3.8. Aminokiseline, peptidi i proteini

  • Opisuje svojstva, sastav i vrstu odabranih spojeva.

  • Primjenjuje kemijsko nazivlje i simboliku te se koristi matematičkim znanjima i vještinama u okviru koncepta.

  • Izvodi pokuse u okviru koncepata: Tvari, Promjene i procesi, Energija.

  • Objašnjava fizikalna i kemijska svojstva odabranih biomolekula.

  • Istražuje kemijske promjene odabranih biomolekula.

  • Istražuje ulogu odabranih spojeva.

  • Povezuje strukturu odabranih biomolekula s njihovom funkcijom u organizmu.

  • Objašnjava djelovanje enzima u organizmu (energija aktivacije).

  • Objašnjava energijske pretvorbe tijekom biokemijskih reakcija na odabranome primjeru.

  • Grafički prikazuje i analizira podatke dobivene fizikalno-kemijskim mjerenjima.

  • Prikazuje modelima čestičnu građu tvari.

Uvod

Šećerna bolest ili dijabetes je poremećaj pri kojem gušterača proizvodi premalo inzulina. Brojni su znanstvenici tijekom dugih godina istraživali povezanost gušterače i šećerne bolesti. Trebalo je proći oko 120 godina, od Paula Langerhansa, koji je proučavao strukturu gušterače mikroskopom, pa do komercijalne prodaje sintetičkog humanog inzulina - lijeka koji danas pomaže milijunima ljudi oboljelim od šećerne bolesti.

Šećerna bolest ili dijabetes je poremećaj pri kojem gušterača proizvodi premalo inzulina.

Brojni su znanstvenici tijekom dugih godina istraživali povezanost gušterače i šećerne bolesti.

Prije oko 120 godina od Paul Langerhans je proučavao strukturu gušterače mikroskopom.

Danas imamo komercijalnu prodaju sintetičkog humanog inzulina.

To je lijek koji danas pomaže milijunima ljudi oboljelim od šećerne bolesti.

Aplikacija inzulinske injekcije

Fotografija prikazuje osobu koja si u potkožno tkivo na trbuhu daje injekciju inzulina.

Inzulin je peptid koji se sastoji od 51 aminokiseline. Izgrađen je od dva međusobno povezana lanca i prvi je peptid kojem je određen točan redoslijed aminokiselina. Za to je otkriće Frederick Sanger 1958. godine dobio Nobelovu nagradu.

Inzulin je peptid koji se sastoji od 51 aminokiseline.

Izgrađen je od dva međusobno povezana lanca.

To je prvi peptid kojem je određen točan redoslijed aminokiselina.

Za to je otkriće Frederick Sanger 1958. godine dobio Nobelovu nagradu.

