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*** 5MNZ_1 ***elNémo ID: 240918110120860114Job options:ID = 240918110120860114 JOBID = 5MNZ_1 USERID = unknown PRIVAT = 0 NMODES = 5 DQMIN = -100 DQMAX = 100 DQSTEP = 20 DOGRAPHS = on DOPROJMODS = 0 DORMSD = 0 NRBL = 0 CUTOFF = 0 CAONLY = 0 Input data for this run:HEADER 5MNZ_1 HEADER HYDROLASE 13-DEC-16 5MNZ TITLE NEUTRON STRUCTURE OF CATIONIC TRYPSIN IN ITS APO FORM COMPND MOL_ID: 1; COMPND 2 MOLECULE: CATIONIC TRYPSIN; COMPND 3 CHAIN: A; COMPND 4 SYNONYM: BETA-TRYPSIN; COMPND 5 EC: 3.4.21.4 SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; SOURCE 3 ORGANISM_COMMON: BOVINE; SOURCE 4 ORGANISM_TAXID: 9913 KEYWDS HYDROGEN BONDING, PROTONATION, PROTEIN-LIGAND INTERACTION, HYDROLASE EXPDTA NEUTRON DIFFRACTION AUTHOR J.SCHIEBEL,T.E.SCHRADER,A.OSTERMANN,A.HEINE,G.KLEBE REVDAT 4 17-JAN-24 5MNZ 1 REMARK REVDAT 3 14-NOV-18 5MNZ 1 REMARK REVDAT 2 12-SEP-18 5MNZ 1 JRNL REVDAT 1 17-JAN-18 5MNZ 0 JRNL AUTH J.SCHIEBEL,R.GASPARI,T.WULSDORF,K.NGO,C.SOHN,T.E.SCHRADER, JRNL AUTH 2 A.CAVALLI,A.OSTERMANN,A.HEINE,G.KLEBE JRNL TITL INTRIGUING ROLE OF WATER IN PROTEIN-LIGAND BINDING STUDIED JRNL TITL 2 BY NEUTRON CRYSTALLOGRAPHY ON TRYPSIN COMPLEXES. JRNL REF NAT COMMUN V. 9 3559 2018 JRNL REFN ESSN 2041-1723 JRNL PMID 30177695 JRNL DOI 10.1038/S41467-018-05769-2 REMARK 2 REMARK 2 RESOLUTION. 1.45 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : PHENIX (DEV_2429) REMARK 3 AUTHORS : PAUL ADAMS,PAVEL AFONINE,VINCENT CHEN,IAN REMARK 3 : DAVIS,KRESHNA GOPAL,RALF GROSSE-KUNSTLEVE, REMARK 3 : LI-WEI HUNG,ROBERT IMMORMINO,TOM IOERGER, REMARK 3 : AIRLIE MCCOY,ERIK MCKEE,NIGEL MORIARTY, REMARK 3 : REETAL PAI,RANDY READ,JANE RICHARDSON, REMARK 3 : DAVID RICHARDSON,TOD ROMO,JIM SACCHETTINI, REMARK 3 : NICHOLAS SAUTER,JACOB SMITH,LAURENT REMARK 3 : STORONI,TOM TERWILLIGER,PETER ZWART REMARK 3 REMARK 3 REFINEMENT TARGET : NULL REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 1.45 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 21.32 REMARK 3 MIN(FOBS/SIGMA_FOBS) : 1.350 REMARK 3 COMPLETENESS FOR RANGE (%) : 90.2 REMARK 3 NUMBER OF REFLECTIONS : 35510 REMARK 3 REMARK 3 FIT TO DATA USED IN REFINEMENT. REMARK 3 R VALUE (WORKING + TEST SET) : 0.171 REMARK 3 R VALUE (WORKING SET) : 0.169 REMARK 3 FREE R VALUE : 0.201 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 5.020 REMARK 3 FREE R VALUE TEST SET COUNT : 1784 REMARK 3 REMARK 3 FIT TO DATA USED IN REFINEMENT (IN BINS). REMARK 3 BIN RESOLUTION RANGE COMPL. NWORK NFREE RWORK RFREE REMARK 3 1 21.3232 - 3.4037 0.98 3002 147 0.1496 0.1508 REMARK 3 2 3.4037 - 2.7033 0.97 2880 126 0.1575 0.1736 REMARK 3 3 2.7033 - 2.3621 0.97 2816 149 0.1438 0.1677 REMARK 3 4 2.3621 - 2.1464 0.96 2790 145 0.1423 0.1636 REMARK 3 5 2.1464 - 1.9926 0.97 2784 143 0.1433 0.1755 REMARK 3 6 1.9926 - 1.8752 0.96 2734 166 0.1565 0.2020 REMARK 3 7 1.8752 - 1.7814 0.94 2638 158 0.1717 0.2064 REMARK 3 8 1.7814 - 1.7039 0.91 2624 124 0.1799 0.2444 REMARK 3 9 1.7039 - 1.6383 0.89 2504 131 0.1863 0.2572 REMARK 3 10 1.6383 - 1.5818 0.85 2416 129 0.2120 0.2516 REMARK 3 11 1.5818 - 1.5323 0.81 2305 124 0.2314 0.2791 REMARK 3 12 1.5323 - 1.4885 0.78 2188 134 0.2429 0.3067 REMARK 3 13 1.4885 - 1.4494 0.72 2045 108 0.2807 0.3062 REMARK 3 REMARK 3 BULK SOLVENT MODELLING. REMARK 3 METHOD USED : NULL REMARK 3 SOLVENT RADIUS : 1.11 REMARK 3 SHRINKAGE RADIUS : 0.90 REMARK 3 K_SOL : NULL REMARK 3 B_SOL : NULL REMARK 3 REMARK 3 ERROR ESTIMATES. REMARK 3 COORDINATE ERROR (MAXIMUM-LIKELIHOOD BASED) : 0.160 REMARK 3 PHASE ERROR (DEGREES, MAXIMUM-LIKELIHOOD BASED) : 17.580 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : NULL REMARK 3 MEAN B VALUE (OVERALL, A**2) : NULL REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : NULL REMARK 3 B22 (A**2) : NULL REMARK 3 B33 (A**2) : NULL REMARK 3 B12 (A**2) : NULL REMARK 3 B13 (A**2) : NULL REMARK 3 B23 (A**2) : NULL REMARK 3 REMARK 3 TWINNING INFORMATION. REMARK 3 FRACTION: NULL REMARK 3 OPERATOR: NULL REMARK 3 REMARK 3 DEVIATIONS FROM IDEAL VALUES. REMARK 3 RMSD COUNT REMARK 3 BOND : 0.004 3641 REMARK 3 ANGLE : 0.857 6221 REMARK 3 CHIRALITY : 0.082 263 REMARK 3 PLANARITY : 0.005 778 REMARK 3 DIHEDRAL : 14.986 923 REMARK 3 REMARK 3 TLS DETAILS REMARK 3 NUMBER OF TLS GROUPS : NULL REMARK 3 REMARK 3 NCS DETAILS REMARK 3 NUMBER OF NCS GROUPS : NULL REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 5MNZ COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBE ON 14-DEC-16. REMARK 100 THE DEPOSITION ID IS D_1200002714. REMARK 230 REMARK 230 EXPERIMENTAL DETAILS REMARK 230 EXPERIMENT TYPE : NEUTRON DIFFRACTION REMARK 230 DATE OF DATA COLLECTION : 18-MAY-15 REMARK 230 TEMPERATURE (KELVIN) : 295.0 REMARK 230 PH : 7.50 REMARK 230 NUMBER OF CRYSTALS USED : 1 REMARK 230 REMARK 230 NEUTRON SOURCE : NUCLEAR REACTOR REMARK 230 BEAMLINE : BIODIFF REMARK 230 WAVELENGTH OR RANGE (A) : 2.670, 2.670, 2.675 REMARK 230 MONOCHROMATOR : NULL REMARK 230 OPTICS : NULL REMARK 230 REMARK 230 DETECTOR TYPE : IMAGE PLATE REMARK 230 DETECTOR MANUFACTURER : MAATEL BIODIFF REMARK 230 INTENSITY-INTEGRATION SOFTWARE : HKL-2000 REMARK 230 DATA SCALING SOFTWARE : HKL-2000 REMARK 230 REMARK 230 NUMBER OF UNIQUE REFLECTIONS : 35542 REMARK 230 RESOLUTION RANGE HIGH (A) : 1.450 REMARK 230 RESOLUTION RANGE LOW (A) : 50.000 REMARK 230 REJECTION CRITERIA (SIGMA(I)) : NULL REMARK 230 REMARK 230 OVERALL. REMARK 230 COMPLETENESS FOR RANGE (%) : 90.2 REMARK 230 DATA REDUNDANCY : 3.000 REMARK 230 R MERGE (I) : 0.12600 REMARK 230 R SYM (I) : NULL REMARK 230 FOR THE DATA SET : 6.8580 REMARK 230 REMARK 230 IN THE HIGHEST RESOLUTION SHELL. REMARK 230 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.45 REMARK 230 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 1.48 REMARK 230 COMPLETENESS FOR SHELL (%) : 72.8 REMARK 230 DATA REDUNDANCY IN SHELL : 2.70 REMARK 230 R MERGE FOR SHELL (I) : 0.47400 REMARK 230 R SYM FOR SHELL (I) : NULL REMARK 230 FOR SHELL : 2.100 REMARK 230 REMARK 230 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT REMARK 230 SOFTWARE USED : PHASER REMARK 230 STARTING MODEL: 4I8H REMARK 230 REMARK 230 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): NULL REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): NULL REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: 0.2 M AMMONIUM SULFATE, 0.1 M HEPES PH REMARK 280 7.5, 16% (W/V) PEG 8000, VAPOR DIFFUSION, SITTING DROP, REMARK 280 TEMPERATURE 277K 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 27.49300 REMARK 290 SMTRY2 2 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 33.77050 REMARK 290 SMTRY1 3 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 3 0.000000 1.000000 0.000000 29.27200 REMARK 290 SMTRY3 3 0.000000 0.000000 -1.000000 33.77050 REMARK 290 SMTRY1 4 1.000000 0.000000 0.000000 27.49300 REMARK 290 SMTRY2 4 0.000000 -1.000000 0.000000 29.27200 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 470 REMARK 470 MISSING ATOM REMARK 470 THE FOLLOWING RESIDUES HAVE MISSING ATOMS (M=MODEL NUMBER; REMARK 470 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER; REMARK 470 I=INSERTION CODE): REMARK 470 M RES CSSEQI ATOMS REMARK 470 SER A 61 OG REMARK 470 LYS A 109 CG CD CE NZ REMARK 470 SER A 122 OG REMARK 470 THR A 125 CG2 REMARK 470 LYS A 145 CD CE NZ REMARK 470 SER A 146 OG REMARK 470 THR A 149 OG1 CG2 REMARK 470 SER A 166 OG REMARK 470 SER A 167 OG REMARK 470 LYS A 169 CE NZ REMARK 470 SER A 170 OG REMARK 470 GLU A 186 CG CD OE1 OE2 REMARK 470 LYS A 188A CE NZ REMARK 470 GLN A 192 CG CD OE1 NE2 REMARK 470 LYS A 204 CE NZ REMARK 470 LYS A 222 CG CD CE NZ REMARK 470 SER A 236 OG REMARK 470 LYS A 239 CE NZ REMARK 470 GLN A 240 CG CD OE1 NE2 REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: CLOSE CONTACTS IN SAME ASYMMETRIC UNIT REMARK 500 REMARK 500 THE FOLLOWING ATOMS ARE IN CLOSE CONTACT. REMARK 500 REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI DISTANCE REMARK 500 OD1 ASP A 153 D2 DOD A 402 1.59 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: CLOSE CONTACTS REMARK 500 REMARK 500 THE FOLLOWING ATOMS THAT ARE RELATED BY CRYSTALLOGRAPHIC REMARK 500 SYMMETRY ARE IN CLOSE CONTACT. AN ATOM LOCATED WITHIN 0.15 REMARK 500 ANGSTROMS OF A SYMMETRY RELATED ATOM IS ASSUMED TO BE ON A REMARK 500 SPECIAL POSITION AND IS, THEREFORE, LISTED IN REMARK 375 REMARK 500 INSTEAD OF REMARK 500. ATOMS WITH NON-BLANK ALTERNATE REMARK 500 LOCATION INDICATORS ARE NOT INCLUDED IN THE CALCULATIONS. REMARK 500 REMARK 500 DISTANCE CUTOFF: REMARK 500 2.2 ANGSTROMS FOR CONTACTS NOT INVOLVING HYDROGEN ATOMS REMARK 500 1.6 ANGSTROMS FOR CONTACTS INVOLVING HYDROGEN ATOMS REMARK 500 REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI SSYMOP DISTANCE REMARK 500 HH TYR A 59 OD1 ASP A 153 4545 1.54 REMARK 500 DH TYR A 59 OD1 ASP A 153 4545 1.54 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 ASP A 71 -75.32 -120.53 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 CA A 301 CA REMARK 620 N RES CSSEQI ATOM REMARK 620 1 GLU A 70 OE1 REMARK 620 2 ASN A 72 O 89.9 REMARK 620 3 VAL A 75 O 163.0 81.7 REMARK 620 4 GLU A 80 OE2 101.3 162.3 90.7 REMARK 620 5 DOD A 414 O 83.6 90.8 111.1 77.0 REMARK 620 6 DOD A 464 O 81.4 102.4 86.0 92.9 160.0 REMARK 620 N 1 2 3 4 5 REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: AC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: binding site for residue CA A 301 DBREF 5MNZ A 16 245 UNP P00760 TRY1_BOVIN 24 246 SEQRES 1 A 223 ILE VAL GLY GLY TYR THR CYS GLY ALA ASN THR VAL PRO SEQRES 2 A 223 TYR GLN VAL SER LEU ASN SER GLY TYR HIS PHE CYS GLY SEQRES 3 A 223 GLY SER LEU ILE ASN SER GLN TRP VAL VAL SER ALA ALA SEQRES 4 A 223 HIS CYS TYR LYS SER GLY ILE GLN VAL ARG LEU GLY GLU SEQRES 5 A 223 ASP ASN ILE ASN VAL VAL GLU GLY ASN GLU GLN PHE ILE SEQRES 6 A 223 SER ALA SER LYS SER ILE VAL HIS PRO SER TYR ASN SER SEQRES 7 A 223 ASN THR LEU ASN ASN ASP ILE MET LEU ILE LYS LEU LYS SEQRES 8 A 223 SER ALA ALA SER LEU ASN SER ARG VAL ALA SER ILE SER SEQRES 9 A 223 LEU PRO THR SER CYS ALA SER ALA GLY THR GLN CYS LEU SEQRES 10 A 223 ILE SER GLY TRP GLY ASN THR LYS SER SER GLY THR SER SEQRES 11 A 223 TYR PRO ASP VAL LEU LYS CYS LEU LYS ALA PRO ILE LEU SEQRES 12 A 223 SER ASP SER SER CYS LYS SER ALA TYR PRO GLY GLN ILE SEQRES 13 A 223 THR SER ASN MET PHE CYS ALA GLY TYR LEU GLU GLY GLY SEQRES 14 A 223 LYS ASP SER CYS GLN GLY ASP SER GLY GLY PRO VAL VAL SEQRES 15 A 223 CYS SER GLY LYS LEU GLN GLY ILE VAL SER TRP GLY SER SEQRES 16 A 223 GLY CYS ALA GLN LYS ASN LYS PRO GLY VAL TYR THR LYS SEQRES 17 A 223 VAL CYS ASN TYR VAL SER TRP ILE LYS GLN THR ILE ALA SEQRES 18 A 223 SER ASN HET CA A 301 1 HETNAM CA CALCIUM ION FORMUL 2 CA CA 2+ FORMUL 3 DOD *136(D2 O) HELIX 1 AA1 ALA A 55 TYR A 59 5 5 HELIX 2 AA2 SER A 164 TYR A 172 1 9 HELIX 3 AA3 TYR A 234 SER A 244 1 11 SHEET 1 AA1 7 TYR A 20 THR A 21 0 SHEET 2 AA1 7 LYS A 156 PRO A 161 -1 O CYS A 157 N TYR A 20 SHEET 3 AA1 7 GLN A 135 GLY A 140 -1 N ILE A 138 O LEU A 158 SHEET 4 AA1 7 PRO A 198 CYS A 201 -1 O VAL A 200 N LEU A 137 SHEET 5 AA1 7 LYS A 204 TRP A 215 -1 O LYS A 204 N CYS A 201 SHEET 6 AA1 7 GLY A 226 LYS A 230 -1 O VAL A 227 N TRP A 215 SHEET 7 AA1 7 MET A 180 ALA A 183 -1 N PHE A 181 O TYR A 228 SHEET 1 AA2 7 GLN A 30 ASN A 34 0 SHEET 2 AA2 7 HIS A 40 ASN A 48 -1 O CYS A 42 N LEU A 33 SHEET 3 AA2 7 TRP A 51 SER A 54 -1 O VAL A 53 N SER A 45 SHEET 4 AA2 7 MET A 104 LEU A 108 -1 O ILE A 106 N VAL A 52 SHEET 5 AA2 7 GLN A 81 VAL A 90 -1 N ILE A 89 O LEU A 105 SHEET 6 AA2 7 GLN A 64 LEU A 67 -1 N LEU A 67 O GLN A 81 SHEET 7 AA2 7 GLN A 30 ASN A 34 -1 N SER A 32 O ARG A 66 SSBOND 1 CYS A 22 CYS A 157 1555 1555 2.03 SSBOND 2 CYS A 42 CYS A 58 1555 1555 2.03 SSBOND 3 CYS A 128 CYS A 232 1555 1555 2.03 SSBOND 4 CYS A 136 CYS A 201 1555 1555 2.03 SSBOND 5 CYS A 168 CYS A 182 1555 1555 2.03 SSBOND 6 CYS A 191 CYS A 220 1555 1555 2.03 LINK OE1 GLU A 70 CA CA A 301 1555 1555 2.30 LINK O ASN A 72 CA CA A 301 1555 1555 2.34 LINK O VAL A 75 CA CA A 301 1555 1555 2.19 LINK OE2 GLU A 80 CA CA A 301 1555 1555 2.31 LINK CA CA A 301 O DOD A 414 1555 1555 2.35 LINK CA CA A 301 O DOD A 464 1555 1555 2.34 SITE 1 AC1 6 GLU A 70 ASN A 72 VAL A 75 GLU A 80 SITE 2 AC1 6 DOD A 414 DOD A 464 CRYST1 54.986 58.544 67.541 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 0.018186 0.000000 0.000000 0.00000 SCALE2 0.000000 0.017081 0.000000 0.00000 SCALE3 0.000000 0.000000 0.014806 0.00000 ATOM 1 N ILE A 16 -8.125 -19.648 -13.546 1.00 8.12 N ATOM 2 CA ILE A 16 -8.117 -20.569 -14.714 1.00 8.74 C ATOM 3 C ILE A 16 -9.381 -20.288 -15.500 1.00 9.81 C ATOM 4 O ILE A 16 -10.476 -20.346 -14.942 1.00 10.47 O ATOM 5 CB ILE A 16 -8.087 -22.040 -14.276 1.00 9.45 C ATOM 6 CG1 ILE A 16 -6.860 -22.355 -13.401 1.00 11.79 C ATOM 7 CG2 ILE A 16 -8.175 -22.955 -15.485 1.00 10.39 C ATOM 8 CD1 ILE A 16 -5.535 -22.417 -14.158 1.00 12.04 C ATOM 9 H1 AILE A 16 -7.135 -19.438 -13.307 0.02 11.29 H ATOM 10 D1 BILE A 16 -7.135 -19.438 -13.307 0.98 11.29 D ATOM 11 H2 AILE A 16 -8.632 -18.781 -13.790 0.05 9.71 H ATOM 12 D2 BILE A 16 -8.632 -18.781 -13.790 0.95 9.71 D ATOM 13 H3 AILE A 16 -8.613 -20.090 -12.741 0.02 9.45 H ATOM 14 D3 BILE A 16 -8.613 -20.090 -12.741 0.98 9.45 D ATOM 15 HA ILE A 16 -7.250 -20.357 -15.347 1.00 9.81 H ATOM 16 HB ILE A 16 -8.980 -22.213 -13.683 1.00 10.72 H ATOM 17 HG12 ILE A 16 -6.768 -21.582 -12.641 1.00 12.62 H ATOM 18 HG13 ILE A 16 -7.019 -23.323 -12.921 1.00 10.03 H ATOM 19 HG21 ILE A 16 -7.465 -22.620 -16.238 1.00 15.67 H ATOM 20 HG22 ILE A 16 -7.941 -23.977 -15.188 1.00 11.27 H ATOM 21 HG23 ILE A 16 -9.188 -22.924 -15.884 1.00 12.99 H ATOM 22 HD11 ILE A 16 -4.736 -22.673 -13.463 1.00 12.37 H ATOM 23 HD12 ILE A 16 -5.586 -23.191 -14.923 1.00 13.35 H ATOM 24 HD13 ILE A 16 -5.334 -21.451 -14.619 1.00 12.54 H ATOM 25 N VAL A 17 -9.228 -19.990 -16.782 1.00 8.91 N ATOM 26 CA VAL A 17 -10.351 -19.787 -17.693 1.00 9.91 C ATOM 27 C VAL A 17 -10.503 -21.043 -18.534 1.00 9.36 C ATOM 28 O VAL A 17 -9.513 -21.568 -19.058 1.00 9.94 O ATOM 29 CB VAL A 17 -10.115 -18.568 -18.598 1.00 11.78 C ATOM 30 CG1 VAL A 17 -11.295 -18.364 -19.555 1.00 14.22 C ATOM 31 CG2 VAL A 17 -9.857 -17.326 -17.772 1.00 13.88 C ATOM 32 H AVAL A 17 -8.326 -19.901 -17.244 0.07 11.19 H ATOM 33 D BVAL A 17 -8.326 -19.901 -17.244 0.93 11.19 D ATOM 34 HA VAL A 17 -11.266 -19.616 -17.127 1.00 10.68 H ATOM 35 HB VAL A 17 -9.230 -18.760 -19.205 1.00 13.16 H ATOM 36 HG11 VAL A 17 -11.177 -17.410 -20.065 1.00 16.33 H ATOM 37 HG12 VAL A 17 -11.304 -19.176 -20.280 1.00 17.14 H ATOM 38 HG13 VAL A 17 -12.235 -18.362 -19.005 1.00 17.91 H ATOM 39 HG21 VAL A 17 -10.026 -16.434 -18.371 1.00 18.65 H ATOM 40 HG22 VAL A 17 -10.540 -17.329 -16.926 1.00 14.82 H ATOM 41 HG23 VAL A 17 -8.831 -17.337 -17.412 1.00 15.52 H ATOM 42 N GLY A 18 -11.740 -21.519 -18.670 1.00 10.25 N ATOM 43 CA GLY A 18 -12.024 -22.649 -19.532 1.00 11.89 C ATOM 44 C GLY A 18 -11.541 -23.981 -19.015 1.00 11.31 C ATOM 45 O GLY A 18 -11.369 -24.913 -19.803 1.00 17.52 O ATOM 46 H AGLY A 18 -12.555 -21.135 -18.198 0.04 13.54 H ATOM 47 D BGLY A 18 -12.555 -21.135 -18.198 0.96 13.54 D ATOM 48 HA2 GLY A 18 -13.100 -22.721 -19.697 1.00 16.67 H ATOM 49 HA3 GLY A 18 -11.558 -22.475 -20.500 1.00 19.27 H ATOM 50 N GLY A 19 -11.322 -24.098 -17.711 1.00 12.42 N ATOM 51 CA GLY A 19 -10.875 -25.330 -17.103 1.00 13.53 C ATOM 52 C GLY A 19 -12.009 -26.093 -16.453 1.00 10.64 C ATOM 53 O GLY A 19 -13.194 -25.861 -16.726 1.00 15.05 O ATOM 54 H AGLY A 19 -11.489 -23.340 -17.045 0.07 10.35 H ATOM 55 D BGLY A 19 -11.489 -23.340 -17.045 0.93 10.35 D ATOM 56 HA2 GLY A 19 -10.426 -25.972 -17.859 1.00 12.36 H ATOM 57 HA3 GLY A 19 -10.114 -25.122 -16.349 1.00 13.70 H ATOM 58 N TYR A 20 -11.637 -27.005 -15.562 1.00 11.24 N ATOM 59 CA TYR A 20 -12.585 -27.852 -14.856 1.00 12.26 C ATOM 60 C TYR A 20 -12.247 -27.834 -13.374 1.00 10.99 C ATOM 61 O TYR A 20 -11.154 -27.422 -12.972 1.00 9.39 O ATOM 62 CB TYR A 20 -12.578 -29.286 -15.424 1.00 12.66 C ATOM 63 CG TYR A 20 -11.247 -29.999 -15.308 1.00 11.70 C ATOM 64 CD1 TYR A 20 -10.230 -29.751 -16.219 1.00 8.45 C ATOM 65 CD2 TYR A 20 -11.014 -30.927 -14.302 1.00 9.41 C ATOM 66 CE1 TYR A 20 -9.011 -30.392 -16.133 1.00 8.68 C ATOM 67 CE2 TYR A 20 -9.787 -31.575 -14.207 1.00 9.89 C ATOM 68 CZ TYR A 20 -8.793 -31.298 -15.127 1.00 12.16 C ATOM 69 OH TYR A 20 -7.565 -31.933 -15.058 1.00 12.18 O ATOM 70 H ATYR A 20 -10.666 -27.156 -15.284 0.26 11.99 H ATOM 71 D BTYR A 20 -10.666 -27.156 -15.284 0.74 11.99 D ATOM 72 HA TYR A 20 -13.589 -27.449 -14.969 1.00 14.13 H ATOM 73 HB2 TYR A 20 -13.340 -29.891 -14.928 1.00 13.44 H ATOM 74 HB3 TYR A 20 -12.816 -29.215 -16.487 1.00 17.95 H ATOM 75 HD1 TYR A 20 -10.392 -29.036 -17.011 1.00 13.51 H ATOM 76 HD2 TYR A 20 -11.787 -31.138 -13.573 1.00 14.86 H ATOM 77 HE1 TYR A 20 -8.230 -30.182 -16.854 1.00 10.94 H ATOM 78 HE2 TYR A 20 -9.613 -32.286 -13.415 1.00 13.90 H ATOM 79 HH ATYR A 20 -7.576 -32.663 -14.406 0.11 14.17 H ATOM 80 DH BTYR A 20 -7.576 -32.663 -14.406 0.89 14.17 D ATOM 81 N THR A 21 -13.225 -28.223 -12.560 1.00 11.97 N ATOM 82 CA THR A 21 -13.005 -28.372 -11.124 1.00 10.74 C ATOM 83 C THR A 21 -12.128 -29.596 -10.870 1.00 9.52 C ATOM 84 O THR A 21 -12.511 -30.722 -11.204 1.00 12.23 O ATOM 85 CB THR A 21 -14.352 -28.526 -10.423 1.00 11.20 C ATOM 86 OG1 THR A 21 -15.123 -27.328 -10.593 1.00 15.84 O ATOM 87 CG2 THR A 21 -14.171 -28.815 -8.941 1.00 17.40 C ATOM 88 H ATHR A 21 -14.173 -28.438 -12.867 0.16 11.53 H ATOM 89 D BTHR A 21 -14.173 -28.438 -12.867 0.84 11.53 D ATOM 90 HA THR A 21 -12.494 -27.491 -10.733 1.00 12.20 H ATOM 91 HB THR A 21 -14.895 -29.359 -10.873 1.00 13.93 H ATOM 92 HG1ATHR A 21 -15.999 -27.569 -10.951 0.24 15.75 H ATOM 93 DG1BTHR A 21 -15.999 -27.569 -10.951 0.76 15.75 D ATOM 94 HG21 THR A 21 -13.429 -28.150 -8.503 1.00 13.25 H ATOM 95 HG22 THR A 21 -15.123 -28.680 -8.426 1.00 16.40 H ATOM 96 HG23 THR A 21 -13.838 -29.841 -8.804 1.00 21.42 H ATOM 97 N CYS A 22 -10.952 -29.377 -10.272 1.00 9.67 N ATOM 98 CA CYS A 22 -9.989 -30.464 -10.082 1.00 9.03 C ATOM 99 C CYS A 22 -10.590 -31.599 -9.261 1.00 10.31 C ATOM 100 O CYS A 22 -10.418 -32.780 -9.586 1.00 9.75 O ATOM 101 CB CYS A 22 -8.748 -29.949 -9.354 1.00 9.27 C ATOM 102 SG CYS A 22 -7.924 -28.529 -10.080 1.00 10.13 S ATOM 103 H ACYS A 22 -10.644 -28.469 -9.922 0.06 11.43 H ATOM 104 D BCYS A 22 -10.644 -28.469 -9.922 0.94 11.43 D ATOM 105 HA CYS A 22 -9.678 -30.856 -11.053 1.00 12.21 H ATOM 106 HB2 CYS A 22 -9.053 -29.671 -8.344 1.00 12.62 H ATOM 107 HB3 CYS A 22 -8.013 -30.752 -9.297 1.00 11.15 H ATOM 108 N GLY A 23 -11.249 -31.259 -8.168 1.00 11.18 N ATOM 109 CA GLY A 23 -11.671 -32.223 -7.165 1.00 9.73 C ATOM 110 C GLY A 23 -10.779 -32.052 -5.948 1.00 10.30 C ATOM 111 O GLY A 23 -9.570 -31.823 -6.067 1.00 11.41 O ATOM 112 H AGLY A 23 -11.491 -30.295 -7.926 0.11 10.95 H ATOM 113 D BGLY A 23 -11.491 -30.295 -7.926 0.89 10.95 D ATOM 114 HA2 GLY A 23 -12.709 -32.055 -6.874 1.00 17.87 H ATOM 115 HA3 GLY A 23 -11.586 -33.242 -7.540 1.00 14.61 H ATOM 116 N ALA A 24 -11.378 -32.152 -4.765 1.00 12.50 N ATOM 117 CA ALA A 24 -10.658 -31.845 -3.538 1.00 13.26 C ATOM 118 C ALA A 24 -9.413 -32.710 -3.381 1.00 11.58 C ATOM 119 O ALA A 24 -9.476 -33.942 -3.428 1.00 12.51 O ATOM 120 CB ALA A 24 -11.577 -32.031 -2.331 1.00 16.86 C ATOM 121 H AALA A 24 -12.352 -32.412 -4.641 0.00 16.31 H ATOM 122 D BALA A 24 -12.352 -32.412 -4.641 1.00 16.31 D ATOM 123 HA ALA A 24 -10.325 -30.809 -3.573 1.00 12.55 H ATOM 124 HB1 ALA A 24 -12.001 -33.034 -2.338 1.00 14.19 H ATOM 125 HB2 ALA A 24 -11.002 -31.882 -1.417 1.00 16.70 H ATOM 126 HB3 ALA A 24 -12.377 -31.298 -2.377 1.00 15.15 H ATOM 127 N ASN A 25 -8.278 -32.039 -3.185 1.00 10.11 N ATOM 128 CA ASN A 25 -7.004 -32.657 -2.831 1.00 11.86 C ATOM 129 C ASN A 25 -6.483 -33.585 -3.924 1.00 12.25 C ATOM 130 O ASN A 25 -5.674 -34.472 -3.651 1.00 18.29 O ATOM 131 CB ASN A 25 -7.054 -33.372 -1.475 1.00 13.46 C ATOM 132 CG ASN A 25 -7.617 -32.493 -0.365 1.00 15.21 C ATOM 133 OD1 ASN A 25 -8.647 -32.807 0.229 1.00 19.17 O ATOM 134 ND2 ASN A 25 -6.953 -31.374 -0.096 1.00 16.03 N ATOM 135 H AASN A 25 -8.223 -31.024 -3.290 0.00 12.31 H ATOM 136 D BASN A 25 -8.223 -31.024 -3.290 1.00 12.31 D ATOM 137 HA ASN A 25 -6.276 -31.855 -2.723 1.00 11.21 H ATOM 138 HB2 ASN A 25 -7.681 -34.255 -1.571 1.00 15.99 H ATOM 139 HB3 ASN A 25 -6.050 -33.682 -1.194 1.00 18.01 H ATOM 140 HD21AASN A 25 -7.357 -30.707 0.562 0.16 12.35 H ATOM 141 DD21BASN A 25 -7.357 -30.707 0.562 0.84 12.35 D ATOM 142 HD22AASN A 25 -6.062 -31.170 -0.549 0.04 14.03 H ATOM 143 DD22BASN A 25 -6.062 -31.170 -0.549 0.96 14.03 D ATOM 144 N THR A 26 -6.929 -33.387 -5.166 1.00 11.74 N ATOM 145 CA THR A 26 -6.369 -34.136 -6.293 1.00 9.54 C ATOM 146 C THR A 26 -5.090 -33.527 -6.843 1.00 9.54 C ATOM 147 O THR A 26 -4.434 -34.152 -7.683 1.00 12.79 O ATOM 148 CB THR A 26 -7.386 -34.271 -7.428 1.00 9.88 C ATOM 149 OG1 THR A 26 -7.758 -32.975 -7.908 1.00 12.53 O ATOM 150 CG2 THR A 26 -8.632 -34.992 -6.936 1.00 12.79 C ATOM 151 H ATHR A 26 -7.676 -32.742 -5.403 0.00 11.33 H ATOM 152 D BTHR A 26 -7.676 -32.742 -5.403 1.00 11.33 D ATOM 153 HA THR A 26 -6.126 -35.144 -5.965 1.00 15.31 H ATOM 154 HB THR A 26 -6.937 -34.846 -8.241 1.00 8.88 H ATOM 155 HG1ATHR A 26 -8.401 -32.574 -7.286 0.15 13.22 H ATOM 156 DG1BTHR A 26 -8.401 -32.574 -7.286 0.85 13.22 D ATOM 157 HG21 THR A 26 -9.255 -35.279 -7.781 1.00 17.92 H ATOM 158 HG22 THR A 26 -8.350 -35.898 -6.405 1.00 15.25 H ATOM 159 HG23 THR A 26 -9.210 -34.348 -6.269 1.00 16.27 H ATOM 160 N VAL A 27 -4.719 -32.338 -6.383 1.00 9.25 N ATOM 161 CA VAL A 27 -3.475 -31.696 -6.790 1.00 8.76 C ATOM 162 C VAL A 27 -2.710 -31.429 -5.501 1.00 9.46 C ATOM 163 O VAL A 27 -2.671 -30.285 -5.028 1.00 10.43 O ATOM 164 CB VAL A 27 -3.750 -30.390 -7.544 1.00 12.12 C ATOM 165 CG1 VAL A 27 -2.450 -29.803 -8.076 1.00 11.53 C ATOM 166 CG2 VAL A 27 -4.747 -30.616 -8.678 1.00 11.05 C ATOM 167 H AVAL A 27 -5.267 -31.817 -5.699 0.12 8.89 H ATOM 168 D BVAL A 27 -5.267 -31.817 -5.699 0.88 8.89 D ATOM 169 HA VAL A 27 -2.901 -32.376 -7.424 1.00 11.89 H ATOM 170 HB VAL A 27 -4.181 -29.654 -6.866 1.00 11.20 H ATOM 171 HG11 VAL A 27 -2.669 -28.830 -8.507 1.00 10.29 H ATOM 172 HG12 VAL A 27 -1.728 -29.674 -7.269 1.00 10.97 H ATOM 173 HG13 VAL A 27 -2.050 -30.465 -8.842 1.00 12.84 H ATOM 174 HG21 VAL A 27 -5.077 -29.649 -9.052 1.00 13.52 H ATOM 175 HG22 VAL A 27 -4.250 -31.166 -9.474 1.00 16.74 H ATOM 176 HG23 VAL A 27 -5.608 -31.183 -8.328 1.00 15.62 H ATOM 177 N PRO A 28 -2.094 -32.450 -4.899 1.00 10.33 N ATOM 178 CA PRO A 28 -1.697 -32.357 -3.481 1.00 12.00 C ATOM 179 C PRO A 28 -0.499 -31.455 -3.216 1.00 8.84 C ATOM 180 O PRO A 28 -0.213 -31.162 -2.047 1.00 9.44 O ATOM 181 CB PRO A 28 -1.381 -33.816 -3.128 1.00 10.59 C ATOM 182 CG PRO A 28 -0.970 -34.435 -4.422 1.00 12.31 C ATOM 183 CD PRO A 28 -1.873 -33.803 -5.437 1.00 9.87 C ATOM 184 HA PRO A 28 -2.537 -32.016 -2.872 1.00 12.88 H ATOM 185 HB2 PRO A 28 -0.580 -33.879 -2.398 1.00 15.06 H ATOM 186 HB3 PRO A 28 -2.280 -34.304 -2.757 1.00 13.71 H ATOM 187 HG2 PRO A 28 0.071 -34.187 -4.630 1.00 15.43 H ATOM 188 HG3 PRO A 28 -1.106 -35.515 -4.380 1.00 13.02 H ATOM 189 HD2 PRO A 28 -1.370 -33.758 -6.398 1.00 13.77 H ATOM 190 HD3 PRO A 28 -2.809 -34.355 -5.508 1.00 12.20 H ATOM 191 N TYR A 29 0.205 -31.030 -4.253 1.00 7.79 N ATOM 192 CA TYR A 29 1.351 -30.142 -4.136 1.00 6.66 C ATOM 193 C TYR A 29 0.961 -28.672 -4.283 1.00 8.66 C ATOM 194 O TYR A 29 1.819 -27.801 -4.124 1.00 10.28 O ATOM 195 CB TYR A 29 2.423 -30.520 -5.186 1.00 7.58 C ATOM 196 CG TYR A 29 1.813 -30.667 -6.562 1.00 10.62 C ATOM 197 CD1 TYR A 29 1.539 -29.547 -7.341 1.00 6.84 C ATOM 198 CD2 TYR A 29 1.454 -31.922 -7.060 1.00 8.52 C ATOM 199 CE1 TYR A 29 0.938 -29.667 -8.580 1.00 8.38 C ATOM 200 CE2 TYR A 29 0.861 -32.057 -8.307 1.00 7.75 C ATOM 201 CZ TYR A 29 0.603 -30.928 -9.062 1.00 10.86 C ATOM 202 OH TYR A 29 0.006 -31.063 -10.292 1.00 10.14 O ATOM 203 H ATYR A 29 -0.026 -31.292 -5.207 1.00 10.16 H ATOM 204 D BTYR A 29 -0.026 -31.292 -5.207 0.00 10.16 D ATOM 205 HA TYR A 29 1.777 -30.264 -3.141 1.00 7.61 H ATOM 206 HB2 TYR A 29 3.178 -29.731 -5.223 1.00 9.60 H ATOM 207 HB3 TYR A 29 2.884 -31.470 -4.906 1.00 12.97 H ATOM 208 HD1 TYR A 29 1.794 -28.561 -6.970 1.00 10.22 H ATOM 209 HD2 TYR A 29 1.650 -32.812 -6.477 1.00 11.75 H ATOM 210 HE1 TYR A 29 0.742 -28.780 -9.169 1.00 9.50 H ATOM 211 HE2 TYR A 29 0.596 -33.036 -8.684 1.00 11.68 H ATOM 212 HH ATYR A 29 -0.225 -30.192 -10.677 0.00 11.25 H ATOM 213 DH BTYR A 29 -0.225 -30.192 -10.677 1.00 11.25 D ATOM 214 N GLN A 30 -0.309 -28.380 -4.569 1.00 8.79 N ATOM 215 CA GLN A 30 -0.757 -27.007 -4.777 1.00 9.81 C ATOM 216 C GLN A 30 -0.861 -26.304 -3.435 1.00 8.70 C ATOM 217 O GLN A 30 -1.422 -26.847 -2.478 1.00 7.68 O ATOM 218 CB GLN A 30 -2.122 -26.991 -5.478 1.00 7.95 C ATOM 219 CG GLN A 30 -2.788 -25.614 -5.607 1.00 8.62 C ATOM 220 CD GLN A 30 -2.285 -24.811 -6.805 1.00 8.35 C ATOM 221 OE1 GLN A 30 -2.211 -25.314 -7.922 1.00 10.46 O ATOM 222 NE2 GLN A 30 -1.954 -23.547 -6.569 1.00 10.60 N ATOM 223 H AGLN A 30 -1.054 -29.067 -4.650 0.12 7.84 H ATOM 224 D BGLN A 30 -1.054 -29.067 -4.650 0.88 7.84 D ATOM 225 HA GLN A 30 -0.044 -26.463 -5.396 1.00 11.30 H ATOM 226 HB2 GLN A 30 -1.989 -27.376 -6.488 1.00 11.39 H ATOM 227 HB3 GLN A 30 -2.807 -27.656 -4.954 1.00 12.89 H ATOM 228 HG2 GLN A 30 -3.866 -25.743 -5.708 1.00 8.31 H ATOM 229 HG3 GLN A 30 -2.580 -25.031 -4.713 1.00 8.89 H ATOM 230 N AVAL A 31 -0.287 -25.110 -3.335 0.52 7.37 N ATOM 231 N BVAL A 31 -0.344 -25.076 -3.407 0.48 7.41 N ATOM 232 CA AVAL A 31 -0.465 -24.314 -2.132 0.52 9.37 C ATOM 233 CA BVAL A 31 -0.290 -24.200 -2.248 0.48 9.25 C ATOM 234 C AVAL A 31 -1.067 -22.965 -2.494 0.52 7.77 C ATOM 235 C BVAL A 31 -1.127 -22.960 -2.544 0.48 7.68 C ATOM 236 O AVAL A 31 -0.944 -22.465 -3.614 0.52 8.55 O ATOM 237 O BVAL A 31 -1.228 -22.520 -3.693 0.48 9.08 O ATOM 238 CB AVAL A 31 0.812 -24.144 -1.277 0.52 9.76 C ATOM 239 CB BVAL A 31 1.185 -23.794 -2.024 0.48 12.44 C ATOM 240 CG1AVAL A 31 1.437 -25.494 -0.992 0.52 12.75 C ATOM 241 CG1BVAL A 31 1.308 -22.654 -1.046 0.48 10.31 C ATOM 242 CG2AVAL A 31 1.820 -23.192 -1.939 0.52 9.52 C ATOM 243 CG2BVAL A 31 2.019 -24.983 -1.573 0.48 10.60 C ATOM 244 H AVAL A 31 0.301 -24.679 -4.049 0.52 9.21 H ATOM 245 H BVAL A 31 0.079 -24.646 -4.231 0.48 9.46 H ATOM 246 HA AVAL A 31 -1.188 -24.819 -1.493 0.52 9.01 H ATOM 247 HA BVAL A 31 -0.673 -24.717 -1.368 0.48 9.43 H ATOM 248 HB AVAL A 31 0.519 -23.709 -0.319 0.52 9.47 H ATOM 249 HB BVAL A 31 1.598 -23.438 -2.967 0.48 8.96 H ATOM 250 HG11AVAL A 31 2.313 -25.349 -0.363 0.52 12.59 H ATOM 251 HG11BVAL A 31 0.851 -22.941 -0.099 0.48 10.58 H ATOM 252 HG12AVAL A 31 0.721 -26.134 -0.476 0.52 13.06 H ATOM 253 HG12BVAL A 31 2.370 -22.450 -0.906 0.48 11.48 H ATOM 254 HG13AVAL A 31 1.733 -25.956 -1.933 0.52 11.00 H ATOM 255 HG13BVAL A 31 0.824 -21.765 -1.449 0.48 11.35 H ATOM 256 HG21AVAL A 31 1.308 -22.374 -2.443 0.52 10.57 H ATOM 257 HG21BVAL A 31 2.673 -25.289 -2.390 0.48 12.60 H ATOM 258 HG22AVAL A 31 2.485 -22.793 -1.174 0.52 10.64 H ATOM 259 HG22BVAL A 31 2.611 -24.674 -0.713 0.48 13.01 H ATOM 260 HG23AVAL A 31 2.406 -23.752 -2.664 0.52 10.27 H ATOM 261 HG23BVAL A 31 1.372 -25.811 -1.291 0.48 10.98 H ATOM 262 N SER A 32 -1.701 -22.376 -1.494 1.00 6.31 N ATOM 263 CA SER A 32 -2.243 -21.029 -1.555 1.00 8.22 C ATOM 264 C SER A 32 -1.367 -20.152 -0.672 1.00 8.30 C ATOM 265 O SER A 32 -1.088 -20.512 0.476 1.00 9.35 O ATOM 266 CB SER A 32 -3.685 -21.026 -1.047 1.00 8.54 C ATOM 267 OG SER A 32 -4.118 -19.717 -0.752 1.00 10.16 O ATOM 268 H ASER A 32 -1.827 -22.832 -0.589 0.92 8.66 H ATOM 269 D BSER A 32 -1.827 -22.832 -0.589 0.08 8.66 D ATOM 270 HA SER A 32 -2.227 -20.651 -2.578 1.00 8.93 H ATOM 271 HB2 SER A 32 -4.327 -21.493 -1.797 1.00 10.15 H ATOM 272 HB3 SER A 32 -3.730 -21.606 -0.128 1.00 9.71 H ATOM 273 HG ASER A 32 -4.294 -19.255 -1.588 0.00 7.99 H ATOM 274 DG BSER A 32 -4.294 -19.255 -1.588 1.00 7.99 D ATOM 275 N LEU A 33 -0.912 -19.025 -1.207 1.00 7.11 N ATOM 276 CA LEU A 33 -0.218 -18.036 -0.398 1.00 8.16 C ATOM 277 C LEU A 33 -1.243 -17.027 0.107 1.00 8.27 C ATOM 278 O LEU A 33 -2.027 -16.483 -0.678 1.00 8.41 O ATOM 279 CB LEU A 33 0.873 -17.342 -1.211 1.00 10.13 C ATOM 280 CG LEU A 33 1.907 -18.284 -1.826 1.00 10.21 C ATOM 281 CD1 LEU A 33 2.979 -17.449 -2.474 1.00 9.98 C ATOM 282 CD2 LEU A 33 2.525 -19.240 -0.781 1.00 12.01 C ATOM 283 H ALEU A 33 -1.029 -18.756 -2.187 1.00 6.94 H ATOM 284 D BLEU A 33 -1.029 -18.756 -2.187 0.00 6.94 D ATOM 285 HA LEU A 33 0.233 -18.523 0.464 1.00 7.49 H ATOM 286 HB2 LEU A 33 0.406 -16.798 -2.031 1.00 8.83 H ATOM 287 HB3 LEU A 33 1.398 -16.645 -0.559 1.00 8.49 H ATOM 288 HG LEU A 33 1.416 -18.885 -2.597 1.00 