 C TYR A 142 30.620 23.392 9.920 1.00 6.29 C ATOM 1030 O TYR A 142 30.808 24.042 8.896 1.00 8.26 O ATOM 1031 CB TYR A 142 29.752 25.029 11.593 1.00 5.66 C ATOM 1032 CG TYR A 142 28.530 25.574 12.288 1.00 7.65 C ATOM 1033 CD1 TYR A 142 27.280 25.508 11.678 1.00 10.70 C ATOM 1034 CD2 TYR A 142 28.612 26.136 13.556 1.00 11.71 C ATOM 1035 CE1 TYR A 142 26.143 25.989 12.314 1.00 14.70 C ATOM 1036 CE2 TYR A 142 27.478 26.626 14.203 1.00 10.75 C ATOM 1037 CZ TYR A 142 26.248 26.549 13.573 1.00 14.22 C ATOM 1038 OH TYR A 142 25.121 27.061 14.178 1.00 15.99 O ATOM 1039 H TYR A 142 29.335 22.838 12.733 1.00 0.00 H ATOM 1040 HH TYR A 142 25.360 27.508 15.006 1.00 0.00 H ATOM 1041 N GLU A 143 31.398 22.375 10.274 1.00 8.72 N ATOM 1042 CA GLU A 143 32.523 22.004 9.436 1.00 10.78 C ATOM 1043 C GLU A 143 32.546 20.545 9.024 1.00 10.63 C ATOM 1044 O GLU A 143 33.617 19.971 8.732 1.00 10.20 O ATOM 1045 CB GLU A 143 33.845 22.444 10.073 1.00 14.22 C ATOM 1046 CG GLU A 143 34.074 21.980 11.485 1.00 12.42 C ATOM 1047 CD GLU A 143 35.415 22.446 12.004 1.00 17.86 C ATOM 1048 OE1 GLU A 143 36.426 22.288 11.291 1.00 18.59 O ATOM 1049 OE2 GLU A 143 35.468 22.969 13.126 1.00 19.04 O ATOM 1050 H GLU A 143 31.258 21.875 11.103 1.00 0.00 H ATOM 1051 N GLY A 144 31.352 19.953 8.973 1.00 3.46 N ATOM 1052 CA GLY A 144 31.230 18.575 8.547 1.00 5.21 C ATOM 1053 C GLY A 144 31.940 17.563 9.425 1.00 6.93 C ATOM 1054 O GLY A 144 32.386 16.523 8.941 1.00 5.75 O ATOM 1055 H GLY A 144 30.538 20.443 9.209 1.00 0.00 H ATOM 1056 N ARG A 145 32.077 17.871 10.708 1.00 3.90 N ATOM 1057 CA ARG A 145 32.729 16.947 11.616 1.00 3.68 C ATOM 1058 C ARG A 145 31.790 16.358 12.650 1.00 4.77 C ATOM 1059 O ARG A 145 32.236 15.727 13.607 1.00 5.64 O ATOM 1060 CB ARG A 145 33.902 17.619 12.316 1.00 8.08 C ATOM 1061 CG ARG A 145 35.120 17.686 11.452 1.00 10.44 C ATOM 1062 CD ARG A 145 36.325 17.742 12.347 1.00 14.44 C ATOM 1063 NE ARG A 145 36.596 19.093 12.787 1.00 12.12 N ATOM 1064 CZ ARG A 145 36.942 19.434 14.020 1.00 8.94 C ATOM 1065 NH1 ARG A 145 37.045 18.526 14.986 1.00 12.16 N ATOM 1066 NH2 ARG A 145 37.294 20.685 14.250 1.00 8.90 N ATOM 1067 H ARG A 145 31.727 18.720 11.049 1.00 0.00 H ATOM 1068 HE ARG A 145 36.522 19.798 12.094 1.00 0.00 H ATOM 1069 HH11 ARG A 145 36.837 17.553 14.806 1.00 0.00 H ATOM 1070 HH12 ARG A 145 37.303 18.753 15.929 1.00 0.00 H ATOM 1071 HH21 ARG A 145 37.282 21.367 13.507 1.00 0.00 H ATOM 1072 HH22 ARG A 145 37.530 20.982 15.151 1.00 0.00 H ATOM 1073 N ALA A 146 30.485 16.535 12.462 1.00 2.57 N ATOM 1074 CA ALA A 146 29.544 15.979 13.423 1.00 3.38 C ATOM 1075 C ALA A 146 28.260 15.591 12.743 1.00 4.25 C ATOM 1076 O ALA A 146 27.819 16.247 11.799 1.00 5.93 O ATOM 1077 CB ALA A 146 29.254 16.985 14.537 1.00 3.64 C ATOM 1078 H ALA A 146 30.142 16.981 11.657 1.00 0.00 H ATOM 1079 N VAL A 147 27.662 14.526 13.247 1.00 7.53 N ATOM 1080 CA VAL A 147 26.399 14.044 12.734 1.00 4.62 C ATOM 1081 C VAL A 147 25.517 13.670 13.915 1.00 6.60 C ATOM 1082 O VAL A 147 26.015 13.383 15.014 1.00 3.81 O ATOM 1083 CB VAL A 147 26.575 12.797 11.839 1.00 4.99 C ATOM 1084 CG1 VAL A 147 27.231 13.166 10.511 1.00 9.16 C ATOM 1085 CG2 VAL A 147 27.373 11.720 12.584 1.00 8.51 C ATOM 1086 H VAL A 147 28.090 14.007 13.961 1.00 0.00 H ATOM 1087 N ASP A 148 24.213 13.847 13.720 1.00 5.82 N ATOM 1088 CA ASP A 148 23.213 13.471 14.711 1.00 5.76 C ATOM 1089 C ASP A 148 22.587 12.263 14.046 1.00 5.30 C ATOM 1090 O ASP A 148 22.243 12.299 12.865 1.00 4.36 O ATOM 1091 CB ASP A 148 22.228 14.602 14.936 1.00 7.81 C ATOM 1092 CG ASP A 148 22.884 15.792 15.591 1.00 9.14 C ATOM 1093 OD1 ASP A 148 23.878 15.584 16.320 1.00 7.50 O ATOM 1094 OD2 ASP A 148 22.458 16.932 15.360 1.00 6.74 O ATOM 1095 H ASP A 148 23.886 14.156 12.856 1.00 0.00 H ATOM 1096 N ILE A 149 22.564 11.163 14.779 1.00 5.62 N ATOM 1097 CA ILE A 149 22.086 9.895 14.268 1.00 8.89 C ATOM 1098 C ILE A 149 20.990 9.206 15.083 1.00 8.73 C ATOM 1099 O ILE A 149 20.782 9.486 16.280 1.00 6.01 O ATOM 1100 CB ILE A 149 23.260 8.896 14.149 1.00 5.22 C ATOM 1101 CG1 ILE A 149 23.869 8.651 15.536 1.00 8.64 C ATOM 1102 CG2 ILE A 149 24.341 9.451 13.227 1.00 6.67 C ATOM 1103 CD1 ILE A 149 24.835 7.492 15.589 1.00 8.20 C ATOM 1104 H ILE A 149 22.899 11.214 15.699 1.00 0.00 H ATOM 1105 N THR A 150 20.335 8.266 14.403 1.00 8.76 N ATOM 1106 CA THR A 150 19.267 7.435 14.945 1.00 6.92 C ATOM 1107 C THR A 150 19.343 6.134 14.144 1.00 6.65 C ATOM 1108 O THR A 150 20.227 5.973 13.301 1.00 6.52 O ATOM 1109 CB THR A 150 17.859 8.051 14.660 1.00 7.53 C ATOM 1110 OG1 THR A 150 17.539 7.917 13.266 1.00 6.41 O ATOM 1111 CG2 THR A 150 17.792 9.525 15.036 1.00 2.00 C ATOM 1112 H THR A 150 20.579 8.089 13.472 1.00 0.00 H ATOM 1113 HG1 THR A 150 17.302 6.988 13.103 1.00 0.00 H ATOM 1114 N THR A 151 18.476 5.180 14.474 1.00 7.88 N ATOM 1115 CA THR A 151 18.354 3.938 13.708 1.00 7.79 C ATOM 1116 C THR A 151 17.238 4.286 12.700 1.00 7.58 C ATOM 1117 O THR A 151 16.439 5.207 12.937 1.00 9.42 O ATOM 1118 CB THR A 151 17.876 2.764 14.579 1.00 8.90 C ATOM 1119 OG1 THR A 151 16.914 3.245 15.522 1.00 11.54 O ATOM 1120 CG2 THR A 151 19.044 2.119 15.317 1.00 8.22 C ATOM 1121 H THR A 151 17.865 5.265 15.236 1.00 0.00 H ATOM 1122 HG1 THR A 151 16.319 2.514 15.765 1.00 0.00 H ATOM 1123 N SER A 152 17.178 3.578 11.583 1.00 3.79 N ATOM 1124 CA SER A 152 16.178 3.879 10.567 1.00 6.61 C ATOM 1125 C SER A 152 14.732 3.648 11.035 1.00 8.15 C ATOM 1126 O SER A 152 13.801 4.250 10.500 1.00 9.92 O ATOM 1127 CB SER A 152 16.476 3.097 9.283 1.00 5.33 C ATOM 1128 OG SER A 152 16.476 1.698 9.513 1.00 10.10 O ATOM 1129 H SER A 152 17.800 2.840 11.420 1.00 0.00 H ATOM 1130 HG SER A 152 15.559 1.387 9.398 1.00 0.00 H ATOM 1131 N ASP A 153 14.549 2.816 12.054 1.00 10.13 N ATOM 1132 CA ASP A 153 13.208 2.542 12.560 1.00 11.21 C ATOM 1133 C ASP A 153 12.783 3.540 13.630 1.00 13.69 C ATOM 1134 O ASP A 153 11.687 3.437 14.191 1.00 12.31 O ATOM 1135 CB ASP A 153 13.106 1.119 13.106 1.00 7.58 C ATOM 1136 CG ASP A 153 14.068 0.845 14.244 1.00 11.75 C ATOM 1137 OD1 ASP A 153 14.785 1.762 14.704 1.00 9.42 O ATOM 1138 OD2 ASP A 153 14.108 -0.317 14.687 1.00 11.44 O ATOM 1139 H ASP A 153 15.298 2.382 12.510 1.00 0.00 H ATOM 1140 N ARG A 154 13.664 4.489 13.920 1.00 9.99 N ATOM 1141 CA ARG A 154 13.403 5.505 14.922 1.00 9.65 C ATOM 1142 C ARG A 154 12.927 4.927 16.250 1.00 10.32 C ATOM 1143 O ARG A 154 12.117 5.530 