Rotirajući trodimenzijski model peptida inzulina

conf.poster.alt
HEADER HORMONE 08-OCT-96 2HIU TITLE NMR STRUCTURE OF HUMAN INSULIN IN 20% ACETIC ACID, ZINC-FREE, 10 TITLE 2 STRUCTURES COMPND MOL_ID: 1; COMPND 2 MOLECULE: INSULIN; COMPND 3 CHAIN: A; COMPND 4 MOL_ID: 2; COMPND 5 MOLECULE: INSULIN; COMPND 6 CHAIN: B SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; SOURCE 3 ORGANISM_COMMON: HUMAN; SOURCE 4 ORGANISM_TAXID: 9606; SOURCE 5 MOL_ID: 2; SOURCE 6 ORGANISM_SCIENTIFIC: HOMO SAPIENS; SOURCE 7 ORGANISM_COMMON: HUMAN; SOURCE 8 ORGANISM_TAXID: 9606 KEYWDS INSULIN, HORMONE, GLUCOSE METABOLISM EXPDTA SOLUTION NMR NUMMDL 10 AUTHOR Q.X.HUA,S.N.GOZANI,R.E.CHANCE,J.A.HOFFMANN,B.H.FRANK,M.A.WEISS REVDAT 3 29-NOV-17 2HIU 1 REMARK HELIX REVDAT 2 24-FEB-09 2HIU 1 VERSN REVDAT 1 01-APR-97 2HIU 0 SPRSDE 01-APR-97 2HIU 1HIU JRNL AUTH Q.X.HUA,S.N.GOZANI,R.E.CHANCE,J.A.HOFFMANN,B.H.FRANK, JRNL AUTH 2 M.A.WEISS JRNL TITL STRUCTURE OF A PROTEIN IN A KINETIC TRAP. JRNL REF NAT.STRUCT.BIOL. V. 2 129 1995 JRNL REFN ISSN 1072-8368 JRNL PMID 7749917 JRNL DOI 10.1038/NSB0295-129 REMARK 1 REMARK 1 REFERENCE 1 REMARK 1 AUTH Q.X.HUA,S.E.SHOELSON,M.KOCHOYAN,M.A.WEISS REMARK 1 TITL RECEPTOR BINDING REDEFINED BY A STRUCTURAL SWITCH IN A REMARK 1 TITL 2 MUTANT HUMAN INSULIN REMARK 1 REF NATURE V. 354 238 1991 REMARK 1 REFN ISSN 0028-0836 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : X-PLOR REMARK 3 AUTHORS : BRUNGER REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 2HIU COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY BNL. REMARK 100 THE DEPOSITION ID IS D_1000178201. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 298 REMARK 210 PH : 1.9 REMARK 210 IONIC STRENGTH : NULL REMARK 210 PRESSURE : NULL REMARK 210 SAMPLE CONTENTS : NULL REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : NULL REMARK 210 SPECTROMETER FIELD STRENGTH : NULL REMARK 210 SPECTROMETER MODEL : NULL REMARK 210 SPECTROMETER MANUFACTURER : NULL REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : NULL REMARK 210 METHOD USED : NULL REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : NULL REMARK 210 CONFORMERS, NUMBER SUBMITTED : 10 REMARK 210 CONFORMERS, SELECTION CRITERIA : NULL REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : NULL REMARK 210 REMARK 210 REMARK: NULL REMARK 215 REMARK 215 NMR STUDY REMARK 215 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM SOLUTION REMARK 215 NMR DATA. PROTEIN DATA BANK CONVENTIONS REQUIRE THAT REMARK 215 CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES ON REMARK 215 THESE RECORDS ARE MEANINGLESS. 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: DIMERIC REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, B REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: CLOSE CONTACTS REMARK 500 REMARK 500 THE FOLLOWING ATOMS ARE IN CLOSE CONTACT. REMARK 500 REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI DISTANCE REMARK 500 O CYS B 7 H HIS B 10 1.46 REMARK 500 O GLY B 20 H GLY B 23 1.47 REMARK 500 O GLY B 8 H VAL B 12 1.55 REMARK 500 O GLY A 1 H GLU A 4 1.59 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 1 SER A 9 -156.44 167.40 REMARK 500 1 CYS A 20 -112.62 -53.53 REMARK 500 1 CYS B 7 127.43 -19.39 REMARK 500 1 CYS B 19 58.95 -155.62 REMARK 500 1 PHE B 24 -167.40 -170.37 REMARK 500 1 PHE B 25 91.44 -161.06 REMARK 500 1 THR B 27 42.04 -153.27 REMARK 500 1 LYS B 29 65.76 -156.74 REMARK 500 2 ILE A 2 35.16 -89.30 REMARK 500 2 GLN A 5 -71.13 -90.66 REMARK 500 2 SER A 9 -163.83 177.59 REMARK 500 2 ASN A 18 35.44 -70.06 REMARK 500 2 VAL B 2 -166.13 -121.14 REMARK 500 2 GLN B 4 -161.01 -124.49 REMARK 500 2 CYS B 7 120.23 -11.20 REMARK 500 2 CYS B 19 54.72 -148.07 REMARK 500 2 ARG B 22 -23.31 176.44 REMARK 500 2 THR B 27 47.66 -161.04 REMARK 500 2 LYS B 29 147.73 69.82 REMARK 500 3 SER A 9 -173.53 165.35 REMARK 500 3 ASN A 18 33.30 -70.12 REMARK 500 3 TYR A 19 -9.77 -143.73 REMARK 500 3 CYS A 20 -72.33 -61.47 REMARK 500 3 ASN B 3 90.28 -50.91 REMARK 500 3 GLN B 4 -167.25 -160.69 REMARK 500 3 CYS B 7 124.81 -14.88 REMARK 500 3 CYS B 19 -83.84 -120.28 REMARK 500 3 GLU B 21 -2.31 72.66 REMARK 500 3 ARG B 22 12.57 -144.99 REMARK 500 3 PHE B 24 -168.09 -161.05 REMARK 500 3 THR B 27 -161.64 -115.57 REMARK 500 3 PRO B 28 30.15 -84.61 REMARK 500 3 LYS B 29 94.61 64.21 REMARK 500 4 SER A 9 -170.69 169.16 REMARK 500 4 CYS A 20 -112.41 -61.54 REMARK 500 4 ASN B 3 75.12 -174.10 REMARK 500 4 CYS B 7 123.04 -15.04 REMARK 500 4 CYS B 19 59.51 -158.29 REMARK 500 4 PHE B 25 73.80 -115.72 REMARK 500 4 LYS B 29 36.13 36.47 REMARK 500 5 SER A 9 -166.19 167.73 REMARK 500 5 ASN A 18 30.95 -69.38 REMARK 500 5 ASN B 3 101.29 -47.88 REMARK 500 5 GLN B 4 -165.00 -160.45 REMARK 500 5 CYS B 7 123.68 -14.85 REMARK 500 5 CYS B 19 56.94 -148.95 REMARK 500 5 PHE B 24 -156.65 -153.63 REMARK 500 6 SER A 9 -173.58 168.93 REMARK 500 6 ASN A 18 38.96 -68.45 REMARK 500 6 TYR A 19 -29.78 -140.00 REMARK 500 REMARK 500 THIS ENTRY HAS 93 RAMACHANDRAN OUTLIERS. REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: PLANAR GROUPS REMARK 500 REMARK 500 PLANAR GROUPS IN THE FOLLOWING RESIDUES HAVE A TOTAL REMARK 500 RMS DISTANCE OF ALL ATOMS FROM THE BEST-FIT PLANE REMARK 500 BY MORE THAN AN EXPECTED VALUE OF 6*RMSD, WITH AN REMARK 500 RMSD 0.02 ANGSTROMS, OR AT LEAST ONE ATOM HAS REMARK 500 AN RMSD GREATER THAN THIS VALUE REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 M RES CSSEQI RMS TYPE REMARK 500 1 ARG B 22 0.26 SIDE CHAIN REMARK 500 2 ARG B 22 0.25 SIDE CHAIN REMARK 500 3 ARG B 22 0.26 SIDE CHAIN REMARK 500 4 ARG B 22 0.27 SIDE CHAIN REMARK 500 5 ARG B 22 0.28 SIDE CHAIN REMARK 500 6 ARG B 22 0.28 SIDE CHAIN REMARK 500 7 ARG B 22 0.21 SIDE CHAIN REMARK 500 8 ARG B 22 0.29 SIDE CHAIN REMARK 500 9 ARG B 22 0.31 SIDE CHAIN REMARK 500 10 ARG B 22 0.32 SIDE CHAIN REMARK 500 REMARK 500 REMARK: NULL DBREF 2HIU A 1 21 UNP P01308 INS_HUMAN 90 110 DBREF 2HIU B 1 30 UNP P01308 INS_HUMAN 25 54 SEQRES 1 A 21 GLY ILE VAL GLU GLN CYS CYS THR SER ILE CYS SER LEU SEQRES 2 A 21 TYR GLN LEU GLU ASN TYR CYS ASN SEQRES 1 B 30 PHE VAL ASN GLN HIS LEU CYS GLY SER HIS LEU VAL GLU SEQRES 2 B 30 ALA LEU TYR LEU VAL CYS GLY GLU ARG GLY PHE PHE TYR SEQRES 3 B 30 THR PRO LYS THR HELIX 1 1 ILE A 2 THR A 8 1 7 HELIX 2 2 LEU A 13 TYR A 19 1 7 HELIX 3 3 SER B 9 CYS B 19 1 11 SSBOND 1 CYS A 6 CYS A 11 1555 1555 2.01 SSBOND 2 CYS A 7 CYS B 7 1555 1555 2.02 SSBOND 3 CYS A 20 CYS B 19 1555 1555 2.01 CRYST1 1.000 1.000 1.000 90.00 90.00 90.00 P 1 1 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 1.000000 0.000000 0.000000 0.00000 SCALE2 0.000000 1.000000 0.000000 0.00000 SCALE3 0.000000 0.000000 1.000000 0.00000 MODEL 1 ATOM 1 N GLY A 1 -6.132 6.735 1.016 1.00 0.00 N ATOM 2 CA GLY A 1 -4.686 6.753 1.376 1.00 0.00 C ATOM 3 C GLY A 1 -3.864 6.149 0.235 1.00 0.00 C ATOM 4 O GLY A 1 -3.324 6.855 -0.593 1.00 0.00 O ATOM 5 H1 GLY A 1 -6.407 5.776 0.726 1.00 0.00 H ATOM 6 H2 GLY A 1 -6.697 7.020 1.840 1.00 0.00 H ATOM 7 H3 GLY A 1 -6.302 7.398 0.232 1.00 0.00 H ATOM 8 HA2 GLY A 1 -4.370 7.772 1.548 1.00 0.00 H ATOM 9 HA3 GLY A 1 -4.531 6.170 2.272 1.00 0.00 H ATOM 10 N ILE A 2 -3.761 4.849 0.186 1.00 0.00 N ATOM 11 CA ILE A 2 -2.967 4.202 -0.903 1.00 0.00 C ATOM 12 C ILE A 2 -3.225 4.889 -2.249 1.00 0.00 C ATOM 13 O ILE A 2 -2.395 4.864 -3.136 1.00 0.00 O ATOM 14 CB ILE A 2 -3.444 2.747 -0.936 1.00 0.00 C ATOM 15 CG1 ILE A 2 -3.026 2.098 -2.256 1.00 0.00 C ATOM 16 CG2 ILE A 2 -4.968 2.697 -0.808 1.00 0.00 C ATOM 17 CD1 ILE A 2 -3.110 0.577 -2.126 1.00 0.00 C ATOM 18 H ILE A 2 -4.201 4.296 0.869 1.00 0.00 H ATOM 19 HA ILE A 2 -1.921 4.237 -0.665 1.00 0.00 H ATOM 20 HB ILE A 2 -2.996 2.206 -0.116 1.00 0.00 H ATOM 21 HG12 ILE A 2 -3.686 2.431 -3.044 1.00 0.00 H ATOM 22 HG13 ILE A 2 -2.011 2.382 -2.492 1.00 0.00 H ATOM 23 HG21 ILE A 2 -5.404 3.498 -1.386 1.00 0.00 H ATOM 24 HG22 ILE A 2 -5.330 1.749 -1.176 1.00 0.00 H ATOM 25 HG23 ILE A 2 -5.245 2.811 0.230 1.00 0.00 H ATOM 26 HD11 ILE A 2 -2.862 0.289 -1.115 1.00 0.00 H ATOM 27 HD12 ILE A 2 -4.115 0.251 -2.356 1.00 0.00 H ATOM 28 HD13 ILE A 2 -2.416 0.117 -2.813 1.00 0.00 H ATOM 29 N VAL A 3 -4.363 5.502 -2.410 1.00 0.00 N ATOM 30 CA VAL A 3 -4.662 6.186 -3.700 1.00 0.00 C ATOM 31 C VAL A 3 -3.971 7.551 -3.748 1.00 0.00 C ATOM 32 O VAL A 3 -3.683 8.073 -4.806 1.00 0.00 O ATOM 33 CB VAL A 3 -6.181 6.357 -3.719 1.00 0.00 C ATOM 34 CG1 VAL A 3 -6.849 4.982 -3.793 1.00 0.00 C ATOM 35 CG2 VAL A 3 -6.632 7.075 -2.445 1.00 0.00 C ATOM 36 H VAL A 3 -5.017 5.513 -1.687 1.00 0.00 H ATOM 37 HA VAL A 3 -4.351 5.578 -4.532 1.00 0.00 H ATOM 38 HB VAL A 3 -6.467 6.939 -4.583 1.00 0.00 H ATOM 39 HG11 VAL A 3 -6.510 4.464 -4.679 1.00 0.00 H ATOM 40 HG12 VAL A 3 -6.587 4.407 -2.918 1.00 0.00 H ATOM 41 HG13 VAL A 3 -7.921 5.105 -3.836 1.00 0.00 H ATOM 42 HG21 VAL A 3 -5.781 7.229 -1.798 1.00 0.00 H ATOM 43 HG22 VAL A 3 -7.065 8.029 -2.705 1.00 0.00 H ATOM 44 HG23 VAL A 3 -7.369 6.473 -1.933 1.00 0.00 H ATOM 45 N GLU A 4 -3.715 8.138 -2.612 1.00 0.00 N ATOM 46 CA GLU A 4 -3.056 9.477 -2.599 1.00 0.00 C ATOM 47 C GLU A 4 -1.593 9.369 -2.161 1.00 0.00 C ATOM 48 O GLU A 4 -0.851 10.330 -2.223 1.00 0.00 O ATOM 49 CB GLU A 4 -3.844 10.317 -1.587 1.00 0.00 C ATOM 50 CG GLU A 4 -5.326 9.938 -1.628 1.00 0.00 C ATOM 51 CD GLU A 4 -6.181 11.206 -1.571 1.00 0.00 C ATOM 52 OE1 GLU A 4 -6.080 11.921 -0.587 1.00 0.00 O ATOM 53 OE2 GLU A 4 -6.920 11.439 -2.512 1.00 0.00 O ATOM 54 H GLU A 4 -3.964 7.705 -1.768 1.00 0.00 H ATOM 55 HA GLU A 4 -3.117 9.929 -3.576 1.00 0.00 H ATOM 56 HB2 GLU A 4 -3.456 10.137 -0.595 1.00 0.00 H ATOM 57 HB3 GLU A 4 -3.736 11.364 -1.829 1.00 0.00 H ATOM 58 HG2 GLU A 4 -5.533 9.402 -2.541 1.00 0.00 H ATOM 59 HG3 GLU A 4 -5.559 9.311 -0.781 1.00 0.00 H ATOM 60 N GLN A 5 -1.162 8.226 -1.705 1.00 0.00 N ATOM 61 CA GLN A 5 0.259 8.118 -1.262 1.00 0.00 C ATOM 62 C GLN A 5 1.166 7.758 -2.446 1.00 0.00 C ATOM 63 O GLN A 5 2.264 8.267 -2.558 1.00 0.00 O ATOM 64 CB GLN A 5 0.286 7.037 -0.171 1.00 0.00 C ATOM 65 CG GLN A 5 1.224 7.479 0.957 1.00 0.00 C ATOM 66 CD GLN A 5 0.814 8.866 1.458 1.00 0.00 C ATOM 67 OE1 GLN A 5 -0.356 9.192 1.492 1.00 0.00 O ATOM 68 NE2 GLN A 5 1.735 9.704 1.850 1.00 0.00 N ATOM 69 H GLN A 5 -1.766 7.455 -1.646 1.00 0.00 H ATOM 70 HA GLN A 5 0.575 9.061 -0.844 1.00 0.00 H ATOM 71 HB2 GLN A 5 -0.711 6.899 0.223 1.00 0.00 H ATOM 72 HB3 GLN A 5 0.644 6.104 -0.579 1.00 0.00 H ATOM 73 HG2 GLN A 5 1.165 6.770 1.769 1.00 0.00 H ATOM 74 HG3 GLN A 5 2.237 7.518 0.585 1.00 0.00 H ATOM 75 HE21 GLN A 5 2.680 9.442 1.821 1.00 0.00 H ATOM 76 HE22 GLN A 5 1.483 10.594 2.171 1.00 0.00 H ATOM 77 N CYS A 6 0.737 6.900 -3.337 1.00 0.00 N ATOM 78 CA CYS A 6 1.622 6.560 -4.489 1.00 0.00 C ATOM 79 C CYS A 6 1.322 7.450 -5.702 1.00 0.00 C ATOM 80 O CYS A 6 2.206 8.070 -6.214 1.00 0.00 O ATOM 81 CB CYS A 6 1.430 5.054 -4.806 1.00 0.00 C ATOM 82 SG CYS A 6 0.947 4.148 -3.324 1.00 0.00 S ATOM 83 H CYS A 6 -0.144 6.486 -3.251 1.00 0.00 H ATOM 84 HA CYS A 6 2.649 6.723 -4.203 1.00 0.00 H ATOM 85 HB2 CYS A 6 0.693 4.910 -5.577 1.00 0.00 H ATOM 86 HB3 CYS A 6 2.371 4.652 -5.153 1.00 0.00 H ATOM 87 N CYS A 7 0.119 7.560 -6.183 1.00 0.00 N ATOM 88 CA CYS A 7 -0.065 8.451 -7.375 1.00 0.00 C ATOM 89 C CYS A 7 0.271 9.883 -7.000 1.00 0.00 C ATOM 90 O CYS A 7 1.000 10.575 -7.682 1.00 0.00 O ATOM 91 CB CYS A 7 -1.535 8.365 -7.759 1.00 0.00 C ATOM 92 SG CYS A 7 -1.759 9.107 -9.403 1.00 0.00 S ATOM 93 H CYS A 7 -0.639 7.090 -5.777 1.00 0.00 H ATOM 94 HA CYS A 7 0.557 8.119 -8.195 1.00 0.00 H ATOM 95 HB2 CYS A 7 -1.848 7.344 -7.762 1.00 0.00 H ATOM 96 HB3 CYS A 7 -2.117 8.909 -7.042 1.00 0.00 H ATOM 97 N THR A 8 -0.285 10.326 -5.923 1.00 0.00 N ATOM 98 CA THR A 8 -0.053 11.715 -5.462 1.00 0.00 C ATOM 99 C THR A 8 1.244 11.805 -4.639 1.00 0.00 C ATOM 100 O THR A 8 1.420 12.707 -3.847 1.00 0.00 O ATOM 101 CB THR A 8 -1.289 11.992 -4.605 1.00 0.00 C ATOM 102 OG1 THR A 8 -2.383 12.307 -5.456 1.00 0.00 O ATOM 103 CG2 THR A 8 -1.037 13.160 -3.651 1.00 0.00 C ATOM 104 H THR A 8 -0.881 9.736 -5.413 1.00 0.00 H ATOM 105 HA THR A 8 -0.023 12.395 -6.298 1.00 0.00 H ATOM 106 HB THR A 8 -1.524 11.102 -4.035 1.00 0.00 H ATOM 107 HG1 THR A 8 -2.171 13.119 -5.923 1.00 0.00 H ATOM 108 HG21 THR A 8 -0.511 13.944 -4.173 1.00 0.00 H ATOM 109 HG22 THR A 8 -1.982 13.539 -3.288 1.00 0.00 H ATOM 110 HG23 THR A 8 -0.442 12.820 -2.815 1.00 0.00 H ATOM 111 N SER A 9 2.164 10.886 -4.828 1.00 0.00 N ATOM 112 CA SER A 9 3.445 10.943 -4.049 1.00 0.00 C ATOM 113 C SER A 9 4.212 9.623 -4.201 1.00 0.00 C ATOM 114 O SER A 9 4.033 8.899 -5.156 1.00 0.00 O ATOM 115 CB SER A 9 3.020 11.163 -2.589 1.00 0.00 C ATOM 116 OG SER A 9 4.054 10.743 -1.710 1.00 0.00 O ATOM 117 H SER A 9 2.021 10.166 -5.490 1.00 0.00 H ATOM 118 HA SER A 9 4.050 11.770 -4.386 1.00 0.00 H ATOM 119 HB2 SER A 9 2.829 12.210 -2.423 1.00 0.00 H ATOM 120 HB3 SER A 9 2.116 10.602 -2.391 1.00 0.00 H ATOM 121 HG SER A 9 4.267 11.477 -1.129 1.00 0.00 H ATOM 122 N ILE A 10 5.065 9.305 -3.272 1.00 0.00 N ATOM 123 CA ILE A 10 5.833 8.032 -3.368 1.00 0.00 C ATOM 124 C ILE A 10 5.524 7.138 -2.167 1.00 0.00 C ATOM 125 O ILE A 10 5.875 7.447 -1.046 1.00 0.00 O ATOM 126 CB ILE A 10 7.299 8.452 -3.345 1.00 0.00 C ATOM 127 CG1 ILE A 10 7.567 9.439 -4.482 1.00 0.00 C ATOM 128 CG2 ILE A 10 8.186 7.220 -3.518 1.00 0.00 C ATOM 129 CD1 ILE A 10 7.259 10.859 -4.006 1.00 0.00 C ATOM 130 H ILE A 10 5.201 9.904 -2.509 1.00 0.00 H ATOM 131 HA ILE A 10 5.608 7.523 -4.291 1.00 0.00 H ATOM 132 HB ILE A 10 7.518 8.922 -2.399 1.00 0.00 H ATOM 133 HG12 ILE A 10 8.604 9.373 -4.779 1.00 0.00 H ATOM 134 HG13 ILE A 10 6.935 9.199 -5.324 1.00 0.00 H ATOM 135 HG21 ILE A 10 7.672 6.489 -4.124 1.00 0.00 H ATOM 136 HG22 ILE A 10 9.109 7.505 -4.001 1.00 0.00 H ATOM 137 HG23 ILE A 10 8.403 6.794 -2.549 1.00 0.00 H ATOM 138 HD11 ILE A 10 7.311 10.897 -2.928 1.00 0.00 H ATOM 139 HD12 ILE A 10 7.983 11.543 -4.425 1.00 0.00 H ATOM 140 HD13 ILE A 10 6.268 11.140 -4.330 1.00 0.00 H ATOM 141 N CYS A 11 4.890 6.020 -2.390 1.00 0.00 N ATOM 142 CA CYS A 11 4.588 5.103 -1.246 1.00 0.00 C ATOM 143 C CYS A 11 5.443 3.840 -1.394 1.00 0.00 C ATOM 144 O CYS A 11 5.807 3.460 -2.489 1.00 0.00 O ATOM 145 CB CYS A 11 3.078 4.811 -1.326 1.00 0.00 C ATOM 146 SG CYS A 11 2.734 3.576 -2.598 1.00 0.00 S ATOM 147 H CYS A 11 4.631 5.778 -3.305 1.00 0.00 H ATOM 148 HA CYS A 11 4.817 5.594 -0.311 1.00 0.00 H ATOM 149 HB2 CYS A 11 2.724 4.447 -0.378 1.00 0.00 H ATOM 150 HB3 CYS A 11 2.554 5.721 -1.558 1.00 0.00 H ATOM 151 N SER A 12 5.810 3.208 -0.310 1.00 0.00 N ATOM 152 CA SER A 12 6.690 2.003 -0.431 1.00 0.00 C ATOM 153 C SER A 12 5.936 0.694 -0.275 1.00 0.00 C ATOM 154 O SER A 12 4.725 0.644 -0.197 1.00 0.00 O ATOM 155 CB SER A 12 7.721 2.129 0.682 1.00 0.00 C ATOM 156 OG SER A 12 7.273 3.073 1.644 1.00 0.00 O ATOM 157 H SER A 12 5.539 3.537 0.574 1.00 0.00 H ATOM 158 HA SER A 12 7.196 2.019 -1.382 1.00 0.00 H ATOM 159 HB2 SER A 12 7.843 1.172 1.162 1.00 0.00 H ATOM 160 HB3 SER A 12 8.664 2.430 0.261 1.00 0.00 H ATOM 161 HG SER A 12 6.850 2.591 2.359 1.00 0.00 H ATOM 162 N LEU A 13 6.684 -0.373 -0.229 1.00 0.00 N ATOM 163 CA LEU A 13 6.071 -1.723 -0.084 1.00 0.00 C ATOM 164 C LEU A 13 5.572 -1.924 1.343 1.00 0.00 C ATOM 165 O LEU A 13 4.673 -2.703 1.590 1.00 0.00 O ATOM 166 CB LEU A 13 7.186 -2.719 -0.422 1.00 0.00 C ATOM 167 CG LEU A 13 7.750 -2.406 -1.809 1.00 0.00 C ATOM 168 CD1 LEU A 13 9.218 -2.830 -1.870 1.00 0.00 C ATOM 169 CD2 LEU A 13 6.954 -3.173 -2.867 1.00 0.00 C ATOM 170 H LEU A 13 7.662 -0.276 -0.291 1.00 0.00 H ATOM 171 HA LEU A 13 5.258 -1.836 -0.778 1.00 0.00 H ATOM 172 HB2 LEU A 13 7.976 -2.643 0.312 1.00 0.00 H ATOM 173 HB3 LEU A 13 6.787 -3.722 -0.417 1.00 0.00 H ATOM 174 HG LEU A 13 7.673 -1.345 -1.997 1.00 0.00 H ATOM 175 HD11 LEU A 13 9.330 -3.806 -1.422 1.00 0.00 H ATOM 176 HD12 LEU A 13 9.540 -2.868 -2.900 1.00 0.00 H ATOM 177 HD13 LEU A 13 9.821 -2.115 -1.330 1.00 0.00 H ATOM 178 HD21 LEU A 13 6.847 -4.204 -2.561 1.00 0.00 H ATOM 179 HD22 LEU A 13 5.977 -2.727 -2.978 1.00 0.00 H ATOM 180 HD23 LEU A 13 7.478 -3.132 -3.812 1.00 0.00 H ATOM 181 N TYR A 14 6.125 -1.213 2.281 1.00 0.00 N ATOM 182 CA TYR A 14 5.651 -1.355 3.682 1.00 0.00 C ATOM 183 C TYR A 14 4.493 -0.389 3.900 1.00 0.00 C ATOM 184 O TYR A 14 3.644 -0.592 4.745 1.00 0.00 O ATOM 185 CB TYR A 14 6.839 -1.001 4.572 1.00 0.00 C ATOM 186 CG TYR A 14 6.590 -1.561 5.950 1.00 0.00 C ATOM 187 CD1 TYR A 14 5.806 -0.845 6.862 1.00 0.00 C ATOM 188 CD2 TYR A 14 7.136 -2.799 6.313 1.00 0.00 C ATOM 189 CE1 TYR A 14 5.568 -1.365 8.141 1.00 0.00 C ATOM 190 CE2 TYR A 14 6.899 -3.321 7.593 1.00 0.00 C ATOM 191 CZ TYR A 14 6.115 -2.603 8.507 1.00 0.00 C ATOM 192 OH TYR A 14 5.880 -3.115 9.766 1.00 0.00 O ATOM 193 H TYR A 14 6.829 -0.573 2.061 1.00 0.00 H ATOM 194 HA TYR A 14 5.334 -2.369 3.870 1.00 0.00 H ATOM 195 HB2 TYR A 14 7.741 -1.432 4.160 1.00 0.00 H ATOM 196 HB3 TYR A 14 6.942 0.072 4.631 1.00 0.00 H ATOM 197 HD1 TYR A 14 5.383 0.108 6.578 1.00 0.00 H ATOM 198 HD2 TYR A 14 7.738 -3.353 5.606 1.00 0.00 H ATOM 199 HE1 TYR A 14 4.963 -0.814 8.845 1.00 0.00 H ATOM 200 HE2 TYR A 14 7.321 -4.275 7.874 1.00 0.00 H ATOM 201 HH TYR A 14 5.063 -2.733 10.094 1.00 0.00 H ATOM 202 N GLN A 15 4.429 0.643 3.106 1.00 0.00 N ATOM 203 CA GLN A 15 3.297 1.589 3.230 1.00 0.00 C ATOM 204 C GLN A 15 2.105 0.938 2.537 1.00 0.00 C ATOM 205 O GLN A 15 0.981 0.983 3.003 1.00 0.00 O ATOM 206 CB GLN A 15 3.751 2.862 2.508 1.00 0.00 C ATOM 207 CG GLN A 15 3.813 4.012 3.514 1.00 0.00 C ATOM 208 CD GLN A 15 3.030 5.212 2.977 1.00 0.00 C ATOM 209 OE1 GLN A 15 2.979 5.435 1.783 1.00 0.00 O ATOM 210 NE2 GLN A 15 2.414 6.000 3.816 1.00 0.00 N ATOM 211 H GLN A 15 5.104 0.770 2.407 1.00 0.00 H ATOM 212 HA GLN A 15 3.077 1.795 4.266 1.00 0.00 H ATOM 213 HB2 GLN A 15 4.732 2.702 2.083 1.00 0.00 H ATOM 214 HB3 GLN A 15 3.054 3.110 1.721 1.00 0.00 H ATOM 215 HG2 GLN A 15 3.379 3.691 4.451 1.00 0.00 H ATOM 216 HG3 GLN A 15 4.842 4.297 3.674 1.00 0.00 H ATOM 217 HE21 GLN A 15 2.456 5.819 4.778 1.00 0.00 H ATOM 218 HE22 GLN A 15 1.911 6.772 3.484 1.00 0.00 H ATOM 219 N LEU A 16 2.373 0.272 1.447 1.00 0.00 N ATOM 220 CA LEU A 16 1.302 -0.452 0.720 1.00 0.00 C ATOM 221 C LEU A 16 0.971 -1.730 1.492 1.00 0.00 C ATOM 222 O LEU A 16 -0.039 -2.366 1.267 1.00 0.00 O ATOM 223 CB LEU A 16 1.918 -0.787 -0.639 1.00 0.00 C ATOM 224 CG LEU A 16 0.894 -0.556 -1.749 1.00 0.00 C ATOM 225 CD1 LEU A 16 0.739 0.945 -2.002 1.00 0.00 C ATOM 226 CD2 LEU A 16 1.383 -1.236 -3.028 1.00 0.00 C ATOM 227 H LEU A 16 3.299 0.217 1.126 1.00 0.00 H ATOM 228 HA LEU A 16 0.429 0.168 0.600 1.00 0.00 H ATOM 229 HB2 LEU A 16 2.779 -0.156 -0.807 1.00 0.00 H ATOM 230 HB3 LEU A 16 2.225 -1.821 -0.646 1.00 0.00 H ATOM 231 HG LEU A 16 -0.058 -0.973 -1.456 1.00 0.00 H ATOM 232 HD11 LEU A 16 1.118 1.494 -1.153 1.00 0.00 H ATOM 233 HD12 LEU A 16 1.296 1.219 -2.886 1.00 0.00 H ATOM 234 HD13 LEU A 16 -0.305 1.179 -2.146 1.00 0.00 H ATOM 235 HD21 LEU A 16 1.716 -2.237 -2.797 1.00 0.00 H ATOM 236 HD22 LEU A 16 0.577 -1.279 -3.745 1.00 0.00 H ATOM 237 HD23 LEU A 16 2.206 -0.672 -3.444 1.00 0.00 H ATOM 238 N GLU A 17 1.830 -2.107 2.407 1.00 0.00 N ATOM 239 CA GLU A 17 1.586 -3.340 3.207 1.00 0.00 C ATOM 240 C GLU A 17 0.315 -3.188 4.032 1.00 0.00 C ATOM 241 O GLU A 17 -0.271 -4.157 4.476 1.00 0.00 O ATOM 242 CB GLU A 17 2.793 -3.466 4.132 1.00 0.00 C ATOM 243 CG GLU A 17 3.703 -4.578 3.629 1.00 0.00 C ATOM 244 CD GLU A 17 4.214 -5.399 4.813 1.00 0.00 C ATOM 245 OE1 GLU A 17 4.615 -4.798 5.797 1.00 0.00 O ATOM 246 OE2 GLU A 17 4.197 -6.615 4.717 1.00 0.00 O ATOM 247 H GLU A 17 2.638 -1.575 2.567 1.00 0.00 H ATOM 248 HA GLU A 17 1.523 -4.201 2.564 1.00 0.00 H ATOM 249 HB2 GLU A 17 3.336 -2.535 4.141 1.00 0.00 H ATOM 250 HB3 GLU A 17 2.459 -3.701 5.131 1.00 0.00 H ATOM 251 HG2 GLU A 17 3.153 -5.218 2.953 1.00 0.00 H ATOM 252 HG3 GLU A 17 4.536 -4.137 3.111 1.00 0.00 H ATOM 253 N ASN A 18 -0.125 -1.977 4.239 1.00 0.00 N ATOM 254 CA ASN A 18 -1.364 -1.771 5.038 1.00 0.00 C ATOM 255 C ASN A 18 -2.604 -2.168 4.228 1.00 0.00 C ATOM 256 O ASN A 18 -3.719 -1.861 4.603 1.00 0.00 O ATOM 257 CB ASN A 18 -1.385 -0.274 5.354 1.00 0.00 C ATOM 258 CG ASN A 18 -0.099 0.114 6.088 1.00 0.00 C ATOM 259 OD1 ASN A 18 0.371 1.228 5.966 1.00 0.00 O ATOM 260 ND2 ASN A 18 0.495 -0.763 6.852 1.00 0.00 N ATOM 261 H ASN A 18 0.357 -1.209 3.869 1.00 0.00 H ATOM 262 HA ASN A 18 -1.317 -2.337 5.955 1.00 0.00 H ATOM 263 HB2 ASN A 18 -1.458 0.286 4.434 1.00 0.00 H ATOM 264 HB3 ASN A 18 -2.235 -0.050 5.981 1.00 0.00 H ATOM 265 HD21 ASN A 18 0.116 -1.661 6.953 1.00 0.00 H ATOM 266 HD22 ASN A 18 1.318 -0.523 7.326 1.00 0.00 H ATOM 267 N TYR A 19 -2.431 -2.846 3.122 1.00 0.00 N ATOM 268 CA TYR A 19 -3.615 -3.245 2.309 1.00 0.00 C ATOM 269 C TYR A 19 -3.600 -4.753 2.033 1.00 0.00 C ATOM 270 O TYR A 19 -4.578 -5.315 1.578 1.00 0.00 O ATOM 271 CB TYR A 19 -3.483 -2.440 1.018 1.00 0.00 C ATOM 272 CG TYR A 19 -3.528 -0.971 1.364 1.00 0.00 C ATOM 273 CD1 TYR A 19 -4.762 -0.320 1.496 1.00 0.00 C ATOM 274 CD2 TYR A 19 -2.337 -0.264 1.576 1.00 0.00 C ATOM 275 CE1 TYR A 19 -4.805 1.038 1.836 1.00 0.00 C ATOM 276 CE2 TYR A 19 -2.380 1.094 1.919 1.00 0.00 C ATOM 277 CZ TYR A 19 -3.614 1.745 2.050 1.00 0.00 C ATOM 278 OH TYR A 19 -3.655 3.082 2.389 1.00 0.00 O ATOM 279 H TYR A 19 -1.528 -3.087 2.822 1.00 0.00 H ATOM 280 HA TYR A 19 -4.525 -2.970 2.818 1.00 0.00 H ATOM 281 HB2 TYR A 19 -2.543 -2.675 0.538 1.00 0.00 H ATOM 282 HB3 TYR A 19 -4.299 -2.680 0.353 1.00 0.00 H ATOM 283 HD1 TYR A 19 -5.679 -0.863 1.331 1.00 0.00 H ATOM 284 HD2 TYR A 19 -1.385 -0.765 1.473 1.00 0.00 H ATOM 285 HE1 TYR A 19 -5.756 1.540 1.936 1.00 0.00 H ATOM 286 HE2 TYR A 19 -1.461 1.639 2.082 1.00 0.00 H ATOM 287 HH TYR A 19 -2.766 3.355 2.632 1.00 0.00 H ATOM 288 N CYS A 20 -2.500 -5.412 2.309 1.00 0.00 N ATOM 289 CA CYS A 20 -2.420 -6.886 2.069 1.00 0.00 C ATOM 290 C CYS A 20 -3.584 -7.611 2.767 1.00 0.00 C ATOM 291 O CYS A 20 -4.729 -7.459 2.396 1.00 0.00 O ATOM 292 CB CYS A 20 -1.076 -7.310 2.673 1.00 0.00 C ATOM 293 SG CYS A 20 0.250 -6.262 2.032 1.00 0.00 S ATOM 294 H CYS A 20 -1.729 -4.938 2.673 1.00 0.00 H ATOM 295 HA CYS A 20 -2.428 -7.094 1.012 1.00 0.00 H ATOM 296 HB2 CYS A 20 -1.118 -7.213 3.746 1.00 0.00 H ATOM 297 HB3 CYS A 20 -0.876 -8.340 2.414 1.00 0.00 H ATOM 298 N ASN A 21 -3.308 -8.402 3.773 1.00 0.00 N ATOM 299 CA ASN A 21 -4.408 -9.124 4.472 1.00 0.00 C ATOM 300 C ASN A 21 -5.437 -8.127 5.012 1.00 0.00 C ATOM 301 O ASN A 21 -5.100 -6.961 5.124 1.00 0.00 O ATOM 302 CB ASN A 21 -3.721 -9.863 5.618 1.00 0.00 C ATOM 303 CG ASN A 21 -3.047 -11.124 5.074 1.00 0.00 C ATOM 304 OD1 ASN A 21 -3.702 -11.988 4.528 1.00 0.00 O ATOM 305 ND2 ASN A 21 -1.756 -11.265 5.200 1.00 0.00 N ATOM 306 OXT ASN A 21 -6.543 -8.548 5.303 1.00 0.00 O ATOM 307 H ASN A 21 -2.384 -8.525 4.068 1.00 0.00 H ATOM 308 HA ASN A 21 -4.878 -9.830 3.807 1.00 0.00 H ATOM 309 HB2 ASN A 21 -2.977 -9.220 6.067 1.00 0.00 H ATOM 310 HB3 ASN A 21 -4.454 -10.141 6.361 1.00 0.00 H ATOM 311 HD21 ASN A 21 -1.227 -10.567 5.640 1.00 0.00 H ATOM 312 HD22 ASN A 21 -1.315 -12.070 4.854 1.00 0.00 H TER 313 ASN A 21 ATOM 314 N PHE B 1 11.144 -2.426 -8.884 1.00 0.00 N ATOM 315 CA PHE B 1 11.105 -1.883 -7.495 1.00 0.00 C ATOM 316 C PHE B 1 11.782 -0.512 -7.444 1.00 0.00 C ATOM 317 O PHE B 1 12.978 -0.391 -7.620 1.00 0.00 O ATOM 318 CB PHE B 1 11.882 -2.890 -6.650 1.00 0.00 C ATOM 319 CG PHE B 1 12.210 -2.277 -5.308 1.00 0.00 C ATOM 320 CD1 PHE B 1 11.366 -1.304 -4.756 1.00 0.00 C ATOM 321 CD2 PHE B 1 13.362 -2.679 -4.618 1.00 0.00 C ATOM 322 CE1 PHE B 1 11.674 -0.733 -3.514 1.00 0.00 C ATOM 323 CE2 PHE B 1 13.668 -2.108 -3.375 1.00 0.00 C ATOM 324 CZ PHE B 1 12.825 -1.136 -2.823 1.00 0.00 C ATOM 325 H1 PHE B 1 12.085 -2.253 -9.298 1.00 0.00 H ATOM 326 H2 PHE B 1 10.957 -3.448 -8.862 1.00 0.00 H ATOM 327 H3 PHE B 1 10.419 -1.954 -9.461 1.00 0.00 H ATOM 328 HA PHE B 1 10.088 -1.815 -7.145 1.00 0.00 H ATOM 329 HB2 PHE B 1 11.284 -3.777 -6.505 1.00 0.00 H ATOM 330 HB3 PHE B 1 12.796 -3.149 -7.157 1.00 0.00 H ATOM 331 HD1 PHE B 1 10.479 -0.994 -5.289 1.00 0.00 H ATOM 332 HD2 PHE B 1 14.012 -3.429 -5.043 1.00 0.00 H ATOM 333 HE1 PHE B 1 11.023 0.017 -3.089 1.00 0.00 H ATOM 334 HE2 PHE B 1 14.556 -2.418 -2.843 1.00 0.00 H ATOM 335 HZ PHE B 1 13.062 -0.694 -1.866 1.00 0.00 H ATOM 336 N VAL B 2 11.024 0.518 -7.199 1.00 0.00 N ATOM 337 CA VAL B 2 11.619 1.884 -7.133 1.00 0.00 C ATOM 338 C VAL B 2 10.699 2.828 -6.350 1.00 0.00 C ATOM 339 O VAL B 2 9.516 2.915 -6.612 1.00 0.00 O ATOM 340 CB VAL B 2 11.732 2.341 -8.588 1.00 0.00 C ATOM 341 CG1 VAL B 2 12.824 1.538 -9.297 1.00 0.00 C ATOM 342 CG2 VAL B 2 10.395 2.115 -9.296 1.00 0.00 C ATOM 343 H VAL B 2 10.065 0.392 -7.057 1.00 0.00 H ATOM 344 HA VAL B 2 12.597 1.849 -6.681 1.00 0.00 H ATOM 345 HB VAL B 2 11.983 3.392 -8.614 1.00 0.00 H ATOM 346 HG11 VAL B 2 13.641 1.359 -8.614 1.00 0.00 H ATOM 347 HG12 VAL B 2 12.418 0.593 -9.628 1.00 0.00 H ATOM 348 HG13 VAL B 2 13.182 2.094 -10.150 1.00 0.00 H ATOM 349 HG21 VAL B 2 9.708 1.625 -8.620 1.00 0.00 H ATOM 350 HG22 VAL B 2 9.983 3.066 -9.600 1.00 0.00 H ATOM 351 HG23 VAL B 2 10.548 1.494 -10.166 1.00 0.00 H ATOM 352 N ASN B 3 11.235 3.541 -5.398 1.00 0.00 N ATOM 353 CA ASN B 3 10.392 4.485 -4.608 1.00 0.00 C ATOM 354 C ASN B 3 9.812 5.554 -5.538 1.00 0.00 C ATOM 355 O ASN B 3 10.505 6.451 -5.973 1.00 0.00 O ATOM 356 CB ASN B 3 11.349 5.114 -3.594 1.00 0.00 C ATOM 357 CG ASN B 3 10.974 4.655 -2.184 1.00 0.00 C ATOM 358 OD1 ASN B 3 9.817 4.677 -1.813 1.00 0.00 O ATOM 359 ND2 ASN B 3 11.911 4.238 -1.376 1.00 0.00 N ATOM 360 H ASN B 3 12.193 3.463 -5.206 1.00 0.00 H ATOM 361 HA ASN B 3 9.604 3.955 -4.097 1.00 0.00 H ATOM 362 HB2 ASN B 3 12.360 4.803 -3.817 1.00 0.00 H ATOM 363 HB3 ASN B 3 11.282 6.189 -3.651 1.00 0.00 H ATOM 364 HD21 ASN B 3 12.844 4.220 -1.675 1.00 0.00 H ATOM 365 HD22 ASN B 3 11.681 3.941 -0.471 1.00 0.00 H ATOM 366 N GLN B 4 8.551 5.457 -5.865 1.00 0.00 N ATOM 367 CA GLN B 4 7.950 6.458 -6.786 1.00 0.00 C ATOM 368 C GLN B 4 6.421 6.487 -6.626 1.00 0.00 C ATOM 369 O GLN B 4 5.868 5.938 -5.682 1.00 0.00 O ATOM 370 CB GLN B 4 8.358 5.953 -8.177 1.00 0.00 C ATOM 371 CG GLN B 4 8.231 7.079 -9.207 1.00 0.00 C ATOM 372 CD GLN B 4 9.341 6.941 -10.250 1.00 0.00 C ATOM 373 OE1 GLN B 4 9.520 5.886 -10.826 1.00 0.00 O ATOM 374 NE2 GLN B 4 10.099 7.968 -10.521 1.00 0.00 N ATOM 375 H GLN B 4 8.007 4.719 -5.521 1.00 0.00 H ATOM 376 HA GLN B 4 8.369 7.435 -6.610 1.00 0.00 H ATOM 377 HB2 GLN B 4 9.385 5.619 -8.144 1.00 0.00 H ATOM 378 HB3 GLN B 4 7.725 5.125 -8.465 1.00 0.00 H ATOM 379 HG2 GLN B 4 7.268 7.014 -9.694 1.00 0.00 H ATOM 380 HG3 GLN B 4 8.322 8.034 -8.711 1.00 0.00 H ATOM 381 HE21 GLN B 4 9.954 8.819 -10.057 1.00 0.00 H ATOM 382 HE22 GLN B 4 10.812 7.889 -11.188 1.00 0.00 H ATOM 383 N HIS B 5 5.734 7.131 -7.537 1.00 0.00 N ATOM 384 CA HIS B 5 4.249 7.198 -7.449 1.00 0.00 C ATOM 385 C HIS B 5 3.650 5.981 -8.173 1.00 0.00 C ATOM 386 O HIS B 5 4.158 5.548 -9.187 1.00 0.00 O ATOM 387 CB HIS B 5 3.855 8.517 -8.143 1.00 0.00 C ATOM 388 CG HIS B 5 4.823 9.610 -7.768 1.00 0.00 C ATOM 389 ND1 HIS B 5 4.489 10.609 -6.871 1.00 0.00 N ATOM 390 CD2 HIS B 5 6.110 9.879 -8.165 1.00 0.00 C ATOM 391 CE1 HIS B 5 5.551 11.427 -6.757 1.00 0.00 C ATOM 392 NE2 HIS B 5 6.567 11.027 -7.526 1.00 0.00 N ATOM 393 H HIS B 5 6.194 7.570 -8.275 1.00 0.00 H ATOM 394 HA HIS B 5 3.948 7.208 -6.417 1.00 0.00 H ATOM 395 HB2 HIS B 5 3.866 8.381 -9.204 1.00 0.00 H ATOM 396 HB3 HIS B 5 2.864 8.807 -7.846 1.00 0.00 H ATOM 397 HD1 HIS B 5 3.635 10.706 -6.405 1.00 0.00 H ATOM 398 HD2 HIS B 5 6.681 9.288 -8.866 1.00 0.00 H ATOM 399 HE1 HIS B 5 5.576 12.299 -6.121 1.00 0.00 H ATOM 400 N LEU B 6 2.608 5.394 -7.638 1.00 0.00 N ATOM 401 CA LEU B 6 2.038 4.173 -8.287 1.00 0.00 C ATOM 402 C LEU B 6 0.558 4.294 -8.676 1.00 0.00 C ATOM 403 O LEU B 6 -0.163 3.326 -8.589 1.00 0.00 O ATOM 404 CB LEU B 6 2.157 3.085 -7.218 1.00 0.00 C ATOM 405 CG LEU B 6 3.612 2.881 -6.809 1.00 0.00 C ATOM 406 CD1 LEU B 6 3.669 2.365 -5.370 1.00 0.00 C ATOM 407 CD2 LEU B 6 4.241 1.845 -7.725 1.00 0.00 C ATOM 408 H LEU B 6 2.239 5.723 -6.804 1.00 0.00 H ATOM 409 HA LEU B 6 2.620 3.916 -9.142 1.00 0.00 H ATOM 410 HB2 LEU B 6 1.584 3.376 -6.354 1.00 0.00 H ATOM 411 HB3 LEU B 6 1.761 2.165 -7.604 1.00 0.00 H ATOM 412 HG LEU B 6 4.150 3.815 -6.885 1.00 0.00 H ATOM 413 HD11 LEU B 6 2.694 2.455 -4.917 1.00 0.00 H ATOM 414 HD12 LEU B 6 3.970 1.327 -5.373 1.00 0.00 H ATOM 415 HD13 LEU B 6 4.383 2.944 -4.807 1.00 0.00 H ATOM 416 HD21 LEU B 6 3.568 1.641 -8.544 1.00 0.00 H ATOM 417 HD22 LEU B 6 5.175 2.222 -8.105 1.00 0.00 H ATOM 418 HD23 LEU B 6 4.415 0.937 -7.166 1.00 0.00 H ATOM 419 N CYS B 7 0.101 5.431 -9.110 1.00 0.00 N ATOM 420 CA CYS B 7 -1.348 5.570 -9.493 1.00 0.00 C ATOM 421 C CYS B 7 -2.023 4.220 -9.767 1.00 0.00 C ATOM 422 O CYS B 7 -1.537 3.407 -10.522 1.00 0.00 O ATOM 423 CB CYS B 7 -1.363 6.460 -10.729 1.00 0.00 C ATOM 424 SG CYS B 7 -2.661 7.689 -10.521 1.00 0.00 S ATOM 425 H CYS B 7 0.704 6.196 -9.190 1.00 0.00 H ATOM 426 HA CYS B 7 -1.878 6.060 -8.705 1.00 0.00 H ATOM 427 HB2 CYS B 7 -0.411 6.960 -10.828 1.00 0.00 H ATOM 428 HB3 CYS B 7 -1.563 5.870 -11.606 1.00 0.00 H ATOM 429 N GLY B 8 -3.135 4.004 -9.105 1.00 0.00 N ATOM 430 CA GLY B 8 -3.933 2.735 -9.209 1.00 0.00 C ATOM 431 C GLY B 8 -3.301 1.672 -10.128 1.00 0.00 C ATOM 432 O GLY B 8 -2.942 0.607 -9.668 1.00 0.00 O ATOM 433 H GLY B 8 -3.453 4.701 -8.495 1.00 0.00 H ATOM 434 HA2 GLY B 8 -4.016 2.312 -8.219 1.00 0.00 H ATOM 435 HA3 GLY B 8 -4.925 2.971 -9.558 1.00 0.00 H ATOM 436 N SER B 9 -3.178 1.908 -11.414 1.00 0.00 N ATOM 437 CA SER B 9 -2.593 0.852 -12.282 1.00 0.00 C ATOM 438 C SER B 9 -1.210 0.453 -11.784 1.00 0.00 C ATOM 439 O SER B 9 -0.817 -0.700 -11.855 1.00 0.00 O ATOM 440 CB SER B 9 -2.513 1.470 -13.678 1.00 0.00 C ATOM 441 OG SER B 9 -1.306 2.212 -13.796 1.00 0.00 O ATOM 442 H SER B 9 -3.474 2.754 -11.810 1.00 0.00 H ATOM 443 HA SER B 9 -3.238 -0.006 -12.294 1.00 0.00 H ATOM 444 HB2 SER B 9 -2.521 0.688 -14.421 1.00 0.00 H ATOM 445 HB3 SER B 9 -3.365 2.119 -13.834 1.00 0.00 H ATOM 446 HG SER B 9 -1.532 3.145 -13.813 1.00 0.00 H ATOM 447 N HIS B 10 -0.477 1.376 -11.242 1.00 0.00 N ATOM 448 CA HIS B 10 0.857 1.011 -10.723 1.00 0.00 C ATOM 449 C HIS B 10 0.653 0.402 -9.353 1.00 0.00 C ATOM 450 O HIS B 10 1.271 -0.577 -8.985 1.00 0.00 O ATOM 451 CB HIS B 10 1.634 2.319 -10.649 1.00 0.00 C ATOM 452 CG HIS B 10 2.547 2.429 -11.837 1.00 0.00 C ATOM 453 ND1 HIS B 10 3.788 3.042 -11.762 1.00 0.00 N ATOM 454 CD2 HIS B 10 2.416 2.007 -13.137 1.00 0.00 C ATOM 455 CE1 HIS B 10 4.350 2.969 -12.983 1.00 0.00 C ATOM 456 NE2 HIS B 10 3.556 2.349 -13.858 1.00 0.00 N ATOM 457 H HIS B 10 -0.820 2.296 -11.139 1.00 0.00 H ATOM 458 HA HIS B 10 1.346 0.312 -11.385 1.00 0.00 H ATOM 459 HB2 HIS B 10 0.944 3.148 -10.648 1.00 0.00 H ATOM 460 HB3 HIS B 10 2.216 2.330 -9.748 1.00 0.00 H ATOM 461 HD1 HIS B 10 4.183 3.455 -10.967 1.00 0.00 H ATOM 462 HD2 HIS B 10 1.556 1.491 -13.539 1.00 0.00 H ATOM 463 HE1 HIS B 10 5.327 3.362 -13.224 1.00 0.00 H ATOM 464 N LEU B 11 -0.243 0.964 -8.603 1.00 0.00 N ATOM 465 CA LEU B 11 -0.523 0.405 -7.263 1.00 0.00 C ATOM 466 C LEU B 11 -1.008 -1.020 -7.406 1.00 0.00 C ATOM 467 O LEU B 11 -0.491 -1.922 -6.782 1.00 0.00 O ATOM 468 CB LEU B 11 -1.654 1.238 -6.684 1.00 0.00 C ATOM 469 CG LEU B 11 -1.063 2.410 -5.917 1.00 0.00 C ATOM 470 CD1 LEU B 11 -2.186 3.230 -5.284 1.00 0.00 C ATOM 471 CD2 LEU B 11 -0.155 1.852 -4.826 1.00 0.00 C ATOM 472 H LEU B 11 -0.738 1.747 -8.928 1.00 0.00 H ATOM 473 HA LEU B 11 0.352 0.458 -6.634 1.00 0.00 H ATOM 474 HB2 LEU B 11 -2.290 1.585 -7.480 1.00 0.00 H ATOM 475 HB3 LEU B 11 -2.233 0.629 -6.004 1.00 0.00 H ATOM 476 HG LEU B 11 -0.489 3.033 -6.583 1.00 0.00 H ATOM 477 HD11 LEU B 11 -3.134 2.923 -5.702 1.00 0.00 H ATOM 478 HD12 LEU B 11 -2.193 3.067 -4.218 1.00 0.00 H ATOM 479 HD13 LEU B 11 -2.024 4.277 -5.488 1.00 0.00 H ATOM 480 HD21 LEU B 11 -0.162 0.772 -4.874 1.00 0.00 H ATOM 481 HD22 LEU B 11 0.849 2.212 -4.977 1.00 0.00 H ATOM 482 HD23 LEU B 11 -0.515 2.171 -3.861 1.00 0.00 H ATOM 483 N VAL B 12 -2.011 -1.246 -8.215 1.00 0.00 N ATOM 484 CA VAL B 12 -2.498 -2.621 -8.338 1.00 0.00 C ATOM 485 C VAL B 12 -1.325 -3.524 -8.713 1.00 0.00 C ATOM 486 O VAL B 12 -1.314 -4.696 -8.406 1.00 0.00 O ATOM 487 CB VAL B 12 -3.586 -2.570 -9.415 1.00 0.00 C ATOM 488 CG1 VAL B 12 -3.581 -3.849 -10.250 1.00 0.00 C ATOM 489 CG2 VAL B 12 -4.952 -2.415 -8.742 1.00 0.00 C ATOM 490 H VAL B 12 -2.438 -0.520 -8.730 1.00 0.00 H ATOM 491 HA VAL B 12 -2.921 -2.919 -7.400 1.00 0.00 H ATOM 492 HB VAL B 12 -3.408 -1.727 -10.053 1.00 0.00 H ATOM 493 HG11 VAL B 12 -3.553 -4.705 -9.595 1.00 0.00 H ATOM 494 HG12 VAL B 12 -4.474 -3.884 -10.856 1.00 0.00 H ATOM 495 HG13 VAL B 12 -2.710 -3.855 -10.889 1.00 0.00 H ATOM 496 HG21 VAL B 12 -4.860 -1.766 -7.884 1.00 0.00 H ATOM 497 HG22 VAL B 12 -5.652 -1.987 -9.445 1.00 0.00 H ATOM 498 HG23 VAL B 12 -5.307 -3.384 -8.425 1.00 0.00 H ATOM 499 N GLU B 13 -0.322 -2.981 -9.357 1.00 0.00 N ATOM 500 CA GLU B 13 0.854 -3.821 -9.720 1.00 0.00 C ATOM 501 C GLU B 13 1.937 -3.731 -8.628 1.00 0.00 C ATOM 502 O GLU B 13 2.844 -4.543 -8.573 1.00 0.00 O ATOM 503 CB GLU B 13 1.343 -3.268 -11.075 1.00 0.00 C ATOM 504 CG GLU B 13 2.576 -2.372 -10.900 1.00 0.00 C ATOM 505 CD GLU B 13 3.843 -3.219 -11.018 1.00 0.00 C ATOM 506 OE1 GLU B 13 4.110 -3.701 -12.106 1.00 0.00 O ATOM 507 OE2 GLU B 13 4.524 -3.373 -10.018 1.00 0.00 O ATOM 508 H GLU B 13 -0.340 -2.027 -9.588 1.00 0.00 H ATOM 509 HA GLU B 13 0.545 -4.844 -9.839 1.00 0.00 H ATOM 510 HB2 GLU B 13 1.598 -4.093 -11.722 1.00 0.00 H ATOM 511 HB3 GLU B 13 0.549 -2.694 -11.531 1.00 0.00 H ATOM 512 HG2 GLU B 13 2.578 -1.611 -11.668 1.00 0.00 H ATOM 513 HG3 GLU B 13 2.549 -1.903 -9.930 1.00 0.00 H ATOM 514 N ALA B 14 1.833 -2.776 -7.736 1.00 0.00 N ATOM 515 CA ALA B 14 2.846 -2.665 -6.650 1.00 0.00 C ATOM 516 C ALA B 14 2.257 -3.263 -5.389 1.00 0.00 C ATOM 517 O ALA B 14 2.953 -3.606 -4.454 1.00 0.00 O ATOM 518 CB ALA B 14 3.099 -1.162 -6.474 1.00 0.00 C ATOM 519 H ALA B 14 1.071 -2.152 -7.756 1.00 0.00 H ATOM 520 HA ALA B 14 3.756 -3.176 -6.926 1.00 0.00 H ATOM 521 HB1 ALA B 14 2.217 -0.609 -6.764 1.00 0.00 H ATOM 522 HB2 ALA B 14 3.329 -0.953 -5.438 1.00 0.00 H ATOM 523 HB3 ALA B 14 3.932 -0.861 -7.094 1.00 0.00 H ATOM 524 N LEU B 15 0.967 -3.400 -5.371 1.00 0.00 N ATOM 525 CA LEU B 15 0.293 -3.982 -4.198 1.00 0.00 C ATOM 526 C LEU B 15 0.144 -5.485 -4.428 1.00 0.00 C ATOM 527 O LEU B 15 0.087 -6.266 -3.499 1.00 0.00 O ATOM 528 CB LEU B 15 -1.029 -3.230 -4.181 1.00 0.00 C ATOM 529 CG LEU B 15 -2.170 -4.113 -3.686 1.00 0.00 C ATOM 530 CD1 LEU B 15 -1.742 -4.842 -2.413 1.00 0.00 C ATOM 531 CD2 LEU B 15 -3.391 -3.241 -3.386 1.00 0.00 C ATOM 532 H LEU B 15 0.427 -3.121 -6.147 1.00 0.00 H ATOM 533 HA LEU B 15 0.856 -3.788 -3.299 1.00 0.00 H ATOM 534 HB2 LEU B 15 -0.932 -2.363 -3.562 1.00 0.00 H ATOM 535 HB3 LEU B 15 -1.240 -2.908 -5.168 1.00 0.00 H ATOM 536 HG LEU B 15 -2.422 -4.830 -4.456 1.00 0.00 H ATOM 537 HD11 LEU B 15 -0.730 -4.563 -2.162 1.00 0.00 H ATOM 538 HD12 LEU B 15 -2.402 -4.568 -1.603 1.00 0.00 H ATOM 539 HD13 LEU B 15 -1.792 -5.909 -2.573 1.00 0.00 H ATOM 540 HD21 LEU B 15 -3.532 -2.533 -4.191 1.00 0.00 H ATOM 541 HD22 LEU B 15 -4.267 -3.866 -3.299 1.00 0.00 H ATOM 542 HD23 LEU B 15 -3.234 -2.707 -2.461 1.00 0.00 H ATOM 543 N TYR B 16 0.144 -5.903 -5.667 1.00 0.00 N ATOM 544 CA TYR B 16 0.074 -7.359 -5.946 1.00 0.00 C ATOM 545 C TYR B 16 1.485 -7.913 -5.831 1.00 0.00 C ATOM 546 O TYR B 16 1.712 -8.975 -5.285 1.00 0.00 O ATOM 547 CB TYR B 16 -0.441 -7.497 -7.392 1.00 0.00 C ATOM 548 CG TYR B 16 0.567 -8.248 -8.257 1.00 0.00 C ATOM 549 CD1 TYR B 16 0.735 -9.634 -8.097 1.00 0.00 C ATOM 550 CD2 TYR B 16 1.335 -7.559 -9.208 1.00 0.00 C ATOM 551 CE1 TYR B 16 1.663 -10.325 -8.888 1.00 0.00 C ATOM 552 CE2 TYR B 16 2.263 -8.253 -9.997 1.00 0.00 C ATOM 553 CZ TYR B 16 2.425 -9.635 -9.837 1.00 0.00 C ATOM 554 OH TYR B 16 3.338 -10.316 -10.615 1.00 0.00 O ATOM 555 H TYR B 16 0.238 -5.264 -6.407 1.00 0.00 H ATOM 556 HA TYR B 16 -0.593 -7.853 -5.255 1.00 0.00 H ATOM 557 HB2 TYR B 16 -1.374 -8.035 -7.390 1.00 0.00 H ATOM 558 HB3 TYR B 16 -0.601 -6.519 -7.801 1.00 0.00 H ATOM 559 HD1 TYR B 16 0.154 -10.170 -7.363 1.00 0.00 H ATOM 560 HD2 TYR B 16 1.219 -6.496 -9.329 1.00 0.00 H ATOM 561 HE1 TYR B 16 1.791 -11.389 -8.763 1.00 0.00 H ATOM 562 HE2 TYR B 16 2.851 -7.722 -10.730 1.00 0.00 H ATOM 563 HH TYR B 16 4.164 -9.826 -10.601 1.00 0.00 H ATOM 564 N LEU B 17 2.439 -7.201 -6.372 1.00 0.00 N ATOM 565 CA LEU B 17 3.823 -7.710 -6.314 1.00 0.00 C ATOM 566 C LEU B 17 4.212 -7.746 -4.864 1.00 0.00 C ATOM 567 O LEU B 17 5.031 -8.534 -4.433 1.00 0.00 O ATOM 568 CB LEU B 17 4.703 -6.654 -6.975 1.00 0.00 C ATOM 569 CG LEU B 17 5.631 -7.264 -8.050 1.00 0.00 C ATOM 570 CD1 LEU B 17 5.914 -8.743 -7.767 1.00 0.00 C ATOM 571 CD2 LEU B 17 4.963 -7.136 -9.420 1.00 0.00 C ATOM 572 H LEU B 17 2.237 -6.354 -6.822 1.00 0.00 H ATOM 573 HA LEU B 17 3.903 -8.668 -6.794 1.00 0.00 H ATOM 574 HB2 LEU B 17 4.090 -5.890 -7.377 1.00 0.00 H ATOM 575 HB3 LEU B 17 5.330 -6.210 -6.213 1.00 0.00 H ATOM 576 HG LEU B 17 6.565 -6.722 -8.060 1.00 0.00 H ATOM 577 HD11 LEU B 17 5.990 -8.899 -6.701 1.00 0.00 H ATOM 578 HD12 LEU B 17 5.107 -9.344 -8.161 1.00 0.00 H ATOM 579 HD13 LEU B 17 6.841 -9.030 -8.242 1.00 0.00 H ATOM 580 HD21 LEU B 17 4.009 -6.641 -9.311 1.00 0.00 H ATOM 581 HD22 LEU B 17 5.595 -6.556 -10.077 1.00 0.00 H ATOM 582 HD23 LEU B 17 4.812 -8.118 -9.841 1.00 0.00 H ATOM 583 N VAL B 18 3.656 -6.840 -4.110 1.00 0.00 N ATOM 584 CA VAL B 18 4.031 -6.774 -2.702 1.00 0.00 C ATOM 585 C VAL B 18 3.103 -7.656 -1.860 1.00 0.00 C ATOM 586 O VAL B 18 3.462 -8.124 -0.797 1.00 0.00 O ATOM 587 CB VAL B 18 3.905 -5.293 -2.313 1.00 0.00 C ATOM 588 CG1 VAL B 18 2.466 -4.967 -1.900 1.00 0.00 C ATOM 589 CG2 VAL B 18 4.843 -4.999 -1.140 1.00 0.00 C ATOM 590 H VAL B 18 3.022 -6.190 -4.487 1.00 0.00 H ATOM 591 HA VAL B 18 5.049 -7.083 -2.628 1.00 0.00 H ATOM 592 HB VAL B 18 4.180 -4.678 -3.155 1.00 0.00 H ATOM 593 HG11 VAL B 18 1.779 -5.537 -2.506 1.00 0.00 H ATOM 594 HG12 VAL B 18 2.323 -5.219 -0.859 1.00 0.00 H ATOM 595 HG13 VAL B 18 2.280 -3.911 -2.042 1.00 0.00 H ATOM 596 HG21 VAL B 18 5.792 -5.486 -1.307 1.00 0.00 H ATOM 597 HG22 VAL B 18 4.995 -3.932 -1.060 1.00 0.00 H ATOM 598 HG23 VAL B 18 4.404 -5.370 -0.225 1.00 0.00 H ATOM 599 N CYS B 19 1.901 -7.865 -2.327 1.00 0.00 N ATOM 600 CA CYS B 19 0.930 -8.693 -1.559 1.00 0.00 C ATOM 601 C CYS B 19 -0.118 -9.288 -2.517 1.00 0.00 C ATOM 602 O CYS B 19 -1.299 -9.034 -2.383 1.00 0.00 O ATOM 603 CB CYS B 19 0.273 -7.697 -0.608 1.00 0.00 C ATOM 604 SG CYS B 19 1.317 -7.498 0.853 1.00 0.00 S ATOM 605 H CYS B 19 1.632 -7.462 -3.183 1.00 0.00 H ATOM 606 HA CYS B 19 1.436 -9.462 -0.990 1.00 0.00 H ATOM 607 HB2 CYS B 19 0.163 -6.744 -1.103 1.00 0.00 H ATOM 608 HB3 CYS B 19 -0.697 -8.062 -0.311 1.00 0.00 H ATOM 609 N GLY B 20 0.297 -10.055 -3.497 1.00 0.00 N ATOM 610 CA GLY B 20 -0.681 -10.627 -4.461 1.00 0.00 C ATOM 611 C GLY B 20 -1.296 -11.915 -3.913 1.00 0.00 C ATOM 612 O GLY B 20 -2.425 -11.933 -3.470 1.00 0.00 O ATOM 613 H GLY B 20 1.251 -10.244 -3.612 1.00 0.00 H ATOM 614 HA2 GLY B 20 -1.462 -9.912 -4.640 1.00 0.00 H ATOM 615 HA3 GLY B 20 -0.174 -10.839 -5.387 1.00 0.00 H ATOM 616 N GLU B 21 -0.571 -12.993 -3.955 1.00 0.00 N ATOM 617 CA GLU B 21 -1.123 -14.285 -3.447 1.00 0.00 C ATOM 618 C GLU B 21 -1.820 -14.078 -2.101 1.00 0.00 C ATOM 619 O GLU B 21 -2.697 -14.827 -1.721 1.00 0.00 O ATOM 620 CB GLU B 21 0.089 -15.202 -3.286 1.00 0.00 C ATOM 621 CG GLU B 21 0.287 -16.017 -4.565 1.00 0.00 C ATOM 622 CD GLU B 21 1.374 -17.069 -4.337 1.00 0.00 C ATOM 623 OE1 GLU B 21 1.036 -18.161 -3.912 1.00 0.00 O ATOM 624 OE2 GLU B 21 2.528 -16.764 -4.589 1.00 0.00 O ATOM 625 H GLU B 21 0.330 -12.957 -4.330 1.00 0.00 H ATOM 626 HA GLU B 21 -1.808 -14.703 -4.161 1.00 0.00 H ATOM 627 HB2 GLU B 21 0.969 -14.604 -3.098 1.00 0.00 H ATOM 628 HB3 GLU B 21 -0.075 -15.872 -2.456 1.00 0.00 H ATOM 629 HG2 GLU B 21 -0.640 -16.507 -4.826 1.00 0.00 H ATOM 630 HG3 GLU B 21 0.586 -15.360 -5.368 1.00 0.00 H ATOM 631 N ARG B 22 -1.438 -13.063 -1.379 1.00 0.00 N ATOM 632 CA ARG B 22 -2.079 -12.802 -0.057 1.00 0.00 C ATOM 633 C ARG B 22 -3.418 -12.093 -0.257 1.00 0.00 C ATOM 634 O ARG B 22 -4.236 -12.017 0.638 1.00 0.00 O ATOM 635 CB ARG B 22 -1.103 -11.891 0.686 1.00 0.00 C ATOM 636 CG ARG B 22 0.154 -12.676 1.062 1.00 0.00 C ATOM 637 CD ARG B 22 0.324 -12.660 2.582 1.00 0.00 C ATOM 638 NE ARG B 22 1.726 -13.101 2.821 1.00 0.00 N ATOM 639 CZ ARG B 22 2.648 -12.221 3.100 1.00 0.00 C ATOM 640 NH1 ARG B 22 2.844 -11.206 2.304 1.00 0.00 N ATOM 641 NH2 ARG B 22 3.374 -12.355 4.176 1.00 0.00 N ATOM 642 H ARG B 22 -0.731 -12.473 -1.709 1.00 0.00 H ATOM 643 HA ARG B 22 -2.215 -13.723 0.487 1.00 0.00 H ATOM 644 HB2 ARG B 22 -0.835 -11.062 0.050 1.00 0.00 H ATOM 645 HB3 ARG B 22 -1.573 -11.517 1.583 1.00 0.00 H ATOM 646 HG2 ARG B 22 0.059 -13.696 0.719 1.00 0.00 H ATOM 647 HG3 ARG B 22 1.016 -12.219 0.602 1.00 0.00 H ATOM 648 HD2 ARG B 22 0.170 -11.661 2.965 1.00 0.00 H ATOM 649 HD3 ARG B 22 -0.365 -13.351 3.042 1.00 0.00 H ATOM 650 HE ARG B 22 1.956 -14.053 2.770 1.00 0.00 H ATOM 651 HH11 ARG B 22 2.289 -11.103 1.479 1.00 0.00 H ATOM 652 HH12 ARG B 22 3.548 -10.529 2.521 1.00 0.00 H ATOM 653 HH21 ARG B 22 3.223 -13.133 4.787 1.00 0.00 H ATOM 654 HH22 ARG B 22 4.080 -11.680 4.391 1.00 0.00 H ATOM 655 N GLY B 23 -3.639 -11.570 -1.428 1.00 0.00 N ATOM 656 CA GLY B 23 -4.917 -10.856 -1.701 1.00 0.00 C ATOM 657 C GLY B 23 -4.953 -9.562 -0.892 1.00 0.00 C ATOM 658 O GLY B 23 -4.115 -9.327 -0.042 1.00 0.00 O ATOM 659 H GLY B 23 -2.960 -11.644 -2.128 1.00 0.00 H ATOM 660 HA2 GLY B 23 -4.982 -10.627 -2.755 1.00 0.00 H ATOM 661 HA3 GLY B 23 -5.749 -11.480 -1.414 1.00 0.00 H ATOM 662 N PHE B 24 -5.913 -8.719 -1.142 1.00 0.00 N ATOM 663 CA PHE B 24 -5.997 -7.445 -0.379 1.00 0.00 C ATOM 664 C PHE B 24 -7.314 -6.733 -0.665 1.00 0.00 C ATOM 665 O PHE B 24 -8.227 -7.288 -1.240 1.00 0.00 O ATOM 666 CB PHE B 24 -4.829 -6.594 -0.875 1.00 0.00 C ATOM 667 CG PHE B 24 -4.895 -6.475 -2.376 1.00 0.00 C ATOM 668 CD1 PHE B 24 -5.921 -5.729 -2.973 1.00 0.00 C ATOM 669 CD2 PHE B 24 -3.932 -7.106 -3.172 1.00 0.00 C ATOM 670 CE1 PHE B 24 -5.982 -5.614 -4.367 1.00 0.00 C ATOM 671 CE2 PHE B 24 -3.993 -6.990 -4.565 1.00 0.00 C ATOM 672 CZ PHE B 24 -5.017 -6.244 -5.164 1.00 0.00 C ATOM 673 H PHE B 24 -6.582 -8.925 -1.828 1.00 0.00 H ATOM 674 HA PHE B 24 -5.893 -7.631 0.677 1.00 0.00 H ATOM 675 HB2 PHE B 24 -4.891 -5.609 -0.439 1.00 0.00 H ATOM 676 HB3 PHE B 24 -3.900 -7.056 -0.590 1.00 0.00 H ATOM 677 HD1 PHE B 24 -6.664 -5.244 -2.358 1.00 0.00 H ATOM 678 HD2 PHE B 24 -3.142 -7.680 -2.710 1.00 0.00 H ATOM 679 HE1 PHE B 24 -6.771 -5.039 -4.828 1.00 0.00 H ATOM 680 HE2 PHE B 24 -3.250 -7.475 -5.178 1.00 0.00 H ATOM 681 HZ PHE B 24 -5.062 -6.156 -6.239 1.00 0.00 H ATOM 682 N PHE B 25 -7.405 -5.501 -0.265 1.00 0.00 N ATOM 683 CA PHE B 25 -8.657 -4.729 -0.507 1.00 0.00 C ATOM 684 C PHE B 25 -8.375 -3.232 -0.390 1.00 0.00 C ATOM 685 O PHE B 25 -8.449 -2.659 0.680 1.00 0.00 O ATOM 686 CB PHE B 25 -9.620 -5.187 0.588 1.00 0.00 C ATOM 687 CG PHE B 25 -11.025 -4.750 0.246 1.00 0.00 C ATOM 688 CD1 PHE B 25 -11.622 -5.176 -0.947 1.00 0.00 C ATOM 689 CD2 PHE B 25 -11.732 -3.919 1.126 1.00 0.00 C ATOM 690 CE1 PHE B 25 -12.928 -4.772 -1.261 1.00 0.00 C ATOM 691 CE2 PHE B 25 -13.035 -3.515 0.813 1.00 0.00 C ATOM 692 CZ PHE B 25 -13.634 -3.940 -0.380 1.00 0.00 C ATOM 693 H PHE B 25 -6.648 -5.082 0.191 1.00 0.00 H ATOM 694 HA PHE B 25 -9.063 -4.962 -1.478 1.00 0.00 H ATOM 695 HB2 PHE B 25 -9.588 -6.264 0.665 1.00 0.00 H ATOM 696 HB3 PHE B 25 -9.328 -4.750 1.531 1.00 0.00 H ATOM 697 HD1 PHE B 25 -11.079 -5.816 -1.627 1.00 0.00 H ATOM 698 HD2 PHE B 25 -11.270 -3.591 2.045 1.00 0.00 H ATOM 699 HE1 PHE B 25 -13.389 -5.099 -2.181 1.00 0.00 H ATOM 700 HE2 PHE B 25 -13.580 -2.874 1.491 1.00 0.00 H ATOM 701 HZ PHE B 25 -14.640 -3.630 -0.622 1.00 0.00 H ATOM 702 N TYR B 26 -8.047 -2.589 -1.476 1.00 0.00 N ATOM 703 CA TYR B 26 -7.758 -1.130 -1.411 1.00 0.00 C ATOM 704 C TYR B 26 -8.728 -0.352 -2.314 1.00 0.00 C ATOM 705 O TYR B 26 -8.724 -0.490 -3.521 1.00 0.00 O ATOM 706 CB TYR B 26 -6.291 -0.999 -1.868 1.00 0.00 C ATOM 707 CG TYR B 26 -6.204 -0.623 -3.332 1.00 0.00 C ATOM 708 CD1 TYR B 26 -6.297 -1.612 -4.322 1.00 0.00 C ATOM 709 CD2 TYR B 26 -6.032 0.719 -3.698 1.00 0.00 C ATOM 710 CE1 TYR B 26 -6.217 -1.256 -5.676 1.00 0.00 C ATOM 711 CE2 TYR B 26 -5.952 1.073 -5.050 1.00 0.00 C ATOM 712 CZ TYR B 26 -6.044 0.085 -6.039 1.00 0.00 C ATOM 713 OH TYR B 26 -5.964 0.434 -7.372 1.00 0.00 O ATOM 714 H TYR B 26 -7.988 -3.065 -2.331 1.00 0.00 H ATOM 715 HA TYR B 26 -7.850 -0.785 -0.392 1.00 0.00 H ATOM 716 HB2 TYR B 26 -5.802 -0.240 -1.277 1.00 0.00 H ATOM 717 HB3 TYR B 26 -5.788 -1.943 -1.715 1.00 0.00 H ATOM 718 HD1 TYR B 26 -6.430 -2.646 -4.042 1.00 0.00 H ATOM 719 HD2 TYR B 26 -5.960 1.480 -2.937 1.00 0.00 H ATOM 720 HE1 TYR B 26 -6.288 -2.018 -6.438 1.00 0.00 H ATOM 721 HE2 TYR B 26 -5.819 2.107 -5.330 1.00 0.00 H ATOM 722 HH TYR B 26 -6.493 -0.191 -7.875 1.00 0.00 H ATOM 723 N THR B 27 -9.569 0.460 -1.732 1.00 0.00 N ATOM 724 CA THR B 27 -10.538 1.239 -2.554 1.00 0.00 C ATOM 725 C THR B 27 -10.936 2.537 -1.840 1.00 0.00 C ATOM 726 O THR B 27 -12.094 2.906 -1.842 1.00 0.00 O ATOM 727 CB THR B 27 -11.752 0.320 -2.699 1.00 0.00 C ATOM 728 OG1 THR B 27 -12.141 -0.146 -1.414 1.00 0.00 O ATOM 729 CG2 THR B 27 -11.392 -0.872 -3.588 1.00 0.00 C ATOM 730 H THR B 27 -9.569 0.551 -0.757 1.00 0.00 H ATOM 731 HA THR B 27 -10.124 1.453 -3.527 1.00 0.00 H ATOM 732 HB THR B 27 -12.567 0.865 -3.146 1.00 0.00 H ATOM 733 HG1 THR B 27 -13.019 -0.529 -1.491 1.00 0.00 H ATOM 734 HG21 THR B 27 -10.873 -0.521 -4.467 1.00 0.00 H ATOM 735 HG22 THR B 27 -10.754 -1.552 -3.041 1.00 0.00 H ATOM 736 HG23 THR B 27 -12.295 -1.385 -3.884 1.00 0.00 H ATOM 737 N PRO B 28 -9.968 3.197 -1.249 1.00 0.00 N ATOM 738 CA PRO B 28 -10.251 4.465 -0.535 1.00 0.00 C ATOM 739 C PRO B 28 -10.513 5.590 -1.533 1.00 0.00 C ATOM 740 O PRO B 28 -10.090 5.537 -2.672 1.00 0.00 O ATOM 741 CB PRO B 28 -8.973 4.734 0.249 1.00 0.00 C ATOM 742 CG PRO B 28 -7.904 4.024 -0.509 1.00 0.00 C ATOM 743 CD PRO B 28 -8.545 2.840 -1.185 1.00 0.00 C ATOM 744 HA PRO B 28 -11.084 4.348 0.140 1.00 0.00 H ATOM 745 HB2 PRO B 28 -8.766 5.795 0.286 1.00 0.00 H ATOM 746 HB3 PRO B 28 -9.049 4.328 1.245 1.00 0.00 H ATOM 747 HG2 PRO B 28 -7.472 4.686 -1.247 1.00 0.00 H ATOM 748 HG3 PRO B 28 -7.147 3.688 0.171 1.00 0.00 H ATOM 749 HD2 PRO B 28 -8.137 2.704 -2.177 1.00 0.00 H ATOM 750 HD3 PRO B 28 -8.408 1.950 -0.592 1.00 0.00 H ATOM 751 N LYS B 29 -11.203 6.606 -1.112 1.00 0.00 N ATOM 752 CA LYS B 29 -11.497 7.745 -2.029 1.00 0.00 C ATOM 753 C LYS B 29 -11.783 9.013 -1.225 1.00 0.00 C ATOM 754 O LYS B 29 -12.882 9.532 -1.233 1.00 0.00 O ATOM 755 CB LYS B 29 -12.738 7.314 -2.801 1.00 0.00 C ATOM 756 CG LYS B 29 -12.329 6.810 -4.188 1.00 0.00 C ATOM 757 CD LYS B 29 -11.859 7.991 -5.037 1.00 0.00 C ATOM 758 CE LYS B 29 -11.677 7.536 -6.487 1.00 0.00 C ATOM 759 NZ LYS B 29 -12.885 8.031 -7.203 1.00 0.00 N ATOM 760 H LYS B 29 -11.528 6.618 -0.187 1.00 0.00 H ATOM 761 HA LYS B 29 -10.676 7.904 -2.709 1.00 0.00 H ATOM 762 HB2 LYS B 29 -13.232 6.524 -2.259 1.00 0.00 H ATOM 763 HB3 LYS B 29 -13.407 8.153 -2.907 1.00 0.00 H ATOM 764 HG2 LYS B 29 -11.528 6.094 -4.089 1.00 0.00 H ATOM 765 HG3 LYS B 29 -13.177 6.340 -4.665 1.00 0.00 H ATOM 766 HD2 LYS B 29 -12.594 8.780 -4.995 1.00 0.00 H ATOM 767 HD3 LYS B 29 -10.917 8.355 -4.656 1.00 0.00 H ATOM 768 HE2 LYS B 29 -10.782 7.974 -6.907 1.00 0.00 H ATOM 769 HE3 LYS B 29 -11.632 6.459 -6.540 1.00 0.00 H ATOM 770 HZ1 LYS B 29 -13.661 8.164 -6.525 1.00 0.00 H ATOM 771 HZ2 LYS B 29 -12.667 8.939 -7.665 1.00 0.00 H ATOM 772 HZ3 LYS B 29 -13.171 7.337 -7.921 1.00 0.00 H ATOM 773 N THR B 30 -10.803 9.513 -0.531 1.00 0.00 N ATOM 774 CA THR B 30 -11.011 10.749 0.277 1.00 0.00 C ATOM 775 C THR B 30 -10.576 11.982 -0.522 1.00 0.00 C ATOM 776 O THR B 30 -10.589 13.063 0.042 1.00 0.00 O ATOM 777 CB THR B 30 -10.128 10.572 1.516 1.00 0.00 C ATOM 778 OG1 THR B 30 -9.416 9.345 1.425 1.00 0.00 O ATOM 779 CG2 THR B 30 -11.005 10.564 2.770 1.00 0.00 C ATOM 780 OXT THR B 30 -10.239 11.821 -1.683 1.00 0.00 O ATOM 781 H THR B 30 -9.928 9.076 -0.543 1.00 0.00 H ATOM 782 HA THR B 30 -12.046 10.837 0.571 1.00 0.00 H ATOM 783 HB THR B 30 -9.429 11.391 1.580 1.00 0.00 H ATOM 784 HG1 THR B 30 -8.485 9.531 1.558 1.00 0.00 H ATOM 785 HG21 THR B 30 -11.811 9.856 2.641 1.00 0.00 H ATOM 786 HG22 THR B 30 -10.409 10.280 3.626 1.00 0.00 H ATOM 787 HG23 THR B 30 -11.417 11.550 2.928 1.00 0.00 H TER 788 THR B 30 ENDMDL MODEL 2 ATOM 1 N GLY A 1 -7.168 3.533 1.724 1.00 0.00 N ATOM 2 CA GLY A 1 -7.199 4.064 0.331 1.00 0.00 C ATOM 3 C GLY A 1 -5.818 4.605 -0.043 1.00 0.00 C ATOM 4 O GLY A 1 -5.515 5.762 0.171 1.00 0.00 O ATOM 5 H1 GLY A 1 -6.201 3.607 2.100 1.00 0.00 H ATOM 6 H2 GLY A 1 -7.817 4.084 2.320 1.00 0.00 H ATOM 7 H3 GLY A 1 -7.465 2.537 1.722 1.00 0.00 H ATOM 8 HA2 GLY A 1 -7.473 3.269 -0.349 1.00 0.00 H ATOM 9 HA3 GLY A 1 -7.924 4.860 0.265 1.00 0.00 H ATOM 10 N ILE A 2 -4.979 3.776 -0.602 1.00 0.00 N ATOM 11 CA ILE A 2 -3.615 4.239 -0.995 1.00 0.00 C ATOM 12 C ILE A 2 -3.645 4.787 -2.427 1.00 0.00 C ATOM 13 O ILE A 2 -2.707 4.645 -3.181 1.00 0.00 O ATOM 14 CB ILE A 2 -2.738 2.984 -0.883 1.00 0.00 C ATOM 15 CG1 ILE A 2 -1.270 3.322 -1.156 1.00 0.00 C ATOM 16 CG2 ILE A 2 -3.216 1.928 -1.869 1.00 0.00 C ATOM 17 CD1 ILE A 2 -0.648 3.934 0.100 1.00 0.00 C ATOM 18 H ILE A 2 -5.245 2.847 -0.768 1.00 0.00 H ATOM 19 HA ILE A 2 -3.265 4.995 -0.310 1.00 0.00 H ATOM 20 HB ILE A 2 -2.826 2.587 0.105 1.00 0.00 H ATOM 21 HG12 ILE A 2 -0.737 2.418 -1.417 1.00 0.00 H ATOM 22 HG13 ILE A 2 -1.201 4.023 -1.965 1.00 0.00 H ATOM 23 HG21 ILE A 2 -3.701 2.408 -2.703 1.00 0.00 H ATOM 24 HG22 ILE A 2 -2.370 1.356 -2.217 1.00 0.00 H ATOM 25 HG23 ILE A 2 -3.916 1.270 -1.372 1.00 0.00 H ATOM 26 HD11 ILE A 2 -0.929 3.349 0.963 1.00 0.00 H ATOM 27 HD12 ILE A 2 0.428 3.939 0.003 1.00 0.00 H ATOM 28 HD13 ILE A 2 -1.004 4.947 0.221 1.00 0.00 H ATOM 29 N VAL A 3 -4.723 5.421 -2.807 1.00 0.00 N ATOM 30 CA VAL A 3 -4.811 5.983 -4.188 1.00 0.00 C ATOM 31 C VAL A 3 -4.344 7.439 -4.191 1.00 0.00 C ATOM 32 O VAL A 3 -4.131 8.032 -5.230 1.00 0.00 O ATOM 33 CB VAL A 3 -6.291 5.892 -4.561 1.00 0.00 C ATOM 34 CG1 VAL A 3 -6.709 4.423 -4.630 1.00 0.00 C ATOM 35 CG2 VAL A 3 -7.128 6.613 -3.502 1.00 0.00 C ATOM 36 H VAL A 3 -5.471 5.532 -2.184 1.00 0.00 H ATOM 37 HA VAL A 3 -4.221 5.398 -4.874 1.00 0.00 H ATOM 38 HB VAL A 3 -6.448 6.355 -5.524 1.00 0.00 H ATOM 39 HG11 VAL A 3 -5.872 3.825 -4.959 1.00 0.00 H ATOM 40 HG12 VAL A 3 -7.025 4.092 -3.652 1.00 0.00 H ATOM 41 HG13 VAL A 3 -7.525 4.314 -5.328 1.00 0.00 H ATOM 42 HG21 VAL A 3 -6.472 7.107 -2.800 1.00 0.00 H ATOM 43 HG22 VAL A 3 -7.760 7.346 -3.981 1.00 0.00 H ATOM 44 HG23 VAL A 3 -7.742 5.896 -2.977 1.00 0.00 H ATOM 45 N GLU A 4 -4.182 8.016 -3.036 1.00 0.00 N ATOM 46 CA GLU A 4 -3.723 9.432 -2.966 1.00 0.00 C ATOM 47 C GLU A 4 -2.265 9.489 -2.506 1.00 0.00 C ATOM 48 O GLU A 4 -1.622 10.517 -2.573 1.00 0.00 O ATOM 49 CB GLU A 4 -4.656 10.112 -1.952 1.00 0.00 C ATOM 50 CG GLU A 4 -4.184 9.852 -0.513 1.00 0.00 C ATOM 51 CD GLU A 4 -4.508 8.412 -0.111 1.00 0.00 C ATOM 52 OE1 GLU A 4 -3.834 7.517 -0.598 1.00 0.00 O ATOM 53 OE2 GLU A 4 -5.423 8.227 0.674 1.00 0.00 O ATOM 54 H GLU A 4 -4.356 7.515 -2.215 1.00 0.00 H ATOM 55 HA GLU A 4 -3.827 9.904 -3.930 1.00 0.00 H ATOM 56 HB2 GLU A 4 -4.664 11.176 -2.135 1.00 0.00 H ATOM 57 HB3 GLU A 4 -5.656 9.722 -2.073 1.00 0.00 H ATOM 58 HG2 GLU A 4 -3.120 10.017 -0.441 1.00 0.00 H ATOM 59 HG3 GLU A 4 -4.694 10.526 0.155 1.00 0.00 H ATOM 60 N GLN A 5 -1.744 8.396 -2.023 1.00 0.00 N ATOM 61 CA GLN A 5 -0.334 8.399 -1.545 1.00 0.00 C ATOM 62 C GLN A 5 0.649 8.015 -2.677 1.00 0.00 C ATOM 63 O GLN A 5 1.394 8.851 -3.147 1.00 0.00 O ATOM 64 CB GLN A 5 -0.319 7.412 -0.355 1.00 0.00 C ATOM 65 CG GLN A 5 0.937 6.533 -0.381 1.00 0.00 C ATOM 66 CD GLN A 5 1.379 6.235 1.052 1.00 0.00 C ATOM 67 OE1 GLN A 5 1.161 5.151 1.557 1.00 0.00 O ATOM 68 NE2 GLN A 5 1.998 7.159 1.734 1.00 0.00 N ATOM 69 H GLN A 5 -2.283 7.581 -1.963 1.00 0.00 H ATOM 70 HA GLN A 5 -0.086 9.385 -1.183 1.00 0.00 H ATOM 71 HB2 GLN A 5 -0.327 7.981 0.564 1.00 0.00 H ATOM 72 HB3 GLN A 5 -1.203 6.788 -0.383 1.00 0.00 H ATOM 73 HG2 GLN A 5 0.720 5.606 -0.893 1.00 0.00 H ATOM 74 HG3 GLN A 5 1.731 7.052 -0.895 1.00 0.00 H ATOM 75 HE21 GLN A 5 2.174 8.032 1.326 1.00 0.00 H ATOM 76 HE22 GLN A 5 2.285 6.981 2.653 1.00 0.00 H ATOM 77 N CYS A 6 0.691 6.777 -3.115 1.00 0.00 N ATOM 78 CA CYS A 6 1.671 6.429 -4.193 1.00 0.00 C ATOM 79 C CYS A 6 1.376 7.175 -5.498 1.00 0.00 C ATOM 80 O CYS A 6 2.227 7.287 -6.330 1.00 0.00 O ATOM 81 CB CYS A 6 1.615 4.901 -4.420 1.00 0.00 C ATOM 82 SG CYS A 6 1.335 4.020 -2.874 1.00 0.00 S ATOM 83 H CYS A 6 0.111 6.094 -2.735 1.00 0.00 H ATOM 84 HA CYS A 6 2.663 6.696 -3.866 1.00 0.00 H ATOM 85 HB2 CYS A 6 0.842 4.650 -5.124 1.00 0.00 H ATOM 86 HB3 CYS A 6 2.565 4.582 -4.824 1.00 0.00 H ATOM 87 N CYS A 7 0.215 7.696 -5.718 1.00 0.00 N ATOM 88 CA CYS A 7 0.016 8.412 -7.017 1.00 0.00 C ATOM 89 C CYS A 7 0.443 9.863 -6.869 1.00 0.00 C ATOM 90 O CYS A 7 1.243 10.377 -7.624 1.00 0.00 O ATOM 91 CB CYS A 7 -1.475 8.332 -7.298 1.00 0.00 C ATOM 92 SG CYS A 7 -1.841 8.912 -8.972 1.00 0.00 S ATOM 93 H CYS A 7 -0.507 7.634 -5.055 1.00 0.00 H ATOM 94 HA CYS A 7 0.580 7.929 -7.801 1.00 0.00 H ATOM 95 HB2 CYS A 7 -1.808 7.323 -7.183 1.00 0.00 H ATOM 96 HB3 CYS A 7 -1.982 8.948 -6.600 1.00 0.00 H ATOM 97 N THR A 8 -0.089 10.520 -5.887 1.00 0.00 N ATOM 98 CA THR A 8 0.273 11.943 -5.652 1.00 0.00 C ATOM 99 C THR A 8 1.527 12.024 -4.773 1.00 0.00 C ATOM 100 O THR A 8 1.769 13.012 -4.108 1.00 0.00 O ATOM 101 CB THR A 8 -0.938 12.521 -4.925 1.00 0.00 C ATOM 102 OG1 THR A 8 -2.035 12.599 -5.824 1.00 0.00 O ATOM 103 CG2 THR A 8 -0.605 13.916 -4.398 1.00 0.00 C ATOM 104 H THR A 8 -0.729 10.072 -5.294 1.00 0.00 H ATOM 105 HA THR A 8 0.425 12.457 -6.588 1.00 0.00 H ATOM 106 HB THR A 8 -1.195 11.876 -4.098 1.00 0.00 H ATOM 107 HG1 THR A 8 -2.553 13.373 -5.593 1.00 0.00 H ATOM 108 HG21 THR A 8 0.005 14.437 -5.122 1.00 0.00 H ATOM 109 HG22 THR A 8 -1.520 14.468 -4.235 1.00 0.00 H ATOM 110 HG23 THR A 8 -0.065 13.831 -3.467 1.00 0.00 H ATOM 111 N SER A 9 2.330 10.990 -4.770 1.00 0.00 N ATOM 112 CA SER A 9 3.569 10.997 -3.940 1.00 0.00 C ATOM 113 C SER A 9 4.291 9.652 -4.072 1.00 0.00 C ATOM 114 O SER A 9 4.031 8.884 -4.977 1.00 0.00 O ATOM 115 CB SER A 9 3.097 11.217 -2.501 1.00 0.00 C ATOM 116 OG SER A 9 4.215 11.143 -1.627 1.00 0.00 O ATOM 117 H SER A 9 2.119 10.205 -5.319 1.00 0.00 H ATOM 118 HA SER A 9 4.218 11.804 -4.241 1.00 0.00 H ATOM 119 HB2 SER A 9 2.644 12.188 -2.412 1.00 0.00 H ATOM 120 HB3 SER A 9 2.373 10.457 -2.240 1.00 0.00 H ATOM 121 HG SER A 9 4.445 12.039 -1.364 1.00 0.00 H ATOM 122 N ILE A 10 5.200 9.363 -3.184 1.00 0.00 N ATOM 123 CA ILE A 10 5.940 8.073 -3.271 1.00 0.00 C ATOM 124 C ILE A 10 5.717 7.236 -2.011 1.00 0.00 C ATOM 125 O ILE A 10 5.991 7.671 -0.909 1.00 0.00 O ATOM 126 CB ILE A 10 7.407 8.471 -3.377 1.00 0.00 C ATOM 127 CG1 ILE A 10 7.644 9.222 -4.688 1.00 0.00 C ATOM 128 CG2 ILE A 10 8.276 7.215 -3.341 1.00 0.00 C ATOM 129 CD1 ILE A 10 8.238 10.599 -4.382 1.00 0.00 C ATOM 130 H ILE A 10 5.402 9.995 -2.466 1.00 0.00 H ATOM 131 HA ILE A 10 5.642 7.523 -4.151 1.00 0.00 H ATOM 132 HB ILE A 10 7.663 9.107 -2.543 1.00 0.00 H ATOM 133 HG12 ILE A 10 8.330 8.661 -5.305 1.00 0.00 H ATOM 134 HG13 ILE A 10 6.706 9.345 -5.210 1.00 0.00 H ATOM 135 HG21 ILE A 10 8.075 6.666 -2.434 1.00 0.00 H ATOM 136 HG22 ILE A 10 8.047 6.596 -4.195 1.00 0.00 H ATOM 137 HG23 ILE A 10 9.318 7.497 -3.368 1.00 0.00 H ATOM 138 HD11 ILE A 10 7.628 11.098 -3.645 1.00 0.00 H ATOM 139 HD12 ILE A 10 9.241 10.481 -4.000 1.00 0.00 H ATOM 140 HD13 ILE A 10 8.266 11.188 -5.287 1.00 0.00 H ATOM 141 N CYS A 11 5.241 6.033 -2.164 1.00 0.00 N ATOM 142 CA CYS A 11 5.022 5.161 -0.967 1.00 0.00 C ATOM 143 C CYS A 11 5.916 3.919 -1.073 1.00 0.00 C ATOM 144 O CYS A 11 6.308 3.524 -2.152 1.00 0.00 O ATOM 145 CB CYS A 11 3.532 4.797 -0.993 1.00 0.00 C ATOM 146 SG CYS A 11 3.209 3.582 -2.290 1.00 0.00 S ATOM 147 H CYS A 11 5.040 5.699 -3.063 1.00 0.00 H ATOM 148 HA CYS A 11 5.250 5.707 -0.063 1.00 0.00 H ATOM 149 HB2 CYS A 11 3.237 4.389 -0.043 1.00 0.00 H ATOM 150 HB3 CYS A 11 2.956 5.684 -1.185 1.00 0.00 H ATOM 151 N SER A 12 6.270 3.315 0.034 1.00 0.00 N ATOM 152 CA SER A 12 7.170 2.122 -0.035 1.00 0.00 C ATOM 153 C SER A 12 6.421 0.807 0.094 1.00 0.00 C ATOM 154 O SER A 12 5.210 0.748 0.159 1.00 0.00 O ATOM 155 CB SER A 12 8.143 2.263 1.125 1.00 0.00 C ATOM 156 OG SER A 12 7.637 3.203 2.062 1.00 0.00 O ATOM 157 H SER A 12 5.966 3.654 0.903 1.00 0.00 H ATOM 158 HA SER A 12 7.722 2.136 -0.961 1.00 0.00 H ATOM 159 HB2 SER A 12 8.253 1.308 1.615 1.00 0.00 H ATOM 160 HB3 SER A 12 9.101 2.574 0.749 1.00 0.00 H ATOM 161 HG SER A 12 8.227 3.960 2.072 1.00 0.00 H ATOM 162 N LEU A 13 7.174 -0.255 0.135 1.00 0.00 N ATOM 163 CA LEU A 13 6.568 -1.613 0.252 1.00 0.00 C ATOM 164 C LEU A 13 6.022 -1.834 1.661 1.00 0.00 C ATOM 165 O LEU A 13 5.074 -2.568 1.859 1.00 0.00 O ATOM 166 CB LEU A 13 7.711 -2.587 -0.065 1.00 0.00 C ATOM 167 CG LEU A 13 7.394 -3.970 0.510 1.00 0.00 C ATOM 168 CD1 LEU A 13 8.065 -5.045 -0.345 1.00 0.00 C ATOM 169 CD2 LEU A 13 7.922 -4.056 1.943 1.00 0.00 C ATOM 170 H LEU A 13 8.152 -0.150 0.086 1.00 0.00 H ATOM 171 HA LEU A 13 5.779 -1.726 -0.466 1.00 0.00 H ATOM 172 HB2 LEU A 13 7.827 -2.663 -1.136 1.00 0.00 H ATOM 173 HB3 LEU A 13 8.630 -2.221 0.368 1.00 0.00 H ATOM 174 HG LEU A 13 6.324 -4.123 0.508 1.00 0.00 H ATOM 175 HD11 LEU A 13 8.552 -4.581 -1.191 1.00 0.00 H ATOM 176 HD12 LEU A 13 8.798 -5.571 0.249 1.00 0.00 H ATOM 177 HD13 LEU A 13 7.319 -5.743 -0.696 1.00 0.00 H ATOM 178 HD21 LEU A 13 8.818 -3.460 2.034 1.00 0.00 H ATOM 179 HD22 LEU A 13 7.173 -3.685 2.627 1.00 0.00 H ATOM 180 HD23 LEU A 13 8.149 -5.085 2.181 1.00 0.00 H ATOM 181 N TYR A 14 6.589 -1.194 2.637 1.00 0.00 N ATOM 182 CA TYR A 14 6.068 -1.360 4.016 1.00 0.00 C ATOM 183 C TYR A 14 4.909 -0.392 4.206 1.00 0.00 C ATOM 184 O TYR A 14 4.015 -0.616 4.999 1.00 0.00 O ATOM 185 CB TYR A 14 7.222 -1.020 4.954 1.00 0.00 C ATOM 186 CG TYR A 14 6.868 -1.482 6.346 1.00 0.00 C ATOM 187 CD1 TYR A 14 6.076 -0.673 7.171 1.00 0.00 C ATOM 188 CD2 TYR A 14 7.328 -2.720 6.813 1.00 0.00 C ATOM 189 CE1 TYR A 14 5.745 -1.100 8.464 1.00 0.00 C ATOM 190 CE2 TYR A 14 6.997 -3.149 8.105 1.00 0.00 C ATOM 191 CZ TYR A 14 6.206 -2.339 8.933 1.00 0.00 C ATOM 192 OH TYR A 14 5.880 -2.762 10.205 1.00 0.00 O ATOM 193 H TYR A 14 7.334 -0.590 2.459 1.00 0.00 H ATOM 194 HA TYR A 14 5.746 -2.377 4.175 1.00 0.00 H ATOM 195 HB2 TYR A 14 8.119 -1.520 4.621 1.00 0.00 H ATOM 196 HB3 TYR A 14 7.381 0.047 4.958 1.00 0.00 H ATOM 197 HD1 TYR A 14 5.719 0.281 6.809 1.00 0.00 H ATOM 198 HD2 TYR A 14 7.935 -3.348 6.175 1.00 0.00 H ATOM 199 HE1 TYR A 14 5.135 -0.476 9.102 1.00 0.00 H ATOM 200 HE2 TYR A 14 7.352 -4.104 8.465 1.00 0.00 H ATOM 201 HH TYR A 14 5.141 -2.234 10.514 1.00 0.00 H ATOM 202 N GLN A 15 4.905 0.676 3.454 1.00 0.00 N ATOM 203 CA GLN A 15 3.787 1.647 3.561 1.00 0.00 C ATOM 204 C GLN A 15 2.576 1.042 2.859 1.00 0.00 C ATOM 205 O GLN A 15 1.467 1.080 3.359 1.00 0.00 O ATOM 206 CB GLN A 15 4.279 2.913 2.853 1.00 0.00 C ATOM 207 CG GLN A 15 4.481 4.024 3.886 1.00 0.00 C ATOM 208 CD GLN A 15 4.981 5.288 3.185 1.00 0.00 C ATOM 209 OE1 GLN A 15 4.422 5.706 2.189 1.00 0.00 O ATOM 210 NE2 GLN A 15 6.018 5.921 3.663 1.00 0.00 N ATOM 211 H GLN A 15 5.622 0.823 2.800 1.00 0.00 H ATOM 212 HA GLN A 15 3.564 1.855 4.596 1.00 0.00 H ATOM 213 HB2 GLN A 15 5.219 2.709 2.360 1.00 0.00 H ATOM 214 HB3 GLN A 15 3.551 3.232 2.124 1.00 0.00 H ATOM 215 HG2 GLN A 15 3.543 4.230 4.381 1.00 0.00 H ATOM 216 HG3 GLN A 15 5.211 3.708 4.616 1.00 0.00 H ATOM 217 HE21 GLN A 15 6.469 5.585 4.465 1.00 0.00 H ATOM 218 HE22 GLN A 15 6.346 6.731 3.219 1.00 0.00 H ATOM 219 N LEU A 16 2.793 0.431 1.725 1.00 0.00 N ATOM 220 CA LEU A 16 1.671 -0.227 1.013 1.00 0.00 C ATOM 221 C LEU A 16 1.329 -1.519 1.753 1.00 0.00 C ATOM 222 O LEU A 16 0.270 -2.092 1.591 1.00 0.00 O ATOM 223 CB LEU A 16 2.212 -0.518 -0.385 1.00 0.00 C ATOM 224 CG LEU A 16 1.050 -0.712 -1.353 1.00 0.00 C ATOM 225 CD1 LEU A 16 0.821 0.575 -2.147 1.00 0.00 C ATOM 226 CD2 LEU A 16 1.386 -1.847 -2.315 1.00 0.00 C ATOM 227 H LEU A 16 3.704 0.371 1.361 1.00 0.00 H ATOM 228 HA LEU A 16 0.816 0.425 0.961 1.00 0.00 H ATOM 229 HB2 LEU A 16 2.823 0.311 -0.714 1.00 0.00 H ATOM 230 HB3 LEU A 16 2.809 -1.418 -0.359 1.00 0.00 H ATOM 231 HG LEU A 16 0.155 -0.959 -0.799 1.00 0.00 H ATOM 232 HD11 LEU A 16 0.949 1.427 -1.498 1.00 0.00 H ATOM 233 HD12 LEU A 16 1.535 0.628 -2.957 1.00 0.00 H ATOM 234 HD13 LEU A 16 -0.180 0.577 -2.551 1.00 0.00 H ATOM 235 HD21 LEU A 16 2.449 -2.038 -2.287 1.00 0.00 H ATOM 236 HD22 LEU A 16 0.853 -2.738 -2.019 1.00 0.00 H ATOM 237 HD23 LEU A 16 1.098 -1.570 -3.318 1.00 0.00 H ATOM 238 N GLU A 17 2.230 -1.967 2.586 1.00 0.00 N ATOM 239 CA GLU A 17 1.979 -3.205 3.367 1.00 0.00 C ATOM 240 C GLU A 17 0.673 -3.071 4.131 1.00 0.00 C ATOM 241 O GLU A 17 -0.042 -4.033 4.346 1.00 0.00 O ATOM 242 CB GLU A 17 3.135 -3.275 4.352 1.00 0.00 C ATOM 243 CG GLU A 17 3.547 -4.727 4.548 1.00 0.00 C ATOM 244 CD GLU A 17 3.020 -5.231 5.892 1.00 0.00 C ATOM 245 OE1 GLU A 17 1.881 -4.932 6.209 1.00 0.00 O ATOM 246 OE2 GLU A 17 3.765 -5.908 6.583 1.00 0.00 O ATOM 247 H GLU A 17 3.073 -1.478 2.707 1.00 0.00 H ATOM 248 HA GLU A 17 1.972 -4.074 2.729 1.00 0.00 H ATOM 249 HB2 GLU A 17 3.966 -2.710 3.965 1.00 0.00 H ATOM 250 HB3 GLU A 17 2.826 -2.861 5.300 1.00 0.00 H ATOM 251 HG2 GLU A 17 3.141 -5.330 3.749 1.00 0.00 H ATOM 252 HG3 GLU A 17 4.616 -4.789 4.539 1.00 0.00 H ATOM 253 N ASN A 18 0.353 -1.878 4.544 1.00 0.00 N ATOM 254 CA ASN A 18 -0.907 -1.662 5.307 1.00 0.00 C ATOM 255 C ASN A 18 -2.140 -1.835 4.410 1.00 0.00 C ATOM 256 O ASN A 18 -3.131 -1.149 4.573 1.00 0.00 O ATOM 257 CB ASN A 18 -0.808 -0.223 5.809 1.00 0.00 C ATOM 258 CG ASN A 18 0.437 -0.075 6.685 1.00 0.00 C ATOM 259 OD1 ASN A 18 1.267 0.778 6.443 1.00 0.00 O ATOM 260 ND2 ASN A 18 0.604 -0.879 7.700 1.00 0.00 N ATOM 261 H ASN A 18 0.948 -1.123 4.356 1.00 0.00 H ATOM 262 HA ASN A 18 -0.957 -2.336 6.147 1.00 0.00 H ATOM 263 HB2 ASN A 18 -0.734 0.448 4.964 1.00 0.00 H ATOM 264 HB3 ASN A 18 -1.685 0.020 6.389 1.00 0.00 H ATOM 265 HD21 ASN A 18 -0.063 -1.569 7.893 1.00 0.00 H ATOM 266 HD22 ASN A 18 1.398 -0.793 8.268 1.00 0.00 H ATOM 267 N TYR A 19 -2.102 -2.742 3.468 1.00 0.00 N ATOM 268 CA TYR A 19 -3.289 -2.935 2.590 1.00 0.00 C ATOM 269 C TYR A 19 -3.545 -4.428 2.344 1.00 0.00 C ATOM 270 O TYR A 19 -4.665 -4.835 2.111 1.00 0.00 O ATOM 271 CB TYR A 19 -2.948 -2.191 1.295 1.00 0.00 C ATOM 272 CG TYR A 19 -3.045 -0.708 1.564 1.00 0.00 C ATOM 273 CD1 TYR A 19 -4.274 -0.047 1.424 1.00 0.00 C ATOM 274 CD2 TYR A 19 -1.913 0.005 1.983 1.00 0.00 C ATOM 275 CE1 TYR A 19 -4.368 1.323 1.701 1.00 0.00 C ATOM 276 CE2 TYR A 19 -2.010 1.372 2.268 1.00 0.00 C ATOM 277 CZ TYR A 19 -3.237 2.030 2.130 1.00 0.00 C ATOM 278 OH TYR A 19 -3.332 3.379 2.413 1.00 0.00 O ATOM 279 H TYR A 19 -1.303 -3.295 3.342 1.00 0.00 H ATOM 280 HA TYR A 19 -4.157 -2.485 3.046 1.00 0.00 H ATOM 281 HB2 TYR A 19 -1.944 -2.441 0.984 1.00 0.00 H ATOM 282 HB3 TYR A 19 -3.649 -2.466 0.520 1.00 0.00 H ATOM 283 HD1 TYR A 19 -5.146 -0.588 1.090 1.00 0.00 H ATOM 284 HD2 TYR A 19 -0.966 -0.498 2.088 1.00 0.00 H ATOM 285 HE1 TYR A 19 -5.314 1.832 1.586 1.00 0.00 H ATOM 286 HE2 TYR A 19 -1.134 1.918 2.580 1.00 0.00 H ATOM 287 HH TYR A 19 -3.131 3.501 3.343 1.00 0.00 H ATOM 288 N CYS A 20 -2.530 -5.254 2.406 1.00 0.00 N ATOM 289 CA CYS A 20 -2.757 -6.709 2.185 1.00 0.00 C ATOM 290 C CYS A 20 -2.842 -7.445 3.525 1.00 0.00 C ATOM 291 O CYS A 20 -2.729 -6.853 4.579 1.00 0.00 O ATOM 292 CB CYS A 20 -1.546 -7.189 1.392 1.00 0.00 C ATOM 293 SG CYS A 20 -0.024 -6.818 2.301 1.00 0.00 S ATOM 294 H CYS A 20 -1.632 -4.924 2.599 1.00 0.00 H ATOM 295 HA CYS A 20 -3.657 -6.866 1.613 1.00 0.00 H ATOM 296 HB2 CYS A 20 -1.620 -8.255 1.239 1.00 0.00 H ATOM 297 HB3 CYS A 20 -1.524 -6.690 0.436 1.00 0.00 H ATOM 298 N ASN A 21 -3.041 -8.734 3.487 1.00 0.00 N ATOM 299 CA ASN A 21 -3.137 -9.515 4.753 1.00 0.00 C ATOM 300 C ASN A 21 -4.296 -8.995 5.608 1.00 0.00 C ATOM 301 O ASN A 21 -5.198 -8.397 5.047 1.00 0.00 O ATOM 302 CB ASN A 21 -1.801 -9.291 5.463 1.00 0.00 C ATOM 303 CG ASN A 21 -0.914 -10.524 5.279 1.00 0.00 C ATOM 304 OD1 ASN A 21 -1.350 -11.525 4.746 1.00 0.00 O ATOM 305 ND2 ASN A 21 0.320 -10.496 5.701 1.00 0.00 N ATOM 306 OXT ASN A 21 -4.261 -9.207 6.809 1.00 0.00 O ATOM 307 H ASN A 21 -3.128 -9.190 2.624 1.00 0.00 H ATOM 308 HA ASN A 21 -3.268 -10.564 4.538 1.00 0.00 H ATOM 309 HB2 ASN A 21 -1.310 -8.425 5.041 1.00 0.00 H ATOM 310 HB3 ASN A 21 -1.976 -9.129 6.516 1.00 0.00 H ATOM 311 HD21 ASN A 21 0.672 -9.689 6.132 1.00 0.00 H ATOM 312 HD22 ASN A 21 0.895 -11.281 5.588 1.00 0.00 H TER 313 ASN A 21 ATOM 314 N PHE B 1 15.549 1.288 1.624 1.00 0.00 N ATOM 315 CA PHE B 1 14.969 1.150 0.257 1.00 0.00 C ATOM 316 C PHE B 1 13.902 2.225 0.029 1.00 0.00 C ATOM 317 O PHE B 1 13.186 2.603 0.936 1.00 0.00 O ATOM 318 CB PHE B 1 14.342 -0.244 0.228 1.00 0.00 C ATOM 319 CG PHE B 1 14.083 -0.652 -1.202 1.00 0.00 C ATOM 320 CD1 PHE B 1 15.101 -1.252 -1.955 1.00 0.00 C ATOM 321 CD2 PHE B 1 12.825 -0.428 -1.778 1.00 0.00 C ATOM 322 CE1 PHE B 1 14.860 -1.630 -3.283 1.00 0.00 C ATOM 323 CE2 PHE B 1 12.585 -0.805 -3.105 1.00 0.00 C ATOM 324 CZ PHE B 1 13.602 -1.406 -3.858 1.00 0.00 C ATOM 325 H1 PHE B 1 14.791 1.201 2.332 1.00 0.00 H ATOM 326 H2 PHE B 1 16.255 0.540 1.779 1.00 0.00 H ATOM 327 H3 PHE B 1 16.004 2.217 1.716 1.00 0.00 H ATOM 328 HA PHE B 1 15.743 1.223 -0.491 1.00 0.00 H ATOM 329 HB2 PHE B 1 15.017 -0.950 0.688 1.00 0.00 H ATOM 330 HB3 PHE B 1 13.409 -0.231 0.772 1.00 0.00 H ATOM 331 HD1 PHE B 1 16.070 -1.426 -1.512 1.00 0.00 H ATOM 332 HD2 PHE B 1 12.041 0.035 -1.197 1.00 0.00 H ATOM 333 HE1 PHE B 1 15.645 -2.093 -3.864 1.00 0.00 H ATOM 334 HE2 PHE B 1 11.616 -0.632 -3.549 1.00 0.00 H ATOM 335 HZ PHE B 1 13.418 -1.695 -4.882 1.00 0.00 H ATOM 336 N VAL B 2 13.791 2.723 -1.172 1.00 0.00 N ATOM 337 CA VAL B 2 12.775 3.774 -1.452 1.00 0.00 C ATOM 338 C VAL B 2 11.815 3.301 -2.544 1.00 0.00 C ATOM 339 O VAL B 2 11.766 2.136 -2.884 1.00 0.00 O ATOM 340 CB VAL B 2 13.581 4.982 -1.932 1.00 0.00 C ATOM 341 CG1 VAL B 2 14.367 5.570 -0.758 1.00 0.00 C ATOM 342 CG2 VAL B 2 14.555 4.540 -3.027 1.00 0.00 C ATOM 343 H VAL B 2 14.377 2.409 -1.890 1.00 0.00 H ATOM 344 HA VAL B 2 12.232 4.025 -0.557 1.00 0.00 H ATOM 345 HB VAL B 2 12.907 5.730 -2.326 1.00 0.00 H ATOM 346 HG11 VAL B 2 13.761 5.534 0.136 1.00 0.00 H ATOM 347 HG12 VAL B 2 15.268 4.996 -0.605 1.00 0.00 H ATOM 348 HG13 VAL B 2 14.626 6.595 -0.977 1.00 0.00 H ATOM 349 HG21 VAL B 2 14.030 3.940 -3.756 1.00 0.00 H ATOM 350 HG22 VAL B 2 14.972 5.411 -3.511 1.00 0.00 H ATOM 351 HG23 VAL B 2 15.351 3.958 -2.587 1.00 0.00 H ATOM 352 N ASN B 3 11.051 4.201 -3.091 1.00 0.00 N ATOM 353 CA ASN B 3 10.088 3.815 -4.161 1.00 0.00 C ATOM 354 C ASN B 3 9.631 5.057 -4.937 1.00 0.00 C ATOM 355 O ASN B 3 10.144 6.142 -4.747 1.00 0.00 O ATOM 356 CB ASN B 3 8.916 3.173 -3.413 1.00 0.00 C ATOM 357 CG ASN B 3 8.094 2.318 -4.382 1.00 0.00 C ATOM 358 OD1 ASN B 3 6.882 2.397 -4.401 1.00 0.00 O ATOM 359 ND2 ASN B 3 8.707 1.499 -5.193 1.00 0.00 N ATOM 360 H ASN B 3 11.110 5.133 -2.796 1.00 0.00 H ATOM 361 HA ASN B 3 10.535 3.097 -4.829 1.00 0.00 H ATOM 362 HB2 ASN B 3 9.298 2.547 -2.619 1.00 0.00 H ATOM 363 HB3 ASN B 3 8.288 3.943 -2.993 1.00 0.00 H ATOM 364 HD21 ASN B 3 9.684 1.435 -5.178 1.00 0.00 H ATOM 365 HD22 ASN B 3 8.189 0.949 -5.817 1.00 0.00 H ATOM 366 N GLN B 4 8.678 4.906 -5.817 1.00 0.00 N ATOM 367 CA GLN B 4 8.191 6.068 -6.615 1.00 0.00 C ATOM 368 C GLN B 4 6.667 6.216 -6.430 1.00 0.00 C ATOM 369 O GLN B 4 6.100 5.689 -5.482 1.00 0.00 O ATOM 370 CB GLN B 4 8.567 5.694 -8.059 1.00 0.00 C ATOM 371 CG GLN B 4 8.451 6.916 -8.974 1.00 0.00 C ATOM 372 CD GLN B 4 9.619 6.930 -9.963 1.00 0.00 C ATOM 373 OE1 GLN B 4 9.421 6.809 -11.157 1.00 0.00 O ATOM 374 NE2 GLN B 4 10.836 7.076 -9.517 1.00 0.00 N ATOM 375 H GLN B 4 8.283 4.020 -5.962 1.00 0.00 H ATOM 376 HA GLN B 4 8.701 6.972 -6.319 1.00 0.00 H ATOM 377 HB2 GLN B 4 9.588 5.337 -8.075 1.00 0.00 H ATOM 378 HB3 GLN B 4 7.914 4.908 -8.414 1.00 0.00 H ATOM 379 HG2 GLN B 4 7.520 6.869 -9.518 1.00 0.00 H ATOM 380 HG3 GLN B 4 8.476 7.815 -8.379 1.00 0.00 H ATOM 381 HE21 GLN B 4 10.996 7.174 -8.555 1.00 0.00 H ATOM 382 HE22 GLN B 4 11.590 7.087 -10.143 1.00 0.00 H ATOM 383 N HIS B 5 5.991 6.914 -7.313 1.00 0.00 N ATOM 384 CA HIS B 5 4.518 7.051 -7.165 1.00 0.00 C ATOM 385 C HIS B 5 3.843 5.894 -7.916 1.00 0.00 C ATOM 386 O HIS B 5 4.230 5.555 -9.017 1.00 0.00 O ATOM 387 CB HIS B 5 4.122 8.411 -7.778 1.00 0.00 C ATOM 388 CG HIS B 5 5.211 9.438 -7.569 1.00 0.00 C ATOM 389 ND1 HIS B 5 5.055 10.496 -6.687 1.00 0.00 N ATOM 390 CD2 HIS B 5 6.464 9.594 -8.116 1.00 0.00 C ATOM 391 CE1 HIS B 5 6.181 