9.23 H ATOM 289 HD11 LEU A 33 2.497 -16.686 -3.086 1.00 12.13 H ATOM 290 HD12 LEU A 33 3.587 -16.990 -1.694 1.00 13.61 H ATOM 291 HD13 LEU A 33 3.604 -18.085 -3.095 1.00 13.18 H ATOM 292 HD21 LEU A 33 3.312 -19.827 -1.253 1.00 10.19 H ATOM 293 HD22 LEU A 33 2.966 -18.658 0.028 1.00 15.28 H ATOM 294 HD23 LEU A 33 1.767 -19.915 -0.379 1.00 13.43 H ATOM 295 N ASN A 34 -1.246 -16.795 1.416 1.00 8.94 N ATOM 296 CA ASN A 34 -2.295 -16.019 2.063 1.00 7.97 C ATOM 297 C ASN A 34 -1.663 -14.887 2.862 1.00 7.99 C ATOM 298 O ASN A 34 -0.741 -15.116 3.647 1.00 10.14 O ATOM 299 CB ASN A 34 -3.134 -16.945 2.968 1.00 8.21 C ATOM 300 CG ASN A 34 -4.346 -16.253 3.599 1.00 8.82 C ATOM 301 OD1 ASN A 34 -4.211 -15.486 4.553 1.00 11.09 O ATOM 302 ND2 ASN A 34 -5.539 -16.571 3.097 1.00 10.75 N ATOM 303 H AASN A 34 -0.536 -17.160 2.050 0.92 9.71 H ATOM 304 D BASN A 34 -0.536 -17.160 2.050 0.08 9.71 D ATOM 305 HA ASN A 34 -2.946 -15.589 1.303 1.00 9.82 H ATOM 306 HB2 ASN A 34 -3.492 -17.772 2.361 1.00 11.77 H ATOM 307 HB3 ASN A 34 -2.503 -17.319 3.773 1.00 9.98 H ATOM 308 HD21AASN A 34 -6.378 -16.056 3.374 0.00 11.56 H ATOM 309 DD21BASN A 34 -6.378 -16.056 3.374 1.00 11.56 D ATOM 310 HD22AASN A 34 -5.623 -17.331 2.423 0.01 11.54 H ATOM 311 DD22BASN A 34 -5.623 -17.331 2.423 0.99 11.54 D ATOM 312 N SER A 37 -2.158 -13.672 2.655 1.00 7.70 N ATOM 313 CA SER A 37 -1.747 -12.502 3.427 1.00 10.80 C ATOM 314 C SER A 37 -2.984 -11.797 3.955 1.00 12.74 C ATOM 315 O SER A 37 -3.137 -10.576 3.853 1.00 12.94 O ATOM 316 CB SER A 37 -0.912 -11.560 2.574 1.00 13.91 C ATOM 317 OG SER A 37 -1.714 -10.906 1.597 1.00 12.52 O ATOM 318 H ASER A 37 -2.873 -13.460 1.953 0.00 9.63 H ATOM 319 D BSER A 37 -2.873 -13.460 1.953 1.00 9.63 D ATOM 320 HA SER A 37 -1.138 -12.808 4.281 1.00 12.71 H ATOM 321 HB3 SER A 37 -0.123 -12.133 2.084 1.00 16.09 H ATOM 322 N GLY A 38 -3.902 -12.588 4.505 1.00 11.63 N ATOM 323 CA GLY A 38 -5.228 -12.131 4.863 1.00 12.73 C ATOM 324 C GLY A 38 -6.277 -12.556 3.866 1.00 12.41 C ATOM 325 O GLY A 38 -7.476 -12.432 4.138 1.00 10.89 O ATOM 326 H AGLY A 38 -3.766 -13.588 4.654 0.00 12.61 H ATOM 327 D BGLY A 38 -3.766 -13.588 4.654 1.00 12.61 D ATOM 328 HA2 GLY A 38 -5.493 -12.475 5.859 1.00 12.92 H ATOM 329 HA3 GLY A 38 -5.252 -11.044 4.889 1.00 13.83 H ATOM 330 N TYR A 39 -5.827 -13.035 2.713 1.00 11.15 N ATOM 331 CA TYR A 39 -6.629 -13.415 1.565 1.00 11.36 C ATOM 332 C TYR A 39 -5.674 -14.143 0.632 1.00 7.86 C ATOM 333 O TYR A 39 -4.456 -13.940 0.696 1.00 7.78 O ATOM 334 CB TYR A 39 -7.190 -12.172 0.863 1.00 10.76 C ATOM 335 CG TYR A 39 -6.124 -11.126 0.619 1.00 10.89 C ATOM 336 CD1 TYR A 39 -5.321 -11.172 -0.508 1.00 12.73 C ATOM 337 CD2 TYR A 39 -5.884 -10.120 1.549 1.00 14.62 C ATOM 338 CE1 TYR A 39 -4.329 -10.240 -0.717 1.00 12.93 C ATOM 339 CE2 TYR A 39 -4.889 -9.182 1.343 1.00 12.91 C ATOM 340 CZ TYR A 39 -4.114 -9.251 0.210 1.00 14.38 C ATOM 341 OH TYR A 39 -3.121 -8.314 -0.015 1.00 16.32 O ATOM 342 H ATYR A 39 -4.829 -13.154 2.564 0.00 8.65 H ATOM 343 D BTYR A 39 -4.829 -13.154 2.564 1.00 8.65 D ATOM 344 HA TYR A 39 -7.459 -14.061 1.862 1.00 9.94 H ATOM 345 HB2 TYR A 39 -7.619 -12.474 -0.097 1.00 9.82 H ATOM 346 HB3 TYR A 39 -7.961 -11.749 1.503 1.00 9.33 H ATOM 347 HD1 TYR A 39 -5.480 -11.946 -1.240 1.00 12.39 H ATOM 348 HD2 TYR A 39 -6.488 -10.064 2.441 1.00 14.29 H ATOM 349 HE2 TYR A 39 -4.716 -8.396 2.059 1.00 16.54 H ATOM 350 HH ATYR A 39 -2.818 -7.935 0.838 0.23 18.34 H ATOM 351 DH BTYR A 39 -2.818 -7.935 0.838 0.77 18.34 D ATOM 352 N HIS A 40 -6.231 -14.994 -0.222 1.00 10.05 N ATOM 353 CA HIS A 40 -5.432 -15.664 -1.241 1.00 9.09 C ATOM 354 C HIS A 40 -4.938 -14.646 -2.259 1.00 9.04 C ATOM 355 O HIS A 40 -5.722 -13.864 -2.797 1.00 10.90 O ATOM 356 CB HIS A 40 -6.272 -16.687 -1.993 1.00 7.39 C ATOM 357 CG HIS A 40 -5.608 -17.177 -3.243 1.00 9.64 C ATOM 358 ND1 HIS A 40 -4.702 -18.213 -3.247 1.00 10.14 N ATOM 359 CD2 HIS A 40 -5.706 -16.760 -4.528 1.00 12.95 C ATOM 360 CE1 HIS A 40 -4.272 -18.420 -4.481 1.00 7.14 C ATOM 361 NE2 HIS A 40 -4.867 -17.550 -5.276 1.00 10.12 N ATOM 362 H AHIS A 40 -7.223 -15.226 -0.231 0.03 13.04 H ATOM 363 D BHIS A 40 -7.223 -15.226 -0.231 0.97 13.04 D ATOM 364 HA HIS A 40 -4.576 -16.182 -0.800 1.00 8.47 H ATOM 365 HB2 HIS A 40 -6.496 -17.539 -1.347 1.00 13.17 H ATOM 366 HB3 HIS A 40 -7.200 -16.197 -2.290 1.00 10.42 H ATOM 367 HD2 HIS A 40 -6.329 -15.957 -4.895 1.00 14.65 H ATOM 368 HE1 HIS A 40 -3.556 -19.173 -4.793 1.00 9.70 H ATOM 369 HE2AHIS A 40 -4.726 -17.470 -6.286 0.21 9.15 H ATOM 370 DE2BHIS A 40 -4.726 -17.470 -6.286 0.79 9.15 D ATOM 371 N PHE A 41 -3.636 -14.666 -2.544 1.00 8.99 N ATOM 372 CA PHE A 41 -3.091 -13.772 -3.557 1.00 8.37 C ATOM 373 C PHE A 41 -2.195 -14.437 -4.596 1.00 9.82 C ATOM 374 O PHE A 41 -1.892 -13.801 -5.609 1.00 11.52 O ATOM 375 CB PHE A 41 -2.347 -12.594 -2.906 1.00 7.22 C ATOM 376 CG PHE A 41 -1.065 -12.969 -2.249 1.00 8.37 C ATOM 377 CD1 PHE A 41 -1.020 -13.339 -0.916 1.00 9.94 C ATOM 378 CD2 PHE A 41 0.120 -12.959 -2.965 1.00 12.55 C ATOM 379 CE1 PHE A 41 0.173 -13.693 -0.309 1.00 13.23 C ATOM 380 CE2 PHE A 41 1.304 -13.311 -2.362 1.00 9.39 C ATOM 381 CZ PHE A 41 1.340 -13.677 -1.042 1.00 13.59 C ATOM 382 H APHE A 41 -2.966 -15.249 -2.053 0.04 7.07 H ATOM 383 D BPHE A 41 -2.966 -15.249 -2.053 0.96 7.07 D ATOM 384 HA PHE A 41 -3.937 -13.358 -4.106 1.00 7.69 H ATOM 385 HB2 PHE A 41 -2.144 -11.847 -3.672 1.00 12.93 H ATOM 386 HB3 PHE A 41 -3.006 -12.163 -2.159 1.00 11.52 H ATOM 387 HD1 PHE A 41 -1.924 -13.348 -0.333 1.00 10.99 H ATOM 388 HD2 PHE A 41 0.114 -12.683 -4.009 1.00 11.77 H ATOM 389 HE1 PHE A 41 0.185 -13.970 0.735 1.00 16.91 H ATOM 390 HE2 PHE A 41 2.212 -13.301 -2.935 1.00 11.76 H ATOM 391 HZ PHE A 41 2.282 -13.945 -0.583 1.00 16.62 H ATOM 392 N CYS A 42 -1.766 -15.676 -4.385 1.00 7.16 N ATOM 393 CA CYS A 42 -0.923 -16.366 -5.350 1.00 6.12 C ATOM 394 C CYS A 42 -0.929 -17.842 -5.017 1.00 6.05 C ATOM 395 O CYS A 42 -1.239 -18.243 -3.893 1.00 8.95 O ATOM 396 CB CYS A 42 0.528 -15.862 -5.334 1.00 7.36 C ATOM 397 SG CYS A 42 0.872 -14.403 -6.346 1.00 6.09 S ATOM 398 H ACYS A 42 -1.972 -16.209 -3.546 0.06 7.28 H ATOM 399 D BCYS A 42 -1.972 -16.209 -3.546 0.94 7.28 D ATOM 400 HA CYS A 42 -1.338 -16.230 -6.346 1.00 8.74 H ATOM 401 HB2 CYS A 42 0.810 -15.622 -4.310 1.00 10.97 H ATOM 402 HB3 CYS A 42 1.168 -16.658 -5.710 1.00 10.96 H ATOM 403 N GLY A 43 -0.572 -18.646 -6.014 1.00 6.34 N ATOM 404 CA GLY A 43 -0.324 -20.049 -5.807 1.00 6.99 C ATOM 405 C GLY A 43 1.156 -20.335 -5.596 1.00 7.01 C ATOM 406 O GLY A 43 2.008 -19.453 -5.609 1.00 9.64 O ATOM 407 H AGLY A 43 -0.423 -18.328 -6.974 0.83 9.03 H ATOM 408 D BGLY A 43 -0.423 -18.328 -6.974 0.17 9.03 D ATOM 409 HA2 GLY A 43 -0.883 -20.377 -4.931 1.00 8.69 H ATOM 410 HA3 GLY A 43 -0.669 -20.623 -6.667 1.00 7.77 H ATOM 411 N GLY A 44 1.440 -21.617 -5.434 1.00 7.17 N ATOM 412 CA GLY A 44 2.797 -22.104 -5.278 1.00 8.31 C ATOM 413 C GLY A 44 2.770 -23.614 -5.301 1.00 7.41 C ATOM 414 O GLY A 44 1.708 -24.235 -5.378 1.00 8.41 O ATOM 415 H AGLY A 44 0.731 -22.344 -5.394 0.98 10.13 H ATOM 416 D BGLY A 44 0.731 -22.344 -5.394 0.02 10.13 D ATOM 417 HA2 GLY A 44 3.432 -21.741 -6.086 1.00 11.78 H ATOM 418 HA3 GLY A 44 3.212 -21.775 -4.327 1.00 10.06 H ATOM 419 N SER A 45 3.959 -24.201 -5.211 1.00 6.94 N ATOM 420 CA SER A 45 4.112 -25.650 -5.235 1.00 7.96 C ATOM 421 C SER A 45 5.015 -26.103 -4.100 1.00 8.08 C ATOM 422 O SER A 45 6.083 -25.529 -3.870 1.00 10.71 O ATOM 423 CB SER A 45 4.748 -26.120 -6.546 1.00 7.88 C ATOM 424 OG SER A 45 3.977 -25.719 -7.653 1.00 13.46 O ATOM 425 H ASER A 45 4.838 -23.690 -5.136 1.00 8.98 H ATOM 426 D BSER A 45 4.838 -23.690 -5.136 0.00 8.98 D ATOM 427 HA SER A 45 3.133 -26.123 -5.126 1.00 10.50 H ATOM 428 HB2 SER A 45 5.752 -25.699 -6.623 1.00 14.12 H ATOM 429 HB3 SER A 45 4.800 -27.208 -6.540 1.00 13.37 H ATOM 430 N LEU A 46 4.603 -27.169 -3.434 1.00 7.17 N ATOM 431 CA LEU A 46 5.393 -27.778 -2.377 1.00 7.88 C ATOM 432 C LEU A 46 6.436 -28.708 -2.997 1.00 8.85 C ATOM 433 O LEU A 46 6.084 -29.700 -3.638 1.00 10.14 O ATOM 434 CB LEU A 46 4.460 -28.564 -1.465 1.00 11.89 C ATOM 435 CG LEU A 46 5.074 -29.078 -0.165 1.00 10.76 C ATOM 436 CD1 LEU A 46 5.441 -27.937 0.767 1.00 11.86 C ATOM 437 CD2 LEU A 46 4.112 -30.050 0.480 1.00 13.25 C ATOM 438 H ALEU A 46 3.714 -27.635 -3.605 1.00 9.02 H ATOM 439 D BLEU A 46 3.714 -27.635 -3.605 0.00 9.02 D ATOM 440 HA LEU A 46 5.895 -26.996 -1.811 1.00 10.24 H ATOM 441 HB2 LEU A 46 3.623 -27.917 -1.198 1.00 12.11 H ATOM 442 HB3 LEU A 46 4.087 -29.419 -2.032 1.00 11.15 H ATOM 443 HG LEU A 46 5.991 -29.616 -0.404 1.00 12.00 H ATOM 444 HD11 LEU A 46 5.767 -28.347 1.723 1.00 16.06 H ATOM 445 HD12 LEU A 46 6.258 -27.363 0.325 1.00 13.82 H ATOM 446 HD13 LEU A 46 4.568 -27.302 0.917 1.00 18.42 H ATOM 447 HD21 LEU A 46 4.459 -30.272 1.485 1.00 14.04 H ATOM 448 HD22 LEU A 46 3.112 -29.619 0.524 1.00 14.29 H ATOM 449 HD23 LEU A 46 4.097 -30.959 -0.118 1.00 17.33 H ATOM 450 N ILE A 47 7.719 -28.388 -2.815 1.00 10.32 N ATOM 451 CA ILE A 47 8.784 -29.223 -3.372 1.00 10.17 C ATOM 452 C ILE A 47 9.482 -30.088 -2.338 1.00 12.78 C ATOM 453 O ILE A 47 10.241 -30.994 -2.720 1.00 13.87 O ATOM 454 CB ILE A 47 9.793 -28.417 -4.211 1.00 10.35 C ATOM 455 CG1 ILE A 47 10.451 -27.328 -3.374 1.00 14.15 C ATOM 456 CG2 ILE A 47 9.073 -27.795 -5.378 1.00 12.13 C ATOM 457 CD1 ILE A 47 11.704 -26.753 -4.021 1.00 16.44 C ATOM 458 H AILE A 47 8.038 -27.540 -2.349 1.00 8.75 H ATOM 459 D BILE A 47 8.038 -27.540 -2.349 0.00 8.75 D ATOM 460 HA ILE A 47 8.306 -29.909 -4.068 1.00 11.34 H ATOM 461 HB ILE A 47 10.564 -29.093 -4.588 1.00 14.38 H ATOM 462 HG12 ILE A 47 9.745 -26.506 -3.245 1.00 15.32 H ATOM 463 HG13 ILE A 47 10.735 -27.737 -2.404 1.00 17.16 H ATOM 464 HG21 ILE A 47 8.657 -28.586 -6.000 1.00 15.90 H ATOM 465 HG22 ILE A 47 8.266 -27.154 -5.014 1.00 13.57 H ATOM 466 HG23 ILE A 47 9.788 -27.216 -5.957 1.00 13.92 H ATOM 467 HD11 ILE A 47 12.415 -27.556 -4.209 1.00 19.04 H ATOM 468 HD12 ILE A 47 11.435 -26.275 -4.960 1.00 18.50 H ATOM 469 HD13 ILE A 47 12.146 -26.022 -3.349 1.00 18.22 H ATOM 470 N ASN A 48 9.230 -29.868 -1.058 1.00 11.81 N ATOM 471 CA ASN A 48 9.604 -30.816 -0.018 1.00 12.63 C ATOM 472 C ASN A 48 8.879 -30.381 1.247 1.00 14.32 C ATOM 473 O ASN A 48 8.084 -29.436 1.235 1.00 16.64 O ATOM 474 CB ASN A 48 11.125 -30.959 0.137 1.00 13.35 C ATOM 475 CG ASN A 48 11.802 -29.704 0.668 1.00 16.53 C ATOM 476 OD1 ASN A 48 11.227 -28.941 1.437 1.00 17.21 O ATOM 477 ND2 ASN A 48 13.051 -29.500 0.257 1.00 27.62 N ATOM 478 H AASN A 48 8.728 -29.062 -0.698 0.04 12.52 H ATOM 479 D BASN A 48 8.728 -29.062 -0.698 0.96 12.52 D ATOM 480 HA ASN A 48 9.208 -31.794 -0.294 1.00 18.57 H ATOM 481 HB2 ASN A 48 11.334 -31.776 0.825 1.00 16.39 H ATOM 482 HB3 ASN A 48 11.571 -31.177 -0.833 1.00 15.99 H ATOM 483 HD21AASN A 48 13.773 -29.256 0.937 0.44 14.09 H ATOM 484 DD21BASN A 48 13.773 -29.256 0.937 0.56 14.09 D ATOM 485 HD22AASN A 48 13.288 -29.607 -0.730 0.38 16.15 H ATOM 486 DD22BASN A 48 13.288 -29.607 -0.730 0.62 16.15 D ATOM 487 N SER A 49 9.148 -31.085 2.345 1.00 13.33 N ATOM 488 CA SER A 49 8.376 -30.853 3.555 1.00 17.84 C ATOM 489 C SER A 49 8.489 -29.422 4.063 1.00 13.16 C ATOM 490 O SER A 49 7.602 -28.972 4.799 1.00 12.43 O ATOM 491 CB SER A 49 8.763 -31.843 4.656 1.00 17.69 C ATOM 492 OG SER A 49 10.138 -31.750 4.975 1.00 17.55 O ATOM 493 H ASER A 49 9.863 -31.809 2.398 0.09 12.55 H ATOM 494 D BSER A 49 9.863 -31.809 2.398 0.91 12.55 D ATOM 495 HA SER A 49 7.330 -31.022 3.303 1.00 13.47 H ATOM 496 HB2 SER A 49 8.184 -31.622 5.554 1.00 17.89 H ATOM 497 HB3 SER A 49 8.539 -32.855 4.324 1.00 19.56 H ATOM 498 N GLN A 50 9.533 -28.683 3.679 1.00 11.64 N ATOM 499 CA GLN A 50 9.766 -27.371 4.265 1.00 14.13 C ATOM 500 C GLN A 50 9.962 -26.241 3.253 1.00 10.26 C ATOM 501 O GLN A 50 10.246 -25.112 3.664 1.00 10.85 O ATOM 502 CB GLN A 50 10.938 -27.426 5.250 1.00 13.78 C ATOM 503 CG GLN A 50 10.874 -26.312 6.299 1.00 21.75 C ATOM 504 CD GLN A 50 11.677 -26.623 7.554 1.00 23.69 C ATOM 505 OE1 GLN A 50 12.384 -27.626 7.620 1.00 19.92 O ATOM 506 NE2 GLN A 50 11.567 -25.752 8.557 1.00 21.48 N ATOM 507 H AGLN A 50 10.233 -28.977 3.006 0.05 12.10 H ATOM 508 D BGLN A 50 10.233 -28.977 3.006 0.95 12.10 D ATOM 509 HA GLN A 50 8.890 -27.110 4.852 1.00 16.08 H ATOM 510 HB2 GLN A 50 10.901 -28.382 5.770 1.00 19.43 H ATOM 511 HB3 GLN A 50 11.879 -27.339 4.704 1.00 22.97 H ATOM 512 HG2 GLN A 50 11.266 -25.405 5.847 1.00 17.35 H ATOM 513 HG3 GLN A 50 9.838 -26.161 6.592 1.00 20.51 H ATOM 514 HE21AGLN A 50 12.057 -25.910 9.438 0.34 17.90 H ATOM 515 DE21BGLN A 50 12.057 -25.910 9.438 0.66 17.90 D ATOM 516 HE22AGLN A 50 10.989 -24.917 8.439 0.33 16.49 H ATOM 517 DE22BGLN A 50 10.989 -24.917 8.439 0.67 16.49 D ATOM 518 N TRP A 51 9.792 -26.492 1.954 1.00 9.60 N ATOM 519 CA TRP A 51 10.046 -25.463 0.955 1.00 7.28 C ATOM 520 C TRP A 51 8.966 -25.422 -0.114 1.00 7.33 C ATOM 521 O TRP A 51 8.513 -26.460 -0.609 1.00 7.98 O ATOM 522 CB TRP A 51 11.386 -25.667 0.258 1.00 6.51 C ATOM 523 CG TRP A 51 12.582 -25.371 1.109 1.00 9.64 C ATOM 524 CD1 TRP A 51 13.231 -26.235 1.956 1.00 10.30 C ATOM 525 CD2 TRP A 51 13.287 -24.123 1.195 1.00 9.68 C ATOM 526 NE1 TRP A 51 14.288 -25.600 2.554 1.00 10.50 N ATOM 527 CE2 TRP A 51 14.347 -24.306 2.106 1.00 11.60 C ATOM 528 CE3 TRP A 51 13.126 -22.874 0.590 1.00 8.41 C ATOM 529 CZ2 TRP A 51 15.239 -23.287 2.428 1.00 12.08 C ATOM 530 CZ3 TRP A 51 14.012 -21.860 0.909 1.00 11.21 C ATOM 531 CH2 TRP A 51 15.058 -22.070 1.821 1.00 11.62 C ATOM 532 H ATRP A 51 9.525 -27.393 1.563 0.96 11.51 H ATOM 533 D BTRP A 51 9.525 -27.393 1.563 0.04 11.51 D ATOM 534 HA TRP A 51 10.055 -24.487 1.443 1.00 9.35 H ATOM 535 HB2 TRP A 51 11.479 -26.697 -0.083 1.00 10.79 H ATOM 536 HB3 TRP A 51 11.429 -24.985 -0.590 1.00 11.19 H ATOM 537 HD1 TRP A 51 12.962 -27.265 2.131 1.00 11.05 H ATOM 538 HE1ATRP A 51 14.929 -26.009 3.231 0.07 12.63 H ATOM 539 DE1BTRP A 51 14.929 -26.009 3.231 0.93 12.63 D ATOM 540 HE3 TRP A 51 12.326 -22.703 -0.112 1.00 10.33 H ATOM 541 HZ2 TRP A 51 16.041 -23.450 3.131 1.00 12.53 H ATOM 542 HZ3 TRP A 51 13.901 -20.889 0.450 1.00 12.75 H ATOM 543 HH2 TRP A 51 15.735 -21.256 2.051 1.00 12.35 H ATOM 544 N VAL A 52 8.604 -24.199 -0.487 1.00 7.75 N ATOM 545 CA VAL A 52 7.627 -23.909 -1.530 1.00 7.78 C ATOM 546 C VAL A 52 8.295 -23.078 -2.623 1.00 7.87 C ATOM 547 O VAL A 52 9.126 -22.211 -2.332 1.00 7.29 O ATOM 548 CB VAL A 52 6.443 -23.136 -0.906 1.00 10.65 C ATOM 549 CG1 VAL A 52 5.573 -22.460 -1.972 1.00 9.96 C ATOM 550 CG2 VAL A 52 5.625 -24.056 -0.015 1.00 10.11 C ATOM 551 H AVAL A 52 8.985 -23.357 -0.049 1.00 6.67 H ATOM 552 D BVAL A 52 8.985 -23.357 -0.049 0.00 6.67 D ATOM 553 HA VAL A 52 7.270 -24.842 -1.961 1.00 8.94 H ATOM 554 HB VAL A 52 6.837 -22.340 -0.276 1.00 10.20 H ATOM 555 HG11 VAL A 52 4.746 -21.956 -1.472 1.00 12.34 H ATOM 556 HG12 VAL A 52 6.168 -21.718 -2.501 1.00 12.44 H ATOM 557 HG13 VAL A 52 5.191 -23.197 -2.676 1.00 10.43 H ATOM 558 HG21 VAL A 52 4.863 -23.474 0.501 1.00 13.21 H ATOM 559 HG22 VAL A 52 5.154 -24.834 -0.615 1.00 14.12 H ATOM 560 HG23 VAL A 52 6.288 -24.507 0.719 1.00 13.83 H ATOM 561 N AVAL A 53 7.929 -23.365 -3.883 0.38 9.10 N ATOM 562 N BVAL A 53 7.916 -23.311 -3.876 0.62 9.10 N ATOM 563 CA AVAL A 53 8.320 -22.577 -5.050 0.38 8.28 C ATOM 564 CA BVAL A 53 8.409 -22.504 -4.987 0.62 8.11 C ATOM 565 C AVAL A 53 7.141 -21.705 -5.457 0.38 7.65 C ATOM 566 C BVAL A 53 7.237 -21.770 -5.626 0.62 7.37 C ATOM 567 O AVAL A 53 5.983 -22.138 -5.393 0.38 8.71 O ATOM 568 O BVAL A 53 6.179 -22.364 -5.873 0.62 8.49 O ATOM 569 CB AVAL A 53 8.718 -23.490 -6.228 0.38 9.15 C ATOM 570 CB BVAL A 53 9.182 -23.351 -6.015 0.62 10.17 C ATOM 571 CG1AVAL A 53 8.993 -22.654 -7.475 0.38 12.55 C ATOM 572 CG1BVAL A 53 8.264 -24.326 -6.711 0.62 11.22 C ATOM 573 CG2AVAL A 53 9.921 -24.342 -5.883 0.38 10.19 C ATOM 574 CG2BVAL A 53 9.900 -22.443 -7.022 0.62 13.47 C ATOM 575 H AVAL A 53 7.330 -24.157 -4.121 0.38 9.51 H ATOM 576 H BVAL A 53 7.259 -24.044 -4.147 0.62 9.41 H ATOM 577 HA AVAL A 53 9.164 -21.937 -4.789 0.38 9.27 H ATOM 578 HA BVAL A 53 9.095 -21.757 -4.586 0.62 8.81 H ATOM 579 HB AVAL A 53 7.887 -24.162 -6.452 0.38 11.06 H ATOM 580 HB BVAL A 53 9.936 -23.925 -5.477 0.62 11.01 H ATOM 581 HG11AVAL A 53 9.791 -23.118 -8.053 0.38 13.42 H ATOM 582 HG11BVAL A 53 8.878 -24.963 -7.344 0.62 13.40 H ATOM 583 HG12BVAL A 53 7.738 -24.931 -5.973 0.62 13.10 H ATOM 584 HG13AVAL A 53 9.299 -21.655 -7.171 0.38 11.60 H ATOM 585 HG13BVAL A 53 7.547 -23.777 -7.317 0.62 12.74 H ATOM 586 HG21AVAL A 53 10.625 -23.746 -5.307 0.38 11.04 H ATOM 587 HG22AVAL A 53 9.586 -25.194 -5.296 0.38 11.90 H ATOM 588 HG22BVAL A 53 10.287 -23.053 -7.836 0.62 13.24 H ATOM 589 HG23AVAL A 53 10.386 -24.687 -6.806 0.38 12.91 H ATOM 590 HG23BVAL A 53 9.187 -21.723 -7.421 0.62 11.59 H ATOM 591 N SER A 54 7.426 -20.479 -5.881 1.00 7.84 N ATOM 592 CA SER A 54 6.385 -19.618 -6.427 1.00 7.19 C ATOM 593 C SER A 54 7.044 -18.634 -7.390 1.00 5.89 C ATOM 594 O SER A 54 8.216 -18.783 -7.749 1.00 8.00 O ATOM 595 CB SER A 54 5.647 -18.947 -5.262 1.00 7.97 C ATOM 596 OG SER A 54 4.556 -18.149 -5.690 1.00 7.79 O ATOM 597 H ASER A 54 8.354 -20.049 -5.837 1.00 7.61 H ATOM 598 D BSER A 54 8.354 -20.049 -5.837 0.00 7.61 D ATOM 599 HA SER A 54 5.647 -20.184 -7.002 1.00 5.88 H ATOM 600 HB2 SER A 54 5.278 -19.743 -4.612 1.00 8.84 H ATOM 601 HB3 SER A 54 6.357 -18.313 -4.736 1.00 8.89 H ATOM 602 HG ASER A 54 3.732 -18.679 -5.673 0.94 8.05 H ATOM 603 DG BSER A 54 3.732 -18.679 -5.673 0.06 8.05 D ATOM 604 N ALA A 55 6.290 -17.628 -7.811 1.00 5.60 N ATOM 605 CA ALA A 55 6.815 -16.591 -8.681 1.00 4.92 C ATOM 606 C ALA A 55 7.372 -15.459 -7.838 1.00 6.43 C ATOM 607 O ALA A 55 6.851 -15.139 -6.765 1.00 8.49 O ATOM 608 CB ALA A 55 5.716 -16.057 -9.600 1.00 5.67 C ATOM 609 H AALA A 55 5.321 -17.484 -7.526 0.92 6.34 H ATOM 610 D BALA A 55 5.321 -17.484 -7.526 0.08 6.34 D ATOM 611 HA ALA A 55 7.620 -16.996 -9.292 1.00 8.21 H ATOM 612 HB1 ALA A 55 6.150 -15.336 -10.292 1.00 9.56 H ATOM 613 HB2 ALA A 55 5.335 -16.907 -10.158 1.00 7.71 H ATOM 614 HB3 ALA A 55 4.916 -15.604 -9.016 1.00 9.77 H ATOM 615 N ALA A 56 8.446 -14.849 -8.333 1.00 6.43 N ATOM 616 CA ALA A 56 9.032 -13.723 -7.625 1.00 7.39 C ATOM 617 C ALA A 56 8.079 -12.543 -7.598 1.00 9.54 C ATOM 618 O ALA A 56 8.075 -11.774 -6.633 1.00 6.75 O ATOM 619 CB ALA A 56 10.348 -13.324 -8.280 1.00 7.10 C ATOM 620 H AALA A 56 8.893 -15.059 -9.222 1.00 7.01 H ATOM 621 D BALA A 56 8.893 -15.059 -9.222 0.00 7.01 D ATOM 622 HA ALA A 56 9.231 -14.021 -6.598 1.00 8.63 H ATOM 623 HB1 ALA A 56 11.058 -14.151 -8.241 1.00 10.50 H ATOM 624 HB2 ALA A 56 10.148 -13.068 -9.316 1.00 11.32 H ATOM 625 HB3 ALA A 56 10.743 -12.449 -7.771 1.00 10.77 H ATOM 626 N HIS A 57 7.252 -12.385 -8.632 1.00 7.48 N ATOM 627 CA HIS A 57 6.305 -11.277 -8.622 1.00 8.03 C ATOM 628 C HIS A 57 5.211 -11.451 -7.577 1.00 6.72 C ATOM 629 O HIS A 57 4.406 -10.535 -7.390 1.00 12.59 O ATOM 630 CB HIS A 57 5.753 -10.980 -10.017 1.00 10.33 C ATOM 631 CG HIS A 57 4.605 -11.837 -10.436 1.00 7.96 C ATOM 632 ND1 HIS A 57 4.754 -12.934 -11.261 1.00 8.93 N ATOM 633 CD2 HIS A 57 3.281 -11.748 -10.164 1.00 10.70 C ATOM 634 CE1 HIS A 57 3.573 -13.485 -11.472 1.00 12.12 C ATOM 635 NE2 HIS A 57 2.662 -12.784 -10.821 1.00 13.88 N ATOM 636 H AHIS A 57 7.255 -12.956 -9.476 0.03 7.91 H ATOM 637 D BHIS A 57 7.255 -12.956 -9.476 0.97 7.91 D ATOM 638 HA HIS A 57 6.860 -10.389 -8.337 1.00 6.72 H ATOM 639 HB2 HIS A 57 5.392 -9.954 -10.020 1.00 18.09 H ATOM 640 HB3 HIS A 57 6.550 -11.081 -10.749 1.00 9.92 H ATOM 641 HD1AHIS A 57 5.639 -13.270 -11.650 0.15 10.82 H ATOM 642 DD1BHIS A 57 5.639 -13.270 -11.650 0.85 10.82 D ATOM 643 HD2 HIS A 57 2.790 -11.007 -9.546 1.00 11.34 H ATOM 644 HE1 HIS A 57 3.381 -14.358 -12.074 1.00 11.45 H ATOM 645 DE2AHIS A 57 1.663 -12.986 -10.805 0.29 13.29 D ATOM 646 N CYS A 58 5.173 -12.594 -6.892 1.00 8.45 N ATOM 647 CA CYS A 58 4.267 -12.820 -5.776 1.00 6.48 C ATOM 648 C CYS A 58 4.888 -12.453 -4.435 1.00 12.70 C ATOM 649 O CYS A 58 4.261 -12.668 -3.395 1.00 10.89 O ATOM 650 CB CYS A 58 3.841 -14.287 -5.735 1.00 9.35 C ATOM 651 SG CYS A 58 2.729 -14.753 -7.089 1.00 8.63 S ATOM 652 H ACYS A 58 5.772 -13.392 -7.102 0.08 10.97 H ATOM 653 D BCYS A 58 5.772 -13.392 -7.102 0.92 10.97 D ATOM 654 HA CYS A 58 3.372 -12.218 -5.925 1.00 9.36 H ATOM 655 HB2 CYS A 58 4.725 -14.914 -5.839 1.00 10.98 H ATOM 656 HB3 CYS A 58 3.338 -14.503 -4.794 1.00 12.42 H ATOM 657 N TYR A 59 6.117 -11.958 -4.436 1.00 8.69 N ATOM 658 CA TYR A 59 6.793 -11.609 -3.195 1.00 10.14 C ATOM 659 C TYR A 59 6.015 -10.576 -2.387 1.00 10.67 C ATOM 660 O TYR A 59 5.552 -9.562 -2.914 1.00 11.07 O ATOM 661 CB TYR A 59 8.170 -11.024 -3.485 1.00 10.28 C ATOM 662 CG TYR A 59 8.762 -10.382 -2.248 1.00 12.20 C ATOM 663 CD1 TYR A 59 9.321 -11.155 -1.242 1.00 14.27 C ATOM 664 CD2 TYR A 59 8.709 -9.007 -2.069 1.00 14.08 C ATOM 665 CE1 TYR A 59 9.827 -10.571 -0.096 1.00 16.45 C ATOM 666 CE2 TYR A 59 9.219 -8.415 -0.925 1.00 13.76 C ATOM 667 CZ TYR A 59 9.782 -9.200 0.044 1.00 11.02 C ATOM 668 OH TYR A 59 10.285 -8.597 1.179 1.00 18.56 O ATOM 669 H ATYR A 59 6.678 -11.831 -5.282 0.02 9.47 H ATOM 670 D BTYR A 59 6.678 -11.831 -5.282 0.98 9.47 D ATOM 671 HA TYR A 59 6.934 -12.507 -2.594 1.00 15.13 H ATOM 672 HB2 TYR A 59 8.836 -11.802 -3.852 1.00 13.57 H ATOM 673 HB3 TYR A 59 8.064 -10.250 -4.245 1.00 15.67 H ATOM 674 HD1 TYR A 59 9.361 -12.231 -1.356 1.00 18.49 H ATOM 675 HD2 TYR A 59 8.271 -8.385 -2.836 1.00 18.78 H ATOM 676 HE1 TYR A 59 10.276 -11.182 0.672 1.00 16.88 H ATOM 677 HE2 TYR A 59 9.188 -7.344 -0.799 1.00 20.94 H ATOM 678 HH ATYR A 59 10.303 -9.227 1.923 0.29 15.27 H ATOM 679 DH BTYR A 59 10.303 -9.227 1.923 0.71 15.27 D ATOM 680 N LYS A 60 5.921 -10.833 -1.086 1.00 11.22 N ATOM 681 CA LYS A 60 5.519 -9.828 -0.108 1.00 17.67 C ATOM 682 C LYS A 60 5.927 -10.327 1.269 1.00 14.98 C ATOM 683 O LYS A 60 6.297 -11.489 1.448 1.00 18.01 O ATOM 684 CB LYS A 60 4.020 -9.519 -0.171 1.00 19.27 C ATOM 685 CG LYS A 60 3.129 -10.692 0.098 1.00 22.66 C ATOM 686 CD LYS A 60 1.705 -10.246 0.363 1.00 21.33 C ATOM 687 CE LYS A 60 1.024 -9.687 -0.869 1.00 20.63 C ATOM 688 NZ LYS A 60 -0.417 -9.384 -0.602 1.00 25.65 N ATOM 689 H ALYS A 60 6.161 -11.733 -0.672 0.10 11.91 H ATOM 690 D BLYS A 60 6.161 -11.733 -0.672 0.90 11.91 D ATOM 691 HA LYS A 60 6.054 -8.904 -0.316 1.00 22.49 H ATOM 692 HB2 LYS A 60 3.789 -8.748 0.565 1.00 24.83 H ATOM 693 HB3 LYS A 60 3.786 -9.156 -1.171 1.00 19.46 H ATOM 694 HG2 LYS A 60 3.120 -11.354 -0.767 1.00 20.07 H ATOM 695 HG3 LYS A 60 3.479 -11.234 0.975 1.00 22.49 H ATOM 696 HD2 LYS A 60 1.128 -11.108 0.685 1.00 22.83 H ATOM 697 HD3 LYS A 60 1.691 -9.476 1.132 1.00 22.33 H ATOM 698 HE3 LYS A 60 1.078 -10.423 -1.667 1.00 20.14 H ATOM 699 HZ1ALYS A 60 -0.507 -8.460 -0.134 0.27 20.96 H ATOM 700 DZ1BLYS A 60 -0.507 -8.460 -0.134 0.73 20.96 D ATOM 701 HZ2ALYS A 60 -0.941 -9.365 -1.502 0.30 13.68 H ATOM 702 DZ2BLYS A 60 -0.941 -9.365 -1.502 0.70 13.68 D ATOM 703 HZ3ALYS A 60 -0.834 -10.113 0.017 0.34 16.82 H ATOM 704 DZ3BLYS A 60 -0.834 -10.113 0.017 0.66 16.82 D ATOM 705 N SER A 61 5.875 -9.423 2.242 1.00 15.79 N ATOM 706 CA SER A 61 6.114 -9.805 3.627 1.00 20.74 C ATOM 707 C SER A 61 4.849 -10.386 4.249 1.00 17.40 C ATOM 708 O SER A 61 3.726 -10.055 3.860 1.00 27.02 O ATOM 709 CB SER A 61 6.581 -8.597 4.443 1.00 24.30 C ATOM 710 H ASER A 61 5.673 -8.437 2.100 0.24 18.26 H ATOM 711 D BSER A 61 5.673 -8.437 2.100 0.76 18.26 D ATOM 712 N GLY A 62 5.044 -11.267 5.224 1.00 19.65 N ATOM 713 CA GLY A 62 3.939 -11.751 6.034 1.00 25.27 C ATOM 714 C GLY A 62 3.125 -12.864 5.411 1.00 23.16 C ATOM 715 O GLY A 62 1.901 -12.910 5.589 1.00 25.92 O ATOM 716 H AGLY A 62 5.959 -11.664 5.461 0.00 18.98 H ATOM 717 D BGLY A 62 5.959 -11.664 5.461 1.00 18.98 D ATOM 718 HA2 GLY A 62 4.332 -12.116 6.981 1.00 27.60 H ATOM 719 HA3 GLY A 62 3.270 -10.918 6.250 1.00 24.33 H ATOM 720 N ILE A 63 3.773 -13.772 4.699 1.00 15.78 N ATOM 721 CA ILE A 63 3.078 -14.831 3.969 1.00 17.37 C ATOM 722 C ILE A 63 2.745 -15.969 4.923 1.00 11.55 C ATOM 723 O ILE A 63 3.598 -16.413 5.696 1.00 10.16 O ATOM 724 CB ILE A 63 3.950 -15.339 2.807 1.00 13.24 C ATOM 725 CG1 ILE A 63 4.131 -14.247 1.753 1.00 17.44 C ATOM 726 CG2 ILE A 63 3.334 -16.600 2.170 1.00 14.21 C ATOM 727 CD1 ILE A 63 5.181 -14.592 0.720 1.00 21.09 C ATOM 728 H AILE A 63 4.785 -13.794 4.594 0.00 17.00 H ATOM 729 D BILE A 63 4.785 -13.794 4.594 1.00 17.00 D ATOM 730 HA ILE A 63 2.142 -14.452 3.558 1.00 18.33 H ATOM 731 HB ILE A 63 4.933 -15.592 3.207 1.00 19.71 H ATOM 732 HG12 ILE A 63 3.190 -14.071 1.228 1.00 20.16 H ATOM 733 HG13 ILE A 63 4.452 -13.334 2.254 1.00 17.61 H ATOM 734 HG21 ILE A 63 3.993 -16.978 1.387 1.00 12.92 H ATOM 735 HG22 ILE A 63 3.206 -17.378 2.921 1.00 15.24 H ATOM 736 HG23 ILE A 63 2.363 -16.340 1.749 1.00 15.96 H ATOM 737 HD11 ILE A 63 5.041 -15.611 0.361 1.00 19.42 H ATOM 738 HD13 ILE A 63 6.166 -14.488 1.172 1.00 23.60 H ATOM 739 N GLN A 64 1.509 -16.465 4.849 1.00 11.98 N ATOM 740 CA GLN A 64 1.140 -17.752 5.426 1.00 8.86 C ATOM 741 C GLN A 64 0.873 -18.723 4.284 1.00 9.35 C ATOM 742 O GLN A 64 0.115 -18.414 3.360 1.00 12.29 O ATOM 743 CB GLN A 64 -0.096 -17.636 6.315 1.00 11.49 C ATOM 744 CG GLN A 64 -0.454 -18.912 7.078 1.00 10.94 C ATOM 745 CD GLN A 64 -1.800 -18.831 7.779 1.00 13.83 C ATOM 746 OE1 GLN A 64 -2.837 -18.684 7.140 1.00 14.45 O ATOM 747 NE2 GLN A 64 -1.785 -18.945 9.106 1.00 15.53 N ATOM 748 H AGLN A 64 0.742 -16.004 4.366 0.03 12.75 H ATOM 749 D BGLN A 64 0.742 -16.004 4.366 0.97 12.75 D ATOM 750 HA GLN A 64 1.977 -18.130 6.010 1.00 10.83 H ATOM 751 HB2 GLN A 64 0.085 -16.857 7.053 1.00 14.35 H ATOM 752 HB3 GLN A 64 -0.949 -17.355 5.699 1.00 14.29 H ATOM 753 HG2 GLN A 64 -0.512 -19.742 6.375 1.00 11.68 H ATOM 754 HG3 GLN A 64 0.309 -19.119 7.826 1.00 15.71 H ATOM 755 HE21AGLN A 64 -2.667 -19.051 9.606 0.22 21.91 H ATOM 756 DE21BGLN A 64 -2.667 -19.051 9.606 0.78 21.91 D ATOM 757 HE22AGLN A 64 -0.900 -18.938 9.610 0.14 15.50 H ATOM 758 DE22BGLN A 64 -0.900 -18.938 9.610 0.86 15.50 D ATOM 759 N VAL A 65 1.493 -19.890 4.350 1.00 9.55 N ATOM 760 CA VAL A 65 1.352 -20.901 3.314 1.00 9.80 C ATOM 761 C VAL A 65 0.234 -21.850 3.731 1.00 8.68 C ATOM 762 O VAL A 65 0.249 -22.389 4.844 1.00 11.21 O ATOM 763 CB VAL A 65 2.683 -21.644 3.121 1.00 12.81 C ATOM 764 CG1 VAL A 65 2.551 -22.769 2.104 1.00 10.78 C ATOM 765 CG2 VAL A 65 3.760 -20.676 2.669 1.00 10.88 C ATOM 766 H AVAL A 65 2.119 -20.165 5.111 0.69 10.71 H ATOM 767 D BVAL A 65 2.119 -20.165 5.111 0.31 10.71 D ATOM 768 HA VAL A 65 1.062 -20.426 2.374 1.00 12.52 H ATOM 769 HB VAL A 65 2.980 -22.063 4.084 1.00 14.48 H ATOM 770 HG11 VAL A 65 2.521 -22.341 1.108 1.00 15.59 H ATOM 771 HG12 VAL A 65 3.415 -23.425 2.180 1.00 15.40 H ATOM 772 HG13 VAL A 65 1.642 -23.337 2.283 1.00 13.68 H ATOM 773 HG21 VAL A 65 3.414 -20.181 1.762 1.00 16.41 H ATOM 774 HG22 VAL A 65 3.941 -19.938 3.450 1.00 19.23 H ATOM 775 HG23 VAL A 65 4.670 -21.238 2.463 1.00 12.99 H ATOM 776 N ARG A 66 -0.744 -22.047 2.842 1.00 8.74 N ATOM 777 CA ARG A 66 -1.899 -22.886 3.132 1.00 7.98 C ATOM 778 C ARG A 66 -1.874 -24.127 2.253 1.00 9.33 C ATOM 779 O ARG A 66 -2.015 -24.041 1.029 1.00 7.80 O ATOM 780 CB ARG A 66 -3.207 -22.115 3.001 1.00 6.96 C ATOM 781 CG ARG A 66 -3.253 -20.923 3.958 1.00 9.24 C ATOM 782 CD ARG A 66 -4.623 -20.287 4.045 1.00 8.44 C ATOM 783 NE ARG A 66 -4.721 -19.639 5.337 1.00 10.11 N ATOM 784 CZ ARG A 66 -5.851 -19.288 5.936 1.00 9.02 C ATOM 785 NH1 ARG A 66 -7.026 -19.487 5.359 1.00 10.23 N ATOM 786 NH2 ARG A 66 -5.790 -18.726 7.136 1.00 15.22 N ATOM 787 H AARG A 66 -0.760 -21.627 1.913 1.00 9.34 H ATOM 788 D BARG A 66 -0.760 -21.627 1.913 0.00 9.34 D ATOM 789 HA ARG A 66 -1.820 -23.210 4.165 1.00 8.10 H ATOM 790 HB2 ARG A 66 -3.324 -21.761 1.978 1.00 9.08 H ATOM 791 HB3 ARG A 66 -4.038 -22.772 3.271 1.00 10.46 H ATOM 792 HG2 ARG A 66 -3.016 -21.281 4.964 1.00 12.36 H ATOM 793 HG3 ARG A 66 -2.524 -20.171 3.654 1.00 10.37 H ATOM 794 HD2 ARG A 66 -4.783 -19.586 3.232 1.00 9.46 H ATOM 795 HD3 ARG A 66 -5.367 -21.084 4.012 1.00 13.89 H ATOM 796 HE AARG A 66 -3.845 -19.363 5.784 0.00 9.89 H ATOM 797 DE BARG A 66 -3.845 -19.363 5.784 1.00 9.89 D ATOM 798 HH11AARG A 66 -7.090 -19.920 4.440 0.00 13.37 H ATOM 799 DH11BARG A 66 -7.090 -19.920 4.440 1.00 13.37 D ATOM 800 HH12AARG A 66 -7.870 -19.193 5.850 0.17 15.28 H ATOM 801 DH12BARG A 66 -7.870 -19.193 5.850 0.83 15.28 D ATOM 802 HH21AARG A 66 -4.878 -18.596 7.575 0.00 13.31 H ATOM 803 DH21BARG A 66 -4.878 -18.596 7.575 1.00 13.31 D ATOM 804 HH22AARG A 66 -6.645 -18.443 7.619 0.17 13.73 H ATOM 805 DH22BARG A 66 -6.645 -18.443 7.619 0.83 13.73 D ATOM 806 N LEU A 67 -1.683 -25.271 2.897 1.00 7.91 N