16.957 1.00 10.70 O ATOM 1144 CB ARG A 154 12.446 6.560 14.381 1.00 10.39 C ATOM 1145 CG ARG A 154 13.007 7.293 13.167 1.00 10.19 C ATOM 1146 CD ARG A 154 11.992 8.280 12.585 1.00 13.88 C ATOM 1147 NE ARG A 154 11.768 9.429 13.460 1.00 17.96 N ATOM 1148 CZ ARG A 154 10.618 9.718 14.068 1.00 16.29 C ATOM 1149 NH1 ARG A 154 9.549 8.946 13.899 1.00 12.65 N ATOM 1150 NH2 ARG A 154 10.555 10.761 14.880 1.00 12.33 N ATOM 1151 H ARG A 154 14.531 4.492 13.474 1.00 0.00 H ATOM 1152 HE ARG A 154 12.510 10.060 13.613 1.00 0.00 H ATOM 1153 HH11 ARG A 154 9.543 8.109 13.334 1.00 0.00 H ATOM 1154 HH12 ARG A 154 8.680 9.173 14.369 1.00 0.00 H ATOM 1155 HH21 ARG A 154 11.369 11.360 15.005 1.00 0.00 H ATOM 1156 HH22 ARG A 154 9.704 11.011 15.353 1.00 0.00 H ATOM 1157 N ASP A 155 13.437 3.744 16.581 1.00 12.01 N ATOM 1158 CA ASP A 155 13.125 3.090 17.842 1.00 8.94 C ATOM 1159 C ASP A 155 14.091 3.699 18.844 1.00 8.04 C ATOM 1160 O ASP A 155 15.226 3.251 18.993 1.00 12.12 O ATOM 1161 CB ASP A 155 13.345 1.580 17.742 1.00 11.42 C ATOM 1162 CG ASP A 155 13.198 0.877 19.076 1.00 12.28 C ATOM 1163 OD1 ASP A 155 12.808 1.538 20.059 1.00 13.84 O ATOM 1164 OD2 ASP A 155 13.476 -0.349 19.143 1.00 19.14 O ATOM 1165 H ASP A 155 14.050 3.293 15.963 1.00 0.00 H ATOM 1166 N ARG A 156 13.621 4.713 19.550 1.00 10.62 N ATOM 1167 CA ARG A 156 14.445 5.418 20.516 1.00 10.72 C ATOM 1168 C ARG A 156 15.037 4.580 21.635 1.00 10.91 C ATOM 1169 O ARG A 156 16.042 4.967 22.224 1.00 9.80 O ATOM 1170 CB ARG A 156 13.693 6.632 21.053 1.00 10.50 C ATOM 1171 CG ARG A 156 13.338 7.549 19.928 1.00 13.49 C ATOM 1172 CD ARG A 156 12.704 8.813 20.366 1.00 16.48 C ATOM 1173 NE ARG A 156 12.572 9.696 19.215 1.00 17.20 N ATOM 1174 CZ ARG A 156 12.386 11.005 19.304 1.00 18.43 C ATOM 1175 NH1 ARG A 156 12.309 11.578 20.502 1.00 22.36 N ATOM 1176 NH2 ARG A 156 12.341 11.746 18.203 1.00 13.69 N ATOM 1177 H ARG A 156 12.686 4.967 19.415 1.00 0.00 H ATOM 1178 HE ARG A 156 12.667 9.282 18.324 1.00 0.00 H ATOM 1179 HH11 ARG A 156 12.405 11.036 21.340 1.00 0.00 H ATOM 1180 HH12 ARG A 156 12.200 12.572 20.590 1.00 0.00 H ATOM 1181 HH21 ARG A 156 12.493 11.370 17.278 1.00 0.00 H ATOM 1182 HH22 ARG A 156 12.192 12.740 18.247 1.00 0.00 H ATOM 1183 N SER A 157 14.463 3.413 21.898 1.00 12.05 N ATOM 1184 CA SER A 157 14.995 2.552 22.945 1.00 11.67 C ATOM 1185 C SER A 157 16.345 1.965 22.511 1.00 14.29 C ATOM 1186 O SER A 157 17.098 1.433 23.331 1.00 14.56 O ATOM 1187 CB SER A 157 14.007 1.429 23.265 1.00 16.39 C ATOM 1188 OG SER A 157 13.883 0.525 22.185 1.00 11.50 O ATOM 1189 H SER A 157 13.692 3.087 21.375 1.00 0.00 H ATOM 1190 HG SER A 157 13.114 0.797 21.684 1.00 0.00 H ATOM 1191 N LYS A 158 16.639 2.086 21.221 1.00 11.30 N ATOM 1192 CA LYS A 158 17.870 1.584 20.627 1.00 10.46 C ATOM 1193 C LYS A 158 19.011 2.597 20.630 1.00 7.40 C ATOM 1194 O LYS A 158 20.158 2.226 20.387 1.00 9.25 O ATOM 1195 CB LYS A 158 17.617 1.189 19.167 1.00 9.37 C ATOM 1196 CG LYS A 158 16.847 -0.096 18.937 1.00 10.88 C ATOM 1197 CD LYS A 158 16.838 -0.402 17.438 1.00 10.83 C ATOM 1198 CE LYS A 158 16.108 -1.700 17.099 1.00 10.73 C ATOM 1199 NZ LYS A 158 14.621 -1.575 17.090 1.00 11.05 N ATOM 1200 H LYS A 158 15.985 2.489 20.610 1.00 0.00 H ATOM 1201 HZ1 LYS A 158 14.354 -0.836 16.393 1.00 0.00 H ATOM 1202 HZ2 LYS A 158 14.173 -2.459 16.794 1.00 0.00 H ATOM 1203 HZ3 LYS A 158 14.272 -1.278 18.006 1.00 0.00 H ATOM 1204 N TYR A 159 18.713 3.860 20.922 1.00 10.16 N ATOM 1205 CA TYR A 159 19.736 4.914 20.869 1.00 8.40 C ATOM 1206 C TYR A 159 20.909 4.843 21.849 1.00 7.08 C ATOM 1207 O TYR A 159 22.012 5.237 21.501 1.00 7.29 O ATOM 1208 CB TYR A 159 19.105 6.306 20.891 1.00 6.35 C ATOM 1209 CG TYR A 159 18.146 6.588 19.748 1.00 6.38 C ATOM 1210 CD1 TYR A 159 17.856 5.625 18.782 1.00 6.08 C ATOM 1211 CD2 TYR A 159 17.507 7.818 19.657 1.00 3.59 C ATOM 1212 CE1 TYR A 159 16.934 5.888 17.742 1.00 3.45 C ATOM 1213 CE2 TYR A 159 16.599 8.091 18.646 1.00 6.79 C ATOM 1214 CZ TYR A 159 16.312 7.126 17.693 1.00 3.78 C ATOM 1215 OH TYR A 159 15.382 7.416 16.721 1.00 7.90 O ATOM 1216 H TYR A 159 17.800 4.094 21.189 1.00 0.00 H ATOM 1217 HH TYR A 159 14.992 8.257 16.926 1.00 0.00 H ATOM 1218 N GLY A 160 20.677 4.358 23.061 1.00 7.72 N ATOM 1219 CA GLY A 160 21.763 4.238 24.014 1.00 5.01 C ATOM 1220 C GLY A 160 22.781 3.259 23.468 1.00 9.51 C ATOM 1221 O GLY A 160 23.999 3.475 23.573 1.00 10.06 O ATOM 1222 H GLY A 160 19.774 4.088 23.334 1.00 0.00 H ATOM 1223 N MET A 161 22.277 2.172 22.889 1.00 8.36 N ATOM 1224 CA MET A 161 23.106 1.136 22.305 1.00 10.30 C ATOM 1225 C MET A 161 23.745 1.631 21.008 1.00 10.82 C ATOM 1226 O MET A 161 24.901 1.314 20.726 1.00 8.44 O ATOM 1227 CB MET A 161 22.294 -0.139 22.081 1.00 14.72 C ATOM 1228 CG MET A 161 23.111 -1.299 21.520 1.00 30.84 C ATOM 1229 SD MET A 161 24.776 -1.730 22.455 1.00 46.80 S ATOM 1230 CE MET A 161 24.667 -3.643 22.465 1.00 46.66 C ATOM 1231 H MET A 161 21.299 2.058 22.884 1.00 0.00 H ATOM 1232 N LEU A 162 23.014 2.445 20.249 1.00 9.11 N ATOM 1233 CA LEU A 162 23.537 3.014 19.002 1.00 9.15 C ATOM 1234 C LEU A 162 24.750 3.897 19.349 1.00 8.15 C ATOM 1235 O LEU A 162 25.793 3.868 18.673 1.00 6.81 O ATOM 1236 CB LEU A 162 22.450 3.857 18.318 1.00 7.68 C ATOM 1237 CG LEU A 162 22.879 4.742 17.139 1.00 10.04 C ATOM 1238 CD1 LEU A 162 23.370 3.875 15.986 1.00 8.85 C ATOM 1239 CD2 LEU A 162 21.719 5.648 16.691 1.00 6.65 C ATOM 1240 H LEU A 162 22.096 2.646 20.524 1.00 0.00 H ATOM 1241 N ALA A 163 24.600 4.687 20.405 1.00 5.03 N ATOM 1242 CA ALA A 163 25.675 5.567 20.856 1.00 7.16 C ATOM 1243 C ALA A 163 26.926 4.743 21.177 1.00 8.71 C ATOM 1244 O ALA A 163 28.035 5.101 20.791 1.00 8.31 O ATOM 1245 CB ALA A 163 25.219 6.382 22.077 1.00 6.01 C ATOM 1246 H ALA A 163 23.748 4.687 20.888 1.00 0.00 H ATOM 1247 N ARG A 164 26.737 3.605 21.836 1.00 9.04 N ATOM 1248 CA ARG A 164 27.853 2.732 22.165 1.00 11.44 C ATOM 1249 C ARG A 164 28.514 2.209 20.885 1.00 13.33 C ATOM 1250 O ARG A 164 29.737 2.162 20.787 1.00 10.29 O ATOM 1251 CB ARG A 164 27.374 1.572 23.041 1.00 10.50 C ATOM 1252 CG ARG A 164 28.352 0.410 23.164 1.00 15.35 C ATOM 1253 CD ARG A 164 29.715 0.866 23.643 1.00 17.84 C ATOM 1254 NE ARG A 164 29.650 1.550 24.928 1.00 19.48 N ATOM 1255 CZ ARG A 164 30.689 2.152 25.496 1.00 18.48 C ATOM 1256 NH1 ARG A 164 31.873 2.151 24.885 1.00 17.84 N ATOM 1257 NH2 ARG A 164 30.542 2.744 26.670 1.00 14.33 N ATOM 