11.230 -6.725 1.00 0.00 C ATOM 392 NE2 HIS B 5 7.073 10.725 -7.581 1.00 0.00 N ATOM 393 H HIS B 5 6.441 7.329 -8.064 1.00 0.00 H ATOM 394 HA HIS B 5 4.251 7.023 -6.119 1.00 0.00 H ATOM 395 HB2 HIS B 5 3.931 8.292 -8.830 1.00 0.00 H ATOM 396 HB3 HIS B 5 3.219 8.763 -7.302 1.00 0.00 H ATOM 397 HD1 HIS B 5 4.260 10.687 -6.150 1.00 0.00 H ATOM 398 HD2 HIS B 5 6.907 8.940 -8.854 1.00 0.00 H ATOM 399 HE1 HIS B 5 6.345 12.117 -6.131 1.00 0.00 H ATOM 400 N LEU B 6 2.879 5.249 -7.315 1.00 0.00 N ATOM 401 CA LEU B 6 2.242 4.079 -7.988 1.00 0.00 C ATOM 402 C LEU B 6 0.795 4.308 -8.434 1.00 0.00 C ATOM 403 O LEU B 6 0.031 3.372 -8.475 1.00 0.00 O ATOM 404 CB LEU B 6 2.268 2.983 -6.927 1.00 0.00 C ATOM 405 CG LEU B 6 3.702 2.705 -6.500 1.00 0.00 C ATOM 406 CD1 LEU B 6 3.702 1.930 -5.182 1.00 0.00 C ATOM 407 CD2 LEU B 6 4.381 1.872 -7.575 1.00 0.00 C ATOM 408 H LEU B 6 2.613 5.500 -6.413 1.00 0.00 H ATOM 409 HA LEU B 6 2.831 3.789 -8.825 1.00 0.00 H ATOM 410 HB2 LEU B 6 1.698 3.303 -6.073 1.00 0.00 H ATOM 411 HB3 LEU B 6 1.831 2.085 -7.326 1.00 0.00 H ATOM 412 HG LEU B 6 4.231 3.639 -6.372 1.00 0.00 H ATOM 413 HD11 LEU B 6 3.008 2.388 -4.493 1.00 0.00 H ATOM 414 HD12 LEU B 6 3.404 0.908 -5.366 1.00 0.00 H ATOM 415 HD13 LEU B 6 4.694 1.943 -4.756 1.00 0.00 H ATOM 416 HD21 LEU B 6 3.756 1.025 -7.815 1.00 0.00 H ATOM 417 HD22 LEU B 6 4.522 2.477 -8.458 1.00 0.00 H ATOM 418 HD23 LEU B 6 5.336 1.528 -7.214 1.00 0.00 H ATOM 419 N CYS B 7 0.418 5.506 -8.783 1.00 0.00 N ATOM 420 CA CYS B 7 -0.993 5.768 -9.240 1.00 0.00 C ATOM 421 C CYS B 7 -1.777 4.474 -9.496 1.00 0.00 C ATOM 422 O CYS B 7 -1.391 3.649 -10.295 1.00 0.00 O ATOM 423 CB CYS B 7 -0.848 6.587 -10.516 1.00 0.00 C ATOM 424 SG CYS B 7 -0.306 8.242 -10.072 1.00 0.00 S ATOM 425 H CYS B 7 1.060 6.241 -8.751 1.00 0.00 H ATOM 426 HA CYS B 7 -1.507 6.351 -8.507 1.00 0.00 H ATOM 427 HB2 CYS B 7 -0.123 6.131 -11.165 1.00 0.00 H ATOM 428 HB3 CYS B 7 -1.804 6.651 -11.014 1.00 0.00 H ATOM 429 N GLY B 8 -2.859 4.312 -8.775 1.00 0.00 N ATOM 430 CA GLY B 8 -3.740 3.099 -8.864 1.00 0.00 C ATOM 431 C GLY B 8 -3.218 2.018 -9.832 1.00 0.00 C ATOM 432 O GLY B 8 -2.884 0.930 -9.408 1.00 0.00 O ATOM 433 H GLY B 8 -3.096 5.012 -8.130 1.00 0.00 H ATOM 434 HA2 GLY B 8 -3.802 2.662 -7.880 1.00 0.00 H ATOM 435 HA3 GLY B 8 -4.731 3.403 -9.161 1.00 0.00 H ATOM 436 N SER B 9 -3.162 2.268 -11.122 1.00 0.00 N ATOM 437 CA SER B 9 -2.685 1.203 -12.046 1.00 0.00 C ATOM 438 C SER B 9 -1.296 0.721 -11.648 1.00 0.00 C ATOM 439 O SER B 9 -0.968 -0.448 -11.772 1.00 0.00 O ATOM 440 CB SER B 9 -2.654 1.856 -13.426 1.00 0.00 C ATOM 441 OG SER B 9 -3.604 1.220 -14.270 1.00 0.00 O ATOM 442 H SER B 9 -3.440 3.133 -11.485 1.00 0.00 H ATOM 443 HA SER B 9 -3.374 0.380 -12.044 1.00 0.00 H ATOM 444 HB2 SER B 9 -2.901 2.900 -13.338 1.00 0.00 H ATOM 445 HB3 SER B 9 -1.661 1.757 -13.847 1.00 0.00 H ATOM 446 HG SER B 9 -4.221 1.886 -14.578 1.00 0.00 H ATOM 447 N HIS B 10 -0.482 1.591 -11.136 1.00 0.00 N ATOM 448 CA HIS B 10 0.865 1.144 -10.716 1.00 0.00 C ATOM 449 C HIS B 10 0.711 0.482 -9.364 1.00 0.00 C ATOM 450 O HIS B 10 1.330 -0.514 -9.062 1.00 0.00 O ATOM 451 CB HIS B 10 1.710 2.410 -10.623 1.00 0.00 C ATOM 452 CG HIS B 10 2.527 2.572 -11.878 1.00 0.00 C ATOM 453 ND1 HIS B 10 1.981 2.428 -13.144 1.00 0.00 N ATOM 454 CD2 HIS B 10 3.852 2.871 -12.074 1.00 0.00 C ATOM 455 CE1 HIS B 10 2.966 2.641 -14.037 1.00 0.00 C ATOM 456 NE2 HIS B 10 4.127 2.915 -13.437 1.00 0.00 N ATOM 457 H HIS B 10 -0.770 2.523 -10.995 1.00 0.00 H ATOM 458 HA HIS B 10 1.283 0.454 -11.436 1.00 0.00 H ATOM 459 HB2 HIS B 10 1.064 3.266 -10.502 1.00 0.00 H ATOM 460 HB3 HIS B 10 2.370 2.332 -9.776 1.00 0.00 H ATOM 461 HD1 HIS B 10 1.046 2.213 -13.351 1.00 0.00 H ATOM 462 HD2 HIS B 10 4.572 3.051 -11.288 1.00 0.00 H ATOM 463 HE1 HIS B 10 2.833 2.597 -15.107 1.00 0.00 H ATOM 464 N LEU B 11 -0.141 1.025 -8.551 1.00 0.00 N ATOM 465 CA LEU B 11 -0.367 0.414 -7.224 1.00 0.00 C ATOM 466 C LEU B 11 -0.925 -0.979 -7.396 1.00 0.00 C ATOM 467 O LEU B 11 -0.402 -1.932 -6.861 1.00 0.00 O ATOM 468 CB LEU B 11 -1.407 1.274 -6.533 1.00 0.00 C ATOM 469 CG LEU B 11 -0.695 2.372 -5.762 1.00 0.00 C ATOM 470 CD1 LEU B 11 -1.722 3.273 -5.085 1.00 0.00 C ATOM 471 CD2 LEU B 11 0.189 1.714 -4.707 1.00 0.00 C ATOM 472 H LEU B 11 -0.638 1.829 -8.822 1.00 0.00 H ATOM 473 HA LEU B 11 0.548 0.397 -6.650 1.00 0.00 H ATOM 474 HB2 LEU B 11 -2.078 1.689 -7.266 1.00 0.00 H ATOM 475 HB3 LEU B 11 -1.970 0.665 -5.839 1.00 0.00 H ATOM 476 HG LEU B 11 -0.086 2.954 -6.435 1.00 0.00 H ATOM 477 HD11 LEU B 11 -2.370 3.705 -5.832 1.00 0.00 H ATOM 478 HD12 LEU B 11 -2.309 2.690 -4.391 1.00 0.00 H ATOM 479 HD13 LEU B 11 -1.211 4.062 -4.551 1.00 0.00 H ATOM 480 HD21 LEU B 11 0.087 0.638 -4.778 1.00 0.00 H ATOM 481 HD22 LEU B 11 1.219 1.986 -4.875 1.00 0.00 H ATOM 482 HD23 LEU B 11 -0.118 2.038 -3.726 1.00 0.00 H ATOM 483 N VAL B 12 -1.997 -1.122 -8.131 1.00 0.00 N ATOM 484 CA VAL B 12 -2.557 -2.468 -8.281 1.00 0.00 C ATOM 485 C VAL B 12 -1.448 -3.410 -8.749 1.00 0.00 C ATOM 486 O VAL B 12 -1.473 -4.592 -8.479 1.00 0.00 O ATOM 487 CB VAL B 12 -3.686 -2.323 -9.307 1.00 0.00 C ATOM 488 CG1 VAL B 12 -3.749 -3.543 -10.225 1.00 0.00 C ATOM 489 CG2 VAL B 12 -5.021 -2.178 -8.572 1.00 0.00 C ATOM 490 H VAL B 12 -2.431 -0.353 -8.573 1.00 0.00 H ATOM 491 HA VAL B 12 -2.950 -2.785 -7.336 1.00 0.00 H ATOM 492 HB VAL B 12 -3.512 -1.443 -9.895 1.00 0.00 H ATOM 493 HG11 VAL B 12 -3.714 -4.442 -9.630 1.00 0.00 H ATOM 494 HG12 VAL B 12 -4.668 -3.520 -10.792 1.00 0.00 H ATOM 495 HG13 VAL B 12 -2.907 -3.524 -10.901 1.00 0.00 H ATOM 496 HG21 VAL B 12 -5.106 -2.953 -7.825 1.00 0.00 H ATOM 497 HG22 VAL B 12 -5.067 -1.210 -8.095 1.00 0.00 H ATOM 498 HG23 VAL B 12 -5.832 -2.270 -9.279 1.00 0.00 H ATOM 499 N GLU B 13 -0.462 -2.891 -9.435 1.00 0.00 N ATOM 500 CA GLU B 13 0.647 -3.768 -9.898 1.00 0.00 C ATOM 501 C GLU B 13 1.790 -3.781 -8.871 1.00 0.00 C ATOM 502 O GLU B 13 2.612 -4.682 -8.850 1.00 0.00 O ATOM 503 CB GLU B 13 1.089 -3.176 -11.252 1.00 0.00 C ATOM 504 CG GLU B 13 2.252 -2.185 -11.083 1.00 0.00 C ATOM 505 CD GLU B 13 3.541 -2.810 -11.622 1.00 0.00 C ATOM 506 OE1 GLU B 13 3.514 -3.312 -12.735 1.00 0.00 O ATOM 507 OE2 GLU B 13 4.534 -2.775 -10.915 1.00 0.00 O ATOM 508 H GLU B 13 -0.451 -1.929 -9.637 1.00 0.00 H ATOM 509 HA GLU B 13 0.279 -4.767 -10.041 1.00 0.00 H ATOM 510 HB2 GLU B 13 1.402 -3.975 -11.903 1.00 0.00 H ATOM 511 HB3 GLU B 13 0.252 -2.662 -11.702 1.00 0.00 H ATOM 512 HG2 GLU B 13 2.036 -1.282 -11.634 1.00 0.00 H ATOM 513 HG3 GLU B 13 2.384 -1.943 -10.044 1.00 0.00 H ATOM 514 N ALA B 14 1.836 -2.808 -7.999 1.00 0.00 N ATOM 515 CA ALA B 14 2.916 -2.784 -6.979 1.00 0.00 C ATOM 516 C ALA B 14 2.368 -3.348 -5.684 1.00 0.00 C ATOM 517 O ALA B 14 3.099 -3.725 -4.791 1.00 0.00 O ATOM 518 CB ALA B 14 3.287 -1.308 -6.810 1.00 0.00 C ATOM 519 H ALA B 14 1.146 -2.108 -7.998 1.00 0.00 H ATOM 520 HA ALA B 14 3.769 -3.355 -7.314 1.00 0.00 H ATOM 521 HB1 ALA B 14 2.872 -0.734 -7.625 1.00 0.00 H ATOM 522 HB2 ALA B 14 2.889 -0.941 -5.874 1.00 0.00 H ATOM 523 HB3 ALA B 14 4.362 -1.204 -6.807 1.00 0.00 H ATOM 524 N LEU B 15 1.077 -3.414 -5.585 1.00 0.00 N ATOM 525 CA LEU B 15 0.458 -3.961 -4.367 1.00 0.00 C ATOM 526 C LEU B 15 0.224 -5.452 -4.586 1.00 0.00 C ATOM 527 O LEU B 15 0.212 -6.236 -3.659 1.00 0.00 O ATOM 528 CB LEU B 15 -0.816 -3.137 -4.251 1.00 0.00 C ATOM 529 CG LEU B 15 -1.944 -3.902 -3.557 1.00 0.00 C ATOM 530 CD1 LEU B 15 -1.396 -4.721 -2.387 1.00 0.00 C ATOM 531 CD2 LEU B 15 -2.972 -2.903 -3.024 1.00 0.00 C ATOM 532 H LEU B 15 0.502 -3.108 -6.327 1.00 0.00 H ATOM 533 HA LEU B 15 1.096 -3.799 -3.513 1.00 0.00 H ATOM 534 HB2 LEU B 15 -0.602 -2.231 -3.720 1.00 0.00 H ATOM 535 HB3 LEU B 15 -1.129 -2.878 -5.229 1.00 0.00 H ATOM 536 HG LEU B 15 -2.421 -4.555 -4.277 1.00 0.00 H ATOM 537 HD11 LEU B 15 -0.346 -4.507 -2.256 1.00 0.00 H ATOM 538 HD12 LEU B 15 -1.931 -4.458 -1.486 1.00 0.00 H ATOM 539 HD13 LEU B 15 -1.529 -5.772 -2.591 1.00 0.00 H ATOM 540 HD21 LEU B 15 -3.023 -2.050 -3.685 1.00 0.00 H ATOM 541 HD22 LEU B 15 -3.940 -3.377 -2.971 1.00 0.00 H ATOM 542 HD23 LEU B 15 -2.677 -2.576 -2.036 1.00 0.00 H ATOM 543 N TYR B 16 0.115 -5.864 -5.823 1.00 0.00 N ATOM 544 CA TYR B 16 -0.036 -7.315 -6.095 1.00 0.00 C ATOM 545 C TYR B 16 1.350 -7.949 -6.025 1.00 0.00 C ATOM 546 O TYR B 16 1.525 -9.046 -5.533 1.00 0.00 O ATOM 547 CB TYR B 16 -0.611 -7.417 -7.519 1.00 0.00 C ATOM 548 CG TYR B 16 0.351 -8.159 -8.441 1.00 0.00 C ATOM 549 CD1 TYR B 16 0.529 -9.544 -8.303 1.00 0.00 C ATOM 550 CD2 TYR B 16 1.064 -7.460 -9.423 1.00 0.00 C ATOM 551 CE1 TYR B 16 1.414 -10.225 -9.150 1.00 0.00 C ATOM 552 CE2 TYR B 16 1.949 -8.141 -10.268 1.00 0.00 C ATOM 553 CZ TYR B 16 2.124 -9.524 -10.132 1.00 0.00 C ATOM 554 OH TYR B 16 2.997 -10.195 -10.965 1.00 0.00 O ATOM 555 H TYR B 16 0.184 -5.226 -6.569 1.00 0.00 H ATOM 556 HA TYR B 16 -0.704 -7.772 -5.381 1.00 0.00 H ATOM 557 HB2 TYR B 16 -1.550 -7.944 -7.489 1.00 0.00 H ATOM 558 HB3 TYR B 16 -0.776 -6.427 -7.901 1.00 0.00 H ATOM 559 HD1 TYR B 16 -0.012 -10.088 -7.543 1.00 0.00 H ATOM 560 HD2 TYR B 16 0.940 -6.396 -9.525 1.00 0.00 H ATOM 561 HE1 TYR B 16 1.551 -11.291 -9.043 1.00 0.00 H ATOM 562 HE2 TYR B 16 2.496 -7.601 -11.026 1.00 0.00 H ATOM 563 HH TYR B 16 2.550 -10.974 -11.298 1.00 0.00 H ATOM 564 N LEU B 17 2.335 -7.264 -6.547 1.00 0.00 N ATOM 565 CA LEU B 17 3.700 -7.840 -6.539 1.00 0.00 C ATOM 566 C LEU B 17 4.201 -7.848 -5.118 1.00 0.00 C ATOM 567 O LEU B 17 5.047 -8.633 -4.737 1.00 0.00 O ATOM 568 CB LEU B 17 4.588 -6.841 -7.289 1.00 0.00 C ATOM 569 CG LEU B 17 5.490 -7.503 -8.363 1.00 0.00 C ATOM 570 CD1 LEU B 17 5.437 -9.034 -8.306 1.00 0.00 C ATOM 571 CD2 LEU B 17 5.040 -7.036 -9.747 1.00 0.00 C ATOM 572 H LEU B 17 2.169 -6.389 -6.957 1.00 0.00 H ATOM 573 HA LEU B 17 3.708 -8.811 -6.991 1.00 0.00 H ATOM 574 HB2 LEU B 17 3.979 -6.090 -7.714 1.00 0.00 H ATOM 575 HB3 LEU B 17 5.239 -6.363 -6.570 1.00 0.00 H ATOM 576 HG LEU B 17 6.509 -7.186 -8.201 1.00 0.00 H ATOM 577 HD11 LEU B 17 5.555 -9.362 -7.284 1.00 0.00 H ATOM 578 HD12 LEU B 17 4.485 -9.376 -8.686 1.00 0.00 H ATOM 579 HD13 LEU B 17 6.233 -9.445 -8.910 1.00 0.00 H ATOM 580 HD21 LEU B 17 3.967 -7.094 -9.814 1.00 0.00 H ATOM 581 HD22 LEU B 17 5.355 -6.014 -9.901 1.00 0.00 H ATOM 582 HD23 LEU B 17 5.484 -7.667 -10.502 1.00 0.00 H ATOM 583 N VAL B 18 3.740 -6.906 -4.347 1.00 0.00 N ATOM 584 CA VAL B 18 4.259 -6.799 -2.984 1.00 0.00 C ATOM 585 C VAL B 18 3.449 -7.641 -1.995 1.00 0.00 C ATOM 586 O VAL B 18 3.935 -8.029 -0.952 1.00 0.00 O ATOM 587 CB VAL B 18 4.168 -5.308 -2.634 1.00 0.00 C ATOM 588 CG1 VAL B 18 2.748 -4.958 -2.177 1.00 0.00 C ATOM 589 CG2 VAL B 18 5.155 -4.991 -1.508 1.00 0.00 C ATOM 590 H VAL B 18 3.099 -6.245 -4.687 1.00 0.00 H ATOM 591 HA VAL B 18 5.285 -7.097 -3.012 1.00 0.00 H ATOM 592 HB VAL B 18 4.416 -4.721 -3.506 1.00 0.00 H ATOM 593 HG11 VAL B 18 2.031 -5.437 -2.826 1.00 0.00 H ATOM 594 HG12 VAL B 18 2.602 -5.301 -1.163 1.00 0.00 H ATOM 595 HG13 VAL B 18 2.612 -3.888 -2.217 1.00 0.00 H ATOM 596 HG21 VAL B 18 5.384 -5.896 -0.965 1.00 0.00 H ATOM 597 HG22 VAL B 18 6.063 -4.583 -1.927 1.00 0.00 H ATOM 598 HG23 VAL B 18 4.713 -4.270 -0.835 1.00 0.00 H ATOM 599 N CYS B 19 2.210 -7.903 -2.303 1.00 0.00 N ATOM 600 CA CYS B 19 1.361 -8.692 -1.367 1.00 0.00 C ATOM 601 C CYS B 19 0.339 -9.528 -2.147 1.00 0.00 C ATOM 602 O CYS B 19 -0.850 -9.432 -1.912 1.00 0.00 O ATOM 603 CB CYS B 19 0.640 -7.632 -0.537 1.00 0.00 C ATOM 604 SG CYS B 19 1.449 -7.460 1.074 1.00 0.00 S ATOM 605 H CYS B 19 1.828 -7.565 -3.143 1.00 0.00 H ATOM 606 HA CYS B 19 1.967 -9.310 -0.718 1.00 0.00 H ATOM 607 HB2 CYS B 19 0.671 -6.686 -1.058 1.00 0.00 H ATOM 608 HB3 CYS B 19 -0.386 -7.928 -0.397 1.00 0.00 H ATOM 609 N GLY B 20 0.771 -10.340 -3.080 1.00 0.00 N ATOM 610 CA GLY B 20 -0.204 -11.147 -3.854 1.00 0.00 C ATOM 611 C GLY B 20 -0.448 -12.478 -3.142 1.00 0.00 C ATOM 612 O GLY B 20 -0.278 -12.590 -1.943 1.00 0.00 O ATOM 613 H GLY B 20 1.728 -10.417 -3.277 1.00 0.00 H ATOM 614 HA2 GLY B 20 -1.136 -10.604 -3.934 1.00 0.00 H ATOM 615 HA3 GLY B 20 0.191 -11.331 -4.837 1.00 0.00 H ATOM 616 N GLU B 21 -0.853 -13.484 -3.868 1.00 0.00 N ATOM 617 CA GLU B 21 -1.119 -14.806 -3.229 1.00 0.00 C ATOM 618 C GLU B 21 -1.860 -14.602 -1.912 1.00 0.00 C ATOM 619 O GLU B 21 -1.544 -15.198 -0.901 1.00 0.00 O ATOM 620 CB GLU B 21 0.258 -15.424 -2.988 1.00 0.00 C ATOM 621 CG GLU B 21 0.874 -15.844 -4.324 1.00 0.00 C ATOM 622 CD GLU B 21 1.717 -17.103 -4.123 1.00 0.00 C ATOM 623 OE1 GLU B 21 1.293 -17.963 -3.368 1.00 0.00 O ATOM 624 OE2 GLU B 21 2.774 -17.187 -4.726 1.00 0.00 O ATOM 625 H GLU B 21 -0.989 -13.369 -4.831 1.00 0.00 H ATOM 626 HA GLU B 21 -1.698 -15.427 -3.889 1.00 0.00 H ATOM 627 HB2 GLU B 21 0.899 -14.698 -2.508 1.00 0.00 H ATOM 628 HB3 GLU B 21 0.156 -16.291 -2.353 1.00 0.00 H ATOM 629 HG2 GLU B 21 0.086 -16.046 -5.036 1.00 0.00 H ATOM 630 HG3 GLU B 21 1.501 -15.048 -4.697 1.00 0.00 H ATOM 631 N ARG B 22 -2.846 -13.758 -1.929 1.00 0.00 N ATOM 632 CA ARG B 22 -3.634 -13.483 -0.694 1.00 0.00 C ATOM 633 C ARG B 22 -4.671 -12.393 -0.967 1.00 0.00 C ATOM 634 O ARG B 22 -5.672 -12.287 -0.287 1.00 0.00 O ATOM 635 CB ARG B 22 -2.611 -12.997 0.337 1.00 0.00 C ATOM 636 CG ARG B 22 -2.986 -13.529 1.722 1.00 0.00 C ATOM 637 CD ARG B 22 -2.049 -14.679 2.102 1.00 0.00 C ATOM 638 NE ARG B 22 -1.872 -14.558 3.576 1.00 0.00 N ATOM 639 CZ ARG B 22 -2.721 -15.131 4.385 1.00 0.00 C ATOM 640 NH1 ARG B 22 -2.988 -16.403 4.259 1.00 0.00 N ATOM 641 NH2 ARG B 22 -3.301 -14.432 5.321 1.00 0.00 N ATOM 642 H ARG B 22 -3.070 -13.301 -2.764 1.00 0.00 H ATOM 643 HA ARG B 22 -4.112 -14.380 -0.346 1.00 0.00 H ATOM 644 HB2 ARG B 22 -1.628 -13.352 0.066 1.00 0.00 H ATOM 645 HB3 ARG B 22 -2.608 -11.917 0.358 1.00 0.00 H ATOM 646 HG2 ARG B 22 -2.894 -12.736 2.448 1.00 0.00 H ATOM 647 HG3 ARG B 22 -4.004 -13.886 1.706 1.00 0.00 H ATOM 648 HD2 ARG B 22 -2.501 -15.629 1.851 1.00 0.00 H ATOM 649 HD3 ARG B 22 -1.098 -14.571 1.605 1.00 0.00 H ATOM 650 HE ARG B 22 -1.118 -14.047 3.938 1.00 0.00 H ATOM 651 HH11 ARG B 22 -2.542 -16.941 3.544 1.00 0.00 H ATOM 652 HH12 ARG B 22 -3.640 -16.840 4.879 1.00 0.00 H ATOM 653 HH21 ARG B 22 -3.095 -13.459 5.416 1.00 0.00 H ATOM 654 HH22 ARG B 22 -3.950 -14.870 5.942 1.00 0.00 H ATOM 655 N GLY B 23 -4.436 -11.580 -1.958 1.00 0.00 N ATOM 656 CA GLY B 23 -5.402 -10.493 -2.278 1.00 0.00 C ATOM 657 C GLY B 23 -5.358 -9.435 -1.173 1.00 0.00 C ATOM 658 O GLY B 23 -4.721 -9.615 -0.156 1.00 0.00 O ATOM 659 H GLY B 23 -3.620 -11.685 -2.491 1.00 0.00 H ATOM 660 HA2 GLY B 23 -5.136 -10.043 -3.224 1.00 0.00 H ATOM 661 HA3 GLY B 23 -6.400 -10.902 -2.339 1.00 0.00 H ATOM 662 N PHE B 24 -6.028 -8.334 -1.364 1.00 0.00 N ATOM 663 CA PHE B 24 -6.020 -7.272 -0.321 1.00 0.00 C ATOM 664 C PHE B 24 -7.341 -6.503 -0.344 1.00 0.00 C ATOM 665 O PHE B 24 -8.274 -6.866 -1.030 1.00 0.00 O ATOM 666 CB PHE B 24 -4.855 -6.346 -0.687 1.00 0.00 C ATOM 667 CG PHE B 24 -4.799 -6.152 -2.185 1.00 0.00 C ATOM 668 CD1 PHE B 24 -5.662 -5.242 -2.809 1.00 0.00 C ATOM 669 CD2 PHE B 24 -3.882 -6.887 -2.952 1.00 0.00 C ATOM 670 CE1 PHE B 24 -5.610 -5.064 -4.199 1.00 0.00 C ATOM 671 CE2 PHE B 24 -3.830 -6.709 -4.342 1.00 0.00 C ATOM 672 CZ PHE B 24 -4.693 -5.799 -4.964 1.00 0.00 C ATOM 673 H PHE B 24 -6.537 -8.204 -2.189 1.00 0.00 H ATOM 674 HA PHE B 24 -5.854 -7.703 0.653 1.00 0.00 H ATOM 675 HB2 PHE B 24 -4.994 -5.388 -0.207 1.00 0.00 H ATOM 676 HB3 PHE B 24 -3.930 -6.785 -0.347 1.00 0.00 H ATOM 677 HD1 PHE B 24 -6.368 -4.676 -2.219 1.00 0.00 H ATOM 678 HD2 PHE B 24 -3.217 -7.589 -2.471 1.00 0.00 H ATOM 679 HE1 PHE B 24 -6.274 -4.362 -4.682 1.00 0.00 H ATOM 680 HE2 PHE B 24 -3.124 -7.274 -4.933 1.00 0.00 H ATOM 681 HZ PHE B 24 -4.653 -5.662 -6.036 1.00 0.00 H ATOM 682 N PHE B 25 -7.422 -5.442 0.403 1.00 0.00 N ATOM 683 CA PHE B 25 -8.679 -4.645 0.428 1.00 0.00 C ATOM 684 C PHE B 25 -8.400 -3.210 -0.021 1.00 0.00 C ATOM 685 O PHE B 25 -8.175 -2.328 0.784 1.00 0.00 O ATOM 686 CB PHE B 25 -9.143 -4.672 1.883 1.00 0.00 C ATOM 687 CG PHE B 25 -10.459 -3.944 1.994 1.00 0.00 C ATOM 688 CD1 PHE B 25 -11.481 -4.208 1.071 1.00 0.00 C ATOM 689 CD2 PHE B 25 -10.660 -3.002 3.011 1.00 0.00 C ATOM 690 CE1 PHE B 25 -12.702 -3.532 1.166 1.00 0.00 C ATOM 691 CE2 PHE B 25 -11.883 -2.323 3.106 1.00 0.00 C ATOM 692 CZ PHE B 25 -12.905 -2.589 2.182 1.00 0.00 C ATOM 693 H PHE B 25 -6.655 -5.169 0.946 1.00 0.00 H ATOM 694 HA PHE B 25 -9.424 -5.099 -0.205 1.00 0.00 H ATOM 695 HB2 PHE B 25 -9.268 -5.697 2.203 1.00 0.00 H ATOM 696 HB3 PHE B 25 -8.409 -4.185 2.507 1.00 0.00 H ATOM 697 HD1 PHE B 25 -11.325 -4.935 0.288 1.00 0.00 H ATOM 698 HD2 PHE B 25 -9.873 -2.799 3.722 1.00 0.00 H ATOM 699 HE1 PHE B 25 -13.489 -3.736 0.455 1.00 0.00 H ATOM 700 HE2 PHE B 25 -12.038 -1.597 3.889 1.00 0.00 H ATOM 701 HZ PHE B 25 -13.846 -2.066 2.253 1.00 0.00 H ATOM 702 N TYR B 26 -8.412 -2.971 -1.301 1.00 0.00 N ATOM 703 CA TYR B 26 -8.147 -1.596 -1.806 1.00 0.00 C ATOM 704 C TYR B 26 -8.903 -1.378 -3.128 1.00 0.00 C ATOM 705 O TYR B 26 -8.551 -1.930 -4.152 1.00 0.00 O ATOM 706 CB TYR B 26 -6.618 -1.543 -1.999 1.00 0.00 C ATOM 707 CG TYR B 26 -6.277 -0.945 -3.344 1.00 0.00 C ATOM 708 CD1 TYR B 26 -6.664 0.366 -3.639 1.00 0.00 C ATOM 709 CD2 TYR B 26 -5.593 -1.708 -4.298 1.00 0.00 C ATOM 710 CE1 TYR B 26 -6.368 0.918 -4.890 1.00 0.00 C ATOM 711 CE2 TYR B 26 -5.297 -1.158 -5.551 1.00 0.00 C ATOM 712 CZ TYR B 26 -5.685 0.157 -5.847 1.00 0.00 C ATOM 713 OH TYR B 26 -5.394 0.700 -7.081 1.00 0.00 O ATOM 714 H TYR B 26 -8.595 -3.697 -1.933 1.00 0.00 H ATOM 715 HA TYR B 26 -8.450 -0.864 -1.075 1.00 0.00 H ATOM 716 HB2 TYR B 26 -6.181 -0.938 -1.218 1.00 0.00 H ATOM 717 HB3 TYR B 26 -6.218 -2.544 -1.941 1.00 0.00 H ATOM 718 HD1 TYR B 26 -7.190 0.951 -2.900 1.00 0.00 H ATOM 719 HD2 TYR B 26 -5.294 -2.721 -4.066 1.00 0.00 H ATOM 720 HE1 TYR B 26 -6.670 1.930 -5.116 1.00 0.00 H ATOM 721 HE2 TYR B 26 -4.773 -1.746 -6.287 1.00 0.00 H ATOM 722 HH TYR B 26 -4.933 1.529 -6.939 1.00 0.00 H ATOM 723 N THR B 27 -9.939 -0.585 -3.110 1.00 0.00 N ATOM 724 CA THR B 27 -10.713 -0.343 -4.366 1.00 0.00 C ATOM 725 C THR B 27 -11.556 0.933 -4.242 1.00 0.00 C ATOM 726 O THR B 27 -12.727 0.930 -4.567 1.00 0.00 O ATOM 727 CB THR B 27 -11.616 -1.572 -4.520 1.00 0.00 C ATOM 728 OG1 THR B 27 -12.703 -1.254 -5.378 1.00 0.00 O ATOM 729 CG2 THR B 27 -12.151 -1.999 -3.152 1.00 0.00 C ATOM 730 H THR B 27 -10.211 -0.152 -2.276 1.00 0.00 H ATOM 731 HA THR B 27 -10.047 -0.276 -5.214 1.00 0.00 H ATOM 732 HB THR B 27 -11.046 -2.384 -4.947 1.00 0.00 H ATOM 733 HG1 THR B 27 -12.859 -2.009 -5.952 1.00 0.00 H ATOM 734 HG21 THR B 27 -12.443 -1.123 -2.593 1.00 0.00 H ATOM 735 HG22 THR B 27 -13.007 -2.644 -3.285 1.00 0.00 H ATOM 736 HG23 THR B 27 -11.378 -2.529 -2.615 1.00 0.00 H ATOM 737 N PRO B 28 -10.937 1.993 -3.777 1.00 0.00 N ATOM 738 CA PRO B 28 -11.657 3.285 -3.620 1.00 0.00 C ATOM 739 C PRO B 28 -12.004 3.884 -4.989 1.00 0.00 C ATOM 740 O PRO B 28 -12.638 4.916 -5.081 1.00 0.00 O ATOM 741 CB PRO B 28 -10.656 4.165 -2.877 1.00 0.00 C ATOM 742 CG PRO B 28 -9.322 3.580 -3.203 1.00 0.00 C ATOM 743 CD PRO B 28 -9.533 2.097 -3.356 1.00 0.00 C ATOM 744 HA PRO B 28 -12.547 3.155 -3.025 1.00 0.00 H ATOM 745 HB2 PRO B 28 -10.720 5.187 -3.228 1.00 0.00 H ATOM 746 HB3 PRO B 28 -10.830 4.119 -1.813 1.00 0.00 H ATOM 747 HG2 PRO B 28 -8.951 4.002 -4.127 1.00 0.00 H ATOM 748 HG3 PRO B 28 -8.626 3.768 -2.400 1.00 0.00 H ATOM 749 HD2 PRO B 28 -8.870 1.698 -4.109 1.00 0.00 H ATOM 750 HD3 PRO B 28 -9.387 1.597 -2.410 1.00 0.00 H ATOM 751 N LYS B 29 -11.599 3.243 -6.055 1.00 0.00 N ATOM 752 CA LYS B 29 -11.909 3.772 -7.416 1.00 0.00 C ATOM 753 C LYS B 29 -11.111 5.049 -7.689 1.00 0.00 C ATOM 754 O LYS B 29 -10.831 5.822 -6.794 1.00 0.00 O ATOM 755 CB LYS B 29 -13.410 4.075 -7.405 1.00 0.00 C ATOM 756 CG LYS B 29 -14.107 3.240 -8.479 1.00 0.00 C ATOM 757 CD LYS B 29 -15.420 2.687 -7.921 1.00 0.00 C ATOM 758 CE LYS B 29 -16.489 3.780 -7.957 1.00 0.00 C ATOM 759 NZ LYS B 29 -17.160 3.703 -6.630 1.00 0.00 N ATOM 760 H LYS B 29 -11.091 2.412 -5.961 1.00 0.00 H ATOM 761 HA LYS B 29 -11.692 3.028 -8.166 1.00 0.00 H ATOM 762 HB2 LYS B 29 -13.822 3.832 -6.437 1.00 0.00 H ATOM 763 HB3 LYS B 29 -13.567 5.124 -7.610 1.00 0.00 H ATOM 764 HG2 LYS B 29 -14.312 3.860 -9.340 1.00 0.00 H ATOM 765 HG3 LYS B 29 -13.467 2.419 -8.769 1.00 0.00 H ATOM 766 HD2 LYS B 29 -15.742 1.848 -8.523 1.00 0.00 H ATOM 767 HD3 LYS B 29 -15.271 2.364 -6.903 1.00 0.00 H ATOM 768 HE2 LYS B 29 -16.029 4.750 -8.093 1.00 0.00 H ATOM 769 HE3 LYS B 29 -17.202 3.586 -8.743 1.00 0.00 H ATOM 770 HZ1 LYS B 29 -16.441 3.679 -5.878 1.00 0.00 H ATOM 771 HZ2 LYS B 29 -17.769 4.537 -6.501 1.00 0.00 H ATOM 772 HZ3 LYS B 29 -17.737 2.840 -6.582 1.00 0.00 H ATOM 773 N THR B 30 -10.747 5.274 -8.921 1.00 0.00 N ATOM 774 CA THR B 30 -9.970 6.501 -9.257 1.00 0.00 C ATOM 775 C THR B 30 -10.580 7.717 -8.556 1.00 0.00 C ATOM 776 O THR B 30 -9.824 8.503 -8.011 1.00 0.00 O ATOM 777 CB THR B 30 -10.091 6.638 -10.775 1.00 0.00 C ATOM 778 OG1 THR B 30 -10.127 5.346 -11.365 1.00 0.00 O ATOM 779 CG2 THR B 30 -8.890 7.416 -11.316 1.00 0.00 C ATOM 780 OXT THR B 30 -11.793 7.839 -8.576 1.00 0.00 O ATOM 781 H THR B 30 -10.987 4.638 -9.627 1.00 0.00 H ATOM 782 HA THR B 30 -8.936 6.381 -8.978 1.00 0.00 H ATOM 783 HB THR B 30 -10.998 7.171 -11.018 1.00 0.00 H ATOM 784 HG1 THR B 30 -9.239 4.981 -11.335 1.00 0.00 H ATOM 785 HG21 THR B 30 -7.978 6.919 -11.022 1.00 0.00 H ATOM 786 HG22 THR B 30 -8.946 7.459 -12.393 1.00 0.00 H ATOM 787 HG23 THR B 30 -8.901 8.418 -10.915 1.00 0.00 H TER 788 THR B 30 ENDMDL MODEL 3 ATOM 1 N GLY A 1 -5.892 6.862 2.041 1.00 0.00 N ATOM 2 CA GLY A 1 -5.843 5.428 1.636 1.00 0.00 C ATOM 3 C GLY A 1 -4.649 5.196 0.711 1.00 0.00 C ATOM 4 O GLY A 1 -3.820 6.065 0.519 1.00 0.00 O ATOM 5 H1 GLY A 1 -5.323 7.429 1.381 1.00 0.00 H ATOM 6 H2 GLY A 1 -6.876 7.195 2.021 1.00 0.00 H ATOM 7 H3 GLY A 1 -5.510 6.962 3.003 1.00 0.00 H ATOM 8 HA2 GLY A 1 -5.744 4.810 2.518 1.00 0.00 H ATOM 9 HA3 GLY A 1 -6.752 5.170 1.116 1.00 0.00 H ATOM 10 N ILE A 2 -4.552 4.028 0.136 1.00 0.00 N ATOM 11 CA ILE A 2 -3.409 3.731 -0.780 1.00 0.00 C ATOM 12 C ILE A 2 -3.657 4.322 -2.180 1.00 0.00 C ATOM 13 O ILE A 2 -3.065 3.906 -3.152 1.00 0.00 O ATOM 14 CB ILE A 2 -3.345 2.200 -0.825 1.00 0.00 C ATOM 15 CG1 ILE A 2 -2.103 1.745 -1.608 1.00 0.00 C ATOM 16 CG2 ILE A 2 -4.615 1.648 -1.472 1.00 0.00 C ATOM 17 CD1 ILE A 2 -2.294 0.316 -2.132 1.00 0.00 C ATOM 18 H ILE A 2 -5.230 3.340 0.309 1.00 0.00 H ATOM 19 HA ILE A 2 -2.492 4.120 -0.368 1.00 0.00 H ATOM 20 HB ILE A 2 -3.279 1.828 0.179 1.00 0.00 H ATOM 21 HG12 ILE A 2 -1.933 2.409 -2.436 1.00 0.00 H ATOM 22 HG13 ILE A 2 -1.248 1.770 -0.953 1.00 0.00 H ATOM 23 HG21 ILE A 2 -5.463 2.244 -1.167 1.00 0.00 H ATOM 24 HG22 ILE A 2 -4.518 1.682 -2.546 1.00 0.00 H ATOM 25 HG23 ILE A 2 -4.762 0.625 -1.154 1.00 0.00 H ATOM 26 HD11 ILE A 2 -2.779 -0.283 -1.375 1.00 0.00 H ATOM 27 HD12 ILE A 2 -2.906 0.338 -3.021 1.00 0.00 H ATOM 28 HD13 ILE A 2 -1.331 -0.111 -2.368 1.00 0.00 H ATOM 29 N VAL A 3 -4.521 5.297 -2.298 1.00 0.00 N ATOM 30 CA VAL A 3 -4.773 5.894 -3.638 1.00 0.00 C ATOM 31 C VAL A 3 -4.110 7.271 -3.738 1.00 0.00 C ATOM 32 O VAL A 3 -3.795 7.742 -4.813 1.00 0.00 O ATOM 33 CB VAL A 3 -6.295 6.016 -3.746 1.00 0.00 C ATOM 34 CG1 VAL A 3 -6.676 6.409 -5.175 1.00 0.00 C ATOM 35 CG2 VAL A 3 -6.943 4.669 -3.402 1.00 0.00 C ATOM 36 H VAL A 3 -4.992 5.639 -1.514 1.00 0.00 H ATOM 37 HA VAL A 3 -4.402 5.245 -4.412 1.00 0.00 H ATOM 38 HB VAL A 3 -6.645 6.772 -3.059 1.00 0.00 H ATOM 39 HG11 VAL A 3 -6.025 5.903 -5.873 1.00 0.00 H ATOM 40 HG12 VAL A 3 -7.700 6.122 -5.367 1.00 0.00 H ATOM 41 HG13 VAL A 3 -6.573 7.477 -5.294 1.00 0.00 H ATOM 42 HG21 VAL A 3 -6.489 3.889 -3.996 1.00 0.00 H ATOM 43 HG22 VAL A 3 -6.797 4.456 -2.354 1.00 0.00 H ATOM 44 HG23 VAL A 3 -8.001 4.714 -3.616 1.00 0.00 H ATOM 45 N GLU A 4 -3.903 7.925 -2.627 1.00 0.00 N ATOM 46 CA GLU A 4 -3.267 9.278 -2.663 1.00 0.00 C ATOM 47 C GLU A 4 -1.821 9.213 -2.165 1.00 0.00 C ATOM 48 O GLU A 4 -1.121 10.207 -2.145 1.00 0.00 O ATOM 49 CB GLU A 4 -4.103 10.162 -1.724 1.00 0.00 C ATOM 50 CG GLU A 4 -5.563 9.703 -1.717 1.00 0.00 C ATOM 51 CD GLU A 4 -6.483 10.924 -1.654 1.00 0.00 C ATOM 52 OE1 GLU A 4 -6.435 11.726 -2.570 1.00 0.00 O ATOM 53 OE2 GLU A 4 -7.222 11.035 -0.688 1.00 0.00 O ATOM 54 H GLU A 4 -4.169 7.533 -1.768 1.00 0.00 H ATOM 55 HA GLU A 4 -3.297 9.676 -3.666 1.00 0.00 H ATOM 56 HB2 GLU A 4 -3.704 10.095 -0.723 1.00 0.00 H ATOM 57 HB3 GLU A 4 -4.054 11.187 -2.060 1.00 0.00 H ATOM 58 HG2 GLU A 4 -5.766 9.140 -2.617 1.00 0.00 H ATOM 59 HG3 GLU A 4 -5.739 9.078 -0.854 1.00 0.00 H ATOM 60 N GLN A 5 -1.364 8.066 -1.748 1.00 0.00 N ATOM 61 CA GLN A 5 0.037 7.984 -1.244 1.00 0.00 C ATOM 62 C GLN A 5 1.006 7.717 -2.405 1.00 0.00 C ATOM 63 O GLN A 5 2.097 8.249 -2.437 1.00 0.00 O ATOM 64 CB GLN A 5 0.043 6.840 -0.217 1.00 0.00 C ATOM 65 CG GLN A 5 0.880 7.253 0.995 1.00 0.00 C ATOM 66 CD GLN A 5 0.075 8.225 1.859 1.00 0.00 C ATOM 67 OE1 GLN A 5 0.529 9.312 2.155 1.00 0.00 O ATOM 68 NE2 GLN A 5 -1.111 7.876 2.276 1.00 0.00 N ATOM 69 H GLN A 5 -1.940 7.272 -1.756 1.00 0.00 H ATOM 70 HA GLN A 5 0.301 8.908 -0.755 1.00 0.00 H ATOM 71 HB2 GLN A 5 -0.969 6.635 0.098 1.00 0.00 H ATOM 72 HB3 GLN A 5 0.471 5.950 -0.652 1.00 0.00 H ATOM 73 HG2 GLN A 5 1.129 6.376 1.575 1.00 0.00 H ATOM 74 HG3 GLN A 5 1.786 7.735 0.661 1.00 0.00 H ATOM 75 HE21 GLN A 5 -1.476 6.998 2.038 1.00 0.00 H ATOM 76 HE22 GLN A 5 -1.637 8.492 2.828 1.00 0.00 H ATOM 77 N CYS A 6 0.627 6.909 -3.363 1.00 0.00 N ATOM 78 CA CYS A 6 1.549 6.640 -4.507 1.00 0.00 C ATOM 79 C CYS A 6 1.217 7.536 -5.708 1.00 0.00 C ATOM 80 O CYS A 6 2.056 8.265 -6.166 1.00 0.00 O ATOM 81 CB CYS A 6 1.402 5.140 -4.852 1.00 0.00 C ATOM 82 SG CYS A 6 1.121 4.177 -3.357 1.00 0.00 S ATOM 83 H CYS A 6 -0.250 6.481 -3.331 1.00 0.00 H ATOM 84 HA CYS A 6 2.566 6.835 -4.210 1.00 0.00 H ATOM 85 HB2 CYS A 6 0.596 4.979 -5.544 1.00 0.00 H ATOM 86 HB3 CYS A 6 2.319 4.796 -5.305 1.00 0.00 H ATOM 87 N CYS A 7 0.027 7.515 -6.229 1.00 0.00 N ATOM 88 CA CYS A 7 -0.251 8.397 -7.407 1.00 0.00 C ATOM 89 C CYS A 7 -0.018 9.845 -7.022 1.00 0.00 C ATOM 90 O CYS A 7 0.514 10.639 -7.773 1.00 0.00 O ATOM 91 CB CYS A 7 -1.724 8.182 -7.721 1.00 0.00 C ATOM 92 SG CYS A 7 -2.141 8.843 -9.357 1.00 0.00 S ATOM 93 H CYS A 7 -0.677 6.943 -5.856 1.00 0.00 H ATOM 94 HA CYS A 7 0.363 8.117 -8.246 1.00 0.00 H ATOM 95 HB2 CYS A 7 -1.943 7.138 -7.684 1.00 0.00 H ATOM 96 HB3 CYS A 7 -2.305 8.687 -6.984 1.00 0.00 H ATOM 97 N THR A 8 -0.445 10.184 -5.852 1.00 0.00 N ATOM 98 CA THR A 8 -0.302 11.576 -5.363 1.00 0.00 C ATOM 99 C THR A 8 0.984 11.738 -4.532 1.00 0.00 C ATOM 100 O THR A 8 1.116 12.667 -3.760 1.00 0.00 O ATOM 101 CB THR A 8 -1.562 11.759 -4.511 1.00 0.00 C ATOM 102 OG1 THR A 8 -2.645 12.122 -5.355 1.00 0.00 O ATOM 103 CG2 THR A 8 -1.356 12.850 -3.458 1.00 0.00 C ATOM 104 H THR A 8 -0.886 9.512 -5.292 1.00 0.00 H ATOM 105 HA THR A 8 -0.312 12.270 -6.188 1.00 0.00 H ATOM 106 HB THR A 8 -1.791 10.822 -4.020 1.00 0.00 H ATOM 107 HG1 THR A 8 -3.435 11.683 -5.032 1.00 0.00 H ATOM 108 HG21 THR A 8 -0.844 13.690 -3.905 1.00 0.00 H ATOM 109 HG22 THR A 8 -2.315 13.173 -3.080 1.00 0.00 H ATOM 110 HG23 THR A 8 -0.762 12.459 -2.646 1.00 0.00 H ATOM 111 N SER A 9 1.951 10.860 -4.692 1.00 0.00 N ATOM 112 CA SER A 9 3.220 11.004 -3.900 1.00 0.00 C ATOM 113 C SER A 9 4.047 9.716 -3.955 1.00 0.00 C ATOM 114 O SER A 9 3.727 8.786 -4.665 1.00 0.00 O ATOM 115 CB SER A 9 2.780 11.283 -2.457 1.00 0.00 C ATOM 116 OG SER A 9 3.650 10.611 -1.555 1.00 0.00 O ATOM 117 H SER A 9 1.852 10.120 -5.339 1.00 0.00 H ATOM 118 HA SER A 9 3.798 11.835 -4.271 1.00 0.00 H ATOM 119 HB2 SER A 9 2.822 12.342 -2.265 1.00 0.00 H ATOM 120 HB3 SER A 9 1.763 10.937 -2.318 1.00 0.00 H ATOM 121 HG SER A 9 3.490 10.958 -0.673 1.00 0.00 H ATOM 122 N ILE A 10 5.112 9.660 -3.203 1.00 0.00 N ATOM 123 CA ILE A 10 5.969 8.440 -3.199 1.00 0.00 C ATOM 124 C ILE A 10 5.603 7.531 -2.023 1.00 0.00 C ATOM 125 O ILE A 10 5.946 7.808 -0.892 1.00 0.00 O ATOM 126 CB ILE A 10 7.398 8.959 -3.024 1.00 0.00 C ATOM 127 CG1 ILE A 10 7.618 10.189 -3.904 1.00 0.00 C ATOM 128 CG2 ILE A 10 8.388 7.868 -3.428 1.00 0.00 C ATOM 129 CD1 ILE A 10 7.107 9.894 -5.310 1.00 0.00 C ATOM 130 H ILE A 10 5.350 10.425 -2.639 1.00 0.00 H ATOM 131 HA ILE A 10 5.879 7.909 -4.134 1.00 0.00 H ATOM 132 HB ILE A 10 7.558 9.221 -1.988 1.00 0.00 H ATOM 133 HG12 ILE A 10 7.080 11.031 -3.492 1.00 0.00 H ATOM 134 HG13 ILE A 10 8.673 10.419 -3.946 1.00 0.00 H ATOM 135 HG21 ILE A 10 7.973 7.291 -4.239 1.00 0.00 H ATOM 136 HG22 ILE A 10 9.313 8.325 -3.747 1.00 0.00 H ATOM 137 HG23 ILE A 10 8.578 7.222 -2.584 1.00 0.00 H ATOM 138 HD11 ILE A 10 7.280 8.854 -5.540 1.00 0.00 H ATOM 139 HD12 ILE A 10 6.049 10.100 -5.357 1.00 0.00 H ATOM 140 HD13 ILE A 10 7.630 10.513 -6.023 1.00 0.00 H ATOM 141 N CYS A 11 4.938 6.436 -2.273 1.00 0.00 N ATOM 142 CA CYS A 11 4.599 5.518 -1.138 1.00 0.00 C ATOM 143 C CYS A 11 5.556 4.323 -1.180 1.00 0.00 C ATOM 144 O CYS A 11 6.089 3.991 -2.221 1.00 0.00 O ATOM 145 CB CYS A 11 3.133 5.104 -1.341 1.00 0.00 C ATOM 146 SG CYS A 11 2.998 3.911 -2.691 1.00 0.00 S ATOM 147 H CYS A 11 4.685 6.209 -3.194 1.00 0.00 H ATOM 148 HA CYS A 11 4.705 6.041 -0.199 1.00 0.00 H ATOM 149 HB2 CYS A 11 2.750 4.659 -0.441 1.00 0.00 H ATOM 150 HB3 CYS A 11 2.545 5.975 -1.567 1.00 0.00 H ATOM 151 N SER A 12 5.826 3.696 -0.065 1.00 0.00 N ATOM 152 CA SER A 12 6.801 2.563 -0.087 1.00 0.00 C ATOM 153 C SER A 12 6.142 1.197 -0.077 1.00 0.00 C ATOM 154 O SER A 12 4.935 1.055 -0.035 1.00 0.00 O ATOM 155 CB SER A 12 7.654 2.719 1.163 1.00 0.00 C ATOM 156 OG SER A 12 7.008 3.597 2.076 1.00 0.00 O ATOM 157 H SER A 12 5.416 3.985 0.781 1.00 0.00 H ATOM 158 HA SER A 12 7.436 2.650 -0.954 1.00 0.00 H ATOM 159 HB2 SER A 12 7.776 1.757 1.631 1.00 0.00 H ATOM 160 HB3 SER A 12 8.620 3.098 0.884 1.00 0.00 H ATOM 161 HG SER A 12 6.607 3.064 2.767 1.00 0.00 H ATOM 162 N LEU A 13 6.964 0.190 -0.100 1.00 0.00 N ATOM 163 CA LEU A 13 6.442 -1.209 -0.087 1.00 0.00 C ATOM 164 C LEU A 13 5.997 -1.582 1.321 1.00 0.00 C ATOM 165 O LEU A 13 5.228 -2.502 1.518 1.00 0.00 O ATOM 166 CB LEU A 13 7.574 -2.136 -0.574 1.00 0.00 C ATOM 167 CG LEU A 13 8.955 -1.668 -0.091 1.00 0.00 C ATOM 168 CD1 LEU A 13 8.947 -1.451 1.423 1.00 0.00 C ATOM 169 CD2 LEU A 13 9.992 -2.739 -0.436 1.00 0.00 C ATOM 170 H LEU A 13 7.929 0.370 -0.112 1.00 0.00 H ATOM 171 HA LEU A 13 5.603 -1.284 -0.760 1.00 0.00 H ATOM 172 HB2 LEU A 13 7.395 -3.132 -0.201 1.00 0.00 H ATOM 173 HB3 LEU A 13 7.568 -2.158 -1.651 1.00 0.00 H ATOM 174 HG LEU A 13 9.220 -0.747 -0.587 1.00 0.00 H ATOM 175 HD11 LEU A 13 8.197 -2.084 1.876 1.00 0.00 H ATOM 176 HD12 LEU A 13 9.917 -1.701 1.827 1.00 0.00 H ATOM 177 HD13 LEU A 13 8.727 -0.418 1.636 1.00 0.00 H ATOM 178 HD21 LEU A 13 9.588 -3.715 -0.212 1.00 0.00 H ATOM 179 HD22 LEU A 13 10.232 -2.682 -1.488 1.00 0.00 H ATOM 180 HD23 LEU A 13 10.887 -2.576 0.146 1.00 0.00 H ATOM 181 N TYR A 14 6.444 -0.853 2.300 1.00 0.00 N ATOM 182 CA TYR A 14 6.014 -1.143 3.689 1.00 0.00 C ATOM 183 C TYR A 14 4.751 -0.336 3.960 1.00 0.00 C ATOM 184 O TYR A 14 3.912 -0.711 4.755 1.00 0.00 O ATOM 185 CB TYR A 14 7.166 -0.689 4.586 1.00 0.00 C ATOM 186 CG TYR A 14 7.002 -1.300 5.958 1.00 0.00 C ATOM 187 CD1 TYR A 14 7.335 -2.645 6.172 1.00 0.00 C ATOM 188 CD2 TYR A 14 6.516 -0.522 7.018 1.00 0.00 C ATOM 189 CE1 TYR A 14 7.182 -3.210 7.444 1.00 0.00 C ATOM 190 CE2 TYR A 14 6.363 -1.088 8.290 1.00 0.00 C ATOM 191 CZ TYR A 14 6.696 -2.433 8.503 1.00 0.00 C ATOM 192 OH TYR A 14 6.546 -2.992 9.755 1.00 0.00 O ATOM 193 H TYR A 14 7.036 -0.097 2.118 1.00 0.00 H ATOM 194 HA TYR A 14 5.829 -2.199 3.817 1.00 0.00 H ATOM 195 HB2 TYR A 14 8.104 -1.013 4.158 1.00 0.00 H ATOM 196 HB3 TYR A 14 7.158 0.386 4.668 1.00 0.00 H ATOM 197 HD1 TYR A 14 7.709 -3.247 5.356 1.00 0.00 H ATOM 198 HD2 TYR A 14 6.259 0.514 6.853 1.00 0.00 H ATOM 199 HE1 TYR A 14 7.438 -4.246 7.608 1.00 0.00 H ATOM 200 HE2 TYR A 14 5.988 -0.489 9.107 1.00 0.00 H ATOM 201 HH TYR A 14 7.120 -3.760 9.807 1.00 0.00 H ATOM 202 N GLN A 15 4.596 0.760 3.262 1.00 0.00 N ATOM 203 CA GLN A 15 3.371 1.579 3.434 1.00 0.00 C ATOM 204 C GLN A 15 2.237 0.877 2.689 1.00 0.00 C ATOM 205 O GLN A 15 1.123 0.773 3.169 1.00 0.00 O ATOM 206 CB GLN A 15 3.707 2.945 2.820 1.00 0.00 C ATOM 207 CG GLN A 15 3.556 4.028 3.890 1.00 0.00 C ATOM 208 CD GLN A 15 2.905 5.270 3.277 1.00 0.00 C ATOM 209 OE1 GLN A 15 1.878 5.723 3.741 1.00 0.00 O ATOM 210 NE2 GLN A 15 3.463 5.844 2.245 1.00 0.00 N ATOM 211 H GLN A 15 5.274 1.022 2.602 1.00 0.00 H ATOM 212 HA GLN A 15 3.129 1.685 4.481 1.00 0.00 H ATOM 213 HB2 GLN A 15 4.725 2.935 2.461 1.00 0.00 H ATOM 214 HB3 GLN A 15 3.039 3.159 1.999 1.00 0.00 H ATOM 215 HG2 GLN A 15 2.935 3.655 4.691 1.00 0.00 H ATOM 216 HG3 GLN A 15 4.528 4.288 4.280 1.00 0.00 H ATOM 217 HE21 GLN A 15 4.292 5.480 1.871 1.00 0.00 H ATOM 218 HE22 GLN A 15 3.054 6.641 1.848 1.00 0.00 H ATOM 219 N LEU A 16 2.535 0.337 1.535 1.00 0.00 N ATOM 220 CA LEU A 16 1.503 -0.414 0.775 1.00 0.00 C ATOM 221 C LEU A 16 1.292 -1.759 1.469 1.00 0.00 C ATOM 222 O LEU A 16 0.301 -2.436 1.271 1.00 0.00 O ATOM 223 CB LEU A 16 2.097 -0.608 -0.623 1.00 0.00 C ATOM 224 CG LEU A 16 1.016 -0.369 -1.678 1.00 0.00 C ATOM 225 CD1 LEU A 16 0.810 1.134 -1.859 1.00 0.00 C ATOM 226 CD2 LEU A 16 1.453 -0.980 -3.010 1.00 0.00 C ATOM 227 H LEU A 16 3.452 0.390 1.190 1.00 0.00 H ATOM 228 HA LEU A 16 0.582 0.143 0.724 1.00 0.00 H ATOM 229 HB2 LEU A 16 2.905 0.093 -0.771 1.00 0.00 H ATOM 230 HB3 LEU A 16 2.473 -1.616 -0.718 1.00 0.00 H ATOM 231 HG LEU A 16 0.091 -0.824 -1.355 1.00 0.00 H ATOM 232 HD11 LEU A 16 0.570 1.581 -0.907 1.00 0.00 H ATOM 233 HD12 LEU A 16 1.715 1.576 -2.246 1.00 0.00 H ATOM 234 HD13 LEU A 16 0.000 1.305 -2.554 1.00 0.00 H ATOM 235 HD21 LEU A 16 2.419 -1.449 -2.892 1.00 0.00 H ATOM 236 HD22 LEU A 16 0.729 -1.717 -3.322 1.00 0.00 H ATOM 237 HD23 LEU A 16 1.520 -0.203 -3.758 1.00 0.00 H ATOM 238 N GLU A 17 2.230 -2.138 2.296 1.00 0.00 N ATOM 239 CA GLU A 17 2.121 -3.423 3.035 1.00 0.00 C ATOM 240 C GLU A 17 0.811 -3.469 3.804 1.00 0.00 C ATOM 241 O GLU A 17 0.224 -4.517 3.998 1.00 0.00 O ATOM 242 CB GLU A 17 3.289 -3.396 4.010 1.00 0.00 C ATOM 243 CG GLU A 17 3.833 -4.808 4.207 1.00 0.00 C ATOM 244 CD GLU A 17 2.692 -5.753 4.587 1.00 0.00 C ATOM 245 OE1 GLU A 17 1.881 -5.370 5.413 1.00 0.00 O ATOM 246 OE2 GLU A 17 2.650 -6.848 4.048 1.00 0.00 O ATOM 247 H GLU A 17 3.011 -1.564 2.440 1.00 0.00 H ATOM 248 HA GLU A 17 2.210 -4.263 2.366 1.00 0.00 H ATOM 249 HB2 GLU A 17 4.063 -2.756 3.618 1.00 0.00 H ATOM 250 HB3 GLU A 17 