ATOM 807 CA LEU A 67 -1.587 -26.564 2.251 1.00 8.02 C ATOM 808 C LEU A 67 -2.878 -27.337 2.459 1.00 7.74 C ATOM 809 O LEU A 67 -3.648 -27.071 3.380 1.00 8.18 O ATOM 810 CB ALEU A 67 -0.414 -27.357 2.837 0.50 10.70 C ATOM 811 CB CLEU A 67 -0.430 -27.365 2.850 0.50 10.69 C ATOM 812 CG ALEU A 67 0.943 -26.642 2.819 0.50 13.10 C ATOM 813 CG CLEU A 67 0.945 -26.703 2.794 0.50 13.09 C ATOM 814 CD1ALEU A 67 1.343 -26.193 4.218 0.50 13.84 C ATOM 815 CD1CLEU A 67 1.934 -27.499 3.621 0.50 13.59 C ATOM 816 CD2ALEU A 67 2.023 -27.520 2.214 0.50 14.92 C ATOM 817 CD2CLEU A 67 1.433 -26.571 1.363 0.50 16.56 C ATOM 818 H ALEU A 67 -1.553 -25.321 3.902 0.37 10.86 H ATOM 819 D BLEU A 67 -1.553 -25.321 3.902 0.63 10.86 D ATOM 820 HA LEU A 67 -1.424 -26.429 1.180 1.00 10.88 H ATOM 821 HB2ALEU A 67 -0.641 -27.603 3.875 0.50 13.43 H ATOM 822 HB2CLEU A 67 -0.652 -27.566 3.898 0.50 13.44 H ATOM 823 HB3ALEU A 67 -0.308 -28.280 2.268 0.50 11.95 H ATOM 824 HB3CLEU A 67 -0.359 -28.311 2.315 0.50 11.92 H ATOM 825 HG ALEU A 67 0.864 -25.749 2.199 0.50 14.12 H ATOM 826 HD11ALEU A 67 2.311 -25.693 4.173 0.50 15.06 H ATOM 827 HD11CLEU A 67 1.937 -28.532 3.279 0.50 16.31 H ATOM 828 HD12CLEU A 67 2.928 -27.069 3.492 0.50 15.67 H ATOM 829 HD13ALEU A 67 1.397 -27.067 4.865 0.50 13.99 H ATOM 830 HD13CLEU A 67 1.634 -27.455 4.668 0.50 14.35 H ATOM 831 HD21ALEU A 67 3.001 -27.109 2.469 0.50 13.70 H ATOM 832 HD21CLEU A 67 2.415 -26.100 1.364 0.50 14.84 H ATOM 833 HD22ALEU A 67 1.928 -28.528 2.612 0.50 16.05 H ATOM 834 HD22CLEU A 67 1.495 -27.565 0.924 0.50 15.79 H ATOM 835 HD23ALEU A 67 1.894 -27.531 1.133 0.50 15.94 H ATOM 836 HD23CLEU A 67 0.728 -25.963 0.798 0.50 12.45 H ATOM 837 N GLY A 69 -3.109 -28.309 1.579 1.00 8.03 N ATOM 838 CA GLY A 69 -4.265 -29.167 1.727 1.00 8.33 C ATOM 839 C GLY A 69 -5.586 -28.490 1.463 1.00 10.35 C ATOM 840 O GLY A 69 -6.627 -28.982 1.910 1.00 9.71 O ATOM 841 H AGLY A 69 -2.529 -28.490 0.765 0.00 10.63 H ATOM 842 D BGLY A 69 -2.529 -28.490 0.765 1.00 10.63 D ATOM 843 HA2 GLY A 69 -4.179 -30.022 1.059 1.00 10.33 H ATOM 844 HA3 GLY A 69 -4.311 -29.547 2.748 1.00 13.11 H ATOM 845 N GLU A 70 -5.579 -27.386 0.723 1.00 7.90 N ATOM 846 CA GLU A 70 -6.788 -26.618 0.460 1.00 6.97 C ATOM 847 C GLU A 70 -7.549 -27.144 -0.748 1.00 8.44 C ATOM 848 O GLU A 70 -6.957 -27.538 -1.755 1.00 7.65 O ATOM 849 CB GLU A 70 -6.434 -25.158 0.184 1.00 8.73 C ATOM 850 CG GLU A 70 -6.022 -24.374 1.405 1.00 8.06 C ATOM 851 CD GLU A 70 -7.212 -23.938 2.246 1.00 7.11 C ATOM 852 OE1 GLU A 70 -8.269 -24.604 2.155 1.00 8.81 O ATOM 853 OE2 GLU A 70 -7.094 -22.945 2.992 1.00 11.01 O ATOM 854 H AGLU A 70 -4.741 -27.008 0.292 0.03 9.78 H ATOM 855 D BGLU A 70 -4.741 -27.008 0.292 0.97 9.78 D ATOM 856 HA GLU A 70 -7.451 -26.652 1.325 1.00 11.37 H ATOM 857 HB2 GLU A 70 -5.604 -25.125 -0.520 1.00 11.03 H ATOM 858 HB3 GLU A 70 -7.301 -24.667 -0.262 1.00 8.74 H ATOM 859 HG2 GLU A 70 -5.380 -25.005 2.021 1.00 10.09 H ATOM 860 HG3 GLU A 70 -5.482 -23.486 1.073 1.00 11.72 H ATOM 861 N ASP A 71 -8.873 -27.078 -0.657 1.00 8.61 N ATOM 862 CA ASP A 71 -9.722 -27.082 -1.835 1.00 9.69 C ATOM 863 C ASP A 71 -10.539 -25.793 -1.840 1.00 11.53 C ATOM 864 O ASP A 71 -10.224 -24.865 -2.592 1.00 10.17 O ATOM 865 CB ASP A 71 -10.616 -28.326 -1.898 1.00 7.90 C ATOM 866 CG ASP A 71 -11.324 -28.451 -3.234 1.00 12.09 C ATOM 867 OD1 ASP A 71 -10.659 -28.241 -4.270 1.00 12.73 O ATOM 868 OD2 ASP A 71 -12.542 -28.735 -3.263 1.00 13.01 O ATOM 869 H AASP A 71 -9.387 -26.970 0.216 0.06 10.53 H ATOM 870 D BASP A 71 -9.387 -26.970 0.216 0.94 10.53 D ATOM 871 HA ASP A 71 -9.089 -27.060 -2.719 1.00 11.94 H ATOM 872 HB2 ASP A 71 -9.999 -29.220 -1.782 1.00 13.89 H ATOM 873 HB3 ASP A 71 -11.360 -28.288 -1.103 1.00 7.71 H ATOM 874 N ASN A 72 -11.562 -25.704 -0.993 1.00 7.68 N ATOM 875 CA ASN A 72 -12.299 -24.457 -0.831 1.00 9.54 C ATOM 876 C ASN A 72 -11.505 -23.565 0.117 1.00 9.44 C ATOM 877 O ASN A 72 -11.348 -23.881 1.297 1.00 9.03 O ATOM 878 CB ASN A 72 -13.705 -24.711 -0.301 1.00 8.95 C ATOM 879 CG ASN A 72 -14.563 -23.467 -0.339 1.00 12.22 C ATOM 880 OD1 ASN A 72 -14.114 -22.387 0.046 1.00 10.24 O ATOM 881 ND2 ASN A 72 -15.802 -23.604 -0.810 1.00 15.13 N ATOM 882 H AASN A 72 -11.891 -26.454 -0.387 0.00 10.45 H ATOM 883 D BASN A 72 -11.891 -26.454 -0.387 1.00 10.45 D ATOM 884 HA ASN A 72 -12.388 -23.976 -1.801 1.00 8.52 H ATOM 885 HB2 ASN A 72 -14.182 -25.488 -0.896 1.00 11.43 H ATOM 886 HB3 ASN A 72 -13.632 -25.023 0.741 1.00 12.81 H ATOM 887 HD21AASN A 72 -16.140 -24.518 -1.104 0.16 15.40 H ATOM 888 DD21BASN A 72 -16.140 -24.518 -1.104 0.84 15.40 D ATOM 889 HD22AASN A 72 -16.413 -22.794 -0.867 0.16 12.02 H ATOM 890 DD22BASN A 72 -16.413 -22.794 -0.867 0.84 12.02 D ATOM 891 N ILE A 73 -10.985 -22.457 -0.412 1.00 7.62 N ATOM 892 CA ILE A 73 -10.141 -21.551 0.376 1.00 7.79 C ATOM 893 C ILE A 73 -10.923 -20.691 1.354 1.00 9.83 C ATOM 894 O ILE A 73 -10.313 -19.947 2.135 1.00 9.97 O ATOM 895 CB ILE A 73 -9.245 -20.658 -0.507 1.00 13.53 C ATOM 896 CG1 ILE A 73 -10.081 -19.966 -1.577 1.00 11.35 C ATOM 897 CG2 ILE A 73 -8.115 -21.496 -1.109 1.00 11.85 C ATOM 898 CD1 ILE A 73 -9.348 -18.868 -2.312 1.00 15.66 C ATOM 899 H AILE A 73 -11.161 -22.189 -1.381 0.00 9.45 H ATOM 900 D BILE A 73 -11.161 -22.189 -1.381 1.00 9.45 D ATOM 901 HA ILE A 73 -9.472 -22.174 0.968 1.00 12.06 H ATOM 902 HB ILE A 73 -8.808 -19.879 0.118 1.00 8.32 H ATOM 903 HG12 ILE A 73 -10.369 -20.706 -2.318 1.00 12.52 H ATOM 904 HG13 ILE A 73 -10.976 -19.546 -1.119 1.00 16.26 H ATOM 905 HG21 ILE A 73 -7.423 -20.853 -1.652 1.00 14.88 H ATOM 906 HG22 ILE A 73 -7.596 -22.001 -0.293 1.00 12.48 H ATOM 907 HG23 ILE A 73 -8.544 -22.238 -1.783 1.00 12.73 H ATOM 908 HD11 ILE A 73 -10.047 -18.346 -2.961 1.00 18.82 H ATOM 909 HD12 ILE A 73 -8.924 -18.180 -1.582 1.00 15.17 H ATOM 910 HD13 ILE A 73 -8.552 -19.316 -2.907 1.00 16.60 H ATOM 911 N ASN A 74 -12.251 -20.770 1.340 1.00 9.14 N ATOM 912 CA ASN A 74 -13.097 -20.007 2.251 1.00 9.01 C ATOM 913 C ASN A 74 -13.793 -20.864 3.294 1.00 12.99 C ATOM 914 O ASN A 74 -14.563 -20.329 4.100 1.00 10.66 O ATOM 915 CB ASN A 74 -14.159 -19.213 1.475 1.00 9.76 C ATOM 916 CG ASN A 74 -13.627 -17.897 0.940 1.00 11.05 C ATOM 917 OD1 ASN A 74 -12.862 -17.215 1.623 1.00 13.31 O ATOM 918 ND2 ASN A 74 -14.043 -17.521 -0.267 1.00 15.32 N ATOM 919 H AASN A 74 -12.756 -21.360 0.689 0.00 9.77 H ATOM 920 D BASN A 74 -12.756 -21.360 0.689 1.00 9.77 D ATOM 921 HA ASN A 74 -12.486 -19.299 2.811 1.00 10.46 H ATOM 922 HB2 ASN A 74 -14.539 -19.833 0.662 1.00 11.08 H ATOM 923 HB3 ASN A 74 -14.966 -18.958 2.168 1.00 13.21 H ATOM 924 HD21AASN A 74 -13.730 -16.636 -0.646 0.05 16.72 H ATOM 925 DD21BASN A 74 -13.730 -16.636 -0.646 0.95 16.72 D ATOM 926 HD22AASN A 74 -14.648 -18.125 -0.826 0.02 19.29 H ATOM 927 DD22BASN A 74 -14.648 -18.125 -0.826 0.98 19.29 D ATOM 928 N VAL A 75 -13.548 -22.169 3.307 1.00 9.08 N ATOM 929 CA VAL A 75 -14.198 -23.082 4.235 1.00 10.43 C ATOM 930 C VAL A 75 -13.126 -23.997 4.789 1.00 12.50 C ATOM 931 O VAL A 75 -12.285 -24.501 4.039 1.00 9.32 O ATOM 932 CB VAL A 75 -15.290 -23.914 3.527 1.00 12.06 C ATOM 933 CG1 VAL A 75 -15.897 -24.927 4.480 1.00 10.10 C ATOM 934 CG2 VAL A 75 -16.366 -23.002 2.938 1.00 14.06 C ATOM 935 H AVAL A 75 -12.882 -22.628 2.691 0.06 13.84 H ATOM 936 D BVAL A 75 -12.882 -22.628 2.691 0.94 13.84 D ATOM 937 HA VAL A 75 -14.649 -22.521 5.050 1.00 14.67 H ATOM 938 HB VAL A 75 -14.839 -24.465 2.701 1.00 14.53 H ATOM 939 HG11 VAL A 75 -16.153 -24.436 5.418 1.00 15.71 H ATOM 940 HG12 VAL A 75 -16.792 -25.359 4.031 1.00 20.35 H ATOM 941 HG13 VAL A 75 -15.165 -25.708 4.678 1.00 14.37 H ATOM 942 HG21 VAL A 75 -17.151 -23.613 2.494 1.00 14.06 H ATOM 943 HG22 VAL A 75 -16.792 -22.370 3.718 1.00 16.58 H ATOM 944 HG23 VAL A 75 -15.900 -22.385 2.173 1.00 12.26 H ATOM 945 N VAL A 76 -13.156 -24.222 6.098 1.00 11.88 N ATOM 946 CA VAL A 76 -12.262 -25.197 6.718 1.00 12.96 C ATOM 947 C VAL A 76 -12.885 -26.576 6.519 1.00 12.13 C ATOM 948 O VAL A 76 -13.952 -26.871 7.063 1.00 16.84 O ATOM 949 CB VAL A 76 -12.028 -24.894 8.201 1.00 13.15 C ATOM 950 CG1 VAL A 76 -11.220 -26.015 8.844 1.00 14.77 C ATOM 951 CG2 VAL A 76 -11.289 -23.564 8.335 1.00 16.36 C ATOM 952 H AVAL A 76 -13.814 -23.771 6.731 0.00 11.29 H ATOM 953 D BVAL A 76 -13.814 -23.771 6.731 1.00 11.29 D ATOM 954 HA VAL A 76 -11.294 -25.179 6.219 1.00 14.10 H ATOM 955 HB VAL A 76 -12.987 -24.825 8.718 1.00 15.74 H ATOM 956 HG11 VAL A 76 -10.345 -26.203 8.222 1.00 15.90 H ATOM 957 HG12 VAL A 76 -10.909 -25.700 9.840 1.00 16.86 H ATOM 958 HG13 VAL A 76 -11.830 -26.915 8.916 1.00 18.17 H ATOM 959 HG21 VAL A 76 -11.948 -22.741 8.057 1.00 15.80 H ATOM 960 HG22 VAL A 76 -10.962 -23.442 9.366 1.00 14.89 H ATOM 961 HG23 VAL A 76 -10.424 -23.572 7.668 1.00 16.83 H ATOM 962 N GLU A 77 -12.225 -27.414 5.718 1.00 12.71 N ATOM 963 CA GLU A 77 -12.766 -28.709 5.325 1.00 11.27 C ATOM 964 C GLU A 77 -12.098 -29.898 6.003 1.00 14.19 C ATOM 965 O GLU A 77 -12.635 -31.007 5.923 1.00 16.88 O ATOM 966 CB GLU A 77 -12.704 -28.880 3.797 1.00 11.30 C ATOM 967 CG GLU A 77 -13.550 -27.859 3.062 1.00 13.44 C ATOM 968 CD GLU A 77 -13.529 -28.052 1.559 1.00 16.03 C ATOM 969 OE1 GLU A 77 -12.445 -27.905 0.954 1.00 13.71 O ATOM 970 OE2 GLU A 77 -14.593 -28.341 0.976 1.00 18.92 O ATOM 971 H AGLU A 77 -11.303 -27.206 5.329 0.04 12.83 H ATOM 972 D BGLU A 77 -11.303 -27.206 5.329 0.96 12.83 D ATOM 973 HA GLU A 77 -13.812 -28.751 5.623 1.00 15.49 H ATOM 974 HB2 GLU A 77 -11.675 -28.758 3.462 1.00 13.91 H ATOM 975 HB3 GLU A 77 -13.061 -29.877 3.520 1.00 15.53 H ATOM 976 HG2 GLU A 77 -14.576 -27.958 3.412 1.00 18.33 H ATOM 977 HG3 GLU A 77 -13.168 -26.862 3.287 1.00 14.82 H ATOM 978 N GLY A 78 -10.963 -29.704 6.670 1.00 14.54 N ATOM 979 CA GLY A 78 -10.391 -30.716 7.542 1.00 16.21 C ATOM 980 C GLY A 78 -8.998 -31.196 7.183 1.00 17.87 C ATOM 981 O GLY A 78 -8.348 -31.837 8.021 1.00 21.13 O ATOM 982 H AGLY A 78 -10.453 -28.817 6.673 0.08 13.22 H ATOM 983 D BGLY A 78 -10.453 -28.817 6.673 0.92 13.22 D ATOM 984 HA2 GLY A 78 -10.348 -30.324 8.555 1.00 21.63 H ATOM 985 HA3 GLY A 78 -11.057 -31.577 7.544 1.00 18.46 H ATOM 986 N ASN A 79 -8.510 -30.926 5.975 1.00 13.49 N ATOM 987 CA ASN A 79 -7.194 -31.399 5.554 1.00 10.82 C ATOM 988 C ASN A 79 -6.173 -30.275 5.417 1.00 12.83 C ATOM 989 O ASN A 79 -5.065 -30.517 4.925 1.00 16.01 O ATOM 990 CB ASN A 79 -7.298 -32.191 4.244 1.00 12.90 C ATOM 991 CG ASN A 79 -8.044 -33.505 4.414 1.00 19.84 C ATOM 992 OD1 ASN A 79 -7.539 -34.445 5.028 1.00 27.33 O ATOM 993 ND2 ASN A 79 -9.249 -33.577 3.859 1.00 24.41 N ATOM 994 H AASN A 79 -9.015 -30.386 5.270 0.08 14.74 H ATOM 995 D BASN A 79 -9.015 -30.386 5.270 0.92 14.74 D ATOM 996 HA ASN A 79 -6.809 -32.087 6.308 1.00 19.62 H ATOM 997 HB2 ASN A 79 -7.831 -31.597 3.504 1.00 17.89 H ATOM 998 HB3 ASN A 79 -6.295 -32.416 3.885 1.00 17.73 H ATOM 999 HD21AASN A 79 -9.893 -34.314 4.142 0.34 26.16 H ATOM 1000 DD21BASN A 79 -9.893 -34.314 4.142 0.66 26.16 D ATOM 1001 HD22AASN A 79 -9.533 -32.891 3.154 0.10 24.72 H ATOM 1002 DD22BASN A 79 -9.533 -32.891 3.154 0.90 24.72 D ATOM 1003 N GLU A 80 -6.515 -29.057 5.837 1.00 13.65 N ATOM 1004 CA GLU A 80 -5.605 -27.930 5.713 1.00 12.77 C ATOM 1005 C GLU A 80 -4.449 -28.015 6.706 1.00 14.97 C ATOM 1006 O GLU A 80 -4.572 -28.561 7.807 1.00 14.51 O ATOM 1007 CB GLU A 80 -6.338 -26.615 5.981 1.00 14.11 C ATOM 1008 CG GLU A 80 -7.450 -26.281 5.003 1.00 10.73 C ATOM 1009 CD GLU A 80 -8.797 -26.808 5.432 1.00 12.27 C ATOM 1010 OE1 GLU A 80 -8.854 -27.649 6.343 1.00 12.62 O ATOM 1011 OE2 GLU A 80 -9.808 -26.362 4.848 1.00 10.11 O ATOM 1012 H AGLU A 80 -7.416 -28.808 6.249 0.11 11.64 H ATOM 1013 D BGLU A 80 -7.416 -28.808 6.249 0.89 11.64 D ATOM 1014 HA GLU A 80 -5.226 -27.913 4.693 1.00 12.19 H ATOM 1015 HB2 GLU A 80 -6.766 -26.634 6.985 1.00 15.68 H ATOM 1016 HB3 GLU A 80 -5.605 -25.816 5.904 1.00 10.65 H ATOM 1017 HG2 GLU A 80 -7.557 -25.200 4.934 1.00 12.45 H ATOM 1018 HG3 GLU A 80 -7.194 -26.673 4.018 1.00 12.36 H ATOM 1019 N GLN A 81 -3.320 -27.437 6.301 1.00 12.53 N ATOM 1020 CA GLN A 81 -2.214 -27.110 7.190 1.00 9.61 C ATOM 1021 C GLN A 81 -1.823 -25.671 6.894 1.00 10.51 C ATOM 1022 O GLN A 81 -1.554 -25.329 5.739 1.00 9.53 O ATOM 1023 CB GLN A 81 -1.011 -28.031 6.968 1.00 12.21 C ATOM 1024 CG GLN A 81 -1.278 -29.486 7.285 1.00 14.62 C ATOM 1025 CD GLN A 81 -0.093 -30.383 6.946 1.00 13.43 C ATOM 1026 OE1 GLN A 81 1.049 -30.072 7.277 1.00 17.91 O ATOM 1027 NE2 GLN A 81 -0.364 -31.494 6.285 1.00 16.31 N ATOM 1028 H AGLN A 81 -3.142 -27.168 5.335 0.12 9.77 H ATOM 1029 D BGLN A 81 -3.142 -27.168 5.335 0.88 9.77 D ATOM 1030 HA GLN A 81 -2.526 -27.191 8.228 1.00 9.65 H ATOM 1031 HB2 GLN A 81 -0.706 -27.973 5.927 1.00 13.05 H ATOM 1032 HB3 GLN A 81 -0.193 -27.702 7.607 1.00 18.80 H ATOM 1033 HG2 GLN A 81 -1.487 -29.583 8.352 1.00 15.01 H ATOM 1034 HG3 GLN A 81 -2.142 -29.815 6.711 1.00 14.58 H ATOM 1035 HE21AGLN A 81 -1.332 -31.716 6.045 0.16 18.95 H ATOM 1036 DE21BGLN A 81 -1.332 -31.716 6.045 0.84 18.95 D ATOM 1037 HE22AGLN A 81 0.386 -32.127 6.021 0.07 16.34 H ATOM 1038 DE22BGLN A 81 0.386 -32.127 6.021 0.93 16.34 D ATOM 1039 N PHE A 82 -1.811 -24.832 7.925 1.00 9.52 N ATOM 1040 CA PHE A 82 -1.470 -23.419 7.795 1.00 8.97 C ATOM 1041 C PHE A 82 -0.111 -23.225 8.461 1.00 12.22 C ATOM 1042 O PHE A 82 0.018 -23.438 9.671 1.00 14.87 O ATOM 1043 CB PHE A 82 -2.494 -22.512 8.489 1.00 12.96 C ATOM 1044 CG PHE A 82 -3.903 -22.586 7.937 1.00 10.50 C ATOM 1045 CD1 PHE A 82 -4.179 -23.131 6.688 1.00 12.94 C ATOM 1046 CD2 PHE A 82 -4.958 -22.073 8.677 1.00 17.62 C ATOM 1047 CE1 PHE A 82 -5.499 -23.172 6.195 1.00 11.97 C ATOM 1048 CE2 PHE A 82 -6.261 -22.104 8.193 1.00 16.26 C ATOM 1049 CZ PHE A 82 -6.534 -22.662 6.954 1.00 10.58 C ATOM 1050 H APHE A 82 -2.009 -25.114 8.885 0.11 10.10 H ATOM 1051 D BPHE A 82 -2.009 -25.114 8.885 0.89 10.10 D ATOM 1052 HA PHE A 82 -1.381 -23.141 6.746 1.00 8.59 H ATOM 1053 HB2 PHE A 82 -2.523 -22.768 9.548 1.00 15.76 H ATOM 1054 HB3 PHE A 82 -2.168 -21.477 8.384 1.00 13.43 H ATOM 1055 HD1 PHE A 82 -3.374 -23.532 6.092 1.00 17.20 H ATOM 1056 HD2 PHE A 82 -4.760 -21.639 9.647 1.00 20.53 H ATOM 1057 HE1 PHE A 82 -5.711 -23.598 5.222 1.00 13.78 H ATOM 1058 HE2 PHE A 82 -7.061 -21.707 8.796 1.00 17.17 H ATOM 1059 HZ PHE A 82 -7.552 -22.685 6.588 1.00 17.12 H ATOM 1060 N ILE A 83 0.900 -22.830 7.682 1.00 8.24 N ATOM 1061 CA ILE A 83 2.254 -22.670 8.201 1.00 9.12 C ATOM 1062 C ILE A 83 2.819 -21.335 7.733 1.00 10.48 C ATOM 1063 O ILE A 83 2.832 -21.047 6.533 1.00 10.60 O ATOM 1064 CB ILE A 83 3.161 -23.823 7.739 1.00 11.47 C ATOM 1065 CG1 ILE A 83 2.510 -25.165 8.069 1.00 13.13 C ATOM 1066 CG2 ILE A 83 4.540 -23.702 8.375 1.00 13.75 C ATOM 1067 CD1 ILE A 83 3.238 -26.376 7.539 1.00 17.35 C ATOM 1068 H AILE A 83 0.804 -22.645 6.684 0.90 9.43 H ATOM 1069 D BILE A 83 0.804 -22.645 6.684 0.10 9.43 D ATOM 1070 HA ILE A 83 2.222 -22.665 9.289 1.00 11.75 H ATOM 1071 HB ILE A 83 3.265 -23.744 6.659 1.00 13.73 H ATOM 1072 HG13 ILE A 83 1.500 -25.178 7.664 1.00 14.75 H ATOM 1073 HG21 ILE A 83 5.141 -24.561 8.082 1.00 15.95 H ATOM 1074 HG22 ILE A 83 5.018 -22.786 8.029 1.00 14.51 H ATOM 1075 HG23 ILE A 83 4.447 -23.690 9.459 1.00 17.59 H ATOM 1076 HD11 ILE A 83 2.602 -27.250 7.672 1.00 20.31 H ATOM 1077 HD12 ILE A 83 3.452 -26.233 6.482 1.00 15.09 H ATOM 1078 HD13 ILE A 83 4.170 -26.509 8.086 1.00 16.18 H ATOM 1079 N SER A 84 3.313 -20.533 8.673 1.00 11.86 N ATOM 1080 CA SER A 84 3.928 -19.266 8.308 1.00 10.67 C ATOM 1081 C SER A 84 5.279 -19.483 7.642 1.00 11.71 C ATOM 1082 O SER A 84 5.990 -20.452 7.919 1.00 13.24 O ATOM 1083 CB SER A 84 4.118 -18.372 9.533 1.00 16.75 C ATOM 1084 OG SER A 84 2.865 -17.906 10.012 1.00 20.88 O ATOM 1085 H ASER A 84 3.307 -20.740 9.672 0.00 13.73 H ATOM 1086 D BSER A 84 3.307 -20.740 9.672 1.00 13.73 D ATOM 1087 HA SER A 84 3.278 -18.747 7.607 1.00 15.61 H ATOM 1088 HB3 SER A 84 4.719 -17.510 9.239 1.00 22.37 H ATOM 1089 N ALA A 85 5.618 -18.564 6.745 1.00 12.58 N ATOM 1090 CA ALA A 85 6.939 -18.530 6.136 1.00 11.97 C ATOM 1091 C ALA A 85 7.965 -17.936 7.093 1.00 12.09 C ATOM 1092 O ALA A 85 7.695 -16.956 7.791 1.00 16.64 O ATOM 1093 CB ALA A 85 6.886 -17.679 4.870 1.00 14.86 C ATOM 1094 H AALA A 85 4.978 -17.858 6.392 0.08 11.26 H ATOM 1095 D BALA A 85 4.978 -17.858 6.392 0.92 11.26 D ATOM 1096 HA ALA A 85 7.260 -19.538 5.873 1.00 12.57 H ATOM 1097 HB1 ALA A 85 6.573 -16.669 5.138 1.00 14.83 H ATOM 1098 HB2 ALA A 85 7.862 -17.662 4.386 1.00 12.68 H ATOM 1099 HB3 ALA A 85 6.150 -18.114 4.201 1.00 15.24 H ATOM 1100 N SER A 86 9.160 -18.525 7.096 1.00 11.20 N ATOM 1101 CA SER A 86 10.272 -18.017 7.895 1.00 9.13 C ATOM 1102 C SER A 86 11.283 -17.230 7.079 1.00 10.13 C ATOM 1103 O SER A 86 12.020 -16.419 7.645 1.00 14.20 O ATOM 1104 CB SER A 86 11.001 -19.172 8.601 1.00 15.76 C ATOM 1105 OG SER A 86 11.619 -20.057 7.684 1.00 23.24 O ATOM 1106 H ASER A 86 9.382 -19.350 6.541 0.05 12.62 H ATOM 1107 D BSER A 86 9.382 -19.350 6.541 0.95 12.62 D ATOM 1108 HA SER A 86 9.882 -17.359 8.671 1.00 12.79 H ATOM 1109 HB3 SER A 86 10.314 -19.732 9.235 1.00 15.60 H ATOM 1110 N LYS A 87 11.344 -17.460 5.772 1.00 10.65 N ATOM 1111 CA LYS A 87 12.288 -16.765 4.916 1.00 9.83 C ATOM 1112 C LYS A 87 11.753 -16.858 3.494 1.00 11.10 C ATOM 1113 O LYS A 87 11.131 -17.858 3.127 1.00 10.76 O ATOM 1114 CB LYS A 87 13.672 -17.423 5.057 1.00 14.13 C ATOM 1115 CG LYS A 87 14.765 -16.936 4.129 1.00 23.78 C ATOM 1116 CD LYS A 87 16.047 -17.752 4.336 1.00 28.29 C ATOM 1117 CE LYS A 87 17.097 -17.025 5.171 1.00 29.68 C ATOM 1118 NZ LYS A 87 18.376 -17.809 5.338 1.00 24.93 N ATOM 1119 H ALYS A 87 10.759 -18.147 5.290 0.09 12.22 H ATOM 1120 D BLYS A 87 10.759 -18.147 5.290 0.91 12.22 D ATOM 1121 HA LYS A 87 12.357 -15.718 5.219 1.00 11.76 H ATOM 1122 HB2 LYS A 87 14.019 -17.271 6.081 1.00 19.70 H ATOM 1123 HG2 LYS A 87 14.450 -17.058 3.094 1.00 22.26 H ATOM 1124 HG3 LYS A 87 14.974 -15.891 4.342 1.00 18.89 H ATOM 1125 HZ1ALYS A 87 18.749 -18.095 4.410 0.23 21.88 H ATOM 1126 DZ1BLYS A 87 18.749 -18.095 4.410 0.77 21.88 D ATOM 1127 HZ2ALYS A 87 19.089 -17.220 5.811 0.35 19.66 H ATOM 1128 DZ2BLYS A 87 19.089 -17.220 5.811 0.65 19.66 D ATOM 1129 HZ3ALYS A 87 18.207 -18.666 5.911 0.16 20.70 H ATOM 1130 DZ3BLYS A 87 18.207 -18.666 5.911 0.84 20.70 D ATOM 1131 N SER A 88 11.956 -15.800 2.720 1.00 9.30 N ATOM 1132 CA SER A 88 11.673 -15.807 1.297 1.00 12.52 C ATOM 1133 C SER A 88 12.939 -15.403 0.567 1.00 11.91 C ATOM 1134 O SER A 88 13.661 -14.510 1.017 1.00 9.94 O ATOM 1135 CB SER A 88 10.557 -14.829 0.938 1.00 14.65 C ATOM 1136 OG SER A 88 9.328 -15.189 1.553 1.00 22.00 O ATOM 1137 H ASER A 88 12.321 -14.915 3.065 0.00 12.82 H ATOM 1138 D BSER A 88 12.321 -14.915 3.065 1.00 12.82 D ATOM 1139 HA SER A 88 11.390 -16.815 0.993 1.00 8.68 H ATOM 1140 HB3 SER A 88 10.443 -14.787 -0.142 1.00 16.71 H ATOM 1141 HG ASER A 88 8.987 -14.438 2.086 0.36 15.37 H ATOM 1142 DG BSER A 88 8.987 -14.438 2.086 0.64 15.37 D ATOM 1143 N ILE A 89 13.199 -16.063 -0.556 1.00 7.56 N ATOM 1144 CA ILE A 89 14.395 -15.818 -1.361 1.00 8.54 C ATOM 1145 C ILE A 89 13.967 -15.618 -2.808 1.00 9.71 C ATOM 1146 O ILE A 89 13.622 -16.584 -3.499 1.00 8.87 O ATOM 1147 CB ILE A 89 15.411 -16.966 -1.254 1.00 10.20 C ATOM 1148 CG1 ILE A 89 15.805 -17.184 0.211 1.00 11.99 C ATOM 1149 CG2 ILE A 89 16.637 -16.661 -2.104 1.00 10.29 C ATOM 1150 CD1 ILE A 89 16.608 -18.451 0.462 1.00 17.35 C ATOM 1151 H AILE A 89 12.585 -16.790 -0.921 0.96 8.36 H ATOM 1152 D BILE A 89 12.585 -16.790 -0.921 0.04 8.36 D ATOM 1153 HA ILE A 89 14.880 -14.897 -1.027 1.00 11.08 H ATOM 1154 HB ILE A 89 14.940 -17.876 -1.619 1.00 14.49 H ATOM 1155 HG12 ILE A 89 16.408 -16.335 0.535 1.00 19.95 H ATOM 1156 HG13 ILE A 89 14.900 -17.234 0.815 1.00 14.97 H ATOM 1157 HG21 ILE A 89 17.293 -17.529 -2.111 1.00 11.84 H ATOM 1158 HG22 ILE A 89 16.324 -16.407 -3.114 1.00 9.35 H ATOM 1159 HG23 ILE A 89 17.182 -15.825 -1.667 1.00 12.38 H ATOM 1160 HD11 ILE A 89 16.747 -18.602 1.533 1.00 16.73 H ATOM 1161 HD12 ILE A 89 16.075 -19.303 0.042 1.00 14.78 H ATOM 1162 HD13 ILE A 89 17.581 -18.357 -0.019 1.00 14.60 H ATOM 1163 N VAL A 90 14.007 -14.371 -3.271 1.00 7.82 N ATOM 1164 CA VAL A 90 13.719 -14.055 -4.665 1.00 8.04 C ATOM 1165 C VAL A 90 14.972 -14.335 -5.486 1.00 8.26 C ATOM 1166 O VAL A 90 16.099 -14.112 -5.024 1.00 10.11 O ATOM 1167 CB VAL A 90 13.271 -12.579 -4.776 1.00 8.87 C ATOM 1168 CG1 VAL A 90 13.269 -12.085 -6.219 1.00 8.45 C ATOM 1169 CG2 VAL A 90 11.883 -12.379 -4.153 1.00 9.13 C ATOM 1170 H AVAL A 90 14.261 -13.568 -2.697 0.00 10.53 H ATOM 1171 D BVAL A 90 14.261 -13.568 -2.697 1.00 10.53 D ATOM 1172 HA VAL A 90 12.914 -14.703 -5.027 1.00 7.70 H ATOM 1173 HB VAL A 90 13.957 -11.946 -4.212 1.00 8.86 H ATOM 1174 HG11 VAL A 90 12.957 -11.042 -6.210 1.00 14.55 H ATOM 1175 HG12 VAL A 90 14.274 -12.141 -6.631 1.00 14.05 H ATOM 1176 HG13 VAL A 90 12.583 -12.676 -6.825 1.00 10.87 H ATOM 1177 HG21 VAL A 90 11.139 -12.974 -4.684 1.00 12.94 H ATOM 1178 HG22 VAL A 90 11.914 -12.682 -3.107 1.00 12.97 H ATOM 1179 HG23 VAL A 90 11.625 -11.323 -4.226 1.00 15.22 H ATOM 1180 N HIS A 91 14.792 -14.830 -6.702 1.00 6.97 N ATOM 1181 CA HIS A 91 15.943 -15.164 -7.523 1.00 9.79 C ATOM 1182 C HIS A 91 16.882 -13.961 -7.634 1.00 8.74 C ATOM 1183 O HIS A 91 16.416 -12.828 -7.805 1.00 7.84 O ATOM 1184 CB HIS A 91 15.506 -15.586 -8.924 1.00 9.09 C ATOM 1185 CG HIS A 91 16.615 -16.208 -9.703 1.00 7.40 C ATOM 1186 ND1 HIS A 91 17.506 -15.475 -10.454 1.00 9.47 N ATOM 1187 CD2 HIS A 91 17.000 -17.500 -9.816 1.00 8.87 C ATOM 1188 CE1 HIS A 91 18.384 -16.292 -11.007 1.00 10.16 C ATOM 1189 NE2 HIS A 91 18.099 -17.527 -10.637 1.00 12.10 N ATOM 1190 H AHIS A 91 13.890 -15.016 -7.141 1.00 7.24 H ATOM 1191 D BHIS A 91 13.890 -15.016 -7.141 0.00 7.24 D ATOM 1192 HA HIS A 91 16.454 -16.001 -7.050 1.00 9.34 H ATOM 1193 HB2 HIS A 91 14.724 -16.329 -8.802 1.00 8.58 H ATOM 1194 HB3 HIS A 91 15.126 -14.729 -9.477 1.00 11.80 H ATOM 1195 HD2 HIS A 91 16.533 -18.353 -9.357 1.00 12.09 H ATOM 1196 HE1 HIS A 91 19.194 -16.006 -11.656 1.00 8.55 H ATOM 1197 HE2AHIS A 91 18.611 -18.369 -10.910 0.17 9.30 H ATOM 1198 DE2BHIS A 91 18.611 -18.369 -10.910 0.83 9.30 D ATOM 1199 N PRO A 92 18.206 -14.163 -7.568 1.00 9.73 N ATOM 1200 CA PRO A 92 19.121 -13.008 -7.574 1.00 11.94 C ATOM 1201 C PRO A 92 18.979 -12.105 -8.791 1.00 10.37 C ATOM 1202 O PRO A 92 19.222 -10.902 -8.684 1.00 10.40 O ATOM 1203 CB APRO A 92 20.510 -13.664 -7.486 0.73 12.17 C ATOM 1204 CB BPRO A 92 20.512 -13.656 -7.522 0.27 12.16 C ATOM 1205 CG APRO A 92 20.298 -15.097 -7.930 0.73 12.56 C ATOM 1206 CG BPRO A 92 20.292 -15.009 -6.955 0.27 10.17 C ATOM 1207 CD APRO A 92 18.939 -15.433 -7.398 0.73 10.36 C ATOM 1208 CD BPRO A 92 18.916 -15.437 -7.355 0.27 10.42 C ATOM 1209 HA PRO A 92 18.963 -12.408 -6.675 1.00 11.08 H ATOM 1210 HB2APRO A 92 21.209 -13.145 -8.139 0.73 10.97 H ATOM 1211 HB3APRO A 92 20.862 -13.651 -6.456 0.73 14.51 H ATOM 1212 HB3BPRO A 92 21.157 -13.069 -6.869 0.27 13.24 H ATOM 1213 HG2APRO A 92 20.310 -15.146 -9.019 0.73 11.02 H ATOM 1214 HG2BPRO A 92 21.026 -15.694 -7.380 0.27 12.12 H ATOM 1215 HG3APRO A 92 21.056 -15.757 -7.511 0.73 12.09 H ATOM 1216 HG3BPRO A 92 20.392 -14.969 -5.870 0.27 11.63 H ATOM 1217 HD2APRO A 92 18.498 -16.247 -7.969 0.73 10.68 H ATOM 1218 HD2BPRO A 92 18.952 -16.017 -8.277 0.27 11.00 H ATOM 1219 HD3APRO A 92 19.005 -15.690 -6.340 0.73 10.83 H ATOM 1220 HD3BPRO A 92 18.456 -16.001 -6.543 0.27 11.27 H ATOM 1221 N SER A 93 18.571 -12.647 -9.938 1.00 8.31 N ATOM 1222 CA SER A 93 18.530 -11.912 -11.195 1.00 7.54 C ATOM 1223 C SER A 93 17.106 -11.593 -11.638 1.00 6.10 C ATOM 1224 O SER A 93 16.885 -11.232 -12.798 1.00 9.00 O ATOM 1225 CB SER A 93 19.276 -12.695 -12.279 1.00 13.34 C ATOM 1226 OG SER A 93 20.638 -12.882 -11.909 1.00 14.52 O ATOM 1227 H ASER A 93 18.243 -13.600 -10.021 0.02 9.88 H ATOM 1228 D BSER A 93 18.243 -13.600 -10.021 0.98 9.88 D ATOM 1229 HA SER A 93 19.055 -10.968 -11.054 1.00 10.51 H ATOM 1230 HB2 SER A 93 18.797 -13.669 -12.397 1.00 13.37 H ATOM 1231 HB3 SER A 93 19.235 -12.141 -13.217 1.00 18.76 H ATOM 1232 HG ASER A 93 20.988 -13.714 -12.287 0.47 12.94 H ATOM 1233 DG BSER A 93 20.988 -13.714 -12.287 0.53 12.94 D ATOM 1234 N TYR A 94 16.130 -11.708 -10.741 1.00 8.52 N ATOM 1235 CA TYR A 94 14.765 -11.340 -11.085 1.00 7.59 C ATOM 1236 C TYR A 94 14.698 -9.897 -11.577 1.00 7.45 C ATOM 1237 O TYR A 94 15.225 -8.978 -10.944 1.00 8.42 O ATOM 1238 CB TYR A 94 13.852 -11.527 -9.872 1.00 8.77 C ATOM 1239 CG TYR A 94 12.442 -11.008 -10.078 1.00 8.80 C ATOM 1240 CD1 TYR A 94 11.667 -11.464 -11.133 1.00 7.72 C ATOM 1241 CD2 TYR A 94 11.893 -10.055 -9.226 1.00 7.21 C ATOM 1242 CE1 TYR A 94 10.376 -11.000 -11.340 1.00 9.95 C ATOM 1243 CE2 TYR A 94 10.600 -9.584 -9.423 1.00 8.10 C ATOM 1244 CZ TYR A 94 9.852 -10.055 -10.483 1.00 8.88 C ATOM 1245 OH TYR A 94 8.566 -9.611 -10.695 1.00 11.71 O ATOM 1246 H ATYR A 94 16.239 -12.043 -9.789 0.06 10.95 H ATOM 1247 D BTYR A 94 16.239 -12.043 -9.789 0.94 10.95 D ATOM 1248 HA TYR A 94 14.396 -11.983 -11.882 1.00 10.81 H ATOM 1249 HB2 TYR A 94 13.763 -12.592 -9.669 1.00 9.23 H ATOM 1250 HB3 TYR A 94 14.281 -11.026 -9.004 1.00 9.43 H ATOM 1251 HD1 TYR A 94 12.092 -12.203 -11.794 1.00 11.34 H ATOM 1252 HD2 TYR A 94 12.488 -9.689 -8.397 1.00 8.39 H ATOM 1253 HE1 TYR A 94 9.783 -11.368 -12.166 1.00 10.59 H ATOM 1254 HE2 TYR A 94 10.175 -8.847 -8.763 1.00 12.09 H ATOM 1255 HH ATYR A 94 8.328 -8.926 -10.041 0.03 11.86 H ATOM 1256 DH BTYR A 94 8.328 -8.926 -10.041 0.97 11.86 D ATOM 1257 N ASN A 95 14.034 -9.704 -12.714 1.00 8.83 N ATOM 1258 CA ASN A 95 13.796 -8.378 -13.286 1.00 9.15 C ATOM 1259 C ASN A 95 12.287 -8.161 -13.338 1.00 8.00 C ATOM 1260 O ASN A 95 11.583 -8.827 -14.104 1.00 12.07 O ATOM 1261 CB ASN A 95 14.416 -8.260 -14.677 1.00 9.49 C ATOM 1262 CG ASN A 95 14.194 -6.886 -15.304 1.00 14.30 C ATOM 1263 OD1 ASN A 95 13.126 -6.282 -15.160 1.00 17.29 O ATOM 1264 ND2 ASN A 95 15.206 -6.384 -16.001 1.00 20.03 N ATOM 1265 H AASN A 95 13.635 -10.460 -13.270 0.05 10.36 H ATOM 1266 D BASN A 95 13.635 -10.460 -13.270 0.95 10.36 D ATOM 1267 HA ASN A 95 14.247 -7.627 -12.637 1.00 11.69 H ATOM 1268 HB2 ASN A 95 15.489 -8.436 -14.603 1.00 14.48 H ATOM 1269 HB3 ASN A 95 13.953 -9.001 -15.330 1.00 9.71 H ATOM 1270 HD21AASN A 95 15.126 -5.431 -16.365 0.34 15.84 H ATOM 1271 DD21BASN A 95 15.126 -5.431 -16.365 0.66 15.84 D ATOM 1272 HD22AASN A 95 16.045 -6.934 -16.170 0.36 14.34 H ATOM 1273 DD22BASN A 95 16.045 -6.934 -16.170 0.64 14.34 D ATOM 1274 N SER A 96 11.790 -7.239 -12.512 1.00 8.40 N ATOM 1275 CA SER A 96 10.353 -7.019 -12.416 1.00 9.84 C ATOM 1276 C SER A 96 9.779 -6.328 -13.639 1.00 13.21 C ATOM 1277 O SER A 96 8.560 -6.357 -13.837 1.00 14.77 O ATOM 1278 CB SER A 96 10.007 -6.189 -11.176 1.00 14.68 C ATOM 1279 OG SER A 96 10.479 -4.853 -11.298 1.00 14.55 O ATOM 1280 H ASER A 96 12.354 -6.689 -11.875 0.00 11.56 H ATOM 1281 D BSER A 96 12.354 -6.689 -11.875 1.00 11.56 D ATOM 1282 HA SER A 96 9.874 -7.990 -12.326 1.00 9.72 H ATOM 1283 HB2 SER A 96 8.922 -6.168 -11.077 1.00 19.62 H ATOM 1284 HB3 SER A 96 10.448 -6.651 -10.296 1.00 13.60 H ATOM 1285 N ASN A 97 10.619 -5.714 -14.466 1.00 7.80 N ATOM 1286 CA ASN A 97 10.100 -5.057 -15.658 1.00 10.18 C ATOM 1287 C ASN A 97 9.853 -6.052 -16.782 1.00 9.89 C ATOM 1288 O ASN A 97 8.832 -5.968 -17.471 1.00 14.90 O ATOM 1289 CB ASN A 97 11.031 -3.933 -16.096 1.00 13.19 C ATOM 1290 CG ASN A 97 11.002 -2.762 -15.134 1.00 14.82 C ATOM 1291 OD1 ASN A 97 9.954 -2.437 -14.571 1.00 17.46 O ATOM 1292 ND2 ASN A 97 12.147 -2.128 -14.940 1.00 17.24 N ATOM 1293 H AASN A 97 11.633 -5.671 -14.348 0.02 13.23 H ATOM 1294 D BASN A 97 11.633 -5.671 -14.348 0.98 13.23 D ATOM 1295 HA ASN A 97 9.150 -4.585 -15.412 1.00 13.33 H ATOM 1296 HB2 ASN A 97 12.052 -4.308 -16.155 1.00 12.97 H ATOM 1297 HB3 ASN A 97 10.699 -3.570 -17.065 1.00 13.10 H ATOM 1298 HD21AASN A 97 12.186 -1.320 -14.319 0.38 18.87 H ATOM 1299 DD21BASN A 97 12.186 -1.320 -14.319 0.62 18.87 D ATOM 1300 HD22AASN A 97 12.986 -2.451 -15.424 0.12 15.93 H ATOM 1301 DD22BASN A 97 12.986 -2.451 -15.424 0.88 15.93 D ATOM 1302 N THR A 98 10.758 -7.011 -16.973 1.00 10.73 N ATOM 1303 CA THR A 98 10.600 -8.008 -18.025 1.00 9.87 C ATOM 1304 C THR A 98 10.022 -9.323 -17.526 1.00 9.01 C ATOM 1305 O THR A 98 9.545 -10.121 -18.338 1.00 14.61 O ATOM 1306 CB THR A 98 11.956 -8.289 -18.682 1.00 16.13 C ATOM 1307 OG1 THR A 98 12.839 -8.847 -17.704 1.00 16.19 O ATOM 1308 CG2 THR A 98 12.566 -7.005 -19.242 1.00 14.20 C ATOM 1309 H ATHR A 98 11.611 -7.113 -16.423 0.05 11.97 H ATOM 1310 D BTHR A 98 11.611 -7.113 -16.423 0.95 11.97 D ATOM 1311 HA THR A 98 9.942 -7.627 -18.804 1.00 13.74 H ATOM 1312 HB THR A 98 11.827 -8.986 -19.513 1.00 12.62 H ATOM 