1258 H ARG A 164 25.826 3.358 22.102 1.00 0.00 H ATOM 1259 HE ARG A 164 28.774 1.563 25.377 1.00 0.00 H ATOM 1260 HH11 ARG A 164 31.999 1.660 23.995 1.00 0.00 H ATOM 1261 HH12 ARG A 164 32.706 2.563 25.241 1.00 0.00 H ATOM 1262 HH21 ARG A 164 29.639 2.741 27.137 1.00 0.00 H ATOM 1263 HH22 ARG A 164 31.283 3.211 27.145 1.00 0.00 H ATOM 1264 N LEU A 165 27.712 1.813 19.902 1.00 8.13 N ATOM 1265 CA LEU A 165 28.270 1.315 18.655 1.00 8.59 C ATOM 1266 C LEU A 165 29.087 2.434 18.010 1.00 7.54 C ATOM 1267 O LEU A 165 30.152 2.184 17.427 1.00 6.20 O ATOM 1268 CB LEU A 165 27.149 0.864 17.716 1.00 9.84 C ATOM 1269 CG LEU A 165 26.321 -0.322 18.207 1.00 10.99 C ATOM 1270 CD1 LEU A 165 25.149 -0.576 17.242 1.00 12.55 C ATOM 1271 CD2 LEU A 165 27.234 -1.554 18.332 1.00 9.80 C ATOM 1272 H LEU A 165 26.740 1.852 20.027 1.00 0.00 H ATOM 1273 N ALA A 166 28.603 3.667 18.153 1.00 4.68 N ATOM 1274 CA ALA A 166 29.279 4.849 17.604 1.00 4.98 C ATOM 1275 C ALA A 166 30.686 4.994 18.197 1.00 8.56 C ATOM 1276 O ALA A 166 31.645 5.358 17.494 1.00 9.20 O ATOM 1277 CB ALA A 166 28.457 6.093 17.867 1.00 3.04 C ATOM 1278 H ALA A 166 27.757 3.793 18.633 1.00 0.00 H ATOM 1279 N VAL A 167 30.808 4.701 19.489 1.00 7.12 N ATOM 1280 CA VAL A 167 32.099 4.750 20.180 1.00 5.81 C ATOM 1281 C VAL A 167 32.984 3.624 19.652 1.00 8.39 C ATOM 1282 O VAL A 167 34.153 3.838 19.319 1.00 8.01 O ATOM 1283 CB VAL A 167 31.910 4.560 21.685 1.00 7.11 C ATOM 1284 CG1 VAL A 167 33.278 4.412 22.378 1.00 10.68 C ATOM 1285 CG2 VAL A 167 31.152 5.737 22.253 1.00 6.33 C ATOM 1286 H VAL A 167 29.999 4.461 19.993 1.00 0.00 H ATOM 1287 N GLU A 168 32.417 2.429 19.525 1.00 7.15 N ATOM 1288 CA GLU A 168 33.196 1.301 19.037 1.00 7.01 C ATOM 1289 C GLU A 168 33.548 1.486 17.574 1.00 10.24 C ATOM 1290 O GLU A 168 34.483 0.877 17.078 1.00 11.77 O ATOM 1291 CB GLU A 168 32.460 -0.017 19.261 1.00 9.92 C ATOM 1292 CG GLU A 168 32.049 -0.265 20.727 1.00 20.25 C ATOM 1293 CD GLU A 168 33.185 -0.055 21.733 1.00 28.38 C ATOM 1294 OE1 GLU A 168 34.297 -0.572 21.488 1.00 34.54 O ATOM 1295 OE2 GLU A 168 32.969 0.618 22.775 1.00 28.30 O ATOM 1296 H GLU A 168 31.493 2.277 19.810 1.00 0.00 H ATOM 1297 N ALA A 169 32.812 2.359 16.889 1.00 12.31 N ATOM 1298 CA ALA A 169 33.048 2.647 15.472 1.00 9.52 C ATOM 1299 C ALA A 169 34.201 3.627 15.280 1.00 5.99 C ATOM 1300 O ALA A 169 34.654 3.857 14.155 1.00 4.81 O ATOM 1301 CB ALA A 169 31.771 3.182 14.814 1.00 6.73 C ATOM 1302 H ALA A 169 32.082 2.811 17.351 1.00 0.00 H ATOM 1303 N GLY A 170 34.629 4.252 16.370 1.00 5.00 N ATOM 1304 CA GLY A 170 35.761 5.158 16.300 1.00 5.01 C ATOM 1305 C GLY A 170 35.457 6.626 16.325 1.00 7.55 C ATOM 1306 O GLY A 170 36.348 7.439 16.058 1.00 9.75 O ATOM 1307 H GLY A 170 34.204 4.099 17.238 1.00 0.00 H ATOM 1308 N PHE A 171 34.201 6.993 16.556 1.00 6.02 N ATOM 1309 CA PHE A 171 33.910 8.415 16.632 1.00 6.42 C ATOM 1310 C PHE A 171 34.709 8.966 17.824 1.00 11.41 C ATOM 1311 O PHE A 171 34.821 8.303 18.863 1.00 9.66 O ATOM 1312 CB PHE A 171 32.414 8.667 16.778 1.00 2.47 C ATOM 1313 CG PHE A 171 31.700 8.713 15.467 1.00 4.84 C ATOM 1314 CD1 PHE A 171 31.765 9.855 14.673 1.00 5.17 C ATOM 1315 CD2 PHE A 171 30.981 7.612 15.006 1.00 6.33 C ATOM 1316 CE1 PHE A 171 31.133 9.907 13.447 1.00 3.53 C ATOM 1317 CE2 PHE A 171 30.339 7.654 13.765 1.00 6.77 C ATOM 1318 CZ PHE A 171 30.418 8.818 12.987 1.00 2.76 C ATOM 1319 H PHE A 171 33.498 6.323 16.700 1.00 0.00 H ATOM 1320 N ASP A 172 35.303 10.142 17.653 1.00 7.34 N ATOM 1321 CA ASP A 172 36.117 10.748 18.707 1.00 9.54 C ATOM 1322 C ASP A 172 35.350 11.289 19.911 1.00 7.58 C ATOM 1323 O ASP A 172 35.923 11.486 20.986 1.00 9.12 O ATOM 1324 CB ASP A 172 37.037 11.805 18.099 1.00 8.62 C ATOM 1325 CG ASP A 172 37.892 11.231 16.981 1.00 10.05 C ATOM 1326 OD1 ASP A 172 38.666 10.293 17.238 1.00 9.95 O ATOM 1327 OD2 ASP A 172 37.767 11.684 15.837 1.00 8.77 O ATOM 1328 H ASP A 172 35.217 10.629 16.807 1.00 0.00 H ATOM 1329 N TRP A 173 34.065 11.560 19.724 1.00 6.14 N ATOM 1330 CA TRP A 173 33.212 12.037 20.803 1.00 2.65 C ATOM 1331 C TRP A 173 31.783 11.637 20.449 1.00 2.51 C ATOM 1332 O TRP A 173 31.342 11.791 19.304 1.00 2.97 O ATOM 1333 CB TRP A 173 33.329 13.551 20.977 1.00 3.07 C ATOM 1334 CG TRP A 173 32.850 14.028 22.301 1.00 3.39 C ATOM 1335 CD1 TRP A 173 33.467 13.842 23.514 1.00 4.73 C ATOM 1336 CD2 TRP A 173 31.704 14.841 22.557 1.00 2.38 C ATOM 1337 NE1 TRP A 173 32.785 14.509 24.497 1.00 7.07 N ATOM 1338 CE2 TRP A 173 31.697 15.131 23.946 1.00 8.00 C ATOM 1339 CE3 TRP A 173 30.680 15.361 21.753 1.00 2.87 C ATOM 1340 CZ2 TRP A 173 30.696 15.926 24.550 1.00 6.04 C ATOM 1341 CZ3 TRP A 173 29.681 16.155 22.353 1.00 3.63 C ATOM 1342 CH2 TRP A 173 29.702 16.425 23.738 1.00 6.21 C ATOM 1343 H TRP A 173 33.680 11.471 18.823 1.00 0.00 H ATOM 1344 HE1 TRP A 173 33.058 14.532 25.442 1.00 0.00 H ATOM 1345 N VAL A 174 31.099 11.042 21.412 1.00 3.88 N ATOM 1346 CA VAL A 174 29.735 10.575 21.224 1.00 5.27 C ATOM 1347 C VAL A 174 28.975 11.077 22.420 1.00 8.52 C ATOM 1348 O VAL A 174 29.389 10.867 23.557 1.00 6.41 O ATOM 1349 CB VAL A 174 29.679 9.040 21.157 1.00 3.80 C ATOM 1350 CG1 VAL A 174 28.236 8.558 21.198 1.00 6.58 C ATOM 1351 CG2 VAL A 174 30.386 8.548 19.875 1.00 8.29 C ATOM 1352 H VAL A 174 31.506 10.911 22.297 1.00 0.00 H ATOM 1353 N TYR A 175 27.848 11.714 22.147 1.00 7.96 N ATOM 1354 CA TYR A 175 27.019 12.327 23.170 1.00 7.97 C ATOM 1355 C TYR A 175 25.535 12.045 22.945 1.00 7.70 C ATOM 1356 O TYR A 175 24.978 12.396 21.903 1.00 9.61 O ATOM 1357 CB TYR A 175 27.308 13.830 23.125 1.00 5.87 C ATOM 1358 CG TYR A 175 26.438 14.732 23.963 1.00 6.66 C ATOM 1359 CD1 TYR A 175 26.097 14.403 25.277 1.00 7.71 C ATOM 1360 CD2 TYR A 175 25.998 15.957 23.449 1.00 5.12 C ATOM 1361 CE1 TYR A 175 25.334 15.283 26.063 1.00 12.42 C ATOM 1362 CE2 TYR A 175 25.247 16.836 24.216 1.00 7.28 C ATOM 1363 CZ TYR A 175 24.916 16.493 25.521 1.00 10.01 C ATOM 1364 OH TYR A 175 24.152 17.349 26.270 1.00 12.87 O ATOM 1365 H TYR A 175 27.540 11.748 21.222 1.00 0.00 H ATOM 1366 HH TYR A 175 24.210 17.028 27.177 1.00 0.00 H ATOM 1367 N TYR A 176 24.914 11.371 23.911 1.00 9.89 N ATOM 1368 CA TYR A 176 23.478 11.063 23.873 1.00 7.77 C ATOM 1369 C TYR A 176 22.806 12.412 24.191 1.00 8.97 C ATOM 1370 O TYR A 176 22.317 12.655 25.305 1.00 12.36 O ATOM 1371 CB TYR A 176 23.169 10.020 24.956 1.00 11.06 C ATOM 1372 CG TYR A 176 21.853 9.272 