2.952 -3.008 4.960 1.00 0.00 H ATOM 251 HG2 GLU A 17 4.297 -5.148 3.291 1.00 0.00 H ATOM 252 HG3 GLU A 17 4.563 -4.797 4.997 1.00 0.00 H ATOM 253 N ASN A 18 0.346 -2.337 4.246 1.00 0.00 N ATOM 254 CA ASN A 18 -0.932 -2.302 5.017 1.00 0.00 C ATOM 255 C ASN A 18 -2.142 -2.606 4.119 1.00 0.00 C ATOM 256 O ASN A 18 -3.216 -2.083 4.331 1.00 0.00 O ATOM 257 CB ASN A 18 -1.019 -0.876 5.559 1.00 0.00 C ATOM 258 CG ASN A 18 -0.459 -0.838 6.981 1.00 0.00 C ATOM 259 OD1 ASN A 18 0.168 -1.779 7.426 1.00 0.00 O ATOM 260 ND2 ASN A 18 -0.661 0.218 7.722 1.00 0.00 N ATOM 261 H ASN A 18 0.842 -1.508 4.076 1.00 0.00 H ATOM 262 HA ASN A 18 -0.891 -3.000 5.837 1.00 0.00 H ATOM 263 HB2 ASN A 18 -0.446 -0.214 4.927 1.00 0.00 H ATOM 264 HB3 ASN A 18 -2.051 -0.559 5.572 1.00 0.00 H ATOM 265 HD21 ASN A 18 -1.166 0.978 7.365 1.00 0.00 H ATOM 266 HD22 ASN A 18 -0.306 0.251 8.635 1.00 0.00 H ATOM 267 N TYR A 19 -1.993 -3.445 3.123 1.00 0.00 N ATOM 268 CA TYR A 19 -3.161 -3.754 2.249 1.00 0.00 C ATOM 269 C TYR A 19 -3.155 -5.224 1.804 1.00 0.00 C ATOM 270 O TYR A 19 -4.117 -5.702 1.242 1.00 0.00 O ATOM 271 CB TYR A 19 -3.018 -2.825 1.043 1.00 0.00 C ATOM 272 CG TYR A 19 -3.236 -1.397 1.485 1.00 0.00 C ATOM 273 CD1 TYR A 19 -4.535 -0.874 1.544 1.00 0.00 C ATOM 274 CD2 TYR A 19 -2.142 -0.596 1.835 1.00 0.00 C ATOM 275 CE1 TYR A 19 -4.739 0.450 1.956 1.00 0.00 C ATOM 276 CE2 TYR A 19 -2.346 0.727 2.248 1.00 0.00 C ATOM 277 CZ TYR A 19 -3.645 1.251 2.310 1.00 0.00 C ATOM 278 OH TYR A 19 -3.845 2.555 2.715 1.00 0.00 O ATOM 279 H TYR A 19 -1.129 -3.865 2.954 1.00 0.00 H ATOM 280 HA TYR A 19 -4.078 -3.531 2.768 1.00 0.00 H ATOM 281 HB2 TYR A 19 -2.029 -2.927 0.620 1.00 0.00 H ATOM 282 HB3 TYR A 19 -3.756 -3.085 0.300 1.00 0.00 H ATOM 283 HD1 TYR A 19 -5.378 -1.490 1.272 1.00 0.00 H ATOM 284 HD2 TYR A 19 -1.142 -0.999 1.790 1.00 0.00 H ATOM 285 HE1 TYR A 19 -5.739 0.855 1.995 1.00 0.00 H ATOM 286 HE2 TYR A 19 -1.501 1.347 2.511 1.00 0.00 H ATOM 287 HH TYR A 19 -4.766 2.650 2.968 1.00 0.00 H ATOM 288 N CYS A 20 -2.095 -5.954 2.047 1.00 0.00 N ATOM 289 CA CYS A 20 -2.081 -7.383 1.625 1.00 0.00 C ATOM 290 C CYS A 20 -3.199 -8.145 2.342 1.00 0.00 C ATOM 291 O CYS A 20 -4.198 -8.505 1.750 1.00 0.00 O ATOM 292 CB CYS A 20 -0.710 -7.921 2.041 1.00 0.00 C ATOM 293 SG CYS A 20 0.580 -6.812 1.448 1.00 0.00 S ATOM 294 H CYS A 20 -1.322 -5.571 2.503 1.00 0.00 H ATOM 295 HA CYS A 20 -2.200 -7.460 0.555 1.00 0.00 H ATOM 296 HB2 CYS A 20 -0.655 -7.985 3.111 1.00 0.00 H ATOM 297 HB3 CYS A 20 -0.562 -8.898 1.608 1.00 0.00 H ATOM 298 N ASN A 21 -3.045 -8.388 3.616 1.00 0.00 N ATOM 299 CA ASN A 21 -4.100 -9.122 4.371 1.00 0.00 C ATOM 300 C ASN A 21 -5.432 -8.369 4.284 1.00 0.00 C ATOM 301 O ASN A 21 -5.399 -7.151 4.236 1.00 0.00 O ATOM 302 CB ASN A 21 -3.599 -9.155 5.815 1.00 0.00 C ATOM 303 CG ASN A 21 -3.312 -7.729 6.285 1.00 0.00 C ATOM 304 OD1 ASN A 21 -2.317 -7.140 5.908 1.00 0.00 O ATOM 305 ND2 ASN A 21 -4.148 -7.145 7.098 1.00 0.00 N ATOM 306 OXT ASN A 21 -6.461 -9.025 4.271 1.00 0.00 O ATOM 307 H ASN A 21 -2.236 -8.087 4.076 1.00 0.00 H ATOM 308 HA ASN A 21 -4.207 -10.126 3.995 1.00 0.00 H ATOM 309 HB2 ASN A 21 -4.356 -9.597 6.448 1.00 0.00 H ATOM 310 HB3 ASN A 21 -2.694 -9.740 5.870 1.00 0.00 H ATOM 311 HD21 ASN A 21 -4.948 -7.621 7.403 1.00 0.00 H ATOM 312 HD22 ASN A 21 -3.978 -6.229 7.402 1.00 0.00 H TER 313 ASN A 21 ATOM 314 N PHE B 1 9.260 -2.433 -8.503 1.00 0.00 N ATOM 315 CA PHE B 1 8.806 -1.411 -7.514 1.00 0.00 C ATOM 316 C PHE B 1 9.934 -0.412 -7.233 1.00 0.00 C ATOM 317 O PHE B 1 11.087 -0.779 -7.125 1.00 0.00 O ATOM 318 CB PHE B 1 8.459 -2.211 -6.252 1.00 0.00 C ATOM 319 CG PHE B 1 8.460 -1.296 -5.050 1.00 0.00 C ATOM 320 CD1 PHE B 1 7.485 -0.297 -4.928 1.00 0.00 C ATOM 321 CD2 PHE B 1 9.440 -1.444 -4.061 1.00 0.00 C ATOM 322 CE1 PHE B 1 7.491 0.554 -3.814 1.00 0.00 C ATOM 323 CE2 PHE B 1 9.447 -0.594 -2.948 1.00 0.00 C ATOM 324 CZ PHE B 1 8.473 0.405 -2.824 1.00 0.00 C ATOM 325 H1 PHE B 1 10.105 -2.917 -8.137 1.00 0.00 H ATOM 326 H2 PHE B 1 8.502 -3.128 -8.657 1.00 0.00 H ATOM 327 H3 PHE B 1 9.493 -1.967 -9.402 1.00 0.00 H ATOM 328 HA PHE B 1 7.930 -0.900 -7.879 1.00 0.00 H ATOM 329 HB2 PHE B 1 7.480 -2.655 -6.365 1.00 0.00 H ATOM 330 HB3 PHE B 1 9.192 -2.991 -6.109 1.00 0.00 H ATOM 331 HD1 PHE B 1 6.729 -0.184 -5.690 1.00 0.00 H ATOM 332 HD2 PHE B 1 10.192 -2.214 -4.156 1.00 0.00 H ATOM 333 HE1 PHE B 1 6.740 1.325 -3.719 1.00 0.00 H ATOM 334 HE2 PHE B 1 10.203 -0.709 -2.185 1.00 0.00 H ATOM 335 HZ PHE B 1 8.478 1.061 -1.966 1.00 0.00 H ATOM 336 N VAL B 2 9.612 0.848 -7.109 1.00 0.00 N ATOM 337 CA VAL B 2 10.669 1.861 -6.832 1.00 0.00 C ATOM 338 C VAL B 2 10.073 3.075 -6.113 1.00 0.00 C ATOM 339 O VAL B 2 8.948 3.466 -6.354 1.00 0.00 O ATOM 340 CB VAL B 2 11.207 2.260 -8.208 1.00 0.00 C ATOM 341 CG1 VAL B 2 11.702 1.015 -8.947 1.00 0.00 C ATOM 342 CG2 VAL B 2 10.090 2.920 -9.021 1.00 0.00 C ATOM 343 H VAL B 2 8.678 1.127 -7.196 1.00 0.00 H ATOM 344 HA VAL B 2 11.460 1.426 -6.243 1.00 0.00 H ATOM 345 HB VAL B 2 12.024 2.955 -8.086 1.00 0.00 H ATOM 346 HG11 VAL B 2 12.349 0.445 -8.297 1.00 0.00 H ATOM 347 HG12 VAL B 2 10.857 0.408 -9.235 1.00 0.00 H ATOM 348 HG13 VAL B 2 12.249 1.314 -9.828 1.00 0.00 H ATOM 349 HG21 VAL B 2 9.224 3.064 -8.392 1.00 0.00 H ATOM 350 HG22 VAL B 2 10.431 3.877 -9.390 1.00 0.00 H ATOM 351 HG23 VAL B 2 9.829 2.285 -9.854 1.00 0.00 H ATOM 352 N ASN B 3 10.826 3.675 -5.232 1.00 0.00 N ATOM 353 CA ASN B 3 10.316 4.869 -4.491 1.00 0.00 C ATOM 354 C ASN B 3 9.751 5.900 -5.473 1.00 0.00 C ATOM 355 O ASN B 3 10.461 6.760 -5.956 1.00 0.00 O ATOM 356 CB ASN B 3 11.546 5.433 -3.776 1.00 0.00 C ATOM 357 CG ASN B 3 12.595 5.840 -4.812 1.00 0.00 C ATOM 358 OD1 ASN B 3 13.093 5.012 -5.549 1.00 0.00 O ATOM 359 ND2 ASN B 3 12.956 7.092 -4.901 1.00 0.00 N ATOM 360 H ASN B 3 11.729 3.341 -5.056 1.00 0.00 H ATOM 361 HA ASN B 3 9.569 4.578 -3.770 1.00 0.00 H ATOM 362 HB2 ASN B 3 11.260 6.297 -3.193 1.00 0.00 H ATOM 363 HB3 ASN B 3 11.961 4.680 -3.124 1.00 0.00 H ATOM 364 HD21 ASN B 3 12.556 7.762 -4.308 1.00 0.00 H ATOM 365 HD22 ASN B 3 13.629 7.362 -5.561 1.00 0.00 H ATOM 366 N GLN B 4 8.483 5.821 -5.781 1.00 0.00 N ATOM 367 CA GLN B 4 7.890 6.794 -6.740 1.00 0.00 C ATOM 368 C GLN B 4 6.356 6.832 -6.591 1.00 0.00 C ATOM 369 O GLN B 4 5.800 6.306 -5.632 1.00 0.00 O ATOM 370 CB GLN B 4 8.304 6.249 -8.113 1.00 0.00 C ATOM 371 CG GLN B 4 8.186 7.350 -9.168 1.00 0.00 C ATOM 372 CD GLN B 4 9.530 7.532 -9.878 1.00 0.00 C ATOM 373 OE1 GLN B 4 10.152 6.570 -10.283 1.00 0.00 O ATOM 374 NE2 GLN B 4 10.007 8.736 -10.046 1.00 0.00 N ATOM 375 H GLN B 4 7.925 5.119 -5.391 1.00 0.00 H ATOM 376 HA GLN B 4 8.313 7.775 -6.594 1.00 0.00 H ATOM 377 HB2 GLN B 4 9.329 5.909 -8.063 1.00 0.00 H ATOM 378 HB3 GLN B 4 7.667 5.417 -8.381 1.00 0.00 H ATOM 379 HG2 GLN B 4 7.431 7.075 -9.891 1.00 0.00 H ATOM 380 HG3 GLN B 4 7.906 8.277 -8.690 1.00 0.00 H ATOM 381 HE21 GLN B 4 9.508 9.512 -9.718 1.00 0.00 H ATOM 382 HE22 GLN B 4 10.867 8.863 -10.501 1.00 0.00 H ATOM 383 N HIS B 5 5.667 7.442 -7.529 1.00 0.00 N ATOM 384 CA HIS B 5 4.177 7.492 -7.455 1.00 0.00 C ATOM 385 C HIS B 5 3.617 6.275 -8.206 1.00 0.00 C ATOM 386 O HIS B 5 4.116 5.907 -9.251 1.00 0.00 O ATOM 387 CB HIS B 5 3.749 8.803 -8.147 1.00 0.00 C ATOM 388 CG HIS B 5 4.785 9.878 -7.951 1.00 0.00 C ATOM 389 ND1 HIS B 5 4.671 10.835 -6.956 1.00 0.00 N ATOM 390 CD2 HIS B 5 5.943 10.174 -8.625 1.00 0.00 C ATOM 391 CE1 HIS B 5 5.732 11.654 -7.056 1.00 0.00 C ATOM 392 NE2 HIS B 5 6.541 11.297 -8.058 1.00 0.00 N ATOM 393 H HIS B 5 6.128 7.857 -8.284 1.00 0.00 H ATOM 394 HA HIS B 5 3.862 7.483 -6.426 1.00 0.00 H ATOM 395 HB2 HIS B 5 3.617 8.625 -9.195 1.00 0.00 H ATOM 396 HB3 HIS B 5 2.814 9.141 -7.737 1.00 0.00 H ATOM 397 HD1 HIS B 5 3.944 10.904 -6.303 1.00 0.00 H ATOM 398 HD2 HIS B 5 6.329 9.623 -9.471 1.00 0.00 H ATOM 399 HE1 HIS B 5 5.911 12.496 -6.401 1.00 0.00 H ATOM 400 N LEU B 6 2.626 5.612 -7.672 1.00 0.00 N ATOM 401 CA LEU B 6 2.107 4.391 -8.362 1.00 0.00 C ATOM 402 C LEU B 6 0.678 4.524 -8.894 1.00 0.00 C ATOM 403 O LEU B 6 -0.036 3.552 -8.943 1.00 0.00 O ATOM 404 CB LEU B 6 2.130 3.301 -7.289 1.00 0.00 C ATOM 405 CG LEU B 6 3.548 3.100 -6.761 1.00 0.00 C ATOM 406 CD1 LEU B 6 3.486 2.554 -5.333 1.00 0.00 C ATOM 407 CD2 LEU B 6 4.270 2.095 -7.646 1.00 0.00 C ATOM 408 H LEU B 6 2.262 5.884 -6.813 1.00 0.00 H ATOM 409 HA LEU B 6 2.763 4.128 -9.161 1.00 0.00 H ATOM 410 HB2 LEU B 6 1.486 3.589 -6.478 1.00 0.00 H ATOM 411 HB3 LEU B 6 1.771 2.381 -7.708 1.00 0.00 H ATOM 412 HG LEU B 6 4.077 4.041 -6.769 1.00 0.00 H ATOM 413 HD11 LEU B 6 2.497 2.711 -4.930 1.00 0.00 H ATOM 414 HD12 LEU B 6 3.707 1.496 -5.343 1.00 0.00 H ATOM 415 HD13 LEU B 6 4.211 3.067 -4.720 1.00 0.00 H ATOM 416 HD21 LEU B 6 4.041 2.300 -8.680 1.00 0.00 H ATOM 417 HD22 LEU B 6 5.334 2.178 -7.486 1.00 0.00 H ATOM 418 HD23 LEU B 6 3.942 1.099 -7.394 1.00 0.00 H ATOM 419 N CYS B 7 0.263 5.682 -9.309 1.00 0.00 N ATOM 420 CA CYS B 7 -1.131 5.848 -9.848 1.00 0.00 C ATOM 421 C CYS B 7 -1.811 4.509 -10.180 1.00 0.00 C ATOM 422 O CYS B 7 -1.291 3.684 -10.904 1.00 0.00 O ATOM 423 CB CYS B 7 -0.971 6.728 -11.076 1.00 0.00 C ATOM 424 SG CYS B 7 -0.566 8.387 -10.512 1.00 0.00 S ATOM 425 H CYS B 7 0.866 6.448 -9.275 1.00 0.00 H ATOM 426 HA CYS B 7 -1.729 6.366 -9.133 1.00 0.00 H ATOM 427 HB2 CYS B 7 -0.180 6.354 -11.699 1.00 0.00 H ATOM 428 HB3 CYS B 7 -1.898 6.757 -11.625 1.00 0.00 H ATOM 429 N GLY B 8 -2.967 4.316 -9.594 1.00 0.00 N ATOM 430 CA GLY B 8 -3.784 3.067 -9.756 1.00 0.00 C ATOM 431 C GLY B 8 -3.099 1.963 -10.584 1.00 0.00 C ATOM 432 O GLY B 8 -2.794 0.912 -10.059 1.00 0.00 O ATOM 433 H GLY B 8 -3.309 5.018 -9.002 1.00 0.00 H ATOM 434 HA2 GLY B 8 -3.975 2.670 -8.773 1.00 0.00 H ATOM 435 HA3 GLY B 8 -4.731 3.323 -10.204 1.00 0.00 H ATOM 436 N SER B 9 -2.881 2.145 -11.866 1.00 0.00 N ATOM 437 CA SER B 9 -2.256 1.048 -12.654 1.00 0.00 C ATOM 438 C SER B 9 -0.905 0.659 -12.067 1.00 0.00 C ATOM 439 O SER B 9 -0.517 -0.499 -12.079 1.00 0.00 O ATOM 440 CB SER B 9 -2.093 1.609 -14.066 1.00 0.00 C ATOM 441 OG SER B 9 -2.918 0.876 -14.961 1.00 0.00 O ATOM 442 H SER B 9 -3.138 2.977 -12.314 1.00 0.00 H ATOM 443 HA SER B 9 -2.907 0.194 -12.670 1.00 0.00 H ATOM 444 HB2 SER B 9 -2.386 2.645 -14.080 1.00 0.00 H ATOM 445 HB3 SER B 9 -1.056 1.526 -14.366 1.00 0.00 H ATOM 446 HG SER B 9 -3.779 0.768 -14.550 1.00 0.00 H ATOM 447 N HIS B 10 -0.195 1.593 -11.521 1.00 0.00 N ATOM 448 CA HIS B 10 1.112 1.235 -10.925 1.00 0.00 C ATOM 449 C HIS B 10 0.836 0.664 -9.548 1.00 0.00 C ATOM 450 O HIS B 10 1.452 -0.285 -9.107 1.00 0.00 O ATOM 451 CB HIS B 10 1.897 2.540 -10.852 1.00 0.00 C ATOM 452 CG HIS B 10 2.776 2.668 -12.067 1.00 0.00 C ATOM 453 ND1 HIS B 10 2.527 1.968 -13.237 1.00 0.00 N ATOM 454 CD2 HIS B 10 3.902 3.414 -12.308 1.00 0.00 C ATOM 455 CE1 HIS B 10 3.483 2.307 -14.122 1.00 0.00 C ATOM 456 NE2 HIS B 10 4.347 3.185 -13.606 1.00 0.00 N ATOM 457 H HIS B 10 -0.536 2.518 -11.470 1.00 0.00 H ATOM 458 HA HIS B 10 1.628 0.515 -11.541 1.00 0.00 H ATOM 459 HB2 HIS B 10 1.210 3.371 -10.820 1.00 0.00 H ATOM 460 HB3 HIS B 10 2.507 2.540 -9.967 1.00 0.00 H ATOM 461 HD1 HIS B 10 1.790 1.342 -13.393 1.00 0.00 H ATOM 462 HD2 HIS B 10 4.371 4.079 -11.597 1.00 0.00 H ATOM 463 HE1 HIS B 10 3.545 1.915 -15.127 1.00 0.00 H ATOM 464 N LEU B 11 -0.120 1.236 -8.883 1.00 0.00 N ATOM 465 CA LEU B 11 -0.495 0.737 -7.540 1.00 0.00 C ATOM 466 C LEU B 11 -0.982 -0.691 -7.642 1.00 0.00 C ATOM 467 O LEU B 11 -0.528 -1.563 -6.928 1.00 0.00 O ATOM 468 CB LEU B 11 -1.654 1.610 -7.092 1.00 0.00 C ATOM 469 CG LEU B 11 -1.104 2.847 -6.398 1.00 0.00 C ATOM 470 CD1 LEU B 11 -2.181 3.927 -6.329 1.00 0.00 C ATOM 471 CD2 LEU B 11 -0.674 2.451 -4.992 1.00 0.00 C ATOM 472 H LEU B 11 -0.602 1.995 -9.278 1.00 0.00 H ATOM 473 HA LEU B 11 0.331 0.822 -6.851 1.00 0.00 H ATOM 474 HB2 LEU B 11 -2.246 1.886 -7.949 1.00 0.00 H ATOM 475 HB3 LEU B 11 -2.269 1.056 -6.398 1.00 0.00 H ATOM 476 HG LEU B 11 -0.254 3.220 -6.942 1.00 0.00 H ATOM 477 HD11 LEU B 11 -3.014 3.645 -6.955 1.00 0.00 H ATOM 478 HD12 LEU B 11 -2.516 4.035 -5.309 1.00 0.00 H ATOM 479 HD13 LEU B 11 -1.771 4.865 -6.674 1.00 0.00 H ATOM 480 HD21 LEU B 11 -1.135 1.510 -4.729 1.00 0.00 H ATOM 481 HD22 LEU B 11 0.401 2.344 -4.963 1.00 0.00 H ATOM 482 HD23 LEU B 11 -0.983 3.212 -4.295 1.00 0.00 H ATOM 483 N VAL B 12 -1.918 -0.952 -8.516 1.00 0.00 N ATOM 484 CA VAL B 12 -2.412 -2.327 -8.610 1.00 0.00 C ATOM 485 C VAL B 12 -1.230 -3.250 -8.896 1.00 0.00 C ATOM 486 O VAL B 12 -1.251 -4.418 -8.574 1.00 0.00 O ATOM 487 CB VAL B 12 -3.434 -2.312 -9.752 1.00 0.00 C ATOM 488 CG1 VAL B 12 -3.352 -3.601 -10.572 1.00 0.00 C ATOM 489 CG2 VAL B 12 -4.841 -2.176 -9.167 1.00 0.00 C ATOM 490 H VAL B 12 -2.295 -0.250 -9.096 1.00 0.00 H ATOM 491 HA VAL B 12 -2.889 -2.588 -7.685 1.00 0.00 H ATOM 492 HB VAL B 12 -3.234 -1.472 -10.388 1.00 0.00 H ATOM 493 HG11 VAL B 12 -3.265 -4.446 -9.906 1.00 0.00 H ATOM 494 HG12 VAL B 12 -4.245 -3.704 -11.170 1.00 0.00 H ATOM 495 HG13 VAL B 12 -2.488 -3.560 -11.219 1.00 0.00 H ATOM 496 HG21 VAL B 12 -4.992 -2.936 -8.414 1.00 0.00 H ATOM 497 HG22 VAL B 12 -4.952 -1.199 -8.720 1.00 0.00 H ATOM 498 HG23 VAL B 12 -5.570 -2.297 -9.953 1.00 0.00 H ATOM 499 N GLU B 13 -0.193 -2.729 -9.498 1.00 0.00 N ATOM 500 CA GLU B 13 0.990 -3.583 -9.792 1.00 0.00 C ATOM 501 C GLU B 13 2.007 -3.517 -8.643 1.00 0.00 C ATOM 502 O GLU B 13 2.885 -4.355 -8.533 1.00 0.00 O ATOM 503 CB GLU B 13 1.588 -3.004 -11.076 1.00 0.00 C ATOM 504 CG GLU B 13 2.186 -4.132 -11.921 1.00 0.00 C ATOM 505 CD GLU B 13 2.269 -3.685 -13.383 1.00 0.00 C ATOM 506 OE1 GLU B 13 2.237 -2.488 -13.620 1.00 0.00 O ATOM 507 OE2 GLU B 13 2.365 -4.547 -14.241 1.00 0.00 O ATOM 508 H GLU B 13 -0.193 -1.780 -9.752 1.00 0.00 H ATOM 509 HA GLU B 13 0.679 -4.598 -9.955 1.00 0.00 H ATOM 510 HB2 GLU B 13 0.813 -2.505 -11.639 1.00 0.00 H ATOM 511 HB3 GLU B 13 2.362 -2.298 -10.824 1.00 0.00 H ATOM 512 HG2 GLU B 13 3.177 -4.366 -11.560 1.00 0.00 H ATOM 513 HG3 GLU B 13 1.560 -5.008 -11.851 1.00 0.00 H ATOM 514 N ALA B 14 1.884 -2.551 -7.768 1.00 0.00 N ATOM 515 CA ALA B 14 2.841 -2.465 -6.630 1.00 0.00 C ATOM 516 C ALA B 14 2.190 -3.084 -5.411 1.00 0.00 C ATOM 517 O ALA B 14 2.839 -3.477 -4.463 1.00 0.00 O ATOM 518 CB ALA B 14 3.087 -0.968 -6.407 1.00 0.00 C ATOM 519 H ALA B 14 1.149 -1.903 -7.839 1.00 0.00 H ATOM 520 HA ALA B 14 3.764 -2.972 -6.868 1.00 0.00 H ATOM 521 HB1 ALA B 14 2.541 -0.398 -7.145 1.00 0.00 H ATOM 522 HB2 ALA B 14 2.748 -0.691 -5.418 1.00 0.00 H ATOM 523 HB3 ALA B 14 4.142 -0.757 -6.498 1.00 0.00 H ATOM 524 N LEU B 15 0.899 -3.173 -5.445 1.00 0.00 N ATOM 525 CA LEU B 15 0.163 -3.765 -4.316 1.00 0.00 C ATOM 526 C LEU B 15 0.027 -5.270 -4.565 1.00 0.00 C ATOM 527 O LEU B 15 -0.028 -6.062 -3.645 1.00 0.00 O ATOM 528 CB LEU B 15 -1.151 -2.998 -4.369 1.00 0.00 C ATOM 529 CG LEU B 15 -2.333 -3.828 -3.867 1.00 0.00 C ATOM 530 CD1 LEU B 15 -1.923 -4.662 -2.654 1.00 0.00 C ATOM 531 CD2 LEU B 15 -3.463 -2.884 -3.454 1.00 0.00 C ATOM 532 H LEU B 15 0.398 -2.849 -6.231 1.00 0.00 H ATOM 533 HA LEU B 15 0.676 -3.576 -3.387 1.00 0.00 H ATOM 534 HB2 LEU B 15 -1.056 -2.103 -3.785 1.00 0.00 H ATOM 535 HB3 LEU B 15 -1.325 -2.714 -5.377 1.00 0.00 H ATOM 536 HG LEU B 15 -2.678 -4.474 -4.665 1.00 0.00 H ATOM 537 HD11 LEU B 15 -0.924 -4.390 -2.350 1.00 0.00 H ATOM 538 HD12 LEU B 15 -2.610 -4.473 -1.842 1.00 0.00 H ATOM 539 HD13 LEU B 15 -1.951 -5.709 -2.911 1.00 0.00 H ATOM 540 HD21 LEU B 15 -3.167 -1.864 -3.649 1.00 0.00 H ATOM 541 HD22 LEU B 15 -4.353 -3.117 -4.019 1.00 0.00 H ATOM 542 HD23 LEU B 15 -3.663 -3.004 -2.399 1.00 0.00 H ATOM 543 N TYR B 16 0.045 -5.682 -5.808 1.00 0.00 N ATOM 544 CA TYR B 16 -0.010 -7.139 -6.099 1.00 0.00 C ATOM 545 C TYR B 16 1.389 -7.708 -5.899 1.00 0.00 C ATOM 546 O TYR B 16 1.570 -8.807 -5.412 1.00 0.00 O ATOM 547 CB TYR B 16 -0.432 -7.258 -7.579 1.00 0.00 C ATOM 548 CG TYR B 16 0.660 -7.927 -8.410 1.00 0.00 C ATOM 549 CD1 TYR B 16 0.800 -9.325 -8.397 1.00 0.00 C ATOM 550 CD2 TYR B 16 1.533 -7.149 -9.185 1.00 0.00 C ATOM 551 CE1 TYR B 16 1.801 -9.938 -9.161 1.00 0.00 C ATOM 552 CE2 TYR B 16 2.534 -7.765 -9.948 1.00 0.00 C ATOM 553 CZ TYR B 16 2.667 -9.158 -9.937 1.00 0.00 C ATOM 554 OH TYR B 16 3.653 -9.764 -10.688 1.00 0.00 O ATOM 555 H TYR B 16 0.142 -5.038 -6.543 1.00 0.00 H ATOM 556 HA TYR B 16 -0.724 -7.634 -5.459 1.00 0.00 H ATOM 557 HB2 TYR B 16 -1.333 -7.845 -7.648 1.00 0.00 H ATOM 558 HB3 TYR B 16 -0.625 -6.277 -7.969 1.00 0.00 H ATOM 559 HD1 TYR B 16 0.138 -9.931 -7.797 1.00 0.00 H ATOM 560 HD2 TYR B 16 1.442 -6.077 -9.188 1.00 0.00 H ATOM 561 HE1 TYR B 16 1.906 -11.013 -9.151 1.00 0.00 H ATOM 562 HE2 TYR B 16 3.201 -7.164 -10.548 1.00 0.00 H ATOM 563 HH TYR B 16 3.303 -9.917 -11.568 1.00 0.00 H ATOM 564 N LEU B 17 2.384 -6.968 -6.314 1.00 0.00 N ATOM 565 CA LEU B 17 3.766 -7.478 -6.189 1.00 0.00 C ATOM 566 C LEU B 17 4.136 -7.514 -4.729 1.00 0.00 C ATOM 567 O LEU B 17 4.987 -8.270 -4.303 1.00 0.00 O ATOM 568 CB LEU B 17 4.668 -6.423 -6.827 1.00 0.00 C ATOM 569 CG LEU B 17 5.673 -7.039 -7.828 1.00 0.00 C ATOM 570 CD1 LEU B 17 5.932 -8.518 -7.521 1.00 0.00 C ATOM 571 CD2 LEU B 17 5.115 -6.910 -9.248 1.00 0.00 C ATOM 572 H LEU B 17 2.213 -6.095 -6.727 1.00 0.00 H ATOM 573 HA LEU B 17 3.867 -8.434 -6.668 1.00 0.00 H ATOM 574 HB2 LEU B 17 4.067 -5.685 -7.288 1.00 0.00 H ATOM 575 HB3 LEU B 17 5.238 -5.945 -6.043 1.00 0.00 H ATOM 576 HG LEU B 17 6.605 -6.498 -7.767 1.00 0.00 H ATOM 577 HD11 LEU B 17 5.799 -8.694 -6.464 1.00 0.00 H ATOM 578 HD12 LEU B 17 5.235 -9.127 -8.077 1.00 0.00 H ATOM 579 HD13 LEU B 17 6.941 -8.774 -7.806 1.00 0.00 H ATOM 580 HD21 LEU B 17 4.229 -6.292 -9.231 1.00 0.00 H ATOM 581 HD22 LEU B 17 5.858 -6.456 -9.887 1.00 0.00 H ATOM 582 HD23 LEU B 17 4.863 -7.890 -9.626 1.00 0.00 H ATOM 583 N VAL B 18 3.557 -6.635 -3.965 1.00 0.00 N ATOM 584 CA VAL B 18 3.955 -6.574 -2.560 1.00 0.00 C ATOM 585 C VAL B 18 3.177 -7.585 -1.702 1.00 0.00 C ATOM 586 O VAL B 18 3.620 -7.974 -0.639 1.00 0.00 O ATOM 587 CB VAL B 18 3.697 -5.131 -2.118 1.00 0.00 C ATOM 588 CG1 VAL B 18 2.224 -4.942 -1.776 1.00 0.00 C ATOM 589 CG2 VAL B 18 4.543 -4.819 -0.880 1.00 0.00 C ATOM 590 H VAL B 18 2.912 -5.992 -4.331 1.00 0.00 H ATOM 591 HA VAL B 18 5.006 -6.770 -2.530 1.00 0.00 H ATOM 592 HB VAL B 18 3.967 -4.455 -2.916 1.00 0.00 H ATOM 593 HG11 VAL B 18 1.633 -5.675 -2.306 1.00 0.00 H ATOM 594 HG12 VAL B 18 2.086 -5.066 -0.712 1.00 0.00 H ATOM 595 HG13 VAL B 18 1.913 -3.950 -2.064 1.00 0.00 H ATOM 596 HG21 VAL B 18 5.488 -5.340 -0.948 1.00 0.00 H ATOM 597 HG22 VAL B 18 4.722 -3.756 -0.824 1.00 0.00 H ATOM 598 HG23 VAL B 18 4.017 -5.143 0.006 1.00 0.00 H ATOM 599 N CYS B 19 2.030 -8.027 -2.154 1.00 0.00 N ATOM 600 CA CYS B 19 1.250 -9.025 -1.353 1.00 0.00 C ATOM 601 C CYS B 19 1.053 -10.307 -2.177 1.00 0.00 C ATOM 602 O CYS B 19 1.810 -11.250 -2.051 1.00 0.00 O ATOM 603 CB CYS B 19 -0.096 -8.356 -1.026 1.00 0.00 C ATOM 604 SG CYS B 19 0.173 -6.653 -0.507 1.00 0.00 S ATOM 605 H CYS B 19 1.691 -7.717 -3.019 1.00 0.00 H ATOM 606 HA CYS B 19 1.774 -9.255 -0.438 1.00 0.00 H ATOM 607 HB2 CYS B 19 -0.730 -8.360 -1.890 1.00 0.00 H ATOM 608 HB3 CYS B 19 -0.577 -8.893 -0.221 1.00 0.00 H ATOM 609 N GLY B 20 0.062 -10.354 -3.027 1.00 0.00 N ATOM 610 CA GLY B 20 -0.146 -11.572 -3.854 1.00 0.00 C ATOM 611 C GLY B 20 -0.413 -12.781 -2.956 1.00 0.00 C ATOM 612 O GLY B 20 0.136 -12.901 -1.877 1.00 0.00 O ATOM 613 H GLY B 20 -0.538 -9.591 -3.133 1.00 0.00 H ATOM 614 HA2 GLY B 20 -0.992 -11.418 -4.511 1.00 0.00 H ATOM 615 HA3 GLY B 20 0.739 -11.753 -4.443 1.00 0.00 H ATOM 616 N GLU B 21 -1.254 -13.680 -3.400 1.00 0.00 N ATOM 617 CA GLU B 21 -1.571 -14.895 -2.589 1.00 0.00 C ATOM 618 C GLU B 21 -2.452 -14.535 -1.389 1.00 0.00 C ATOM 619 O GLU B 21 -2.861 -15.392 -0.630 1.00 0.00 O ATOM 620 CB GLU B 21 -0.218 -15.434 -2.123 1.00 0.00 C ATOM 621 CG GLU B 21 -0.150 -16.939 -2.390 1.00 0.00 C ATOM 622 CD GLU B 21 1.021 -17.539 -1.611 1.00 0.00 C ATOM 623 OE1 GLU B 21 1.238 -17.114 -0.489 1.00 0.00 O ATOM 624 OE2 GLU B 21 1.680 -18.412 -2.150 1.00 0.00 O ATOM 625 H GLU B 21 -1.678 -13.555 -4.273 1.00 0.00 H ATOM 626 HA GLU B 21 -2.064 -15.632 -3.204 1.00 0.00 H ATOM 627 HB2 GLU B 21 0.573 -14.936 -2.663 1.00 0.00 H ATOM 628 HB3 GLU B 21 -0.103 -15.253 -1.066 1.00 0.00 H ATOM 629 HG2 GLU B 21 -1.073 -17.403 -2.071 1.00 0.00 H ATOM 630 HG3 GLU B 21 -0.005 -17.113 -3.446 1.00 0.00 H ATOM 631 N ARG B 22 -2.755 -13.277 -1.212 1.00 0.00 N ATOM 632 CA ARG B 22 -3.613 -12.873 -0.062 1.00 0.00 C ATOM 633 C ARG B 22 -4.511 -11.702 -0.467 1.00 0.00 C ATOM 634 O ARG B 22 -5.121 -11.059 0.363 1.00 0.00 O ATOM 635 CB ARG B 22 -2.637 -12.440 1.034 1.00 0.00 C ATOM 636 CG ARG B 22 -2.019 -13.674 1.692 1.00 0.00 C ATOM 637 CD ARG B 22 -0.502 -13.649 1.494 1.00 0.00 C ATOM 638 NE ARG B 22 0.063 -13.603 2.870 1.00 0.00 N ATOM 639 CZ ARG B 22 1.322 -13.881 3.068 1.00 0.00 C ATOM 640 NH1 ARG B 22 1.812 -15.019 2.657 1.00 0.00 N ATOM 641 NH2 ARG B 22 2.094 -13.022 3.676 1.00 0.00 N ATOM 642 H ARG B 22 -2.422 -12.600 -1.834 1.00 0.00 H ATOM 643 HA ARG B 22 -4.207 -13.705 0.278 1.00 0.00 H ATOM 644 HB2 ARG B 22 -1.856 -11.832 0.602 1.00 0.00 H ATOM 645 HB3 ARG B 22 -3.167 -11.865 1.779 1.00 0.00 H ATOM 646 HG2 ARG B 22 -2.243 -13.669 2.750 1.00 0.00 H ATOM 647 HG3 ARG B 22 -2.424 -14.567 1.242 1.00 0.00 H ATOM 648 HD2 ARG B 22 -0.176 -14.543 0.979 1.00 0.00 H ATOM 649 HD3 ARG B 22 -0.209 -12.769 0.942 1.00 0.00 H ATOM 650 HE ARG B 22 -0.512 -13.365 3.628 1.00 0.00 H ATOM 651 HH11 ARG B 22 1.222 -15.677 2.190 1.00 0.00 H ATOM 652 HH12 ARG B 22 2.777 -15.234 2.812 1.00 0.00 H ATOM 653 HH21 ARG B 22 1.719 -12.150 3.992 1.00 0.00 H ATOM 654 HH22 ARG B 22 3.060 -13.234 3.824 1.00 0.00 H ATOM 655 N GLY B 23 -4.591 -11.415 -1.737 1.00 0.00 N ATOM 656 CA GLY B 23 -5.444 -10.281 -2.186 1.00 0.00 C ATOM 657 C GLY B 23 -5.161 -9.068 -1.302 1.00 0.00 C ATOM 658 O GLY B 23 -4.245 -9.075 -0.505 1.00 0.00 O ATOM 659 H GLY B 23 -4.087 -11.944 -2.393 1.00 0.00 H ATOM 660 HA2 GLY B 23 -5.217 -10.044 -3.216 1.00 0.00 H ATOM 661 HA3 GLY B 23 -6.485 -10.554 -2.099 1.00 0.00 H ATOM 662 N PHE B 24 -5.934 -8.025 -1.432 1.00 0.00 N ATOM 663 CA PHE B 24 -5.695 -6.821 -0.589 1.00 0.00 C ATOM 664 C PHE B 24 -6.944 -5.937 -0.554 1.00 0.00 C ATOM 665 O PHE B 24 -8.012 -6.335 -0.973 1.00 0.00 O ATOM 666 CB PHE B 24 -4.533 -6.082 -1.256 1.00 0.00 C ATOM 667 CG PHE B 24 -4.736 -6.049 -2.753 1.00 0.00 C ATOM 668 CD1 PHE B 24 -5.756 -5.260 -3.305 1.00 0.00 C ATOM 669 CD2 PHE B 24 -3.900 -6.799 -3.588 1.00 0.00 C ATOM 670 CE1 PHE B 24 -5.938 -5.227 -4.696 1.00 0.00 C ATOM 671 CE2 PHE B 24 -4.080 -6.764 -4.976 1.00 0.00 C ATOM 672 CZ PHE B 24 -5.099 -5.978 -5.530 1.00 0.00 C ATOM 673 H PHE B 24 -6.668 -8.034 -2.079 1.00 0.00 H ATOM 674 HA PHE B 24 -5.417 -7.114 0.411 1.00 0.00 H ATOM 675 HB2 PHE B 24 -4.486 -5.072 -0.878 1.00 0.00 H ATOM 676 HB3 PHE B 24 -3.609 -6.592 -1.031 1.00 0.00 H ATOM 677 HD1 PHE B 24 -6.402 -4.682 -2.661 1.00 0.00 H ATOM 678 HD2 PHE B 24 -3.115 -7.407 -3.160 1.00 0.00 H ATOM 679 HE1 PHE B 24 -6.722 -4.620 -5.123 1.00 0.00 H ATOM 680 HE2 PHE B 24 -3.431 -7.341 -5.619 1.00 0.00 H ATOM 681 HZ PHE B 24 -5.238 -5.951 -6.600 1.00 0.00 H ATOM 682 N PHE B 25 -6.809 -4.742 -0.057 1.00 0.00 N ATOM 683 CA PHE B 25 -7.979 -3.822 0.011 1.00 0.00 C ATOM 684 C PHE B 25 -7.748 -2.616 -0.901 1.00 0.00 C ATOM 685 O PHE B 25 -7.179 -1.620 -0.502 1.00 0.00 O ATOM 686 CB PHE B 25 -8.060 -3.383 1.475 1.00 0.00 C ATOM 687 CG PHE B 25 -9.404 -2.740 1.755 1.00 0.00 C ATOM 688 CD1 PHE B 25 -10.288 -2.451 0.704 1.00 0.00 C ATOM 689 CD2 PHE B 25 -9.765 -2.429 3.074 1.00 0.00 C ATOM 690 CE1 PHE B 25 -11.527 -1.854 0.972 1.00 0.00 C ATOM 691 CE2 PHE B 25 -11.004 -1.832 3.341 1.00 0.00 C ATOM 692 CZ PHE B 25 -11.884 -1.543 2.291 1.00 0.00 C ATOM 693 H PHE B 25 -5.935 -4.449 0.273 1.00 0.00 H ATOM 694 HA PHE B 25 -8.883 -4.340 -0.270 1.00 0.00 H ATOM 695 HB2 PHE B 25 -7.937 -4.244 2.114 1.00 0.00 H ATOM 696 HB3 PHE B 25 -7.275 -2.672 1.680 1.00 0.00 H ATOM 697 HD1 PHE B 25 -10.013 -2.690 -0.312 1.00 0.00 H ATOM 698 HD2 PHE B 25 -9.087 -2.651 3.886 1.00 0.00 H ATOM 699 HE1 PHE B 25 -12.206 -1.631 0.163 1.00 0.00 H ATOM 700 HE2 PHE B 25 -11.279 -1.592 4.358 1.00 0.00 H ATOM 701 HZ PHE B 25 -12.839 -1.082 2.497 1.00 0.00 H ATOM 702 N TYR B 26 -8.185 -2.705 -2.125 1.00 0.00 N ATOM 703 CA TYR B 26 -7.992 -1.572 -3.072 1.00 0.00 C ATOM 704 C TYR B 26 -9.175 -1.504 -4.043 1.00 0.00 C ATOM 705 O TYR B 26 -9.600 -2.505 -4.582 1.00 0.00 O ATOM 706 CB TYR B 26 -6.698 -1.905 -3.814 1.00 0.00 C ATOM 707 CG TYR B 26 -6.273 -0.719 -4.643 1.00 0.00 C ATOM 708 CD1 TYR B 26 -6.876 -0.484 -5.883 1.00 0.00 C ATOM 709 CD2 TYR B 26 -5.279 0.149 -4.170 1.00 0.00 C ATOM 710 CE1 TYR B 26 -6.486 0.617 -6.657 1.00 0.00 C ATOM 711 CE2 TYR B 26 -4.889 1.252 -4.942 1.00 0.00 C ATOM 712 CZ TYR B 26 -5.492 1.486 -6.186 1.00 0.00 C ATOM 713 OH TYR B 26 -5.107 2.572 -6.947 1.00 0.00 O ATOM 714 H TYR B 26 -8.637 -3.521 -2.425 1.00 0.00 H ATOM 715 HA TYR B 26 -7.885 -0.642 -2.537 1.00 0.00 H ATOM 716 HB2 TYR B 26 -5.925 -2.141 -3.098 1.00 0.00 H ATOM 717 HB3 TYR B 26 -6.863 -2.755 -4.460 1.00 0.00 H ATOM 718 HD1 TYR B 26 -7.640 -1.156 -6.246 1.00 0.00 H ATOM 719 HD2 TYR B 26 -4.812 -0.034 -3.212 1.00 0.00 H ATOM 720 HE1 TYR B 26 -6.952 0.797 -7.614 1.00 0.00 H ATOM 721 HE2 TYR B 26 -4.123 1.921 -4.579 1.00 0.00 H ATOM 722 HH TYR B 26 -5.215 3.361 -6.412 1.00 0.00 H ATOM 723 N THR B 27 -9.720 -0.335 -4.267 1.00 0.00 N ATOM 724 CA THR B 27 -10.882 -0.234 -5.200 1.00 0.00 C ATOM 725 C THR B 27 -10.495 0.610 -6.432 1.00 0.00 C ATOM 726 O THR B 27 -9.322 0.791 -6.692 1.00 0.00 O ATOM 727 CB THR B 27 -11.998 0.450 -4.395 1.00 0.00 C ATOM 728 OG1 THR B 27 -11.846 1.859 -4.486 1.00 0.00 O ATOM 729 CG2 THR B 27 -11.932 0.024 -2.926 1.00 0.00 C ATOM 730 H THR B 27 -9.372 0.465 -3.821 1.00 0.00 H ATOM 731 HA THR B 27 -11.186 -1.226 -5.496 1.00 0.00 H ATOM 732 HB THR B 27 -12.958 0.166 -4.800 1.00 0.00 H ATOM 733 HG1 THR B 27 -12.158 2.243 -3.663 1.00 0.00 H ATOM 734 HG21 THR B 27 -11.574 -0.992 -2.861 1.00 0.00 H ATOM 735 HG22 THR B 27 -11.258 0.678 -2.393 1.00 0.00 H ATOM 736 HG23 THR B 27 -12.918 0.088 -2.488 1.00 0.00 H ATOM 737 N PRO B 28 -11.480 1.109 -7.163 1.00 0.00 N ATOM 738 CA PRO B 28 -11.169 1.930 -8.357 1.00 0.00 C ATOM 739 C PRO B 28 -10.927 3.392 -7.963 1.00 0.00 C ATOM 740 O PRO B 28 -11.203 4.296 -8.725 1.00 0.00 O ATOM 741 CB PRO B 28 -12.434 1.831 -9.198 1.00 0.00 C ATOM 742 CG PRO B 28 -13.540 1.558 -8.225 1.00 0.00 C ATOM 743 CD PRO B 28 -12.934 0.969 -6.974 1.00 0.00 C ATOM 744 HA PRO B 28 -10.327 1.528 -8.896 1.00 0.00 H ATOM 745 HB2 PRO B 28 -12.611 2.762 -9.718 1.00 0.00 H ATOM 746 HB3 PRO B 28 -12.356 1.016 -9.901 1.00 0.00 H ATOM 747 HG2 PRO B 28 -14.049 2.481 -7.986 1.00 0.00 H ATOM 748 HG3 PRO B 28 -14.236 0.856 -8.653 1.00 0.00 H ATOM 749 HD2 PRO B 28 -13.262 1.521 -6.103 1.00 0.00 H ATOM 750 HD3 PRO B 28 -13.211 -0.066 -6.894 1.00 0.00 H ATOM 751 N LYS B 29 -10.431 3.634 -6.781 1.00 0.00 N ATOM 752 CA LYS B 29 -10.193 5.042 -6.349 1.00 0.00 C ATOM 753 C LYS B 29 -11.527 5.785 -6.258 1.00 0.00 C ATOM 754 O LYS B 29 -12.027 6.303 -7.236 1.00 0.00 O ATOM 755 CB LYS B 29 -9.310 5.658 -7.435 1.00 0.00 C ATOM 756 CG LYS B 29 -8.199 4.678 -7.816 1.00 0.00 C ATOM 757 CD LYS B 29 -7.369 5.270 -8.957 1.00 0.00 C ATOM 758 CE LYS B 29 -6.604 6.495 -8.449 1.00 0.00 C ATOM 759 NZ LYS B 29 -5.976 7.090 -9.663 1.00 0.00 N ATOM 760 H LYS B 29 -10.227 2.894 -6.174 1.00 0.00 H ATOM 761 HA LYS B 29 -9.683 5.064 -5.399 1.00 0.00 H ATOM 762 HB2 LYS B 29 -9.910 5.880 -8.306 1.00 0.00 H ATOM 763 HB3 LYS B 29 -8.868 6.571 -7.063 1.00 0.00 H ATOM 764 HG2 LYS B 29 -7.565 4.503 -6.960 1.00 0.00 H ATOM 765 HG3 LYS B 29 -8.635 3.745 -8.138 1.00 0.00 H ATOM 766 HD2 LYS B 29 -6.669 4.529 -9.315 1.00 0.00 H ATOM 767 HD3 LYS B 29 -8.023 5.566 -9.764 1.00 0.00 H ATOM 768 HE2 LYS B 29 -7.287 7.199 -7.994 1.00 0.00 H ATOM 769 HE3 LYS B 29 -5.842 6.199 -7.745 1.00 0.00 H ATOM 770 HZ1 LYS B 29 -6.715 7.351 -10.344 1.00 0.00 H ATOM 771 HZ2 LYS B 29 -5.438 7.939 -9.395 1.00 0.00 H ATOM 772 HZ3 LYS B 29 -5.334 6.394 -10.096 1.00 0.00 H ATOM 773 N THR B 30 -12.113 5.835 -5.093 1.00 0.00 N ATOM 774 CA THR B 30 -13.418 6.539 -4.948 1.00 0.00 C ATOM 775 C THR B 30 -13.575 7.086 -3.526 1.00 0.00 C ATOM 776 O THR B 30 -14.156 8.151 -3.383 1.00 0.00 O ATOM 777 CB THR B 30 -14.474 5.470 -5.233 1.00 0.00 C ATOM 778 OG1 THR B 30 -14.490 5.186 -6.625 1.00 0.00 O ATOM 779 CG2 THR B 30 -15.848 5.977 -4.797 1.00 0.00 C ATOM 780 OXT THR B 30 -13.115 6.432 -2.605 1.00 0.00 O ATOM 781 H THR B 30 -11.696 5.406 -4.315 1.00 0.00 H ATOM 782 HA THR B 30 -13.498 7.336 -5.670 1.00 0.00 H ATOM 783 HB THR B 30 -14.235 4.572 -4.685 1.00 0.00 H ATOM 784 HG1 THR B 30 -15.016 4.393 -6.760 1.00 0.00 H ATOM 785 HG21 THR B 30 -15.929 7.032 -5.014 1.00 0.00 H ATOM 786 HG22 THR B 30 -16.617 5.440 -5.333 1.00 0.00 H ATOM 787 HG23 THR B 30 -15.972 5.818 -3.736 1.00 0.00 H TER 788 THR B 30 ENDMDL MODEL 4 ATOM 1 N GLY A 1 -6.547 5.040 1.610 1.00 0.00 N ATOM 2 CA GLY A 1 -6.096 6.243 0.854 1.00 0.00 C ATOM 3 C GLY A 1 -4.902 5.877 -0.032 1.00 0.00 C ATOM 4 O GLY A 1 -4.282 6.729 -0.636 1.00 0.00 O ATOM 5 H1 GLY A 1 -5.742 4.633 2.126 1.00 0.00 H ATOM 6 H2 GLY A 1 -7.289 5.312 2.286 1.00 0.00 H ATOM 7 H3 GLY A 1 -6.926 4.335 0.944 1.00 0.00 H ATOM 8 HA2 GLY A 1 -6.906 6.603 0.237 1.00 0.00 H ATOM 9 HA3 GLY A 1 -5.802 7.015 1.548 1.00 0.00 H ATOM 10 N ILE A 2 -4.573 4.615 -0.112 1.00 0.00 N ATOM 11 CA ILE A 2 -3.415 4.191 -0.958 1.00 0.00 C ATOM 12 C ILE A 2 -3.401 4.955 -2.289 1.00 0.00 C ATOM 13 O ILE A 2 -2.367 5.117 -2.907 1.00 0.00 O ATOM 14 CB ILE A 2 -3.615 2.685 -1.191 1.00 0.00 C ATOM 15 CG1 ILE A 2 -2.839 2.237 -2.427 1.00 0.00 C ATOM 16 CG2 ILE A 2 -5.099 2.375 -1.394 1.00 0.00 C ATOM 17 CD1 ILE A 2 -2.889 0.713 -2.532 1.00 0.00 C ATOM 18 H ILE A 2 -5.086 3.944 0.388 1.00 0.00 H ATOM 19 HA ILE A 2 -2.495 4.357 -0.430 1.00 0.00 H ATOM 20 HB ILE A 2 -3.256 2.140 -0.337 1.00 0.00 H ATOM 21 HG12 ILE A 2 -3.285 2.674 -3.302 1.00 0.00 H ATOM 22 HG13 ILE A 2 -1.811 2.560 -2.346 1.00 0.00 H ATOM 23 HG21 ILE A 2 -5.614 3.271 -1.706 1.00 0.00 H ATOM 24 HG22 ILE A 2 -5.206 1.615 -2.153 1.00 0.00 H ATOM 25 HG23 ILE A 2 -5.521 2.020 -0.465 1.00 0.00 H ATOM 26 HD11 ILE A 2 -3.418 0.311 -1.681 1.00 0.00 H ATOM 27 HD12 ILE A 2 -3.402 0.430 -3.440 1.00 0.00 H ATOM 28 HD13 ILE A 2 -1.883 0.320 -2.549 1.00 0.00 H ATOM 29 N VAL A 3 -4.531 5.418 -2.738 1.00 0.00 N ATOM 30 CA VAL A 3 -4.570 6.164 -4.031 1.00 0.00 C ATOM 31 C VAL A 3 -3.984 7.567 -3.859 1.00 0.00 C ATOM 32 O VAL A 3 -3.722 8.262 -4.822 1.00 0.00 O ATOM 33 CB VAL A 3 -6.052 6.257 -4.408 1.00 0.00 C ATOM 34 CG1 VAL A 3 -6.174 6.510 -5.911 1.00 0.00 C ATOM 35 CG2 VAL A 3 -6.765 4.947 -4.058 1.00 0.00 C ATOM 36 H VAL A 3 -5.352 5.275 -2.229 1.00 0.00 H ATOM 37 HA VAL A 3 -4.033 5.625 -4.793 1.00 0.00 H ATOM 38 HB VAL A 3 -6.509 7.074 -3.868 1.00 0.00 H ATOM 39 HG11 VAL A 3 -5.209 6.381 -6.376 1.00 0.00 H ATOM 40 HG12 VAL A 3 -6.875 5.809 -6.338 1.00 0.00 H ATOM 41 HG13 VAL A 3 -6.523 7.518 -6.079 1.00 0.00 H ATOM 42 HG21 VAL A 3 -6.032 4.167 -3.909 1.00 0.00 H ATOM 43 HG22 VAL A 3 -7.338 5.079 -3.153 1.00 0.00 H ATOM 44 HG23 VAL A 3 -7.426 4.670 -4.866 1.00 0.00 H ATOM 45 N GLU A 4 -3.788 7.996 -2.644 1.00 0.00 N ATOM 46 CA GLU A 4 -3.234 9.363 -2.417 1.00 0.00 C ATOM 47 C GLU A 4 -1.770 9.290 -1.975 1.00 0.00 C ATOM 48 O GLU A 4 -1.093 10.295 -1.892 1.00 0.00 O ATOM 49 CB GLU A 4 -4.096 9.966 -1.304 1.00 0.00 C ATOM 50 CG GLU A 4 -5.552 9.533 -1.486 1.00 0.00 C ATOM 51 CD GLU A 4 -6.476 10.731 -1.260 1.00 0.00 C ATOM 52 OE1 GLU A 4 -6.657 11.106 -0.113 1.00 0.00 O ATOM 53 OE2 GLU A 4 -6.985 11.253 -2.237 1.00 0.00 O ATOM 54 H GLU A 4 -4.015 7.426 -1.882 1.00 0.00 H ATOM 55 HA GLU A 4 -3.325 9.957 -3.312 1.00 0.00 H ATOM 56 HB2 GLU A 4 -3.735 9.622 -0.346 1.00 0.00 H ATOM 57 HB3 GLU A 4 -4.035 11.044 -1.346 1.00 0.00 H ATOM 58 HG2 GLU A 4 -5.688 9.153 -2.488 1.00 0.00 H ATOM 59 HG3 GLU A 4 -5.787 8.758 -0.773 1.00 0.00 H ATOM 60 N GLN A 5 -1.273 8.120 -1.679 1.00 0.00 N ATOM 61 CA GLN A 5 0.149 8.028 -1.236 1.00 0.00 C ATOM 62 C GLN A 5 1.050 7.579 -2.397 1.00 0.00 C ATOM 63 O GLN A 5 2.153 8.066 -2.546 1.00 0.00 O ATOM 64 CB GLN A 5 0.161 7.018 -0.078 1.00 0.00 C ATOM 65 CG GLN A 5 1.086 7.528 1.030 1.00 0.00 C ATOM 66 CD GLN A 5 0.395 7.369 2.386 1.00 0.00 C ATOM 67 OE1 GLN A 5 -0.459 6.520 2.550 1.00 0.00 O ATOM 68 NE2 GLN A 5 0.730 8.156 3.373 1.00 0.00 N ATOM 69 H GLN A 5 -1.830 7.315 -1.741 1.00 0.00 H ATOM 70 HA GLN A 5 0.476 8.992 -0.877 1.00 0.00 H ATOM 71 HB2 GLN A 5 -0.840 6.904 0.312 1.00 0.00 H ATOM 72 HB3 GLN A 5 0.522 6.061 -0.423 1.00 0.00 H ATOM 73 HG2 GLN A 5 2.004 6.956 1.023 1.00 0.00 H ATOM 74 HG3 GLN A 5 1.309 8.570 0.862 1.00 0.00 H ATOM 75 HE21 GLN A 5 1.418 8.841 3.240 1.00 0.00 H ATOM 76 HE22 GLN A 5 0.294 8.061 4.245 1.00 0.00 H ATOM 77 N CYS A 6 0.604 6.670 -3.232 1.00 0.00 N ATOM 78 CA CYS A 6 1.476 6.245 -4.369 1.00 0.00 C ATOM 79 C CYS A 6 1.099 7.001 -5.651 1.00 0.00 C ATOM 80 O CYS A 6 1.901 7.157 -6.523 1.00 0.00 O ATOM 81 CB CYS A 6 1.329 4.712 -4.527 1.00 0.00 C ATOM 82 SG CYS A 6 0.936 3.943 -2.946 1.00 0.00 S ATOM 83 H CYS A 6 -0.285 6.281 -3.119 1.00 0.00 H ATOM 84 HA CYS A 6 2.503 6.474 -4.136 1.00 0.00 H ATOM 85 HB2 CYS A 6 0.575 4.465 -5.253 1.00 0.00 H ATOM 86 HB3 CYS A 6 2.272 4.313 -4.864 1.00 0.00 H ATOM 87 N CYS A 7 -0.075 7.522 -5.784 1.00 0.00 N ATOM 88 CA CYS A 7 -0.351 8.291 -7.037 1.00 0.00 C ATOM 89 C CYS A 7 -0.021 9.754 -6.792 1.00 0.00 C ATOM 90 O CYS A 7 0.740 10.373 -7.509 1.00 0.00 O ATOM 91 CB CYS A 7 -1.841 8.158 -7.309 1.00 0.00 C ATOM 92 SG CYS A 7 -2.229 8.946 -8.897 1.00 0.00 S ATOM 93 H CYS A 7 -0.746 7.450 -5.074 1.00 0.00 H ATOM 94 HA CYS A 7 0.228 7.900 -7.864 1.00 0.00 H ATOM 95 HB2 CYS A 7 -2.122 7.128 -7.324 1.00 0.00 H ATOM 96 HB3 CYS A 7 -2.375 8.650 -6.530 1.00 0.00 H ATOM 97 N THR A 8 -0.603 10.299 -5.769 1.00 0.00 N ATOM 98 CA THR A 8 -0.364 11.724 -5.426 1.00 0.00 C ATOM 99 C THR A 8 0.895 11.863 -4.567 1.00 0.00 C ATOM 100 O THR A 8 1.036 12.802 -3.808 1.00 0.00 O ATOM 101 CB THR A 8 -1.596 12.119 -4.619 1.00 0.00 C ATOM 102 OG1 THR A 8 -2.759 11.924 -5.410 1.00 0.00 O ATOM 103 CG2 THR A 8 -1.496 13.585 -4.206 1.00 0.00 C ATOM 104 H THR A 8 -1.212 9.761 -5.220 1.00 0.00 H ATOM 105 HA THR A 8 -0.292 12.329 -6.316 1.00 0.00 H ATOM 106 HB THR A 8 -1.653 11.500 -3.734 1.00 0.00 H ATOM 107 HG1 THR A 8 -2.678 12.468 -6.197 1.00 0.00 H ATOM 108 HG21 THR A 8 -0.690 14.059 -4.749 1.00 0.00 H ATOM 109 HG22 THR A 8 -2.425 14.086 -4.432 1.00 0.00 H ATOM 