1313 HG1ATHR A 98 13.731 -8.930 -18.077 0.11 13.95 H ATOM 1314 DG1BTHR A 98 13.731 -8.930 -18.077 0.89 13.95 D ATOM 1315 HG21 THR A 98 12.711 -6.282 -18.437 1.00 15.68 H ATOM 1316 HG22 THR A 98 13.532 -7.213 -19.703 1.00 19.90 H ATOM 1317 HG23 THR A 98 11.917 -6.568 -20.002 1.00 18.12 H ATOM 1318 N LEU A 99 10.027 -9.539 -16.210 1.00 10.21 N ATOM 1319 CA LEU A 99 9.653 -10.799 -15.575 1.00 9.81 C ATOM 1320 C LEU A 99 10.620 -11.932 -15.898 1.00 9.46 C ATOM 1321 O LEU A 99 10.281 -13.103 -15.725 1.00 11.77 O ATOM 1322 CB LEU A 99 8.195 -11.208 -15.829 1.00 9.79 C ATOM 1323 CG LEU A 99 7.188 -10.167 -15.310 1.00 16.93 C ATOM 1324 CD1 LEU A 99 5.765 -10.582 -15.587 1.00 23.18 C ATOM 1325 CD2 LEU A 99 7.377 -9.930 -13.811 1.00 14.49 C ATOM 1326 H ALEU A 99 10.349 -8.841 -15.542 0.05 8.23 H ATOM 1327 D BLEU A 99 10.349 -8.841 -15.542 0.95 8.23 D ATOM 1328 HA LEU A 99 9.753 -10.640 -14.499 1.00 9.41 H ATOM 1329 HB2 LEU A 99 8.040 -11.359 -16.897 1.00 12.88 H ATOM 1330 HB3 LEU A 99 8.009 -12.145 -15.299 1.00 9.59 H ATOM 1331 HG LEU A 99 7.363 -9.215 -15.812 1.00 20.47 H ATOM 1332 HD11 LEU A 99 5.102 -9.754 -15.340 1.00 20.00 H ATOM 1333 HD12 LEU A 99 5.666 -10.827 -16.642 1.00 24.22 H ATOM 1334 HD13 LEU A 99 5.521 -11.456 -14.982 1.00 21.39 H ATOM 1335 HD21 LEU A 99 6.472 -9.488 -13.396 1.00 20.46 H ATOM 1336 HD22 LEU A 99 7.588 -10.880 -13.317 1.00 18.21 H ATOM 1337 HD23 LEU A 99 8.217 -9.247 -13.683 1.00 17.48 H ATOM 1338 N ASN A 100 11.838 -11.618 -16.334 1.00 10.37 N ATOM 1339 CA ASN A 100 12.866 -12.641 -16.462 1.00 8.38 C ATOM 1340 C ASN A 100 13.277 -13.138 -15.080 1.00 8.12 C ATOM 1341 O ASN A 100 13.477 -12.345 -14.154 1.00 10.88 O ATOM 1342 CB ASN A 100 14.078 -12.086 -17.207 1.00 9.76 C ATOM 1343 CG ASN A 100 14.958 -13.179 -17.794 1.00 10.60 C ATOM 1344 OD1 ASN A 100 14.491 -14.275 -18.094 1.00 11.02 O ATOM 1345 ND2 ASN A 100 16.239 -12.875 -17.965 1.00 15.23 N ATOM 1346 H AASN A 100 12.138 -10.676 -16.581 0.02 11.22 H ATOM 1347 D BASN A 100 12.138 -10.676 -16.581 0.98 11.22 D ATOM 1348 HA ASN A 100 12.466 -13.488 -17.016 1.00 8.57 H ATOM 1349 HB2 ASN A 100 13.742 -11.460 -18.030 1.00 15.50 H ATOM 1350 HB3 ASN A 100 14.696 -11.507 -16.522 1.00 14.65 H ATOM 1351 HD21AASN A 100 16.896 -13.569 -18.323 0.15 15.15 H ATOM 1352 DD21BASN A 100 16.896 -13.569 -18.323 0.85 15.15 D ATOM 1353 HD22AASN A 100 16.559 -11.938 -17.725 0.17 11.70 H ATOM 1354 DD22BASN A 100 16.559 -11.938 -17.725 0.83 11.70 D ATOM 1355 N ASN A 101 13.390 -14.464 -14.948 1.00 6.94 N ATOM 1356 CA ASN A 101 13.785 -15.123 -13.696 1.00 8.85 C ATOM 1357 C ASN A 101 12.711 -14.968 -12.624 1.00 7.16 C ATOM 1358 O ASN A 101 13.001 -14.696 -11.460 1.00 6.42 O ATOM 1359 CB ASN A 101 15.149 -14.655 -13.185 1.00 6.96 C ATOM 1360 CG ASN A 101 16.247 -14.835 -14.209 1.00 9.80 C ATOM 1361 OD1 ASN A 101 16.560 -15.957 -14.610 1.00 12.22 O ATOM 1362 ND2 ASN A 101 16.852 -13.724 -14.626 1.00 10.90 N ATOM 1363 H AASN A 101 13.170 -15.098 -15.709 0.07 8.31 H ATOM 1364 D BASN A 101 13.170 -15.098 -15.709 0.93 8.31 D ATOM 1365 HA ASN A 101 13.846 -16.192 -13.887 1.00 7.96 H ATOM 1366 HB2 ASN A 101 15.088 -13.606 -12.895 1.00 9.77 H ATOM 1367 HB3 ASN A 101 15.429 -15.249 -12.320 1.00 9.11 H ATOM 1368 HD21AASN A 101 17.558 -13.766 -15.360 0.27 8.40 H ATOM 1369 DD21BASN A 101 17.558 -13.766 -15.360 0.73 8.40 D ATOM 1370 HD22AASN A 101 16.602 -12.837 -14.204 0.02 12.04 H ATOM 1371 DD22BASN A 101 16.602 -12.837 -14.204 0.98 12.04 D ATOM 1372 N ASP A 102 11.456 -15.147 -13.032 1.00 7.76 N ATOM 1373 CA ASP A 102 10.304 -14.979 -12.144 1.00 8.72 C ATOM 1374 C ASP A 102 10.109 -16.242 -11.307 1.00 5.58 C ATOM 1375 O ASP A 102 9.258 -17.092 -11.579 1.00 8.27 O ATOM 1376 CB ASP A 102 9.059 -14.657 -12.958 1.00 6.40 C ATOM 1377 CG ASP A 102 7.890 -14.244 -12.095 1.00 5.14 C ATOM 1378 OD1 ASP A 102 8.104 -13.967 -10.890 1.00 7.47 O ATOM 1379 OD2 ASP A 102 6.760 -14.217 -12.615 1.00 7.37 O ATOM 1380 H AASP A 102 11.219 -15.367 -14.005 0.08 8.86 H ATOM 1381 D BASP A 102 11.219 -15.367 -14.005 0.92 8.86 D ATOM 1382 HA ASP A 102 10.515 -14.149 -11.474 1.00 7.13 H ATOM 1383 HB2 ASP A 102 9.271 -13.841 -13.643 1.00 7.94 H ATOM 1384 HB3 ASP A 102 8.742 -15.534 -13.522 1.00 7.80 H ATOM 1385 N ILE A 103 10.920 -16.359 -10.262 1.00 7.62 N ATOM 1386 CA ILE A 103 10.891 -17.532 -9.407 1.00 6.74 C ATOM 1387 C ILE A 103 11.374 -17.116 -8.020 1.00 7.38 C ATOM 1388 O ILE A 103 12.274 -16.283 -7.885 1.00 6.67 O ATOM 1389 CB ILE A 103 11.731 -18.680 -10.023 1.00 8.46 C ATOM 1390 CG1 ILE A 103 11.649 -19.940 -9.174 1.00 10.10 C ATOM 1391 CG2 ILE A 103 13.199 -18.270 -10.216 1.00 8.27 C ATOM 1392 CD1 ILE A 103 12.217 -21.159 -9.890 1.00 14.60 C ATOM 1393 H AILE A 103 11.616 -15.663 -9.996 1.00 7.32 H ATOM 1394 D BILE A 103 11.616 -15.663 -9.996 0.00 7.32 D ATOM 1395 HA ILE A 103 9.856 -17.874 -9.317 1.00 7.10 H ATOM 1396 HB ILE A 103 11.308 -18.917 -10.997 1.00 9.33 H ATOM 1397 HG12 ILE A 103 12.217 -19.788 -8.255 1.00 12.62 H ATOM 1398 HG13 ILE A 103 10.602 -20.128 -8.940 1.00 9.62 H ATOM 1399 HG21 ILE A 103 13.669 -18.158 -9.240 1.00 11.94 H ATOM 1400 HG22 ILE A 103 13.725 -19.040 -10.786 1.00 10.62 H ATOM 1401 HG23 ILE A 103 13.242 -17.328 -10.762 1.00 10.63 H ATOM 1402 HD11 ILE A 103 11.766 -21.249 -10.878 1.00 14.82 H ATOM 1403 HD12 ILE A 103 13.296 -21.054 -9.997 1.00 13.94 H ATOM 1404 HD13 ILE A 103 12.003 -22.060 -9.322 1.00 15.05 H ATOM 1405 N AMET A 104 10.740 -17.663 -6.987 0.43 7.13 N ATOM 1406 N BMET A 104 10.773 -17.724 -6.996 0.57 7.13 N ATOM 1407 CA AMET A 104 11.186 -17.431 -5.623 0.43 7.55 C ATOM 1408 CA BMET A 104 11.043 -17.421 -5.601 0.57 7.59 C ATOM 1409 C AMET A 104 10.933 -18.679 -4.792 0.43 7.36 C ATOM 1410 C BMET A 104 10.909 -18.700 -4.785 0.57 7.33 C ATOM 1411 O AMET A 104 10.060 -19.495 -5.105 0.43 8.00 O ATOM 1412 O BMET A 104 10.095 -19.572 -5.105 0.57 7.96 O ATOM 1413 CB AMET A 104 10.496 -16.222 -4.972 0.43 7.78 C ATOM 1414 CB BMET A 104 10.040 -16.374 -5.091 0.57 7.74 C ATOM 1415 CG AMET A 104 9.015 -16.406 -4.724 0.43 6.52 C ATOM 1416 CG BMET A 104 10.136 -16.052 -3.619 0.57 8.85 C ATOM 1417 SD AMET A 104 8.270 -14.986 -3.903 0.43 10.35 S ATOM 1418 SD BMET A 104 9.103 -14.658 -3.126 0.57 12.44 S ATOM 1419 CE AMET A 104 8.876 -15.224 -2.238 0.43 12.26 C ATOM 1420 CE BMET A 104 7.460 -15.345 -3.304 0.57 11.31 C ATOM 1421 H AMET A 104 9.919 -18.263 -7.064 0.43 7.45 H ATOM 1422 H BMET A 104 10.067 -18.449 -7.115 0.57 7.47 H ATOM 1423 HA AMET A 104 12.258 -17.230 -5.633 0.43 7.92 H ATOM 1424 HA BMET A 104 12.052 -17.022 -5.495 0.57 7.91 H ATOM 1425 HB2AMET A 104 10.969 -16.043 -4.006 0.43 8.90 H ATOM 1426 HB2BMET A 104 10.212 -15.449 -5.635 0.57 8.95 H ATOM 1427 HB3AMET A 104 10.626 -15.349 -5.612 0.43 9.10 H ATOM 1428 HB3BMET A 104 9.031 -16.737 -5.294 0.57 7.13 H ATOM 1429 HG2AMET A 104 8.508 -16.556 -5.676 0.43 6.96 H ATOM 1430 HG2BMET A 104 9.828 -16.921 -3.042 0.57 10.06 H ATOM 1431 HG3BMET A 104 11.168 -15.801 -3.382 0.57 9.38 H ATOM 1432 HE1BMET A 104 7.371 -15.783 -4.298 0.57 9.99 H ATOM 1433 HE2AMET A 104 9.956 -15.367 -2.262 0.43 10.90 H ATOM 1434 HE2BMET A 104 6.734 -14.542 -3.178 0.57 9.96 H ATOM 1435 HE3AMET A 104 8.615 -14.352 -1.637 0.43 14.09 H ATOM 1436 HE3BMET A 104 7.304 -16.102 -2.536 0.57 11.61 H ATOM 1437 N LEU A 105 11.728 -18.817 -3.740 1.00 8.29 N ATOM 1438 CA LEU A 105 11.639 -19.919 -2.795 1.00 7.03 C ATOM 1439 C LEU A 105 11.157 -19.381 -1.455 1.00 7.73 C ATOM 1440 O LEU A 105 11.547 -18.286 -1.042 1.00 7.92 O ATOM 1441 CB LEU A 105 13.014 -20.569 -2.605 1.00 6.75 C ATOM 1442 CG LEU A 105 13.482 -21.376 -3.813 1.00 10.74 C ATOM 1443 CD1 LEU A 105 14.963 -21.694 -3.731 1.00 15.30 C ATOM 1444 CD2 LEU A 105 12.678 -22.664 -3.899 1.00 13.87 C ATOM 1445 H ALEU A 105 12.470 -18.151 -3.528 0.97 9.19 H ATOM 1446 D BLEU A 105 12.470 -18.151 -3.528 0.03 9.19 D ATOM 1447 HA LEU A 105 10.919 -20.662 -3.145 1.00 8.27 H ATOM 1448 HB2 LEU A 105 13.753 -19.792 -2.401 1.00 11.50 H ATOM 1449 HB3 LEU A 105 12.969 -21.254 -1.759 1.00 11.04 H ATOM 1450 HG LEU A 105 13.302 -20.786 -4.714 1.00 15.32 H ATOM 1451 HD11 LEU A 105 15.517 -20.780 -3.528 1.00 13.85 H ATOM 1452 HD12 LEU A 105 15.134 -22.411 -2.929 1.00 14.56 H ATOM 1453 HD13 LEU A 105 15.282 -22.127 -4.678 1.00 15.33 H ATOM 1454 HD21 LEU A 105 13.095 -23.317 -4.665 1.00 15.78 H ATOM 1455 HD22 LEU A 105 12.737 -23.166 -2.932 1.00 18.02 H ATOM 1456 HD23 LEU A 105 11.640 -22.433 -4.130 1.00 13.55 H ATOM 1457 N ILE A 106 10.284 -20.145 -0.800 1.00 8.23 N ATOM 1458 CA ILE A 106 9.737 -19.801 0.510 1.00 7.63 C ATOM 1459 C ILE A 106 10.035 -20.957 1.461 1.00 7.00 C ATOM 1460 O ILE A 106 9.643 -22.098 1.194 1.00 6.59 O ATOM 1461 CB ILE A 106 8.223 -19.550 0.445 1.00 9.49 C ATOM 1462 CG1 ILE A 106 7.920 -18.417 -0.532 1.00 14.15 C ATOM 1463 CG2 ILE A 106 7.676 -19.229 1.835 1.00 12.43 C ATOM 1464 CD1 ILE A 106 6.436 -18.187 -0.759 1.00 16.62 C ATOM 1465 H AILE A 106 9.927 -21.024 -1.172 0.98 8.02 H ATOM 1466 D BILE A 106 9.927 -21.024 -1.172 0.02 8.02 D ATOM 1467 HA ILE A 106 10.217 -18.900 0.896 1.00 8.63 H ATOM 1468 HB ILE A 106 7.718 -20.442 0.078 1.00 10.93 H ATOM 1469 HG12 ILE A 106 8.359 -17.490 -0.168 1.00 17.95 H ATOM 1470 HG13 ILE A 106 8.373 -18.657 -1.493 1.00 13.60 H ATOM 1471 HG21 ILE A 106 6.589 -19.248 1.803 1.00 12.38 H ATOM 1472 HG22 ILE A 106 8.043 -19.953 2.560 1.00 13.60 H ATOM 1473 HG23 ILE A 106 7.994 -18.232 2.130 1.00 16.60 H ATOM 1474 HD11 ILE A 106 6.044 -17.572 0.047 1.00 20.47 H ATOM 1475 HD12 ILE A 106 6.290 -17.678 -1.709 1.00 15.86 H ATOM 1476 HD13 ILE A 106 5.919 -19.146 -0.776 1.00 16.46 H ATOM 1477 N LYS A 107 10.716 -20.667 2.569 1.00 7.80 N ATOM 1478 CA LYS A 107 10.929 -21.676 3.604 1.00 8.91 C ATOM 1479 C LYS A 107 9.826 -21.593 4.654 1.00 9.12 C ATOM 1480 O LYS A 107 9.453 -20.502 5.098 1.00 11.60 O ATOM 1481 CB LYS A 107 12.301 -21.530 4.257 1.00 10.36 C ATOM 1482 CG LYS A 107 12.664 -22.721 5.137 1.00 13.99 C ATOM 1483 CD LYS A 107 14.024 -22.596 5.771 1.00 14.70 C ATOM 1484 CE LYS A 107 14.382 -23.881 6.486 1.00 13.08 C ATOM 1485 NZ LYS A 107 15.663 -23.787 7.252 1.00 14.88 N ATOM 1486 H ALYS A 107 11.104 -19.745 2.784 0.99 8.58 H ATOM 1487 D BLYS A 107 11.104 -19.745 2.784 0.01 8.58 D ATOM 1488 HA LYS A 107 10.879 -22.668 3.153 1.00 11.26 H ATOM 1489 HB2 LYS A 107 13.053 -21.444 3.474 1.00 16.31 H ATOM 1490 HB3 LYS A 107 12.298 -20.629 4.866 1.00 13.31 H ATOM 1491 HG2 LYS A 107 11.944 -22.811 5.948 1.00 12.79 H ATOM 1492 HG3 LYS A 107 12.649 -23.624 4.532 1.00 15.97 H ATOM 1493 HD2 LYS A 107 14.777 -22.411 5.004 1.00 15.09 H ATOM 1494 HD3 LYS A 107 14.020 -21.785 6.500 1.00 20.36 H ATOM 1495 HE2 LYS A 107 13.593 -24.128 7.195 1.00 13.93 H ATOM 1496 HE3 LYS A 107 14.495 -24.681 5.756 1.00 21.14 H ATOM 1497 HZ1ALYS A 107 15.478 -23.439 8.209 0.14 21.31 H ATOM 1498 DZ1BLYS A 107 15.478 -23.439 8.209 0.86 21.31 D ATOM 1499 HZ2ALYS A 107 16.103 -24.719 7.312 0.16 16.05 H ATOM 1500 DZ2BLYS A 107 16.103 -24.719 7.312 0.84 16.05 D ATOM 1501 HZ3ALYS A 107 16.309 -23.133 6.767 0.12 12.81 H ATOM 1502 DZ3BLYS A 107 16.309 -23.133 6.767 0.88 12.81 D ATOM 1503 N LEU A 108 9.289 -22.751 5.025 1.00 8.53 N ATOM 1504 CA LEU A 108 8.272 -22.830 6.057 1.00 10.47 C ATOM 1505 C LEU A 108 8.911 -22.845 7.437 1.00 11.32 C ATOM 1506 O LEU A 108 9.987 -23.411 7.642 1.00 13.74 O ATOM 1507 CB LEU A 108 7.489 -24.125 5.895 1.00 12.27 C ATOM 1508 CG LEU A 108 6.831 -24.304 4.537 1.00 16.75 C ATOM 1509 CD1 LEU A 108 5.971 -25.547 4.514 1.00 17.73 C ATOM 1510 CD2 LEU A 108 6.034 -23.060 4.197 1.00 18.35 C ATOM 1511 H ALEU A 108 9.545 -23.657 4.630 0.56 11.69 H ATOM 1512 D BLEU A 108 9.545 -23.657 4.630 0.44 11.69 D ATOM 1513 HA LEU A 108 7.606 -21.972 5.967 1.00 16.67 H ATOM 1514 HB2 LEU A 108 8.175 -24.958 6.043 1.00 12.36 H ATOM 1515 HB3 LEU A 108 6.704 -24.165 6.645 1.00 11.57 H ATOM 1516 HG LEU A 108 7.624 -24.420 3.799 1.00 14.13 H ATOM 1517 HD11 LEU A 108 5.490 -25.664 5.485 1.00 16.04 H ATOM 1518 HD12 LEU A 108 5.220 -25.436 3.733 1.00 20.03 H ATOM 1519 HD13 LEU A 108 6.598 -26.416 4.320 1.00 18.51 H ATOM 1520 HD21 LEU A 108 5.355 -23.272 3.373 1.00 16.04 H ATOM 1521 HD22 LEU A 108 5.469 -22.745 5.075 1.00 15.69 H ATOM 1522 HD23 LEU A 108 6.738 -22.284 3.901 1.00 16.66 H ATOM 1523 N LYS A 109 8.221 -22.229 8.397 1.00 10.52 N ATOM 1524 CA LYS A 109 8.735 -22.195 9.764 1.00 10.50 C ATOM 1525 C LYS A 109 8.854 -23.595 10.350 1.00 16.10 C ATOM 1526 O LYS A 109 9.765 -23.860 11.146 1.00 16.11 O ATOM 1527 CB LYS A 109 7.840 -21.315 10.644 1.00 15.06 C ATOM 1528 H ALYS A 109 7.332 -21.746 8.255 0.15 11.75 H ATOM 1529 D BLYS A 109 7.332 -21.746 8.255 0.85 11.75 D ATOM 1530 HA LYS A 109 9.739 -21.768 9.751 1.00 13.42 H ATOM 1531 HB2 LYS A 109 7.197 -20.701 10.013 1.00 21.33 H ATOM 1532 N SER A 110 7.964 -24.504 9.963 1.00 13.58 N ATOM 1533 CA SER A 110 8.061 -25.898 10.371 1.00 14.69 C ATOM 1534 C SER A 110 7.685 -26.797 9.205 1.00 14.83 C ATOM 1535 O SER A 110 6.987 -26.393 8.274 1.00 13.88 O ATOM 1536 CB SER A 110 7.139 -26.203 11.553 1.00 17.42 C ATOM 1537 OG SER A 110 5.803 -25.828 11.266 1.00 28.12 O ATOM 1538 H ASER A 110 7.158 -24.295 9.374 0.17 14.18 H ATOM 1539 D BSER A 110 7.158 -24.295 9.374 0.83 14.18 D ATOM 1540 HA SER A 110 9.088 -26.117 10.667 1.00 20.76 H ATOM 1541 HB2 SER A 110 7.167 -27.272 11.758 1.00 23.30 H ATOM 1542 N ALA A 111 8.159 -28.035 9.273 1.00 17.37 N ATOM 1543 CA ALA A 111 7.890 -28.986 8.208 1.00 16.38 C ATOM 1544 C ALA A 111 6.401 -29.293 8.127 1.00 12.52 C ATOM 1545 O ALA A 111 5.710 -29.418 9.144 1.00 16.95 O ATOM 1546 CB ALA A 111 8.660 -30.284 8.449 1.00 20.71 C ATOM 1547 H AALA A 111 8.730 -28.393 10.035 0.06 18.93 H ATOM 1548 D BALA A 111 8.730 -28.393 10.035 0.94 18.93 D ATOM 1549 HA ALA A 111 8.214 -28.549 7.261 1.00 17.11 H ATOM 1550 HB1 ALA A 111 8.262 -31.053 7.785 1.00 19.78 H ATOM 1551 HB2 ALA A 111 9.721 -30.127 8.252 1.00 18.68 H ATOM 1552 HB3 ALA A 111 8.508 -30.591 9.483 1.00 19.54 H ATOM 1553 N ALA A 112 5.910 -29.414 6.902 1.00 11.14 N ATOM 1554 CA ALA A 112 4.566 -29.911 6.676 1.00 16.25 C ATOM 1555 C ALA A 112 4.516 -31.412 6.950 1.00 16.21 C ATOM 1556 O ALA A 112 5.525 -32.117 6.884 1.00 16.04 O ATOM 1557 CB ALA A 112 4.152 -29.669 5.227 1.00 18.81 C ATOM 1558 H AALA A 112 6.432 -29.180 6.057 0.00 15.10 H ATOM 1559 D BALA A 112 6.432 -29.180 6.057 1.00 15.10 D ATOM 1560 HA ALA A 112 3.867 -29.406 7.345 1.00 19.37 H ATOM 1561 HB1 ALA A 112 4.720 -30.332 4.575 1.00 18.49 H ATOM 1562 HB2 ALA A 112 3.089 -29.869 5.120 1.00 18.43 H ATOM 1563 HB3 ALA A 112 4.357 -28.633 4.966 1.00 17.18 H ATOM 1564 N SER A 113 3.314 -31.904 7.254 1.00 14.86 N ATOM 1565 CA SER A 113 3.084 -33.331 7.446 1.00 12.77 C ATOM 1566 C SER A 113 2.569 -33.903 6.130 1.00 16.45 C ATOM 1567 O SER A 113 1.458 -33.580 5.699 1.00 15.15 O ATOM 1568 CB SER A 113 2.105 -33.584 8.590 1.00 17.73 C ATOM 1569 OG SER A 113 1.818 -34.967 8.727 1.00 26.62 O ATOM 1570 H ASER A 113 2.477 -31.337 7.350 0.00 14.66 H ATOM 1571 D BSER A 113 2.477 -31.337 7.350 1.00 14.66 D ATOM 1572 HB3 SER A 113 1.183 -33.031 8.413 1.00 21.40 H ATOM 1573 N LEU A 114 3.380 -34.744 5.488 1.00 14.09 N ATOM 1574 CA LEU A 114 3.084 -35.217 4.144 1.00 13.31 C ATOM 1575 C LEU A 114 2.251 -36.490 4.188 1.00 19.05 C ATOM 1576 O LEU A 114 2.549 -37.416 4.949 1.00 21.34 O ATOM 1577 CB LEU A 114 4.373 -35.441 3.348 1.00 14.05 C ATOM 1578 CG LEU A 114 5.249 -34.195 3.138 1.00 18.48 C ATOM 1579 CD1 LEU A 114 6.341 -34.493 2.117 1.00 26.04 C ATOM 1580 CD2 LEU A 114 4.435 -32.979 2.680 1.00 26.21 C ATOM 1581 H ALEU A 114 4.249 -35.109 5.872 0.07 17.99 H ATOM 1582 D BLEU A 114 4.249 -35.109 5.872 0.93 17.99 D ATOM 1583 HA LEU A 114 2.484 -34.471 3.627 1.00 15.49 H ATOM 1584 HB2 LEU A 114 4.985 -36.194 3.846 1.00 18.90 H ATOM 1585 HB3 LEU A 114 4.103 -35.807 2.357 1.00 17.26 H ATOM 1586 HG LEU A 114 5.734 -33.944 4.082 1.00 22.05 H ATOM 1587 HD11 LEU A 114 7.078 -33.691 2.122 1.00 24.98 H ATOM 1588 HD12 LEU A 114 6.820 -35.441 2.361 1.00 24.12 H ATOM 1589 HD13 LEU A 114 5.874 -34.562 1.135 1.00 24.90 H ATOM 1590 HD21 LEU A 114 5.062 -32.093 2.744 1.00 18.93 H ATOM 1591 HD22 LEU A 114 4.125 -33.127 1.648 1.00 21.95 H ATOM 1592 HD23 LEU A 114 3.559 -32.827 3.307 1.00 22.62 H ATOM 1593 N ASN A 115 1.204 -36.514 3.372 1.00 25.15 N ATOM 1594 CA ASN A 115 0.270 -37.632 3.279 1.00 27.45 C ATOM 1595 C ASN A 115 -0.195 -37.726 1.825 1.00 24.00 C ATOM 1596 O ASN A 115 0.438 -37.165 0.925 1.00 26.66 O ATOM 1597 CB ASN A 115 -0.867 -37.468 4.305 1.00 25.10 C ATOM 1598 CG ASN A 115 -1.588 -36.135 4.180 1.00 27.94 C ATOM 1599 OD1 ASN A 115 -2.197 -35.838 3.152 1.00 22.86 O ATOM 1600 ND2 ASN A 115 -1.534 -35.331 5.238 1.00 33.12 N ATOM 1601 H AASN A 115 0.978 -35.745 2.743 0.13 18.78 H ATOM 1602 D BASN A 115 0.978 -35.745 2.743 0.87 18.78 D ATOM 1603 HD21AASN A 115 -2.114 -34.491 5.266 0.34 18.45 H ATOM 1604 DD21BASN A 115 -2.114 -34.491 5.266 0.66 18.45 D ATOM 1605 N SER A 116 -1.310 -38.422 1.586 1.00 24.76 N ATOM 1606 CA SER A 116 -1.802 -38.565 0.219 1.00 22.10 C ATOM 1607 C SER A 116 -2.408 -37.266 -0.299 1.00 18.83 C ATOM 1608 O SER A 116 -2.408 -37.024 -1.511 1.00 19.18 O ATOM 1609 CB SER A 116 -2.830 -39.693 0.152 1.00 32.51 C ATOM 1610 OG SER A 116 -3.917 -39.444 1.028 1.00 25.20 O ATOM 1611 H ASER A 116 -1.891 -38.879 2.291 0.00 26.12 H ATOM 1612 D BSER A 116 -1.891 -38.879 2.291 1.00 26.12 D ATOM 1613 HA SER A 116 -0.964 -38.829 -0.429 1.00 26.63 H ATOM 1614 N ARG A 117 -2.918 -36.422 0.594 1.00 19.45 N ATOM 1615 CA ARG A 117 -3.562 -35.173 0.205 1.00 15.84 C ATOM 1616 C ARG A 117 -2.629 -33.973 0.241 1.00 14.50 C ATOM 1617 O ARG A 117 -2.937 -32.948 -0.379 1.00 17.35 O ATOM 1618 CB ARG A 117 -4.790 -34.910 1.088 1.00 17.08 C ATOM 1619 CG ARG A 117 -5.890 -35.933 0.851 1.00 18.44 C ATOM 1620 CD ARG A 117 -7.079 -35.792 1.805 1.00 24.61 C ATOM 1621 NE ARG A 117 -8.065 -36.844 1.564 1.00 27.09 N ATOM 1622 CZ ARG A 117 -9.161 -36.711 0.822 1.00 26.01 C ATOM 1623 NH1 ARG A 117 -9.465 -35.559 0.224 1.00 27.44 N ATOM 1624 NH2 ARG A 117 -9.967 -37.755 0.682 1.00 38.62 N ATOM 1625 H AARG A 117 -2.882 -36.569 1.601 0.00 20.46 H ATOM 1626 D BARG A 117 -2.882 -36.569 1.601 1.00 20.46 D ATOM 1627 HA ARG A 117 -3.912 -35.259 -0.822 1.00 14.36 H ATOM 1628 HB2 ARG A 117 -4.495 -34.957 2.136 1.00 19.94 H ATOM 1629 HB3 ARG A 117 -5.188 -33.922 0.859 1.00 19.97 H ATOM 1630 HG2 ARG A 117 -6.250 -35.839 -0.172 1.00 19.03 H ATOM 1631 HD2 ARG A 117 -6.721 -35.911 2.821 1.00 21.93 H ATOM 1632 HD3 ARG A 117 -7.538 -34.818 1.681 1.00 24.24 H ATOM 1633 HE AARG A 117 -7.958 -37.717 2.090 0.16 24.20 H ATOM 1634 DE BARG A 117 -7.958 -37.717 2.090 0.84 24.20 D ATOM 1635 HH11AARG A 117 -10.314 -35.486 -0.338 0.29 21.84 H ATOM 1636 DH11BARG A 117 -10.314 -35.486 -0.338 0.71 21.84 D ATOM 1637 HH12AARG A 117 -8.851 -34.750 0.312 0.32 23.74 H ATOM 1638 DH12BARG A 117 -8.851 -34.750 0.312 0.68 23.74 D ATOM 1639 HH21AARG A 117 -9.708 -38.628 1.148 0.12 25.18 H ATOM 1640 DH21BARG A 117 -9.708 -38.628 1.148 0.88 25.18 D ATOM 1641 N VAL A 118 -1.508 -34.072 0.950 1.00 13.86 N ATOM 1642 CA VAL A 118 -0.494 -33.028 0.986 1.00 12.15 C ATOM 1643 C VAL A 118 0.815 -33.718 0.650 1.00 15.39 C ATOM 1644 O VAL A 118 1.282 -34.577 1.406 1.00 15.35 O ATOM 1645 CB VAL A 118 -0.411 -32.331 2.350 1.00 13.28 C ATOM 1646 CG1 VAL A 118 0.720 -31.331 2.349 1.00 17.59 C ATOM 1647 CG2 VAL A 118 -1.731 -31.650 2.674 1.00 16.67 C ATOM 1648 H AVAL A 118 -1.260 -34.891 1.496 0.00 17.20 H ATOM 1649 D BVAL A 118 -1.260 -34.891 1.496 1.00 17.20 D ATOM 1650 HA VAL A 118 -0.702 -32.277 0.229 1.00 11.63 H ATOM 1651 HB VAL A 118 -0.205 -33.076 3.114 1.00 16.36 H ATOM 1652 HG11 VAL A 118 0.600 -30.621 3.164 1.00 15.99 H ATOM 1653 HG12 VAL A 118 1.673 -31.855 2.411 1.00 18.18 H ATOM 1654 HG21 VAL A 118 -2.030 -31.053 1.815 1.00 17.11 H ATOM 1655 HG22 VAL A 118 -2.487 -32.405 2.894 1.00 18.33 H ATOM 1656 HG23 VAL A 118 -1.595 -30.991 3.530 1.00 15.44 H ATOM 1657 N ALA A 119 1.390 -33.376 -0.494 1.00 12.69 N ATOM 1658 CA ALA A 119 2.558 -34.085 -0.974 1.00 13.76 C ATOM 1659 C ALA A 119 3.397 -33.145 -1.821 1.00 13.61 C ATOM 1660 O ALA A 119 2.900 -32.160 -2.372 1.00 13.88 O ATOM 1661 CB ALA A 119 2.143 -35.314 -1.790 1.00 19.69 C ATOM 1662 H AALA A 119 1.060 -32.630 -1.100 0.00 12.04 H ATOM 1663 D BALA A 119 1.060 -32.630 -1.100 1.00 12.04 D ATOM 1664 HA ALA A 119 3.161 -34.413 -0.125 1.00 16.88 H ATOM 1665 HB1 ALA A 119 1.393 -35.017 -2.522 1.00 16.69 H ATOM 1666 HB2 ALA A 119 3.012 -35.722 -2.303 1.00 17.20 H ATOM 1667 HB3 ALA A 119 1.715 -36.056 -1.119 1.00 19.94 H ATOM 1668 N SER A 120 4.678 -33.470 -1.926 1.00 11.64 N ATOM 1669 CA SER A 120 5.591 -32.656 -2.709 1.00 9.54 C ATOM 1670 C SER A 120 5.558 -33.098 -4.169 1.00 14.01 C ATOM 1671 O SER A 120 5.159 -34.215 -4.498 1.00 13.73 O ATOM 1672 CB SER A 120 7.016 -32.728 -2.159 1.00 15.05 C ATOM 1673 OG SER A 120 7.494 -34.059 -2.098 1.00 15.41 O ATOM 1674 H ASER A 120 5.090 -34.306 -1.516 0.00 13.97 H ATOM 1675 D BSER A 120 5.090 -34.306 -1.516 1.00 13.97 D ATOM 1676 HA SER A 120 5.275 -31.615 -2.652 1.00 10.44 H ATOM 1677 HB2 SER A 120 7.666 -32.140 -2.804 1.00 18.45 H ATOM 1678 HB3 SER A 120 7.013 -32.300 -1.158 1.00 19.42 H ATOM 1679 N ILE A 121 5.979 -32.193 -5.044 1.00 11.13 N ATOM 1680 CA ILE A 121 6.118 -32.470 -6.469 1.00 9.02 C ATOM 1681 C ILE A 121 7.605 -32.505 -6.800 1.00 9.34 C ATOM 1682 O ILE A 121 8.390 -31.699 -6.288 1.00 10.23 O ATOM 1683 CB ILE A 121 5.331 -31.464 -7.345 1.00 10.80 C ATOM 1684 CG1 ILE A 121 5.446 -31.800 -8.826 1.00 14.53 C ATOM 1685 CG2 ILE A 121 5.798 -30.035 -7.136 1.00 11.62 C ATOM 1686 CD1 ILE A 121 4.656 -33.006 -9.239 1.00 13.37 C ATOM 1687 H AILE A 121 6.249 -31.244 -4.793 0.69 12.29 H ATOM 1688 D BILE A 121 6.249 -31.244 -4.793 0.31 12.29 D ATOM 1689 HA ILE A 121 5.724 -33.465 -6.671 1.00 12.69 H ATOM 1690 HB ILE A 121 4.285 -31.535 -7.052 1.00 12.51 H ATOM 1691 HG12 ILE A 121 5.072 -30.952 -9.398 1.00 14.59 H ATOM 1692 HG13 ILE A 121 6.492 -31.969 -9.073 1.00 13.70 H ATOM 1693 HG21 ILE A 121 5.136 -29.364 -7.685 1.00 14.71 H ATOM 1694 HG22 ILE A 121 5.759 -29.796 -6.075 1.00 12.09 H ATOM 1695 HG23 ILE A 121 6.820 -29.944 -7.499 1.00 12.47 H ATOM 1696 HD11 ILE A 121 4.662 -33.047 -10.324 1.00 13.89 H ATOM 1697 HD12 ILE A 121 5.132 -33.898 -8.834 1.00 17.35 H ATOM 1698 HD13 ILE A 121 3.632 -32.919 -8.876 1.00 14.74 H ATOM 1699 N SER A 122 7.986 -33.463 -7.636 1.00 11.68 N ATOM 1700 CA SER A 122 9.379 -33.642 -8.020 1.00 18.47 C ATOM 1701 C SER A 122 9.854 -32.504 -8.917 1.00 16.83 C ATOM 1702 O SER A 122 9.107 -31.983 -9.747 1.00 11.63 O ATOM 1703 CB SER A 122 9.522 -34.950 -8.799 1.00 19.38 C ATOM 1704 H ASER A 122 7.343 -34.125 -8.055 0.07 14.04 H ATOM 1705 D BSER A 122 7.343 -34.125 -8.055 0.93 14.04 D ATOM 1706 HA SER A 122 10.012 -33.691 -7.132 1.00 23.43 H ATOM 1707 HB2 SER A 122 8.698 -35.014 -9.512 1.00 18.71 H ATOM 1708 N LEU A 123 11.122 -32.140 -8.763 1.00 14.15 N ATOM 1709 CA LEU A 123 11.757 -31.236 -9.707 1.00 14.26 C ATOM 1710 C LEU A 123 12.151 -32.005 -10.961 1.00 16.93 C ATOM 1711 O LEU A 123 12.335 -33.223 -10.922 1.00 17.16 O ATOM 1712 CB LEU A 123 13.002 -30.616 -9.092 1.00 14.18 C ATOM 1713 CG LEU A 123 12.795 -29.686 -7.898 1.00 19.25 C ATOM 1714 CD1 LEU A 123 14.125 -29.096 -7.437 1.00 22.61 C ATOM 1715 CD2 LEU A 123 11.814 -28.585 -8.254 1.00 21.13 C ATOM 1716 H ALEU A 123 11.731 -32.464 -8.014 0.00 12.38 H ATOM 1717 D BLEU A 123 11.731 -32.464 -8.014 1.00 12.38 D ATOM 1718 HA LEU A 123 11.066 -30.446 -10.000 1.00 14.22 H ATOM 1719 HB2 LEU A 123 13.666 -31.419 -8.770 1.00 13.72 H ATOM 1720 HB3 LEU A 123 13.499 -30.029 -9.863 1.00 17.39 H ATOM 1721 HG LEU A 123 12.386 -30.256 -7.065 1.00 22.65 H ATOM 1722 HD11 LEU A 123 14.638 -28.641 -8.284 1.00 23.30 H ATOM 1723 HD12 LEU A 123 13.922 -28.342 -6.679 1.00 20.71 H ATOM 1724 HD13 LEU A 123 14.747 -29.884 -7.013 1.00 25.60 H ATOM 1725 HD21 LEU A 123 11.824 -27.834 -7.468 1.00 21.75 H ATOM 1726 HD22 LEU A 123 12.090 -28.134 -9.207 1.00 23.82 H ATOM 1727 N PRO A 124 12.286 -31.317 -12.090 1.00 13.50 N ATOM 1728 CA PRO A 124 12.661 -32.000 -13.326 1.00 12.09 C ATOM 1729 C PRO A 124 14.162 -32.236 -13.414 1.00 15.00 C ATOM 1730 O PRO A 124 14.976 -31.460 -12.911 1.00 19.26 O ATOM 1731 CB PRO A 124 12.204 -31.015 -14.408 1.00 12.15 C ATOM 1732 CG PRO A 124 12.379 -29.678 -13.774 1.00 15.05 C ATOM 1733 CD PRO A 124 12.055 -29.880 -12.303 1.00 13.87 C ATOM 1734 HA PRO A 124 12.128 -32.947 -13.434 1.00 16.53 H ATOM 1735 HB2 PRO A 124 12.828 -31.114 -15.292 1.00 15.41 H ATOM 1736 HB3 PRO A 124 11.159 -31.188 -14.657 1.00 17.61 H ATOM 1737 HG2 PRO A 124 13.412 -29.346 -13.899 1.00 17.71 H ATOM 1738 HG3 PRO A 124 11.696 -28.958 -14.220 1.00 16.47 H ATOM 1739 HD2 PRO A 124 12.719 -29.276 -11.686 1.00 15.66 H ATOM 1740 HD3 PRO A 124 11.015 -29.657 -12.082 1.00 14.27 H ATOM 1741 N THR A 125 14.519 -33.340 -14.066 1.00 20.01 N ATOM 1742 CA THR A 125 15.904 -33.595 -14.431 1.00 25.60 C ATOM 1743 C THR A 125 16.191 -33.172 -15.859 1.00 20.46 C ATOM 1744 O THR A 125 17.356 -32.950 -16.209 1.00 25.31 O ATOM 1745 CB THR A 125 16.244 -35.082 -14.257 1.00 27.04 C ATOM 1746 OG1 THR A 125 15.299 -35.882 -14.979 1.00 30.04 O ATOM 1747 H ATHR A 125 13.868 -34.057 -14.379 0.00 18.32 H ATOM 1748 D BTHR A 125 13.868 -34.057 -14.379 1.00 18.32 D ATOM 1749 HA THR A 125 16.559 -33.021 -13.776 1.00 24.04 H ATOM 1750 N SER A 127 15.152 -33.046 -16.674 1.00 19.02 N ATOM 1751 CA SER A 127 15.282 -32.560 -18.036 1.00 19.49 C ATOM 1752 C SER A 127 14.144 -31.598 -18.327 1.00 17.80 C ATOM 1753 O SER A 127 13.090 -31.638 -17.689 1.00 16.76 O ATOM 1754 CB SER A 127 15.279 -33.700 -19.060 1.00 21.60 C ATOM 1755 OG SER A 127 14.034 -34.377 -19.090 1.00 29.30 O ATOM 1756 H ASER A 127 14.203 -33.307 -16.414 0.06 17.51 H ATOM 1757 D BSER A 127 14.203 -33.307 -16.414 0.94 17.51 D ATOM 1758 N CYS A 128 14.386 -30.719 -19.293 1.00 12.54 N ATOM 1759 CA CYS A 128 13.372 -29.777 -19.740 1.00 14.82 C ATOM 1760 C CYS A 128 12.360 -30.487 -20.627 1.00 17.30 C ATOM 1761 O CYS A 128 12.710 -31.383 -21.399 1.00 18.62 O ATOM 1762 CB CYS A 128 14.016 -28.632 -20.524 1.00 13.10 C ATOM 1763 SG CYS A 128 15.273 -27.695 -19.627 1.00 12.15 S ATOM 1764 H ACYS A 128 15.280 -30.633 -19.778 0.32 16.28 H ATOM 1765 D BCYS A 128 15.280 -30.633 -19.778 0.68 16.28 D ATOM 1766 HA CYS A 128 12.847 -29.365 -18.882 1.00 11.55 H ATOM 1767 HB2 CYS A 128 14.485 -29.045 -21.415 1.00 16.27 H ATOM 1768 HB3 CYS A 128 13.239 -27.930 -20.823 1.00 14.90 H ATOM 1769 N ALA A 129 11.099 -30.078 -20.517 1.00 15.87 N ATOM 1770 CA ALA A 129 10.052 -30.670 -21.335 1.00 15.60 C ATOM 1771 C ALA A 129 10.013 -30.013 -22.706 1.00 18.23 C ATOM 1772 O ALA A 129 10.256 -28.813 -22.856 1.00 20.64 O ATOM 1773 CB ALA A 129 8.687 -30.534 -20.666 1.00 16.53 C ATOM 1774 H AALA A 129 10.790 -29.345 -19.882 0.26 14.70 H ATOM 1775 D BALA A 129 10.790 -29.345 -19.882 0.74 14.70 D ATOM 1776 HA ALA A 129 10.267 -31.728 -21.476 1.00 15.85 H ATOM 1777 HB1 ALA A 129 8.782 -30.779 -19.611 1.00 19.70 H ATOM 1778 HB2 ALA A 129 8.324 -29.514 -20.788 1.00 18.66 H ATOM 1779 HB3 ALA A 129 8.000 -31.228 -21.150 1.00 18.18 H ATOM 1780 N SER A 130 9.688 -30.815 -23.711 1.00 17.83 N ATOM 1781 CA SER A 130 9.673 -30.342 -25.085 1.00 14.81 C ATOM 1782 C SER A 130 8.272 -29.874 -25.473 1.00 16.38 C ATOM 1783 O SER A 130 7.264 -30.288 -24.893 1.00 14.44 O ATOM 1784 CB SER A 130 10.116 -31.463 -26.032 1.00 18.50 C ATOM 1785 OG SER A 130 11.413 -31.924 -25.699 1.00 21.78 O ATOM 1786 H ASER A 130 9.416 -31.789 -23.597 0.17 16.96 H ATOM 1787 D BSER A 130 9.416 -31.789 -23.597 0.83 16.96 D ATOM 1788 HA SER A 130 10.363 -29.506 -25.203 1.00 24.97 H ATOM 1789 N ALA A 132 8.224 -29.004 -26.478 1.00 15.65 N ATOM 1790 CA ALA A 132 6.955 -28.597 -27.058 1.00 11.01 C ATOM 1791 C ALA A 132 6.106 -29.818 -27.393 1.00 15.43 C ATOM 1792 O ALA A 132 6.616 -30.860 -27.813 1.00 19.07 O ATOM 1793 CB ALA A 132 7.210 -27.789 -28.333 1.00 17.04 C ATOM 1794 H AALA A 132 9.041 -28.557 -26.895 0.10 18.08 H ATOM 1795 D BALA A 132 9.041 -28.557 -26.895 0.90 18.08 D ATOM 1796 HA ALA A 132 6.408 -27.965 -26.355 1.00 13.66 H ATOM 1797 HB1 ALA A 132 6.264 -27.595 -28.835 1.00 19.18 H ATOM 1798 HB2 ALA A 132 7.686 -26.847 -28.068 1.00 18.00 H ATOM 1799 HB3 ALA A 132 7.855 -28.370 -28.992 1.00 21.71 H ATOM 1800 N GLY A 133 4.796 -29.682 -27.198 1.00 14.08 N ATOM 1801 CA GLY A 133 3.860 -30.756 -27.449 1.00 11.75 C ATOM 1802 C GLY A 133 3.539 -31.601 -26.237 1.00 16.83 C ATOM 1803 O GLY A 133 2.555 -32.345 -26.264 1.00 13.41 O ATOM 1804 H AGLY A 133 4.370 -28.822 -26.849 0.00 14.90 H ATOM 1805 D BGLY A 133 4.370 -28.822 -26.849 1.00 14.90 D ATOM 1806 HA2 GLY A 133 2.916 -30.339 -27.809 1.00 15.92 H ATOM 1807 HA3 GLY A 133 4.251 -31.417 -28.223 