24.812 1.00 8.18 C ATOM 1373 CD1 TYR A 176 20.717 9.882 24.271 1.00 11.12 C ATOM 1374 CD2 TYR A 176 21.740 7.955 25.252 1.00 12.32 C ATOM 1375 CE1 TYR A 176 19.509 9.198 24.176 1.00 9.46 C ATOM 1376 CE2 TYR A 176 20.530 7.262 25.161 1.00 10.89 C ATOM 1377 CZ TYR A 176 19.425 7.888 24.622 1.00 7.91 C ATOM 1378 OH TYR A 176 18.240 7.189 24.529 1.00 13.47 O ATOM 1379 H TYR A 176 25.440 11.080 24.688 1.00 0.00 H ATOM 1380 HH TYR A 176 18.393 6.282 24.832 1.00 0.00 H ATOM 1381 N GLU A 177 22.831 13.295 23.203 1.00 7.85 N ATOM 1382 CA GLU A 177 22.320 14.647 23.319 1.00 8.99 C ATOM 1383 C GLU A 177 20.844 14.844 23.650 1.00 10.77 C ATOM 1384 O GLU A 177 20.492 15.685 24.491 1.00 13.78 O ATOM 1385 CB GLU A 177 22.661 15.411 22.051 1.00 9.62 C ATOM 1386 CG GLU A 177 22.383 16.889 22.131 1.00 11.64 C ATOM 1387 CD GLU A 177 22.801 17.632 20.879 1.00 14.78 C ATOM 1388 OE1 GLU A 177 23.125 17.001 19.853 1.00 16.13 O ATOM 1389 OE2 GLU A 177 22.775 18.868 20.900 1.00 22.88 O ATOM 1390 H GLU A 177 23.210 13.016 22.347 1.00 0.00 H ATOM 1391 N SER A 178 19.977 14.154 22.930 1.00 9.99 N ATOM 1392 CA SER A 178 18.556 14.289 23.184 1.00 12.65 C ATOM 1393 C SER A 178 17.935 12.941 22.975 1.00 13.11 C ATOM 1394 O SER A 178 18.592 12.018 22.474 1.00 10.01 O ATOM 1395 CB SER A 178 17.922 15.307 22.240 1.00 17.60 C ATOM 1396 OG SER A 178 18.000 14.861 20.912 1.00 24.50 O ATOM 1397 H SER A 178 20.285 13.485 22.277 1.00 0.00 H ATOM 1398 HG SER A 178 18.932 14.654 20.829 1.00 0.00 H ATOM 1399 N LYS A 179 16.672 12.815 23.367 1.00 11.76 N ATOM 1400 CA LYS A 179 15.956 11.559 23.192 1.00 10.28 C ATOM 1401 C LYS A 179 15.859 11.222 21.705 1.00 6.87 C ATOM 1402 O LYS A 179 15.769 10.058 21.336 1.00 7.69 O ATOM 1403 CB LYS A 179 14.543 11.689 23.764 1.00 14.83 C ATOM 1404 CG LYS A 179 14.489 12.044 25.251 1.00 22.12 C ATOM 1405 CD LYS A 179 15.145 10.951 26.083 1.00 34.28 C ATOM 1406 CE LYS A 179 14.741 11.047 27.550 1.00 43.96 C ATOM 1407 NZ LYS A 179 13.267 10.856 27.736 1.00 52.05 N ATOM 1408 H LYS A 179 16.214 13.594 23.751 1.00 0.00 H ATOM 1409 HZ1 LYS A 179 12.972 9.931 27.365 1.00 0.00 H ATOM 1410 HZ2 LYS A 179 13.006 10.901 28.747 1.00 0.00 H ATOM 1411 HZ3 LYS A 179 12.771 11.599 27.210 1.00 0.00 H ATOM 1412 N ALA A 180 15.894 12.247 20.859 1.00 7.87 N ATOM 1413 CA ALA A 180 15.763 12.064 19.417 1.00 9.11 C ATOM 1414 C ALA A 180 17.018 11.696 18.644 1.00 8.40 C ATOM 1415 O ALA A 180 16.924 11.331 17.474 1.00 8.72 O ATOM 1416 CB ALA A 180 15.117 13.284 18.783 1.00 2.75 C ATOM 1417 H ALA A 180 15.981 13.155 21.215 1.00 0.00 H ATOM 1418 N HIS A 181 18.190 11.775 19.268 1.00 8.36 N ATOM 1419 CA HIS A 181 19.403 11.437 18.531 1.00 5.85 C ATOM 1420 C HIS A 181 20.646 11.435 19.374 1.00 7.51 C ATOM 1421 O HIS A 181 20.690 12.066 20.438 1.00 5.98 O ATOM 1422 CB HIS A 181 19.635 12.436 17.385 1.00 7.28 C ATOM 1423 CG HIS A 181 19.986 13.821 17.841 1.00 8.20 C ATOM 1424 ND1 HIS A 181 19.132 14.892 17.687 1.00 16.32 N ATOM 1425 CD2 HIS A 181 21.095 14.307 18.452 1.00 12.34 C ATOM 1426 CE1 HIS A 181 19.695 15.978 18.190 1.00 11.71 C ATOM 1427 NE2 HIS A 181 20.885 15.648 18.661 1.00 17.78 N ATOM 1428 H HIS A 181 18.245 11.983 20.226 1.00 0.00 H ATOM 1429 HD1 HIS A 181 18.257 14.885 17.240 1.00 0.00 H ATOM 1430 HE2 HIS A 181 21.479 16.277 19.126 1.00 0.00 H ATOM 1431 N ILE A 182 21.679 10.827 18.795 1.00 7.31 N ATOM 1432 CA ILE A 182 23.015 10.755 19.365 1.00 3.92 C ATOM 1433 C ILE A 182 23.903 11.695 18.528 1.00 6.28 C ATOM 1434 O ILE A 182 23.856 11.673 17.300 1.00 7.81 O ATOM 1435 CB ILE A 182 23.603 9.331 19.266 1.00 5.94 C ATOM 1436 CG1 ILE A 182 22.644 8.303 19.874 1.00 4.73 C ATOM 1437 CG2 ILE A 182 24.971 9.281 19.943 1.00 5.20 C ATOM 1438 CD1 ILE A 182 22.166 8.631 21.292 1.00 5.23 C ATOM 1439 H ILE A 182 21.550 10.384 17.927 1.00 0.00 H ATOM 1440 N HIS A 183 24.633 12.578 19.192 1.00 2.97 N ATOM 1441 CA HIS A 183 25.534 13.501 18.516 1.00 5.06 C ATOM 1442 C HIS A 183 26.909 12.823 18.477 1.00 6.77 C ATOM 1443 O HIS A 183 27.428 12.400 19.511 1.00 6.29 O ATOM 1444 CB HIS A 183 25.589 14.835 19.273 1.00 2.00 C ATOM 1445 CG HIS A 183 26.703 15.748 18.842 1.00 5.57 C ATOM 1446 ND1 HIS A 183 26.499 16.829 18.015 1.00 3.72 N ATOM 1447 CD2 HIS A 183 28.022 15.771 19.164 1.00 4.73 C ATOM 1448 CE1 HIS A 183 27.639 17.477 17.839 1.00 8.57 C ATOM 1449 NE2 HIS A 183 28.578 16.856 18.526 1.00 3.60 N ATOM 1450 H HIS A 183 24.587 12.577 20.158 1.00 0.00 H ATOM 1451 HD1 HIS A 183 25.606 17.118 17.731 1.00 0.00 H ATOM 1452 HE2 HIS A 183 29.524 17.113 18.585 1.00 0.00 H ATOM 1453 N CYS A 184 27.488 12.721 17.285 1.00 6.60 N ATOM 1454 CA CYS A 184 28.793 12.078 17.116 1.00 6.54 C ATOM 1455 C CYS A 184 29.714 13.020 16.362 1.00 6.28 C ATOM 1456 O CYS A 184 29.299 13.612 15.372 1.00 6.98 O ATOM 1457 CB CYS A 184 28.636 10.785 16.297 1.00 6.30 C ATOM 1458 SG CYS A 184 27.532 9.545 17.007 1.00 8.66 S ATOM 1459 H CYS A 184 27.046 12.993 16.469 1.00 0.00 H ATOM 1460 N SER A 185 30.948 13.178 16.836 1.00 5.91 N ATOM 1461 CA SER A 185 31.899 14.055 16.163 1.00 3.42 C ATOM 1462 C SER A 185 33.285 13.424 16.020 1.00 2.85 C ATOM 1463 O SER A 185 33.602 12.416 16.671 1.00 2.99 O ATOM 1464 CB SER A 185 32.010 15.384 16.903 1.00 5.77 C ATOM 1465 OG SER A 185 32.503 15.206 18.217 1.00 5.10 O ATOM 1466 H SER A 185 31.251 12.732 17.646 1.00 0.00 H ATOM 1467 HG SER A 185 33.436 15.018 18.159 1.00 0.00 H ATOM 1468 N VAL A 186 34.085 13.994 15.128 1.00 3.50 N ATOM 1469 CA VAL A 186 35.439 13.506 14.869 1.00 4.24 C ATOM 1470 C VAL A 186 36.439 14.650 14.905 1.00 2.00 C ATOM 1471 O VAL A 186 36.071 15.819 14.757 1.00 4.90 O ATOM 1472 CB VAL A 186 35.572 12.843 13.451 1.00 5.86 C ATOM 1473 CG1 VAL A 186 34.754 11.557 13.350 1.00 5.62 C ATOM 1474 CG2 VAL A 186 35.176 13.826 12.362 1.00 3.08 C ATOM 1475 H VAL A 186 33.768 14.782 14.635 1.00 0.00 H ATOM 1476 N LYS A 187 37.712 14.293 15.047 1.00 6.86 N ATOM 1477 CA LYS A 187 38.822 15.243 15.041 1.00 8.53 C ATOM 1478 C LYS A 187 39.018 15.727 13.600 1.00 8.03 C ATOM 1479 O LYS A 187 38.585 15.075 12.647 1.00 7.45 O ATOM 1480 CB LYS A 187 40.138 14.547 15.425 1.00 4.55 C ATOM 1481 CG LYS A 187 40.176 13.893 16.764 1.00 12.04 C ATOM 1482 CD LYS A 187 41.443 13.094 16.920 1.00 8.79 C ATOM 1483 CE LYS A 187 41.503 12.425 18.290 1.00 15.67 C ATOM 1484 NZ LYS A 187 41.441 13.379 19.441 1.00 12.59 N ATOM 1485 H LYS A 187 37.934 13.357 15.105 1.00 0.00 H ATOM 1486 HZ1 LYS