110 HG23 THR A 8 -1.301 13.648 -3.145 1.00 0.00 H ATOM 111 N SER A 9 1.810 10.936 -4.666 1.00 0.00 N ATOM 112 CA SER A 9 3.046 11.025 -3.839 1.00 0.00 C ATOM 113 C SER A 9 3.822 9.712 -3.928 1.00 0.00 C ATOM 114 O SER A 9 3.518 8.851 -4.730 1.00 0.00 O ATOM 115 CB SER A 9 2.555 11.269 -2.409 1.00 0.00 C ATOM 116 OG SER A 9 3.231 10.396 -1.515 1.00 0.00 O ATOM 117 H SER A 9 1.684 10.180 -5.280 1.00 0.00 H ATOM 118 HA SER A 9 3.660 11.849 -4.166 1.00 0.00 H ATOM 119 HB2 SER A 9 2.757 12.289 -2.126 1.00 0.00 H ATOM 120 HB3 SER A 9 1.488 11.092 -2.363 1.00 0.00 H ATOM 121 HG SER A 9 2.905 10.567 -0.628 1.00 0.00 H ATOM 122 N ILE A 10 4.829 9.556 -3.119 1.00 0.00 N ATOM 123 CA ILE A 10 5.634 8.305 -3.162 1.00 0.00 C ATOM 124 C ILE A 10 5.379 7.441 -1.922 1.00 0.00 C ATOM 125 O ILE A 10 5.791 7.770 -0.827 1.00 0.00 O ATOM 126 CB ILE A 10 7.080 8.787 -3.174 1.00 0.00 C ATOM 127 CG1 ILE A 10 7.294 9.723 -4.364 1.00 0.00 C ATOM 128 CG2 ILE A 10 8.023 7.592 -3.285 1.00 0.00 C ATOM 129 CD1 ILE A 10 7.275 11.170 -3.874 1.00 0.00 C ATOM 130 H ILE A 10 5.062 10.268 -2.487 1.00 0.00 H ATOM 131 HA ILE A 10 5.425 7.749 -4.062 1.00 0.00 H ATOM 132 HB ILE A 10 7.282 9.316 -2.257 1.00 0.00 H ATOM 133 HG12 ILE A 10 8.247 9.509 -4.826 1.00 0.00 H ATOM 134 HG13 ILE A 10 6.502 9.578 -5.084 1.00 0.00 H ATOM 135 HG21 ILE A 10 7.455 6.706 -3.526 1.00 0.00 H ATOM 136 HG22 ILE A 10 8.748 7.778 -4.063 1.00 0.00 H ATOM 137 HG23 ILE A 10 8.533 7.450 -2.344 1.00 0.00 H ATOM 138 HD11 ILE A 10 7.955 11.275 -3.042 1.00 0.00 H ATOM 139 HD12 ILE A 10 7.581 11.825 -4.675 1.00 0.00 H ATOM 140 HD13 ILE A 10 6.276 11.428 -3.558 1.00 0.00 H ATOM 141 N CYS A 11 4.731 6.322 -2.093 1.00 0.00 N ATOM 142 CA CYS A 11 4.481 5.416 -0.930 1.00 0.00 C ATOM 143 C CYS A 11 5.431 4.215 -1.040 1.00 0.00 C ATOM 144 O CYS A 11 5.844 3.849 -2.122 1.00 0.00 O ATOM 145 CB CYS A 11 2.996 5.011 -1.028 1.00 0.00 C ATOM 146 SG CYS A 11 2.773 3.635 -2.184 1.00 0.00 S ATOM 147 H CYS A 11 4.432 6.066 -2.989 1.00 0.00 H ATOM 148 HA CYS A 11 4.659 5.945 -0.005 1.00 0.00 H ATOM 149 HB2 CYS A 11 2.636 4.716 -0.061 1.00 0.00 H ATOM 150 HB3 CYS A 11 2.422 5.858 -1.363 1.00 0.00 H ATOM 151 N SER A 12 5.816 3.619 0.058 1.00 0.00 N ATOM 152 CA SER A 12 6.777 2.475 -0.032 1.00 0.00 C ATOM 153 C SER A 12 6.105 1.121 0.097 1.00 0.00 C ATOM 154 O SER A 12 4.901 0.998 0.200 1.00 0.00 O ATOM 155 CB SER A 12 7.759 2.657 1.117 1.00 0.00 C ATOM 156 OG SER A 12 7.221 3.567 2.066 1.00 0.00 O ATOM 157 H SER A 12 5.496 3.933 0.931 1.00 0.00 H ATOM 158 HA SER A 12 7.315 2.524 -0.965 1.00 0.00 H ATOM 159 HB2 SER A 12 7.921 1.706 1.599 1.00 0.00 H ATOM 160 HB3 SER A 12 8.697 3.016 0.728 1.00 0.00 H ATOM 161 HG SER A 12 7.890 4.230 2.255 1.00 0.00 H ATOM 162 N LEU A 13 6.913 0.098 0.102 1.00 0.00 N ATOM 163 CA LEU A 13 6.381 -1.286 0.226 1.00 0.00 C ATOM 164 C LEU A 13 5.679 -1.444 1.577 1.00 0.00 C ATOM 165 O LEU A 13 4.564 -1.919 1.656 1.00 0.00 O ATOM 166 CB LEU A 13 7.616 -2.207 0.078 1.00 0.00 C ATOM 167 CG LEU A 13 7.619 -3.308 1.149 1.00 0.00 C ATOM 168 CD1 LEU A 13 8.348 -4.543 0.611 1.00 0.00 C ATOM 169 CD2 LEU A 13 8.339 -2.801 2.401 1.00 0.00 C ATOM 170 H LEU A 13 7.884 0.254 0.028 1.00 0.00 H ATOM 171 HA LEU A 13 5.689 -1.484 -0.566 1.00 0.00 H ATOM 172 HB2 LEU A 13 7.591 -2.669 -0.898 1.00 0.00 H ATOM 173 HB3 LEU A 13 8.519 -1.620 0.164 1.00 0.00 H ATOM 174 HG LEU A 13 6.602 -3.573 1.397 1.00 0.00 H ATOM 175 HD11 LEU A 13 8.681 -4.354 -0.398 1.00 0.00 H ATOM 176 HD12 LEU A 13 9.200 -4.759 1.237 1.00 0.00 H ATOM 177 HD13 LEU A 13 7.674 -5.387 0.617 1.00 0.00 H ATOM 178 HD21 LEU A 13 8.723 -1.809 2.219 1.00 0.00 H ATOM 179 HD22 LEU A 13 7.643 -2.772 3.227 1.00 0.00 H ATOM 180 HD23 LEU A 13 9.155 -3.466 2.642 1.00 0.00 H ATOM 181 N TYR A 14 6.316 -1.026 2.632 1.00 0.00 N ATOM 182 CA TYR A 14 5.689 -1.129 3.976 1.00 0.00 C ATOM 183 C TYR A 14 4.411 -0.300 4.010 1.00 0.00 C ATOM 184 O TYR A 14 3.428 -0.680 4.614 1.00 0.00 O ATOM 185 CB TYR A 14 6.717 -0.563 4.945 1.00 0.00 C ATOM 186 CG TYR A 14 6.174 -0.690 6.340 1.00 0.00 C ATOM 187 CD1 TYR A 14 5.334 0.304 6.851 1.00 0.00 C ATOM 188 CD2 TYR A 14 6.506 -1.803 7.121 1.00 0.00 C ATOM 189 CE1 TYR A 14 4.824 0.190 8.151 1.00 0.00 C ATOM 190 CE2 TYR A 14 5.996 -1.920 8.421 1.00 0.00 C ATOM 191 CZ TYR A 14 5.156 -0.922 8.937 1.00 0.00 C ATOM 192 OH TYR A 14 4.655 -1.037 10.217 1.00 0.00 O ATOM 193 H TYR A 14 7.198 -0.629 2.535 1.00 0.00 H ATOM 194 HA TYR A 14 5.480 -2.156 4.224 1.00 0.00 H ATOM 195 HB2 TYR A 14 7.641 -1.117 4.861 1.00 0.00 H ATOM 196 HB3 TYR A 14 6.893 0.478 4.720 1.00 0.00 H ATOM 197 HD1 TYR A 14 5.078 1.157 6.239 1.00 0.00 H ATOM 198 HD2 TYR A 14 7.150 -2.574 6.718 1.00 0.00 H ATOM 199 HE1 TYR A 14 4.176 0.958 8.547 1.00 0.00 H ATOM 200 HE2 TYR A 14 6.253 -2.777 9.026 1.00 0.00 H ATOM 201 HH TYR A 14 4.292 -0.184 10.470 1.00 0.00 H ATOM 202 N GLN A 15 4.407 0.821 3.348 1.00 0.00 N ATOM 203 CA GLN A 15 3.178 1.649 3.330 1.00 0.00 C ATOM 204 C GLN A 15 2.116 0.886 2.541 1.00 0.00 C ATOM 205 O GLN A 15 0.952 0.859 2.892 1.00 0.00 O ATOM 206 CB GLN A 15 3.586 2.953 2.636 1.00 0.00 C ATOM 207 CG GLN A 15 3.394 4.120 3.608 1.00 0.00 C ATOM 208 CD GLN A 15 4.441 5.200 3.332 1.00 0.00 C ATOM 209 OE1 GLN A 15 5.419 4.956 2.652 1.00 0.00 O ATOM 210 NE2 GLN A 15 4.278 6.393 3.836 1.00 0.00 N ATOM 211 H GLN A 15 5.201 1.105 2.847 1.00 0.00 H ATOM 212 HA GLN A 15 2.837 1.846 4.335 1.00 0.00 H ATOM 213 HB2 GLN A 15 4.627 2.893 2.348 1.00 0.00 H ATOM 214 HB3 GLN A 15 2.979 3.112 1.759 1.00 0.00 H ATOM 215 HG2 GLN A 15 2.405 4.536 3.481 1.00 0.00 H ATOM 216 HG3 GLN A 15 3.506 3.765 4.622 1.00 0.00 H ATOM 217 HE21 GLN A 15 3.490 6.589 4.386 1.00 0.00 H ATOM 218 HE22 GLN A 15 4.943 7.092 3.666 1.00 0.00 H ATOM 219 N LEU A 16 2.531 0.221 1.498 1.00 0.00 N ATOM 220 CA LEU A 16 1.574 -0.582 0.697 1.00 0.00 C ATOM 221 C LEU A 16 1.304 -1.902 1.421 1.00 0.00 C ATOM 222 O LEU A 16 0.311 -2.562 1.186 1.00 0.00 O ATOM 223 CB LEU A 16 2.278 -0.820 -0.636 1.00 0.00 C ATOM 224 CG LEU A 16 1.286 -0.634 -1.784 1.00 0.00 C ATOM 225 CD1 LEU A 16 1.189 0.850 -2.140 1.00 0.00 C ATOM 226 CD2 LEU A 16 1.773 -1.415 -3.006 1.00 0.00 C ATOM 227 H LEU A 16 3.481 0.230 1.260 1.00 0.00 H ATOM 228 HA LEU A 16 0.658 -0.039 0.546 1.00 0.00 H ATOM 229 HB2 LEU A 16 3.086 -0.111 -0.744 1.00 0.00 H ATOM 230 HB3 LEU A 16 2.674 -1.824 -0.662 1.00 0.00 H ATOM 231 HG LEU A 16 0.315 -0.998 -1.484 1.00 0.00 H ATOM 232 HD11 LEU A 16 1.676 1.436 -1.373 1.00 0.00 H ATOM 233 HD12 LEU A 16 1.675 1.025 -3.088 1.00 0.00 H ATOM 234 HD13 LEU A 16 0.151 1.138 -2.207 1.00 0.00 H ATOM 235 HD21 LEU A 16 2.307 -2.295 -2.682 1.00 0.00 H ATOM 236 HD22 LEU A 16 0.927 -1.709 -3.606 1.00 0.00 H ATOM 237 HD23 LEU A 16 2.431 -0.791 -3.592 1.00 0.00 H ATOM 238 N GLU A 17 2.181 -2.283 2.314 1.00 0.00 N ATOM 239 CA GLU A 17 1.968 -3.555 3.067 1.00 0.00 C ATOM 240 C GLU A 17 0.707 -3.437 3.913 1.00 0.00 C ATOM 241 O GLU A 17 0.146 -4.422 4.353 1.00 0.00 O ATOM 242 CB GLU A 17 3.188 -3.709 3.972 1.00 0.00 C ATOM 243 CG GLU A 17 4.377 -4.175 3.144 1.00 0.00 C ATOM 244 CD GLU A 17 5.075 -5.334 3.856 1.00 0.00 C ATOM 245 OE1 GLU A 17 4.389 -6.268 4.236 1.00 0.00 O ATOM 246 OE2 GLU A 17 6.284 -5.269 4.008 1.00 0.00 O ATOM 247 H GLU A 17 2.971 -1.728 2.494 1.00 0.00 H ATOM 248 HA GLU A 17 1.899 -4.390 2.390 1.00 0.00 H ATOM 249 HB2 GLU A 17 3.418 -2.761 4.432 1.00 0.00 H ATOM 250 HB3 GLU A 17 2.978 -4.439 4.738 1.00 0.00 H ATOM 251 HG2 GLU A 17 4.035 -4.498 2.171 1.00 0.00 H ATOM 252 HG3 GLU A 17 5.062 -3.358 3.032 1.00 0.00 H ATOM 253 N ASN A 18 0.251 -2.235 4.139 1.00 0.00 N ATOM 254 CA ASN A 18 -0.980 -2.053 4.951 1.00 0.00 C ATOM 255 C ASN A 18 -2.214 -2.445 4.135 1.00 0.00 C ATOM 256 O ASN A 18 -3.335 -2.272 4.571 1.00 0.00 O ATOM 257 CB ASN A 18 -1.010 -0.564 5.298 1.00 0.00 C ATOM 258 CG ASN A 18 -0.884 -0.394 6.812 1.00 0.00 C ATOM 259 OD1 ASN A 18 -1.772 -0.763 7.553 1.00 0.00 O ATOM 260 ND2 ASN A 18 0.192 0.154 7.306 1.00 0.00 N ATOM 261 H ASN A 18 0.717 -1.456 3.770 1.00 0.00 H ATOM 262 HA ASN A 18 -0.926 -2.639 5.855 1.00 0.00 H ATOM 263 HB2 ASN A 18 -0.187 -0.064 4.808 1.00 0.00 H ATOM 264 HB3 ASN A 18 -1.944 -0.134 4.966 1.00 0.00 H ATOM 265 HD21 ASN A 18 0.909 0.451 6.708 1.00 0.00 H ATOM 266 HD22 ASN A 18 0.284 0.266 8.276 1.00 0.00 H ATOM 267 N TYR A 19 -2.025 -2.972 2.953 1.00 0.00 N ATOM 268 CA TYR A 19 -3.205 -3.367 2.130 1.00 0.00 C ATOM 269 C TYR A 19 -3.198 -4.875 1.852 1.00 0.00 C ATOM 270 O TYR A 19 -4.094 -5.402 1.221 1.00 0.00 O ATOM 271 CB TYR A 19 -3.069 -2.563 0.837 1.00 0.00 C ATOM 272 CG TYR A 19 -3.100 -1.091 1.172 1.00 0.00 C ATOM 273 CD1 TYR A 19 -4.326 -0.451 1.404 1.00 0.00 C ATOM 274 CD2 TYR A 19 -1.905 -0.365 1.263 1.00 0.00 C ATOM 275 CE1 TYR A 19 -4.357 0.911 1.725 1.00 0.00 C ATOM 276 CE2 TYR A 19 -1.936 0.998 1.587 1.00 0.00 C ATOM 277 CZ TYR A 19 -3.161 1.635 1.821 1.00 0.00 C ATOM 278 OH TYR A 19 -3.190 2.977 2.138 1.00 0.00 O ATOM 279 H TYR A 19 -1.112 -3.106 2.608 1.00 0.00 H ATOM 280 HA TYR A 19 -4.117 -3.088 2.635 1.00 0.00 H ATOM 281 HB2 TYR A 19 -2.134 -2.808 0.353 1.00 0.00 H ATOM 282 HB3 TYR A 19 -3.891 -2.799 0.177 1.00 0.00 H ATOM 283 HD1 TYR A 19 -5.248 -1.009 1.330 1.00 0.00 H ATOM 284 HD2 TYR A 19 -0.959 -0.856 1.084 1.00 0.00 H ATOM 285 HE1 TYR A 19 -5.302 1.404 1.898 1.00 0.00 H ATOM 286 HE2 TYR A 19 -1.015 1.559 1.651 1.00 0.00 H ATOM 287 HH TYR A 19 -2.303 3.326 2.035 1.00 0.00 H ATOM 288 N CYS A 20 -2.201 -5.577 2.324 1.00 0.00 N ATOM 289 CA CYS A 20 -2.145 -7.050 2.095 1.00 0.00 C ATOM 290 C CYS A 20 -3.362 -7.734 2.741 1.00 0.00 C ATOM 291 O CYS A 20 -4.483 -7.548 2.312 1.00 0.00 O ATOM 292 CB CYS A 20 -0.844 -7.498 2.763 1.00 0.00 C ATOM 293 SG CYS A 20 0.523 -6.473 2.176 1.00 0.00 S ATOM 294 H CYS A 20 -1.492 -5.137 2.834 1.00 0.00 H ATOM 295 HA CYS A 20 -2.110 -7.265 1.039 1.00 0.00 H ATOM 296 HB2 CYS A 20 -0.935 -7.395 3.833 1.00 0.00 H ATOM 297 HB3 CYS A 20 -0.649 -8.532 2.515 1.00 0.00 H ATOM 298 N ASN A 21 -3.157 -8.521 3.769 1.00 0.00 N ATOM 299 CA ASN A 21 -4.308 -9.203 4.426 1.00 0.00 C ATOM 300 C ASN A 21 -4.880 -8.316 5.535 1.00 0.00 C ATOM 301 O ASN A 21 -5.139 -7.155 5.265 1.00 0.00 O ATOM 302 CB ASN A 21 -3.721 -10.487 5.012 1.00 0.00 C ATOM 303 CG ASN A 21 -2.547 -10.140 5.930 1.00 0.00 C ATOM 304 OD1 ASN A 21 -1.418 -10.061 5.488 1.00 0.00 O ATOM 305 ND2 ASN A 21 -2.768 -9.928 7.198 1.00 0.00 N ATOM 306 OXT ASN A 21 -5.049 -8.814 6.637 1.00 0.00 O ATOM 307 H ASN A 21 -2.251 -8.666 4.108 1.00 0.00 H ATOM 308 HA ASN A 21 -5.071 -9.442 3.701 1.00 0.00 H ATOM 309 HB2 ASN A 21 -4.482 -11.005 5.579 1.00 0.00 H ATOM 310 HB3 ASN A 21 -3.373 -11.122 4.211 1.00 0.00 H ATOM 311 HD21 ASN A 21 -3.678 -9.992 7.553 1.00 0.00 H ATOM 312 HD22 ASN A 21 -2.022 -9.703 7.794 1.00 0.00 H TER 313 ASN A 21 ATOM 314 N PHE B 1 12.302 -3.372 -2.392 1.00 0.00 N ATOM 315 CA PHE B 1 12.158 -1.988 -1.857 1.00 0.00 C ATOM 316 C PHE B 1 12.089 -0.984 -3.011 1.00 0.00 C ATOM 317 O PHE B 1 12.780 -1.113 -4.002 1.00 0.00 O ATOM 318 CB PHE B 1 13.414 -1.761 -1.011 1.00 0.00 C ATOM 319 CG PHE B 1 13.606 -0.281 -0.768 1.00 0.00 C ATOM 320 CD1 PHE B 1 12.508 0.525 -0.439 1.00 0.00 C ATOM 321 CD2 PHE B 1 14.883 0.284 -0.873 1.00 0.00 C ATOM 322 CE1 PHE B 1 12.690 1.897 -0.215 1.00 0.00 C ATOM 323 CE2 PHE B 1 15.065 1.655 -0.648 1.00 0.00 C ATOM 324 CZ PHE B 1 13.967 2.461 -0.319 1.00 0.00 C ATOM 325 H1 PHE B 1 11.487 -3.596 -2.996 1.00 0.00 H ATOM 326 H2 PHE B 1 13.175 -3.437 -2.953 1.00 0.00 H ATOM 327 H3 PHE B 1 12.345 -4.047 -1.601 1.00 0.00 H ATOM 328 HA PHE B 1 11.278 -1.914 -1.239 1.00 0.00 H ATOM 329 HB2 PHE B 1 13.306 -2.269 -0.064 1.00 0.00 H ATOM 330 HB3 PHE B 1 14.274 -2.152 -1.534 1.00 0.00 H ATOM 331 HD1 PHE B 1 11.522 0.091 -0.358 1.00 0.00 H ATOM 332 HD2 PHE B 1 15.730 -0.338 -1.126 1.00 0.00 H ATOM 333 HE1 PHE B 1 11.844 2.520 0.039 1.00 0.00 H ATOM 334 HE2 PHE B 1 16.050 2.090 -0.728 1.00 0.00 H ATOM 335 HZ PHE B 1 14.107 3.519 -0.146 1.00 0.00 H ATOM 336 N VAL B 2 11.258 0.015 -2.893 1.00 0.00 N ATOM 337 CA VAL B 2 11.144 1.023 -3.981 1.00 0.00 C ATOM 338 C VAL B 2 10.867 2.404 -3.387 1.00 0.00 C ATOM 339 O VAL B 2 10.960 2.608 -2.192 1.00 0.00 O ATOM 340 CB VAL B 2 9.965 0.554 -4.833 1.00 0.00 C ATOM 341 CG1 VAL B 2 10.332 -0.756 -5.532 1.00 0.00 C ATOM 342 CG2 VAL B 2 8.745 0.329 -3.937 1.00 0.00 C ATOM 343 H VAL B 2 10.707 0.102 -2.087 1.00 0.00 H ATOM 344 HA VAL B 2 12.044 1.042 -4.574 1.00 0.00 H ATOM 345 HB VAL B 2 9.737 1.306 -5.575 1.00 0.00 H ATOM 346 HG11 VAL B 2 11.306 -0.660 -5.988 1.00 0.00 H ATOM 347 HG12 VAL B 2 10.352 -1.557 -4.806 1.00 0.00 H ATOM 348 HG13 VAL B 2 9.598 -0.979 -6.292 1.00 0.00 H ATOM 349 HG21 VAL B 2 8.524 1.236 -3.396 1.00 0.00 H ATOM 350 HG22 VAL B 2 7.896 0.057 -4.546 1.00 0.00 H ATOM 351 HG23 VAL B 2 8.955 -0.465 -3.237 1.00 0.00 H ATOM 352 N ASN B 3 10.529 3.355 -4.211 1.00 0.00 N ATOM 353 CA ASN B 3 10.248 4.725 -3.691 1.00 0.00 C ATOM 354 C ASN B 3 9.732 5.629 -4.817 1.00 0.00 C ATOM 355 O ASN B 3 10.445 6.476 -5.318 1.00 0.00 O ATOM 356 CB ASN B 3 11.593 5.235 -3.171 1.00 0.00 C ATOM 357 CG ASN B 3 11.505 5.453 -1.660 1.00 0.00 C ATOM 358 OD1 ASN B 3 11.514 4.508 -0.896 1.00 0.00 O ATOM 359 ND2 ASN B 3 11.419 6.668 -1.192 1.00 0.00 N ATOM 360 H ASN B 3 10.461 3.168 -5.168 1.00 0.00 H ATOM 361 HA ASN B 3 9.536 4.680 -2.884 1.00 0.00 H ATOM 362 HB2 ASN B 3 12.362 4.508 -3.389 1.00 0.00 H ATOM 363 HB3 ASN B 3 11.834 6.170 -3.654 1.00 0.00 H ATOM 364 HD21 ASN B 3 11.410 7.431 -1.807 1.00 0.00 H ATOM 365 HD22 ASN B 3 11.362 6.818 -0.226 1.00 0.00 H ATOM 366 N GLN B 4 8.501 5.457 -5.219 1.00 0.00 N ATOM 367 CA GLN B 4 7.945 6.304 -6.311 1.00 0.00 C ATOM 368 C GLN B 4 6.420 6.389 -6.179 1.00 0.00 C ATOM 369 O GLN B 4 5.846 5.930 -5.208 1.00 0.00 O ATOM 370 CB GLN B 4 8.339 5.577 -7.600 1.00 0.00 C ATOM 371 CG GLN B 4 8.245 6.542 -8.782 1.00 0.00 C ATOM 372 CD GLN B 4 9.315 6.193 -9.816 1.00 0.00 C ATOM 373 OE1 GLN B 4 9.896 5.127 -9.770 1.00 0.00 O ATOM 374 NE2 GLN B 4 9.601 7.054 -10.754 1.00 0.00 N ATOM 375 H GLN B 4 7.942 4.767 -4.806 1.00 0.00 H ATOM 376 HA GLN B 4 8.384 7.289 -6.291 1.00 0.00 H ATOM 377 HB2 GLN B 4 9.353 5.216 -7.510 1.00 0.00 H ATOM 378 HB3 GLN B 4 7.673 4.742 -7.762 1.00 0.00 H ATOM 379 HG2 GLN B 4 7.267 6.463 -9.236 1.00 0.00 H ATOM 380 HG3 GLN B 4 8.400 7.554 -8.435 1.00 0.00 H ATOM 381 HE21 GLN B 4 9.131 7.912 -10.789 1.00 0.00 H ATOM 382 HE22 GLN B 4 10.285 6.841 -11.423 1.00 0.00 H ATOM 383 N HIS B 5 5.755 6.955 -7.149 1.00 0.00 N ATOM 384 CA HIS B 5 4.271 7.036 -7.067 1.00 0.00 C ATOM 385 C HIS B 5 3.658 5.869 -7.862 1.00 0.00 C ATOM 386 O HIS B 5 4.021 5.618 -8.993 1.00 0.00 O ATOM 387 CB HIS B 5 3.846 8.393 -7.667 1.00 0.00 C ATOM 388 CG HIS B 5 4.924 9.439 -7.492 1.00 0.00 C ATOM 389 ND1 HIS B 5 4.745 10.541 -6.667 1.00 0.00 N ATOM 390 CD2 HIS B 5 6.167 9.599 -8.059 1.00 0.00 C ATOM 391 CE1 HIS B 5 5.845 11.306 -6.766 1.00 0.00 C ATOM 392 NE2 HIS B 5 6.745 10.778 -7.599 1.00 0.00 N ATOM 393 H HIS B 5 6.225 7.305 -7.927 1.00 0.00 H ATOM 394 HA HIS B 5 3.959 6.980 -6.036 1.00 0.00 H ATOM 395 HB2 HIS B 5 3.625 8.273 -8.713 1.00 0.00 H ATOM 396 HB3 HIS B 5 2.955 8.735 -7.164 1.00 0.00 H ATOM 397 HD1 HIS B 5 3.964 10.723 -6.104 1.00 0.00 H ATOM 398 HD2 HIS B 5 6.630 8.912 -8.749 1.00 0.00 H ATOM 399 HE1 HIS B 5 5.975 12.245 -6.250 1.00 0.00 H ATOM 400 N LEU B 6 2.764 5.130 -7.255 1.00 0.00 N ATOM 401 CA LEU B 6 2.164 3.949 -7.949 1.00 0.00 C ATOM 402 C LEU B 6 0.699 4.122 -8.356 1.00 0.00 C ATOM 403 O LEU B 6 -0.015 3.150 -8.418 1.00 0.00 O ATOM 404 CB LEU B 6 2.228 2.820 -6.922 1.00 0.00 C ATOM 405 CG LEU B 6 3.658 2.606 -6.453 1.00 0.00 C ATOM 406 CD1 LEU B 6 3.648 1.944 -5.074 1.00 0.00 C ATOM 407 CD2 LEU B 6 4.358 1.691 -7.443 1.00 0.00 C ATOM 408 H LEU B 6 2.522 5.330 -6.336 1.00 0.00 H ATOM 409 HA LEU B 6 2.746 3.705 -8.802 1.00 0.00 H ATOM 410 HB2 LEU B 6 1.611 3.071 -6.078 1.00 0.00 H ATOM 411 HB3 LEU B 6 1.856 1.916 -7.366 1.00 0.00 H ATOM 412 HG LEU B 6 4.173 3.554 -6.402 1.00 0.00 H ATOM 413 HD11 LEU B 6 2.703 1.442 -4.923 1.00 0.00 H ATOM 414 HD12 LEU B 6 4.450 1.223 -5.014 1.00 0.00 H ATOM 415 HD13 LEU B 6 3.781 2.697 -4.312 1.00 0.00 H ATOM 416 HD21 LEU B 6 3.705 1.513 -8.285 1.00 0.00 H ATOM 417 HD22 LEU B 6 5.267 2.158 -7.780 1.00 0.00 H ATOM 418 HD23 LEU B 6 4.586 0.753 -6.958 1.00 0.00 H ATOM 419 N CYS B 7 0.244 5.304 -8.633 1.00 0.00 N ATOM 420 CA CYS B 7 -1.196 5.486 -9.027 1.00 0.00 C ATOM 421 C CYS B 7 -1.880 4.163 -9.406 1.00 0.00 C ATOM 422 O CYS B 7 -1.427 3.432 -10.262 1.00 0.00 O ATOM 423 CB CYS B 7 -1.186 6.462 -10.195 1.00 0.00 C ATOM 424 SG CYS B 7 -2.704 7.431 -10.141 1.00 0.00 S ATOM 425 H CYS B 7 0.836 6.075 -8.579 1.00 0.00 H ATOM 426 HA CYS B 7 -1.729 5.922 -8.212 1.00 0.00 H ATOM 427 HB2 CYS B 7 -0.337 7.125 -10.107 1.00 0.00 H ATOM 428 HB3 CYS B 7 -1.136 5.924 -11.125 1.00 0.00 H ATOM 429 N GLY B 8 -2.955 3.871 -8.714 1.00 0.00 N ATOM 430 CA GLY B 8 -3.748 2.610 -8.909 1.00 0.00 C ATOM 431 C GLY B 8 -3.130 1.635 -9.928 1.00 0.00 C ATOM 432 O GLY B 8 -2.716 0.555 -9.558 1.00 0.00 O ATOM 433 H GLY B 8 -3.245 4.498 -8.020 1.00 0.00 H ATOM 434 HA2 GLY B 8 -3.802 2.105 -7.957 1.00 0.00 H ATOM 435 HA3 GLY B 8 -4.749 2.866 -9.211 1.00 0.00 H ATOM 436 N SER B 9 -3.079 1.959 -11.199 1.00 0.00 N ATOM 437 CA SER B 9 -2.508 0.982 -12.163 1.00 0.00 C ATOM 438 C SER B 9 -1.120 0.541 -11.719 1.00 0.00 C ATOM 439 O SER B 9 -0.744 -0.611 -11.857 1.00 0.00 O ATOM 440 CB SER B 9 -2.449 1.718 -13.499 1.00 0.00 C ATOM 441 OG SER B 9 -3.286 1.054 -14.437 1.00 0.00 O ATOM 442 H SER B 9 -3.421 2.818 -11.524 1.00 0.00 H ATOM 443 HA SER B 9 -3.154 0.128 -12.240 1.00 0.00 H ATOM 444 HB2 SER B 9 -2.795 2.730 -13.371 1.00 0.00 H ATOM 445 HB3 SER B 9 -1.428 1.730 -13.859 1.00 0.00 H ATOM 446 HG SER B 9 -4.145 1.483 -14.425 1.00 0.00 H ATOM 447 N HIS B 10 -0.364 1.424 -11.146 1.00 0.00 N ATOM 448 CA HIS B 10 0.977 1.009 -10.675 1.00 0.00 C ATOM 449 C HIS B 10 0.779 0.325 -9.343 1.00 0.00 C ATOM 450 O HIS B 10 1.407 -0.663 -9.027 1.00 0.00 O ATOM 451 CB HIS B 10 1.791 2.290 -10.532 1.00 0.00 C ATOM 452 CG HIS B 10 2.626 2.490 -11.766 1.00 0.00 C ATOM 453 ND1 HIS B 10 2.066 2.561 -13.031 1.00 0.00 N ATOM 454 CD2 HIS B 10 3.978 2.636 -11.945 1.00 0.00 C ATOM 455 CE1 HIS B 10 3.069 2.744 -13.908 1.00 0.00 C ATOM 456 NE2 HIS B 10 4.256 2.797 -13.298 1.00 0.00 N ATOM 457 H HIS B 10 -0.693 2.338 -10.987 1.00 0.00 H ATOM 458 HA HIS B 10 1.440 0.337 -11.384 1.00 0.00 H ATOM 459 HB2 HIS B 10 1.125 3.129 -10.408 1.00 0.00 H ATOM 460 HB3 HIS B 10 2.434 2.206 -9.674 1.00 0.00 H ATOM 461 HD1 HIS B 10 1.113 2.490 -13.247 1.00 0.00 H ATOM 462 HD2 HIS B 10 4.715 2.629 -11.155 1.00 0.00 H ATOM 463 HE1 HIS B 10 2.931 2.839 -14.976 1.00 0.00 H ATOM 464 N LEU B 11 -0.125 0.833 -8.567 1.00 0.00 N ATOM 465 CA LEU B 11 -0.403 0.196 -7.267 1.00 0.00 C ATOM 466 C LEU B 11 -0.891 -1.212 -7.504 1.00 0.00 C ATOM 467 O LEU B 11 -0.340 -2.155 -6.991 1.00 0.00 O ATOM 468 CB LEU B 11 -1.522 0.997 -6.625 1.00 0.00 C ATOM 469 CG LEU B 11 -0.921 2.134 -5.813 1.00 0.00 C ATOM 470 CD1 LEU B 11 -2.032 3.076 -5.355 1.00 0.00 C ATOM 471 CD2 LEU B 11 -0.221 1.533 -4.598 1.00 0.00 C ATOM 472 H LEU B 11 -0.634 1.626 -8.852 1.00 0.00 H ATOM 473 HA LEU B 11 0.476 0.203 -6.639 1.00 0.00 H ATOM 474 HB2 LEU B 11 -2.175 1.378 -7.392 1.00 0.00 H ATOM 475 HB3 LEU B 11 -2.085 0.353 -5.963 1.00 0.00 H ATOM 476 HG LEU B 11 -0.208 2.675 -6.412 1.00 0.00 H ATOM 477 HD11 LEU B 11 -2.981 2.564 -5.406 1.00 0.00 H ATOM 478 HD12 LEU B 11 -1.843 3.386 -4.338 1.00 0.00 H ATOM 479 HD13 LEU B 11 -2.055 3.943 -5.998 1.00 0.00 H ATOM 480 HD21 LEU B 11 -0.130 0.464 -4.733 1.00 0.00 H ATOM 481 HD22 LEU B 11 0.760 1.967 -4.497 1.00 0.00 H ATOM 482 HD23 LEU B 11 -0.803 1.735 -3.713 1.00 0.00 H ATOM 483 N VAL B 12 -1.929 -1.383 -8.280 1.00 0.00 N ATOM 484 CA VAL B 12 -2.409 -2.752 -8.486 1.00 0.00 C ATOM 485 C VAL B 12 -1.229 -3.630 -8.901 1.00 0.00 C ATOM 486 O VAL B 12 -1.216 -4.815 -8.656 1.00 0.00 O ATOM 487 CB VAL B 12 -3.487 -2.652 -9.566 1.00 0.00 C ATOM 488 CG1 VAL B 12 -3.466 -3.887 -10.468 1.00 0.00 C ATOM 489 CG2 VAL B 12 -4.858 -2.542 -8.897 1.00 0.00 C ATOM 490 H VAL B 12 -2.387 -0.624 -8.716 1.00 0.00 H ATOM 491 HA VAL B 12 -2.835 -3.109 -7.566 1.00 0.00 H ATOM 492 HB VAL B 12 -3.310 -1.775 -10.159 1.00 0.00 H ATOM 493 HG11 VAL B 12 -3.211 -4.755 -9.880 1.00 0.00 H ATOM 494 HG12 VAL B 12 -4.440 -4.024 -10.911 1.00 0.00 H ATOM 495 HG13 VAL B 12 -2.730 -3.749 -11.246 1.00 0.00 H ATOM 496 HG21 VAL B 12 -4.749 -2.672 -7.831 1.00 0.00 H ATOM 497 HG22 VAL B 12 -5.280 -1.569 -9.100 1.00 0.00 H ATOM 498 HG23 VAL B 12 -5.511 -3.307 -9.289 1.00 0.00 H ATOM 499 N GLU B 13 -0.228 -3.052 -9.512 1.00 0.00 N ATOM 500 CA GLU B 13 0.949 -3.871 -9.917 1.00 0.00 C ATOM 501 C GLU B 13 2.037 -3.822 -8.830 1.00 0.00 C ATOM 502 O GLU B 13 2.914 -4.669 -8.775 1.00 0.00 O ATOM 503 CB GLU B 13 1.420 -3.262 -11.254 1.00 0.00 C ATOM 504 CG GLU B 13 2.610 -2.311 -11.056 1.00 0.00 C ATOM 505 CD GLU B 13 3.911 -3.046 -11.385 1.00 0.00 C ATOM 506 OE1 GLU B 13 4.132 -3.321 -12.554 1.00 0.00 O ATOM 507 OE2 GLU B 13 4.663 -3.321 -10.466 1.00 0.00 O ATOM 508 H GLU B 13 -0.248 -2.087 -9.694 1.00 0.00 H ATOM 509 HA GLU B 13 0.645 -4.889 -10.071 1.00 0.00 H ATOM 510 HB2 GLU B 13 1.714 -4.057 -11.921 1.00 0.00 H ATOM 511 HB3 GLU B 13 0.602 -2.714 -11.698 1.00 0.00 H ATOM 512 HG2 GLU B 13 2.502 -1.461 -11.713 1.00 0.00 H ATOM 513 HG3 GLU B 13 2.641 -1.971 -10.034 1.00 0.00 H ATOM 514 N ALA B 14 1.968 -2.866 -7.938 1.00 0.00 N ATOM 515 CA ALA B 14 2.984 -2.794 -6.855 1.00 0.00 C ATOM 516 C ALA B 14 2.372 -3.357 -5.589 1.00 0.00 C ATOM 517 O ALA B 14 3.055 -3.737 -4.660 1.00 0.00 O ATOM 518 CB ALA B 14 3.301 -1.307 -6.687 1.00 0.00 C ATOM 519 H ALA B 14 1.229 -2.216 -7.959 1.00 0.00 H ATOM 520 HA ALA B 14 3.872 -3.343 -7.128 1.00 0.00 H ATOM 521 HB1 ALA B 14 2.395 -0.770 -6.444 1.00 0.00 H ATOM 522 HB2 ALA B 14 4.018 -1.179 -5.888 1.00 0.00 H ATOM 523 HB3 ALA B 14 3.714 -0.919 -7.606 1.00 0.00 H ATOM 524 N LEU B 15 1.077 -3.427 -5.561 1.00 0.00 N ATOM 525 CA LEU B 15 0.386 -3.975 -4.385 1.00 0.00 C ATOM 526 C LEU B 15 0.210 -5.478 -4.603 1.00 0.00 C ATOM 527 O LEU B 15 0.125 -6.247 -3.666 1.00 0.00 O ATOM 528 CB LEU B 15 -0.926 -3.198 -4.371 1.00 0.00 C ATOM 529 CG LEU B 15 -2.072 -4.046 -3.829 1.00 0.00 C ATOM 530 CD1 LEU B 15 -1.703 -4.579 -2.447 1.00 0.00 C ATOM 531 CD2 LEU B 15 -3.331 -3.181 -3.714 1.00 0.00 C ATOM 532 H LEU B 15 0.546 -3.122 -6.334 1.00 0.00 H ATOM 533 HA LEU B 15 0.953 -3.783 -3.487 1.00 0.00 H ATOM 534 HB2 LEU B 15 -0.806 -2.316 -3.780 1.00 0.00 H ATOM 535 HB3 LEU B 15 -1.150 -2.903 -5.359 1.00 0.00 H ATOM 536 HG LEU B 15 -2.260 -4.866 -4.510 1.00 0.00 H ATOM 537 HD11 LEU B 15 -0.630 -4.649 -2.363 1.00 0.00 H ATOM 538 HD12 LEU B 15 -2.081 -3.905 -1.691 1.00 0.00 H ATOM 539 HD13 LEU B 15 -2.141 -5.556 -2.307 1.00 0.00 H ATOM 540 HD21 LEU B 15 -3.417 -2.554 -4.588 1.00 0.00 H ATOM 541 HD22 LEU B 15 -4.199 -3.819 -3.642 1.00 0.00 H ATOM 542 HD23 LEU B 15 -3.264 -2.563 -2.831 1.00 0.00 H ATOM 543 N TYR B 16 0.223 -5.912 -5.842 1.00 0.00 N ATOM 544 CA TYR B 16 0.129 -7.374 -6.107 1.00 0.00 C ATOM 545 C TYR B 16 1.526 -7.962 -5.950 1.00 0.00 C ATOM 546 O TYR B 16 1.714 -9.015 -5.376 1.00 0.00 O ATOM 547 CB TYR B 16 -0.349 -7.518 -7.566 1.00 0.00 C ATOM 548 CG TYR B 16 0.644 -8.333 -8.387 1.00 0.00 C ATOM 549 CD1 TYR B 16 0.643 -9.735 -8.301 1.00 0.00 C ATOM 550 CD2 TYR B 16 1.567 -7.688 -9.227 1.00 0.00 C ATOM 551 CE1 TYR B 16 1.556 -10.486 -9.053 1.00 0.00 C ATOM 552 CE2 TYR B 16 2.479 -8.443 -9.977 1.00 0.00 C ATOM 553 CZ TYR B 16 2.472 -9.840 -9.891 1.00 0.00 C ATOM 554 OH TYR B 16 3.372 -10.582 -10.630 1.00 0.00 O ATOM 555 H TYR B 16 0.338 -5.284 -6.590 1.00 0.00 H ATOM 556 HA TYR B 16 -0.565 -7.845 -5.430 1.00 0.00 H ATOM 557 HB2 TYR B 16 -1.306 -8.010 -7.586 1.00 0.00 H ATOM 558 HB3 TYR B 16 -0.449 -6.545 -7.996 1.00 0.00 H ATOM 559 HD1 TYR B 16 -0.056 -10.237 -7.652 1.00 0.00 H ATOM 560 HD2 TYR B 16 1.582 -6.613 -9.291 1.00 0.00 H ATOM 561 HE1 TYR B 16 1.553 -11.564 -8.985 1.00 0.00 H ATOM 562 HE2 TYR B 16 3.186 -7.946 -10.626 1.00 0.00 H ATOM 563 HH TYR B 16 3.091 -10.563 -11.548 1.00 0.00 H ATOM 564 N LEU B 17 2.509 -7.288 -6.490 1.00 0.00 N ATOM 565 CA LEU B 17 3.880 -7.829 -6.397 1.00 0.00 C ATOM 566 C LEU B 17 4.250 -7.856 -4.941 1.00 0.00 C ATOM 567 O LEU B 17 5.070 -8.635 -4.497 1.00 0.00 O ATOM 568 CB LEU B 17 4.793 -6.798 -7.055 1.00 0.00 C ATOM 569 CG LEU B 17 5.745 -7.435 -8.093 1.00 0.00 C ATOM 570 CD1 LEU B 17 5.976 -8.923 -7.804 1.00 0.00 C ATOM 571 CD2 LEU B 17 5.140 -7.283 -9.491 1.00 0.00 C ATOM 572 H LEU B 17 2.340 -6.447 -6.965 1.00 0.00 H ATOM 573 HA LEU B 17 3.950 -8.794 -6.865 1.00 0.00 H ATOM 574 HB2 LEU B 17 4.199 -6.040 -7.490 1.00 0.00 H ATOM 575 HB3 LEU B 17 5.401 -6.344 -6.285 1.00 0.00 H ATOM 576 HG LEU B 17 6.694 -6.919 -8.062 1.00 0.00 H ATOM 577 HD11 LEU B 17 5.908 -9.098 -6.742 1.00 0.00 H ATOM 578 HD12 LEU B 17 5.224 -9.507 -8.314 1.00 0.00 H ATOM 579 HD13 LEU B 17 6.955 -9.212 -8.156 1.00 0.00 H ATOM 580 HD21 LEU B 17 4.154 -6.848 -9.410 1.00 0.00 H ATOM 581 HD22 LEU B 17 5.769 -6.639 -10.087 1.00 0.00 H ATOM 582 HD23 LEU B 17 5.069 -8.252 -9.961 1.00 0.00 H ATOM 583 N VAL B 18 3.687 -6.945 -4.199 1.00 0.00 N ATOM 584 CA VAL B 18 4.060 -6.864 -2.791 1.00 0.00 C ATOM 585 C VAL B 18 3.146 -7.738 -1.923 1.00 0.00 C ATOM 586 O VAL B 18 3.533 -8.202 -0.868 1.00 0.00 O ATOM 587 CB VAL B 18 3.938 -5.378 -2.421 1.00 0.00 C ATOM 588 CG1 VAL B 18 2.499 -5.042 -2.015 1.00 0.00 C ATOM 589 CG2 VAL B 18 4.874 -5.070 -1.251 1.00 0.00 C ATOM 590 H VAL B 18 3.058 -6.295 -4.586 1.00 0.00 H ATOM 591 HA VAL B 18 5.080 -7.168 -2.718 1.00 0.00 H ATOM 592 HB VAL B 18 4.219 -4.776 -3.272 1.00 0.00 H ATOM 593 HG11 VAL B 18 1.819 -5.381 -2.780 1.00 0.00 H ATOM 594 HG12 VAL B 18 2.265 -5.529 -1.081 1.00 0.00 H ATOM 595 HG13 VAL B 18 2.402 -3.972 -1.895 1.00 0.00 H ATOM 596 HG21 VAL B 18 4.616 -5.697 -0.410 1.00 0.00 H ATOM 597 HG22 VAL B 18 5.895 -5.264 -1.545 1.00 0.00 H ATOM 598 HG23 VAL B 18 4.770 -4.032 -0.972 1.00 0.00 H ATOM 599 N CYS B 19 1.929 -7.953 -2.351 1.00 0.00 N ATOM 600 CA CYS B 19 0.985 -8.778 -1.542 1.00 0.00 C ATOM 601 C CYS B 19 -0.134 -9.334 -2.441 1.00 0.00 C ATOM 602 O CYS B 19 -1.297 -9.049 -2.233 1.00 0.00 O ATOM 603 CB CYS B 19 0.404 -7.795 -0.529 1.00 0.00 C ATOM 604 SG CYS B 19 1.507 -7.682 0.899 1.00 0.00 S ATOM 605 H CYS B 19 1.631 -7.558 -3.202 1.00 0.00 H ATOM 606 HA CYS B 19 1.507 -9.569 -1.018 1.00 0.00 H ATOM 607 HB2 CYS B 19 0.308 -6.820 -0.987 1.00 0.00 H ATOM 608 HB3 CYS B 19 -0.567 -8.139 -0.210 1.00 0.00 H ATOM 609 N GLY B 20 0.198 -10.101 -3.453 1.00 0.00 N ATOM 610 CA GLY B 20 -0.856 -10.632 -4.360 1.00 0.00 C ATOM 611 C GLY B 20 -1.529 -11.865 -3.756 1.00 0.00 C ATOM 612 O GLY B 20 -2.663 -11.818 -3.333 1.00 0.00 O ATOM 613 H GLY B 20 1.138 -10.314 -3.631 1.00 0.00 H ATOM 614 HA2 GLY B 20 -1.597 -9.873 -4.524 1.00 0.00 H ATOM 615 HA3 GLY B 20 -0.405 -10.897 -5.301 1.00 0.00 H ATOM 616 N GLU B 21 -0.849 -12.971 -3.731 1.00 0.00 N ATOM 617 CA GLU B 21 -1.456 -14.216 -3.170 1.00 0.00 C ATOM 618 C GLU B 21 -2.242 -13.923 -1.890 1.00 0.00 C ATOM 619 O GLU B 21 -3.149 -14.648 -1.528 1.00 0.00 O ATOM 620 CB GLU B 21 -0.271 -15.131 -2.865 1.00 0.00 C ATOM 621 CG GLU B 21 -0.244 -16.288 -3.865 1.00 0.00 C ATOM 622 CD GLU B 21 1.206 -16.693 -4.135 1.00 0.00 C ATOM 623 OE1 GLU B 21 1.829 -16.069 -4.976 1.00 0.00 O ATOM 624 OE2 GLU B 21 1.668 -17.624 -3.494 1.00 0.00 O ATOM 625 H GLU B 21 0.056 -12.989 -4.095 1.00 0.00 H ATOM 626 HA GLU B 21 -2.094 -14.679 -3.901 1.00 0.00 H ATOM 627 HB2 GLU B 21 0.647 -14.566 -2.943 1.00 0.00 H ATOM 628 HB3 GLU B 21 -0.369 -15.523 -1.865 1.00 0.00 H ATOM 629 HG2 GLU B 21 -0.786 -17.128 -3.455 1.00 0.00 H ATOM 630 HG3 GLU B 21 -0.708 -15.977 -4.789 1.00 0.00 H ATOM 631 N ARG B 22 -1.900 -12.878 -1.197 1.00 0.00 N ATOM 632 CA ARG B 22 -2.625 -12.553 0.066 1.00 0.00 C ATOM 633 C ARG B 22 -3.816 -11.632 -0.216 1.00 0.00 C ATOM 634 O ARG B 22 -4.562 -11.276 0.676 1.00 0.00 O ATOM 635 CB ARG B 22 -1.593 -11.840 0.940 1.00 0.00 C ATOM 636 CG ARG B 22 -0.511 -12.833 1.376 1.00 0.00 C ATOM 637 CD ARG B 22 -1.151 -13.977 2.165 1.00 0.00 C ATOM 638 NE ARG B 22 -0.412 -14.012 3.458 1.00 0.00 N ATOM 639 CZ ARG B 22 -0.119 -15.159 4.013 1.00 0.00 C ATOM 640 NH1 ARG B 22 -1.071 -15.999 4.313 1.00 0.00 N ATOM 641 NH2 ARG B 22 1.124 -15.460 4.273 1.00 0.00 N ATOM 642 H ARG B 22 -1.163 -12.313 -1.501 1.00 0.00 H ATOM 643 HA ARG B 22 -2.955 -13.457 0.552 1.00 0.00 H ATOM 644 HB2 ARG B 22 -1.140 -11.037 0.377 1.00 0.00 H ATOM 645 HB3 ARG B 22 -2.081 -11.435 1.815 1.00 0.00 H ATOM 646 HG2 ARG B 22 -0.013 -13.231 0.504 1.00 0.00 H ATOM 647 HG3 ARG B 22 0.209 -12.327 2.003 1.00 0.00 H ATOM 648 HD2 ARG B 22 -2.200 -13.776 2.333 1.00 0.00 H ATOM 649 HD3 ARG B 22 -1.026 -14.912 1.641 1.00 0.00 H ATOM 650 HE ARG B 22 -0.146 -13.175 3.892 1.00 0.00 H ATOM 651 HH11 ARG B 22 -2.023 -15.768 4.116 1.00 0.00 H ATOM 652 HH12 ARG B 22 -0.848 -16.877 4.740 1.00 0.00 H ATOM 653 HH21 ARG B 22 1.853 -14.815 4.045 1.00 0.00 H ATOM 654 HH22 ARG B 22 1.347 -16.338 4.699 1.00 0.00 H ATOM 655 N GLY B 23 -4.001 -11.242 -1.445 1.00 0.00 N ATOM 656 CA GLY B 23 -5.141 -10.345 -1.779 1.00 0.00 C ATOM 657 C GLY B 23 -4.999 -9.036 -1.002 1.00 0.00 C ATOM 658 O GLY B 23 -4.124 -8.888 -0.172 1.00 0.00 O ATOM 659 H GLY B 23 -3.388 -11.538 -2.150 1.00 0.00 H ATOM 660 HA2 GLY B 23 -5.138 -10.139 -2.841 1.00 0.00 H ATOM 661 HA3 GLY B 23 -6.069 -10.823 -1.506 1.00 0.00 H ATOM 662 N PHE B 24 -5.855 -8.085 -1.256 1.00 0.00 N ATOM 663 CA PHE B 24 -5.768 -6.792 -0.525 1.00 0.00 C ATOM 664 C PHE B 24 -7.114 -6.072 -0.558 1.00 0.00 C ATOM 665 O PHE B 24 -8.040 -6.483 -1.227 1.00 0.00 O ATOM 666 CB PHE B 24 -4.704 -5.958 -1.251 1.00 0.00 C ATOM 667 CG PHE B 24 -4.715 -6.252 -2.737 1.00 0.00 C ATOM 668 CD1 PHE B 24 -5.762 -5.783 -3.541 1.00 0.00 C ATOM 669 CD2 PHE B 24 -3.667 -6.987 -3.308 1.00 0.00 C ATOM 670 CE1 PHE B 24 -5.761 -6.051 -4.919 1.00 0.00 C ATOM 671 CE2 PHE B 24 -3.667 -7.253 -4.683 1.00 0.00 C ATOM 672 CZ PHE B 24 -4.712 -6.786 -5.488 1.00 0.00 C ATOM 673 H PHE B 24 -6.557 -8.220 -1.923 1.00 0.00 H ATOM 674 HA PHE B 24 -5.462 -6.961 0.496 1.00 0.00 H ATOM 675 HB2 PHE B 24 -4.909 -4.909 -1.097 1.00 0.00 H ATOM 676 HB3 PHE B 24 -3.734 -6.194 -0.845 1.00 0.00 H ATOM 677 HD1 PHE B 24 -6.570 -5.217 -3.102 1.00 0.00 H ATOM 678 HD2 PHE B 24 -2.861 -7.349 -2.688 1.00 0.00 H ATOM 679 HE1 PHE B 24 -6.567 -5.690 -5.542 1.00 0.00 H ATOM 680 HE2 PHE B 24 -2.859 -7.817 -5.120 1.00 0.00 H ATOM 681 HZ PHE B 24 -4.710 -6.992 -6.548 1.00 0.00 H ATOM 682 N PHE B 25 -7.219 -4.996 0.163 1.00 0.00 N ATOM 683 CA PHE B 25 -8.498 -4.230 0.187 1.00 0.00 C ATOM 684 C PHE B 25 -8.281 -2.840 -0.413 1.00 0.00 C ATOM 685 O PHE B 25 -8.236 -1.850 0.290 1.00 0.00 O ATOM 686 CB PHE B 25 -8.874 -4.125 1.667 1.00 0.00 C ATOM 687 CG PHE B 25 -10.038 -3.173 1.829 1.00 0.00 C ATOM 688 CD1 PHE B 25 -11.242 -3.416 1.154 1.00 0.00 C ATOM 689 CD2 PHE B 25 -9.912 -2.047 2.655 1.00 0.00 C ATOM 690 CE1 PHE B 25 -12.320 -2.533 1.306 1.00 0.00 C ATOM 691 CE2 PHE B 25 -10.990 -1.165 2.806 1.00 0.00 C ATOM 692 CZ PHE B 25 -12.194 -1.408 2.131 1.00 0.00 C ATOM 693 H PHE B 25 -6.451 -4.691 0.688 1.00 0.00 H ATOM 694 HA PHE B 25 -9.266 -4.760 -0.354 1.00 0.00 H ATOM 695 HB2 PHE B 25 -9.153 -5.100 2.037 1.00 0.00 H ATOM 696 HB3 PHE B 25 -8.029 -3.756 2.228 1.00 0.00 H ATOM 697 HD1 PHE B 25 -11.339 -4.283 0.518 1.00 0.00 H ATOM 698 HD2 PHE B 25 -8.984 -1.860 3.175 1.00 0.00 H ATOM 699 HE1 PHE B 25 -13.248 -2.720 0.786 1.00 0.00 H ATOM 700 HE2 PHE B 25 -10.893 -0.298 3.443 1.00 0.00 H ATOM 701 HZ PHE B 25 -13.024 -0.727 2.248 1.00 0.00 H ATOM 702 N TYR B 26 -8.140 -2.758 -1.707 1.00 0.00 N ATOM 703 CA TYR B 26 -7.920 -1.430 -2.345 1.00 0.00 C ATOM 704 C TYR B 26 -8.786 -1.279 -3.606 1.00 0.00 C ATOM 705 O TYR B 26 -8.421 -1.730 -4.673 1.00 0.00 O ATOM 706 CB TYR B 26 -6.429 -1.408 -2.714 1.00 0.00 C ATOM 707 CG TYR B 26 -6.238 -0.468 -3.878 1.00 0.00 C ATOM 708 CD1 TYR B 26 -6.700 0.847 -3.774 1.00 0.00 C ATOM 709 CD2 TYR B 26 -5.652 -0.919 -5.065 1.00 0.00 C ATOM 710 CE1 TYR B 26 -6.570 1.721 -4.856 1.00 0.00 C ATOM 711 CE2 TYR B 26 -5.526 -0.046 -6.153 1.00 0.00 C ATOM 712 CZ TYR B 26 -5.985 1.275 -6.049 1.00 0.00 C ATOM 713 OH TYR B 26 -5.858 2.136 -7.120 1.00 0.00 O ATOM 714 H TYR B 26 -8.173 -3.567 -2.257 1.00 0.00 H ATOM 715 HA TYR B 26 -8.134 -0.638 -1.644 1.00 0.00 H ATOM 716 HB2 TYR B 26 -5.849 -1.065 -1.870 1.00 0.00 H ATOM 717 HB3 TYR B 26 -6.110 -2.400 -2.995 1.00 0.00 H ATOM 718 HD1 TYR B 26 -7.147 1.187 -2.854 1.00 0.00 H ATOM 719 HD2 TYR B 26 -5.295 -1.938 -5.141 1.00 0.00 H ATOM 720 HE1 TYR B 26 -6.932 2.734 -4.773 1.00 0.00 H ATOM 721 HE2 TYR B 26 -5.080 -0.393 -7.069 1.00 0.00 H ATOM 722 HH TYR B 26 -6.618 2.010 -7.693 1.00 0.00 H ATOM 723 N THR B 27 -9.921 -0.651 -3.497 1.00 0.00 N ATOM 724 CA THR B 27 -10.788 -0.480 -4.701 1.00 0.00 C ATOM 725 C THR B 27 -11.115 1.000 -5.044 1.00 0.00 C ATOM 726 O THR B 27 -11.786 1.234 -6.029 1.00 0.00 O ATOM 727 CB THR B 27 -12.075 -1.205 -4.336 1.00 0.00 C ATOM 728 OG1 THR B 27 -13.080 -0.892 -5.293 1.00 0.00 O ATOM 729 CG2 THR B 27 -12.515 -0.742 -2.952 1.00 0.00 C ATOM 730 H THR B 27 -10.206 -0.303 -2.630 1.00 0.00 H ATOM 731 HA THR B 27 -10.340 -0.964 -5.551 1.00 0.00 H ATOM 732 HB THR B 27 -11.903 -2.270 -4.321 1.00 0.00 H ATOM 733 HG1 THR B 27 -13.932 -1.104 -4.908 1.00 0.00 H ATOM 734 HG21 THR B 27 -12.226 0.290 -2.813 1.00 0.00 H ATOM 735 HG22 THR B 27 -13.584 -0.835 -2.863 1.00 0.00 H ATOM 736 HG23 THR B 27 -12.033 -1.352 -2.203 1.00 0.00 H ATOM 737 N PRO B 28 -10.672 1.967 -4.257 1.00 0.00 N ATOM 738 CA PRO B 28 -11.005 3.379 -4.581 1.00 0.00 C ATOM 739 C PRO B 28 -10.245 3.854 -5.821 1.00 0.00 C ATOM 740 O PRO B 28 -9.203 3.335 -6.165 1.00 0.00 O ATOM 741 CB PRO B 28 -10.558 4.156 -3.350 1.00 0.00 C ATOM 742 CG PRO B 28 -9.503 3.310 -2.732 1.00 0.00 C ATOM 743 CD PRO B 28 -9.856 1.878 -3.037 1.00 0.00 C ATOM 744 HA PRO B 28 -12.067 3.495 -4.722 1.00 0.00 H ATOM 745 HB2 PRO B 28 -10.151 5.118 -3.632 1.00 0.00 H ATOM 746 HB3 PRO B 28 -11.380 4.279 -2.662 1.00 0.00 H ATOM 747 HG2 PRO B 28 -8.538 3.557 -3.155 1.00 0.00 H ATOM 748 HG3 PRO B 28 -9.493 3.465 -1.672 1.00 0.00 H ATOM 749 HD2 PRO B 28 -8.961 1.299 -3.214 1.00 0.00 H ATOM 750 HD3 PRO B 28 -10.435 1.455 -2.231 1.00 0.00 H ATOM 751 N LYS B 29 -10.770 4.851 -6.479 1.00 0.00 N ATOM 752 CA LYS B 29 -10.106 5.402 -7.699 1.00 0.00 C ATOM 753 C LYS B 29 -9.449 4.285 -8.519 1.00 0.00 C ATOM 754 O LYS B 29 -8.400 4.470 -9.102 1.00 0.00 O ATOM 755 CB LYS B 29 -9.044 6.361 -7.159 