1.00 17.74 H ATOM 1808 N THR A 134 4.335 -31.500 -25.175 1.00 12.72 N ATOM 1809 CA THR A 134 4.061 -32.226 -23.946 1.00 16.91 C ATOM 1810 C THR A 134 2.826 -31.636 -23.286 1.00 12.51 C ATOM 1811 O THR A 134 2.693 -30.416 -23.180 1.00 12.59 O ATOM 1812 CB THR A 134 5.234 -32.058 -22.983 1.00 16.85 C ATOM 1813 OG1 THR A 134 6.454 -32.476 -23.610 1.00 17.45 O ATOM 1814 CG2 THR A 134 5.001 -32.846 -21.691 1.00 16.77 C ATOM 1815 H ATHR A 134 5.163 -30.909 -25.138 0.17 12.05 H ATOM 1816 D BTHR A 134 5.163 -30.909 -25.138 0.83 12.05 D ATOM 1817 HA THR A 134 3.903 -33.286 -24.150 1.00 19.12 H ATOM 1818 HB THR A 134 5.319 -31.004 -22.720 1.00 17.63 H ATOM 1819 HG1ATHR A 134 6.860 -31.697 -24.052 0.20 13.85 H ATOM 1820 DG1BTHR A 134 6.860 -31.697 -24.052 0.80 13.85 D ATOM 1821 HG21 THR A 134 4.812 -33.898 -21.903 1.00 24.00 H ATOM 1822 HG22 THR A 134 5.875 -32.770 -21.044 1.00 21.31 H ATOM 1823 HG23 THR A 134 4.143 -32.429 -21.163 1.00 15.70 H ATOM 1824 N GLN A 135 1.935 -32.503 -22.816 1.00 13.34 N ATOM 1825 CA GLN A 135 0.722 -32.059 -22.142 1.00 12.80 C ATOM 1826 C GLN A 135 0.999 -31.869 -20.657 1.00 12.25 C ATOM 1827 O GLN A 135 1.660 -32.696 -20.023 1.00 13.01 O ATOM 1828 CB GLN A 135 -0.410 -33.074 -22.338 1.00 18.03 C ATOM 1829 CG GLN A 135 -1.751 -32.653 -21.712 1.00 22.42 C ATOM 1830 CD GLN A 135 -2.805 -33.761 -21.711 1.00 33.63 C ATOM 1831 OE1 GLN A 135 -2.685 -34.753 -20.985 1.00 30.69 O ATOM 1832 NE2 GLN A 135 -3.849 -33.586 -22.518 1.00 28.60 N ATOM 1833 H AGLN A 135 2.034 -33.516 -22.878 0.07 13.42 H ATOM 1834 D BGLN A 135 2.034 -33.516 -22.878 0.93 13.42 D ATOM 1835 HA GLN A 135 0.418 -31.099 -22.562 1.00 12.15 H ATOM 1836 HB3 GLN A 135 -0.122 -34.049 -21.944 1.00 20.40 H ATOM 1837 HG2 GLN A 135 -1.589 -32.361 -20.679 1.00 21.73 H ATOM 1838 N CYS A 136 0.508 -30.756 -20.112 1.00 9.96 N ATOM 1839 CA CYS A 136 0.730 -30.407 -18.714 1.00 9.40 C ATOM 1840 C CYS A 136 -0.578 -30.048 -18.017 1.00 10.03 C ATOM 1841 O CYS A 136 -1.597 -29.763 -18.649 1.00 10.39 O ATOM 1842 CB CYS A 136 1.702 -29.224 -18.603 1.00 9.12 C ATOM 1843 SG CYS A 136 3.254 -29.462 -19.493 1.00 9.23 S ATOM 1844 H ACYS A 136 -0.026 -30.065 -20.634 0.00 11.37 H ATOM 1845 D BCYS A 136 -0.026 -30.065 -20.634 1.00 11.37 D ATOM 1846 HA CYS A 136 1.176 -31.269 -18.216 1.00 9.57 H ATOM 1847 HB2 CYS A 136 1.243 -28.323 -19.014 1.00 11.42 H ATOM 1848 HB3 CYS A 136 1.938 -29.063 -17.555 1.00 12.43 H ATOM 1849 N LEU A 137 -0.523 -30.052 -16.687 1.00 9.05 N ATOM 1850 CA LEU A 137 -1.654 -29.692 -15.844 1.00 8.19 C ATOM 1851 C LEU A 137 -1.336 -28.386 -15.129 1.00 7.17 C ATOM 1852 O LEU A 137 -0.340 -28.299 -14.406 1.00 9.06 O ATOM 1853 CB LEU A 137 -1.918 -30.768 -14.797 1.00 10.38 C ATOM 1854 CG LEU A 137 -3.129 -30.514 -13.894 1.00 12.15 C ATOM 1855 CD1 LEU A 137 -4.413 -30.668 -14.699 1.00 13.46 C ATOM 1856 CD2 LEU A 137 -3.093 -31.462 -12.701 1.00 14.56 C ATOM 1857 H ALEU A 137 0.316 -30.290 -16.160 0.98 9.66 H ATOM 1858 D BLEU A 137 0.316 -30.290 -16.160 0.02 9.66 D ATOM 1859 HA LEU A 137 -2.526 -29.564 -16.486 1.00 8.74 H ATOM 1860 HB2 LEU A 137 -2.087 -31.723 -15.296 1.00 14.71 H ATOM 1861 HB3 LEU A 137 -1.036 -30.850 -14.158 1.00 15.36 H ATOM 1862 HG LEU A 137 -3.091 -29.495 -13.512 1.00 12.45 H ATOM 1863 HD11 LEU A 137 -5.276 -30.577 -14.040 1.00 16.22 H ATOM 1864 HD12 LEU A 137 -4.458 -29.926 -15.500 1.00 13.54 H ATOM 1865 HD13 LEU A 137 -4.401 -31.663 -15.143 1.00 14.61 H ATOM 1866 HD21 LEU A 137 -2.074 -31.491 -12.313 1.00 18.11 H ATOM 1867 HD22 LEU A 137 -3.774 -31.109 -11.925 1.00 15.30 H ATOM 1868 HD23 LEU A 137 -3.389 -32.457 -13.035 1.00 15.89 H ATOM 1869 N ILE A 138 -2.211 -27.402 -15.287 1.00 9.80 N ATOM 1870 CA ILE A 138 -2.068 -26.104 -14.648 1.00 8.28 C ATOM 1871 C ILE A 138 -3.249 -25.941 -13.706 1.00 9.27 C ATOM 1872 O ILE A 138 -4.370 -26.343 -14.039 1.00 10.01 O ATOM 1873 CB ILE A 138 -2.064 -24.985 -15.711 1.00 8.88 C ATOM 1874 CG1 ILE A 138 -1.078 -25.326 -16.839 1.00 11.06 C ATOM 1875 CG2 ILE A 138 -1.763 -23.623 -15.062 1.00 10.04 C ATOM 1876 CD1 ILE A 138 -1.061 -24.320 -17.988 1.00 15.84 C ATOM 1877 H AILE A 138 -3.041 -27.484 -15.879 1.00 8.01 H ATOM 1878 D BILE A 138 -3.041 -27.484 -15.879 0.00 8.01 D ATOM 1879 HA ILE A 138 -1.130 -26.055 -14.089 1.00 13.07 H ATOM 1880 HB ILE A 138 -3.055 -24.938 -16.160 1.00 12.47 H ATOM 1881 HG12 ILE A 138 -0.068 -25.392 -16.433 1.00 13.41 H ATOM 1882 HG13 ILE A 138 -1.364 -26.287 -17.257 1.00 14.75 H ATOM 1883 HG21 ILE A 138 -1.927 -22.833 -15.795 1.00 12.55 H ATOM 1884 HG22 ILE A 138 -2.435 -23.449 -14.221 1.00 13.38 H ATOM 1885 HG23 ILE A 138 -0.720 -23.613 -14.742 1.00 11.98 H ATOM 1886 HD11 ILE A 138 -2.073 -23.978 -18.202 1.00 19.69 H ATOM 1887 HD12 ILE A 138 -0.437 -23.483 -17.689 1.00 15.22 H ATOM 1888 HD13 ILE A 138 -0.642 -24.801 -18.872 1.00 17.85 H ATOM 1889 N SER A 139 -3.011 -25.374 -12.523 1.00 7.73 N ATOM 1890 CA SER A 139 -4.075 -25.299 -11.532 1.00 5.74 C ATOM 1891 C SER A 139 -3.991 -24.006 -10.736 1.00 6.23 C ATOM 1892 O SER A 139 -2.916 -23.422 -10.590 1.00 6.70 O ATOM 1893 CB SER A 139 -4.007 -26.509 -10.588 1.00 8.05 C ATOM 1894 OG SER A 139 -2.691 -26.766 -10.148 1.00 10.01 O ATOM 1895 H ASER A 139 -2.103 -25.024 -12.218 0.14 9.64 H ATOM 1896 D BSER A 139 -2.103 -25.024 -12.218 0.86 9.64 D ATOM 1897 HA SER A 139 -5.034 -25.320 -12.045 1.00 9.59 H ATOM 1898 HB2 SER A 139 -4.631 -26.297 -9.724 1.00 8.59 H ATOM 1899 HB3 SER A 139 -4.389 -27.387 -11.104 1.00 11.28 H ATOM 1900 HG ASER A 139 -2.512 -26.270 -9.319 0.13 10.11 H ATOM 1901 DG BSER A 139 -2.512 -26.270 -9.319 0.87 10.11 D ATOM 1902 N GLY A 140 -5.129 -23.578 -10.203 1.00 7.40 N ATOM 1903 CA GLY A 140 -5.136 -22.375 -9.389 1.00 7.47 C ATOM 1904 C GLY A 140 -6.534 -21.906 -9.058 1.00 7.22 C ATOM 1905 O GLY A 140 -7.540 -22.425 -9.546 1.00 7.70 O ATOM 1906 H AGLY A 140 -6.034 -24.035 -10.320 0.88 10.29 H ATOM 1907 D BGLY A 140 -6.034 -24.035 -10.320 0.12 10.29 D ATOM 1908 HA2 GLY A 140 -4.590 -22.538 -8.457 1.00 9.17 H ATOM 1909 HA3 GLY A 140 -4.650 -21.571 -9.938 1.00 9.51 H ATOM 1910 N TRP A 141 -6.562 -20.884 -8.199 1.00 6.93 N ATOM 1911 CA TRP A 141 -7.787 -20.260 -7.717 1.00 7.25 C ATOM 1912 C TRP A 141 -8.019 -18.902 -8.365 1.00 9.91 C ATOM 1913 O TRP A 141 -8.726 -18.059 -7.806 1.00 9.49 O ATOM 1914 CB TRP A 141 -7.732 -20.079 -6.200 1.00 8.01 C ATOM 1915 CG TRP A 141 -7.866 -21.340 -5.398 1.00 8.52 C ATOM 1916 CD1 TRP A 141 -9.028 -21.979 -5.072 1.00 7.90 C ATOM 1917 CD2 TRP A 141 -6.809 -22.103 -4.801 1.00 8.14 C ATOM 1918 NE1 TRP A 141 -8.764 -23.091 -4.322 1.00 9.20 N ATOM 1919 CE2 TRP A 141 -7.409 -23.196 -4.138 1.00 8.01 C ATOM 1920 CE3 TRP A 141 -5.413 -21.974 -4.765 1.00 7.74 C ATOM 1921 CZ2 TRP A 141 -6.666 -24.155 -3.449 1.00 8.45 C ATOM 1922 CZ3 TRP A 141 -4.679 -22.921 -4.084 1.00 9.69 C ATOM 1923 CH2 TRP A 141 -5.301 -23.999 -3.431 1.00 7.50 C ATOM 1924 H ATRP A 141 -5.714 -20.477 -7.830 0.01 7.96 H ATOM 1925 D BTRP A 141 -5.714 -20.477 -7.830 0.99 7.96 D ATOM 1926 HA TRP A 141 -8.630 -20.904 -7.966 1.00 10.75 H ATOM 1927 HB2 TRP A 141 -6.768 -19.633 -5.962 1.00 10.31 H ATOM 1928 HB3 TRP A 141 -8.524 -19.393 -5.897 1.00 10.13 H ATOM 1929 HD1 TRP A 141 -10.019 -21.666 -5.363 1.00 13.49 H ATOM 1930 HE1ATRP A 141 -9.461 -23.738 -3.958 0.85 9.22 H ATOM 1931 DE1BTRP A 141 -9.461 -23.738 -3.958 0.15 9.22 D ATOM 1932 HE3 TRP A 141 -4.906 -21.156 -5.259 1.00 10.23 H ATOM 1933 HZ2 TRP A 141 -7.150 -24.983 -2.947 1.00 11.70 H ATOM 1934 HZ3 TRP A 141 -3.605 -22.843 -4.040 1.00 7.46 H ATOM 1935 HH2 TRP A 141 -4.684 -24.716 -2.909 1.00 12.22 H ATOM 1936 N GLY A 142 -7.406 -18.666 -9.509 1.00 9.89 N ATOM 1937 CA GLY A 142 -7.534 -17.402 -10.197 1.00 8.45 C ATOM 1938 C GLY A 142 -8.852 -17.210 -10.927 1.00 9.24 C ATOM 1939 O GLY A 142 -9.730 -18.068 -10.968 1.00 10.71 O ATOM 1940 H AGLY A 142 -6.772 -19.325 -9.952 0.02 10.00 H ATOM 1941 D BGLY A 142 -6.772 -19.325 -9.952 0.98 10.00 D ATOM 1942 HA2 GLY A 142 -7.431 -16.589 -9.479 1.00 11.41 H ATOM 1943 HA3 GLY A 142 -6.732 -17.299 -10.926 1.00 11.35 H ATOM 1944 N ASN A 143 -8.966 -16.021 -11.515 1.00 10.63 N ATOM 1945 CA ASN A 143 -10.163 -15.603 -12.233 1.00 10.51 C ATOM 1946 C ASN A 143 -10.522 -16.626 -13.302 1.00 12.58 C ATOM 1947 O ASN A 143 -9.642 -17.192 -13.958 1.00 8.68 O ATOM 1948 CB ASN A 143 -9.859 -14.252 -12.878 1.00 11.91 C ATOM 1949 CG ASN A 143 -11.089 -13.573 -13.437 1.00 16.52 C ATOM 1950 OD1 ASN A 143 -12.209 -14.051 -13.284 1.00 17.16 O ATOM 1951 ND2 ASN A 143 -10.878 -12.433 -14.090 1.00 26.29 N ATOM 1952 H AASN A 143 -8.226 -15.323 -11.500 0.04 10.46 H ATOM 1953 D BASN A 143 -8.226 -15.323 -11.500 0.96 10.46 D ATOM 1954 HA ASN A 143 -11.000 -15.478 -11.546 1.00 15.25 H ATOM 1955 HB2 ASN A 143 -9.437 -13.591 -12.120 1.00 16.91 H ATOM 1956 HB3 ASN A 143 -9.146 -14.404 -13.689 1.00 17.02 H ATOM 1957 HD21AASN A 143 -9.923 -12.094 -14.194 0.07 17.97 H ATOM 1958 DD21BASN A 143 -9.923 -12.094 -14.194 0.93 17.97 D ATOM 1959 HD22AASN A 143 -11.658 -11.907 -14.490 0.41 19.00 H ATOM 1960 DD22BASN A 143 -11.658 -11.907 -14.490 0.59 19.00 D ATOM 1961 N THR A 144 -11.826 -16.872 -13.468 1.00 11.13 N ATOM 1962 CA THR A 144 -12.315 -17.839 -14.443 1.00 12.84 C ATOM 1963 C THR A 144 -12.902 -17.205 -15.698 1.00 14.18 C ATOM 1964 O THR A 144 -13.338 -17.936 -16.594 1.00 18.12 O ATOM 1965 CB THR A 144 -13.355 -18.779 -13.816 1.00 14.66 C ATOM 1966 OG1 THR A 144 -14.506 -18.036 -13.388 1.00 15.97 O ATOM 1967 CG2 THR A 144 -12.760 -19.526 -12.637 1.00 12.18 C ATOM 1968 H ATHR A 144 -12.563 -16.419 -12.923 0.00 15.59 H ATOM 1969 D BTHR A 144 -12.563 -16.419 -12.923 1.00 15.59 D ATOM 1970 HA THR A 144 -11.467 -18.430 -14.778 1.00 10.67 H ATOM 1971 HB THR A 144 -13.673 -19.498 -14.570 1.00 15.27 H ATOM 1972 HG1ATHR A 144 -14.346 -17.603 -12.525 0.17 15.07 H ATOM 1973 DG1BTHR A 144 -14.346 -17.603 -12.525 0.83 15.07 D ATOM 1974 HG21 THR A 144 -12.467 -18.811 -11.873 1.00 14.78 H ATOM 1975 HG22 THR A 144 -13.501 -20.214 -12.230 1.00 14.95 H ATOM 1976 HG23 THR A 144 -11.878 -20.081 -12.957 1.00 13.17 H ATOM 1977 N LYS A 145 -12.903 -15.884 -15.806 1.00 16.57 N ATOM 1978 CA LYS A 145 -13.475 -15.205 -16.964 1.00 20.90 C ATOM 1979 C LYS A 145 -12.415 -14.401 -17.704 1.00 23.06 C ATOM 1980 O LYS A 145 -11.515 -13.820 -17.089 1.00 20.67 O ATOM 1981 CB LYS A 145 -14.624 -14.282 -16.566 1.00 23.41 C ATOM 1982 CG LYS A 145 -15.844 -15.014 -16.033 1.00 27.80 C ATOM 1983 H ALYS A 145 -12.518 -15.265 -15.093 0.14 14.47 H ATOM 1984 D BLYS A 145 -12.518 -15.265 -15.093 0.86 14.47 D ATOM 1985 HA LYS A 145 -13.877 -15.936 -17.663 1.00 16.33 H ATOM 1986 N SER A 146 -12.542 -14.372 -19.035 1.00 21.27 N ATOM 1987 CA SER A 146 -11.641 -13.588 -19.873 1.00 25.07 C ATOM 1988 C SER A 146 -12.083 -12.137 -19.964 1.00 27.91 C ATOM 1989 O SER A 146 -11.249 -11.247 -20.159 1.00 28.60 O ATOM 1990 CB SER A 146 -11.569 -14.200 -21.273 1.00 26.16 C ATOM 1991 H ASER A 146 -13.258 -14.883 -19.551 0.29 18.12 H ATOM 1992 D BSER A 146 -13.258 -14.883 -19.551 0.71 18.12 D ATOM 1993 N SER A 147 -13.383 -11.888 -19.825 1.00 23.14 N ATOM 1994 CA SER A 147 -13.938 -10.541 -19.781 1.00 34.52 C ATOM 1995 C SER A 147 -14.859 -10.498 -18.574 1.00 33.10 C ATOM 1996 O SER A 147 -15.900 -11.164 -18.557 1.00 40.14 O ATOM 1997 CB SER A 147 -14.698 -10.216 -21.066 1.00 36.12 C ATOM 1998 OG SER A 147 -13.799 -9.950 -22.128 1.00 33.95 O ATOM 1999 H ASER A 147 -14.092 -12.616 -19.723 0.10 27.94 H ATOM 2000 D BSER A 147 -14.092 -12.616 -19.723 0.90 27.94 D ATOM 2001 N GLY A 148 -14.469 -9.741 -17.567 1.00 32.94 N ATOM 2002 CA GLY A 148 -15.162 -9.732 -16.301 1.00 43.40 C ATOM 2003 C GLY A 148 -14.330 -10.403 -15.226 1.00 29.54 C ATOM 2004 O GLY A 148 -13.168 -10.769 -15.426 1.00 24.45 O ATOM 2005 H AGLY A 148 -13.664 -9.114 -17.597 0.19 28.64 H ATOM 2006 D BGLY A 148 -13.664 -9.114 -17.597 0.81 28.64 D ATOM 2007 N THR A 149 -14.957 -10.575 -14.066 1.00 28.08 N ATOM 2008 CA THR A 149 -14.266 -11.070 -12.884 1.00 22.59 C ATOM 2009 C THR A 149 -15.201 -11.989 -12.117 1.00 24.17 C ATOM 2010 O THR A 149 -16.303 -11.587 -11.730 1.00 26.17 O ATOM 2011 CB THR A 149 -13.802 -9.913 -11.992 1.00 32.67 C ATOM 2012 H ATHR A 149 -15.949 -10.403 -13.922 0.02 21.04 H ATOM 2013 D BTHR A 149 -15.949 -10.403 -13.922 0.98 21.04 D ATOM 2014 N SER A 150 -14.764 -13.226 -11.914 1.00 17.64 N ATOM 2015 CA SER A 150 -15.462 -14.154 -11.034 1.00 17.94 C ATOM 2016 C SER A 150 -14.407 -15.102 -10.494 1.00 17.01 C ATOM 2017 O SER A 150 -13.810 -15.864 -11.257 1.00 15.67 O ATOM 2018 CB SER A 150 -16.555 -14.918 -11.767 1.00 23.02 C ATOM 2019 OG SER A 150 -17.295 -15.717 -10.854 1.00 16.45 O ATOM 2020 H ASER A 150 -13.918 -13.606 -12.341 0.25 16.51 H ATOM 2021 D BSER A 150 -13.918 -13.606 -12.341 0.75 16.51 D ATOM 2022 HB2 SER A 150 -17.224 -14.201 -12.237 1.00 23.00 H ATOM 2023 N TYR A 151 -14.167 -15.029 -9.207 1.00 14.72 N ATOM 2024 CA TYR A 151 -13.137 -15.845 -8.590 1.00 12.72 C ATOM 2025 C TYR A 151 -13.758 -17.063 -7.934 1.00 15.15 C ATOM 2026 O TYR A 151 -14.700 -16.926 -7.140 1.00 14.89 O ATOM 2027 CB TYR A 151 -12.366 -15.027 -7.559 1.00 14.42 C ATOM 2028 CG TYR A 151 -11.434 -14.032 -8.207 1.00 17.35 C ATOM 2029 CD1 TYR A 151 -11.910 -12.824 -8.698 1.00 20.52 C ATOM 2030 CD2 TYR A 151 -10.083 -14.305 -8.345 1.00 19.84 C ATOM 2031 CE1 TYR A 151 -11.067 -11.913 -9.308 1.00 23.59 C ATOM 2032 CE2 TYR A 151 -9.230 -13.405 -8.953 1.00 20.77 C ATOM 2033 CZ TYR A 151 -9.727 -12.208 -9.429 1.00 17.51 C ATOM 2034 OH TYR A 151 -8.872 -11.312 -10.033 1.00 21.98 O ATOM 2035 H ATYR A 151 -14.651 -14.398 -8.571 0.09 13.44 H ATOM 2036 D BTYR A 151 -14.651 -14.398 -8.571 0.91 13.44 D ATOM 2037 HA TYR A 151 -12.441 -16.161 -9.364 1.00 14.30 H ATOM 2038 HB2 TYR A 151 -13.061 -14.471 -6.931 1.00 19.03 H ATOM 2039 HB3 TYR A 151 -11.773 -15.710 -6.954 1.00 12.80 H ATOM 2040 HD2 TYR A 151 -9.691 -15.243 -7.983 1.00 20.31 H ATOM 2041 HE1 TYR A 151 -11.457 -10.975 -9.677 1.00 28.17 H ATOM 2042 HE2 TYR A 151 -8.180 -13.634 -9.057 1.00 25.76 H ATOM 2043 HH ATYR A 151 -9.373 -10.709 -10.630 0.14 26.24 H ATOM 2044 DH BTYR A 151 -9.373 -10.709 -10.630 0.86 26.24 D ATOM 2045 N PRO A 152 -13.280 -18.259 -8.249 1.00 14.08 N ATOM 2046 CA PRO A 152 -13.845 -19.462 -7.652 1.00 11.12 C ATOM 2047 C PRO A 152 -13.272 -19.653 -6.259 1.00 10.66 C ATOM 2048 O PRO A 152 -12.219 -19.122 -5.904 1.00 15.32 O ATOM 2049 CB PRO A 152 -13.334 -20.559 -8.591 1.00 10.56 C ATOM 2050 CG PRO A 152 -11.929 -20.074 -8.873 1.00 11.04 C ATOM 2051 CD PRO A 152 -12.050 -18.565 -9.003 1.00 11.78 C ATOM 2052 HA PRO A 152 -14.934 -19.436 -7.629 1.00 11.91 H ATOM 2053 HB2 PRO A 152 -13.344 -21.529 -8.092 1.00 14.70 H ATOM 2054 HB3 PRO A 152 -13.920 -20.586 -9.513 1.00 15.12 H ATOM 2055 HG2 PRO A 152 -11.294 -20.328 -8.022 1.00 11.04 H ATOM 2056 HG3 PRO A 152 -11.545 -20.514 -9.792 1.00 8.75 H ATOM 2057 HD2 PRO A 152 -11.197 -18.073 -8.538 1.00 14.36 H ATOM 2058 HD3 PRO A 152 -12.170 -18.264 -10.041 1.00 13.14 H ATOM 2059 N ASP A 153 -13.991 -20.422 -5.467 1.00 12.27 N ATOM 2060 CA ASP A 153 -13.505 -20.784 -4.146 1.00 11.98 C ATOM 2061 C ASP A 153 -12.823 -22.146 -4.110 1.00 10.51 C ATOM 2062 O ASP A 153 -12.056 -22.406 -3.183 1.00 9.85 O ATOM 2063 CB ASP A 153 -14.656 -20.719 -3.139 1.00 15.53 C ATOM 2064 CG ASP A 153 -15.213 -19.309 -3.009 1.00 26.37 C ATOM 2065 OD1 ASP A 153 -16.450 -19.150 -2.931 1.00 22.59 O ATOM 2066 OD2 ASP A 153 -14.401 -18.357 -3.002 1.00 26.30 O ATOM 2067 H AASP A 153 -14.906 -20.794 -5.720 0.04 12.07 H ATOM 2068 D BASP A 153 -14.906 -20.794 -5.720 0.96 12.07 D ATOM 2069 HA ASP A 153 -12.770 -20.041 -3.836 1.00 15.35 H ATOM 2070 HB3 ASP A 153 -14.280 -20.994 -2.156 1.00 12.47 H ATOM 2071 N VAL A 154 -13.032 -22.986 -5.126 1.00 10.48 N ATOM 2072 CA VAL A 154 -12.409 -24.298 -5.194 1.00 8.83 C ATOM 2073 C VAL A 154 -11.388 -24.299 -6.322 1.00 8.13 C ATOM 2074 O VAL A 154 -11.427 -23.476 -7.242 1.00 9.52 O ATOM 2075 CB VAL A 154 -13.420 -25.451 -5.369 1.00 13.73 C ATOM 2076 CG1 VAL A 154 -14.303 -25.578 -4.140 1.00 14.54 C ATOM 2077 CG2 VAL A 154 -14.251 -25.248 -6.625 1.00 12.86 C ATOM 2078 H AVAL A 154 -13.591 -22.753 -5.941 0.09 12.20 H ATOM 2079 D BVAL A 154 -13.591 -22.753 -5.941 0.91 12.20 D ATOM 2080 HA VAL A 154 -11.866 -24.491 -4.267 1.00 8.91 H ATOM 2081 HB VAL A 154 -12.866 -26.384 -5.479 1.00 12.57 H ATOM 2082 HG11 VAL A 154 -15.034 -26.366 -4.320 1.00 17.57 H ATOM 2083 HG12 VAL A 154 -13.688 -25.830 -3.276 1.00 17.17 H ATOM 2084 HG13 VAL A 154 -14.822 -24.638 -3.957 1.00 17.54 H ATOM 2085 HG21 VAL A 154 -14.940 -26.084 -6.734 1.00 14.13 H ATOM 2086 HG22 VAL A 154 -14.821 -24.324 -6.541 1.00 16.52 H ATOM 2087 HG23 VAL A 154 -13.592 -25.199 -7.494 1.00 16.70 H ATOM 2088 N LEU A 155 -10.483 -25.271 -6.260 1.00 6.72 N ATOM 2089 CA LEU A 155 -9.353 -25.299 -7.171 1.00 6.75 C ATOM 2090 C LEU A 155 -9.807 -25.713 -8.566 1.00 7.11 C ATOM 2091 O LEU A 155 -10.575 -26.663 -8.729 1.00 6.05 O ATOM 2092 CB LEU A 155 -8.281 -26.257 -6.652 1.00 7.09 C ATOM 2093 CG LEU A 155 -6.915 -26.261 -7.362 1.00 7.45 C ATOM 2094 CD1 LEU A 155 -6.178 -24.954 -7.170 1.00 9.77 C ATOM 2095 CD2 LEU A 155 -6.071 -27.421 -6.844 1.00 11.51 C ATOM 2096 H ALEU A 155 -10.490 -26.030 -5.577 0.72 9.78 H ATOM 2097 D BLEU A 155 -10.490 -26.030 -5.577 0.28 9.78 D ATOM 2098 HA LEU A 155 -8.907 -24.309 -7.228 1.00 9.45 H ATOM 2099 HB2 LEU A 155 -8.081 -26.002 -5.614 1.00 9.74 H ATOM 2100 HB3 LEU A 155 -8.698 -27.264 -6.686 1.00 10.75 H ATOM 2101 HG LEU A 155 -7.081 -26.403 -8.428 1.00 11.79 H ATOM 2102 HD11 LEU A 155 -5.247 -24.950 -7.742 1.00 9.84 H ATOM 2103 HD12 LEU A 155 -6.807 -24.115 -7.462 1.00 10.62 H ATOM 2104 HD13 LEU A 155 -5.949 -24.857 -6.114 1.00 9.88 H ATOM 2105 HD21 LEU A 155 -5.089 -27.405 -7.310 1.00 14.46 H ATOM 2106 HD22 LEU A 155 -5.966 -27.321 -5.765 1.00 11.73 H ATOM 2107 HD23 LEU A 155 -6.574 -28.360 -7.073 1.00 8.80 H ATOM 2108 N LYS A 156 -9.306 -25.002 -9.572 1.00 7.42 N ATOM 2109 CA LYS A 156 -9.593 -25.286 -10.968 1.00 8.24 C ATOM 2110 C LYS A 156 -8.341 -25.807 -11.654 1.00 9.18 C ATOM 2111 O LYS A 156 -7.218 -25.492 -11.256 1.00 7.91 O ATOM 2112 CB LYS A 156 -10.074 -24.036 -11.706 1.00 8.52 C ATOM 2113 CG LYS A 156 -11.380 -23.480 -11.167 1.00 9.49 C ATOM 2114 CD LYS A 156 -12.541 -24.382 -11.532 1.00 16.89 C ATOM 2115 CE LYS A 156 -13.848 -23.850 -10.990 1.00 21.22 C ATOM 2116 NZ LYS A 156 -15.020 -24.680 -11.406 1.00 19.98 N ATOM 2117 H ALYS A 156 -8.707 -24.191 -9.445 1.00 7.71 H ATOM 2118 D BLYS A 156 -8.707 -24.191 -9.445 0.00 7.71 D ATOM 2119 HA LYS A 156 -10.377 -26.042 -11.024 1.00 7.56 H ATOM 2120 HB2 LYS A 156 -9.329 -23.249 -11.616 1.00 10.21 H ATOM 2121 HB3 LYS A 156 -10.222 -24.279 -12.761 1.00 8.81 H ATOM 2122 HG2 LYS A 156 -11.329 -23.404 -10.080 1.00 15.17 H ATOM 2123 HG3 LYS A 156 -11.574 -22.497 -11.596 1.00 12.22 H ATOM 2124 HD2 LYS A 156 -12.628 -24.459 -12.616 1.00 17.87 H ATOM 2125 HD3 LYS A 156 -12.368 -25.365 -11.102 1.00 13.87 H ATOM 2126 HE2 LYS A 156 -13.810 -23.837 -9.903 1.00 18.79 H ATOM 2127 HE3 LYS A 156 -13.999 -22.838 -11.364 1.00 19.99 H ATOM 2128 HZ1ALYS A 156 -15.861 -24.311 -10.922 0.31 19.80 H ATOM 2129 DZ1BLYS A 156 -15.861 -24.311 -10.922 0.69 19.80 D ATOM 2130 HZ2ALYS A 156 -15.149 -24.627 -12.436 0.02 19.95 H ATOM 2131 DZ2BLYS A 156 -15.149 -24.627 -12.436 0.98 19.95 D ATOM 2132 HZ3ALYS A 156 -14.897 -25.680 -11.145 0.16 19.71 H ATOM 2133 DZ3BLYS A 156 -14.897 -25.680 -11.145 0.84 19.71 D ATOM 2134 N CYS A 157 -8.564 -26.602 -12.692 1.00 8.55 N ATOM 2135 CA CYS A 157 -7.508 -27.306 -13.396 1.00 6.34 C ATOM 2136 C CYS A 157 -7.668 -27.100 -14.892 1.00 7.72 C ATOM 2137 O CYS A 157 -8.778 -26.924 -15.399 1.00 9.47 O ATOM 2138 CB CYS A 157 -7.578 -28.807 -13.097 1.00 7.56 C ATOM 2139 SG CYS A 157 -6.764 -29.303 -11.556 1.00 9.66 S ATOM 2140 H ACYS A 157 -9.497 -26.803 -13.055 0.89 10.85 H ATOM 2141 D BCYS A 157 -9.497 -26.803 -13.055 0.11 10.85 D ATOM 2142 HA CYS A 157 -6.528 -26.932 -13.094 1.00 8.83 H ATOM 2143 HB2 CYS A 157 -8.623 -29.121 -13.057 1.00 11.05 H ATOM 2144 HB3 CYS A 157 -7.078 -29.359 -13.888 1.00 8.86 H ATOM 2145 N LEU A 158 -6.539 -27.119 -15.592 1.00 6.70 N ATOM 2146 CA LEU A 158 -6.528 -27.016 -17.043 1.00 7.27 C ATOM 2147 C LEU A 158 -5.430 -27.914 -17.578 1.00 7.86 C ATOM 2148 O LEU A 158 -4.306 -27.892 -17.067 1.00 12.71 O ATOM 2149 CB LEU A 158 -6.241 -25.570 -17.469 1.00 8.10 C ATOM 2150 CG LEU A 158 -6.083 -25.296 -18.967 1.00 12.64 C ATOM 2151 CD1 LEU A 158 -7.363 -25.600 -19.708 1.00 14.22 C ATOM 2152 CD2 LEU A 158 -5.635 -23.860 -19.215 1.00 14.36 C ATOM 2153 H ALEU A 158 -5.608 -27.136 -15.172 1.00 9.94 H ATOM 2154 D BLEU A 158 -5.608 -27.136 -15.172 0.00 9.94 D ATOM 2155 HA LEU A 158 -7.477 -27.355 -17.458 1.00 12.72 H ATOM 2156 HB2 LEU A 158 -7.029 -24.922 -17.093 1.00 10.89 H ATOM 2157 HB3 LEU A 158 -5.304 -25.279 -16.990 1.00 10.32 H ATOM 2158 HG LEU A 158 -5.315 -25.960 -19.364 1.00 15.61 H ATOM 2159 HD11 LEU A 158 -8.123 -24.881 -19.407 1.00 17.04 H ATOM 2160 HD12 LEU A 158 -7.184 -25.521 -20.781 1.00 17.06 H ATOM 2161 HD13 LEU A 158 -7.675 -26.612 -19.459 1.00 16.44 H ATOM 2162 HD21 LEU A 158 -5.682 -23.665 -20.286 1.00 18.54 H ATOM 2163 HD22 LEU A 158 -6.284 -23.169 -18.679 1.00 18.35 H ATOM 2164 HD23 LEU A 158 -4.610 -23.739 -18.864 1.00 18.02 H ATOM 2165 N LYS A 159 -5.751 -28.693 -18.607 1.00 8.21 N ATOM 2166 CA LYS A 159 -4.749 -29.436 -19.353 1.00 9.85 C ATOM 2167 C LYS A 159 -4.390 -28.644 -20.604 1.00 10.16 C ATOM 2168 O LYS A 159 -5.280 -28.182 -21.326 1.00 12.25 O ATOM 2169 CB LYS A 159 -5.257 -30.835 -19.714 1.00 10.93 C ATOM 2170 CG LYS A 159 -5.406 -31.732 -18.505 1.00 13.99 C ATOM 2171 CD LYS A 159 -5.844 -33.144 -18.872 1.00 13.18 C ATOM 2172 CE LYS A 159 -5.930 -34.018 -17.643 1.00 17.14 C ATOM 2173 NZ LYS A 159 -6.300 -35.423 -17.991 1.00 14.94 N ATOM 2174 H ALYS A 159 -6.705 -28.808 -18.951 0.02 12.41 H ATOM 2175 D BLYS A 159 -6.705 -28.808 -18.951 0.98 12.41 D ATOM 2176 HA LYS A 159 -3.863 -29.554 -18.734 1.00 13.10 H ATOM 2177 HB2 LYS A 159 -6.228 -30.782 -20.207 1.00 13.99 H ATOM 2178 HB3 LYS A 159 -4.527 -31.300 -20.375 1.00 15.83 H ATOM 2179 HG2 LYS A 159 -4.449 -31.792 -17.987 1.00 19.03 H ATOM 2180 HG3 LYS A 159 -6.151 -31.304 -17.837 1.00 14.07 H ATOM 2181 HD2 LYS A 159 -6.814 -33.122 -19.372 1.00 14.32 H ATOM 2182 HD3 LYS A 159 -5.090 -33.576 -19.529 1.00 16.07 H ATOM 2183 HE2 LYS A 159 -4.951 -34.034 -17.165 1.00 19.73 H ATOM 2184 HE3 LYS A 159 -6.677 -33.614 -16.962 1.00 17.74 H ATOM 2185 HZ1ALYS A 159 -6.440 -35.977 -17.123 0.22 13.79 H ATOM 2186 DZ1BLYS A 159 -6.440 -35.977 -17.123 0.78 13.79 D ATOM 2187 HZ2ALYS A 159 -7.184 -35.419 -18.535 0.25 12.74 H ATOM 2188 DZ2BLYS A 159 -7.184 -35.419 -18.535 0.75 12.74 D ATOM 2189 HZ3ALYS A 159 -5.545 -35.860 -18.555 0.13 14.88 H ATOM 2190 DZ3BLYS A 159 -5.545 -35.860 -18.555 0.87 14.88 D ATOM 2191 N ALA A 160 -3.093 -28.453 -20.834 1.00 11.19 N ATOM 2192 CA ALA A 160 -2.635 -27.580 -21.898 1.00 12.20 C ATOM 2193 C ALA A 160 -1.275 -28.060 -22.367 1.00 10.54 C ATOM 2194 O ALA A 160 -0.473 -28.526 -21.550 1.00 11.86 O ATOM 2195 CB ALA A 160 -2.503 -26.143 -21.384 1.00 15.35 C ATOM 2196 H AALA A 160 -2.342 -28.890 -20.300 0.59 11.48 H ATOM 2197 D BALA A 160 -2.342 -28.890 -20.300 0.41 11.48 D ATOM 2198 HA ALA A 160 -3.353 -27.608 -22.715 1.00 16.37 H ATOM 2199 HB1 ALA A 160 -2.074 -25.520 -22.167 1.00 15.41 H ATOM 2200 HB2 ALA A 160 -3.481 -25.764 -21.097 1.00 15.27 H ATOM 2201 HB3 ALA A 160 -1.845 -26.153 -20.514 1.00 17.94 H ATOM 2202 N PRO A 161 -0.973 -27.940 -23.658 1.00 9.79 N ATOM 2203 CA PRO A 161 0.353 -28.313 -24.145 1.00 11.18 C ATOM 2204 C PRO A 161 1.334 -27.153 -24.137 1.00 9.70 C ATOM 2205 O PRO A 161 0.973 -25.979 -24.240 1.00 11.35 O ATOM 2206 CB PRO A 161 0.058 -28.728 -25.591 1.00 12.75 C ATOM 2207 CG PRO A 161 -0.998 -27.796 -26.003 1.00 13.71 C ATOM 2208 CD PRO A 161 -1.867 -27.579 -24.773 1.00 12.05 C ATOM 2209 HA PRO A 161 0.771 -29.156 -23.597 1.00 11.21 H ATOM 2210 HB2 PRO A 161 0.946 -28.627 -26.213 1.00 16.65 H ATOM 2211 HB3 PRO A 161 -0.307 -29.754 -25.612 1.00 16.56 H ATOM 2212 HG2 PRO A 161 -0.540 -26.856 -26.311 1.00 16.79 H ATOM 2213 HG3 PRO A 161 -1.574 -28.227 -26.821 1.00 14.10 H ATOM 2214 HD2 PRO A 161 -2.138 -26.527 -24.697 1.00 15.39 H ATOM 2215 HD3 PRO A 161 -2.751 -28.216 -24.801 1.00 15.29 H ATOM 2216 N ILE A 162 2.605 -27.524 -24.006 1.00 9.78 N ATOM 2217 CA ILE A 162 3.694 -26.583 -24.208 1.00 7.37 C ATOM 2218 C ILE A 162 3.779 -26.251 -25.691 1.00 12.38 C ATOM 2219 O ILE A 162 3.734 -27.143 -26.545 1.00 12.40 O ATOM 2220 CB ILE A 162 5.006 -27.177 -23.675 1.00 12.25 C ATOM 2221 CG1 ILE A 162 4.914 -27.356 -22.156 1.00 11.80 C ATOM 2222 CG2 ILE A 162 6.188 -26.280 -24.030 1.00 11.29 C ATOM 2223 CD1 ILE A 162 6.120 -28.050 -21.543 1.00 15.39 C ATOM 2224 H AILE A 162 2.902 -28.468 -23.775 0.02 12.33 H ATOM 2225 D BILE A 162 2.902 -28.468 -23.775 0.98 12.33 D ATOM 2226 HA ILE A 162 3.479 -25.679 -23.649 1.00 10.17 H ATOM 2227 HB ILE A 162 5.154 -28.151 -24.145 1.00 12.23 H ATOM 2228 HG12 ILE A 162 4.805 -26.373 -21.697 1.00 13.54 H ATOM 2229 HG13 ILE A 162 4.040 -27.969 -21.929 1.00 17.22 H ATOM 2230 HG21 ILE A 162 7.108 -26.748 -23.686 1.00 14.89 H ATOM 2231 HG22 ILE A 162 6.246 -26.124 -25.106 1.00 13.25 H ATOM 2232 HG23 ILE A 162 6.060 -25.323 -23.524 1.00 10.56 H ATOM 2233 HD11 ILE A 162 5.870 -28.393 -20.539 1.00 16.79 H ATOM 2234 HD12 ILE A 162 6.377 -28.902 -22.173 1.00 15.75 H ATOM 2235 HD13 ILE A 162 6.963 -27.360 -21.486 1.00 15.99 H ATOM 2236 N LEU A 163 3.887 -24.967 -26.005 1.00 12.33 N ATOM 2237 CA LEU A 163 3.947 -24.537 -27.394 1.00 12.81 C ATOM 2238 C LEU A 163 5.400 -24.407 -27.837 1.00 12.43 C ATOM 2239 O LEU A 163 6.315 -24.274 -27.023 1.00 12.96 O ATOM 2240 CB LEU A 163 3.220 -23.202 -27.574 1.00 10.04 C ATOM 2241 CG LEU A 163 1.743 -23.174 -27.145 1.00 18.21 C ATOM 2242 CD1 LEU A 163 1.168 -21.776 -27.288 1.00 19.18 C ATOM 2243 CD2 LEU A 163 0.914 -24.171 -27.913 1.00 17.27 C ATOM 2244 H ALEU A 163 3.968 -24.220 -25.315 1.00 11.06 H ATOM 2245 D BLEU A 163 3.968 -24.220 -25.315 0.00 11.06 D ATOM 2246 HA LEU A 163 3.452 -25.284 -28.012 1.00 15.26 H ATOM 2247 HB2 LEU A 163 3.730 -22.480 -26.935 1.00 12.42 H ATOM 2248 HB3 LEU A 163 3.286 -22.884 -28.617 1.00 15.08 H ATOM 2249 HG LEU A 163 1.677 -23.445 -26.093 1.00 16.35 H ATOM 2250 HD11 LEU A 163 0.197 -21.708 -26.796 1.00 19.75 H ATOM 2251 HD12 LEU A 163 1.861 -21.066 -26.841 1.00 15.36 H ATOM 2252 HD13 LEU A 163 1.048 -21.539 -28.342 1.00 23.34 H ATOM 2253 HD21 LEU A 163 -0.072 -23.751 -28.111 1.00 22.51 H ATOM 2254 HD22 LEU A 163 1.413 -24.401 -28.853 1.00 22.14 H ATOM 2255 HD23 LEU A 163 0.813 -25.072 -27.312 1.00 25.17 H ATOM 2256 N SER A 164 5.607 -24.454 -29.152 1.00 11.96 N ATOM 2257 CA SER A 164 6.951 -24.324 -29.690 1.00 17.24 C ATOM 2258 C SER A 164 7.507 -22.946 -29.365 1.00 19.02 C ATOM 2259 O SER A 164 6.772 -21.962 -29.253 1.00 15.35 O ATOM 2260 CB SER A 164 6.945 -24.528 -31.206 1.00 18.23 C ATOM 2261 OG SER A 164 6.333 -23.434 -31.866 1.00 16.45 O ATOM 2262 H ASER A 164 4.884 -24.571 -29.853 0.01 15.62 H ATOM 2263 D BSER A 164 4.884 -24.571 -29.853 0.99 15.62 D ATOM 2264 HA SER A 164 7.606 -25.074 -29.254 1.00 21.88 H ATOM 2265 HB2 SER A 164 7.974 -24.613 -31.552 1.00 22.28 H ATOM 2266 HB3 SER A 164 6.409 -25.445 -31.446 1.00 16.25 H ATOM 2267 HG ASER A 164 5.905 -23.729 -32.698 0.14 21.85 H ATOM 2268 DG BSER A 164 5.905 -23.729 -32.698 0.86 21.85 D ATOM 2269 N ASP A 165 8.826 -22.887 -29.204 1.00 16.71 N ATOM 2270 CA ASP A 165 9.476 -21.607 -28.946 1.00 17.14 C ATOM 2271 C ASP A 165 9.183 -20.616 -30.065 1.00 18.79 C ATOM 2272 O ASP A 165 9.002 -19.418 -29.816 1.00 15.03 O ATOM 2273 CB ASP A 165 10.981 -21.808 -28.772 1.00 22.94 C ATOM 2274 CG ASP A 165 11.331 -22.486 -27.456 1.00 31.22 C ATOM 2275 OD1 ASP A 165 10.553 -22.344 -26.485 1.00 33.47 O ATOM 2276 OD2 ASP A 165 12.386 -23.154 -27.387 1.00 38.61 O ATOM 2277 H AASP A 165 9.445 -23.698 -29.236 0.02 20.59 H ATOM 2278 D BASP A 165 9.445 -23.698 -29.236 0.98 20.59 D ATOM 2279 HA ASP A 165 9.080 -21.189 -28.022 1.00 15.66 H ATOM 2280 N SER A 166 9.110 -21.107 -31.304 1.00 21.15 N ATOM 2281 CA SER A 166 8.807 -20.247 -32.446 1.00 17.34 C ATOM 2282 C SER A 166 7.430 -19.603 -32.322 1.00 14.75 C ATOM 2283 O SER A 166 7.270 -18.403 -32.572 1.00 16.46 O ATOM 2284 CB SER A 166 8.917 -21.049 -33.742 1.00 21.10 C ATOM 2285 H ASER A 166 9.278 -22.083 -31.550 0.17 15.35 H ATOM 2286 D BSER A 166 9.278 -22.083 -31.550 0.83 15.35 D ATOM 2287 N SER A 167 6.412 -20.388 -31.956 1.00 13.15 N ATOM 2288 CA SER A 167 5.071 -19.830 -31.836 1.00 14.35 C ATOM 2289 C SER A 167 4.992 -18.874 -30.659 1.00 14.03 C ATOM 2290 O SER A 167 4.273 -17.870 -30.718 1.00 16.23 O ATOM 2291 CB SER A 167 4.045 -20.948 -31.672 1.00 16.97 C ATOM 2292 H ASER A 167 6.496 -21.377 -31.732 0.05 13.55 H ATOM 2293 D BSER A 167 6.496 -21.377 -31.732 0.95 13.55 D ATOM 2294 HA SER A 167 4.836 -19.270 -32.739 1.00 12.73 H ATOM 2295 N CYS A 168 5.732 -19.169 -29.594 1.00 13.77 N ATOM 2296 CA CYS A 168 5.729 -18.326 -28.406 1.00 12.81 C ATOM 2297 C CYS A 168 6.361 -16.971 -28.708 1.00 13.69 C ATOM 2298 O CYS A 168 5.807 -15.922 -28.367 1.00 13.81 O ATOM 2299 CB CYS A 168 6.482 -19.064 -27.294 1.00 11.42 C ATOM 2300 SG CYS A 168 6.466 -18.290 -25.667 1.00 11.38 S ATOM 2301 H ACYS A 168 6.352 -19.976 -29.520 0.00 12.19 H ATOM 2302 D BCYS A 168 6.352 -19.976 -29.520 1.00 12.19 D ATOM 2303 HA CYS A 168 4.704 -18.156 -28.077 1.00 12.98 H ATOM 2304 HB2 CYS A 168 6.053 -20.064 -27.167 1.00 12.14 H ATOM 2305 HB3 CYS A 168 7.523 -19.152 -27.610 1.00 13.17 H ATOM 2306 N LYS A 169 7.521 -16.979 -29.365 1.00 14.10 N ATOM 2307 CA LYS A 169 8.183 -15.728 -29.733 1.00 13.88 C ATOM 2308 C LYS A 169 7.384 -14.939 -30.760 1.00 18.92 C ATOM 2309 O LYS A 169 7.428 -13.704 -30.761 1.00 23.53 O ATOM 2310 CB LYS A 169 9.586 -16.021 -30.259 1.00 16.88 C ATOM 2311 CG LYS A 169 10.536 -16.553 -29.202 1.00 17.45 C ATOM 2312 CD LYS A 169 11.934 -16.740 -29.748 1.00 21.39 C ATOM 2313 H ALYS A 169 8.027 -17.826 -29.621 0.00 17.95 H ATOM 2314 D BLYS A 169 8.027 -17.826 -29.621 1.00 17.95 D ATOM 2315 HA LYS A 169 8.289 -15.096 -28.853 1.00 12.99 H ATOM 2316 HB2 LYS A 169 9.511 -16.775 -31.041 1.00 15.45 H ATOM 2317 HB3 LYS A 169 10.007 -15.107 -30.677 1.00 16.65 H ATOM 2318 HG2 LYS A 169 10.586 -15.841 -28.380 1.00 16.43 H ATOM 2319 HG3 LYS A 169 10.161 -17.510 -28.840 1.00 19.16 H ATOM 2320 HD2 LYS A 169 11.880 -17.333 -30.660 1.00 27.19 H ATOM 2321 HD3 LYS A 169 12.363 -15.761 -29.967 1.00 17.94 H ATOM 2322 N SER A 170 6.668 -15.625 -31.646 1.00 14.51 N ATOM 2323 CA SER A 170 5.827 -14.930 -32.617 1.00 17.11 C ATOM 2324 C SER A 170 4.630 -14.260 -31.952 1.00 15.70 C ATOM 2325 O SER A 170 4.180 -13.203 -32.410 1.00 21.92 O ATOM 2326 CB SER A 170 5.358 -15.910 -33.690 1.00 22.25 C ATOM 2327 H ASER A 170 6.654 -16.644 -31.709 0.02 14.01 H ATOM 2328 D BSER A 170 6.654 -16.644 -31.709 0.98 14.01 D ATOM 2329 HA SER A 170 6.416 -14.154 -33.104 1.00 19.29 H ATOM 2330 HB2 SER A 170 5.264 -16.892 -33.229 1.00 18.35 H ATOM 2331 N ALA A 171 4.101 -14.853 -30.874 1.00 16.24 N ATOM 2332 CA ALA A 171 2.989 -14.243 -30.153 1.00 15.48 C ATOM 2333 C ALA A 171 3.437 -13.035 -29.340 1.00 16.61 C ATOM 2334 O ALA A 171 2.664 -12.086 -29.166 1.00 13.73 O ATOM 2335 CB ALA A 171 2.339 -15.272 -29.229 1.00 14.98 C ATOM 2336 H AALA A 171 4.422 -15.738 -30.480 0.10 18.75 H ATOM 2337 D BALA A 171 4.422 -15.738 -30.480 0.90 18.75 D ATOM 2338 HA ALA A 171 2.244 -13.900 -30.869 1.00 15.07 H ATOM 2339 HB1 ALA A 171 1.748 -15.971 -29.819 1.00 20.09 H ATOM 2340 HB2 ALA A 171 3.130 -15.804 -28.698 1.00 16.96 H ATOM 2341 HB3 ALA A 171 1.692 -14.760 -28.517 1.00 19.35 H ATOM 2342 N TYR A 172 4.671 -13.043 -28.846 1.00 12.93 N ATOM 2343 CA TYR A 172 5.174 -11.999 -27.956 1.00 11.75 C ATOM 2344 C TYR A 172 6.538 -11.535 -28.460 1.00 11.22 C ATOM 2345 O TYR A 172 7.574 -11.820 -27.846 1.00 11.90 O ATOM 2346 CB TYR A 172 5.293 -12.519 -26.521 1.00 12.25 C ATOM 2347 CG TYR A 172 3.987 -12.859 -25.829 1.00 11.42 C ATOM 2348 CD1 TYR A 172 3.165 -11.857 -25.348 1.00 14.68 C ATOM 2349 CD2 TYR A 172 3.589 -14.175 -25.640 1.00 10.41 C ATOM 2350 CE1 TYR A 172 1.977 -12.148 -24.707 1.00 14.47 C ATOM 2351 CE2 TYR A 172 2.407 -14.480 -25.000 1.00 11.69 C ATOM 2352 CZ TYR A 172 1.604 -13.461 -24.533 1.00 13.46 C ATOM 2353 OH TYR A 172 0.428 -13.742 -23.889 1.00 13.29 O ATOM 2354 H ATYR A 172 5.360 -13.767 -29.056 0.62 15.36 H ATOM 2355 D BTYR A 172 5.360 -13.767 -29.056 0.38 15.36 D ATOM 2356 HA TYR A 172 4.492 -11.146 -27.967 1.00 14.80 H ATOM 2357 HB2 TYR A 172 5.929 -13.405 -26.510 1.00 14.70 H ATOM 2358 HB3 TYR A 172 5.759 -11.731 -25.936 1.00 13.52 H ATOM 2359 HD1 TYR A 172 3.459 -10.827 -25.480 1.00 18.07 H ATOM 2360 HD2 TYR A 172 4.216 -14.975 -26.000 1.00 11.52 H ATOM 2361 HE1 TYR A 172 1.359 -11.344 -24.340 1.00 14.31 H ATOM 2362 HE2 TYR A 172 2.108 -15.509 -24.861 1.00 15.44 H ATOM 2363 HH ATYR A 172 0.400 -14.683 -23.629 0.18 11.51 H ATOM 2364 DH BTYR A 172 0.400 -14.683 -23.629 0.82 11.51 D ATOM 2365 N PRO A 173 6.577 -10.828 -29.586 1.00 11.75 N ATOM 2366 CA PRO A 173 7.863 -10.389 -30.142 1.00 19.79 C ATOM 2367 C PRO A 173 8.688 -9.620 -29.124 1.00 12.60 C ATOM 2368 O PRO A 173 8.192 -8.713 -28.455 1.00 18.92 O ATOM 2369 CB PRO A 173 7.442 -9.473 -31.293 1.00 12.65 C ATOM 2370 CG PRO A 173 6.126 -9.986 -31.717 1.00 19.61 C ATOM 2371 CD PRO A 173 5.448 -10.449 -30.456 1.00 20.45 C ATOM 2372 HA PRO A 173 8.451 -11.224 -30.538 1.00 15.53 H ATOM 2373 HB2 PRO A 173 7.341 -8.450 -30.930 1.00 18.45 H ATOM 2374 HB3 PRO A 173 8.180 -9.515 -32.093 1.00 21.04 H ATOM 2375 HG2 PRO A 173 5.553 -9.199 -32.209 1.00 21.85 H ATOM 2376 HG3 PRO A 173 6.273 -10.821 -32.402 1.00 22.09 H ATOM 2377 HD3 PRO A 173 4.858 -11.329 -30.697 1.00 19.13 H ATOM 2378 N GLY A 174 9.958 -9.999 -29.007 1.00 14.59 N ATOM 2379 CA GLY A 174 10.910 -9.282 -28.185 1.00 15.12 C ATOM 2380 C GLY A 174 10.767 -9.475 -26.693 1.00 16.50 C ATOM 2381 O GLY A 174 11.485 -8.816 -25.931 1.00 20.27 O ATOM 2382 H AGLY A 174 10.339 -10.836 -29.448 0.07 15.79 H ATOM 2383 D BGLY A 174 10.339 -10.836 -29.448 0.93 15.79 D ATOM 2384 HA2 GLY A 174 11.913 -9.585 -28.466 1.00 20.34 H ATOM 2385 HA3 GLY A 174 10.832 -8.213 -28.379 1.00 15.45 H ATOM 2386 N GLN A 175 9.857 -10.341 -26.246 1.00 15.08 N ATOM 2387 CA GLN A 175 9.533 -10.464 -24.828 1.00 12.20 C ATOM 2388 C GLN A 175 9.875 -11.815 -24.207 1.00 14.07 C ATOM 2389 O GLN A 175 9.851 -11.927 -22.977 1.00 13.77 O ATOM 2390 CB AGLN A 175 8.039 -10.182 -24.606 0.75 12.43 C ATOM 2391 CB CGLN A 175 8.042 -10.177 -24.586 0.25 12.62 C ATOM 2392 CG AGLN A 175 7.611 -8.789 -25.061 0.75 13.01 C ATOM 2393 CG CGLN A 175 7.691 -8.696 -24.539 0.25 15.09 C ATOM 2394 CD AGLN A 175 6.135 -8.682 -25.384 0.75 15.41 C ATOM 2395 CD CGLN A 175 6.302 -8.441 -23.986 0.25 13.65 C ATOM 2396 OE1AGLN A 175 5.288 -8.626 -24.489 0.75 17.29 O ATOM 2397 OE1CGLN A 175 5.322 -8.404 -24.730 0.25 16.94 O ATOM 2398 NE2AGLN A 175 5.818 -8.648 -26.676 0.75 12.51 N ATOM 2399 NE2CGLN A 175 6.211 -8.263 -22.672 0.25 13.83 N ATOM 2400 H AGLN A 175 9.297 -10.921 -26.870 0.12 13.85 H ATOM 2401 D BGLN A 175 9.297 -10.921 -26.870 0.88 13.85 D ATOM 2402 HA GLN A 175 10.101 -9.716 -24.276 1.00 13.36 H ATOM 2403 HB2AGLN A 175 7.462 -10.913 -25.171 0.75 14.35 H ATOM 2404 HB2CGLN A 175 7.469 -10.624 -25.397 0.25 13.97 H ATOM 2405 HB3AGLN A 175 7.820 -10.261 -23.540 0.75 15.19 H ATOM 2406 HB3CGLN A 175 7.748 -10.620 -23.634 0.25 15.07 H ATOM 2407 HG3AGLN A 175 8.155 -8.517 -25.965 0.75 13.25 H ATOM 2408 HG3CGLN A 175 7.731 -8.283 -25.547 0.25 12.63 H ATOM 2409 DE21AGLN A 175 4.842 -8.670 -26.963 0.75 18.41 D ATOM 2410 DE21CGLN A 175 5.303 -8.315 -22.212 0.25 16.70 D ATOM 2411 DE22AGLN A 175 6.553 -8.613 -27.387 0.75 12.80 D ATOM 2412 DE22CGLN A 175 7.048 -8.075 -22.120 0.25 19.29 D ATOM 2413 N ILE A 176 10.187 -12.835 -24.999 1.00 12.44 N ATOM 2414 CA ILE A 176 10.389 -14.191 -24.489 1.00 11.27 C ATOM 2415 C ILE A 176 11.885 -14.433 -24.364 1.00 11.64 C ATOM 2416 O ILE A 176 12.626 -14.310 -25.346 1.00 11.60 O ATOM 2417 CB ILE A 176 9.735 -15.237 -25.410 1.00 11.78 C ATOM 2418 CG1 ILE A 176 8.239 -14.957 -25.586 1.00 11.03 C ATOM 2419 CG2 ILE A 176 9.947 -16.654 -24.871 1.00 11.28 C ATOM 2420 CD1 ILE A 176 7.414 -14.954 -24.322 1.00 11.15 C ATOM 2421 H AILE A 176 10.317 -12.755 -26.004 0.08 11.72 H ATOM 2422 D BILE A 176 10.317 -12.755 -26.004 0.92 11.72 D ATOM 2423 HA ILE A 176 9.956 -14.282 -23.492 1.00 10.11 H ATOM 2424 HB ILE A 176 10.211 -15.183 -26.389 1.00 12.99 H ATOM 2425 HG12 ILE A 176 8.114 -13.991 -26.067 1.00 12.02 H ATOM 2426 HG13 ILE A 176 7.816 -15.720 -26.234 1.00 12.89 H ATOM 2427 HG21 ILE A 176 9.380 -17.343 -25.496 1.00 16.48 H ATOM 2428 HG22 ILE A 176 11.007 -16.915 -24.896 1.00 17.58 H ATOM 2429 HG23 ILE A 176 9.578 -16.691 -23.848 1.00 18.21 H ATOM 2430 HD11 ILE A 176 6.440 -14.521 -24.543 1.00 17.63 H ATOM 2431 HD12 ILE A 176 7.285 -15.975 -23.972 1.00 15.34 H ATOM 2432 HD13 ILE A 176 7.909 -14.370 -23.550 1.00 13.80 H ATOM 2433 N THR A 177 12.330 -14.778 -23.159 1.00 11.38 N ATOM 2434 CA THR A 177 13.709 -15.160 -22.909 1.00 11.80 C ATOM 2435 C THR A 177 13.821 -16.680 -22.841 1.00 10.29 C ATOM 2436 O THR A 177 12.832 -17.409 -22.889 1.00 9.22 O ATOM 2437 CB THR A 177 14.219 -14.541 -21.601 1.00 12.51 C ATOM 2438 OG1 THR A 177 13.564 -15.163 -20.488 1.00 11.95 O ATOM 2439 CG2 THR A 177 13.960 -13.038 -21.557 1.00 11.28 C ATOM 2440 H ATHR A 177 11.736 -14.802 -22.337 0.06 11.63 H ATOM 2441 D BTHR A 177 11.736 -14.802 -22.337 0.94 11.63 D ATOM 2442 HA THR A 177 14.347 -14.811 -23.719 1.00 12.91 H ATOM 2443 HB THR A 177 15.296 -14.691 -21.511 1.00 13.30 H ATOM 2444 HG1ATHR A 177 14.000 -14.899 -19.654 0.02 11.04 H ATOM 2445 DG1BTHR A 177 14.000 -14.899 -19.654 0.98 11.04 D ATOM 2446 HG21 THR A 177 14.183 -12.656 -20.559 1.00 17.43 H ATOM 2447 HG22 THR A 177 14.597 -12.524 -22.275 1.00 17.81 H ATOM 2448 HG23 THR A 177 12.923 -12.817 -21.799 1.00 18.86 H ATOM 2449 N SER A 178 15.062 -17.154 -22.748 1.00 13.20 N ATOM 2450 CA SER A 178 15.314 -18.582 -22.625 1.00 14.39 C ATOM 2451 C SER A 178 14.789 -19.160 -21.320 1.00 10.00 C ATOM 2452 O SER A 178 14.760 -20.384 -21.175 1.00 11.14 O ATOM 2453 CB SER A 178 16.815 -18.855 -22.737 1.00 15.19 C ATOM 2454 OG SER A 178 17.543 -18.058 -21.823 1.00 20.05 O ATOM 2455 H ASER A 178 15.900 -16.568 -22.749 0.03 12.91 H ATOM 2456 D BSER A 178 15.900 -16.568 -22.749 0.97 12.91 D ATOM 2457 HA SER A 178 14.816 -19.102 -23.445 1.00 21.87 H ATOM 2458 HB2 SER A 178 17.001 -19.908 -22.522 1.00 19.23 H ATOM 2459 HB3 SER A 178 17.142 -18.617 -23.746 1.00 21.32 H ATOM 2460 N ASN A 179 14.368 -18.315 -20.379 1.00 8.84 N ATOM 2461 CA ASN A 179 13.838 -18.765 -19.097 1.00 10.03 C ATOM 2462 C ASN A 179 12.317 -18.805 -19.076 1.00 10.67 C ATOM 2463 O ASN A 179 11.713 -18.884 -18.000 1.00 8.13 O ATOM 2464 CB ASN A 179 14.356 -17.875 -17.969 1.00 9.34 C ATOM 2465 CG ASN A 179 15.862 -17.881 -17.884 1.00 13.48 C ATOM 2466 OD1 ASN A 179 16.486 -18.935 -17.845 1.00 14.17 O ATOM 2467 ND2 ASN A 179 16.451 -16.701 -17.886 1.00 14.66 N ATOM 2468 H AASN A 179 14.391 -17.305 -20.483 0.12 9.47 H ATOM 2469 D BASN A 179 14.391 -17.305 -20.483 0.88 9.47 D ATOM 2470 HA ASN A 179 14.198 -19.776 -18.920 1.00 9.83 H ATOM 2471 HB2 ASN A 179 14.022 -16.850 -18.141 1.00 15.37 H ATOM 2472 HB3 ASN A 179 13.945 -18.247 -17.029 1.00 11.22 H ATOM 2473 HD21AASN A 179 17.455 -16.623 -17.758 0.17 15.66 H ATOM 2474 DD21BASN A 179 17.455 -16.623 -17.758 0.83 15.66 D ATOM 2475 HD22AASN A 179 15.874 -15.871 -18.015 0.10 11.79 H ATOM 2476 DD22BASN A 179 15.874 -15.871 -18.015 0.90 11.79 D ATOM 2477 N MET A 180 11.692 -18.750 -20.241 1.00 9.65 N ATOM 2478 CA MET A 180 10.245 -18.712 -20.348 1.00 9.96 C ATOM 2479 C MET A 180 9.795 -19.721 -21.387 1.00 9.90 C ATOM 2480 O MET A 180 10.539 -20.046 -22.317 1.00 11.28 O ATOM 2481 CB MET A 180 9.777 -17.330 -20.823 1.00 8.86 C ATOM 2482 CG MET A 180 10.103 -16.214 -19.874 1.00 5.87 C ATOM 2483 SD MET A 180 9.593 -14.605 -20.519 1.00 12.36 S ATOM 2484 CE MET A 180 10.440 -13.497 -19.396 1.00 10.60 C ATOM 2485 H AMET A 180 12.178 -18.711 -21.139 0.00 9.86 H ATOM 2486 D BMET A 180 12.178 -18.711 -21.139 1.00 9.86 D ATOM 2487 HA MET A 180 9.833 -18.938 -19.367 1.00 7.18 H ATOM 2488 HB2 MET A 180 10.253 -17.130 -21.786 1.00 9.47 H ATOM 2489 HB3 MET A 180 8.700 -17.359 -20.968 1.00 11.89 H ATOM 2490 HG2 MET A 180 9.609 -16.387 -18.917 1.00 10.30 H ATOM 2491 HG3 MET A 180 11.178 -16.194 -19.731 1.00 13.40 H ATOM 2492 HE1 MET A 180 10.304 -12.470 -19.736 1.00 15.14 H ATOM 2493 HE2 MET A 180 10.019 -13.617 -18.402 1.00 15.31 H ATOM 2494 HE3 MET A 180 11.498 -13.754 -19.390 1.00 13.93 H ATOM 2495 N PHE A 181 8.563 -20.203 -21.229 1.00 8.63 N ATOM 2496 CA PHE A 181 7.892 -20.952 -22.282 1.00 10.04 C ATOM 2497 C PHE A 181 6.411 -20.607 -22.285 1.00 10.51 C ATOM 2498 O PHE A 181 5.850 -20.162 -21.280 1.00 8.61 O ATOM 2499 CB PHE A 181 8.126 -22.478 -22.184 1.00 8.14 C ATOM 2500 CG PHE A 181 7.488 -23.156 -20.980 1.00 10.95 C ATOM 2501 CD1 PHE A 181 6.192 -23.658 -21.052 1.00 8.74 C ATOM 2502 CD2 PHE A 181 8.206 -23.343 -19.799 1.00 12.54 C ATOM 2503 CE1 PHE A 181 5.608 -24.300 -19.973 1.00 9.00 C ATOM 2504 CE2 PHE A 181 7.634 -23.987 -18.713 1.00 10.98 C ATOM 2505 CZ PHE A 181 6.327 -24.466 -18.794 1.00 11.38 C ATOM 2506 H APHE A 181 8.012 -20.085 -20.378 1.00 9.46 H ATOM 2507 D BPHE A 181 8.012 -20.085 -20.378 0.00 9.46 D ATOM 2508 HA PHE A 181 8.299 -20.634 -23.246 1.00 10.38 H ATOM 2509 HB2 PHE A 181 7.725 -22.949 -23.080 1.00 11.45 H ATOM 2510 HB3 PHE A 181 9.200 -22.645 -22.137 1.00 10.76 H ATOM 2511 HD1 PHE A 181 5.622 -23.537 -21.960 1.00 10.61 H ATOM 2512 HD2 PHE A 181 9.220 -22.985 -19.692 1.00 13.11 H ATOM 2513 HE1 PHE A 181 4.598 -24.679 -20.044 1.00 13.50 H ATOM 2514 HE2 PHE A 181 8.199 -24.112 -17.802 1.00 12.60 H ATOM 2515 HZ PHE A 181 5.874 -24.971 -17.952 1.00 11.55 H ATOM 2516 N CYS A 182 5.784 -20.810 -23.443 1.00 10.25 N ATOM 2517 CA CYS A 182 4.354 -20.602 -23.604 1.00 10.99 C ATOM 2518 C CYS A 182 3.650 -21.943 -23.535 1.00 9.22 C ATOM 2519 O CYS A 182 4.161 -22.956 -24.020 1.00 9.08 O ATOM 2520 CB CYS A 182 3.997 -19.948 -24.941 1.00 10.23 C ATOM 2521 SG CYS A 182 4.497 -18.214 -25.173 1.00 11.41 S ATOM 2522 H ACYS A 182 6.262 -21.157 -24.270 0.16 8.46 H ATOM 2523 D BCYS A 182 6.262 -21.157 -24.270 0.84 8.46 D ATOM 2524 HA CYS A 182 3.988 -19.975 -22.793 1.00 5.43 H ATOM 2525 HB2 CYS A 182 4.454 -20.534 -25.732 1.00 10.70 H ATOM 2526 HB3 CYS A 182 2.910 -19.981 -25.040 1.00 15.69 H ATOM 2527 N ALA A 183 2.464 -21.931 -22.952 1.00 7.08 N ATOM 2528 CA ALA A 183 1.613 -23.105 -22.921 1.00 7.87 C ATOM 2529 C ALA A 183 0.172 -22.649 -23.027 1.00 10.66 C ATOM 2530 O ALA A 183 -0.189 -21.571 -22.554 1.00 11.31 O ATOM 2531 CB ALA A 183 1.816 -23.949 -21.655 1.00 8.97 C ATOM 2532 H AALA A 183 2.063 -21.095 -22.521 0.46 8.56 H ATOM 2533 D BALA A 183 2.063 -21.095 -22.521 0.54 8.56 D ATOM 2534 HA ALA A 183 1.863 -23.714 -23.788 1.00 9.65 H ATOM 2535 HB1 ALA A 183 2.858 -24.258 -21.621 1.00 10.60 H ATOM 2536 HB2 ALA A 183 1.571 -23.361 -20.771 1.00 11.34 H ATOM 2537 HB3 ALA A 183 1.190 -24.840 -21.703 1.00 8.86 H ATOM 2538 N GLY A 184 -0.646 -23.474 -23.665 1.00 11.39 N ATOM 2539 CA GLY A 184 -2.034 -23.121 -23.865 1.00 10.84 C ATOM 2540 C GLY A 184 -2.498 -23.288 -25.292 1.00 14.74 C ATOM 2541 O GLY A 184 -2.062 -24.198 -26.001 1.00 17.07 O ATOM 2542 H AGLY A 184 -0.378 -24.381 -24.029 0.09 10.53 H ATOM 2543 D BGLY A 184 -0.378 -24.381 -24.029 0.91 10.53 D ATOM 2544 HA2 GLY A 184 -2.666 -23.741 -23.231 1.00 10.69 H ATOM 2545 HA3 GLY A 184 -2.194 -22.083 -23.576 1.00 15.16 H ATOM 2546 N TYR A 184A -3.381 -22.394 -25.722 1.00 15.25 N ATOM 2547 CA TYR A 184A -4.109 -22.554 -26.975 1.00 13.79 C ATOM 2548 C TYR A 184A -4.104 -21.229 -27.718 1.00 16.39 C ATOM 2549 O TYR A 184A -4.584 -20.219 -27.194 1.00 19.52 O ATOM 2550 CB TYR A 184A -5.544 -23.008 -26.686 1.00 18.27 C ATOM 2551 CG TYR A 184A -5.599 -24.332 -25.954 1.00 18.44 C ATOM 2552 CD1 TYR A 184A -5.661 -25.526 -26.658 1.00 18.25 C ATOM 2553 CD2 TYR A 184A -5.553 -24.391 -24.560 1.00 18.21 C ATOM 2554 CE1 TYR A 184A -5.699 -26.748 -26.001 1.00 22.47 C ATOM 2555 CE2 TYR A 184A -5.589 -25.609 -23.894 1.00 18.87 C ATOM 2556 CZ TYR A 184A -5.663 -26.784 -24.621 1.00 20.60 C ATOM 2557 OH TYR A 184A -5.699 -28.006 -23.984 1.00 19.17 O ATOM 2558 H ATYR A 184A -3.635 -21.554 -25.206 0.14 15.22 H ATOM 2559 D BTYR A 184A -3.635 -21.554 -25.206 0.86 15.22 D ATOM 2560 HA TYR A 184A -3.630 -23.314 -27.593 1.00 19.55 H ATOM 2561 HB2 TYR A 184A -6.054 -22.261 -26.078 1.00 20.34 H ATOM 2562 HB3 TYR A 184A -6.071 -23.129 -27.632 1.00 18.90 H ATOM 2563 HD1 TYR A 184A -5.694 -25.506 -27.738 1.00 22.63 H ATOM 2564 HD2 TYR A 184A -5.494 -23.481 -23.980 1.00 19.09 H ATOM 2565 HE1 TYR A 184A -5.757 -27.666 -26.569 1.00 24.50 H ATOM 2566 HE2 TYR A 184A -5.558 -25.635 -22.815 1.00 17.60 H ATOM 2567 HH ATYR A 184A -5.763 -27.885 -23.017 0.23 17.20 H ATOM 2568 DH BTYR A 184A -5.763 -27.885 -23.017 0.77 17.20 D ATOM 2569 N LEU A 185 -3.560 -21.239 -28.934 1.00 18.19 N ATOM 2570 CA LEU A 185 -3.490 -20.028 -29.747 1.00 20.97 C ATOM 2571 C LEU A 185 -4.866 -19.528 -30.168 1.00 18.91 C ATOM 2572 O LEU A 185 -5.026 -18.334 -30.443 1.00 17.81 O ATOM 2573 CB LEU A 185 -2.626 -20.282 -30.981 1.00 22.26 C ATOM 2574 CG LEU A 185 -1.143 -20.528 -30.708 1.00 24.43 C ATOM 2575 CD1 LEU A 185 -0.408 -20.964 -31.967 1.00 31.68 C ATOM 2576 CD2 LEU A 185 -0.514 -19.278 -30.114 1.00 23.21 C ATOM 2577 H ALEU A 185 -3.148 -22.069 -29.363 0.00 14.87 H ATOM 2578 D BLEU A 185 -3.148 -22.069 -29.363 1.00 14.87 D ATOM 2579 HA LEU A 185 -3.009 -19.250 -29.155 1.00 16.79 H ATOM 2580 HB3 LEU A 185 -2.719 -19.446 -31.673 1.00 22.06 H ATOM 2581 HG LEU A 185 -1.060 -21.323 -29.968 1.00 22.84 H ATOM 2582 HD11 LEU A 185 0.664 -20.950 -31.775 1.00 24.93 H ATOM 2583 HD13 LEU A 185 -0.650 -20.287 -32.785 1.00 28.79 H ATOM 2584 HD21 LEU A 185 0.541 -19.237 -30.377 1.00 22.89 H ATOM 2585 HD23 LEU A 185 -0.631 -19.307 -29.032 1.00 22.68 H ATOM 2586 N GLU A 186 -5.862 -20.410 -30.220 1.00 20.80 N ATOM 2587 CA GLU A 186 -7.225 -20.004 -30.533 1.00 20.87 C ATOM 2588 C GLU A 186 -7.906 -19.316 -29.363 1.00 20.15 C ATOM 2589 O GLU A 186 -9.005 -18.779 -29.532 1.00 25.27 O ATOM 2590 CB GLU A 186 -8.052 -21.222 -30.958 1.00 24.68 C ATOM 2591 H AGLU A 186 -5.750 -21.403 -30.031 0.01 19.99 H ATOM 2592 D BGLU A 186 -5.750 -21.403 -30.031 0.99 19.99 D ATOM 2593 HA GLU A 186 -7.202 -19.300 -31.365 1.00 26.60 H ATOM 2594 HB2 GLU A 186 -8.697 -20.938 -31.789 1.00 23.33 H ATOM 2595 N GLY A 187 -7.281 -19.320 -28.194 1.00 23.67 N ATOM 2596 CA GLY A 187 -7.849 -18.705 -27.025 1.00 22.40 C ATOM 2597 C GLY A 187 -8.866 -19.601 -26.343 1.00 20.30 C ATOM 2598 O GLY A 187 -9.072 -20.769 -26.690 1.00 21.20 O ATOM 2599 H AGLY A 187 -6.364 -19.748 -28.039 0.04 20.77 H ATOM 2600 D BGLY A 187 -6.364 -19.748 -28.039 0.96 20.77 D ATOM 2601 HA2 GLY A 187 -7.049 -18.493 -26.319 1.00 22.85 H ATOM 2602 HA3 GLY A 187 -8.320 -17.757 -27.283 1.00 19.90 H ATOM 2603 N GLY A 188 -9.507 -19.021 -25.333 1.00 14.43 N ATOM 2604 CA GLY A 188 -10.569 -19.671 -24.595 1.00 15.42 C ATOM 2605 C GLY A 188 -10.132 -20.362 -23.316 1.00 17.21 C ATOM 2606 O GLY A 188 -10.932 -20.479 -22.385 1.00 17.44 O ATOM 2607 H AGLY A 188 -9.295 -18.070 -25.018 0.00 16.54 H ATOM 2608 D BGLY A 188 -9.295 -18.070 -25.018 1.00 16.54 D ATOM 2609 HA2 GLY A 188 -11.325 -18.929 -24.344 1.00 21.10 H ATOM 2610 HA3 GLY A 188 -11.038 -20.426 -25.227 1.00 20.01 H ATOM 2611 N LYS A 188A -8.886 -20.820 -23.252 1.00 12.37 N ATOM 2612 CA LYS A 188A -8.394 -21.625 -22.138 1.00 11.07 C ATOM 2613 C LYS A 188A -7.023 -21.104 -21.743 1.00 12.78 C ATOM 2614 O LYS A 188A -6.118 -21.061 -22.580 1.00 16.31 O ATOM 2615 CB LYS A 188A -8.277 -23.092 -22.569 1.00 13.71 C ATOM 2616 CG LYS A 188A -9.598 -23.775 -22.873 1.00 15.99 C ATOM 2617 CD LYS A 188A -9.367 -25.218 -23.322 1.00 18.86 C ATOM 2618 H ALYS A 188A -8.193 -20.672 -23.986 0.10 13.69 H ATOM 2619 D BLYS A 188A -8.193 -20.672 -23.986 0.90 13.69 D ATOM 2620 HA LYS A 188A -9.068 -21.554 -21.287 1.00 15.92 H ATOM 2621 HB2 LYS A 188A -7.681 -23.134 -23.483 1.00 18.44 H ATOM 2622 HB3 LYS A 188A -7.785 -23.661 -21.783 1.00 17.67 H ATOM 2623 HG2 LYS A 188A -10.202 -23.793 -21.968 1.00 23.12 H ATOM 2624 HG3 LYS A 188A -10.120 -23.244 -23.669 1.00 22.83 H ATOM 2625 HD2 LYS A 188A -8.813 -25.204 -24.261 1.00 23.62 H ATOM 2626 HD3 LYS A 188A -8.774 -25.716 -22.555 1.00 22.74 H ATOM 2627 N ASP A 189 -6.862 -20.711 -20.479 1.00 9.87 N ATOM 2628 CA ASP A 189 -5.627 -20.052 -20.057 1.00 10.71 C ATOM 2629 C ASP A 189 -5.611 -19.964 -18.537 1.00 10.02 C ATOM 2630 O ASP A 189 -6.625 -20.179 -17.867 1.00 11.19 O ATOM 2631 CB ASP A 189 -5.578 -18.637 -20.652 1.00 10.33 C ATOM 2632 CG ASP A 189 -4.170 -18.074 -20.791 1.00 9.64 C ATOM 2633 OD1 ASP A 189 -3.182 -18.718 -20.380 1.00 11.62 O ATOM 2634 OD2 ASP A 189 -4.064 -16.945 -21.313 1.00 15.03 O ATOM 2635 H AASP A 189 -7.574 -20.791 -19.757 0.00 11.05 H ATOM 2636 D BASP A 189 -7.574 -20.791 -19.757 1.00 11.05 D ATOM 2637 HA ASP A 189 -4.755 -20.623 -20.389 1.00 12.63 H ATOM 2638 HB2 ASP A 189 -6.025 -18.650 -21.643 1.00 12.85 H ATOM 2639 HB3 ASP A 189 -6.143 -17.967 -20.008 1.00 13.98 H ATOM 2640 N SER A 190 -4.449 -19.608 -18.003 1.00 8.99 N ATOM 2641 CA SER A 190 -4.334 -19.204 -16.616 1.00 8.43 C ATOM 2642 C SER A 190 -4.647 -17.716 -16.557 1.00 12.55 C ATOM 2643 O SER A 190 -4.727 -17.041 -17.585 1.00 11.62 O ATOM 2644 CB SER A 190 -2.935 -19.506 -16.090 1.00 10.50 C ATOM 2645 OG SER A 190 -1.920 -19.006 -16.926 1.00 12.96 O ATOM 2646 H ASER A 190 -3.582 -19.515 -18.528 0.00 12.15 H ATOM 2647 D BSER A 190 -3.582 -19.515 -18.528 1.00 12.15 D ATOM 2648 HA SER A 190 -5.058 -19.758 -16.016 1.00 11.20 H ATOM 2649 HB2 SER A 190 -2.817 -19.046 -15.116 1.00 10.57 H ATOM 2650 HB3 SER A 190 -2.814 -20.587 -16.009 1.00 16.80 H ATOM 2651 HG ASER A 190 -1.494 -19.760 -17.385 0.07 13.27 H ATOM 2652 DG BSER A 190 -1.494 -19.760 -17.385 0.93 13.27 D ATOM 2653 N CYS A 191 -4.872 -17.202 -15.356 1.00 11.63 N ATOM 2654 CA CYS A 191 -5.314 -15.819 -15.247 1.00 10.20 C ATOM 2655 C CYS A 191 -4.940 -15.270 -13.875 1.00 11.11 C ATOM 2656 O CYS A 191 -4.276 -15.930 -13.074 1.00 14.67 O ATOM 2657 CB CYS A 191 -6.816 -15.732 -15.526 1.00 8.55 C ATOM 2658 SG CYS A 191 -7.417 -14.073 -15.872 1.00 15.88 S ATOM 2659 H ACYS A 191 -4.802 -17.718 -14.481 0.01 9.85 H ATOM 2660 D BCYS A 191 -4.802 -17.718 -14.481 0.99 9.85 D ATOM 2661 HA CYS A 191 -4.790 -15.226 -15.998 1.00 14.87 H ATOM 2662 HB2 CYS A 191 -7.032 -16.337 -16.410 1.00 12.86 H ATOM 2663 HB3 CYS A 191 -7.353 -16.127 -14.667 1.00 9.77 H ATOM 2664 N GLN A 192 -5.366 -14.032 -13.623 1.00 14.80 N ATOM 2665 CA GLN A 192 -5.020 -13.340 -12.386 1.00 17.22 C ATOM 2666 C GLN A 192 -5.414 -14.174 -11.174 1.00 11.03 C ATOM 2667 O GLN A 192 -6.532 -14.689 -11.089 1.00 12.64 O ATOM 2668 CB GLN A 192 -5.736 -11.989 -12.342 1.00 16.63 C ATOM 2669 H AGLN A 192 -5.959 -13.493 -14.253 0.18 13.31 H ATOM 2670 D BGLN A 192 -5.959 -13.493 -14.253 0.82 13.31 D ATOM 2671 HA GLN A 192 -3.946 -13.152 -12.345 1.00 12.51 H ATOM 2672 HB2 GLN A 192 -6.642 -12.051 -12.943 1.00 21.45 H ATOM 2673 N GLY A 193 -4.484 -14.307 -10.240 1.00 11.25 N ATOM 2674 CA GLY A 193 -4.683 -15.105 -9.056 1.00 9.07 C ATOM 2675 C GLY A 193 -4.118 -16.504 -9.162 1.00 8.50 C ATOM 2676 O GLY A 193 -3.988 -17.188 -8.140 1.00 10.93 O ATOM 2677 H AGLY A 193 -3.562 -13.883 -10.317 0.10 12.55 H ATOM 2678 D BGLY A 193 -3.562 -13.883 -10.317 0.90 12.55 D ATOM 2679 HA2 GLY A 193 -4.224 -14.611 -8.201 1.00 10.60 H ATOM 2680 HA3 GLY A 193 -5.750 -15.190 -8.851 1.00 11.97 H ATOM 2681 N ASP A 194 -3.806 -16.950 -10.381 1.00 8.55 N ATOM 2682 CA ASP A 194 -3.119 -18.213 -10.608 1.00 7.25 C ATOM 2683 C ASP A 194 -1.610 -18.058 -10.520 1.00 6.13 C ATOM 2684 O ASP A 194 -0.896 -19.065 -10.445 1.00 6.85 O ATOM 2685 CB ASP A 194 -3.454 -18.753 -12.011 1.00 7.65 C ATOM 2686 CG ASP A 194 -4.920 -19.142 -12.161 1.00 9.15 C ATOM 2687 OD1 ASP A 194 -5.488 -19.701 -11.207 1.00 8.36 O ATOM 2688 OD2 ASP A 194 -5.497 -18.901 -13.245 1.00 9.47 O ATOM 2689 H AASP A 194 -4.010 -16.424 -11.224 0.03 8.73 H ATOM 2690 D BASP A 194 -4.010 -16.424 -11.224 0.97 8.73 D ATOM 2691 HA ASP A 194 -3.423 -18.940 -9.849 1.00 7.23 H ATOM 2692 HB2 ASP A 194 -3.202 -18.017 -12.779 1.00 8.60 H ATOM 2693 HB3 ASP A 194 -2.859 -19.650 -12.185 1.00 6.95 H ATOM 2694 N SER A 195 -1.128 -16.821 -10.567 1.00 6.98 N ATOM 2695 CA SER A 195 0.300 -16.528 -10.525 1.00 8.65 C ATOM 2696 C SER A 195 1.008 -17.340 -9.453 1.00 6.98 C ATOM 2697 O SER A 195 0.506 -17.508 -8.337 1.00 7.79 O ATOM 2698 CB ASER A 195 0.508 -15.043 -10.217 0.73 13.04 C ATOM 2699 CB CSER A 195 0.504 -15.042 -10.229 0.27 12.94 C ATOM 2700 OG ASER A 195 -0.050 -14.210 -11.221 0.73 15.76 O ATOM 2701 OG CSER A 195 -0.073 -14.229 -11.233 0.27 15.53 O ATOM 2702 H ASER A 195 -1.714 -16.007 -10.662 0.08 10.26 H ATOM 2703 D BSER A 195 -1.714 -16.007 -10.662 0.92 10.26 D ATOM 2704 HA SER A 195 0.758 -16.756 -11.489 1.00 7.87 H ATOM 2705 HB2ASER A 195 0.032 -14.813 -9.264 0.73 16.27 H ATOM 2706 HB2CSER A 195 0.037 -14.806 -9.272 0.27 15.92 H ATOM 2707 HB3ASER A 195 1.577 -14.850 -10.142 0.73 12.77 H ATOM 2708 HB3CSER A 195 1.573 -14.843 -10.175 0.27 12.67 H ATOM 2709 DG CSER A 195 0.629 -13.714 -11.681 0.27 13.07 D ATOM 2710 N GLY A 196 2.196 -17.823 -9.795 1.00 6.50 N ATOM 2711 CA GLY A 196 3.007 -18.587 -8.879 1.00 6.78 C ATOM 2712 C GLY A 196 2.684 -20.061 -8.838 1.00 6.73 C ATOM 2713 O GLY A 196 3.466 -20.830 -8.268 1.00 8.65 O ATOM 2714 H AGLY A 196 2.599 -17.690 -10.718 0.20 8.26 H ATOM 2715 D BGLY A 196 2.599 -17.690 -10.718 0.80 8.26 D ATOM 2716 HA2 GLY A 196 4.058 -18.488 -9.136 1.00 7.82 H ATOM 2717 HA3 GLY A 196 2.886 -18.206 -7.865 1.00 10.84 H ATOM 2718 N GLY A 197 1.556 -20.478 -9.410 1.00 8.80 N ATOM 2719 CA GLY A 197 1.146 -21.858 -9.323 1.00 7.98 C ATOM 2720 C GLY A 197 1.889 -22.777 -10.271 1.00 9.32 C ATOM 2721 O GLY A 197 2.711 -22.365 -11.103 1.00 9.33 O ATOM 2722 H AGLY A 197 0.890 -19.862 -9.887 1.00 7.93 H ATOM 2723 D BGLY A 197 0.890 -19.862 -9.887 0.00 7.93 D ATOM 2724 HA2 GLY A 197 1.344 -22.203 -8.310 1.00 11.15 H ATOM 2725 HA3 GLY A 197 0.082 -21.943 -9.499 1.00 10.69 H ATOM 2726 N PRO A 198 1.580 -24.066 -10.153 1.00 8.43 N ATOM 2727 CA PRO A 198 2.335 -25.105 -10.868 1.00 7.37 C ATOM 2728 C PRO A 198 1.884 -25.361 -12.298 1.00 7.13 C ATOM 2729 O PRO A 198 0.703 -25.283 -12.639 1.00 10.86 O ATOM 2730 CB PRO A 198 2.071 -26.356 -10.023 1.00 8.75 C ATOM 2731 CG PRO A 198 0.714 -26.104 -9.409 1.00 9.92 C ATOM 2732 CD PRO A 198 0.630 -24.621 -9.177 1.00 8.00 C ATOM 2733 HA PRO A 198 3.401 -24.885 -10.860 1.00 10.86 H ATOM 2734 HB2 PRO A 198 2.042 -27.229 -10.670 1.00 8.83 H ATOM 2735 HB3 PRO A 198 2.835 -26.469 -9.262 1.00 10.05 H ATOM 2736 HG2 PRO A 198 -0.068 -26.430 -10.094 1.00 12.06 H ATOM 2737 HG3 PRO A 198 0.616 -26.642 -8.465 1.00 9.44 H ATOM 2738 HD2 PRO A 198 -0.369 -24.244 -9.380 1.00 9.06 H ATOM 2739 HD3 PRO A 198 0.935 -24.383 -8.160 1.00 14.02 H ATOM 2740 N VAL A 199 2.868 -25.701 -13.129 1.00 7.43 N ATOM 2741 CA VAL A 199 2.646 -26.361 -14.413 1.00 6.61 C ATOM 2742 C VAL A 199 3.371 -27.697 -14.314 1.00 7.02 C ATOM 2743 O VAL A 199 4.607 -27.735 -14.293 1.00 7.48 O ATOM 2744 CB VAL A 199 3.201 -25.548 -15.591 1.00 10.60 C ATOM 2745 CG1 VAL A 199 2.928 -26.266 -16.906 1.00 9.55 C ATOM 2746 CG2 VAL A 199 2.660 -24.136 -15.605 1.00 12.83 C ATOM 2747 H AVAL A 199 3.858 -25.532 -12.930 1.00 10.38 H ATOM 2748 D BVAL A 199 3.858 -25.532 -12.930 0.00 10.38 D ATOM 2749 HA VAL A 199 1.581 -26.549 -14.544 1.00 8.46 H ATOM 2750 HB VAL A 199 4.282 -25.471 -15.490 1.00 10.50 H ATOM 2751 HG11 VAL A 199 3.334 -25.657 -17.709 1.00 13.89 H ATOM 2752 HG12 VAL A 199 3.418 -27.240 -16.887 1.00 15.21 H ATOM 2753 HG13 VAL A 199 1.856 -26.397 -17.045 1.00 13.57 H ATOM 2754 HG21 VAL A 199 3.181 -23.598 -16.393 1.00 11.61 H ATOM 2755 HG22 VAL A 199 1.590 -24.128 -15.802 1.00 14.22 H ATOM 2756 HG23 VAL A 199 2.874 -23.668 -14.646 1.00 12.08 H ATOM 2757 N VAL A 200 2.613 -28.788 -14.231 1.00 8.61 N ATOM 2758 CA VAL A 200 3.157 -30.117 -13.987 1.00 9.08 C ATOM 2759 C VAL A 200 2.971 -30.966 -15.233 1.00 8.72 C ATOM 2760 O VAL A 200 1.868 -31.049 -15.787 1.00 9.72 O ATOM 2761 CB VAL A 200 2.520 -30.758 -12.743 1.00 11.03 C ATOM 2762 CG1 VAL A 200 2.854 -32.234 -12.650 1.00 12.67 C ATOM 2763 CG2 VAL A 200 3.018 -30.040 -11.520 1.00 8.77 C ATOM 2764 H AVAL A 200 1.599 -28.773 -14.321 1.00 9.14 H ATOM 2765 D BVAL A 200 1.599 -28.773 -14.321 0.00 9.14 D ATOM 2766 HA VAL A 200 4.225 -30.031 -13.797 1.00 11.86 H ATOM 2767 HB VAL A 200 1.438 -30.635 -12.799 1.00 11.81 H ATOM 2768 HG11 VAL A 200 2.597 -32.595 -11.653 1.00 13.68 H ATOM 2769 HG12 VAL A 200 2.288 -32.782 -13.400 1.00 14.09 H ATOM 2770 HG13 VAL A 200 3.920 -32.364 -12.822 1.00 16.03 H ATOM 2771 HG21 VAL A 200 2.585 -30.486 -10.633 1.00 14.65 H ATOM 2772 HG22 VAL A 200 4.105 -30.118 -11.485 1.00 12.25 H ATOM 2773 HG23 VAL A 200 2.733 -28.992 -11.584 1.00 13.86 H ATOM 2774 N CYS A 201 4.062 -31.573 -15.682 1.00 9.21 N ATOM 2775 CA CYS A 201 4.074 -32.386 -16.889 1.00 11.81 C ATOM 2776 C CYS A 201 4.777 -33.692 -16.563 1.00 14.16 C ATOM 2777 O CYS A 201 5.893 -33.687 -16.036 1.00 13.40 O ATOM 2778 CB CYS A 201 4.792 -31.667 -18.040 1.00 10.24 