A 187 42.235 14.069 19.427 1.00 0.00 H ATOM 1487 HZ2 LYS A 187 40.523 13.870 19.444 1.00 0.00 H ATOM 1488 HZ3 LYS A 187 41.497 12.850 20.326 1.00 0.00 H ATOM 1489 N ALA A 188 39.681 16.863 13.448 1.00 10.32 N ATOM 1490 CA ALA A 188 40.001 17.382 12.133 1.00 12.88 C ATOM 1491 C ALA A 188 41.276 16.608 11.775 1.00 15.99 C ATOM 1492 O ALA A 188 41.936 16.037 12.660 1.00 12.30 O ATOM 1493 CB ALA A 188 40.299 18.865 12.224 1.00 12.21 C ATOM 1494 H ALA A 188 39.999 17.334 14.228 1.00 0.00 H ATOM 1495 N GLU A 189 41.634 16.552 10.503 1.00 18.56 N ATOM 1496 CA GLU A 189 42.867 15.848 10.158 1.00 28.71 C ATOM 1497 C GLU A 189 44.087 16.488 10.842 1.00 29.98 C ATOM 1498 O GLU A 189 44.985 15.785 11.307 1.00 34.50 O ATOM 1499 CB GLU A 189 43.047 15.770 8.646 1.00 33.25 C ATOM 1500 CG GLU A 189 42.132 14.738 7.995 1.00 39.80 C ATOM 1501 CD GLU A 189 42.365 13.325 8.521 1.00 43.99 C ATOM 1502 OE1 GLU A 189 43.534 12.956 8.772 1.00 43.20 O ATOM 1503 OE2 GLU A 189 41.376 12.573 8.676 1.00 46.02 O ATOM 1504 H GLU A 189 41.057 16.956 9.816 1.00 0.00 H ATOM 1505 N ASN A 190 44.069 17.810 10.997 1.00 30.94 N ATOM 1506 CA ASN A 190 45.171 18.517 11.659 1.00 33.31 C ATOM 1507 C ASN A 190 45.381 17.984 13.088 1.00 32.27 C ATOM 1508 O ASN A 190 46.499 17.963 13.602 1.00 34.11 O ATOM 1509 CB ASN A 190 44.887 20.028 11.715 1.00 35.26 C ATOM 1510 CG ASN A 190 44.424 20.486 13.088 1.00 36.33 C ATOM 1511 OD1 ASN A 190 43.300 20.208 13.496 1.00 42.15 O ATOM 1512 ND2 ASN A 190 45.316 21.121 13.835 1.00 37.77 N ATOM 1513 H ASN A 190 43.289 18.310 10.677 1.00 0.00 H ATOM 1514 HD21 ASN A 190 45.016 21.422 14.714 1.00 0.00 H ATOM 1515 HD22 ASN A 190 46.223 21.253 13.490 1.00 0.00 H ATOM 1516 N SER A 191 44.292 17.563 13.721 1.00 29.51 N ATOM 1517 CA SER A 191 44.345 17.060 15.079 1.00 28.62 C ATOM 1518 C SER A 191 44.735 15.590 15.147 1.00 31.85 C ATOM 1519 O SER A 191 45.334 15.161 16.137 1.00 35.23 O ATOM 1520 CB SER A 191 43.000 17.278 15.763 1.00 28.25 C ATOM 1521 OG SER A 191 43.104 17.164 17.173 1.00 36.15 O ATOM 1522 H SER A 191 43.420 17.590 13.277 1.00 0.00 H ATOM 1523 HG SER A 191 42.204 17.266 17.510 1.00 0.00 H ATOM 1524 N VAL A 192 44.397 14.810 14.119 1.00 32.36 N ATOM 1525 CA VAL A 192 44.747 13.392 14.141 1.00 32.57 C ATOM 1526 C VAL A 192 46.271 13.251 14.082 1.00 31.32 C ATOM 1527 O VAL A 192 46.842 12.349 14.697 1.00 33.54 O ATOM 1528 CB VAL A 192 44.060 12.562 13.008 1.00 33.09 C ATOM 1529 CG1 VAL A 192 42.599 12.931 12.891 1.00 32.72 C ATOM 1530 CG2 VAL A 192 44.766 12.742 11.686 1.00 37.71 C ATOM 1531 H VAL A 192 43.935 15.184 13.337 1.00 0.00 H ATOM 1532 N ALA A 193 46.919 14.153 13.353 1.00 26.95 N ATOM 1533 CA ALA A 193 48.370 14.150 13.240 1.00 26.17 C ATOM 1534 C ALA A 193 48.828 15.537 13.670 1.00 25.48 C ATOM 1535 O ALA A 193 49.234 16.362 12.850 1.00 25.92 O ATOM 1536 CB ALA A 193 48.797 13.864 11.808 1.00 23.86 C ATOM 1537 H ALA A 193 46.414 14.831 12.847 1.00 0.00 H ATOM 1538 N ALA A 194 48.728 15.812 14.963 1.00 20.64 N ATOM 1539 CA ALA A 194 49.127 17.114 15.450 1.00 18.47 C ATOM 1540 C ALA A 194 50.651 17.230 15.564 1.00 16.76 C ATOM 1541 O ALA A 194 51.334 16.283 15.965 1.00 16.61 O ATOM 1542 CB ALA A 194 48.452 17.401 16.759 1.00 19.97 C ATOM 1543 H ALA A 194 48.373 15.120 15.562 1.00 0.00 H ATOM 1544 N LYS A 195 51.165 18.381 15.152 1.00 17.17 N ATOM 1545 CA LYS A 195 52.591 18.678 15.181 1.00 15.64 C ATOM 1546 C LYS A 195 53.115 18.665 16.612 1.00 14.43 C ATOM 1547 O LYS A 195 54.263 18.215 16.813 1.00 11.71 O ATOM 1548 CB LYS A 195 52.834 20.049 14.552 1.00 21.32 C ATOM 1549 CG LYS A 195 54.250 20.287 14.101 1.00 20.66 C ATOM 1550 CD LYS A 195 54.563 19.539 12.826 1.00 22.20 C ATOM 1551 CE LYS A 195 56.030 19.718 12.474 1.00 23.46 C ATOM 1552 NZ LYS A 195 56.380 19.025 11.214 1.00 28.72 N ATOM 1553 OXT LYS A 195 52.373 19.092 17.524 1.00 10.31 O ATOM 1554 H LYS A 195 50.553 19.022 14.760 1.00 0.00 H ATOM 1555 HZ1 LYS A 195 55.783 19.422 10.458 1.00 0.00 H ATOM 1556 HZ2 LYS A 195 57.363 19.245 10.931 1.00 0.00 H ATOM 1557 HZ3 LYS A 195 56.232 18.002 11.284 1.00 0.00 H TER 1558 LYS A 195 HETATM 1559 ZN ZN A 400 24.856 17.220 16.798 1.00 7.53 ZN HETATM 1560 S SO4 A 401 13.791 12.398 14.132 1.00 15.20 S HETATM 1561 O1 SO4 A 401 14.065 11.014 14.009 1.00 12.09 O HETATM 1562 O2 SO4 A 401 12.818 12.561 15.207 1.00 18.70 O HETATM 1563 O3 SO4 A 401 14.974 13.050 14.476 1.00 24.67 O HETATM 1564 O4 SO4 A 401 13.346 12.939 12.897 1.00 17.94 O HETATM 1565 O HOH A 201 23.864 18.551 17.998 1.00 10.05 O HETATM 1566 H1 HOH A 201 23.052 18.301 18.458 1.00 0.00 H HETATM 1567 H2 HOH A 201 24.173 19.230 18.610 1.00 0.00 H HETATM 1568 O HOH A 202 16.134 8.187 23.328 1.00 12.11 O HETATM 1569 H1 HOH A 202 17.070 8.343 23.485 1.00 0.00 H HETATM 1570 H2 HOH A 202 16.155 7.289 23.004 1.00 0.00 H HETATM 1571 O HOH A 203 17.978 4.459 24.335 1.00 10.02 O HETATM 1572 H1 HOH A 203 17.215 4.782 23.826 1.00 0.00 H HETATM 1573 H2 HOH A 203 17.583 3.864 24.985 1.00 0.00 H HETATM 1574 O HOH A 204 18.274 16.957 7.921 1.00 16.43 O HETATM 1575 H1 HOH A 204 19.196 16.694 7.771 1.00 0.00 H HETATM 1576 H2 HOH A 204 18.342 17.280 8.836 1.00 0.00 H HETATM 1577 O HOH A 205 20.861 18.013 4.098 1.00 13.84 O HETATM 1578 H1 HOH A 205 20.749 17.905 5.055 1.00 0.00 H HETATM 1579 H2 HOH A 205 19.954 17.928 3.784 1.00 0.00 H HETATM 1580 O HOH A 206 23.401 0.884 8.461 1.00 5.67 O HETATM 1581 H1 HOH A 206 23.422 0.960 7.501 1.00 0.00 H HETATM 1582 H2 HOH A 206 24.011 0.158 8.610 1.00 0.00 H HETATM 1583 O HOH A 207 26.912 26.846 3.079 1.00 10.86 O HETATM 1584 H1 HOH A 207 26.254 27.518 3.356 1.00 0.00 H HETATM 1585 H2 HOH A 207 26.336 26.071 3.000 1.00 0.00 H HETATM 1586 O HOH A 208 27.353 15.845 7.097 1.00 12.22 O HETATM 1587 H1 HOH A 208 27.638 16.216 6.252 1.00 0.00 H HETATM 1588 H2 HOH A 208 26.884 15.042 6.846 1.00 0.00 H HETATM 1589 O HOH A 209 28.194 26.341 7.851 1.00 15.75 O HETATM 1590 H1 HOH A 209 27.530 25.689 8.110 1.00 0.00 H HETATM 1591 H2 HOH A 209 28.735 25.831 7.237 1.00 0.00 H HETATM 1592 O HOH A 210 29.001 16.927 9.610 1.00 21.06 O HETATM 1593 H1 HOH A 210 28.571 16.213 10.091 1.00 0.00 H HETATM 1594 H2 HOH A 210 28.640 16.768 8.722 1.00 0.00 H HETATM 1595 O HOH A 211 29.560 0.928 5.611 1.00 9.60 O HETATM 1596 H1 HOH A 211 29.027 0.111 5.468 1.00 0.00 H HETATM 1597 H2 HOH A 211 29.864 0.797 6.513 1.00 0.00 H HETATM 1598 O HOH A 212 29.824 20.113 17.840 1.00 6.92 O HETATM 