1.00 0.00 C ATOM 756 CG LYS B 29 -9.641 7.762 -7.008 1.00 0.00 C ATOM 757 CD LYS B 29 -8.829 8.550 -5.977 1.00 0.00 C ATOM 758 CE LYS B 29 -9.777 9.318 -5.052 1.00 0.00 C ATOM 759 NZ LYS B 29 -8.942 10.401 -4.460 1.00 0.00 N ATOM 760 H LYS B 29 -11.607 5.247 -6.161 1.00 0.00 H ATOM 761 HA LYS B 29 -10.815 5.945 -8.301 1.00 0.00 H ATOM 762 HB2 LYS B 29 -8.704 6.011 -6.196 1.00 0.00 H ATOM 763 HB3 LYS B 29 -8.211 6.400 -7.845 1.00 0.00 H ATOM 764 HG2 LYS B 29 -9.611 8.272 -7.960 1.00 0.00 H ATOM 765 HG3 LYS B 29 -10.665 7.684 -6.672 1.00 0.00 H ATOM 766 HD2 LYS B 29 -8.231 7.865 -5.394 1.00 0.00 H ATOM 767 HD3 LYS B 29 -8.182 9.248 -6.488 1.00 0.00 H ATOM 768 HE2 LYS B 29 -10.596 9.738 -5.620 1.00 0.00 H ATOM 769 HE3 LYS B 29 -10.148 8.670 -4.273 1.00 0.00 H ATOM 770 HZ1 LYS B 29 -7.938 10.129 -4.500 1.00 0.00 H ATOM 771 HZ2 LYS B 29 -9.084 11.281 -4.997 1.00 0.00 H ATOM 772 HZ3 LYS B 29 -9.221 10.553 -3.471 1.00 0.00 H ATOM 773 N THR B 30 -10.056 3.130 -8.572 1.00 0.00 N ATOM 774 CA THR B 30 -9.454 2.013 -9.359 1.00 0.00 C ATOM 775 C THR B 30 -9.127 2.483 -10.779 1.00 0.00 C ATOM 776 O THR B 30 -8.482 1.735 -11.496 1.00 0.00 O ATOM 777 CB THR B 30 -10.528 0.924 -9.389 1.00 0.00 C ATOM 778 OG1 THR B 30 -10.020 -0.219 -10.064 1.00 0.00 O ATOM 779 CG2 THR B 30 -11.764 1.446 -10.121 1.00 0.00 C ATOM 780 OXT THR B 30 -9.523 3.584 -11.125 1.00 0.00 O ATOM 781 H THR B 30 -10.902 2.996 -8.097 1.00 0.00 H ATOM 782 HA THR B 30 -8.567 1.642 -8.869 1.00 0.00 H ATOM 783 HB THR B 30 -10.798 0.656 -8.380 1.00 0.00 H ATOM 784 HG1 THR B 30 -10.208 -0.991 -9.524 1.00 0.00 H ATOM 785 HG21 THR B 30 -11.804 2.522 -10.037 1.00 0.00 H ATOM 786 HG22 THR B 30 -11.709 1.169 -11.165 1.00 0.00 H ATOM 787 HG23 THR B 30 -12.651 1.016 -9.681 1.00 0.00 H TER 788 THR B 30 ENDMDL MODEL 5 ATOM 1 N GLY A 1 -6.373 7.156 0.504 1.00 0.00 N ATOM 2 CA GLY A 1 -5.367 6.245 1.118 1.00 0.00 C ATOM 3 C GLY A 1 -4.348 5.816 0.060 1.00 0.00 C ATOM 4 O GLY A 1 -3.676 6.633 -0.537 1.00 0.00 O ATOM 5 H1 GLY A 1 -6.067 7.420 -0.453 1.00 0.00 H ATOM 6 H2 GLY A 1 -7.292 6.672 0.451 1.00 0.00 H ATOM 7 H3 GLY A 1 -6.465 8.013 1.089 1.00 0.00 H ATOM 8 HA2 GLY A 1 -4.858 6.760 1.920 1.00 0.00 H ATOM 9 HA3 GLY A 1 -5.863 5.371 1.509 1.00 0.00 H ATOM 10 N ILE A 2 -4.222 4.537 -0.169 1.00 0.00 N ATOM 11 CA ILE A 2 -3.237 4.053 -1.183 1.00 0.00 C ATOM 12 C ILE A 2 -3.320 4.893 -2.463 1.00 0.00 C ATOM 13 O ILE A 2 -2.332 5.120 -3.130 1.00 0.00 O ATOM 14 CB ILE A 2 -3.608 2.582 -1.457 1.00 0.00 C ATOM 15 CG1 ILE A 2 -3.075 2.159 -2.826 1.00 0.00 C ATOM 16 CG2 ILE A 2 -5.129 2.401 -1.433 1.00 0.00 C ATOM 17 CD1 ILE A 2 -2.841 0.647 -2.840 1.00 0.00 C ATOM 18 H ILE A 2 -4.770 3.895 0.331 1.00 0.00 H ATOM 19 HA ILE A 2 -2.244 4.105 -0.780 1.00 0.00 H ATOM 20 HB ILE A 2 -3.166 1.957 -0.701 1.00 0.00 H ATOM 21 HG12 ILE A 2 -3.797 2.418 -3.582 1.00 0.00 H ATOM 22 HG13 ILE A 2 -2.144 2.668 -3.025 1.00 0.00 H ATOM 23 HG21 ILE A 2 -5.607 3.369 -1.446 1.00 0.00 H ATOM 24 HG22 ILE A 2 -5.437 1.835 -2.301 1.00 0.00 H ATOM 25 HG23 ILE A 2 -5.414 1.869 -0.538 1.00 0.00 H ATOM 26 HD11 ILE A 2 -2.233 0.369 -1.991 1.00 0.00 H ATOM 27 HD12 ILE A 2 -3.791 0.135 -2.786 1.00 0.00 H ATOM 28 HD13 ILE A 2 -2.334 0.370 -3.752 1.00 0.00 H ATOM 29 N VAL A 3 -4.482 5.354 -2.809 1.00 0.00 N ATOM 30 CA VAL A 3 -4.622 6.174 -4.045 1.00 0.00 C ATOM 31 C VAL A 3 -4.035 7.568 -3.821 1.00 0.00 C ATOM 32 O VAL A 3 -3.832 8.325 -4.748 1.00 0.00 O ATOM 33 CB VAL A 3 -6.132 6.268 -4.296 1.00 0.00 C ATOM 34 CG1 VAL A 3 -6.386 6.637 -5.757 1.00 0.00 C ATOM 35 CG2 VAL A 3 -6.794 4.920 -3.998 1.00 0.00 C ATOM 36 H VAL A 3 -5.264 5.166 -2.257 1.00 0.00 H ATOM 37 HA VAL A 3 -4.139 5.689 -4.879 1.00 0.00 H ATOM 38 HB VAL A 3 -6.554 7.028 -3.655 1.00 0.00 H ATOM 39 HG11 VAL A 3 -5.457 6.590 -6.307 1.00 0.00 H ATOM 40 HG12 VAL A 3 -7.093 5.941 -6.185 1.00 0.00 H ATOM 41 HG13 VAL A 3 -6.788 7.637 -5.812 1.00 0.00 H ATOM 42 HG21 VAL A 3 -6.077 4.127 -4.142 1.00 0.00 H ATOM 43 HG22 VAL A 3 -7.144 4.909 -2.975 1.00 0.00 H ATOM 44 HG23 VAL A 3 -7.631 4.776 -4.666 1.00 0.00 H ATOM 45 N GLU A 4 -3.780 7.918 -2.591 1.00 0.00 N ATOM 46 CA GLU A 4 -3.228 9.271 -2.302 1.00 0.00 C ATOM 47 C GLU A 4 -1.743 9.216 -1.916 1.00 0.00 C ATOM 48 O GLU A 4 -1.089 10.235 -1.831 1.00 0.00 O ATOM 49 CB GLU A 4 -4.063 9.781 -1.127 1.00 0.00 C ATOM 50 CG GLU A 4 -3.417 11.040 -0.549 1.00 0.00 C ATOM 51 CD GLU A 4 -4.500 12.087 -0.279 1.00 0.00 C ATOM 52 OE1 GLU A 4 -5.654 11.702 -0.175 1.00 0.00 O ATOM 53 OE2 GLU A 4 -4.158 13.254 -0.181 1.00 0.00 O ATOM 54 H GLU A 4 -3.965 7.297 -1.855 1.00 0.00 H ATOM 55 HA GLU A 4 -3.368 9.919 -3.151 1.00 0.00 H ATOM 56 HB2 GLU A 4 -5.061 10.012 -1.470 1.00 0.00 H ATOM 57 HB3 GLU A 4 -4.111 9.020 -0.363 1.00 0.00 H ATOM 58 HG2 GLU A 4 -2.913 10.793 0.376 1.00 0.00 H ATOM 59 HG3 GLU A 4 -2.704 11.435 -1.255 1.00 0.00 H ATOM 60 N GLN A 5 -1.201 8.057 -1.657 1.00 0.00 N ATOM 61 CA GLN A 5 0.237 8.013 -1.254 1.00 0.00 C ATOM 62 C GLN A 5 1.150 7.658 -2.442 1.00 0.00 C ATOM 63 O GLN A 5 2.217 8.222 -2.584 1.00 0.00 O ATOM 64 CB GLN A 5 0.322 6.967 -0.133 1.00 0.00 C ATOM 65 CG GLN A 5 1.256 7.482 0.963 1.00 0.00 C ATOM 66 CD GLN A 5 0.428 7.951 2.162 1.00 0.00 C ATOM 67 OE1 GLN A 5 -0.759 7.701 2.232 1.00 0.00 O ATOM 68 NE2 GLN A 5 1.011 8.626 3.115 1.00 0.00 N ATOM 69 H GLN A 5 -1.731 7.235 -1.706 1.00 0.00 H ATOM 70 HA GLN A 5 0.525 8.977 -0.861 1.00 0.00 H ATOM 71 HB2 GLN A 5 -0.663 6.803 0.281 1.00 0.00 H ATOM 72 HB3 GLN A 5 0.711 6.038 -0.517 1.00 0.00 H ATOM 73 HG2 GLN A 5 1.920 6.688 1.272 1.00 0.00 H ATOM 74 HG3 GLN A 5 1.835 8.310 0.583 1.00 0.00 H ATOM 75 HE21 GLN A 5 1.967 8.828 3.058 1.00 0.00 H ATOM 76 HE22 GLN A 5 0.491 8.930 3.888 1.00 0.00 H ATOM 77 N CYS A 6 0.767 6.743 -3.301 1.00 0.00 N ATOM 78 CA CYS A 6 1.666 6.412 -4.451 1.00 0.00 C ATOM 79 C CYS A 6 1.290 7.219 -5.700 1.00 0.00 C ATOM 80 O CYS A 6 2.081 7.377 -6.584 1.00 0.00 O ATOM 81 CB CYS A 6 1.568 4.888 -4.698 1.00 0.00 C ATOM 82 SG CYS A 6 1.180 4.015 -3.168 1.00 0.00 S ATOM 83 H CYS A 6 -0.088 6.281 -3.193 1.00 0.00 H ATOM 84 HA CYS A 6 2.684 6.656 -4.189 1.00 0.00 H ATOM 85 HB2 CYS A 6 0.828 4.662 -5.446 1.00 0.00 H ATOM 86 HB3 CYS A 6 2.525 4.539 -5.048 1.00 0.00 H ATOM 87 N CYS A 7 0.124 7.769 -5.794 1.00 0.00 N ATOM 88 CA CYS A 7 -0.170 8.579 -7.018 1.00 0.00 C ATOM 89 C CYS A 7 0.205 10.029 -6.754 1.00 0.00 C ATOM 90 O CYS A 7 0.956 10.642 -7.487 1.00 0.00 O ATOM 91 CB CYS A 7 -1.670 8.480 -7.243 1.00 0.00 C ATOM 92 SG CYS A 7 -2.091 9.252 -8.832 1.00 0.00 S ATOM 93 H CYS A 7 -0.532 7.683 -5.072 1.00 0.00 H ATOM 94 HA CYS A 7 0.371 8.195 -7.872 1.00 0.00 H ATOM 95 HB2 CYS A 7 -1.975 7.457 -7.233 1.00 0.00 H ATOM 96 HB3 CYS A 7 -2.169 8.997 -6.456 1.00 0.00 H ATOM 97 N THR A 8 -0.318 10.575 -5.696 1.00 0.00 N ATOM 98 CA THR A 8 -0.014 11.989 -5.342 1.00 0.00 C ATOM 99 C THR A 8 1.293 12.070 -4.545 1.00 0.00 C ATOM 100 O THR A 8 1.507 12.990 -3.780 1.00 0.00 O ATOM 101 CB THR A 8 -1.192 12.423 -4.475 1.00 0.00 C ATOM 102 OG1 THR A 8 -2.375 12.448 -5.262 1.00 0.00 O ATOM 103 CG2 THR A 8 -0.926 13.817 -3.906 1.00 0.00 C ATOM 104 H THR A 8 -0.919 10.047 -5.129 1.00 0.00 H ATOM 105 HA THR A 8 0.042 12.602 -6.228 1.00 0.00 H ATOM 106 HB THR A 8 -1.315 11.722 -3.661 1.00 0.00 H ATOM 107 HG1 THR A 8 -2.192 12.955 -6.057 1.00 0.00 H ATOM 108 HG21 THR A 8 -0.062 14.245 -4.393 1.00 0.00 H ATOM 109 HG22 THR A 8 -1.785 14.446 -4.078 1.00 0.00 H ATOM 110 HG23 THR A 8 -0.740 13.744 -2.845 1.00 0.00 H ATOM 111 N SER A 9 2.168 11.113 -4.715 1.00 0.00 N ATOM 112 CA SER A 9 3.459 11.129 -3.968 1.00 0.00 C ATOM 113 C SER A 9 4.147 9.769 -4.113 1.00 0.00 C ATOM 114 O SER A 9 3.781 8.966 -4.949 1.00 0.00 O ATOM 115 CB SER A 9 3.083 11.394 -2.506 1.00 0.00 C ATOM 116 OG SER A 9 4.135 10.951 -1.659 1.00 0.00 O ATOM 117 H SER A 9 1.979 10.380 -5.337 1.00 0.00 H ATOM 118 HA SER A 9 4.098 11.917 -4.336 1.00 0.00 H ATOM 119 HB2 SER A 9 2.934 12.451 -2.357 1.00 0.00 H ATOM 120 HB3 SER A 9 2.169 10.866 -2.269 1.00 0.00 H ATOM 121 HG SER A 9 4.367 11.674 -1.071 1.00 0.00 H ATOM 122 N ILE A 10 5.139 9.502 -3.315 1.00 0.00 N ATOM 123 CA ILE A 10 5.839 8.193 -3.419 1.00 0.00 C ATOM 124 C ILE A 10 5.582 7.358 -2.167 1.00 0.00 C ATOM 125 O ILE A 10 5.921 7.749 -1.068 1.00 0.00 O ATOM 126 CB ILE A 10 7.320 8.546 -3.526 1.00 0.00 C ATOM 127 CG1 ILE A 10 7.566 9.349 -4.805 1.00 0.00 C ATOM 128 CG2 ILE A 10 8.150 7.264 -3.565 1.00 0.00 C ATOM 129 CD1 ILE A 10 8.116 10.727 -4.439 1.00 0.00 C ATOM 130 H ILE A 10 5.423 10.159 -2.649 1.00 0.00 H ATOM 131 HA ILE A 10 5.521 7.662 -4.302 1.00 0.00 H ATOM 132 HB ILE A 10 7.608 9.133 -2.668 1.00 0.00 H ATOM 133 HG12 ILE A 10 8.280 8.826 -5.426 1.00 0.00 H ATOM 134 HG13 ILE A 10 6.637 9.465 -5.343 1.00 0.00 H ATOM 135 HG21 ILE A 10 7.492 6.412 -3.651 1.00 0.00 H ATOM 136 HG22 ILE A 10 8.817 7.293 -4.414 1.00 0.00 H ATOM 137 HG23 ILE A 10 8.728 7.182 -2.656 1.00 0.00 H ATOM 138 HD11 ILE A 10 7.583 11.113 -3.583 1.00 0.00 H ATOM 139 HD12 ILE A 10 9.167 10.643 -4.201 1.00 0.00 H ATOM 140 HD13 ILE A 10 7.991 11.398 -5.276 1.00 0.00 H ATOM 141 N CYS A 11 4.999 6.205 -2.324 1.00 0.00 N ATOM 142 CA CYS A 11 4.739 5.340 -1.129 1.00 0.00 C ATOM 143 C CYS A 11 5.675 4.129 -1.181 1.00 0.00 C ATOM 144 O CYS A 11 6.144 3.748 -2.235 1.00 0.00 O ATOM 145 CB CYS A 11 3.255 4.940 -1.212 1.00 0.00 C ATOM 146 SG CYS A 11 3.017 3.637 -2.440 1.00 0.00 S ATOM 147 H CYS A 11 4.747 5.903 -3.221 1.00 0.00 H ATOM 148 HA CYS A 11 4.917 5.903 -0.224 1.00 0.00 H ATOM 149 HB2 CYS A 11 2.917 4.587 -0.255 1.00 0.00 H ATOM 150 HB3 CYS A 11 2.671 5.801 -1.485 1.00 0.00 H ATOM 151 N SER A 12 5.988 3.541 -0.058 1.00 0.00 N ATOM 152 CA SER A 12 6.936 2.386 -0.076 1.00 0.00 C ATOM 153 C SER A 12 6.236 1.043 -0.135 1.00 0.00 C ATOM 154 O SER A 12 5.026 0.937 -0.161 1.00 0.00 O ATOM 155 CB SER A 12 7.738 2.480 1.212 1.00 0.00 C ATOM 156 OG SER A 12 7.077 3.349 2.122 1.00 0.00 O ATOM 157 H SER A 12 5.627 3.871 0.794 1.00 0.00 H ATOM 158 HA SER A 12 7.607 2.481 -0.914 1.00 0.00 H ATOM 159 HB2 SER A 12 7.810 1.499 1.655 1.00 0.00 H ATOM 160 HB3 SER A 12 8.727 2.835 0.988 1.00 0.00 H ATOM 161 HG SER A 12 7.680 3.536 2.844 1.00 0.00 H ATOM 162 N LEU A 13 7.027 0.011 -0.148 1.00 0.00 N ATOM 163 CA LEU A 13 6.469 -1.369 -0.206 1.00 0.00 C ATOM 164 C LEU A 13 5.822 -1.725 1.133 1.00 0.00 C ATOM 165 O LEU A 13 4.879 -2.487 1.195 1.00 0.00 O ATOM 166 CB LEU A 13 7.671 -2.274 -0.543 1.00 0.00 C ATOM 167 CG LEU A 13 8.243 -2.935 0.717 1.00 0.00 C ATOM 168 CD1 LEU A 13 9.242 -4.020 0.310 1.00 0.00 C ATOM 169 CD2 LEU A 13 8.955 -1.885 1.573 1.00 0.00 C ATOM 170 H LEU A 13 8.001 0.155 -0.114 1.00 0.00 H ATOM 171 HA LEU A 13 5.737 -1.432 -0.991 1.00 0.00 H ATOM 172 HB2 LEU A 13 7.354 -3.041 -1.232 1.00 0.00 H ATOM 173 HB3 LEU A 13 8.443 -1.678 -1.010 1.00 0.00 H ATOM 174 HG LEU A 13 7.442 -3.385 1.285 1.00 0.00 H ATOM 175 HD11 LEU A 13 8.941 -4.449 -0.634 1.00 0.00 H ATOM 176 HD12 LEU A 13 10.225 -3.585 0.210 1.00 0.00 H ATOM 177 HD13 LEU A 13 9.264 -4.791 1.065 1.00 0.00 H ATOM 178 HD21 LEU A 13 8.629 -0.899 1.279 1.00 0.00 H ATOM 179 HD22 LEU A 13 8.719 -2.048 2.614 1.00 0.00 H ATOM 180 HD23 LEU A 13 10.021 -1.966 1.428 1.00 0.00 H ATOM 181 N TYR A 14 6.302 -1.151 2.197 1.00 0.00 N ATOM 182 CA TYR A 14 5.694 -1.427 3.522 1.00 0.00 C ATOM 183 C TYR A 14 4.471 -0.534 3.674 1.00 0.00 C ATOM 184 O TYR A 14 3.504 -0.881 4.321 1.00 0.00 O ATOM 185 CB TYR A 14 6.753 -1.069 4.563 1.00 0.00 C ATOM 186 CG TYR A 14 6.170 -1.275 5.940 1.00 0.00 C ATOM 187 CD1 TYR A 14 6.204 -2.545 6.532 1.00 0.00 C ATOM 188 CD2 TYR A 14 5.589 -0.198 6.623 1.00 0.00 C ATOM 189 CE1 TYR A 14 5.658 -2.737 7.807 1.00 0.00 C ATOM 190 CE2 TYR A 14 5.044 -0.391 7.899 1.00 0.00 C ATOM 191 CZ TYR A 14 5.079 -1.661 8.491 1.00 0.00 C ATOM 192 OH TYR A 14 4.543 -1.853 9.749 1.00 0.00 O ATOM 193 H TYR A 14 7.038 -0.520 2.117 1.00 0.00 H ATOM 194 HA TYR A 14 5.424 -2.467 3.605 1.00 0.00 H ATOM 195 HB2 TYR A 14 7.616 -1.707 4.435 1.00 0.00 H ATOM 196 HB3 TYR A 14 7.045 -0.036 4.446 1.00 0.00 H ATOM 197 HD1 TYR A 14 6.649 -3.376 6.003 1.00 0.00 H ATOM 198 HD2 TYR A 14 5.561 0.781 6.164 1.00 0.00 H ATOM 199 HE1 TYR A 14 5.685 -3.716 8.264 1.00 0.00 H ATOM 200 HE2 TYR A 14 4.596 0.439 8.426 1.00 0.00 H ATOM 201 HH TYR A 14 4.693 -2.768 9.999 1.00 0.00 H ATOM 202 N GLN A 15 4.501 0.612 3.043 1.00 0.00 N ATOM 203 CA GLN A 15 3.331 1.520 3.109 1.00 0.00 C ATOM 204 C GLN A 15 2.192 0.848 2.353 1.00 0.00 C ATOM 205 O GLN A 15 1.045 0.882 2.755 1.00 0.00 O ATOM 206 CB GLN A 15 3.790 2.807 2.417 1.00 0.00 C ATOM 207 CG GLN A 15 3.790 3.952 3.430 1.00 0.00 C ATOM 208 CD GLN A 15 2.363 4.473 3.615 1.00 0.00 C ATOM 209 OE1 GLN A 15 1.833 5.149 2.755 1.00 0.00 O ATOM 210 NE2 GLN A 15 1.717 4.186 4.711 1.00 0.00 N ATOM 211 H GLN A 15 5.283 0.855 2.502 1.00 0.00 H ATOM 212 HA GLN A 15 3.054 1.716 4.134 1.00 0.00 H ATOM 213 HB2 GLN A 15 4.789 2.669 2.030 1.00 0.00 H ATOM 214 HB3 GLN A 15 3.122 3.046 1.605 1.00 0.00 H ATOM 215 HG2 GLN A 15 4.167 3.593 4.376 1.00 0.00 H ATOM 216 HG3 GLN A 15 4.421 4.749 3.073 1.00 0.00 H ATOM 217 HE21 GLN A 15 2.145 3.641 5.404 1.00 0.00 H ATOM 218 HE22 GLN A 15 0.803 4.517 4.842 1.00 0.00 H ATOM 219 N LEU A 16 2.529 0.191 1.277 1.00 0.00 N ATOM 220 CA LEU A 16 1.511 -0.547 0.489 1.00 0.00 C ATOM 221 C LEU A 16 1.116 -1.797 1.278 1.00 0.00 C ATOM 222 O LEU A 16 0.066 -2.377 1.082 1.00 0.00 O ATOM 223 CB LEU A 16 2.238 -0.919 -0.806 1.00 0.00 C ATOM 224 CG LEU A 16 1.238 -1.093 -1.950 1.00 0.00 C ATOM 225 CD1 LEU A 16 0.479 0.213 -2.185 1.00 0.00 C ATOM 226 CD2 LEU A 16 2.002 -1.455 -3.223 1.00 0.00 C ATOM 227 H LEU A 16 3.470 0.155 1.005 1.00 0.00 H ATOM 228 HA LEU A 16 0.657 0.073 0.287 1.00 0.00 H ATOM 229 HB2 LEU A 16 2.936 -0.134 -1.060 1.00 0.00 H ATOM 230 HB3 LEU A 16 2.777 -1.843 -0.662 1.00 0.00 H ATOM 231 HG LEU A 16 0.541 -1.881 -1.708 1.00 0.00 H ATOM 232 HD11 LEU A 16 1.185 1.020 -2.317 1.00 0.00 H ATOM 233 HD12 LEU A 16 -0.127 0.117 -3.072 1.00 0.00 H ATOM 234 HD13 LEU A 16 -0.153 0.421 -1.337 1.00 0.00 H ATOM 235 HD21 LEU A 16 2.643 -2.300 -3.030 1.00 0.00 H ATOM 236 HD22 LEU A 16 1.300 -1.704 -4.004 1.00 0.00 H ATOM 237 HD23 LEU A 16 2.602 -0.613 -3.534 1.00 0.00 H ATOM 238 N GLU A 17 1.963 -2.200 2.185 1.00 0.00 N ATOM 239 CA GLU A 17 1.670 -3.399 3.019 1.00 0.00 C ATOM 240 C GLU A 17 0.355 -3.209 3.761 1.00 0.00 C ATOM 241 O GLU A 17 -0.378 -4.148 4.009 1.00 0.00 O ATOM 242 CB GLU A 17 2.815 -3.448 4.018 1.00 0.00 C ATOM 243 CG GLU A 17 3.101 -4.896 4.407 1.00 0.00 C ATOM 244 CD GLU A 17 1.802 -5.581 4.838 1.00 0.00 C ATOM 245 OE1 GLU A 17 1.157 -5.073 5.739 1.00 0.00 O ATOM 246 OE2 GLU A 17 1.475 -6.603 4.259 1.00 0.00 O ATOM 247 H GLU A 17 2.800 -1.702 2.324 1.00 0.00 H ATOM 248 HA GLU A 17 1.654 -4.294 2.421 1.00 0.00 H ATOM 249 HB2 GLU A 17 3.690 -3.010 3.573 1.00 0.00 H ATOM 250 HB3 GLU A 17 2.545 -2.889 4.901 1.00 0.00 H ATOM 251 HG2 GLU A 17 3.524 -5.419 3.562 1.00 0.00 H ATOM 252 HG3 GLU A 17 3.799 -4.908 5.227 1.00 0.00 H ATOM 253 N ASN A 18 0.054 -1.996 4.123 1.00 0.00 N ATOM 254 CA ASN A 18 -1.213 -1.716 4.867 1.00 0.00 C ATOM 255 C ASN A 18 -2.454 -1.910 3.980 1.00 0.00 C ATOM 256 O ASN A 18 -3.457 -1.250 4.165 1.00 0.00 O ATOM 257 CB ASN A 18 -1.095 -0.253 5.290 1.00 0.00 C ATOM 258 CG ASN A 18 -0.946 -0.167 6.810 1.00 0.00 C ATOM 259 OD1 ASN A 18 -1.355 -1.060 7.524 1.00 0.00 O ATOM 260 ND2 ASN A 18 -0.371 0.879 7.337 1.00 0.00 N ATOM 261 H ASN A 18 0.671 -1.263 3.913 1.00 0.00 H ATOM 262 HA ASN A 18 -1.278 -2.342 5.741 1.00 0.00 H ATOM 263 HB2 ASN A 18 -0.231 0.189 4.817 1.00 0.00 H ATOM 264 HB3 ASN A 18 -1.984 0.281 4.988 1.00 0.00 H ATOM 265 HD21 ASN A 18 -0.041 1.600 6.761 1.00 0.00 H ATOM 266 HD22 ASN A 18 -0.269 0.945 8.310 1.00 0.00 H ATOM 267 N TYR A 19 -2.410 -2.803 3.027 1.00 0.00 N ATOM 268 CA TYR A 19 -3.602 -3.012 2.161 1.00 0.00 C ATOM 269 C TYR A 19 -3.870 -4.510 1.964 1.00 0.00 C ATOM 270 O TYR A 19 -4.985 -4.915 1.706 1.00 0.00 O ATOM 271 CB TYR A 19 -3.254 -2.322 0.841 1.00 0.00 C ATOM 272 CG TYR A 19 -3.204 -0.831 1.078 1.00 0.00 C ATOM 273 CD1 TYR A 19 -4.377 -0.136 1.400 1.00 0.00 C ATOM 274 CD2 TYR A 19 -1.985 -0.146 0.994 1.00 0.00 C ATOM 275 CE1 TYR A 19 -4.331 1.244 1.636 1.00 0.00 C ATOM 276 CE2 TYR A 19 -1.938 1.233 1.232 1.00 0.00 C ATOM 277 CZ TYR A 19 -3.112 1.930 1.555 1.00 0.00 C ATOM 278 OH TYR A 19 -3.067 3.290 1.789 1.00 0.00 O ATOM 279 H TYR A 19 -1.606 -3.333 2.882 1.00 0.00 H ATOM 280 HA TYR A 19 -4.466 -2.538 2.601 1.00 0.00 H ATOM 281 HB2 TYR A 19 -2.291 -2.668 0.493 1.00 0.00 H ATOM 282 HB3 TYR A 19 -4.009 -2.546 0.104 1.00 0.00 H ATOM 283 HD1 TYR A 19 -5.318 -0.664 1.463 1.00 0.00 H ATOM 284 HD2 TYR A 19 -1.082 -0.680 0.745 1.00 0.00 H ATOM 285 HE1 TYR A 19 -5.236 1.780 1.881 1.00 0.00 H ATOM 286 HE2 TYR A 19 -0.997 1.761 1.164 1.00 0.00 H ATOM 287 HH TYR A 19 -2.335 3.465 2.384 1.00 0.00 H ATOM 288 N CYS A 20 -2.865 -5.340 2.094 1.00 0.00 N ATOM 289 CA CYS A 20 -3.088 -6.801 1.926 1.00 0.00 C ATOM 290 C CYS A 20 -3.250 -7.465 3.297 1.00 0.00 C ATOM 291 O CYS A 20 -3.188 -6.815 4.322 1.00 0.00 O ATOM 292 CB CYS A 20 -1.826 -7.308 1.237 1.00 0.00 C ATOM 293 SG CYS A 20 -0.395 -6.986 2.297 1.00 0.00 S ATOM 294 H CYS A 20 -1.971 -5.008 2.307 1.00 0.00 H ATOM 295 HA CYS A 20 -3.950 -6.988 1.307 1.00 0.00 H ATOM 296 HB2 CYS A 20 -1.912 -8.370 1.060 1.00 0.00 H ATOM 297 HB3 CYS A 20 -1.698 -6.795 0.296 1.00 0.00 H ATOM 298 N ASN A 21 -3.453 -8.752 3.325 1.00 0.00 N ATOM 299 CA ASN A 21 -3.613 -9.450 4.632 1.00 0.00 C ATOM 300 C ASN A 21 -4.604 -8.692 5.522 1.00 0.00 C ATOM 301 O ASN A 21 -5.430 -7.976 4.980 1.00 0.00 O ATOM 302 CB ASN A 21 -2.216 -9.445 5.255 1.00 0.00 C ATOM 303 CG ASN A 21 -1.228 -10.113 4.296 1.00 0.00 C ATOM 304 OD1 ASN A 21 -0.062 -9.771 4.272 1.00 0.00 O ATOM 305 ND2 ASN A 21 -1.648 -11.058 3.499 1.00 0.00 N ATOM 306 OXT ASN A 21 -4.518 -8.839 6.731 1.00 0.00 O ATOM 307 H ASN A 21 -3.498 -9.261 2.489 1.00 0.00 H ATOM 308 HA ASN A 21 -3.945 -10.465 4.479 1.00 0.00 H ATOM 309 HB2 ASN A 21 -1.909 -8.426 5.439 1.00 0.00 H ATOM 310 HB3 ASN A 21 -2.235 -9.991 6.188 1.00 0.00 H ATOM 311 HD21 ASN A 21 -2.589 -11.333 3.518 1.00 0.00 H ATOM 312 HD22 ASN A 21 -1.023 -11.491 2.881 1.00 0.00 H TER 313 ASN A 21 ATOM 314 N PHE B 1 10.223 -2.509 -9.399 1.00 0.00 N ATOM 315 CA PHE B 1 9.889 -1.812 -8.122 1.00 0.00 C ATOM 316 C PHE B 1 10.887 -0.679 -7.860 1.00 0.00 C ATOM 317 O PHE B 1 12.085 -0.876 -7.892 1.00 0.00 O ATOM 318 CB PHE B 1 10.005 -2.889 -7.044 1.00 0.00 C ATOM 319 CG PHE B 1 9.939 -2.247 -5.679 1.00 0.00 C ATOM 320 CD1 PHE B 1 8.928 -1.321 -5.389 1.00 0.00 C ATOM 321 CD2 PHE B 1 10.886 -2.580 -4.702 1.00 0.00 C ATOM 322 CE1 PHE B 1 8.865 -0.727 -4.122 1.00 0.00 C ATOM 323 CE2 PHE B 1 10.823 -1.986 -3.435 1.00 0.00 C ATOM 324 CZ PHE B 1 9.813 -1.060 -3.144 1.00 0.00 C ATOM 325 H1 PHE B 1 10.510 -1.809 -10.113 1.00 0.00 H ATOM 326 H2 PHE B 1 11.003 -3.176 -9.238 1.00 0.00 H ATOM 327 H3 PHE B 1 9.387 -3.028 -9.739 1.00 0.00 H ATOM 328 HA PHE B 1 8.881 -1.428 -8.153 1.00 0.00 H ATOM 329 HB2 PHE B 1 9.194 -3.595 -7.151 1.00 0.00 H ATOM 330 HB3 PHE B 1 10.947 -3.405 -7.151 1.00 0.00 H ATOM 331 HD1 PHE B 1 8.198 -1.064 -6.143 1.00 0.00 H ATOM 332 HD2 PHE B 1 11.665 -3.294 -4.927 1.00 0.00 H ATOM 333 HE1 PHE B 1 8.087 -0.012 -3.898 1.00 0.00 H ATOM 334 HE2 PHE B 1 11.554 -2.242 -2.682 1.00 0.00 H ATOM 335 HZ PHE B 1 9.764 -0.602 -2.168 1.00 0.00 H ATOM 336 N VAL B 2 10.400 0.505 -7.600 1.00 0.00 N ATOM 337 CA VAL B 2 11.319 1.652 -7.334 1.00 0.00 C ATOM 338 C VAL B 2 10.589 2.746 -6.547 1.00 0.00 C ATOM 339 O VAL B 2 9.484 3.129 -6.879 1.00 0.00 O ATOM 340 CB VAL B 2 11.719 2.168 -8.719 1.00 0.00 C ATOM 341 CG1 VAL B 2 12.574 1.118 -9.433 1.00 0.00 C ATOM 342 CG2 VAL B 2 10.461 2.445 -9.543 1.00 0.00 C ATOM 343 H VAL B 2 9.429 0.640 -7.577 1.00 0.00 H ATOM 344 HA VAL B 2 12.192 1.319 -6.797 1.00 0.00 H ATOM 345 HB VAL B 2 12.288 3.080 -8.610 1.00 0.00 H ATOM 346 HG11 VAL B 2 13.358 0.779 -8.772 1.00 0.00 H ATOM 347 HG12 VAL B 2 11.954 0.279 -9.713 1.00 0.00 H ATOM 348 HG13 VAL B 2 13.013 1.553 -10.318 1.00 0.00 H ATOM 349 HG21 VAL B 2 9.729 1.672 -9.355 1.00 0.00 H ATOM 350 HG22 VAL B 2 10.052 3.404 -9.264 1.00 0.00 H ATOM 351 HG23 VAL B 2 10.713 2.452 -10.593 1.00 0.00 H ATOM 352 N ASN B 3 11.199 3.255 -5.510 1.00 0.00 N ATOM 353 CA ASN B 3 10.539 4.327 -4.707 1.00 0.00 C ATOM 354 C ASN B 3 9.986 5.409 -5.636 1.00 0.00 C ATOM 355 O ASN B 3 10.713 6.246 -6.133 1.00 0.00 O ATOM 356 CB ASN B 3 11.644 4.898 -3.820 1.00 0.00 C ATOM 357 CG ASN B 3 12.166 3.801 -2.889 1.00 0.00 C ATOM 358 OD1 ASN B 3 11.410 3.221 -2.133 1.00 0.00 O ATOM 359 ND2 ASN B 3 13.432 3.490 -2.910 1.00 0.00 N ATOM 360 H ASN B 3 12.091 2.935 -5.261 1.00 0.00 H ATOM 361 HA ASN B 3 9.751 3.912 -4.098 1.00 0.00 H ATOM 362 HB2 ASN B 3 12.452 5.260 -4.440 1.00 0.00 H ATOM 363 HB3 ASN B 3 11.250 5.710 -3.230 1.00 0.00 H ATOM 364 HD21 ASN B 3 14.042 3.958 -3.519 1.00 0.00 H ATOM 365 HD22 ASN B 3 13.773 2.788 -2.317 1.00 0.00 H ATOM 366 N GLN B 4 8.705 5.393 -5.888 1.00 0.00 N ATOM 367 CA GLN B 4 8.116 6.411 -6.798 1.00 0.00 C ATOM 368 C GLN B 4 6.597 6.508 -6.566 1.00 0.00 C ATOM 369 O GLN B 4 6.074 6.020 -5.571 1.00 0.00 O ATOM 370 CB GLN B 4 8.446 5.870 -8.197 1.00 0.00 C ATOM 371 CG GLN B 4 8.271 6.972 -9.246 1.00 0.00 C ATOM 372 CD GLN B 4 9.368 6.848 -10.303 1.00 0.00 C ATOM 373 OE1 GLN B 4 10.055 7.805 -10.596 1.00 0.00 O ATOM 374 NE2 GLN B 4 9.564 5.700 -10.892 1.00 0.00 N ATOM 375 H GLN B 4 8.135 4.702 -5.490 1.00 0.00 H ATOM 376 HA GLN B 4 8.587 7.370 -6.650 1.00 0.00 H ATOM 377 HB2 GLN B 4 9.471 5.528 -8.210 1.00 0.00 H ATOM 378 HB3 GLN B 4 7.793 5.040 -8.430 1.00 0.00 H ATOM 379 HG2 GLN B 4 7.303 6.870 -9.715 1.00 0.00 H ATOM 380 HG3 GLN B 4 8.340 7.937 -8.769 1.00 0.00 H ATOM 381 HE21 GLN B 4 9.011 4.926 -10.656 1.00 0.00 H ATOM 382 HE22 GLN B 4 10.265 5.611 -11.572 1.00 0.00 H ATOM 383 N HIS B 5 5.878 7.126 -7.474 1.00 0.00 N ATOM 384 CA HIS B 5 4.404 7.231 -7.307 1.00 0.00 C ATOM 385 C HIS B 5 3.741 6.096 -8.105 1.00 0.00 C ATOM 386 O HIS B 5 4.075 5.850 -9.246 1.00 0.00 O ATOM 387 CB HIS B 5 3.981 8.612 -7.853 1.00 0.00 C ATOM 388 CG HIS B 5 5.095 9.622 -7.701 1.00 0.00 C ATOM 389 ND1 HIS B 5 5.024 10.659 -6.783 1.00 0.00 N ATOM 390 CD2 HIS B 5 6.298 9.779 -8.347 1.00 0.00 C ATOM 391 CE1 HIS B 5 6.148 11.384 -6.901 1.00 0.00 C ATOM 392 NE2 HIS B 5 6.960 10.892 -7.839 1.00 0.00 N ATOM 393 H HIS B 5 6.304 7.507 -8.261 1.00 0.00 H ATOM 394 HA HIS B 5 4.143 7.151 -6.263 1.00 0.00 H ATOM 395 HB2 HIS B 5 3.711 8.524 -8.890 1.00 0.00 H ATOM 396 HB3 HIS B 5 3.122 8.961 -7.300 1.00 0.00 H ATOM 397 HD1 HIS B 5 4.284 10.836 -6.168 1.00 0.00 H ATOM 398 HD2 HIS B 5 6.674 9.135 -9.127 1.00 0.00 H ATOM 399 HE1 HIS B 5 6.367 12.260 -6.309 1.00 0.00 H ATOM 400 N LEU B 6 2.843 5.369 -7.493 1.00 0.00 N ATOM 401 CA LEU B 6 2.210 4.214 -8.196 1.00 0.00 C ATOM 402 C LEU B 6 0.717 4.380 -8.490 1.00 0.00 C ATOM 403 O LEU B 6 0.005 3.402 -8.509 1.00 0.00 O ATOM 404 CB LEU B 6 2.371 3.048 -7.225 1.00 0.00 C ATOM 405 CG LEU B 6 3.840 2.817 -6.902 1.00 0.00 C ATOM 406 CD1 LEU B 6 3.965 2.221 -5.498 1.00 0.00 C ATOM 407 CD2 LEU B 6 4.415 1.837 -7.911 1.00 0.00 C ATOM 408 H LEU B 6 2.625 5.555 -6.565 1.00 0.00 H ATOM 409 HA LEU B 6 2.734 4.014 -9.100 1.00 0.00 H ATOM 410 HB2 LEU B 6 1.839 3.271 -6.315 1.00 0.00 H ATOM 411 HB3 LEU B 6 1.954 2.158 -7.665 1.00 0.00 H ATOM 412 HG LEU B 6 4.378 3.753 -6.952 1.00 0.00 H ATOM 413 HD11 LEU B 6 2.982 1.961 -5.130 1.00 0.00 H ATOM 414 HD12 LEU B 6 4.580 1.333 -5.536 1.00 0.00 H ATOM 415 HD13 LEU B 6 4.417 2.944 -4.837 1.00 0.00 H ATOM 416 HD21 LEU B 6 4.218 2.197 -8.908 1.00 0.00 H ATOM 417 HD22 LEU B 6 5.478 1.750 -7.759 1.00 0.00 H ATOM 418 HD23 LEU B 6 3.947 0.873 -7.775 1.00 0.00 H ATOM 419 N CYS B 7 0.236 5.563 -8.729 1.00 0.00 N ATOM 420 CA CYS B 7 -1.229 5.742 -9.021 1.00 0.00 C ATOM 421 C CYS B 7 -1.936 4.416 -9.355 1.00 0.00 C ATOM 422 O CYS B 7 -1.539 3.685 -10.239 1.00 0.00 O ATOM 423 CB CYS B 7 -1.303 6.713 -10.192 1.00 0.00 C ATOM 424 SG CYS B 7 -2.765 7.744 -9.990 1.00 0.00 S ATOM 425 H CYS B 7 0.829 6.339 -8.720 1.00 0.00 H ATOM 426 HA CYS B 7 -1.706 6.179 -8.171 1.00 0.00 H ATOM 427 HB2 CYS B 7 -0.423 7.341 -10.198 1.00 0.00 H ATOM 428 HB3 CYS B 7 -1.372 6.169 -11.117 1.00 0.00 H ATOM 429 N GLY B 8 -2.966 4.126 -8.600 1.00 0.00 N ATOM 430 CA GLY B 8 -3.772 2.869 -8.747 1.00 0.00 C ATOM 431 C GLY B 8 -3.214 1.881 -9.790 1.00 0.00 C ATOM 432 O GLY B 8 -2.771 0.808 -9.432 1.00 0.00 O ATOM 433 H GLY B 8 -3.213 4.755 -7.890 1.00 0.00 H ATOM 434 HA2 GLY B 8 -3.781 2.369 -7.793 1.00 0.00 H ATOM 435 HA3 GLY B 8 -4.785 3.129 -9.002 1.00 0.00 H ATOM 436 N SER B 9 -3.247 2.185 -11.069 1.00 0.00 N ATOM 437 CA SER B 9 -2.736 1.193 -12.053 1.00 0.00 C ATOM 438 C SER B 9 -1.325 0.750 -11.681 1.00 0.00 C ATOM 439 O SER B 9 -0.965 -0.416 -11.794 1.00 0.00 O ATOM 440 CB SER B 9 -2.737 1.919 -13.398 1.00 0.00 C ATOM 441 OG SER B 9 -3.819 1.440 -14.188 1.00 0.00 O ATOM 442 H SER B 9 -3.616 3.037 -11.384 1.00 0.00 H ATOM 443 HA SER B 9 -3.391 0.345 -12.093 1.00 0.00 H ATOM 444 HB2 SER B 9 -2.855 2.977 -13.240 1.00 0.00 H ATOM 445 HB3 SER B 9 -1.799 1.734 -13.905 1.00 0.00 H ATOM 446 HG SER B 9 -3.964 0.517 -13.967 1.00 0.00 H ATOM 447 N HIS B 10 -0.529 1.652 -11.198 1.00 0.00 N ATOM 448 CA HIS B 10 0.843 1.259 -10.807 1.00 0.00 C ATOM 449 C HIS B 10 0.739 0.570 -9.464 1.00 0.00 C ATOM 450 O HIS B 10 1.414 -0.400 -9.182 1.00 0.00 O ATOM 451 CB HIS B 10 1.632 2.563 -10.723 1.00 0.00 C ATOM 452 CG HIS B 10 2.329 2.819 -12.031 1.00 0.00 C ATOM 453 ND1 HIS B 10 3.620 3.321 -12.094 1.00 0.00 N ATOM 454 CD2 HIS B 10 1.928 2.655 -13.333 1.00 0.00 C ATOM 455 CE1 HIS B 10 3.946 3.440 -13.394 1.00 0.00 C ATOM 456 NE2 HIS B 10 2.950 3.048 -14.192 1.00 0.00 N ATOM 457 H HIS B 10 -0.848 2.574 -11.056 1.00 0.00 H ATOM 458 HA HIS B 10 1.275 0.600 -11.543 1.00 0.00 H ATOM 459 HB2 HIS B 10 0.955 3.376 -10.519 1.00 0.00 H ATOM 460 HB3 HIS B 10 2.360 2.488 -9.935 1.00 0.00 H ATOM 461 HD1 HIS B 10 4.191 3.552 -11.331 1.00 0.00 H ATOM 462 HD2 HIS B 10 0.963 2.283 -13.643 1.00 0.00 H ATOM 463 HE1 HIS B 10 4.898 3.808 -13.750 1.00 0.00 H ATOM 464 N LEU B 11 -0.139 1.060 -8.644 1.00 0.00 N ATOM 465 CA LEU B 11 -0.341 0.437 -7.319 1.00 0.00 C ATOM 466 C LEU B 11 -0.876 -0.969 -7.484 1.00 0.00 C ATOM 467 O LEU B 11 -0.333 -1.908 -6.945 1.00 0.00 O ATOM 468 CB LEU B 11 -1.400 1.272 -6.624 1.00 0.00 C ATOM 469 CG LEU B 11 -0.716 2.383 -5.850 1.00 0.00 C ATOM 470 CD1 LEU B 11 -1.766 3.321 -5.260 1.00 0.00 C ATOM 471 CD2 LEU B 11 0.096 1.739 -4.731 1.00 0.00 C ATOM 472 H LEU B 11 -0.675 1.839 -8.911 1.00 0.00 H ATOM 473 HA LEU B 11 0.576 0.443 -6.748 1.00 0.00 H ATOM 474 HB2 LEU B 11 -2.078 1.677 -7.357 1.00 0.00 H ATOM 475 HB3 LEU B 11 -1.951 0.650 -5.934 1.00 0.00 H ATOM 476 HG LEU B 11 -0.060 2.935 -6.502 1.00 0.00 H ATOM 477 HD11 LEU B 11 -2.665 2.764 -5.043 1.00 0.00 H ATOM 478 HD12 LEU B 11 -1.382 3.757 -4.350 1.00 0.00 H ATOM 479 HD13 LEU B 11 -1.989 4.104 -5.969 1.00 0.00 H ATOM 480 HD21 LEU B 11 0.077 0.664 -4.853 1.00 0.00 H ATOM 481 HD22 LEU B 11 1.116 2.087 -4.779 1.00 0.00 H ATOM 482 HD23 LEU B 11 -0.333 2.000 -3.776 1.00 0.00 H ATOM 483 N VAL B 12 -1.951 -1.136 -8.213 1.00 0.00 N ATOM 484 CA VAL B 12 -2.489 -2.491 -8.355 1.00 0.00 C ATOM 485 C VAL B 12 -1.350 -3.432 -8.736 1.00 0.00 C ATOM 486 O VAL B 12 -1.356 -4.594 -8.392 1.00 0.00 O ATOM 487 CB VAL B 12 -3.565 -2.386 -9.436 1.00 0.00 C ATOM 488 CG1 VAL B 12 -3.583 -3.640 -10.309 1.00 0.00 C ATOM 489 CG2 VAL B 12 -4.931 -2.218 -8.769 1.00 0.00 C ATOM 490 H VAL B 12 -2.403 -0.376 -8.654 1.00 0.00 H ATOM 491 HA VAL B 12 -2.929 -2.787 -7.424 1.00 0.00 H ATOM 492 HB VAL B 12 -3.361 -1.531 -10.047 1.00 0.00 H ATOM 493 HG11 VAL B 12 -3.407 -4.509 -9.693 1.00 0.00 H ATOM 494 HG12 VAL B 12 -4.544 -3.727 -10.790 1.00 0.00 H ATOM 495 HG13 VAL B 12 -2.809 -3.566 -11.058 1.00 0.00 H ATOM 496 HG21 VAL B 12 -4.866 -1.460 -8.004 1.00 0.00 H ATOM 497 HG22 VAL B 12 -5.660 -1.921 -9.510 1.00 0.00 H ATOM 498 HG23 VAL B 12 -5.232 -3.155 -8.323 1.00 0.00 H ATOM 499 N GLU B 13 -0.357 -2.935 -9.427 1.00 0.00 N ATOM 500 CA GLU B 13 0.785 -3.821 -9.793 1.00 0.00 C ATOM 501 C GLU B 13 1.878 -3.763 -8.719 1.00 0.00 C ATOM 502 O GLU B 13 2.736 -4.627 -8.650 1.00 0.00 O ATOM 503 CB GLU B 13 1.311 -3.281 -11.122 1.00 0.00 C ATOM 504 CG GLU B 13 2.395 -4.220 -11.658 1.00 0.00 C ATOM 505 CD GLU B 13 3.599 -3.397 -12.125 1.00 0.00 C ATOM 506 OE1 GLU B 13 4.383 -3.001 -11.279 1.00 0.00 O ATOM 507 OE2 GLU B 13 3.716 -3.181 -13.320 1.00 0.00 O ATOM 508 H GLU B 13 -0.357 -1.987 -9.690 1.00 0.00 H ATOM 509 HA GLU B 13 0.441 -4.831 -9.915 1.00 0.00 H ATOM 510 HB2 GLU B 13 0.501 -3.221 -11.834 1.00 0.00 H ATOM 511 HB3 GLU B 13 1.732 -2.299 -10.970 1.00 0.00 H ATOM 512 HG2 GLU B 13 2.704 -4.897 -10.876 1.00 0.00 H ATOM 513 HG3 GLU B 13 2.004 -4.784 -12.491 1.00 0.00 H ATOM 514 N ALA B 14 1.844 -2.781 -7.858 1.00 0.00 N ATOM 515 CA ALA B 14 2.880 -2.707 -6.792 1.00 0.00 C ATOM 516 C ALA B 14 2.284 -3.252 -5.515 1.00 0.00 C ATOM 517 O ALA B 14 2.976 -3.636 -4.598 1.00 0.00 O ATOM 518 CB ALA B 14 3.212 -1.220 -6.636 1.00 0.00 C ATOM 519 H ALA B 14 1.123 -2.112 -7.888 1.00 0.00 H ATOM 520 HA ALA B 14 3.759 -3.266 -7.074 1.00 0.00 H ATOM 521 HB1 ALA B 14 2.543 -0.632 -7.248 1.00 0.00 H ATOM 522 HB2 ALA B 14 3.095 -0.932 -5.600 1.00 0.00 H ATOM 523 HB3 ALA B 14 4.231 -1.043 -6.943 1.00 0.00 H ATOM 524 N LEU B 15 0.991 -3.289 -5.460 1.00 0.00 N ATOM 525 CA LEU B 15 0.312 -3.805 -4.263 1.00 0.00 C ATOM 526 C LEU B 15 0.101 -5.307 -4.438 1.00 0.00 C ATOM 527 O LEU B 15 -0.012 -6.045 -3.479 1.00 0.00 O ATOM 528 CB LEU B 15 -0.977 -3.000 -4.252 1.00 0.00 C ATOM 529 CG LEU B 15 -2.154 -3.822 -3.726 1.00 0.00 C ATOM 530 CD1 LEU B 15 -1.782 -4.471 -2.396 1.00 0.00 C ATOM 531 CD2 LEU B 15 -3.356 -2.902 -3.514 1.00 0.00 C ATOM 532 H LEU B 15 0.452 -2.973 -6.223 1.00 0.00 H ATOM 533 HA LEU B 15 0.895 -3.603 -3.379 1.00 0.00 H ATOM 534 HB2 LEU B 15 -0.838 -2.123 -3.657 1.00 0.00 H ATOM 535 HB3 LEU B 15 -1.183 -2.692 -5.246 1.00 0.00 H ATOM 536 HG LEU B 15 -2.408 -4.584 -4.450 1.00 0.00 H ATOM 537 HD11 LEU B 15 -0.719 -4.376 -2.234 1.00 0.00 H ATOM 538 HD12 LEU B 15 -2.314 -3.977 -1.595 1.00 0.00 H ATOM 539 HD13 LEU B 15 -2.053 -5.516 -2.418 1.00 0.00 H ATOM 540 HD21 LEU B 15 -3.013 -1.924 -3.214 1.00 0.00 H ATOM 541 HD22 LEU B 15 -3.913 -2.821 -4.435 1.00 0.00 H ATOM 542 HD23 LEU B 15 -3.992 -3.314 -2.744 1.00 0.00 H ATOM 543 N TYR B 16 0.112 -5.774 -5.660 1.00 0.00 N ATOM 544 CA TYR B 16 -0.018 -7.235 -5.887 1.00 0.00 C ATOM 545 C TYR B 16 1.371 -7.842 -5.760 1.00 0.00 C ATOM 546 O TYR B 16 1.557 -8.918 -5.226 1.00 0.00 O ATOM 547 CB TYR B 16 -0.540 -7.397 -7.331 1.00 0.00 C ATOM 548 CG TYR B 16 0.446 -8.201 -8.175 1.00 0.00 C ATOM 549 CD1 TYR B 16 0.674 -9.556 -7.883 1.00 0.00 C ATOM 550 CD2 TYR B 16 1.133 -7.593 -9.238 1.00 0.00 C ATOM 551 CE1 TYR B 16 1.582 -10.297 -8.652 1.00 0.00 C ATOM 552 CE2 TYR B 16 2.040 -8.337 -10.005 1.00 0.00 C ATOM 553 CZ TYR B 16 2.263 -9.688 -9.713 1.00 0.00 C ATOM 554 OH TYR B 16 3.157 -10.420 -10.467 1.00 0.00 O ATOM 555 H TYR B 16 0.250 -5.167 -6.424 1.00 0.00 H ATOM 556 HA TYR B 16 -0.703 -7.678 -5.182 1.00 0.00 H ATOM 557 HB2 TYR B 16 -1.488 -7.907 -7.315 1.00 0.00 H ATOM 558 HB3 TYR B 16 -0.671 -6.425 -7.767 1.00 0.00 H ATOM 559 HD1 TYR B 16 0.157 -10.030 -7.063 1.00 0.00 H ATOM 560 HD2 TYR B 16 0.971 -6.553 -9.460 1.00 0.00 H ATOM 561 HE1 TYR B 16 1.756 -11.339 -8.426 1.00 0.00 H ATOM 562 HE2 TYR B 16 2.566 -7.868 -10.822 1.00 0.00 H ATOM 563 HH TYR B 16 3.374 -11.218 -9.979 1.00 0.00 H ATOM 564 N LEU B 17 2.346 -7.161 -6.296 1.00 0.00 N ATOM 565 CA LEU B 17 3.715 -7.709 -6.254 1.00 0.00 C ATOM 566 C LEU B 17 4.194 -7.676 -4.828 1.00 0.00 C ATOM 567 O LEU B 17 5.040 -8.444 -4.417 1.00 0.00 O ATOM 568 CB LEU B 17 4.584 -6.724 -7.025 1.00 0.00 C ATOM 569 CG LEU B 17 5.437 -7.436 -8.092 1.00 0.00 C ATOM 570 CD1 LEU B 17 5.770 -8.869 -7.663 1.00 0.00 C ATOM 571 CD2 LEU B 17 4.659 -7.475 -9.409 1.00 0.00 C ATOM 572 H LEU B 17 2.167 -6.309 -6.748 1.00 0.00 H ATOM 573 HA LEU B 17 3.750 -8.693 -6.683 1.00 0.00 H ATOM 574 HB2 LEU B 17 3.970 -5.977 -7.452 1.00 0.00 H ATOM 575 HB3 LEU B 17 5.257 -6.244 -6.327 1.00 0.00 H ATOM 576 HG LEU B 17 6.356 -6.887 -8.238 1.00 0.00 H ATOM 577 HD11 LEU B 17 5.690 -8.950 -6.589 1.00 0.00 H ATOM 578 HD12 LEU B 17 5.070 -9.551 -8.126 1.00 0.00 H ATOM 579 HD13 LEU B 17 6.773 -9.115 -7.973 1.00 0.00 H ATOM 580 HD21 LEU B 17 3.789 -6.839 -9.331 1.00 0.00 H ATOM 581 HD22 LEU B 17 5.291 -7.124 -10.211 1.00 0.00 H ATOM 582 HD23 LEU B 17 4.347 -8.489 -9.614 1.00 0.00 H ATOM 583 N VAL B 18 3.704 -6.729 -4.081 1.00 0.00 N ATOM 584 CA VAL B 18 4.194 -6.601 -2.709 1.00 0.00 C ATOM 585 C VAL B 18 3.405 -7.502 -1.753 1.00 0.00 C ATOM 586 O VAL B 18 3.854 -7.825 -0.671 1.00 0.00 O ATOM 587 CB VAL B 18 4.015 -5.124 -2.347 1.00 0.00 C ATOM 588 CG1 VAL B 18 2.582 -4.871 -1.868 1.00 0.00 C ATOM 589 CG2 VAL B 18 4.997 -4.754 -1.233 1.00 0.00 C ATOM 590 H VAL B 18 3.055 -6.084 -4.440 1.00 0.00 H ATOM 591 HA VAL B 18 5.234 -6.848 -2.719 1.00 0.00 H ATOM 592 HB VAL B 18 4.214 -4.517 -3.216 1.00 0.00 H ATOM 593 HG11 VAL B 18 1.921 -5.604 -2.305 1.00 0.00 H ATOM 594 HG12 VAL B 18 2.544 -4.948 -0.791 1.00 0.00 H ATOM 595 HG13 VAL B 18 2.271 -3.882 -2.168 1.00 0.00 H ATOM 596 HG21 VAL B 18 5.111 -5.591 -0.560 1.00 0.00 H ATOM 597 HG22 VAL B 18 5.955 -4.507 -1.666 1.00 0.00 H ATOM 598 HG23 VAL B 18 4.618 -3.902 -0.688 1.00 0.00 H ATOM 599 N CYS B 19 2.222 -7.890 -2.141 1.00 0.00 N ATOM 600 CA CYS B 19 1.382 -8.748 -1.258 1.00 0.00 C ATOM 601 C CYS B 19 0.496 -9.666 -2.110 1.00 0.00 C ATOM 602 O CYS B 19 -0.713 -9.642 -1.993 1.00 0.00 O ATOM 603 CB CYS B 19 0.513 -7.760 -0.485 1.00 0.00 C ATOM 604 SG CYS B 19 1.197 -7.514 1.172 1.00 0.00 S ATOM 605 H CYS B 19 1.874 -7.602 -3.015 1.00 0.00 H ATOM 606 HA CYS B 19 1.994 -9.314 -0.566 1.00 0.00 H ATOM 607 HB2 CYS B 19 0.488 -6.815 -1.007 1.00 0.00 H ATOM 608 HB3 CYS B 19 -0.488 -8.151 -0.406 1.00 0.00 H ATOM 609 N GLY B 20 1.068 -10.466 -2.976 1.00 0.00 N ATOM 610 CA GLY B 20 0.238 -11.345 -3.815 1.00 0.00 C ATOM 611 C GLY B 20 -0.004 -12.662 -3.088 1.00 0.00 C ATOM 612 O GLY B 20 0.567 -12.933 -2.050 1.00 0.00 O ATOM 613 H GLY B 20 2.035 -10.486 -3.081 1.00 0.00 H ATOM 614 HA2 GLY B 20 -0.707 -10.862 -4.018 1.00 0.00 H ATOM 615 HA3 GLY B 20 0.752 -11.535 -4.742 1.00 0.00 H ATOM 616 N GLU B 21 -0.856 -13.474 -3.631 1.00 0.00 N ATOM 617 CA GLU B 21 -1.175 -14.788 -2.996 1.00 0.00 C ATOM 618 C GLU B 21 -1.990 -14.581 -1.715 1.00 0.00 C ATOM 619 O GLU B 21 -2.332 -15.522 -1.027 1.00 0.00 