C ATOM 2779 SG CYS A 201 4.616 -29.860 -18.040 1.00 10.46 S ATOM 2780 H ACYS A 201 4.957 -31.533 -15.190 0.01 10.60 H ATOM 2781 D BCYS A 201 4.957 -31.533 -15.190 0.99 10.60 D ATOM 2782 HA CYS A 201 3.055 -32.603 -17.208 1.00 12.26 H ATOM 2783 HB3 CYS A 201 4.407 -32.051 -18.988 1.00 16.20 H ATOM 2784 N SER A 202 4.114 -34.807 -16.867 1.00 14.79 N ATOM 2785 CA SER A 202 4.677 -36.132 -16.626 1.00 17.00 C ATOM 2786 C SER A 202 5.224 -36.249 -15.203 1.00 14.22 C ATOM 2787 O SER A 202 6.310 -36.787 -14.968 1.00 14.76 O ATOM 2788 CB SER A 202 5.742 -36.475 -17.667 1.00 18.92 C ATOM 2789 OG SER A 202 5.218 -36.383 -18.981 1.00 23.58 O ATOM 2790 H ASER A 202 3.179 -34.815 -17.282 0.04 15.99 H ATOM 2791 D BSER A 202 3.179 -34.815 -17.282 0.96 15.99 D ATOM 2792 HA SER A 202 3.876 -36.861 -16.725 1.00 16.96 H ATOM 2793 N GLY A 203 4.453 -35.749 -14.241 1.00 14.66 N ATOM 2794 CA GLY A 203 4.807 -35.856 -12.839 1.00 12.15 C ATOM 2795 C GLY A 203 5.963 -35.004 -12.368 1.00 12.06 C ATOM 2796 O GLY A 203 6.483 -35.243 -11.275 1.00 14.15 O ATOM 2797 H AGLY A 203 3.553 -35.299 -14.406 0.08 14.09 H ATOM 2798 D BGLY A 203 3.553 -35.299 -14.406 0.92 14.09 D ATOM 2799 HA2 GLY A 203 3.940 -35.576 -12.242 1.00 17.50 H ATOM 2800 HA3 GLY A 203 5.042 -36.895 -12.620 1.00 15.48 H ATOM 2801 N LYS A 204 6.382 -34.009 -13.146 1.00 10.46 N ATOM 2802 CA LYS A 204 7.452 -33.117 -12.731 1.00 11.28 C ATOM 2803 C LYS A 204 6.989 -31.672 -12.859 1.00 9.24 C ATOM 2804 O LYS A 204 6.213 -31.328 -13.754 1.00 8.63 O ATOM 2805 CB LYS A 204 8.714 -33.312 -13.577 1.00 17.29 C ATOM 2806 CG LYS A 204 9.241 -34.754 -13.645 1.00 15.67 C ATOM 2807 CD LYS A 204 9.684 -35.259 -12.285 1.00 26.43 C ATOM 2808 H ALYS A 204 6.009 -33.797 -14.071 0.06 11.46 H ATOM 2809 D BLYS A 204 6.009 -33.797 -14.071 0.94 11.46 D ATOM 2810 HA LYS A 204 7.703 -33.319 -11.689 1.00 13.11 H ATOM 2811 HB2 LYS A 204 8.503 -33.001 -14.596 1.00 15.29 H ATOM 2812 HB3 LYS A 204 9.491 -32.671 -13.166 1.00 17.45 H ATOM 2813 HG2 LYS A 204 8.453 -35.406 -14.022 1.00 18.51 H ATOM 2814 HG3 LYS A 204 10.103 -34.795 -14.313 1.00 24.61 H ATOM 2815 HD3 LYS A 204 8.882 -35.098 -11.569 1.00 21.62 H ATOM 2816 N LEU A 209 7.479 -30.831 -11.951 1.00 10.00 N ATOM 2817 CA LEU A 209 7.229 -29.393 -12.022 1.00 9.64 C ATOM 2818 C LEU A 209 8.084 -28.795 -13.131 1.00 10.32 C ATOM 2819 O LEU A 209 9.304 -28.692 -12.996 1.00 14.35 O ATOM 2820 CB LEU A 209 7.562 -28.724 -10.692 1.00 11.09 C ATOM 2821 CG LEU A 209 7.267 -27.222 -10.609 1.00 9.27 C ATOM 2822 CD1 LEU A 209 5.765 -26.937 -10.674 1.00 9.86 C ATOM 2823 CD2 LEU A 209 7.870 -26.681 -9.333 1.00 9.01 C ATOM 2824 H ALEU A 209 8.052 -31.127 -11.163 0.01 12.02 H ATOM 2825 D BLEU A 209 8.052 -31.127 -11.163 0.99 12.02 D ATOM 2826 HA LEU A 209 6.181 -29.207 -12.250 1.00 10.93 H ATOM 2827 HB2 LEU A 209 7.052 -29.236 -9.875 1.00 10.37 H ATOM 2828 HB3 LEU A 209 8.636 -28.814 -10.553 1.00 13.29 H ATOM 2829 HG LEU A 209 7.762 -26.720 -11.442 1.00 10.90 H ATOM 2830 HD11 LEU A 209 5.288 -27.447 -9.839 1.00 16.64 H ATOM 2831 HD12 LEU A 209 5.581 -25.865 -10.596 1.00 13.91 H ATOM 2832 HD13 LEU A 209 5.363 -27.313 -11.614 1.00 14.27 H ATOM 2833 HD21 LEU A 209 7.695 -25.606 -9.270 1.00 11.47 H ATOM 2834 HD22 LEU A 209 7.416 -27.190 -8.485 1.00 17.34 H ATOM 2835 HD23 LEU A 209 8.942 -26.885 -9.341 1.00 13.99 H ATOM 2836 N GLN A 210 7.449 -28.381 -14.220 1.00 7.78 N ATOM 2837 CA GLN A 210 8.165 -27.766 -15.330 1.00 8.94 C ATOM 2838 C GLN A 210 7.975 -26.262 -15.435 1.00 9.13 C ATOM 2839 O GLN A 210 8.836 -25.600 -16.019 1.00 7.24 O ATOM 2840 CB GLN A 210 7.745 -28.403 -16.665 1.00 9.29 C ATOM 2841 CG GLN A 210 8.217 -29.855 -16.838 1.00 8.66 C ATOM 2842 CD GLN A 210 9.713 -29.979 -17.117 1.00 10.60 C ATOM 2843 OE1 GLN A 210 10.422 -28.985 -17.271 1.00 17.67 O ATOM 2844 NE2 GLN A 210 10.191 -31.216 -17.205 1.00 13.42 N ATOM 2845 H AGLN A 210 6.443 -28.469 -14.368 0.95 8.98 H ATOM 2846 D BGLN A 210 6.443 -28.469 -14.368 0.05 8.98 D ATOM 2847 HA GLN A 210 9.232 -27.953 -15.195 1.00 9.40 H ATOM 2848 HB2 GLN A 210 6.653 -28.397 -16.732 1.00 14.10 H ATOM 2849 HB3 GLN A 210 8.173 -27.833 -17.493 1.00 11.56 H ATOM 2850 HG2 GLN A 210 7.979 -30.420 -15.936 1.00 13.22 H ATOM 2851 HG3 GLN A 210 7.686 -30.288 -17.684 1.00 14.06 H ATOM 2852 HE21AGLN A 210 11.168 -31.364 -17.451 0.07 12.28 H ATOM 2853 DE21BGLN A 210 11.168 -31.364 -17.451 0.93 12.28 D ATOM 2854 HE22AGLN A 210 9.573 -32.006 -17.028 0.04 13.68 H ATOM 2855 DE22BGLN A 210 9.573 -32.006 -17.028 0.96 13.68 D ATOM 2856 N GLY A 211 6.892 -25.711 -14.889 1.00 7.80 N ATOM 2857 CA GLY A 211 6.600 -24.304 -15.058 1.00 7.93 C ATOM 2858 C GLY A 211 5.981 -23.680 -13.822 1.00 7.67 C ATOM 2859 O GLY A 211 5.470 -24.364 -12.933 1.00 10.09 O ATOM 2860 H AGLY A 211 6.187 -26.231 -14.364 1.00 8.23 H ATOM 2861 D BGLY A 211 6.187 -26.231 -14.364 0.00 8.23 D ATOM 2862 HA2 GLY A 211 7.520 -23.782 -15.296 1.00 7.93 H ATOM 2863 HA3 GLY A 211 5.916 -24.158 -15.891 1.00 10.43 H ATOM 2864 N ILE A 212 6.042 -22.345 -13.796 1.00 7.33 N ATOM 2865 CA ILE A 212 5.401 -21.505 -12.789 1.00 5.85 C ATOM 2866 C ILE A 212 4.566 -20.465 -13.530 1.00 5.28 C ATOM 2867 O ILE A 212 5.061 -19.827 -14.464 1.00 6.71 O ATOM 2868 CB ILE A 212 6.461 -20.804 -11.915 1.00 7.32 C ATOM 2869 CG1 ILE A 212 7.273 -21.841 -11.155 1.00 11.15 C ATOM 2870 CG2 ILE A 212 5.828 -19.862 -10.885 1.00 6.88 C ATOM 2871 CD1 ILE A 212 8.518 -21.265 -10.516 1.00 13.65 C ATOM 2872 H AILE A 212 6.536 -21.808 -14.509 1.00 8.79 H ATOM 2873 D BILE A 212 6.536 -21.808 -14.509 0.00 8.79 D ATOM 2874 HA ILE A 212 4.766 -22.130 -12.158 1.00 9.41 H ATOM 2875 HB ILE A 212 7.113 -20.216 -12.557 1.00 8.90 H ATOM 2876 HG12 ILE A 212 6.646 -22.264 -10.364 1.00 15.88 H ATOM 2877 HG13 ILE A 212 7.577 -22.636 -11.835 1.00 12.78 H ATOM 2878 HG21 ILE A 212 5.191 -20.449 -10.231 1.00 12.28 H ATOM 2879 HG22 ILE A 212 6.606 -19.402 -10.281 1.00 13.76 H ATOM 2880 HG23 ILE A 212 5.236 -19.092 -11.373 1.00 11.89 H ATOM 2881 HD11 ILE A 212 8.241 -20.696 -9.631 1.00 14.05 H ATOM 2882 HD12 ILE A 212 9.185 -22.075 -10.237 1.00 14.58 H ATOM 2883 HD13 ILE A 212 9.004 -20.606 -11.232 1.00 14.53 H ATOM 2884 N VAL A 213 3.301 -20.308 -13.133 1.00 7.20 N ATOM 2885 CA VAL A 213 2.428 -19.334 -13.779 1.00 5.34 C ATOM 2886 C VAL A 213 3.043 -17.959 -13.597 1.00 6.31 C ATOM 2887 O VAL A 213 3.221 -17.485 -12.470 1.00 7.31 O ATOM 2888 CB VAL A 213 1.019 -19.385 -13.178 1.00 6.83 C ATOM 2889 CG1 VAL A 213 0.110 -18.354 -13.846 1.00 7.49 C ATOM 2890 CG2 VAL A 213 0.406 -20.773 -13.275 1.00 7.69 C ATOM 2891 H AVAL A 213 2.858 -20.840 -12.388 0.98 7.28 H ATOM 2892 D BVAL A 213 2.858 -20.840 -12.388 0.02 7.28 D ATOM 2893 HA VAL A 213 2.369 -19.548 -14.845 1.00 8.54 H ATOM 2894 HB VAL A 213 1.101 -19.129 -12.127 1.00 9.97 H ATOM 2895 HG11 VAL A 213 0.033 -18.597 -14.903 1.00 9.43 H ATOM 2896 HG12 VAL A 213 -0.878 -18.391 -13.390 1.00 12.07 H ATOM 2897 HG13 VAL A 213 0.526 -17.354 -13.723 1.00 10.00 H ATOM 2898 HG21 VAL A 213 -0.552 -20.742 -12.759 1.00 10.37 H ATOM 2899 HG22 VAL A 213 0.242 -21.042 -14.316 1.00 11.29 H ATOM 2900 HG23 VAL A 213 1.040 -21.506 -12.780 1.00 9.61 H ATOM 2901 N SER A 214 3.387 -17.313 -14.709 1.00 6.93 N ATOM 2902 CA SER A 214 4.122 -16.054 -14.648 1.00 5.53 C ATOM 2903 C SER A 214 3.338 -14.874 -15.216 1.00 7.50 C ATOM 2904 O SER A 214 2.956 -13.988 -14.450 1.00 13.52 O ATOM 2905 CB SER A 214 5.522 -16.198 -15.253 1.00 8.82 C ATOM 2906 OG SER A 214 6.224 -14.974 -15.158 1.00 8.94 O ATOM 2907 H ASER A 214 3.224 -17.704 -15.641 0.05 7.52 H ATOM 2908 D BSER A 214 3.224 -17.704 -15.641 0.95 7.52 D ATOM 2909 HA SER A 214 4.267 -15.808 -13.601 1.00 9.23 H ATOM 2910 HB2 SER A 214 6.071 -16.961 -14.702 1.00 11.65 H ATOM 2911 HB3 SER A 214 5.447 -16.489 -16.298 1.00 6.24 H ATOM 2912 HG ASER A 214 6.427 -14.767 -14.222 0.21 8.19 H ATOM 2913 DG BSER A 214 6.427 -14.767 -14.222 0.79 8.19 D ATOM 2914 N TRP A 215 3.093 -14.814 -16.521 1.00 7.05 N ATOM 2915 CA TRP A 215 2.449 -13.636 -17.089 1.00 9.37 C ATOM 2916 C TRP A 215 1.744 -13.982 -18.397 1.00 11.64 C ATOM 2917 O TRP A 215 1.761 -15.119 -18.867 1.00 9.82 O ATOM 2918 CB TRP A 215 3.455 -12.488 -17.267 1.00 9.12 C ATOM 2919 CG TRP A 215 4.588 -12.742 -18.255 1.00 9.12 C ATOM 2920 CD1 TRP A 215 5.760 -13.398 -18.010 1.00 7.46 C ATOM 2921 CD2 TRP A 215 4.647 -12.327 -19.633 1.00 12.04 C ATOM 2922 NE1 TRP A 215 6.543 -13.423 -19.142 1.00 11.29 N ATOM 2923 CE2 TRP A 215 5.881 -12.773 -20.152 1.00 11.56 C ATOM 2924 CE3 TRP A 215 3.778 -11.629 -20.474 1.00 14.98 C ATOM 2925 CZ2 TRP A 215 6.263 -12.543 -21.470 1.00 11.31 C ATOM 2926 CZ3 TRP A 215 4.160 -11.402 -21.789 1.00 14.39 C ATOM 2927 CH2 TRP A 215 5.389 -11.856 -22.272 1.00 12.99 C ATOM 2928 H ATRP A 215 3.352 -15.546 -17.178 0.00 8.07 H ATOM 2929 D BTRP A 215 3.352 -15.546 -17.178 1.00 8.07 D ATOM 2930 HA TRP A 215 1.684 -13.290 -16.391 1.00 11.17 H ATOM 2931 HB2 TRP A 215 2.922 -11.593 -17.593 1.00 8.44 H ATOM 2932 HB3 TRP A 215 3.909 -12.322 -16.291 1.00 10.23 H ATOM 2933 HD1 TRP A 215 6.053 -13.840 -17.072 1.00 10.56 H ATOM 2934 HE1ATRP A 215 7.466 -13.852 -19.216 0.12 11.71 H ATOM 2935 DE1BTRP A 215 7.466 -13.852 -19.216 0.88 11.71 D ATOM 2936 HE3 TRP A 215 2.825 -11.271 -20.117 1.00 21.06 H ATOM 2937 HZ2 TRP A 215 7.210 -12.891 -21.850 1.00 14.46 H ATOM 2938 HZ3 TRP A 215 3.499 -10.861 -22.450 1.00 16.49 H ATOM 2939 HH2 TRP A 215 5.661 -11.662 -23.299 1.00 16.60 H ATOM 2940 N GLY A 216 1.090 -12.972 -18.956 1.00 10.44 N ATOM 2941 CA GLY A 216 0.487 -13.051 -20.274 1.00 10.56 C ATOM 2942 C GLY A 216 -0.213 -11.739 -20.546 1.00 13.15 C ATOM 2943 O GLY A 216 -0.247 -10.843 -19.699 1.00 17.73 O ATOM 2944 H AGLY A 216 0.952 -12.075 -18.501 0.11 11.28 H ATOM 2945 D BGLY A 216 0.952 -12.075 -18.501 0.89 11.28 D ATOM 2946 HA2 GLY A 216 1.256 -13.226 -21.031 1.00 13.46 H ATOM 2947 HA3 GLY A 216 -0.243 -13.855 -20.311 1.00 12.61 H ATOM 2948 N SER A 217 -0.768 -11.623 -21.742 1.00 14.63 N ATOM 2949 CA SER A 217 -1.510 -10.419 -22.116 1.00 15.00 C ATOM 2950 C SER A 217 -2.992 -10.722 -21.946 1.00 11.25 C ATOM 2951 O SER A 217 -3.614 -11.339 -22.812 1.00 18.94 O ATOM 2952 CB SER A 217 -1.180 -9.968 -23.533 1.00 16.70 C ATOM 2953 OG SER A 217 -1.867 -8.765 -23.846 1.00 23.30 O ATOM 2954 H ASER A 217 -0.707 -12.329 -22.475 0.15 14.41 H ATOM 2955 D BSER A 217 -0.707 -12.329 -22.475 0.85 14.41 D ATOM 2956 HA SER A 217 -1.227 -9.611 -21.443 1.00 15.44 H ATOM 2957 N GLY A 219 -3.553 -10.296 -20.815 1.00 14.20 N ATOM 2958 CA GLY A 219 -4.910 -10.663 -20.498 1.00 15.68 C ATOM 2959 C GLY A 219 -4.970 -12.162 -20.247 1.00 13.31 C ATOM 2960 O GLY A 219 -3.970 -12.813 -19.939 1.00 15.36 O ATOM 2961 H AGLY A 219 -3.080 -9.747 -20.107 0.12 11.21 H ATOM 2962 D BGLY A 219 -3.080 -9.747 -20.107 0.88 11.21 D ATOM 2963 HA2 GLY A 219 -5.234 -10.145 -19.598 1.00 18.44 H ATOM 2964 HA3 GLY A 219 -5.580 -10.402 -21.320 1.00 18.10 H ATOM 2965 N CYS A 220 -6.170 -12.713 -20.408 1.00 13.00 N ATOM 2966 CA CYS A 220 -6.396 -14.137 -20.197 1.00 13.73 C ATOM 2967 C CYS A 220 -7.231 -14.701 -21.333 1.00 14.83 C ATOM 2968 O CYS A 220 -8.276 -14.144 -21.684 1.00 14.51 O ATOM 2969 CB CYS A 220 -7.101 -14.378 -18.868 1.00 13.19 C ATOM 2970 SG CYS A 220 -6.312 -13.530 -17.484 1.00 13.02 S ATOM 2971 H ACYS A 220 -7.006 -12.200 -20.687 0.00 19.05 H ATOM 2972 D BCYS A 220 -7.006 -12.200 -20.687 1.00 19.05 D ATOM 2973 HA CYS A 220 -5.438 -14.659 -20.171 1.00 12.97 H ATOM 2974 HB3 CYS A 220 -7.124 -15.447 -18.652 1.00 14.95 H ATOM 2975 N ALA A 221 -6.755 -15.799 -21.909 1.00 11.76 N ATOM 2976 CA ALA A 221 -7.532 -16.602 -22.851 1.00 14.03 C ATOM 2977 C ALA A 221 -7.863 -15.846 -24.136 1.00 11.61 C ATOM 2978 O ALA A 221 -8.852 -16.151 -24.805 1.00 17.32 O ATOM 2979 CB ALA A 221 -8.804 -17.163 -22.210 1.00 14.03 C ATOM 2980 H AALA A 221 -5.805 -16.140 -21.758 0.11 11.65 H ATOM 2981 D BALA A 221 -5.805 -16.140 -21.758 0.89 11.65 D ATOM 2982 HA ALA A 221 -6.898 -17.443 -23.124 1.00 14.08 H ATOM 2983 HB1 ALA A 221 -8.523 -17.863 -21.424 1.00 14.76 H ATOM 2984 HB2 ALA A 221 -9.386 -16.342 -21.794 1.00 16.88 H ATOM 2985 HB3 ALA A 221 -9.390 -17.686 -22.963 1.00 17.20 H ATOM 2986 N GLN A 221A -7.040 -14.872 -24.507 1.00 16.48 N ATOM 2987 CA GLN A 221A -7.245 -14.165 -25.765 1.00 17.41 C ATOM 2988 C GLN A 221A -6.567 -14.900 -26.914 1.00 13.76 C ATOM 2989 O GLN A 221A -5.558 -15.586 -26.737 1.00 14.60 O ATOM 2990 CB GLN A 221A -6.717 -12.732 -25.696 1.00 16.77 C ATOM 2991 CG GLN A 221A -7.333 -11.892 -24.591 1.00 21.41 C ATOM 2992 CD GLN A 221A -8.847 -11.876 -24.653 1.00 31.58 C ATOM 2993 OE1 GLN A 221A -9.434 -11.501 -25.671 1.00 35.48 O ATOM 2994 NE2 GLN A 221A -9.490 -12.295 -23.565 1.00 34.63 N ATOM 2995 H AGLN A 221A -6.226 -14.566 -23.969 0.00 14.01 H ATOM 2996 D BGLN A 221A -6.226 -14.566 -23.969 1.00 14.01 D ATOM 2997 HA GLN A 221A -8.310 -14.112 -25.985 1.00 19.73 H ATOM 2998 HB3 GLN A 221A -6.921 -12.241 -26.650 1.00 18.41 H ATOM 2999 HG2 GLN A 221A -7.039 -12.301 -23.625 1.00 24.20 H ATOM 3000 HE21AGLN A 221A -10.511 -12.344 -23.572 0.28 20.06 H ATOM 3001 DE21BGLN A 221A -10.511 -12.344 -23.572 0.72 20.06 D ATOM 3002 N LYS A 222 -7.130 -14.731 -28.108 1.00 14.40 N ATOM 3003 CA LYS A 222 -6.542 -15.316 -29.305 1.00 19.82 C ATOM 3004 C LYS A 222 -5.100 -14.853 -29.475 1.00 15.87 C ATOM 3005 O LYS A 222 -4.778 -13.677 -29.284 1.00 17.42 O ATOM 3006 CB LYS A 222 -7.356 -14.928 -30.540 1.00 19.43 C ATOM 3007 H ALYS A 222 -7.990 -14.207 -28.255 0.12 17.73 H ATOM 3008 D BLYS A 222 -7.990 -14.207 -28.255 0.88 17.73 D ATOM 3009 HB3 LYS A 222 -6.889 -14.065 -31.017 1.00 23.11 H ATOM 3010 N ASN A 223 -4.230 -15.798 -29.822 1.00 15.29 N ATOM 3011 CA ASN A 223 -2.822 -15.537 -30.134 1.00 18.14 C ATOM 3012 C ASN A 223 -2.030 -14.966 -28.958 1.00 16.70 C ATOM 3013 O ASN A 223 -0.954 -14.393 -29.155 1.00 19.24 O ATOM 3014 CB ASN A 223 -2.654 -14.641 -31.368 1.00 24.17 C ATOM 3015 CG ASN A 223 -3.068 -15.330 -32.654 1.00 35.63 C ATOM 3016 OD1 ASN A 223 -2.683 -16.473 -32.914 1.00 28.63 O ATOM 3017 ND2 ASN A 223 -3.866 -14.638 -33.466 1.00 35.03 N ATOM 3018 H AASN A 223 -4.487 -16.783 -29.898 0.00 20.54 H ATOM 3019 D BASN A 223 -4.487 -16.783 -29.898 1.00 20.54 D ATOM 3020 HA ASN A 223 -2.363 -16.494 -30.375 1.00 19.24 H ATOM 3021 HB2 ASN A 223 -3.252 -13.737 -31.265 1.00 20.69 H ATOM 3022 HD21AASN A 223 -4.345 -13.803 -33.119 0.20 25.45 H ATOM 3023 DD21BASN A 223 -4.345 -13.803 -33.119 0.80 25.45 D ATOM 3024 N LYS A 224 -2.524 -15.109 -27.729 1.00 15.05 N ATOM 3025 CA LYS A 224 -1.818 -14.619 -26.543 1.00 13.31 C ATOM 3026 C LYS A 224 -1.861 -15.682 -25.461 1.00 13.74 C ATOM 3027 O LYS A 224 -2.596 -15.561 -24.474 1.00 15.58 O ATOM 3028 CB LYS A 224 -2.418 -13.305 -26.040 1.00 14.95 C ATOM 3029 CG LYS A 224 -2.222 -12.145 -27.009 1.00 20.97 C ATOM 3030 CD LYS A 224 -0.752 -11.715 -27.121 1.00 22.50 C ATOM 3031 CE LYS A 224 -0.573 -10.628 -28.181 1.00 34.97 C ATOM 3032 NZ LYS A 224 0.835 -10.142 -28.308 1.00 29.87 N ATOM 3033 H ALYS A 224 -3.420 -15.555 -27.540 0.00 15.82 H ATOM 3034 D BLYS A 224 -3.420 -15.555 -27.540 1.00 15.82 D ATOM 3035 HA LYS A 224 -0.779 -14.424 -26.806 1.00 18.47 H ATOM 3036 HB2 LYS A 224 -3.491 -13.442 -25.892 1.00 18.43 H ATOM 3037 HB3 LYS A 224 -1.947 -13.041 -25.092 1.00 18.74 H ATOM 3038 HZ1ALYS A 224 1.153 -9.733 -27.403 0.27 15.57 H ATOM 3039 DZ1BLYS A 224 1.153 -9.733 -27.403 0.73 15.57 D ATOM 3040 HZ2ALYS A 224 1.463 -10.930 -28.567 0.31 22.60 H ATOM 3041 DZ2BLYS A 224 1.463 -10.930 -28.567 0.69 22.60 D ATOM 3042 HZ3ALYS A 224 0.888 -9.413 -29.053 0.22 24.63 H ATOM 3043 DZ3BLYS A 224 0.888 -9.413 -29.053 0.78 24.63 D ATOM 3044 N PRO A 225 -1.077 -16.741 -25.615 1.00 12.26 N ATOM 3045 CA PRO A 225 -1.076 -17.809 -24.614 1.00 11.89 C ATOM 3046 C PRO A 225 -0.361 -17.359 -23.352 1.00 14.32 C ATOM 3047 O PRO A 225 0.335 -16.346 -23.317 1.00 14.24 O ATOM 3048 CB PRO A 225 -0.329 -18.944 -25.314 1.00 12.16 C ATOM 3049 CG PRO A 225 0.600 -18.233 -26.242 1.00 13.60 C ATOM 3050 CD PRO A 225 -0.135 -17.015 -26.711 1.00 13.20 C ATOM 3051 HA PRO A 225 -2.091 -18.116 -24.378 1.00 13.29 H ATOM 3052 HB2 PRO A 225 0.222 -19.536 -24.582 1.00 12.55 H ATOM 3053 HB3 PRO A 225 -1.035 -19.565 -25.865 1.00 21.28 H ATOM 3054 HG2 PRO A 225 1.498 -17.948 -25.697 1.00 14.86 H ATOM 3055 HG3 PRO A 225 0.853 -18.876 -27.083 1.00 19.21 H ATOM 3056 HD2 PRO A 225 0.545 -16.173 -26.829 1.00 20.22 H ATOM 3057 HD3 PRO A 225 -0.662 -17.222 -27.640 1.00 15.43 H ATOM 3058 N GLY A 226 -0.540 -18.151 -22.303 1.00 11.88 N ATOM 3059 CA GLY A 226 0.149 -17.884 -21.054 1.00 9.44 C ATOM 3060 C GLY A 226 1.638 -18.148 -21.167 1.00 10.31 C ATOM 3061 O GLY A 226 2.084 -19.018 -21.908 1.00 7.72 O ATOM 3062 H AGLY A 226 -1.105 -19.002 -22.316 0.24 11.58 H ATOM 3063 D BGLY A 226 -1.105 -19.002 -22.316 0.76 11.58 D ATOM 3064 HA2 GLY A 226 -0.013 -16.847 -20.765 1.00 14.89 H ATOM 3065 HA3 GLY A 226 -0.253 -18.527 -20.269 1.00 12.49 H ATOM 3066 N VAL A 227 2.416 -17.371 -20.411 1.00 8.04 N ATOM 3067 CA VAL A 227 3.869 -17.505 -20.347 1.00 6.53 C ATOM 3068 C VAL A 227 4.260 -17.981 -18.957 1.00 8.38 C ATOM 3069 O VAL A 227 3.698 -17.530 -17.949 1.00 9.12 O ATOM 3070 CB VAL A 227 4.575 -16.177 -20.686 1.00 7.66 C ATOM 3071 CG1 VAL A 227 6.073 -16.384 -20.806 1.00 8.54 C ATOM 3072 CG2 VAL A 227 3.998 -15.577 -21.968 1.00 11.51 C ATOM 3073 H AVAL A 227 2.045 -16.618 -19.831 0.12 9.99 H ATOM 3074 D BVAL A 227 2.045 -16.618 -19.831 0.88 9.99 D ATOM 3075 HA VAL A 227 4.189 -18.262 -21.062 1.00 8.80 H ATOM 3076 HB VAL A 227 4.382 -15.488 -19.866 1.00 8.65 H ATOM 3077 HG11 VAL A 227 6.521 -15.498 -21.248 1.00 12.82 H ATOM 3078 HG12 VAL A 227 6.474 -16.552 -19.811 1.00 12.51 H ATOM 3079 HG13 VAL A 227 6.275 -17.252 -21.432 1.00 10.26 H ATOM 3080 HG21 VAL A 227 4.173 -16.267 -22.796 1.00 12.33 H ATOM 3081 HG22 VAL A 227 2.927 -15.418 -21.839 1.00 15.54 H ATOM 3082 HG23 VAL A 227 4.489 -14.625 -22.165 1.00 13.13 H ATOM 3083 N TYR A 228 5.217 -18.905 -18.907 1.00 6.02 N ATOM 3084 CA TYR A 228 5.545 -19.618 -17.684 1.00 7.84 C ATOM 3085 C TYR A 228 7.045 -19.622 -17.450 1.00 6.56 C ATOM 3086 O TYR A 228 7.825 -19.709 -18.403 1.00 8.66 O ATOM 3087 CB TYR A 228 5.016 -21.047 -17.811 1.00 5.39 C ATOM 3088 CG TYR A 228 3.512 -21.071 -17.976 1.00 6.74 C ATOM 3089 CD1 TYR A 228 2.696 -21.113 -16.872 1.00 6.82 C ATOM 3090 CD2 TYR A 228 2.912 -21.004 -19.230 1.00 7.14 C ATOM 3091 CE1 TYR A 228 1.325 -21.117 -16.992 1.00 8.90 C ATOM 3092 CE2 TYR A 228 1.519 -21.012 -19.363 1.00 7.64 C ATOM 3093 CZ TYR A 228 0.739 -21.062 -18.233 1.00 8.76 C ATOM 3094 OH TYR A 228 -0.642 -21.064 -18.302 1.00 9.68 O ATOM 3095 H ATYR A 228 5.770 -19.195 -19.717 1.00 7.51 H ATOM 3096 D BTYR A 228 5.770 -19.195 -19.717 0.00 7.51 D ATOM 3097 HA TYR A 228 5.079 -19.117 -16.838 1.00 5.90 H ATOM 3098 HB2 TYR A 228 5.470 -21.511 -18.686 1.00 8.52 H ATOM 3099 HB3 TYR A 228 5.273 -21.604 -16.910 1.00 6.66 H ATOM 3100 HD1 TYR A 228 3.136 -21.163 -15.888 1.00 8.76 H ATOM 3101 HD2 TYR A 228 3.522 -20.954 -20.119 1.00 10.00 H ATOM 3102 HE1 TYR A 228 0.715 -21.164 -16.106 1.00 9.64 H ATOM 3103 HE2 TYR A 228 1.071 -20.956 -20.343 1.00 7.73 H ATOM 3104 HH ATYR A 228 -0.961 -20.960 -19.220 0.17 8.50 H ATOM 3105 DH BTYR A 228 -0.961 -20.960 -19.220 0.83 8.50 D ATOM 3106 N THR A 229 7.447 -19.542 -16.181 1.00 7.05 N ATOM 3107 CA THR A 229 8.863 -19.638 -15.850 1.00 6.35 C ATOM 3108 C THR A 229 9.340 -21.062 -16.101 1.00 9.00 C ATOM 3109 O THR A 229 8.685 -22.024 -15.695 1.00 8.38 O ATOM 3110 CB THR A 229 9.091 -19.277 -14.385 1.00 7.41 C ATOM 3111 OG1 THR A 229 8.536 -17.978 -14.121 1.00 6.77 O ATOM 3112 CG2 THR A 229 10.576 -19.273 -14.072 1.00 9.86 C ATOM 3113 H ATHR A 229 6.820 -19.442 -15.380 1.00 6.45 H ATOM 3114 D BTHR A 229 6.820 -19.442 -15.380 0.00 6.45 D ATOM 3115 HA THR A 229 9.441 -18.952 -16.472 1.00 9.89 H ATOM 3116 HB THR A 229 8.637 -20.026 -13.742 1.00 7.99 H ATOM 3117 HG1ATHR A 229 8.722 -17.706 -13.202 0.12 8.39 H ATOM 3118 DG1BTHR A 229 8.722 -17.706 -13.202 0.88 8.39 D ATOM 3119 HG21 THR A 229 11.112 -18.668 -14.800 1.00 13.99 H ATOM 3120 HG22 THR A 229 10.763 -18.862 -13.081 1.00 10.63 H ATOM 3121 HG23 THR A 229 10.981 -20.283 -14.112 1.00 11.83 H ATOM 3122 N LYS A 230 10.481 -21.195 -16.777 1.00 8.45 N ATOM 3123 CA LYS A 230 11.000 -22.505 -17.193 1.00 6.87 C ATOM 3124 C LYS A 230 11.834 -23.103 -16.058 1.00 7.94 C ATOM 3125 O LYS A 230 13.034 -22.843 -15.933 1.00 8.98 O ATOM 3126 CB ALYS A 230 11.811 -22.346 -18.472 0.52 9.49 C ATOM 3127 CB CLYS A 230 11.816 -22.366 -18.472 0.48 9.52 C ATOM 3128 CG ALYS A 230 12.184 -23.656 -19.137 0.52 11.92 C ATOM 3129 CG CLYS A 230 12.111 -23.701 -19.149 0.48 11.88 C ATOM 3130 CD ALYS A 230 12.669 -23.418 -20.554 0.52 12.56 C ATOM 3131 CD CLYS A 230 13.126 -23.559 -20.275 0.48 13.90 C ATOM 3132 CE ALYS A 230 13.262 -24.684 -21.145 0.52 13.48 C ATOM 3133 CE CLYS A 230 12.562 -22.762 -21.439 0.48 14.22 C ATOM 3134 NZ ALYS A 230 13.630 -24.501 -22.564 0.52 20.58 N ATOM 3135 NZ CLYS A 230 13.518 -22.649 -22.587 0.48 17.21 N ATOM 3136 H ALYS A 230 11.056 -20.407 -17.074 1.00 8.58 H ATOM 3137 D BLYS A 230 11.056 -20.407 -17.074 0.00 8.58 D ATOM 3138 HA LYS A 230 10.158 -23.169 -17.401 1.00 10.15 H ATOM 3139 HB2ALYS A 230 11.228 -21.765 -19.187 0.52 9.42 H ATOM 3140 HB2CLYS A 230 11.264 -21.745 -19.177 0.48 9.44 H ATOM 3141 HB3ALYS A 230 12.734 -21.814 -18.232 0.52 10.53 H ATOM 3142 HB3CLYS A 230 12.769 -21.893 -18.227 0.48 10.56 H ATOM 3143 HG2ALYS A 230 12.991 -24.131 -18.579 0.52 13.31 H ATOM 3144 HG2CLYS A 230 12.511 -24.397 -18.411 0.48 12.69 H ATOM 3145 HG3ALYS A 230 11.311 -24.309 -19.170 0.52 12.52 H ATOM 3146 HG3CLYS A 230 11.188 -24.097 -19.573 0.48 12.57 H ATOM 3147 HD2ALYS A 230 11.833 -23.099 -21.179 0.52 13.23 H ATOM 3148 HD2CLYS A 230 13.375 -24.555 -20.637 0.48 12.92 H ATOM 3149 HD3ALYS A 230 13.443 -22.650 -20.542 0.52 12.74 H ATOM 3150 HE3ALYS A 230 12.524 -25.482 -21.085 0.52 13.86 H ATOM 3151 HE3CLYS A 230 12.323 -21.761 -21.090 0.48 13.67 H ATOM 3152 DZ1ALYS A 230 14.456 -23.869 -22.626 0.52 16.80 D ATOM 3153 DZ1CLYS A 230 13.067 -22.152 -23.380 0.48 18.20 D ATOM 3154 DZ2ALYS A 230 13.868 -25.418 -23.001 0.52 18.28 D ATOM 3155 DZ2CLYS A 230 13.796 -23.602 -22.894 0.48 18.91 D ATOM 3156 DZ3ALYS A 230 12.825 -24.082 -23.075 0.52 14.42 D ATOM 3157 DZ3CLYS A 230 14.375 -22.121 -22.313 0.48 17.98 D ATOM 3158 N VAL A 231 11.195 -23.942 -15.234 1.00 8.20 N ATOM 3159 CA VAL A 231 11.802 -24.392 -13.976 1.00 7.25 C ATOM 3160 C VAL A 231 13.082 -25.185 -14.202 1.00 10.28 C ATOM 3161 O VAL A 231 14.004 -25.123 -13.385 1.00 8.94 O ATOM 3162 CB VAL A 231 10.778 -25.185 -13.145 1.00 9.05 C ATOM 3163 CG1 VAL A 231 11.434 -25.891 -11.942 1.00 11.01 C ATOM 3164 CG2 VAL A 231 9.680 -24.260 -12.684 1.00 11.35 C ATOM 3165 H AVAL A 231 10.254 -24.295 -15.408 0.89 10.34 H ATOM 3166 D BVAL A 231 10.254 -24.295 -15.408 0.11 10.34 D ATOM 3167 HA VAL A 231 12.074 -23.515 -13.388 1.00 11.13 H ATOM 3168 HB VAL A 231 10.351 -25.968 -13.769 1.00 11.05 H ATOM 3169 HG11 VAL A 231 11.951 -25.158 -11.322 1.00 12.61 H ATOM 3170 HG12 VAL A 231 10.670 -26.395 -11.347 1.00 12.01 H ATOM 3171 HG13 VAL A 231 12.137 -26.645 -12.297 1.00 11.33 H ATOM 3172 HG21 VAL A 231 9.163 -23.839 -13.546 1.00 10.46 H ATOM 3173 HG22 VAL A 231 8.995 -24.832 -12.064 1.00 11.54 H ATOM 3174 HG23 VAL A 231 10.126 -23.460 -12.097 1.00 12.77 H ATOM 3175 N CYS A 232 13.159 -25.960 -15.290 1.00 8.59 N ATOM 3176 CA CYS A 232 14.349 -26.782 -15.513 1.00 7.60 C ATOM 3177 C CYS A 232 15.642 -25.972 -15.560 1.00 8.33 C ATOM 3178 O CYS A 232 16.721 -26.537 -15.361 1.00 12.22 O ATOM 3179 CB CYS A 232 14.221 -27.597 -16.803 1.00 8.83 C ATOM 3180 SG CYS A 232 14.212 -26.595 -18.295 1.00 14.84 S ATOM 3181 H ACYS A 232 12.423 -26.019 -15.995 0.00 9.89 H ATOM 3182 D BCYS A 232 12.423 -26.019 -15.995 1.00 9.89 D ATOM 3183 HA CYS A 232 14.456 -27.494 -14.694 1.00 9.58 H ATOM 3184 HB2 CYS A 232 15.070 -28.278 -16.871 1.00 10.91 H ATOM 3185 HB3 CYS A 232 13.294 -28.167 -16.776 1.00 15.10 H ATOM 3186 N ASN A 233 15.572 -24.677 -15.832 1.00 8.42 N ATOM 3187 CA ASN A 233 16.777 -23.853 -15.833 1.00 9.49 C ATOM 3188 C ASN A 233 17.252 -23.505 -14.427 1.00 12.11 C ATOM 3189 O ASN A 233 18.366 -22.998 -14.269 1.00 13.51 O ATOM 3190 CB ASN A 233 16.526 -22.550 -16.596 1.00 10.53 C ATOM 3191 CG ASN A 233 16.402 -22.757 -18.090 1.00 11.87 C ATOM 3192 OD1 ASN A 233 16.508 -23.877 -18.587 1.00 13.48 O ATOM 3193 ND2 ASN A 233 16.162 -21.668 -18.816 1.00 15.15 N ATOM 3194 H AASN A 233 14.708 -24.186 -16.048 0.00 11.21 H ATOM 3195 D BASN A 233 14.708 -24.186 -16.048 1.00 11.21 D ATOM 3196 HA ASN A 233 17.569 -24.401 -16.348 1.00 11.36 H ATOM 3197 HB2 ASN A 233 15.600 -22.104 -16.233 1.00 13.28 H ATOM 3198 HB3 ASN A 233 17.360 -21.873 -16.414 1.00 14.72 H ATOM 3199 HD21AASN A 233 15.945 -21.747 -19.803 0.17 12.47 H ATOM 3200 DD21BASN A 233 15.945 -21.747 -19.803 0.83 12.47 D ATOM 3201 HD22AASN A 233 16.190 -20.747 -18.366 0.09 12.93 H ATOM 3202 DD22BASN A 233 16.190 -20.747 -18.366 0.91 12.93 D ATOM 3203 N TYR A 234 16.431 -23.750 -13.410 1.00 7.85 N ATOM 3204 CA TYR A 234 16.707 -23.283 -12.058 1.00 6.96 C ATOM 3205 C TYR A 234 16.974 -24.393 -11.051 1.00 11.07 C ATOM 3206 O TYR A 234 17.109 -24.111 -9.856 1.00 11.23 O ATOM 3207 CB TYR A 234 15.550 -22.416 -11.567 1.00 6.96 C ATOM 3208 CG TYR A 234 15.367 -21.205 -12.438 1.00 9.53 C ATOM 3209 CD1 TYR A 234 16.153 -20.070 -12.274 1.00 8.34 C ATOM 3210 CD2 TYR A 234 14.427 -21.204 -13.446 1.00 8.83 C ATOM 3211 CE1 TYR A 234 15.992 -18.960 -13.104 1.00 8.42 C ATOM 3212 CE2 TYR A 234 14.262 -20.102 -14.281 1.00 7.44 C ATOM 3213 CZ TYR A 234 15.036 -18.984 -14.101 1.00 6.59 C ATOM 3214 OH TYR A 234 14.859 -17.897 -14.928 1.00 9.70 O ATOM 3215 H ATYR A 234 15.537 -24.225 -13.529 0.00 8.71 H ATOM 3216 D BTYR A 234 15.537 -24.225 -13.529 1.00 8.71 D ATOM 3217 HA TYR A 234 17.595 -22.649 -12.090 1.00 11.85 H ATOM 3218 HB2 TYR A 234 14.626 -22.997 -11.589 1.00 11.78 H ATOM 3219 HB3 TYR A 234 15.751 -22.090 -10.545 1.00 10.00 H ATOM 3220 HD1 TYR A 234 16.903 -20.047 -11.497 1.00 9.62 H ATOM 3221 HD2 TYR A 234 13.813 -22.081 -13.592 1.00 11.14 H ATOM 3222 HE1 TYR A 234 16.603 -18.085 -12.968 1.00 9.00 H ATOM 3223 HE2 TYR A 234 13.513 -20.121 -15.056 1.00 12.19 H ATOM 3224 HH ATYR A 234 15.538 -17.213 -14.751 0.00 9.43 H ATOM 3225 DH BTYR A 234 15.538 -17.213 -14.751 1.00 9.43 D ATOM 3226 N VAL A 235 17.071 -25.644 -11.499 1.00 12.53 N ATOM 3227 CA VAL A 235 17.202 -26.759 -10.560 1.00 12.52 C ATOM 3228 C VAL A 235 18.473 -26.636 -9.723 1.00 9.43 C ATOM 3229 O VAL A 235 18.455 -26.887 -8.512 1.00 13.36 O ATOM 3230 CB VAL A 235 17.112 -28.107 -11.299 1.00 15.11 C ATOM 3231 CG1 VAL A 235 17.389 -29.262 -10.346 1.00 18.53 C ATOM 3232 CG2 VAL A 235 15.748 -28.266 -11.905 1.00 12.93 C ATOM 3233 H AVAL A 235 17.067 -25.899 -12.481 0.00 12.19 H ATOM 3234 D BVAL A 235 17.067 -25.899 -12.481 1.00 12.19 D ATOM 3235 HA VAL A 235 16.373 -26.712 -9.852 1.00 15.53 H ATOM 3236 HG11 VAL A 235 18.462 -29.329 -10.173 1.00 21.49 H ATOM 3237 HG12 VAL A 235 16.874 -29.079 -9.402 1.00 20.39 H ATOM 3238 HG13 VAL A 235 17.021 -30.184 -10.795 1.00 20.09 H ATOM 3239 HG21 VAL A 235 15.684 -29.220 -12.424 1.00 13.90 H ATOM 3240 HG23 VAL A 235 15.559 -27.449 -12.596 1.00 15.47 H ATOM 3241 N SER A 236 19.594 -26.253 -10.338 1.00 11.04 N ATOM 3242 CA SER A 236 20.835 -26.133 -9.579 1.00 11.65 C ATOM 3243 C SER A 236 20.703 -25.067 -8.498 1.00 12.19 C ATOM 3244 O SER A 236 21.070 -25.291 -7.338 1.00 13.12 O ATOM 3245 CB SER A 236 22.001 -25.818 -10.518 1.00 15.01 C ATOM 3246 H ASER A 236 19.674 -26.028 -11.329 0.06 11.68 H ATOM 3247 D BSER A 236 19.674 -26.028 -11.329 0.94 11.68 D ATOM 3248 HA SER A 236 21.059 -27.086 -9.097 1.00 14.90 H ATOM 3249 N TRP A 237 20.165 -23.899 -8.859 1.00 8.86 N ATOM 3250 CA TRP A 237 19.982 -22.831 -7.881 1.00 10.21 C ATOM 3251 C TRP A 237 19.052 -23.274 -6.763 1.00 8.80 C ATOM 3252 O TRP A 237 19.324 -23.032 -5.583 1.00 9.37 O ATOM 3253 CB TRP A 237 19.433 -21.575 -8.558 1.00 8.34 C ATOM 3254 CG TRP A 237 19.029 -20.494 -7.596 1.00 8.60 C ATOM 3255 CD1 TRP A 237 19.855 -19.677 -6.870 1.00 10.42 C ATOM 3256 CD2 TRP A 237 17.691 -20.107 -7.261 1.00 6.69 C ATOM 3257 NE1 TRP A 237 19.110 -18.817 -6.105 1.00 10.42 N ATOM 3258 CE2 TRP A 237 17.780 -19.058 -6.328 1.00 8.36 C ATOM 3259 CE3 TRP A 237 16.425 -20.549 -7.660 1.00 9.24 C ATOM 3260 CZ2 TRP A 237 16.658 -18.450 -5.788 1.00 8.04 C ATOM 3261 CZ3 TRP A 237 15.311 -19.939 -7.120 1.00 10.93 C ATOM 3262 CH2 TRP A 237 15.432 -18.902 -6.195 1.00 11.10 C ATOM 3263 H ATRP A 237 19.866 -23.666 -9.806 0.01 14.53 H ATOM 3264 D BTRP A 237 19.866 -23.666 -9.806 0.99 14.53 D ATOM 3265 HA TRP A 237 20.945 -22.572 -7.442 1.00 9.31 H ATOM 3266 HB2 