1599 H1 HOH A 212 30.378 19.428 18.250 1.00 0.00 H HETATM 1600 H2 HOH A 212 29.244 20.361 18.576 1.00 0.00 H HETATM 1601 O HOH A 213 30.198 7.665 -1.167 1.00 16.23 O HETATM 1602 H1 HOH A 213 30.695 8.412 -1.535 1.00 0.00 H HETATM 1603 H2 HOH A 213 29.895 7.242 -1.983 1.00 0.00 H HETATM 1604 O HOH A 214 30.590 -0.099 16.157 1.00 8.93 O HETATM 1605 H1 HOH A 214 31.341 -0.289 15.545 1.00 0.00 H HETATM 1606 H2 HOH A 214 30.868 0.758 16.497 1.00 0.00 H HETATM 1607 O HOH A 215 32.764 -0.603 14.485 1.00 12.93 O HETATM 1608 H1 HOH A 215 32.674 -1.002 13.593 1.00 0.00 H HETATM 1609 H2 HOH A 215 33.371 -1.240 14.907 1.00 0.00 H HETATM 1610 O HOH A 216 33.900 8.306 21.649 1.00 6.97 O HETATM 1611 H1 HOH A 216 34.159 8.461 20.730 1.00 0.00 H HETATM 1612 H2 HOH A 216 33.447 9.115 21.900 1.00 0.00 H HETATM 1613 O HOH A 217 35.064 2.880 7.436 1.00 11.87 O HETATM 1614 H1 HOH A 217 35.693 3.460 6.997 1.00 0.00 H HETATM 1615 H2 HOH A 217 34.934 3.320 8.281 1.00 0.00 H HETATM 1616 O HOH A 218 35.945 5.962 19.687 1.00 14.94 O HETATM 1617 H1 HOH A 218 36.660 6.554 19.386 1.00 0.00 H HETATM 1618 H2 HOH A 218 35.172 6.504 19.512 1.00 0.00 H HETATM 1619 O HOH A 219 36.032 6.753 22.680 1.00 13.46 O HETATM 1620 H1 HOH A 219 35.214 7.254 22.485 1.00 0.00 H HETATM 1621 H2 HOH A 219 36.032 6.152 21.917 1.00 0.00 H HETATM 1622 O HOH A 220 37.803 15.271 9.963 1.00 4.23 O HETATM 1623 H1 HOH A 220 38.293 15.144 10.787 1.00 0.00 H HETATM 1624 H2 HOH A 220 38.385 14.859 9.294 1.00 0.00 H HETATM 1625 O HOH A 221 37.633 25.016 19.696 1.00 14.98 O HETATM 1626 H1 HOH A 221 37.036 25.213 20.432 1.00 0.00 H HETATM 1627 H2 HOH A 221 38.468 25.409 20.029 1.00 0.00 H HETATM 1628 O HOH A 222 38.328 10.519 21.465 1.00 7.76 O HETATM 1629 H1 HOH A 222 38.771 10.915 22.221 1.00 0.00 H HETATM 1630 H2 HOH A 222 37.783 11.236 21.131 1.00 0.00 H HETATM 1631 O HOH A 223 38.336 15.438 4.630 1.00 17.64 O HETATM 1632 H1 HOH A 223 39.123 15.899 4.325 1.00 0.00 H HETATM 1633 H2 HOH A 223 37.653 15.912 4.120 1.00 0.00 H HETATM 1634 O HOH A 224 41.369 10.146 10.207 1.00 11.96 O HETATM 1635 H1 HOH A 224 41.744 11.043 10.037 1.00 0.00 H HETATM 1636 H2 HOH A 224 41.316 9.891 9.272 1.00 0.00 H HETATM 1637 O HOH A 225 14.653 9.883 16.605 1.00 5.52 O HETATM 1638 H1 HOH A 225 14.315 10.457 15.880 1.00 0.00 H HETATM 1639 H2 HOH A 225 15.526 10.310 16.655 1.00 0.00 H HETATM 1640 O HOH A 226 13.996 6.382 8.425 1.00 20.75 O HETATM 1641 H1 HOH A 226 13.779 5.721 7.763 1.00 0.00 H HETATM 1642 H2 HOH A 226 13.803 5.899 9.241 1.00 0.00 H HETATM 1643 O HOH A 227 14.696 10.254 7.420 1.00 17.67 O HETATM 1644 H1 HOH A 227 14.095 9.581 7.068 1.00 0.00 H HETATM 1645 H2 HOH A 227 15.295 10.383 6.674 1.00 0.00 H HETATM 1646 O HOH A 228 18.935 11.578 1.441 1.00 21.52 O HETATM 1647 H1 HOH A 228 18.481 11.229 2.229 1.00 0.00 H HETATM 1648 H2 HOH A 228 18.696 12.513 1.486 1.00 0.00 H HETATM 1649 O HOH A 229 18.180 18.483 10.384 1.00 26.36 O HETATM 1650 H1 HOH A 229 17.859 19.189 9.794 1.00 0.00 H HETATM 1651 H2 HOH A 229 19.134 18.600 10.239 1.00 0.00 H HETATM 1652 O HOH A 230 19.084 19.282 6.021 1.00 21.90 O HETATM 1653 H1 HOH A 230 18.747 19.783 6.799 1.00 0.00 H HETATM 1654 H2 HOH A 230 19.977 19.142 6.375 1.00 0.00 H HETATM 1655 O HOH A 231 18.893 22.616 16.323 1.00 21.75 O HETATM 1656 H1 HOH A 231 19.519 23.322 16.542 1.00 0.00 H HETATM 1657 H2 HOH A 231 18.466 22.435 17.170 1.00 0.00 H HETATM 1658 O HOH A 232 20.476 7.216 1.623 1.00 30.01 O HETATM 1659 H1 HOH A 232 20.288 6.276 1.510 1.00 0.00 H HETATM 1660 H2 HOH A 232 20.995 7.195 2.445 1.00 0.00 H HETATM 1661 O HOH A 233 19.902 24.851 3.884 1.00 20.70 O HETATM 1662 H1 HOH A 233 20.218 25.427 4.602 1.00 0.00 H HETATM 1663 H2 HOH A 233 19.043 24.622 4.294 1.00 0.00 H HETATM 1664 O HOH A 234 20.753 22.683 9.336 1.00 29.97 O HETATM 1665 H1 HOH A 234 21.531 22.275 9.763 1.00 0.00 H HETATM 1666 H2 HOH A 234 21.198 23.271 8.696 1.00 0.00 H HETATM 1667 O HOH A 235 21.497 22.869 3.695 1.00 10.05 O HETATM 1668 H1 HOH A 235 20.799 23.555 3.841 1.00 0.00 H HETATM 1669 H2 HOH A 235 22.233 23.446 3.451 1.00 0.00 H HETATM 1670 O HOH A 236 22.022 19.478 7.611 1.00 28.94 O HETATM 1671 H1 HOH A 236 22.132 19.942 8.452 1.00 0.00 H HETATM 1672 H2 HOH A 236 21.606 18.677 7.955 1.00 0.00 H HETATM 1673 O HOH A 237 22.502 22.385 6.425 1.00 33.37 O HETATM 1674 H1 HOH A 237 22.583 21.424 6.582 1.00 0.00 H HETATM 1675 H2 HOH A 237 21.908 22.419 5.653 1.00 0.00 H HETATM 1676 O HOH A 238 23.231 14.770 -2.372 1.00 21.16 O HETATM 1677 H1 HOH A 238 22.915 15.489 -2.959 1.00 0.00 H HETATM 1678 H2 HOH A 238 24.144 15.054 -2.244 1.00 0.00 H HETATM 1679 O HOH A 239 24.948 19.243 -1.650 1.00 23.80 O HETATM 1680 H1 HOH A 239 24.023 18.993 -1.777 1.00 0.00 H HETATM 1681 H2 HOH A 239 25.407 18.416 -1.927 1.00 0.00 H HETATM 1682 O HOH A 240 25.340 28.797 4.032 1.00 31.75 O HETATM 1683 H1 HOH A 240 24.627 28.407 4.561 1.00 0.00 H HETATM 1684 H2 HOH A 240 25.876 29.200 4.726 1.00 0.00 H HETATM 1685 O HOH A 241 25.494 15.698 30.107 1.00 17.12 O HETATM 1686 H1 HOH A 241 25.830 15.189 29.359 1.00 0.00 H HETATM 1687 H2 HOH A 241 25.198 14.949 30.655 1.00 0.00 H HETATM 1688 O HOH A 242 26.316 -8.115 10.302 1.00 30.72 O HETATM 1689 H1 HOH A 242 27.011 -8.323 10.949 1.00 0.00 H HETATM 1690 H2 HOH A 242 26.631 -7.257 9.933 1.00 0.00 H HETATM 1691 O HOH A 243 26.578 -5.616 9.121 1.00 19.05 O HETATM 1692 H1 HOH A 243 26.665 -4.732 9.484 1.00 0.00 H HETATM 1693 H2 HOH A 243 26.919 -5.465 8.210 1.00 0.00 H HETATM 1694 O HOH A 244 26.839 -4.920 16.023 1.00 20.60 O HETATM 1695 H1 HOH A 244 26.413 -4.992 16.899 1.00 0.00 H HETATM 1696 H2 HOH A 244 26.459 -4.087 15.702 1.00 0.00 H HETATM 1697 O HOH A 245 27.872 -1.224 5.109 1.00 18.54 O HETATM 1698 H1 HOH A 245 26.955 -0.903 5.199 1.00 0.00 H HETATM 1699 H2 HOH A 245 27.715 -1.727 4.296 1.00 0.00 H HETATM 1700 O HOH A 246 27.643 -0.009 2.026 1.00 25.75 O HETATM 1701 H1 HOH A 246 26.801 -0.478 2.151 1.00 0.00 H HETATM 1702 H2 HOH A 246 27.700 0.466 2.859 1.00 0.00 H HETATM 1703 O HOH A 248 29.180 4.065 30.895 1.00 37.68 O HETATM 1704 H1 HOH A 248 29.578 3.227 31.160 1.00 0.00 H HETATM 1705 H2 HOH A 248 28.333 4.033 31.368 1.00 0.00 H HETATM 1706 O HOH A 249 30.698 8.933 -4.317 1.00 21.08 O HETATM 1707 H1 HOH A 249 30.221 9.770 -4.147 1.00 0.00 H HETATM 1708 H2 HOH A 249 31.040 9.173 -5.191 1.00 0.00 H HETATM 1709 O HOH A 251 32.091 -1.595 12.048 1.00 10.17 O HETATM 1710 H1 HOH A 251 31.258 -1.113 12.094 1.00 0.00 H HETATM 1711 H2 HOH A 251 32.002 -2.119 11.253 1.00 0.00 H HETATM 1712 O HOH A 252 33.472 15.645 31.704 1.00 25.34 O HETATM 1713 H1 HOH A 252 34.360 15.271 31.623 1.00 0.00 H HETATM 1714 H2 HOH A 252 32.943 14.866 31.479 1.00 0.00 H HETATM 1715 O HOH A 253 34.991 25.605 20.462 1.00 14.25 O HETATM 1716 H1 HOH A 253 34.376 26.353 20.501 1.00 0.00 H HETATM 1717 H2 HOH A 253 35.444 25.886 19.650 1.00 0.00 H HETATM 1718 O HOH A 254 36.739 18.255 29.976 1.00 13.78 O HETATM 1719 H1 HOH A 254 37.680 18.314 30.175 1.00 0.00 H HETATM 1720 H2 HOH A 254 36.337 18.332 30.850 1.00 0.00 H HETATM 1721 O HOH A 255 38.296 8.042 22.378 1.00 19.43 O HETATM 1722 H1 HOH A 255 37.395 7.723 22.600 1.00 0.00 H HETATM 1723 H2 HOH A 255 38.152 8.958 22.052 1.00 0.00 H HETATM 1724 O HOH A 256 40.289 18.161 15.760 1.00 11.64 O HETATM 1725 H1 HOH A 256 39.652 18.290 16.467 1.00 0.00 H HETATM 1726 H2 HOH A 256 40.542 19.099 15.569 1.00 0.00 H HETATM 1727 O HOH A 257 40.947 20.694 15.444 1.00 16.49 O HETATM 1728 H1 HOH A 257 40.447 21.471 15.148 1.00 0.00 H HETATM 1729 H2 HOH A 257 41.658 20.799 14.773 1.00 0.00 H HETATM 1730 O HOH A 258 55.863 16.591 15.091 1.00 21.09 O HETATM 1731 H1 HOH A 258 55.395 15.770 15.278 1.00 0.00 H HETATM 1732 H2 HOH A 258 55.247 17.217 15.512 1.00 0.00 H HETATM 1733 O HOH A 259 16.531 -6.796 13.654 1.00 25.73 O HETATM 1734 H1 HOH A 259 16.700 -6.245 12.878 1.00 0.00 H HETATM 1735 H2 HOH A 259 15.570 -6.748 13.720 1.00 0.00 H HETATM 1736 O HOH A 260 16.904 24.580 16.361 1.00 26.88 O HETATM 1737 H1 HOH A 260 17.372 23.837 15.938 1.00 0.00 H HETATM 1738 H2 HOH A 260 17.300 24.521 17.250 1.00 0.00 H HETATM 1739 O HOH A 261 18.453 8.678 2.411 1.00 25.96 O HETATM 1740 H1 HOH A 261 17.665 8.660 1.852 1.00 0.00 H HETATM 1741 H2 HOH A 261 19.080 8.116 1.918 1.00 0.00 H HETATM 1742 O HOH A 262 29.943 11.419 -5.062 1.00 18.11 O HETATM 1743 H1 HOH A 262 30.479 11.544 -5.862 1.00 0.00 H HETATM 1744 H2 HOH A 262 30.174 12.226 -4.574 1.00 0.00 H HETATM 1745 O HOH A 264 30.691 -2.646 17.782 1.00 20.19 O HETATM 1746 H1 HOH A 264 30.592 -1.778 17.358 1.00 0.00 H HETATM 1747 H2 HOH A 264 30.244 -3.247 17.155 1.00 0.00 H HETATM 1748 O HOH A 265 31.287 6.331 1.612 1.00 32.20 O HETATM 1749 H1 HOH A 265 31.217 5.363 1.675 1.00 0.00 H HETATM 1750 H2 HOH A 265 31.015 6.473 0.679 1.00 0.00 H HETATM 1751 O HOH A 266 36.341 20.450 8.817 1.00 18.57 O HETATM 1752 H1 HOH A 266 36.360 20.382 7.850 1.00 0.00 H HETATM 1753 H2 HOH A 266 35.416 20.254 9.024 1.00 0.00 H HETATM 1754 O HOH A 267 38.219 20.454 10.608 1.00 43.62 O HETATM 1755 H1 HOH A 267 37.465 20.543 9.981 1.00 0.00 H HETATM 1756 H2 HOH A 267 38.227 21.355 10.959 1.00 0.00 H HETATM 1757 O HOH A 268 39.166 13.933 7.960 1.00 6.99 O HETATM 1758 H1 HOH A 268 39.669 13.396 8.595 1.00 0.00 H HETATM 1759 H2 HOH A 268 39.882 14.102 7.333 1.00 0.00 H HETATM 1760 O HOH A 269 40.634 9.427 19.236 1.00 45.26 O HETATM 1761 H1 HOH A 269 39.873 9.611 18.660 1.00 0.00 H HETATM 1762 H2 HOH A 269 40.177 8.937 19.930 1.00 0.00 H HETATM 1763 O HOH A 270 39.433 18.021 9.209 1.00 36.39 O HETATM 1764 H1 HOH A 270 38.596 17.684 8.871 1.00 0.00 H HETATM 1765 H2 HOH A 270 39.183 18.928 9.468 1.00 0.00 H HETATM 1766 O HOH A 271 42.864 20.251 17.970 1.00 12.62 O HETATM 1767 H1 HOH A 271 42.494 20.457 17.094 1.00 0.00 H HETATM 1768 H2 HOH A 271 43.388 19.462 17.795 1.00 0.00 H HETATM 1769 O HOH A 272 9.137 6.448 12.765 1.00 29.17 O HETATM 1770 H1 HOH A 272 9.170 5.718 13.399 1.00 0.00 H HETATM 1771 H2 HOH A 272 9.106 5.985 11.922 1.00 0.00 H HETATM 1772 O HOH A 273 10.019 1.424 16.264 1.00 45.56 O HETATM 1773 H1 HOH A 273 10.630 1.917 16.821 1.00 0.00 H HETATM 1774 H2 HOH A 273 10.426 1.541 15.400 1.00 0.00 H HETATM 1775 O HOH A 274 10.676 5.177 19.875 1.00 10.45 O HETATM 1776 H1 HOH A 274 10.723 4.943 18.935 1.00 0.00 H HETATM 1777 H2 HOH A 274 10.304 6.071 19.824 1.00 0.00 H HETATM 1778 O HOH A 275 15.708 -9.872 12.979 1.00 26.90 O HETATM 1779 H1 HOH A 275 15.125 -9.667 13.732 1.00 0.00 H HETATM 1780 H2 HOH A 275 16.271 -9.083 12.961 1.00 0.00 H HETATM 1781 O HOH A 276 18.975 20.787 8.322 1.00 46.56 O HETATM 1782 H1 HOH A 276 18.516 21.616 8.102 1.00 0.00 H HETATM 1783 H2 HOH A 276 19.800 21.123 8.720 1.00 0.00 H HETATM 1784 O HOH A 277 19.841 1.173 23.902 1.00 15.38 O HETATM 1785 H1 HOH A 277 18.882 1.262 23.998 1.00 0.00 H HETATM 1786 H2 HOH A 277 19.948 0.218 23.979 1.00 0.00 H HETATM 1787 O HOH A 278 23.115 6.990 0.276 1.00 35.35 O HETATM 1788 H1 HOH A 278 23.593 6.291 -0.199 1.00 0.00 H HETATM 1789 H2 HOH A 278 22.687 6.475 0.973 1.00 0.00 H HETATM 1790 O HOH A 279 26.299 16.950 -2.850 1.00 33.67 O HETATM 1791 H1 HOH A 279 26.128 16.467 -3.681 1.00 0.00 H HETATM 1792 H2 HOH A 279 27.231 17.189 -2.961 1.00 0.00 H HETATM 1793 O HOH A 281 28.285 2.948 28.242 1.00 26.67 O HETATM 1794 H1 HOH A 281 28.380 3.445 29.073 1.00 0.00 H HETATM 1795 H2 HOH A 281 27.322 2.951 28.132 1.00 0.00 H HETATM 1796 O HOH A 282 30.272 25.293 -4.085 1.00 32.39 O HETATM 1797 H1 HOH A 282 30.996 25.416 -4.706 1.00 0.00 H HETATM 1798 H2 HOH A 282 30.676 25.649 -3.273 1.00 0.00 H HETATM 1799 O HOH A 283 40.741 15.343 26.729 1.00 32.49 O HETATM 1800 H1 HOH A 283 41.412 15.754 27.311 1.00 0.00 H HETATM 1801 H2 HOH A 283 40.041 16.011 26.694 1.00 0.00 H HETATM 1802 O HOH A 284 10.829 -1.293 21.377 1.00 29.75 O HETATM 1803 H1 HOH A 284 11.557 -1.138 20.750 1.00 0.00 H HETATM 1804 H2 HOH A 284 11.015 -0.623 22.048 1.00 0.00 H HETATM 1805 O HOH A 285 12.517 15.204 6.716 1.00 26.11 O HETATM 1806 H1 HOH A 285 11.871 15.774 6.271 1.00 0.00 H HETATM 1807 H2 HOH A 285 12.496 14.414 6.162 1.00 0.00 H HETATM 1808 O HOH A 286 13.853 0.635 9.325 1.00 39.55 O HETATM 1809 H1 HOH A 286 13.115 1.227 9.508 1.00 0.00 H HETATM 1810 H2 HOH A 286 13.626 -0.145 9.846 1.00 0.00 H HETATM 1811 O HOH A 287 14.851 -5.083 15.872 1.00 36.73 O HETATM 1812 H1 HOH A 287 14.211 -5.751 16.199 1.00 0.00 H HETATM 1813 H2 HOH A 287 15.573 -5.662 15.595 1.00 0.00 H HETATM 1814 O HOH A 288 14.303 14.067 21.484 1.00 86.95 O HETATM 1815 H1 HOH A 288 14.485 14.929 21.063 1.00 0.00 H HETATM 1816 H2 HOH A 288 14.442 14.365 22.398 1.00 0.00 H HETATM 1817 O HOH A 289 23.011 17.006 -3.984 1.00 38.01 O HETATM 1818 H1 HOH A 289 23.861 17.392 -4.226 1.00 0.00 H HETATM 1819 H2 HOH A 289 22.416 17.752 -3.832 1.00 0.00 H HETATM 1820 O HOH A 290 29.223 18.531 -3.660 1.00 31.61 O HETATM 