TRP A 237 20.197 -21.171 -9.220 1.00 12.09 H ATOM 3267 HB3 TRP A 237 18.552 -21.836 -9.143 1.00 13.40 H ATOM 3268 HD1 TRP A 237 20.934 -19.698 -6.881 1.00 11.61 H ATOM 3269 HE1ATRP A 237 19.480 -18.116 -5.476 0.09 13.29 H ATOM 3270 DE1BTRP A 237 19.480 -18.116 -5.476 0.91 13.29 D ATOM 3271 HE3 TRP A 237 16.325 -21.352 -8.375 1.00 12.01 H ATOM 3272 HZ2 TRP A 237 16.745 -17.649 -5.074 1.00 10.65 H ATOM 3273 HZ3 TRP A 237 14.326 -20.266 -7.417 1.00 12.89 H ATOM 3274 HH2 TRP A 237 14.538 -18.446 -5.793 1.00 12.17 H ATOM 3275 N ILE A 238 17.952 -23.937 -7.111 1.00 8.75 N ATOM 3276 CA ILE A 238 17.027 -24.400 -6.085 1.00 10.53 C ATOM 3277 C ILE A 238 17.742 -25.336 -5.118 1.00 9.75 C ATOM 3278 O ILE A 238 17.631 -25.198 -3.898 1.00 8.21 O ATOM 3279 CB ILE A 238 15.802 -25.078 -6.726 1.00 11.19 C ATOM 3280 CG1 ILE A 238 14.951 -24.042 -7.468 1.00 11.05 C ATOM 3281 CG2 ILE A 238 15.002 -25.811 -5.672 1.00 11.32 C ATOM 3282 CD1 ILE A 238 13.870 -24.644 -8.350 1.00 9.23 C ATOM 3283 H AILE A 238 17.670 -24.137 -8.069 0.94 9.69 H ATOM 3284 D BILE A 238 17.670 -24.137 -8.069 0.06 9.69 D ATOM 3285 HA ILE A 238 16.689 -23.537 -5.511 1.00 10.96 H ATOM 3286 HB ILE A 238 16.163 -25.814 -7.445 1.00 13.37 H ATOM 3287 HG12 ILE A 238 14.475 -23.382 -6.745 1.00 11.70 H ATOM 3288 HG13 ILE A 238 15.607 -23.462 -8.115 1.00 13.65 H ATOM 3289 HG21 ILE A 238 14.087 -26.199 -6.116 1.00 13.82 H ATOM 3290 HG22 ILE A 238 15.591 -26.645 -5.279 1.00 13.19 H ATOM 3291 HG23 ILE A 238 14.751 -25.110 -4.876 1.00 16.44 H ATOM 3292 HD11 ILE A 238 13.290 -23.848 -8.814 1.00 13.06 H ATOM 3293 HD12 ILE A 238 14.337 -25.260 -9.118 1.00 14.10 H ATOM 3294 HD13 ILE A 238 13.213 -25.265 -7.749 1.00 17.99 H ATOM 3295 N LYS A 239 18.457 -26.324 -5.651 1.00 9.78 N ATOM 3296 CA LYS A 239 19.048 -27.340 -4.787 1.00 9.71 C ATOM 3297 C LYS A 239 20.138 -26.748 -3.905 1.00 9.72 C ATOM 3298 O LYS A 239 20.228 -27.072 -2.717 1.00 13.07 O ATOM 3299 CB LYS A 239 19.578 -28.502 -5.625 1.00 12.95 C ATOM 3300 CG LYS A 239 18.462 -29.350 -6.230 1.00 19.55 C ATOM 3301 CD LYS A 239 18.995 -30.597 -6.915 1.00 22.86 C ATOM 3302 H ALYS A 239 18.621 -26.442 -6.650 0.08 9.84 H ATOM 3303 D BLYS A 239 18.621 -26.442 -6.650 0.92 9.84 D ATOM 3304 HA LYS A 239 18.278 -27.742 -4.128 1.00 17.22 H ATOM 3305 HB2 LYS A 239 20.175 -28.101 -6.447 1.00 17.80 H ATOM 3306 HB3 LYS A 239 20.191 -29.148 -4.994 1.00 14.37 H ATOM 3307 HG2 LYS A 239 17.764 -29.668 -5.455 1.00 19.24 H ATOM 3308 HG3 LYS A 239 17.940 -28.763 -6.981 1.00 19.50 H ATOM 3309 N GLN A 240 20.954 -25.858 -4.461 1.00 12.32 N ATOM 3310 CA GLN A 240 22.025 -25.245 -3.682 1.00 12.59 C ATOM 3311 C GLN A 240 21.460 -24.341 -2.601 1.00 13.68 C ATOM 3312 O GLN A 240 21.988 -24.283 -1.485 1.00 15.90 O ATOM 3313 CB GLN A 240 22.917 -24.435 -4.616 1.00 12.65 C ATOM 3314 H AGLN A 240 20.883 -25.547 -5.429 0.00 12.07 H ATOM 3315 D BGLN A 240 20.883 -25.547 -5.429 1.00 12.07 D ATOM 3316 HA GLN A 240 22.623 -26.021 -3.198 1.00 15.31 H ATOM 3317 HB2 GLN A 240 22.273 -23.864 -5.287 1.00 15.78 H ATOM 3318 N THR A 241 20.376 -23.637 -2.914 1.00 11.01 N ATOM 3319 CA THR A 241 19.779 -22.714 -1.957 1.00 11.04 C ATOM 3320 C THR A 241 19.141 -23.469 -0.800 1.00 12.14 C ATOM 3321 O THR A 241 19.325 -23.105 0.365 1.00 12.71 O ATOM 3322 CB THR A 241 18.760 -21.829 -2.684 1.00 9.96 C ATOM 3323 OG1 THR A 241 19.425 -21.062 -3.697 1.00 7.42 O ATOM 3324 CG2 THR A 241 18.072 -20.880 -1.737 1.00 12.61 C ATOM 3325 H ATHR A 241 19.898 -23.695 -3.816 0.04 10.75 H ATOM 3326 D BTHR A 241 19.898 -23.695 -3.816 0.96 10.75 D ATOM 3327 HA THR A 241 20.559 -22.078 -1.543 1.00 10.04 H ATOM 3328 HB THR A 241 18.018 -22.455 -3.178 1.00 11.98 H ATOM 3329 HG1ATHR A 241 19.323 -21.491 -4.566 0.11 9.59 H ATOM 3330 DG1BTHR A 241 19.323 -21.491 -4.566 0.89 9.59 D ATOM 3331 HG21 THR A 241 17.484 -20.173 -2.322 1.00 13.70 H ATOM 3332 HG22 THR A 241 17.410 -21.411 -1.054 1.00 17.41 H ATOM 3333 HG23 THR A 241 18.812 -20.330 -1.157 1.00 15.70 H ATOM 3334 N ILE A 242 18.413 -24.544 -1.100 1.00 12.35 N ATOM 3335 CA ILE A 242 17.773 -25.333 -0.055 1.00 13.42 C ATOM 3336 C ILE A 242 18.817 -25.985 0.837 1.00 13.39 C ATOM 3337 O ILE A 242 18.624 -26.115 2.052 1.00 17.54 O ATOM 3338 CB ILE A 242 16.842 -26.376 -0.695 1.00 13.89 C ATOM 3339 CG1 ILE A 242 15.584 -25.692 -1.234 1.00 13.82 C ATOM 3340 CG2 ILE A 242 16.573 -27.536 0.277 1.00 17.58 C ATOM 3341 CD1 ILE A 242 14.650 -26.632 -1.951 1.00 25.25 C ATOM 3342 H AILE A 242 18.268 -24.894 -2.042 0.01 13.82 H ATOM 3343 D BILE A 242 18.268 -24.894 -2.042 0.99 13.82 D ATOM 3344 HA ILE A 242 17.182 -24.673 0.581 1.00 13.77 H ATOM 3345 HG12 ILE A 242 15.037 -25.239 -0.410 1.00 20.32 H ATOM 3346 HG13 ILE A 242 15.891 -24.940 -1.963 1.00 18.23 H ATOM 3347 HG21 ILE A 242 17.448 -28.185 0.296 1.00 25.42 H ATOM 3348 HG22 ILE A 242 16.382 -27.132 1.270 1.00 17.41 H ATOM 3349 HG23 ILE A 242 15.712 -28.106 -0.070 1.00 18.82 H ATOM 3350 N ALA A 243 19.936 -26.408 0.253 1.00 13.90 N ATOM 3351 CA ALA A 243 20.975 -27.105 1.006 1.00 15.20 C ATOM 3352 C ALA A 243 21.723 -26.209 1.984 1.00 14.79 C ATOM 3353 O ALA A 243 22.433 -26.733 2.849 1.00 15.04 O ATOM 3354 CB ALA A 243 21.965 -27.741 0.035 1.00 16.01 C ATOM 3355 H AALA A 243 20.147 -26.292 -0.739 0.01 13.17 H ATOM 3356 D BALA A 243 20.147 -26.292 -0.739 0.99 13.17 D ATOM 3357 HA ALA A 243 20.516 -27.904 1.585 1.00 14.48 H ATOM 3358 HB1 ALA A 243 22.802 -28.151 0.600 1.00 22.60 H ATOM 3359 HB2 ALA A 243 21.469 -28.537 -0.517 1.00 19.03 H ATOM 3360 HB3 ALA A 243 22.306 -26.984 -0.669 1.00 17.85 H ATOM 3361 N SER A 244 21.600 -24.885 1.861 1.00 13.99 N ATOM 3362 CA SER A 244 22.339 -23.943 2.700 1.00 14.96 C ATOM 3363 C SER A 244 21.440 -22.988 3.486 1.00 14.32 C ATOM 3364 O SER A 244 21.948 -22.032 4.084 1.00 16.95 O ATOM 3365 CB SER A 244 23.308 -23.130 1.834 1.00 24.60 C ATOM 3366 OG SER A 244 24.281 -23.956 1.215 1.00 26.25 O ATOM 3367 H ASER A 244 21.000 -24.450 1.162 0.26 14.62 H ATOM 3368 D BSER A 244 21.000 -24.450 1.162 0.74 14.62 D ATOM 3369 HA SER A 244 22.937 -24.502 3.422 1.00 20.99 H ATOM 3370 HB3 SER A 244 23.801 -22.365 2.431 1.00 19.39 H ATOM 3371 N ASN A 245 20.131 -23.213 3.511 1.00 14.44 N ATOM 3372 CA ASN A 245 19.214 -22.296 4.189 1.00 13.17 C ATOM 3373 C ASN A 245 18.187 -23.062 5.007 1.00 15.16 C ATOM 3374 O ASN A 245 18.179 -24.293 5.015 1.00 17.02 O ATOM 3375 CB ASN A 245 18.491 -21.405 3.179 1.00 11.73 C ATOM 3376 CG ASN A 245 19.388 -20.334 2.594 1.00 13.08 C ATOM 3377 OD1 ASN A 245 19.562 -19.265 3.175 1.00 16.93 O ATOM 3378 ND2 ASN A 245 19.962 -20.621 1.444 1.00 15.90 N ATOM 3379 OXT ASN A 245 17.339 -22.466 5.672 1.00 15.75 O ATOM 3380 H AASN A 245 19.679 -24.016 3.085 0.14 13.41 H ATOM 3381 D BASN A 245 19.679 -24.016 3.085 0.86 13.41 D ATOM 3382 HA ASN A 245 19.776 -21.658 4.872 1.00 18.16 H ATOM 3383 HB2 ASN A 245 18.130 -22.018 2.354 1.00 14.37 H ATOM 3384 HB3 ASN A 245 17.639 -20.925 3.663 1.00 14.28 H ATOM 3385 HD21AASN A 245 20.579 -19.950 0.993 0.11 13.01 H ATOM 3386 DD21BASN A 245 20.579 -19.950 0.993 0.89 13.01 D ATOM 3387 HD22AASN A 245 19.795 -21.529 1.012 0.20 11.90 H ATOM 3388 DD22BASN A 245 19.795 -21.529 1.012 0.80 11.90 D TER 3389 ASN A 245 HETATM 3390 CA CA A 301 -10.324 -24.881 3.148 1.00 8.88 CA HETATM 3391 O DOD A 401 6.733 -33.099 -27.758 1.00 18.86 O HETATM 3392 O DOD A 402 -17.378 -17.252 -3.734 1.00 30.68 O HETATM 3393 D1 DOD A 402 -16.526 -16.829 -3.733 1.00 31.44 D HETATM 3394 D2 DOD A 402 -17.228 -18.175 -3.910 1.00 30.78 D HETATM 3395 O DOD A 403 -7.987 -13.439 -2.842 1.00 28.73 O HETATM 3396 D1 DOD A 403 -7.892 -12.514 -2.627 1.00 22.29 D HETATM 3397 D2 ADOD A 403 -7.432 -13.603 -3.598 0.41 20.65 D HETATM 3398 D2 BDOD A 403 -8.790 -13.747 -2.426 0.59 19.89 D HETATM 3399 O DOD A 404 16.601 -26.004 4.719 1.00 18.32 O HETATM 3400 D1 DOD A 404 17.152 -25.366 4.277 1.00 22.85 D HETATM 3401 D2 DOD A 404 16.650 -26.805 4.206 1.00 23.15 D HETATM 3402 O DOD A 405 10.794 -31.875 -4.883 1.00 27.39 O HETATM 3403 D1 DOD A 405 10.292 -31.949 -5.689 1.00 22.98 D HETATM 3404 D2 DOD A 405 10.265 -32.259 -4.192 1.00 29.51 D HETATM 3405 O DOD A 406 -3.912 -17.881 -26.921 1.00 22.93 O HETATM 3406 O DOD A 407 2.672 -37.911 0.253 1.00 30.46 O HETATM 3407 D1 DOD A 407 3.549 -37.848 0.617 1.00 29.98 D HETATM 3408 D2 DOD A 407 2.191 -37.160 0.578 1.00 24.08 D HETATM 3409 O DOD A 408 -4.296 -36.211 -19.836 1.00 30.84 O HETATM 3410 D1 DOD A 408 -4.170 -37.078 -19.465 1.00 32.05 D HETATM 3411 D2 DOD A 408 -4.763 -36.326 -20.658 1.00 32.21 D HETATM 3412 O DOD A 409 -14.358 -29.068 -1.375 1.00 25.62 O HETATM 3413 D1 DOD A 409 -13.864 -28.642 -2.071 1.00 23.38 D HETATM 3414 D2 DOD A 409 -14.721 -28.374 -0.834 1.00 20.76 D HETATM 3415 O DOD A 410 2.619 -8.427 -28.009 1.00 27.83 O HETATM 3416 D1 DOD A 410 3.378 -8.248 -28.559 1.00 22.28 D HETATM 3417 D2 DOD A 410 2.722 -7.924 -27.206 1.00 28.13 D HETATM 3418 O DOD A 411 -1.978 -21.178 -20.470 1.00 12.32 O HETATM 3419 D1 DOD A 411 -1.439 -21.235 -21.257 1.00 12.53 D HETATM 3420 D2 DOD A 411 -2.382 -20.317 -20.484 1.00 12.67 D HETATM 3421 O DOD A 412 -10.136 -31.575 1.907 1.00 17.80 O HETATM 3422 D1 DOD A 412 -11.040 -31.319 1.763 1.00 23.20 D HETATM 3423 D2 DOD A 412 -9.726 -31.603 1.051 1.00 19.78 D HETATM 3424 O DOD A 413 -16.106 -20.921 6.077 1.00 19.67 O HETATM 3425 D1 DOD A 413 -17.034 -20.822 6.273 1.00 22.03 D HETATM 3426 D2 DOD A 413 -15.958 -20.468 5.251 1.00 21.42 D HETATM 3427 O DOD A 414 -10.285 -26.957 2.045 1.00 12.42 O HETATM 3428 D1 DOD A 414 -9.826 -27.672 2.478 1.00 13.58 D HETATM 3429 D2 DOD A 414 -11.108 -27.309 1.718 1.00 12.77 D HETATM 3430 O DOD A 415 21.485 -18.290 4.628 1.00 30.66 O HETATM 3431 D1 DOD A 415 22.205 -18.896 4.476 1.00 30.36 D HETATM 3432 D2 DOD A 415 21.539 -17.610 3.962 1.00 25.67 D HETATM 3433 O DOD A 416 -14.204 -20.178 -17.598 1.00 21.31 O HETATM 3434 D1 DOD A 416 -14.371 -20.921 -17.026 1.00 23.51 D HETATM 3435 D2 DOD A 416 -13.850 -19.491 -17.047 1.00 22.58 D HETATM 3436 O DOD A 417 12.633 -21.907 9.243 1.00 30.08 O HETATM 3437 D1 DOD A 417 11.761 -22.261 9.107 1.00 25.15 D HETATM 3438 D2 DOD A 417 13.220 -22.649 9.335 1.00 29.52 D HETATM 3439 O ADOD A 418 9.352 -10.120 -21.139 0.64 18.39 O HETATM 3440 O BDOD A 418 10.420 -10.224 -20.876 0.36 19.16 O HETATM 3441 D1 DOD A 418 9.716 -10.047 -20.262 1.00 19.98 D HETATM 3442 D2 DOD A 418 10.016 -10.542 -21.676 1.00 20.34 D HETATM 3443 O DOD A 419 -10.541 -17.240 2.851 1.00 18.57 O HETATM 3444 D1 DOD A 419 -10.945 -16.777 2.128 1.00 19.05 D HETATM 3445 D2 DOD A 419 -10.153 -18.024 2.474 1.00 23.77 D HETATM 3446 O DOD A 420 11.071 -26.441 -17.212 1.00 12.35 O HETATM 3447 D1 DOD A 420 10.968 -27.382 -17.132 1.00 14.43 D HETATM 3448 D2 DOD A 420 10.294 -26.059 -16.825 1.00 14.27 D HETATM 3449 O DOD A 421 7.950 -13.242 2.661 1.00 28.95 O HETATM 3450 D1 DOD A 421 7.435 -12.808 1.986 1.00 29.04 D HETATM 3451 D2 DOD A 421 8.706 -12.688 2.830 1.00 27.74 D HETATM 3452 O DOD A 422 4.725 -23.121 -8.570 1.00 10.27 O HETATM 3453 D1 DOD A 422 5.186 -22.934 -7.755 1.00 16.54 D HETATM 3454 D2 DOD A 422 4.119 -22.401 -8.682 1.00 15.33 D HETATM 3455 O DOD A 423 -0.817 -28.889 -0.840 1.00 16.63 O HETATM 3456 D1 DOD A 423 -1.295 -29.670 -1.083 1.00 13.62 D HETATM 3457 D2 DOD A 423 -1.330 -28.153 -1.151 1.00 16.29 D HETATM 3458 O DOD A 424 5.480 -15.435 7.276 1.00 22.48 O HETATM 3459 O DOD A 425 -4.572 -28.063 -2.823 1.00 15.19 O HETATM 3460 D1 DOD A 425 -5.144 -27.799 -2.121 1.00 18.27 D HETATM 3461 D2 DOD A 425 -3.695 -28.057 -2.466 1.00 15.09 D HETATM 3462 O DOD A 426 -10.365 -17.218 -5.519 1.00 24.12 O HETATM 3463 D1 DOD A 426 -11.043 -17.878 -5.591 1.00 19.46 D HETATM 3464 D2 DOD A 426 -9.674 -17.480 -6.117 1.00 25.80 D HETATM 3465 O DOD A 427 17.785 -20.032 6.734 1.00 29.00 O HETATM 3466 D2 DOD A 427 17.274 -20.792 6.472 1.00 26.56 D HETATM 3467 O DOD A 428 -3.853 -36.413 -4.055 1.00 18.69 O HETATM 3468 D1 DOD A 428 -4.647 -35.936 -3.855 1.00 18.14 D HETATM 3469 D2 DOD A 428 -3.431 -36.599 -3.226 1.00 21.80 D HETATM 3470 O DOD A 429 18.585 -27.936 4.042 1.00 25.03 O HETATM 3471 D1 DOD A 429 19.305 -28.061 4.652 1.00 26.50 D HETATM 3472 D2 DOD A 429 18.887 -27.308 3.393 1.00 26.04 D HETATM 3473 O DOD A 430 -7.525 -20.295 2.688 1.00 11.77 O HETATM 3474 D1 DOD A 430 -7.390 -21.227 2.591 1.00 11.52 D HETATM 3475 D2 DOD A 430 -8.407 -20.119 2.405 1.00 10.30 D HETATM 3476 O DOD A 431 -13.999 -29.200 -5.493 1.00 16.60 O HETATM 3477 D1 DOD A 431 -13.571 -28.930 -4.690 1.00 19.39 D HETATM 3478 D2 DOD A 431 -13.420 -28.947 -6.203 1.00 14.70 D HETATM 3479 O DOD A 432 4.262 -28.044 11.076 1.00 23.40 O HETATM 3480 D1 DOD A 432 4.497 -28.588 10.335 1.00 26.49 D HETATM 3481 O DOD A 433 -2.822 -15.077 6.841 1.00 26.07 O HETATM 3482 D1 DOD A 433 -3.493 -15.700 6.581 1.00 22.93 D HETATM 3483 D2 DOD A 433 -3.223 -14.495 7.479 1.00 24.80 D HETATM 3484 O DOD A 434 -3.192 -34.194 -10.092 1.00 23.90 O HETATM 3485 D1 DOD A 434 -3.732 -34.419 -9.339 1.00 27.58 D HETATM 3486 O DOD A 435 8.545 -35.163 -4.347 1.00 30.14 O HETATM 3487 D2 DOD A 435 9.271 -34.547 -4.408 1.00 31.86 D HETATM 3488 O DOD A 436 8.646 -2.933 -11.879 1.00 17.98 O HETATM 3489 D2 DOD A 436 9.121 -2.898 -12.707 1.00 22.93 D HETATM 3490 O DOD A 437 0.975 -8.402 -26.225 1.00 23.92 O HETATM 3491 O DOD A 438 -4.632 -30.698 -1.351 1.00 17.49 O HETATM 3492 D1 DOD A 438 -4.168 -30.040 -1.855 1.00 15.91 D HETATM 3493 D2 DOD A 438 -3.991 -31.335 -1.054 1.00 17.67 D HETATM 3494 O DOD A 439 8.837 -15.238 -16.634 1.00 16.84 O HETATM 3495 D1 DOD A 439 9.036 -14.351 -16.353 1.00 15.26 D HETATM 3496 D2 DOD A 439 8.029 -15.484 -16.198 1.00 16.09 D HETATM 3497 O DOD A 440 2.215 -17.305 -32.429 1.00 25.50 O HETATM 3498 D1 DOD A 440 2.870 -17.719 -31.878 1.00 23.25 D HETATM 3499 D2 DOD A 440 1.660 -18.002 -32.760 1.00 33.47 D HETATM 3500 O DOD A 441 -3.758 -20.070 -23.585 1.00 16.94 O HETATM 3501 D1 DOD A 441 -4.158 -19.487 -24.217 1.00 16.42 D HETATM 3502 D2 DOD A 441 -4.434 -20.684 -23.335 1.00 17.32 D HETATM 3503 O DOD A 442 5.559 -8.368 -5.397 1.00 20.52 O HETATM 3504 O DOD A 443 -9.231 -20.766 -11.221 1.00 9.39 O HETATM 3505 D1 DOD A 443 -9.475 -19.937 -10.817 1.00 8.76 D HETATM 3506 D2 DOD A 443 -8.724 -21.245 -10.579 1.00 11.46 D HETATM 3507 O DOD A 444 -4.508 -14.070 -23.165 1.00 15.96 O HETATM 3508 D1 DOD A 444 -3.873 -14.444 -23.768 1.00 15.90 D HETATM 3509 D2 DOD A 444 -4.311 -13.142 -23.091 1.00 15.60 D HETATM 3510 O DOD A 445 -3.349 -25.661 -0.758 1.00 10.73 O HETATM 3511 D1 DOD A 445 -2.827 -25.183 -0.122 1.00 11.42 D HETATM 3512 D2 DOD A 445 -2.766 -26.271 -1.199 1.00 10.42 D HETATM 3513 O DOD A 446 -2.085 -21.340 -8.959 1.00 8.14 O HETATM 3514 D1 DOD A 446 -1.656 -20.652 -9.460 1.00 8.01 D HETATM 3515 D2 DOD A 446 -2.374 -21.996 -9.584 1.00 9.15 D HETATM 3516 O DOD A 447 -5.898 -18.540 1.154 1.00 10.48 O HETATM 3517 D1 DOD A 447 -6.514 -19.221 1.384 1.00 11.19 D HETATM 3518 D2 DOD A 447 -5.332 -18.896 0.479 1.00 10.77 D HETATM 3519 O DOD A 448 -0.745 -28.573 -11.336 1.00 10.06 O HETATM 3520 D1 DOD A 448 -1.488 -28.084 -11.005 1.00 11.71 D HETATM 3521 D2 DOD A 448 -0.730 -28.434 -12.270 1.00 12.50 D HETATM 3522 O DOD A 449 -8.557 -10.463 -20.160 1.00 27.22 O HETATM 3523 D1 DOD A 449 -8.938 -11.102 -20.755 1.00 19.99 D HETATM 3524 O DOD A 450 17.498 -8.638 -9.330 1.00 18.65 O HETATM 3525 D1 DOD A 450 17.981 -9.374 -8.973 1.00 18.43 D HETATM 3526 D2 DOD A 450 16.578 -8.879 -9.307 1.00 23.74 D HETATM 3527 O DOD A 451 7.208 -21.898 -25.811 1.00 13.24 O HETATM 3528 D1 DOD A 451 8.145 -21.991 -25.733 1.00 14.83 D HETATM 3529 D2 DOD A 451 6.858 -22.771 -25.969 1.00 14.65 D HETATM 3530 O DOD A 452 0.939 -17.632 -17.411 1.00 11.85 O HETATM 3531 D1 ADOD A 452 0.502 -16.797 -17.536 0.46 11.59 D HETATM 3532 D1 BDOD A 452 0.803 -18.569 -17.337 0.54 11.45 D HETATM 3533 D2 DOD A 452 1.836 -17.515 -17.698 1.00 18.29 D HETATM 3534 O DOD A 453 -11.469 -28.672 -6.933 1.00 11.15 O HETATM 3535 D1 DOD A 453 -11.288 -28.608 -6.001 1.00 10.48 D HETATM 3536 D2 DOD A 453 -11.114 -27.895 -7.350 1.00 11.40 D HETATM 3537 O DOD A 454 -8.387 -28.182 9.077 1.00 18.15 O HETATM 3538 O DOD A 455 -12.101 -22.659 -14.959 1.00 18.11 O HETATM 3539 D1 DOD A 455 -12.898 -22.313 -15.348 1.00 20.95 D HETATM 3540 D2 DOD A 455 -11.449 -21.967 -15.016 1.00 16.94 D HETATM 3541 O DOD A 456 8.981 -33.531 -22.891 1.00 24.53 O HETATM 3542 O DOD A 457 23.208 -29.456 2.893 1.00 24.64 O HETATM 3543 D1 DOD A 457 22.337 -29.149 3.127 1.00 27.22 D HETATM 3544 D2 DOD A 457 23.813 -28.758 3.119 1.00 27.03 D HETATM 3545 O DOD A 458 -0.140 -8.773 -30.593 1.00 25.44 O HETATM 3546 D1 DOD A 458 0.662 -8.473 -31.012 1.00 25.35 D HETATM 3547 O DOD A 459 -2.227 -14.784 -21.399 1.00 23.40 O HETATM 3548 D1 DOD A 459 -2.553 -15.674 -21.340 1.00 23.84 D HETATM 3549 D2 DOD A 459 -2.790 -14.254 -20.844 1.00 22.20 D HETATM 3550 O DOD A 460 -9.147 -29.369 3.158 1.00 16.76 O HETATM 3551 D1 DOD A 460 -9.518 -30.003 2.561 1.00 16.38 D HETATM 3552 D2 DOD A 460 -8.301 -29.133 2.799 1.00 18.73 D HETATM 3553 O DOD A 461 -3.236 -32.512 5.783 1.00 18.33 O HETATM 3554 D1 DOD A 461 -3.538 -32.397 6.675 1.00 22.33 D HETATM 3555 D2 DOD A 461 -3.638 -31.820 5.271 1.00 19.73 D HETATM 3556 O DOD A 462 -14.740 -15.849 -4.501 1.00 20.16 O HETATM 3557 D1 DOD A 462 -14.575 -16.579 -3.916 1.00 21.70 D HETATM 3558 D2 DOD A 462 -14.640 -16.177 -5.385 1.00 20.70 D HETATM 3559 O DOD A 463 -8.001 -29.191 -3.839 1.00 14.19 O HETATM 3560 D1 DOD A 463 -7.789 -28.623 -3.105 1.00 15.09 D HETATM 3561 D2 DOD A 463 -8.805 -28.863 -4.229 1.00 12.56 D HETATM 3562 O DOD A 464 -9.591 -23.034 4.376 1.00 11.92 O HETATM 3563 D1 DOD A 464 -9.857 -22.344 4.966 1.00 15.77 D HETATM 3564 D2 DOD A 464 -8.752 -22.768 4.012 1.00 11.54 D HETATM 3565 O DOD A 465 -9.360 -12.728 -28.252 1.00 25.83 O HETATM 3566 D1 DOD A 465 -10.050 -13.305 -27.936 1.00 28.32 D HETATM 3567 O DOD A 466 -3.954 -19.976 -7.456 1.00 10.87 O HETATM 3568 D1 DOD A 466 -3.766 -19.069 -7.664 1.00 9.72 D HETATM 3569 D2 DOD A 466 -3.237 -20.498 -7.802 1.00 11.14 D HETATM 3570 O DOD A 467 13.175 -35.961 -11.056 1.00 37.05 O HETATM 3571 D1 DOD A 467 12.833 -35.153 -11.430 1.00 25.84 D HETATM 3572 D2 DOD A 467 13.380 -35.784 -10.142 1.00 32.93 D HETATM 3573 O DOD A 468 -7.483 -34.259 -13.355 1.00 19.44 O HETATM 3574 O DOD A 469 11.494 -16.223 -16.241 1.00 13.48 O HETATM 3575 D1 DOD A 469 10.562 -16.087 -16.358 1.00 11.22 D HETATM 3576 D2 DOD A 469 11.706 -17.038 -16.680 1.00 16.44 D HETATM 3577 O DOD A 470 6.354 -6.940 -18.628 1.00 27.71 O HETATM 3578 D1 DOD A 470 6.299 -7.884 -18.756 1.00 26.40 D HETATM 3579 O DOD A 471 -0.733 -33.725 -11.188 1.00 30.40 O HETATM 3580 D1 DOD A 471 -1.414 -33.731 -10.517 1.00 21.76 D HETATM 3581 D2 DOD A 471 -0.297 -32.878 -11.141 1.00 22.65 D HETATM 3582 O DOD A 472 17.339 -11.075 -5.681 1.00 19.20 O HETATM 3583 D1 DOD A 472 17.025 -11.311 -4.813 1.00 18.60 D HETATM 3584 D2 DOD A 472 16.742 -11.460 -6.318 1.00 21.36 D HETATM 3585 O DOD A 473 1.221 -34.715 -17.966 1.00 23.50 O HETATM 3586 D1 DOD A 473 1.422 -34.079 -18.648 1.00 25.01 D HETATM 3587 D2 ADOD A 473 0.821 -34.235 -17.248 0.38 19.91 D HETATM 3588 D2 BDOD A 473 1.240 -35.576 -18.375 0.62 21.64 D HETATM 3589 O DOD A 474 5.197 -36.867 -3.272 1.00 24.80 O HETATM 3590 D1 DOD A 474 5.818 -36.327 -3.752 1.00 27.70 D HETATM 3591 O DOD A 475 1.579 -35.235 -14.410 1.00 20.11 O HETATM 3592 O DOD A 476 -4.554 -17.747 -24.562 1.00 18.96 O HETATM 3593 D1 DOD A 476 -4.899 -17.162 -25.228 1.00 20.72 D HETATM 3594 D2 DOD A 476 -4.283 -17.205 -23.829 1.00 16.97 D HETATM 3595 O DOD A 477 8.562 -33.810 -17.278 1.00 23.62 O HETATM 3596 D1 DOD A 477 8.139 -33.879 -16.426 1.00 24.71 D HETATM 3597 D2 DOD A 477 7.887 -33.596 -17.917 1.00 22.81 D HETATM 3598 O DOD A 478 -5.841 -30.370 -4.493 1.00 14.27 O HETATM 3599 D1 DOD A 478 -5.065 -29.828 -4.605 1.00 15.71 D HETATM 3600 D2 DOD A 478 -6.604 -29.829 -4.669 1.00 14.10 D HETATM 3601 O DOD A 479 8.875 0.309 -14.226 1.00 14.22 O HETATM 3602 D2 DOD A 479 8.849 -0.624 -14.433 1.00 16.45 D HETATM 3603 O DOD A 480 17.667 -15.401 -23.168 1.00 26.68 O HETATM 3604 D1 DOD A 480 17.184 -15.168 -23.955 1.00 24.08 D HETATM 3605 O DOD A 481 2.390 -8.176 -23.944 1.00 27.25 O HETATM 3606 D2 DOD A 481 3.287 -8.031 -23.658 1.00 29.26 D HETATM 3607 O DOD A 482 13.717 -6.479 -10.260 1.00 16.83 O HETATM 3608 D1 DOD A 482 14.115 -7.349 -10.285 1.00 16.37 D HETATM 3609 D2 DOD A 482 13.086 -6.484 -9.547 1.00 17.84 D HETATM 3610 O DOD A 483 13.520 -10.446 -24.427 1.00 21.67 O HETATM 3611 O DOD A 484 -8.213 -28.642 -22.431 1.00 29.80 O HETATM 3612 D1 DOD A 484 -8.162 -28.434 -21.504 1.00 29.66 D HETATM 3613 D2 DOD A 484 -7.525 -29.275 -22.605 1.00 32.57 D HETATM 3614 O DOD A 485 -2.490 -23.833 -30.062 1.00 25.13 O HETATM 3615 D1 DOD A 485 -2.030 -23.901 -30.892 1.00 29.42 D HETATM 3616 D2 DOD A 485 -3.420 -23.962 -30.239 1.00 25.43 D HETATM 3617 O DOD A 486 0.268 -19.869 11.148 1.00 31.94 O HETATM 3618 D1 DOD A 486 0.825 -20.607 11.385 1.00 31.25 D HETATM 3619 D2 DOD A 486 0.840 -19.152 10.883 1.00 26.79 D HETATM 3620 O DOD A 487 12.491 -33.463 -6.389 1.00 26.06 O HETATM 3621 D1 DOD A 487 12.540 -32.723 -5.793 1.00 28.11 D HETATM 3622 D2 DOD A 487 13.328 -33.504 -6.838 1.00 29.89 D HETATM 3623 O DOD A 488 2.531 -27.821 -29.257 1.00 25.49 O HETATM 3624 D1 DOD A 488 1.587 -27.781 -29.128 1.00 27.54 D HETATM 3625 D2 DOD A 488 2.929 -27.605 -28.421 1.00 18.44 D HETATM 3626 O DOD A 489 10.384 -12.951 -28.177 1.00 20.23 O HETATM 3627 D1 DOD A 489 9.443 -12.866 -28.054 1.00 24.02 D HETATM 3628 D2 DOD A 489 10.519 -13.151 -29.097 1.00 28.28 D HETATM 3629 O DOD A 490 -13.296 -24.740 -22.160 1.00 31.69 O HETATM 3630 D2 DOD A 490 -13.246 -25.028 -21.254 1.00 31.67 D HETATM 3631 O DOD A 491 20.103 -19.690 -11.429 1.00 20.39 O HETATM 3632 D1 DOD A 491 19.584 -19.797 -12.217 1.00 17.90 D HETATM 3633 D2 DOD A 491 20.774 -19.046 -11.635 1.00 21.97 D HETATM 3634 O DOD A 492 -9.252 -15.250 0.143 1.00 20.91 O HETATM 3635 D1 DOD A 492 -9.547 -15.458 -0.736 1.00 17.72 D HETATM 3636 D2 DOD A 492 -9.136 -16.074 0.606 1.00 18.27 D HETATM 3637 O ADOD A 493 -2.360 -15.463 -18.705 0.46 13.67 O HETATM 3638 O BDOD A 493 -1.578 -16.177 -17.943 0.54 14.17 O HETATM 3639 D1 ADOD A 493 -2.028 -15.881 -19.489 0.46 15.04 D HETATM 3640 D1 BDOD A 493 -1.300 -17.067 -17.762 0.54 16.61 D HETATM 3641 D2 ADOD A 493 -3.303 -15.430 -18.796 0.46 14.78 D HETATM 3642 D2 BDOD A 493 -2.467 -16.236 -18.271 0.54 14.42 D HETATM 3643 O DOD A 494 8.706 -8.800 -6.301 1.00 27.55 O HETATM 3644 D1 DOD A 494 8.453 -9.663 -6.624 1.00 19.85 D HETATM 3645 D2 DOD A 494 7.911 -8.352 -6.024 1.00 23.37 D HETATM 3646 O DOD A 495 1.532 -28.626 9.931 1.00 24.89 O HETATM 3647 D2 DOD A 495 1.398 -29.323 9.298 1.00 22.53 D HETATM 3648 O DOD A 496 18.042 -14.326 -19.970 1.00 22.51 O HETATM 3649 O DOD A 497 -8.255 -15.510 4.032 1.00 15.77 O HETATM 3650 D1 DOD A 497 -8.974 -15.848 3.509 1.00 18.22 D HETATM 3651 D2 DOD A 497 -8.382 -14.568 4.077 1.00 18.21 D HETATM 3652 O DOD A 498 -11.447 -27.993 -19.966 1.00 28.32 O HETATM 3653 D1 DOD A 498 -10.860 -28.083 -20.711 1.00 28.44 D HETATM 3654 D2 DOD A 498 -11.181 -27.210 -19.495 1.00 25.06 D HETATM 3655 O DOD A 499 20.302 -22.450 -11.926 1.00 18.21 O HETATM 3656 D2 DOD A 499 19.900 -23.268 -12.204 1.00 16.51 D HETATM 3657 O DOD A 500 -1.731 -9.093 -3.386 1.00 18.29 O HETATM 3658 O DOD A 501 10.818 -27.031 -20.029 1.00 18.41 O HETATM 3659 D1 DOD A 501 10.130 -26.912 -20.675 1.00 22.84 D HETATM 3660 D2 DOD A 501 10.460 -26.755 -19.189 1.00 22.99 D HETATM 3661 O DOD A 502 -15.106 -22.613 7.917 1.00 16.38 O HETATM 3662 D1 DOD A 502 -15.356 -23.487 8.184 1.00 20.43 D HETATM 3663 D2 DOD A 502 -15.784 -22.321 7.313 1.00 20.90 D HETATM 3664 O DOD A 503 -2.524 -25.842 -28.614 1.00 25.07 O HETATM 3665 D1 DOD A 503 -2.116 -25.150 -29.125 1.00 29.73 D HETATM 3666 D2 DOD A 503 -2.287 -25.682 -27.708 1.00 22.59 D HETATM 3667 O DOD A 504 -14.490 -32.351 -4.985 1.00 24.30 O HETATM 3668 D1 DOD A 504 -14.528 -32.420 -4.038 1.00 24.73 D HETATM 3669 D2 DOD A 504 -14.674 -31.441 -5.200 1.00 25.26 D HETATM 3670 O DOD A 505 10.395 -25.577 -29.499 1.00 21.79 O HETATM 3671 O DOD A 506 18.319 -26.411 -18.239 1.00 26.50 O HETATM 3672 D2 DOD A 506 18.052 -25.638 -18.727 1.00 24.08 D HETATM 3673 O DOD A 507 19.269 -13.058 -16.508 1.00 18.91 O HETATM 3674 O DOD A 508 -2.674 -25.522 10.861 1.00 25.98 O HETATM 3675 D1 DOD A 508 -1.932 -26.115 10.791 1.00 25.04 D HETATM 3676 D2 DOD A 508 -3.440 -26.001 10.557 1.00 28.76 D HETATM 3677 O DOD A 509 2.548 -35.471 -23.644 1.00 24.72 O HETATM 3678 D1 DOD A 509 1.904 -35.447 -24.348 1.00 26.50 D HETATM 3679 D2 DOD A 509 2.074 -35.651 -22.837 1.00 25.51 D HETATM 3680 O DOD A 510 3.631 -25.459 -31.385 1.00 25.86 O HETATM 3681 D1 DOD A 510 3.548 -26.055 -30.647 1.00 21.80 D HETATM 3682 D2 DOD A 510 3.015 -24.748 -31.240 1.00 24.00 D HETATM 3683 O DOD A 511 -15.331 -24.882 -14.534 1.00 23.42 O HETATM 3684 O DOD A 512 5.979 -6.680 -12.001 1.00 20.71 O HETATM 3685 O DOD A 513 -12.816 -31.061 0.752 1.00 20.69 O HETATM 3686 O DOD A 514 7.660 -7.322 -8.672 1.00 16.04 O HETATM 3687 D1 DOD A 514 7.863 -8.099 -8.164 1.00 19.63 D HETATM 3688 D2 DOD A 514 7.023 -7.591 -9.322 1.00 20.81 D HETATM 3689 O DOD A 515 16.606 -14.083 2.159 1.00 31.53 O HETATM 3690 D1 DOD A 515 16.392 -13.550 2.924 1.00 29.56 D HETATM 3691 D2 DOD A 515 15.854 -14.058 1.570 1.00 26.15 D HETATM 3692 O DOD A 516 11.008 -27.917 -27.590 1.00 22.52 O HETATM 3693 D1 ADOD A 516 11.547 -28.701 -27.545 0.52 22.87 D HETATM 3694 D1 BDOD A 516 10.624 -28.500 -28.237 0.48 19.99 D HETATM 3695 D2 ADOD A 516 11.103 -27.472 -26.754 0.52 23.11 D HETATM 3696 D2 BDOD A 516 10.701 -27.039 -27.796 0.48 23.93 D HETATM 3697 O DOD A 517 -12.006 -35.464 -4.665 1.00 25.70 O HETATM 3698 D2 DOD A 517 -11.565 -35.381 -3.825 1.00 28.37 D HETATM 3699 O DOD A 518 1.387 -11.269 -13.749 1.00 22.27 O HETATM 3700 D1 DOD A 518 2.072 -11.807 -14.136 1.00 23.96 D HETATM 3701 O DOD A 519 -15.937 -28.603 -14.251 1.00 23.39 O HETATM 3702 D1 DOD A 519 -16.400 -27.864 -13.860 1.00 25.26 D HETATM 3703 D2 DOD A 519 -16.127 -29.368 -13.715 1.00 26.29 D HETATM 3704 O DOD A 520 12.444 -19.880 -24.931 1.00 25.12 O HETATM 3705 D2 DOD A 520 12.562 -18.981 -24.639 1.00 25.55 D HETATM 3706 O DOD A 521 3.408 -21.646 11.709 1.00 12.54 O HETATM 3707 O DOD A 522 -16.796 -26.602 -1.593 1.00 20.68 O HETATM 3708 D1 DOD A 522 -16.881 -26.664 -0.648 1.00 30.15 D HETATM 3709 D2 ADOD A 522 -15.950 -26.974 -1.813 0.47 18.02 D HETATM 3710 D2 BDOD A 522 -17.478 -26.010 -1.890 0.53 17.33 D HETATM 3711 O DOD A 523 9.842 -29.465 11.670 1.00 26.83 O HETATM 3712 D1 DOD A 523 10.573 -28.915 11.401 1.00 26.99 D HETATM 3713 D2 DOD A 523 9.498 -29.104 12.483 1.00 30.61 D HETATM 3714 O DOD A 524 7.034 -14.147 4.689 1.00 29.15 O HETATM 3715 D1 DOD A 524 6.921 -13.445 5.325 1.00 24.11 D HETATM 3716 D2 DOD A 524 6.864 -13.778 3.825 1.00 26.54 D HETATM 3717 O DOD A 525 19.690 -26.351 -13.622 1.00 21.37 O HETATM 3718 D1 DOD A 525 20.060 -25.479 -13.522 1.00 23.97 D HETATM 3719 O DOD A 526 5.579 -36.410 -0.708 1.00 23.68 O HETATM 3720 D1 DOD A 526 5.402 -36.617 -1.622 1.00 24.68 D HETATM 3721 D2 DOD A 526 4.748 -36.475 -0.246 1.00 22.74 D HETATM 3722 O DOD A 527 5.996 -36.070 7.024 1.00 22.88 O HETATM 3723 O DOD A 528 6.554 -9.900 -19.748 1.00 24.35 O HETATM 3724 D1 DOD A 528 7.469 -9.697 -19.582 1.00 26.22 D HETATM 3725 O DOD A 529 0.414 -10.689 -16.430 1.00 22.60 O HETATM 3726 O DOD A 530 19.170 -30.163 -1.977 1.00 24.82 O HETATM 3727 D1 DOD A 530 19.368 -29.235 -1.896 1.00 23.03 D HETATM 3728 O DOD A 531 10.794 -34.005 2.374 1.00 20.97 O HETATM 3729 O DOD A 532 -0.643 -14.488 7.116 1.00 28.62 O HETATM 3730 D2 DOD A 532 -0.148 -13.946 6.511 1.00 30.50 D HETATM 3731 O DOD A 533 -16.340 -22.122 -7.322 1.00 21.94 O HETATM 3732 D1 DOD A 533 -16.705 -22.141 -6.444 1.00 29.64 D HETATM 3733 O DOD A 534 -10.474 -20.999 6.191 1.00 18.49 O HETATM 3734 D1 DOD A 534 -10.348 -20.178 5.728 1.00 15.33 D HETATM 3735 D2 DOD A 534 -9.829 -21.030 6.890 1.00 22.52 D HETATM 3736 O DOD A 535 -0.161 -27.116 -29.565 1.00 22.48 O HETATM 3737 O DOD A 536 -16.838 -28.393 -5.707 1.00 24.69 O HETATM 3738 D1 DOD A 536 -15.920 -28.649 -5.697 1.00 24.87 D CONECT 102 2139 CONECT 397 651 CONECT 651 397 CONECT 852 3390 CONECT 877 3390 CONECT 931 3390 CONECT 1011 3390 CONECT 1763 3180 CONECT 1843 2779 CONECT 2139 102 CONECT 2300 2521 CONECT 2521 2300 CONECT 2658 2970 CONECT 2779 1843 CONECT 2970 2658 CONECT 3180 1763 CONECT 3390 852 877 931 1011 CONECT 3390 3427 3562 CONECT 3427 3390 CONECT 3562 3390 MASTER 289 0 1 3 14 0 2 6 1725 1 20 18 END If you find results from this site helpful for your research, please cite one of our papers:
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