1821 H1 HOH A 290 29.719 19.278 -3.989 1.00 0.00 H HETATM 1822 H2 HOH A 290 29.938 18.105 -3.130 1.00 0.00 H HETATM 1823 O HOH A 291 29.462 -4.678 16.327 1.00 34.37 O HETATM 1824 H1 HOH A 291 28.531 -4.761 16.034 1.00 0.00 H HETATM 1825 H2 HOH A 291 29.470 -5.252 17.099 1.00 0.00 H HETATM 1826 O HOH A 292 31.466 19.356 25.764 1.00 14.56 O HETATM 1827 H1 HOH A 292 31.848 19.661 26.604 1.00 0.00 H HETATM 1828 H2 HOH A 292 31.011 18.549 26.074 1.00 0.00 H HETATM 1829 O HOH A 293 33.542 -2.872 15.911 1.00 37.11 O HETATM 1830 H1 HOH A 293 32.621 -3.086 15.713 1.00 0.00 H HETATM 1831 H2 HOH A 293 33.523 -2.732 16.863 1.00 0.00 H HETATM 1832 O HOH A 294 33.464 27.030 -2.633 1.00 31.88 O HETATM 1833 H1 HOH A 294 34.033 26.994 -1.857 1.00 0.00 H HETATM 1834 H2 HOH A 294 32.656 27.399 -2.292 1.00 0.00 H HETATM 1835 O HOH A 295 38.475 6.952 19.617 1.00 30.68 O HETATM 1836 H1 HOH A 295 38.491 7.440 20.464 1.00 0.00 H HETATM 1837 H2 HOH A 295 38.380 6.047 19.931 1.00 0.00 H HETATM 1838 O HOH A 296 15.697 -1.470 21.817 1.00 27.95 O HETATM 1839 H1 HOH A 296 14.943 -1.058 21.362 1.00 0.00 H HETATM 1840 H2 HOH A 296 15.589 -1.057 22.675 1.00 0.00 H HETATM 1841 O HOH A 297 19.305 -1.894 21.805 1.00 36.99 O HETATM 1842 H1 HOH A 297 18.382 -2.031 22.054 1.00 0.00 H HETATM 1843 H2 HOH A 297 19.247 -1.144 21.210 1.00 0.00 H HETATM 1844 O HOH A 298 20.085 17.766 -3.138 1.00 42.41 O HETATM 1845 H1 HOH A 298 19.776 17.026 -2.601 1.00 0.00 H HETATM 1846 H2 HOH A 298 19.444 18.455 -2.927 1.00 0.00 H HETATM 1847 O HOH A 299 22.255 20.409 23.271 1.00 32.15 O HETATM 1848 H1 HOH A 299 22.341 21.352 23.092 1.00 0.00 H HETATM 1849 H2 HOH A 299 22.644 20.000 22.490 1.00 0.00 H HETATM 1850 O HOH A 300 24.637 3.497 30.682 1.00 33.40 O HETATM 1851 H1 HOH A 300 25.066 3.744 29.862 1.00 0.00 H HETATM 1852 H2 HOH A 300 23.985 2.854 30.401 1.00 0.00 H HETATM 1853 O HOH A 301 31.710 0.820 4.049 1.00 29.55 O HETATM 1854 H1 HOH A 301 31.240 0.525 3.268 1.00 0.00 H HETATM 1855 H2 HOH A 301 30.978 0.920 4.689 1.00 0.00 H HETATM 1856 O HOH A 302 33.222 19.531 -1.264 1.00 27.44 O HETATM 1857 H1 HOH A 302 33.239 19.914 -0.379 1.00 0.00 H HETATM 1858 H2 HOH A 302 33.996 18.958 -1.214 1.00 0.00 H HETATM 1859 O HOH A 303 33.905 7.374 -0.812 1.00 28.53 O HETATM 1860 H1 HOH A 303 33.777 6.885 -1.629 1.00 0.00 H HETATM 1861 H2 HOH A 303 34.564 6.846 -0.333 1.00 0.00 H HETATM 1862 O HOH A 304 35.733 6.824 1.294 1.00 32.12 O HETATM 1863 H1 HOH A 304 36.194 7.577 0.899 1.00 0.00 H HETATM 1864 H2 HOH A 304 36.351 6.565 1.993 1.00 0.00 H HETATM 1865 O HOH A 305 9.639 8.339 20.794 1.00 29.09 O HETATM 1866 H1 HOH A 305 8.687 8.481 20.798 1.00 0.00 H HETATM 1867 H2 HOH A 305 9.799 7.853 21.614 1.00 0.00 H HETATM 1868 O HOH A 306 10.380 5.228 22.558 1.00 46.00 O HETATM 1869 H1 HOH A 306 10.648 5.100 21.627 1.00 0.00 H HETATM 1870 H2 HOH A 306 9.653 4.615 22.643 1.00 0.00 H HETATM 1871 O HOH A 307 11.879 -2.006 24.310 1.00 26.74 O HETATM 1872 H1 HOH A 307 10.928 -1.871 24.319 1.00 0.00 H HETATM 1873 H2 HOH A 307 12.089 -1.914 23.375 1.00 0.00 H HETATM 1874 O HOH A 308 11.943 16.720 11.144 1.00 29.60 O HETATM 1875 H1 HOH A 308 11.719 17.516 11.635 1.00 0.00 H HETATM 1876 H2 HOH A 308 11.839 16.043 11.845 1.00 0.00 H HETATM 1877 O HOH A 309 15.397 10.427 30.897 1.00 29.21 O HETATM 1878 H1 HOH A 309 15.957 10.863 31.549 1.00 0.00 H HETATM 1879 H2 HOH A 309 14.920 9.826 31.506 1.00 0.00 H HETATM 1880 O HOH A 310 16.303 -0.497 6.906 1.00 31.96 O HETATM 1881 H1 HOH A 310 15.652 -0.049 7.463 1.00 0.00 H HETATM 1882 H2 HOH A 310 16.241 -1.404 7.236 1.00 0.00 H HETATM 1883 O HOH A 312 17.089 8.503 27.500 1.00 29.17 O HETATM 1884 H1 HOH A 312 16.686 8.270 26.655 1.00 0.00 H HETATM 1885 H2 HOH A 312 16.376 8.693 28.110 1.00 0.00 H HETATM 1886 O HOH A 314 18.769 16.328 14.271 1.00 22.30 O HETATM 1887 H1 HOH A 314 19.459 16.867 14.711 1.00 0.00 H HETATM 1888 H2 HOH A 314 19.240 15.496 14.123 1.00 0.00 H HETATM 1889 O HOH A 315 20.279 18.299 15.171 1.00 20.05 O HETATM 1890 H1 HOH A 315 20.353 18.297 14.207 1.00 0.00 H HETATM 1891 H2 HOH A 315 19.505 18.857 15.300 1.00 0.00 H HETATM 1892 O HOH A 316 20.356 19.034 19.427 1.00 22.53 O HETATM 1893 H1 HOH A 316 20.967 18.939 20.173 1.00 0.00 H HETATM 1894 H2 HOH A 316 20.154 19.968 19.524 1.00 0.00 H HETATM 1895 O HOH A 317 20.682 3.866 28.041 1.00 29.61 O HETATM 1896 H1 HOH A 317 21.417 4.262 27.557 1.00 0.00 H HETATM 1897 H2 HOH A 317 19.931 4.389 27.765 1.00 0.00 H HETATM 1898 O HOH A 319 27.342 -5.117 6.565 1.00 39.82 O HETATM 1899 H1 HOH A 319 27.747 -5.518 5.789 1.00 0.00 H HETATM 1900 H2 HOH A 319 26.760 -4.454 6.168 1.00 0.00 H HETATM 1901 O HOH A 320 28.004 23.084 -3.653 1.00 33.73 O HETATM 1902 H1 HOH A 320 28.684 23.785 -3.613 1.00 0.00 H HETATM 1903 H2 HOH A 320 27.917 22.981 -4.604 1.00 0.00 H HETATM 1904 O HOH A 321 28.659 18.554 26.824 1.00 27.86 O HETATM 1905 H1 HOH A 321 28.407 17.622 26.896 1.00 0.00 H HETATM 1906 H2 HOH A 321 28.315 18.892 27.666 1.00 0.00 H HETATM 1907 O HOH A 322 29.983 -5.057 13.248 1.00 28.71 O HETATM 1908 H1 HOH A 322 30.156 -5.908 13.655 1.00 0.00 H HETATM 1909 H2 HOH A 322 29.483 -5.259 12.458 1.00 0.00 H HETATM 1910 O HOH A 323 31.534 17.864 -2.537 1.00 36.89 O HETATM 1911 H1 HOH A 323 32.257 17.285 -2.834 1.00 0.00 H HETATM 1912 H2 HOH A 323 32.052 18.536 -2.033 1.00 0.00 H HETATM 1913 O HOH A 325 33.045 7.480 -4.810 1.00 24.49 O HETATM 1914 H1 HOH A 325 32.276 7.941 -4.427 1.00 0.00 H HETATM 1915 H2 HOH A 325 32.672 6.629 -5.057 1.00 0.00 H HETATM 1916 O HOH A 327 35.573 8.451 29.290 1.00 26.60 O HETATM 1917 H1 HOH A 327 36.269 7.839 29.549 1.00 0.00 H HETATM 1918 H2 HOH A 327 34.786 8.069 29.725 1.00 0.00 H HETATM 1919 O HOH A 328 40.463 12.502 26.994 1.00 26.21 O HETATM 1920 H1 HOH A 328 40.419 13.456 26.797 1.00 0.00 H HETATM 1921 H2 HOH A 328 40.827 12.514 27.878 1.00 0.00 H HETATM 1922 O HOH A 329 40.840 24.705 1.699 1.00 34.39 O HETATM 1923 H1 HOH A 329 40.779 24.145 2.495 1.00 0.00 H HETATM 1924 H2 HOH A 329 39.985 25.144 1.741 1.00 0.00 H CONECT 1023 1559 CONECT 1093 1559 CONECT 1446 1559 CONECT 1559 1023 1093 1446 1565 CONECT 1560 1561 1562 1563 1564 CONECT 1561 1560 CONECT 1562 1560 CONECT 1563 1560 CONECT 1564 1560 CONECT 1565 1559 MASTER 274 0 2 6 5 0 5 6 1382 1 10 13 END If you find results from this site helpful for your research, please cite one of our papers:
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