O ATOM 620 CB GLU B 21 0.178 -15.425 -2.672 1.00 0.00 C ATOM 621 CG GLU B 21 0.002 -16.937 -2.516 1.00 0.00 C ATOM 622 CD GLU B 21 1.350 -17.632 -2.715 1.00 0.00 C ATOM 623 OE1 GLU B 21 2.331 -17.148 -2.173 1.00 0.00 O ATOM 624 OE2 GLU B 21 1.379 -18.636 -3.408 1.00 0.00 O ATOM 625 H GLU B 21 -1.295 -13.213 -4.462 1.00 0.00 H ATOM 626 HA GLU B 21 -1.718 -15.414 -3.686 1.00 0.00 H ATOM 627 HB2 GLU B 21 0.872 -15.222 -3.475 1.00 0.00 H ATOM 628 HB3 GLU B 21 0.560 -15.011 -1.751 1.00 0.00 H ATOM 629 HG2 GLU B 21 -0.373 -17.153 -1.526 1.00 0.00 H ATOM 630 HG3 GLU B 21 -0.699 -17.295 -3.254 1.00 0.00 H ATOM 631 N ARG B 22 -2.303 -13.356 -1.389 1.00 0.00 N ATOM 632 CA ARG B 22 -3.095 -13.091 -0.154 1.00 0.00 C ATOM 633 C ARG B 22 -4.234 -12.110 -0.452 1.00 0.00 C ATOM 634 O ARG B 22 -5.033 -11.793 0.406 1.00 0.00 O ATOM 635 CB ARG B 22 -2.100 -12.471 0.828 1.00 0.00 C ATOM 636 CG ARG B 22 -1.170 -13.560 1.369 1.00 0.00 C ATOM 637 CD ARG B 22 -1.948 -14.466 2.326 1.00 0.00 C ATOM 638 NE ARG B 22 -0.947 -15.451 2.820 1.00 0.00 N ATOM 639 CZ ARG B 22 -1.331 -16.641 3.193 1.00 0.00 C ATOM 640 NH1 ARG B 22 -1.875 -17.453 2.328 1.00 0.00 N ATOM 641 NH2 ARG B 22 -1.169 -17.020 4.431 1.00 0.00 N ATOM 642 H ARG B 22 -2.018 -12.611 -1.955 1.00 0.00 H ATOM 643 HA ARG B 22 -3.485 -14.011 0.250 1.00 0.00 H ATOM 644 HB2 ARG B 22 -1.515 -11.719 0.318 1.00 0.00 H ATOM 645 HB3 ARG B 22 -2.636 -12.019 1.647 1.00 0.00 H ATOM 646 HG2 ARG B 22 -0.786 -14.147 0.549 1.00 0.00 H ATOM 647 HG3 ARG B 22 -0.350 -13.100 1.899 1.00 0.00 H ATOM 648 HD2 ARG B 22 -2.348 -13.888 3.149 1.00 0.00 H ATOM 649 HD3 ARG B 22 -2.741 -14.976 1.802 1.00 0.00 H ATOM 650 HE ARG B 22 0.000 -15.207 2.866 1.00 0.00 H ATOM 651 HH11 ARG B 22 -1.997 -17.163 1.380 1.00 0.00 H ATOM 652 HH12 ARG B 22 -2.169 -18.365 2.614 1.00 0.00 H ATOM 653 HH21 ARG B 22 -0.751 -16.397 5.093 1.00 0.00 H ATOM 654 HH22 ARG B 22 -1.462 -17.931 4.718 1.00 0.00 H ATOM 655 N GLY B 23 -4.314 -11.628 -1.664 1.00 0.00 N ATOM 656 CA GLY B 23 -5.400 -10.670 -2.020 1.00 0.00 C ATOM 657 C GLY B 23 -5.393 -9.494 -1.042 1.00 0.00 C ATOM 658 O GLY B 23 -4.738 -9.524 -0.019 1.00 0.00 O ATOM 659 H GLY B 23 -3.661 -11.897 -2.343 1.00 0.00 H ATOM 660 HA2 GLY B 23 -5.240 -10.304 -3.024 1.00 0.00 H ATOM 661 HA3 GLY B 23 -6.354 -11.169 -1.967 1.00 0.00 H ATOM 662 N PHE B 24 -6.125 -8.461 -1.350 1.00 0.00 N ATOM 663 CA PHE B 24 -6.176 -7.279 -0.442 1.00 0.00 C ATOM 664 C PHE B 24 -7.504 -6.543 -0.631 1.00 0.00 C ATOM 665 O PHE B 24 -8.480 -7.115 -1.072 1.00 0.00 O ATOM 666 CB PHE B 24 -4.997 -6.396 -0.863 1.00 0.00 C ATOM 667 CG PHE B 24 -5.024 -6.192 -2.359 1.00 0.00 C ATOM 668 CD1 PHE B 24 -6.013 -5.386 -2.939 1.00 0.00 C ATOM 669 CD2 PHE B 24 -4.062 -6.813 -3.168 1.00 0.00 C ATOM 670 CE1 PHE B 24 -6.039 -5.200 -4.329 1.00 0.00 C ATOM 671 CE2 PHE B 24 -4.090 -6.627 -4.556 1.00 0.00 C ATOM 672 CZ PHE B 24 -5.078 -5.821 -5.136 1.00 0.00 C ATOM 673 H PHE B 24 -6.647 -8.464 -2.179 1.00 0.00 H ATOM 674 HA PHE B 24 -6.058 -7.588 0.584 1.00 0.00 H ATOM 675 HB2 PHE B 24 -5.069 -5.439 -0.369 1.00 0.00 H ATOM 676 HB3 PHE B 24 -4.072 -6.874 -0.583 1.00 0.00 H ATOM 677 HD1 PHE B 24 -6.753 -4.907 -2.316 1.00 0.00 H ATOM 678 HD2 PHE B 24 -3.300 -7.433 -2.721 1.00 0.00 H ATOM 679 HE1 PHE B 24 -6.800 -4.578 -4.776 1.00 0.00 H ATOM 680 HE2 PHE B 24 -3.349 -7.103 -5.179 1.00 0.00 H ATOM 681 HZ PHE B 24 -5.099 -5.680 -6.206 1.00 0.00 H ATOM 682 N PHE B 25 -7.556 -5.283 -0.302 1.00 0.00 N ATOM 683 CA PHE B 25 -8.831 -4.529 -0.469 1.00 0.00 C ATOM 684 C PHE B 25 -8.558 -3.129 -1.023 1.00 0.00 C ATOM 685 O PHE B 25 -8.545 -2.158 -0.294 1.00 0.00 O ATOM 686 CB PHE B 25 -9.425 -4.441 0.937 1.00 0.00 C ATOM 687 CG PHE B 25 -10.784 -3.786 0.869 1.00 0.00 C ATOM 688 CD1 PHE B 25 -11.836 -4.421 0.195 1.00 0.00 C ATOM 689 CD2 PHE B 25 -10.992 -2.540 1.477 1.00 0.00 C ATOM 690 CE1 PHE B 25 -13.097 -3.811 0.131 1.00 0.00 C ATOM 691 CE2 PHE B 25 -12.253 -1.931 1.412 1.00 0.00 C ATOM 692 CZ PHE B 25 -13.305 -2.566 0.739 1.00 0.00 C ATOM 693 H PHE B 25 -6.760 -4.833 0.053 1.00 0.00 H ATOM 694 HA PHE B 25 -9.502 -5.068 -1.118 1.00 0.00 H ATOM 695 HB2 PHE B 25 -9.523 -5.435 1.349 1.00 0.00 H ATOM 696 HB3 PHE B 25 -8.774 -3.853 1.566 1.00 0.00 H ATOM 697 HD1 PHE B 25 -11.675 -5.380 -0.273 1.00 0.00 H ATOM 698 HD2 PHE B 25 -10.183 -2.051 1.997 1.00 0.00 H ATOM 699 HE1 PHE B 25 -13.907 -4.302 -0.389 1.00 0.00 H ATOM 700 HE2 PHE B 25 -12.415 -0.971 1.882 1.00 0.00 H ATOM 701 HZ PHE B 25 -14.275 -2.096 0.687 1.00 0.00 H ATOM 702 N TYR B 26 -8.347 -3.014 -2.308 1.00 0.00 N ATOM 703 CA TYR B 26 -8.085 -1.668 -2.895 1.00 0.00 C ATOM 704 C TYR B 26 -8.836 -1.495 -4.226 1.00 0.00 C ATOM 705 O TYR B 26 -8.359 -1.883 -5.274 1.00 0.00 O ATOM 706 CB TYR B 26 -6.573 -1.604 -3.131 1.00 0.00 C ATOM 707 CG TYR B 26 -6.307 -0.500 -4.120 1.00 0.00 C ATOM 708 CD1 TYR B 26 -6.915 0.744 -3.927 1.00 0.00 C ATOM 709 CD2 TYR B 26 -5.502 -0.723 -5.242 1.00 0.00 C ATOM 710 CE1 TYR B 26 -6.718 1.773 -4.851 1.00 0.00 C ATOM 711 CE2 TYR B 26 -5.307 0.306 -6.173 1.00 0.00 C ATOM 712 CZ TYR B 26 -5.914 1.556 -5.978 1.00 0.00 C ATOM 713 OH TYR B 26 -5.719 2.569 -6.895 1.00 0.00 O ATOM 714 H TYR B 26 -8.367 -3.807 -2.884 1.00 0.00 H ATOM 715 HA TYR B 26 -8.378 -0.895 -2.201 1.00 0.00 H ATOM 716 HB2 TYR B 26 -6.066 -1.395 -2.201 1.00 0.00 H ATOM 717 HB3 TYR B 26 -6.225 -2.544 -3.535 1.00 0.00 H ATOM 718 HD1 TYR B 26 -7.532 0.910 -3.058 1.00 0.00 H ATOM 719 HD2 TYR B 26 -5.031 -1.685 -5.389 1.00 0.00 H ATOM 720 HE1 TYR B 26 -7.195 2.730 -4.698 1.00 0.00 H ATOM 721 HE2 TYR B 26 -4.693 0.133 -7.040 1.00 0.00 H ATOM 722 HH TYR B 26 -5.256 3.285 -6.453 1.00 0.00 H ATOM 723 N THR B 27 -10.007 -0.928 -4.189 1.00 0.00 N ATOM 724 CA THR B 27 -10.790 -0.744 -5.452 1.00 0.00 C ATOM 725 C THR B 27 -11.178 0.731 -5.766 1.00 0.00 C ATOM 726 O THR B 27 -11.643 0.992 -6.858 1.00 0.00 O ATOM 727 CB THR B 27 -12.057 -1.551 -5.210 1.00 0.00 C ATOM 728 OG1 THR B 27 -13.010 -1.257 -6.222 1.00 0.00 O ATOM 729 CG2 THR B 27 -12.617 -1.172 -3.844 1.00 0.00 C ATOM 730 H THR B 27 -10.381 -0.649 -3.332 1.00 0.00 H ATOM 731 HA THR B 27 -10.255 -1.170 -6.283 1.00 0.00 H ATOM 732 HB THR B 27 -11.825 -2.604 -5.221 1.00 0.00 H ATOM 733 HG1 THR B 27 -13.580 -0.557 -5.896 1.00 0.00 H ATOM 734 HG21 THR B 27 -12.586 -0.098 -3.730 1.00 0.00 H ATOM 735 HG22 THR B 27 -13.635 -1.515 -3.763 1.00 0.00 H ATOM 736 HG23 THR B 27 -12.017 -1.632 -3.071 1.00 0.00 H ATOM 737 N PRO B 28 -11.026 1.657 -4.832 1.00 0.00 N ATOM 738 CA PRO B 28 -11.434 3.064 -5.111 1.00 0.00 C ATOM 739 C PRO B 28 -10.481 3.759 -6.082 1.00 0.00 C ATOM 740 O PRO B 28 -9.330 3.396 -6.224 1.00 0.00 O ATOM 741 CB PRO B 28 -11.376 3.738 -3.745 1.00 0.00 C ATOM 742 CG PRO B 28 -10.404 2.931 -2.963 1.00 0.00 C ATOM 743 CD PRO B 28 -10.485 1.520 -3.475 1.00 0.00 C ATOM 744 HA PRO B 28 -12.441 3.096 -5.488 1.00 0.00 H ATOM 745 HB2 PRO B 28 -11.029 4.758 -3.835 1.00 0.00 H ATOM 746 HB3 PRO B 28 -12.344 3.707 -3.270 1.00 0.00 H ATOM 747 HG2 PRO B 28 -9.405 3.322 -3.102 1.00 0.00 H ATOM 748 HG3 PRO B 28 -10.668 2.957 -1.924 1.00 0.00 H ATOM 749 HD2 PRO B 28 -9.501 1.072 -3.498 1.00 0.00 H ATOM 750 HD3 PRO B 28 -11.157 0.938 -2.865 1.00 0.00 H ATOM 751 N LYS B 29 -10.968 4.777 -6.736 1.00 0.00 N ATOM 752 CA LYS B 29 -10.123 5.547 -7.692 1.00 0.00 C ATOM 753 C LYS B 29 -10.255 7.040 -7.399 1.00 0.00 C ATOM 754 O LYS B 29 -11.310 7.626 -7.551 1.00 0.00 O ATOM 755 CB LYS B 29 -10.681 5.227 -9.074 1.00 0.00 C ATOM 756 CG LYS B 29 -9.838 4.131 -9.726 1.00 0.00 C ATOM 757 CD LYS B 29 -9.474 4.552 -11.152 1.00 0.00 C ATOM 758 CE LYS B 29 -7.955 4.495 -11.328 1.00 0.00 C ATOM 759 NZ LYS B 29 -7.659 3.071 -11.648 1.00 0.00 N ATOM 760 H LYS B 29 -11.897 5.048 -6.581 1.00 0.00 H ATOM 761 HA LYS B 29 -9.092 5.235 -7.625 1.00 0.00 H ATOM 762 HB2 LYS B 29 -11.698 4.893 -8.973 1.00 0.00 H ATOM 763 HB3 LYS B 29 -10.653 6.115 -9.687 1.00 0.00 H ATOM 764 HG2 LYS B 29 -8.935 3.982 -9.152 1.00 0.00 H ATOM 765 HG3 LYS B 29 -10.404 3.213 -9.757 1.00 0.00 H ATOM 766 HD2 LYS B 29 -9.945 3.880 -11.855 1.00 0.00 H ATOM 767 HD3 LYS B 29 -9.817 5.559 -11.330 1.00 0.00 H ATOM 768 HE2 LYS B 29 -7.648 5.138 -12.141 1.00 0.00 H ATOM 769 HE3 LYS B 29 -7.458 4.778 -10.414 1.00 0.00 H ATOM 770 HZ1 LYS B 29 -8.139 2.454 -10.963 1.00 0.00 H ATOM 771 HZ2 LYS B 29 -7.999 2.854 -12.605 1.00 0.00 H ATOM 772 HZ3 LYS B 29 -6.631 2.911 -11.600 1.00 0.00 H ATOM 773 N THR B 30 -9.195 7.652 -6.973 1.00 0.00 N ATOM 774 CA THR B 30 -9.243 9.109 -6.656 1.00 0.00 C ATOM 775 C THR B 30 -7.823 9.664 -6.515 1.00 0.00 C ATOM 776 O THR B 30 -7.512 10.173 -5.450 1.00 0.00 O ATOM 777 CB THR B 30 -9.986 9.194 -5.320 1.00 0.00 C ATOM 778 OG1 THR B 30 -11.319 8.733 -5.490 1.00 0.00 O ATOM 779 CG2 THR B 30 -10.003 10.644 -4.834 1.00 0.00 C ATOM 780 OXT THR B 30 -7.073 9.569 -7.471 1.00 0.00 O ATOM 781 H THR B 30 -8.366 7.152 -6.859 1.00 0.00 H ATOM 782 HA THR B 30 -9.787 9.645 -7.416 1.00 0.00 H ATOM 783 HB THR B 30 -9.483 8.579 -4.589 1.00 0.00 H ATOM 784 HG1 THR B 30 -11.843 9.063 -4.756 1.00 0.00 H ATOM 785 HG21 THR B 30 -9.461 11.264 -5.532 1.00 0.00 H ATOM 786 HG22 THR B 30 -11.025 10.988 -4.764 1.00 0.00 H ATOM 787 HG23 THR B 30 -9.537 10.704 -3.861 1.00 0.00 H TER 788 THR B 30 ENDMDL MODEL 6 ATOM 1 N GLY A 1 -5.429 7.174 2.087 1.00 0.00 N ATOM 2 CA GLY A 1 -5.904 6.325 0.958 1.00 0.00 C ATOM 3 C GLY A 1 -4.728 5.983 0.043 1.00 0.00 C ATOM 4 O GLY A 1 -4.103 6.851 -0.532 1.00 0.00 O ATOM 5 H1 GLY A 1 -4.389 7.212 2.078 1.00 0.00 H ATOM 6 H2 GLY A 1 -5.813 8.134 1.985 1.00 0.00 H ATOM 7 H3 GLY A 1 -5.754 6.766 2.987 1.00 0.00 H ATOM 8 HA2 GLY A 1 -6.334 5.414 1.349 1.00 0.00 H ATOM 9 HA3 GLY A 1 -6.651 6.862 0.393 1.00 0.00 H ATOM 10 N ILE A 2 -4.420 4.721 -0.099 1.00 0.00 N ATOM 11 CA ILE A 2 -3.281 4.322 -0.978 1.00 0.00 C ATOM 12 C ILE A 2 -3.316 5.092 -2.308 1.00 0.00 C ATOM 13 O ILE A 2 -2.312 5.229 -2.979 1.00 0.00 O ATOM 14 CB ILE A 2 -3.470 2.821 -1.218 1.00 0.00 C ATOM 15 CG1 ILE A 2 -2.477 2.348 -2.278 1.00 0.00 C ATOM 16 CG2 ILE A 2 -4.900 2.557 -1.691 1.00 0.00 C ATOM 17 CD1 ILE A 2 -2.874 0.956 -2.775 1.00 0.00 C ATOM 18 H ILE A 2 -4.936 4.035 0.378 1.00 0.00 H ATOM 19 HA ILE A 2 -2.347 4.496 -0.475 1.00 0.00 H ATOM 20 HB ILE A 2 -3.293 2.284 -0.304 1.00 0.00 H ATOM 21 HG12 ILE A 2 -2.481 3.041 -3.099 1.00 0.00 H ATOM 22 HG13 ILE A 2 -1.487 2.306 -1.848 1.00 0.00 H ATOM 23 HG21 ILE A 2 -5.455 3.483 -1.692 1.00 0.00 H ATOM 24 HG22 ILE A 2 -4.880 2.148 -2.689 1.00 0.00 H ATOM 25 HG23 ILE A 2 -5.374 1.854 -1.022 1.00 0.00 H ATOM 26 HD11 ILE A 2 -3.624 0.541 -2.118 1.00 0.00 H ATOM 27 HD12 ILE A 2 -3.274 1.032 -3.776 1.00 0.00 H ATOM 28 HD13 ILE A 2 -2.006 0.314 -2.781 1.00 0.00 H ATOM 29 N VAL A 3 -4.458 5.593 -2.697 1.00 0.00 N ATOM 30 CA VAL A 3 -4.548 6.349 -3.982 1.00 0.00 C ATOM 31 C VAL A 3 -3.923 7.738 -3.839 1.00 0.00 C ATOM 32 O VAL A 3 -3.698 8.430 -4.813 1.00 0.00 O ATOM 33 CB VAL A 3 -6.045 6.458 -4.274 1.00 0.00 C ATOM 34 CG1 VAL A 3 -6.594 5.073 -4.618 1.00 0.00 C ATOM 35 CG2 VAL A 3 -6.771 7.003 -3.042 1.00 0.00 C ATOM 36 H VAL A 3 -5.255 5.472 -2.147 1.00 0.00 H ATOM 37 HA VAL A 3 -4.064 5.806 -4.774 1.00 0.00 H ATOM 38 HB VAL A 3 -6.201 7.123 -5.111 1.00 0.00 H ATOM 39 HG11 VAL A 3 -6.244 4.355 -3.891 1.00 0.00 H ATOM 40 HG12 VAL A 3 -7.673 5.099 -4.606 1.00 0.00 H ATOM 41 HG13 VAL A 3 -6.252 4.784 -5.602 1.00 0.00 H ATOM 42 HG21 VAL A 3 -6.079 7.570 -2.437 1.00 0.00 H ATOM 43 HG22 VAL A 3 -7.583 7.644 -3.356 1.00 0.00 H ATOM 44 HG23 VAL A 3 -7.166 6.181 -2.463 1.00 0.00 H ATOM 45 N GLU A 4 -3.647 8.158 -2.637 1.00 0.00 N ATOM 46 CA GLU A 4 -3.044 9.509 -2.444 1.00 0.00 C ATOM 47 C GLU A 4 -1.561 9.393 -2.077 1.00 0.00 C ATOM 48 O GLU A 4 -0.847 10.375 -2.054 1.00 0.00 O ATOM 49 CB GLU A 4 -3.828 10.142 -1.292 1.00 0.00 C ATOM 50 CG GLU A 4 -5.308 9.776 -1.411 1.00 0.00 C ATOM 51 CD GLU A 4 -6.163 11.026 -1.191 1.00 0.00 C ATOM 52 OE1 GLU A 4 -6.175 11.874 -2.069 1.00 0.00 O ATOM 53 OE2 GLU A 4 -6.791 11.115 -0.148 1.00 0.00 O ATOM 54 H GLU A 4 -3.840 7.590 -1.862 1.00 0.00 H ATOM 55 HA GLU A 4 -3.162 10.103 -3.336 1.00 0.00 H ATOM 56 HB2 GLU A 4 -3.442 9.776 -0.351 1.00 0.00 H ATOM 57 HB3 GLU A 4 -3.721 11.215 -1.332 1.00 0.00 H ATOM 58 HG2 GLU A 4 -5.499 9.375 -2.396 1.00 0.00 H ATOM 59 HG3 GLU A 4 -5.555 9.035 -0.667 1.00 0.00 H ATOM 60 N GLN A 5 -1.091 8.212 -1.773 1.00 0.00 N ATOM 61 CA GLN A 5 0.348 8.081 -1.393 1.00 0.00 C ATOM 62 C GLN A 5 1.203 7.613 -2.585 1.00 0.00 C ATOM 63 O GLN A 5 2.312 8.076 -2.761 1.00 0.00 O ATOM 64 CB GLN A 5 0.384 7.071 -0.235 1.00 0.00 C ATOM 65 CG GLN A 5 1.378 7.552 0.824 1.00 0.00 C ATOM 66 CD GLN A 5 0.827 8.804 1.509 1.00 0.00 C ATOM 67 OE1 GLN A 5 -0.132 9.391 1.048 1.00 0.00 O ATOM 68 NE2 GLN A 5 1.397 9.243 2.598 1.00 0.00 N ATOM 69 H GLN A 5 -1.680 7.428 -1.780 1.00 0.00 H ATOM 70 HA GLN A 5 0.714 9.035 -1.045 1.00 0.00 H ATOM 71 HB2 GLN A 5 -0.600 6.991 0.203 1.00 0.00 H ATOM 72 HB3 GLN A 5 0.696 6.103 -0.596 1.00 0.00 H ATOM 73 HG2 GLN A 5 1.526 6.773 1.559 1.00 0.00 H ATOM 74 HG3 GLN A 5 2.320 7.786 0.355 1.00 0.00 H ATOM 75 HE21 GLN A 5 2.171 8.771 2.970 1.00 0.00 H ATOM 76 HE22 GLN A 5 1.051 10.045 3.044 1.00 0.00 H ATOM 77 N CYS A 6 0.720 6.717 -3.415 1.00 0.00 N ATOM 78 CA CYS A 6 1.564 6.284 -4.571 1.00 0.00 C ATOM 79 C CYS A 6 1.222 7.084 -5.834 1.00 0.00 C ATOM 80 O CYS A 6 2.041 7.235 -6.688 1.00 0.00 O ATOM 81 CB CYS A 6 1.351 4.766 -4.777 1.00 0.00 C ATOM 82 SG CYS A 6 0.989 3.955 -3.210 1.00 0.00 S ATOM 83 H CYS A 6 -0.171 6.339 -3.284 1.00 0.00 H ATOM 84 HA CYS A 6 2.603 6.460 -4.337 1.00 0.00 H ATOM 85 HB2 CYS A 6 0.559 4.577 -5.480 1.00 0.00 H ATOM 86 HB3 CYS A 6 2.265 4.343 -5.170 1.00 0.00 H ATOM 87 N CYS A 7 0.062 7.634 -5.978 1.00 0.00 N ATOM 88 CA CYS A 7 -0.167 8.429 -7.225 1.00 0.00 C ATOM 89 C CYS A 7 0.310 9.852 -6.986 1.00 0.00 C ATOM 90 O CYS A 7 1.033 10.429 -7.774 1.00 0.00 O ATOM 91 CB CYS A 7 -1.667 8.431 -7.466 1.00 0.00 C ATOM 92 SG CYS A 7 -2.011 9.193 -9.079 1.00 0.00 S ATOM 93 H CYS A 7 -0.628 7.559 -5.286 1.00 0.00 H ATOM 94 HA CYS A 7 0.354 7.987 -8.061 1.00 0.00 H ATOM 95 HB2 CYS A 7 -2.043 7.433 -7.436 1.00 0.00 H ATOM 96 HB3 CYS A 7 -2.137 9.002 -6.699 1.00 0.00 H ATOM 97 N THR A 8 -0.105 10.414 -5.895 1.00 0.00 N ATOM 98 CA THR A 8 0.293 11.806 -5.559 1.00 0.00 C ATOM 99 C THR A 8 1.558 11.812 -4.690 1.00 0.00 C ATOM 100 O THR A 8 1.785 12.729 -3.928 1.00 0.00 O ATOM 101 CB THR A 8 -0.896 12.358 -4.773 1.00 0.00 C ATOM 102 OG1 THR A 8 -2.014 12.488 -5.640 1.00 0.00 O ATOM 103 CG2 THR A 8 -0.544 13.727 -4.186 1.00 0.00 C ATOM 104 H THR A 8 -0.695 9.913 -5.290 1.00 0.00 H ATOM 105 HA THR A 8 0.445 12.386 -6.456 1.00 0.00 H ATOM 106 HB THR A 8 -1.139 11.676 -3.968 1.00 0.00 H ATOM 107 HG1 THR A 8 -2.224 11.619 -5.987 1.00 0.00 H ATOM 108 HG21 THR A 8 0.111 14.252 -4.867 1.00 0.00 H ATOM 109 HG22 THR A 8 -1.448 14.301 -4.041 1.00 0.00 H ATOM 110 HG23 THR A 8 -0.046 13.595 -3.237 1.00 0.00 H ATOM 111 N SER A 9 2.390 10.804 -4.791 1.00 0.00 N ATOM 112 CA SER A 9 3.630 10.791 -3.952 1.00 0.00 C ATOM 113 C SER A 9 4.326 9.427 -4.004 1.00 0.00 C ATOM 114 O SER A 9 3.951 8.549 -4.757 1.00 0.00 O ATOM 115 CB SER A 9 3.155 11.084 -2.526 1.00 0.00 C ATOM 116 OG SER A 9 4.093 10.558 -1.597 1.00 0.00 O ATOM 117 H SER A 9 2.205 10.065 -5.415 1.00 0.00 H ATOM 118 HA SER A 9 4.307 11.565 -4.275 1.00 0.00 H ATOM 119 HB2 SER A 9 3.075 12.149 -2.382 1.00 0.00 H ATOM 120 HB3 SER A 9 2.185 10.630 -2.370 1.00 0.00 H ATOM 121 HG SER A 9 4.497 11.296 -1.132 1.00 0.00 H ATOM 122 N ILE A 10 5.348 9.258 -3.208 1.00 0.00 N ATOM 123 CA ILE A 10 6.099 7.969 -3.193 1.00 0.00 C ATOM 124 C ILE A 10 5.680 7.093 -2.010 1.00 0.00 C ATOM 125 O ILE A 10 5.987 7.387 -0.873 1.00 0.00 O ATOM 126 CB ILE A 10 7.564 8.375 -3.022 1.00 0.00 C ATOM 127 CG1 ILE A 10 7.922 9.456 -4.039 1.00 0.00 C ATOM 128 CG2 ILE A 10 8.464 7.158 -3.242 1.00 0.00 C ATOM 129 CD1 ILE A 10 7.448 9.012 -5.417 1.00 0.00 C ATOM 130 H ILE A 10 5.628 9.988 -2.623 1.00 0.00 H ATOM 131 HA ILE A 10 5.969 7.442 -4.123 1.00 0.00 H ATOM 132 HB ILE A 10 7.715 8.755 -2.023 1.00 0.00 H ATOM 133 HG12 ILE A 10 7.438 10.383 -3.768 1.00 0.00 H ATOM 134 HG13 ILE A 10 8.993 9.596 -4.057 1.00 0.00 H ATOM 135 HG21 ILE A 10 7.951 6.266 -2.911 1.00 0.00 H ATOM 136 HG22 ILE A 10 8.701 7.069 -4.291 1.00 0.00 H ATOM 137 HG23 ILE A 10 9.375 7.279 -2.676 1.00 0.00 H ATOM 138 HD11 ILE A 10 7.607 7.950 -5.524 1.00 0.00 H ATOM 139 HD12 ILE A 10 6.397 9.228 -5.518 1.00 0.00 H ATOM 140 HD13 ILE A 10 8.002 9.540 -6.179 1.00 0.00 H ATOM 141 N CYS A 11 5.020 5.997 -2.266 1.00 0.00 N ATOM 142 CA CYS A 11 4.634 5.091 -1.134 1.00 0.00 C ATOM 143 C CYS A 11 5.498 3.824 -1.219 1.00 0.00 C ATOM 144 O CYS A 11 5.982 3.476 -2.277 1.00 0.00 O ATOM 145 CB CYS A 11 3.130 4.811 -1.299 1.00 0.00 C ATOM 146 SG CYS A 11 2.840 3.532 -2.539 1.00 0.00 S ATOM 147 H CYS A 11 4.807 5.757 -3.192 1.00 0.00 H ATOM 148 HA CYS A 11 4.813 5.591 -0.193 1.00 0.00 H ATOM 149 HB2 CYS A 11 2.714 4.490 -0.361 1.00 0.00 H ATOM 150 HB3 CYS A 11 2.633 5.719 -1.599 1.00 0.00 H ATOM 151 N SER A 12 5.752 3.160 -0.118 1.00 0.00 N ATOM 152 CA SER A 12 6.652 1.962 -0.185 1.00 0.00 C ATOM 153 C SER A 12 5.943 0.639 0.070 1.00 0.00 C ATOM 154 O SER A 12 4.736 0.555 0.185 1.00 0.00 O ATOM 155 CB SER A 12 7.707 2.181 0.892 1.00 0.00 C ATOM 156 OG SER A 12 7.256 3.169 1.809 1.00 0.00 O ATOM 157 H SER A 12 5.393 3.466 0.743 1.00 0.00 H ATOM 158 HA SER A 12 7.139 1.931 -1.145 1.00 0.00 H ATOM 159 HB2 SER A 12 7.868 1.258 1.426 1.00 0.00 H ATOM 160 HB3 SER A 12 8.631 2.484 0.429 1.00 0.00 H ATOM 161 HG SER A 12 7.608 2.952 2.676 1.00 0.00 H ATOM 162 N LEU A 13 6.733 -0.401 0.156 1.00 0.00 N ATOM 163 CA LEU A 13 6.167 -1.770 0.396 1.00 0.00 C ATOM 164 C LEU A 13 5.592 -1.870 1.804 1.00 0.00 C ATOM 165 O LEU A 13 4.634 -2.577 2.043 1.00 0.00 O ATOM 166 CB LEU A 13 7.294 -2.815 0.203 1.00 0.00 C ATOM 167 CG LEU A 13 8.694 -2.209 0.352 1.00 0.00 C ATOM 168 CD1 LEU A 13 8.835 -1.550 1.724 1.00 0.00 C ATOM 169 CD2 LEU A 13 9.737 -3.320 0.222 1.00 0.00 C ATOM 170 H LEU A 13 7.695 -0.261 0.058 1.00 0.00 H ATOM 171 HA LEU A 13 5.386 -1.959 -0.315 1.00 0.00 H ATOM 172 HB2 LEU A 13 7.175 -3.594 0.941 1.00 0.00 H ATOM 173 HB3 LEU A 13 7.200 -3.253 -0.779 1.00 0.00 H ATOM 174 HG LEU A 13 8.858 -1.475 -0.424 1.00 0.00 H ATOM 175 HD11 LEU A 13 8.154 -2.019 2.419 1.00 0.00 H ATOM 176 HD12 LEU A 13 9.848 -1.671 2.079 1.00 0.00 H ATOM 177 HD13 LEU A 13 8.604 -0.497 1.646 1.00 0.00 H ATOM 178 HD21 LEU A 13 9.472 -3.968 -0.600 1.00 0.00 H ATOM 179 HD22 LEU A 13 10.707 -2.883 0.037 1.00 0.00 H ATOM 180 HD23 LEU A 13 9.768 -3.892 1.137 1.00 0.00 H ATOM 181 N TYR A 14 6.152 -1.160 2.736 1.00 0.00 N ATOM 182 CA TYR A 14 5.610 -1.212 4.117 1.00 0.00 C ATOM 183 C TYR A 14 4.363 -0.336 4.183 1.00 0.00 C ATOM 184 O TYR A 14 3.426 -0.616 4.903 1.00 0.00 O ATOM 185 CB TYR A 14 6.715 -0.668 5.019 1.00 0.00 C ATOM 186 CG TYR A 14 6.494 -1.166 6.427 1.00 0.00 C ATOM 187 CD1 TYR A 14 5.397 -0.705 7.166 1.00 0.00 C ATOM 188 CD2 TYR A 14 7.384 -2.088 6.995 1.00 0.00 C ATOM 189 CE1 TYR A 14 5.190 -1.166 8.473 1.00 0.00 C ATOM 190 CE2 TYR A 14 7.177 -2.549 8.302 1.00 0.00 C ATOM 191 CZ TYR A 14 6.079 -2.086 9.041 1.00 0.00 C ATOM 192 OH TYR A 14 5.875 -2.540 10.329 1.00 0.00 O ATOM 193 H TYR A 14 6.908 -0.583 2.524 1.00 0.00 H ATOM 194 HA TYR A 14 5.373 -2.228 4.391 1.00 0.00 H ATOM 195 HB2 TYR A 14 7.674 -1.012 4.660 1.00 0.00 H ATOM 196 HB3 TYR A 14 6.690 0.411 5.010 1.00 0.00 H ATOM 197 HD1 TYR A 14 4.709 0.004 6.728 1.00 0.00 H ATOM 198 HD2 TYR A 14 8.228 -2.446 6.424 1.00 0.00 H ATOM 199 HE1 TYR A 14 4.344 -0.810 9.042 1.00 0.00 H ATOM 200 HE2 TYR A 14 7.863 -3.259 8.741 1.00 0.00 H ATOM 201 HH TYR A 14 4.928 -2.605 10.474 1.00 0.00 H ATOM 202 N GLN A 15 4.333 0.710 3.401 1.00 0.00 N ATOM 203 CA GLN A 15 3.134 1.584 3.388 1.00 0.00 C ATOM 204 C GLN A 15 2.022 0.842 2.646 1.00 0.00 C ATOM 205 O GLN A 15 0.885 0.804 3.075 1.00 0.00 O ATOM 206 CB GLN A 15 3.571 2.854 2.651 1.00 0.00 C ATOM 207 CG GLN A 15 3.600 4.024 3.636 1.00 0.00 C ATOM 208 CD GLN A 15 3.653 5.343 2.864 1.00 0.00 C ATOM 209 OE1 GLN A 15 3.338 5.387 1.692 1.00 0.00 O ATOM 210 NE2 GLN A 15 4.041 6.429 3.476 1.00 0.00 N ATOM 211 H GLN A 15 5.088 0.902 2.805 1.00 0.00 H ATOM 212 HA GLN A 15 2.826 1.820 4.396 1.00 0.00 H ATOM 213 HB2 GLN A 15 4.560 2.708 2.240 1.00 0.00 H ATOM 214 HB3 GLN A 15 2.880 3.074 1.853 1.00 0.00 H ATOM 215 HG2 GLN A 15 2.710 3.999 4.249 1.00 0.00 H ATOM 216 HG3 GLN A 15 4.473 3.943 4.266 1.00 0.00 H ATOM 217 HE21 GLN A 15 4.295 6.395 4.422 1.00 0.00 H ATOM 218 HE22 GLN A 15 4.079 7.278 2.989 1.00 0.00 H ATOM 219 N LEU A 16 2.365 0.201 1.559 1.00 0.00 N ATOM 220 CA LEU A 16 1.355 -0.591 0.812 1.00 0.00 C ATOM 221 C LEU A 16 1.008 -1.823 1.650 1.00 0.00 C ATOM 222 O LEU A 16 -0.043 -2.420 1.518 1.00 0.00 O ATOM 223 CB LEU A 16 2.060 -0.995 -0.485 1.00 0.00 C ATOM 224 CG LEU A 16 1.111 -0.832 -1.672 1.00 0.00 C ATOM 225 CD1 LEU A 16 0.973 0.651 -2.014 1.00 0.00 C ATOM 226 CD2 LEU A 16 1.684 -1.577 -2.879 1.00 0.00 C ATOM 227 H LEU A 16 3.297 0.209 1.257 1.00 0.00 H ATOM 228 HA LEU A 16 0.478 -0.003 0.603 1.00 0.00 H ATOM 229 HB2 LEU A 16 2.923 -0.364 -0.632 1.00 0.00 H ATOM 230 HB3 LEU A 16 2.375 -2.026 -0.419 1.00 0.00 H ATOM 231 HG LEU A 16 0.141 -1.237 -1.420 1.00 0.00 H ATOM 232 HD11 LEU A 16 1.727 1.212 -1.483 1.00 0.00 H ATOM 233 HD12 LEU A 16 1.104 0.788 -3.077 1.00 0.00 H ATOM 234 HD13 LEU A 16 -0.006 0.998 -1.723 1.00 0.00 H ATOM 235 HD21 LEU A 16 2.077 -2.529 -2.561 1.00 0.00 H ATOM 236 HD22 LEU A 16 0.906 -1.734 -3.608 1.00 0.00 H ATOM 237 HD23 LEU A 16 2.476 -0.989 -3.320 1.00 0.00 H ATOM 238 N GLU A 17 1.903 -2.185 2.527 1.00 0.00 N ATOM 239 CA GLU A 17 1.676 -3.357 3.414 1.00 0.00 C ATOM 240 C GLU A 17 0.311 -3.254 4.084 1.00 0.00 C ATOM 241 O GLU A 17 -0.415 -4.224 4.201 1.00 0.00 O ATOM 242 CB GLU A 17 2.775 -3.244 4.464 1.00 0.00 C ATOM 243 CG GLU A 17 3.080 -4.621 5.048 1.00 0.00 C ATOM 244 CD GLU A 17 1.772 -5.325 5.422 1.00 0.00 C ATOM 245 OE1 GLU A 17 1.154 -4.908 6.388 1.00 0.00 O ATOM 246 OE2 GLU A 17 1.412 -6.268 4.737 1.00 0.00 O ATOM 247 H GLU A 17 2.733 -1.670 2.611 1.00 0.00 H ATOM 248 HA GLU A 17 1.773 -4.282 2.869 1.00 0.00 H ATOM 249 HB2 GLU A 17 3.662 -2.838 4.008 1.00 0.00 H ATOM 250 HB3 GLU A 17 2.446 -2.586 5.255 1.00 0.00 H ATOM 251 HG2 GLU A 17 3.612 -5.213 4.316 1.00 0.00 H ATOM 252 HG3 GLU A 17 3.688 -4.506 5.930 1.00 0.00 H ATOM 253 N ASN A 18 -0.039 -2.083 4.534 1.00 0.00 N ATOM 254 CA ASN A 18 -1.355 -1.900 5.219 1.00 0.00 C ATOM 255 C ASN A 18 -2.534 -2.060 4.245 1.00 0.00 C ATOM 256 O ASN A 18 -3.515 -1.350 4.338 1.00 0.00 O ATOM 257 CB ASN A 18 -1.314 -0.471 5.763 1.00 0.00 C ATOM 258 CG ASN A 18 -0.089 -0.298 6.664 1.00 0.00 C ATOM 259 OD1 ASN A 18 1.034 -0.365 6.203 1.00 0.00 O ATOM 260 ND2 ASN A 18 -0.258 -0.077 7.939 1.00 0.00 N ATOM 261 H ASN A 18 0.571 -1.322 4.431 1.00 0.00 H ATOM 262 HA ASN A 18 -1.450 -2.595 6.040 1.00 0.00 H ATOM 263 HB2 ASN A 18 -1.256 0.225 4.939 1.00 0.00 H ATOM 264 HB3 ASN A 18 -2.209 -0.279 6.335 1.00 0.00 H ATOM 265 HD21 ASN A 18 -1.164 -0.021 8.311 1.00 0.00 H ATOM 266 HD22 ASN A 18 0.520 0.035 8.525 1.00 0.00 H ATOM 267 N TYR A 19 -2.467 -2.987 3.324 1.00 0.00 N ATOM 268 CA TYR A 19 -3.605 -3.169 2.383 1.00 0.00 C ATOM 269 C TYR A 19 -3.852 -4.666 2.134 1.00 0.00 C ATOM 270 O TYR A 19 -4.970 -5.082 1.900 1.00 0.00 O ATOM 271 CB TYR A 19 -3.197 -2.428 1.105 1.00 0.00 C ATOM 272 CG TYR A 19 -3.338 -0.941 1.345 1.00 0.00 C ATOM 273 CD1 TYR A 19 -2.290 -0.223 1.941 1.00 0.00 C ATOM 274 CD2 TYR A 19 -4.524 -0.281 0.991 1.00 0.00 C ATOM 275 CE1 TYR A 19 -2.431 1.150 2.185 1.00 0.00 C ATOM 276 CE2 TYR A 19 -4.660 1.093 1.232 1.00 0.00 C ATOM 277 CZ TYR A 19 -3.614 1.807 1.831 1.00 0.00 C ATOM 278 OH TYR A 19 -3.751 3.159 2.070 1.00 0.00 O ATOM 279 H TYR A 19 -1.684 -3.564 3.256 1.00 0.00 H ATOM 280 HA TYR A 19 -4.495 -2.717 2.794 1.00 0.00 H ATOM 281 HB2 TYR A 19 -2.171 -2.659 0.859 1.00 0.00 H ATOM 282 HB3 TYR A 19 -3.842 -2.724 0.292 1.00 0.00 H ATOM 283 HD1 TYR A 19 -1.376 -0.726 2.213 1.00 0.00 H ATOM 284 HD2 TYR A 19 -5.330 -0.829 0.526 1.00 0.00 H ATOM 285 HE1 TYR A 19 -1.622 1.703 2.636 1.00 0.00 H ATOM 286 HE2 TYR A 19 -5.574 1.602 0.953 1.00 0.00 H ATOM 287 HH TYR A 19 -3.859 3.284 3.016 1.00 0.00 H ATOM 288 N CYS A 20 -2.831 -5.485 2.206 1.00 0.00 N ATOM 289 CA CYS A 20 -3.038 -6.946 1.997 1.00 0.00 C ATOM 290 C CYS A 20 -3.037 -7.669 3.346 1.00 0.00 C ATOM 291 O CYS A 20 -2.635 -7.118 4.352 1.00 0.00 O ATOM 292 CB CYS A 20 -1.849 -7.397 1.161 1.00 0.00 C ATOM 293 SG CYS A 20 -0.319 -7.149 2.098 1.00 0.00 S ATOM 294 H CYS A 20 -1.935 -5.149 2.405 1.00 0.00 H ATOM 295 HA CYS A 20 -3.958 -7.129 1.465 1.00 0.00 H ATOM 296 HB2 CYS A 20 -1.956 -8.444 0.920 1.00 0.00 H ATOM 297 HB3 CYS A 20 -1.809 -6.821 0.249 1.00 0.00 H ATOM 298 N ASN A 21 -3.473 -8.897 3.377 1.00 0.00 N ATOM 299 CA ASN A 21 -3.484 -9.646 4.667 1.00 0.00 C ATOM 300 C ASN A 21 -4.363 -8.927 5.693 1.00 0.00 C ATOM 301 O ASN A 21 -5.564 -9.148 5.675 1.00 0.00 O ATOM 302 CB ASN A 21 -2.024 -9.655 5.121 1.00 0.00 C ATOM 303 CG ASN A 21 -1.593 -11.087 5.442 1.00 0.00 C ATOM 304 OD1 ASN A 21 -2.066 -11.680 6.390 1.00 0.00 O ATOM 305 ND2 ASN A 21 -0.705 -11.671 4.684 1.00 0.00 N ATOM 306 OXT ASN A 21 -3.822 -8.169 6.480 1.00 0.00 O ATOM 307 H ASN A 21 -3.789 -9.328 2.556 1.00 0.00 H ATOM 308 HA ASN A 21 -3.829 -10.657 4.515 1.00 0.00 H ATOM 309 HB2 ASN A 21 -1.401 -9.260 4.333 1.00 0.00 H ATOM 310 HB3 ASN A 21 -1.917 -9.043 6.004 1.00 0.00 H ATOM 311 HD21 ASN A 21 -0.323 -11.192 3.919 1.00 0.00 H ATOM 312 HD22 ASN A 21 -0.421 -12.588 4.880 1.00 0.00 H TER 313 ASN A 21 ATOM 314 N PHE B 1 9.097 -2.838 -8.954 1.00 0.00 N ATOM 315 CA PHE B 1 8.521 -1.867 -7.980 1.00 0.00 C ATOM 316 C PHE B 1 9.638 -1.207 -7.165 1.00 0.00 C ATOM 317 O PHE B 1 10.545 -1.862 -6.690 1.00 0.00 O ATOM 318 CB PHE B 1 7.613 -2.708 -7.078 1.00 0.00 C ATOM 319 CG PHE B 1 7.340 -1.965 -5.791 1.00 0.00 C ATOM 320 CD1 PHE B 1 6.976 -0.612 -5.825 1.00 0.00 C ATOM 321 CD2 PHE B 1 7.451 -2.628 -4.563 1.00 0.00 C ATOM 322 CE1 PHE B 1 6.725 0.077 -4.631 1.00 0.00 C ATOM 323 CE2 PHE B 1 7.200 -1.939 -3.370 1.00 0.00 C ATOM 324 CZ PHE B 1 6.837 -0.588 -3.403 1.00 0.00 C ATOM 325 H1 PHE B 1 9.745 -2.340 -9.598 1.00 0.00 H ATOM 326 H2 PHE B 1 9.617 -3.577 -8.440 1.00 0.00 H ATOM 327 H3 PHE B 1 8.330 -3.276 -9.502 1.00 0.00 H ATOM 328 HA PHE B 1 7.938 -1.119 -8.493 1.00 0.00 H ATOM 329 HB2 PHE B 1 6.680 -2.901 -7.588 1.00 0.00 H ATOM 330 HB3 PHE B 1 8.100 -3.645 -6.854 1.00 0.00 H ATOM 331 HD1 PHE B 1 6.891 -0.099 -6.769 1.00 0.00 H ATOM 332 HD2 PHE B 1 7.732 -3.671 -4.536 1.00 0.00 H ATOM 333 HE1 PHE B 1 6.445 1.120 -4.656 1.00 0.00 H ATOM 334 HE2 PHE B 1 7.287 -2.451 -2.425 1.00 0.00 H ATOM 335 HZ PHE B 1 6.642 -0.058 -2.482 1.00 0.00 H ATOM 336 N VAL B 2 9.573 0.086 -6.996 1.00 0.00 N ATOM 337 CA VAL B 2 10.618 0.797 -6.209 1.00 0.00 C ATOM 338 C VAL B 2 10.023 2.060 -5.584 1.00 0.00 C ATOM 339 O VAL B 2 8.826 2.267 -5.599 1.00 0.00 O ATOM 340 CB VAL B 2 11.703 1.162 -7.225 1.00 0.00 C ATOM 341 CG1 VAL B 2 12.322 -0.115 -7.796 1.00 0.00 C ATOM 342 CG2 VAL B 2 11.084 1.980 -8.361 1.00 0.00 C ATOM 343 H VAL B 2 8.830 0.591 -7.384 1.00 0.00 H ATOM 344 HA VAL B 2 11.026 0.152 -5.447 1.00 0.00 H ATOM 345 HB VAL B 2 12.470 1.744 -6.735 1.00 0.00 H ATOM 346 HG11 VAL B 2 12.613 -0.768 -6.987 1.00 0.00 H ATOM 347 HG12 VAL B 2 11.599 -0.616 -8.422 1.00 0.00 H ATOM 348 HG13 VAL B 2 13.193 0.140 -8.384 1.00 0.00 H ATOM 349 HG21 VAL B 2 10.031 2.121 -8.172 1.00 0.00 H ATOM 350 HG22 VAL B 2 11.572 2.942 -8.418 1.00 0.00 H ATOM 351 HG23 VAL B 2 11.216 1.454 -9.296 1.00 0.00 H ATOM 352 N ASN B 3 10.850 2.905 -5.035 1.00 0.00 N ATOM 353 CA ASN B 3 10.333 4.159 -4.409 1.00 0.00 C ATOM 354 C ASN B 3 9.823 5.117 -5.491 1.00 0.00 C ATOM 355 O ASN B 3 10.581 5.860 -6.082 1.00 0.00 O ATOM 356 CB ASN B 3 11.538 4.765 -3.689 1.00 0.00 C ATOM 357 CG ASN B 3 11.457 4.450 -2.195 1.00 0.00 C ATOM 358 OD1 ASN B 3 11.240 5.331 -1.387 1.00 0.00 O ATOM 359 ND2 ASN B 3 11.625 3.221 -1.790 1.00 0.00 N ATOM 360 H ASN B 3 11.809 2.717 -5.037 1.00 0.00 H ATOM 361 HA ASN B 3 9.552 3.935 -3.701 1.00 0.00 H ATOM 362 HB2 ASN B 3 12.448 4.349 -4.097 1.00 0.00 H ATOM 363 HB3 ASN B 3 11.538 5.836 -3.830 1.00 0.00 H ATOM 364 HD21 ASN B 3 11.799 2.509 -2.440 1.00 0.00 H ATOM 365 HD22 ASN B 3 11.577 3.010 -0.834 1.00 0.00 H ATOM 366 N GLN B 4 8.546 5.102 -5.760 1.00 0.00 N ATOM 367 CA GLN B 4 7.999 6.006 -6.807 1.00 0.00 C ATOM 368 C GLN B 4 6.483 6.171 -6.616 1.00 0.00 C ATOM 369 O GLN B 4 5.924 5.766 -5.604 1.00 0.00 O ATOM 370 CB GLN B 4 8.318 5.288 -8.121 1.00 0.00 C ATOM 371 CG GLN B 4 8.264 6.285 -9.279 1.00 0.00 C ATOM 372 CD GLN B 4 9.623 6.319 -9.984 1.00 0.00 C ATOM 373 OE1 GLN B 4 10.466 7.131 -9.661 1.00 0.00 O ATOM 374 NE2 GLN B 4 9.874 5.463 -10.937 1.00 0.00 N ATOM 375 H GLN B 4 7.948 4.493 -5.280 1.00 0.00 H ATOM 376 HA GLN B 4 8.495 6.962 -6.780 1.00 0.00 H ATOM 377 HB2 GLN B 4 9.311 4.865 -8.061 1.00 0.00 H ATOM 378 HB3 GLN B 4 7.601 4.497 -8.289 1.00 0.00 H ATOM 379 HG2 GLN B 4 7.499 5.984 -9.981 1.00 0.00 H ATOM 380 HG3 GLN B 4 8.037 7.269 -8.898 1.00 0.00 H ATOM 381 HE21 GLN B 4 9.196 4.806 -11.198 1.00 0.00 H ATOM 382 HE22 GLN B 4 10.742 5.477 -11.393 1.00 0.00 H ATOM 383 N HIS B 5 5.806 6.756 -7.575 1.00 0.00 N ATOM 384 CA HIS B 5 4.330 6.920 -7.439 1.00 0.00 C ATOM 385 C HIS B 5 3.626 5.776 -8.186 1.00 0.00 C ATOM 386 O HIS B 5 3.979 5.443 -9.299 1.00 0.00 O ATOM 387 CB HIS B 5 3.955 8.283 -8.057 1.00 0.00 C ATOM 388 CG HIS B 5 5.100 9.249 -7.950 1.00 0.00 C ATOM 389 ND1 HIS B 5 5.137 10.228 -6.972 1.00 0.00 N ATOM 390 CD2 HIS B 5 6.252 9.397 -8.677 1.00 0.00 C ATOM 391 CE1 HIS B 5 6.280 10.915 -7.130 1.00 0.00 C ATOM 392 NE2 HIS B 5 6.999 10.451 -8.158 1.00 0.00 N ATOM 393 H HIS B 5 6.263 7.075 -8.379 1.00 0.00 H ATOM 394 HA HIS B 5 4.058 6.903 -6.395 1.00 0.00 H ATOM 395 HB2 HIS B 5 3.688 8.151 -9.090 1.00 0.00 H ATOM 396 HB3 HIS B 5 3.107 8.693 -7.530 1.00 0.00 H ATOM 397 HD1 HIS B 5 4.448 10.396 -6.296 1.00 0.00 H ATOM 398 HD2 HIS B 5 6.530 8.797 -9.531 1.00 0.00 H ATOM 399 HE1 HIS B 5 6.585 11.735 -6.496 1.00 0.00 H ATOM 400 N LEU B 6 2.667 5.142 -7.565 1.00 0.00 N ATOM 401 CA LEU B 6 1.988 3.988 -8.222 1.00 0.00 C ATOM 402 C LEU B 6 0.511 4.214 -8.556 1.00 0.00 C ATOM 403 O LEU B 6 -0.256 3.279 -8.518 1.00 0.00 O ATOM 404 CB LEU B 6 2.078 2.864 -7.192 1.00 0.00 C ATOM 405 CG LEU B 6 3.520 2.681 -6.737 1.00 0.00 C ATOM 406 CD1 LEU B 6 3.539 2.088 -5.327 1.00 0.00 C ATOM 407 CD2 LEU B 6 4.214 1.729 -7.696 1.00 0.00 C ATOM 408 H LEU B 6 2.432 5.394 -6.659 1.00 0.00 H ATOM 409 HA LEU B 6 2.517 3.719 -9.104 1.00 0.00 H ATOM 410 HB2 LEU B 6 1.466 3.112 -6.343 1.00 0.00 H ATOM 411 HB3 LEU B 6 1.718 1.952 -7.626 1.00 0.00 H ATOM 412 HG LEU B 6 4.028 3.634 -6.738 1.00 0.00 H ATOM 413 HD11 LEU B 6 2.666 2.423 -4.786 1.00 0.00 H ATOM 414 HD12 LEU B 6 3.532 1.011 -5.390 1.00 0.00 H ATOM 415 HD13 LEU B 6 4.429 2.414 -4.811 1.00 0.00 H ATOM 416 HD21 LEU B 6 3.499 1.377 -8.427 1.00 0.00 H ATOM 417 HD22 LEU B 6 5.016 2.247 -8.196 1.00 0.00 H ATOM 418 HD23 LEU B 6 4.609 0.890 -7.145 1.00 0.00 H ATOM 419 N CYS B 7 0.099 5.400 -8.891 1.00 0.00 N ATOM 420 CA CYS B 7 -1.347 5.629 -9.224 1.00 0.00 C ATOM 421 C CYS B 7 -2.086 4.324 -9.571 1.00 0.00 C ATOM 422 O CYS B 7 -1.645 3.531 -10.380 1.00 0.00 O ATOM 423 CB CYS B 7 -1.351 6.594 -10.403 1.00 0.00 C ATOM 424 SG CYS B 7 -2.755 7.708 -10.223 1.00 0.00 S ATOM 425 H CYS B 7 0.731 6.142 -8.925 1.00 0.00 H ATOM 426 HA CYS B 7 -1.836 6.090 -8.391 1.00 0.00 H ATOM 427 HB2 CYS B 7 -0.436 7.170 -10.401 1.00 0.00 H ATOM 428 HB3 CYS B 7 -1.439 6.047 -11.326 1.00 0.00 H ATOM 429 N GLY B 8 -3.193 4.117 -8.908 1.00 0.00 N ATOM 430 CA GLY B 8 -4.045 2.893 -9.076 1.00 0.00 C ATOM 431 C GLY B 8 -3.450 1.826 -10.018 1.00 0.00 C ATOM 432 O GLY B 8 -3.116 0.744 -9.576 1.00 0.00 O ATOM 433 H GLY B 8 -3.472 4.789 -8.252 1.00 0.00 H ATOM 434 HA2 GLY B 8 -4.169 2.442 -8.104 1.00 0.00 H ATOM 435 HA3 GLY B 8 -5.018 3.189 -9.434 1.00 0.00 H ATOM 436 N SER B 9 -3.344 2.070 -11.305 1.00 0.00 N ATOM 437 CA SER B 9 -2.815 1.006 -12.201 1.00 0.00 C ATOM 438 C SER B 9 -1.417 0.571 -11.777 1.00 0.00 C ATOM 439 O SER B 9 -1.048 -0.586 -11.910 1.00 0.00 O ATOM 440 CB SER B 9 -2.792 1.628 -13.599 1.00 0.00 C ATOM 441 OG SER B 9 -4.051 1.419 -14.225 1.00 0.00 O ATOM 442 H SER B 9 -3.632 2.923 -11.687 1.00 0.00 H ATOM 443 HA SER B 9 -3.477 0.162 -12.189 1.00 0.00 H ATOM 444 HB2 SER B 9 -2.605 2.686 -13.523 1.00 0.00 H ATOM 445 HB3 SER B 9 -2.006 1.166 -14.184 1.00 0.00 H ATOM 446 HG SER B 9 -3.932 1.527 -15.172 1.00 0.00 H ATOM 447 N HIS B 10 -0.641 1.455 -11.229 1.00 0.00 N ATOM 448 CA HIS B 10 0.708 1.028 -10.791 1.00 0.00 C ATOM 449 C HIS B 10 0.548 0.389 -9.431 1.00 0.00 C ATOM 450 O HIS B 10 1.168 -0.605 -9.109 1.00 0.00 O ATOM 451 CB HIS B 10 1.548 2.297 -10.724 1.00 0.00 C ATOM 452 CG HIS B 10 2.284 2.484 -12.023 1.00 0.00 C ATOM 453 ND1 HIS B 10 1.658 2.367 -13.254 1.00 0.00 N ATOM 454 CD2 HIS B 10 3.597 2.783 -12.297 1.00 0.00 C ATOM 455 CE1 HIS B 10 2.584 2.592 -14.204 1.00 0.00 C ATOM 456 NE2 HIS B 10 3.783 2.850 -13.675 1.00 0.00 N ATOM 457 H HIS B 10 -0.955 2.379 -11.071 1.00 0.00 H ATOM 458 HA HIS B 10 1.132 0.327 -11.494 1.00 0.00 H ATOM 459 HB2 HIS B 10 0.903 3.145 -10.554 1.00 0.00 H ATOM 460 HB3 HIS B 10 2.256 2.210 -9.918 1.00 0.00 H ATOM 461 HD1 HIS B 10 0.712 2.157 -13.406 1.00 0.00 H ATOM 462 HD2 HIS B 10 4.366 2.940 -11.557 1.00 0.00 H ATOM 463 HE1 HIS B 10 2.383 2.567 -15.265 1.00 0.00 H ATOM 464 N LEU B 11 -0.316 0.942 -8.638 1.00 0.00 N ATOM 465 CA LEU B 11 -0.561 0.353 -7.306 1.00 0.00 C ATOM 466 C LEU B 11 -1.055 -1.066 -7.479 1.00 0.00 C ATOM 467 O LEU B 11 -0.503 -1.989 -6.923 1.00 0.00 O ATOM 468 CB LEU B 11 -1.670 1.176 -6.673 1.00 0.00 C ATOM 469 CG LEU B 11 -1.055 2.321 -5.885 1.00 0.00 C ATOM 470 CD1 LEU B 11 -2.157 3.255 -5.395 1.00 0.00 C ATOM 471 CD2 LEU B 11 -0.310 1.726 -4.694 1.00 0.00 C ATOM 472 H LEU B 11 -0.817 1.737 -8.930 1.00 0.00 H ATOM 473 HA LEU B 11 0.332 0.386 -6.699 1.00 0.00 H ATOM 474 HB2 LEU B 11 -2.324 1.549 -7.442 1.00 0.00 H ATOM 475 HB3 LEU B 11 -2.237 0.551 -5.997 1.00 0.00 H ATOM 476 HG LEU B 11 -0.366 2.867 -6.508 1.00 0.00 H ATOM 477 HD11 LEU B 11 -2.929 2.675 -4.911 1.00 0.00 H ATOM 478 HD12 LEU B 11 -1.745 3.964 -4.694 1.00 0.00 H ATOM 479 HD13 LEU B 11 -2.580 3.783 -6.237 1.00 0.00 H ATOM 480 HD21 LEU B 11 -0.466 0.656 -4.675 1.00 0.00 H ATOM 481 HD22 LEU B 11 0.745 1.932 -4.788 1.00 0.00 H ATOM 482 HD23 LEU B 11 -0.685 2.160 -3.781 1.00 0.00 H ATOM 483 N VAL B 12 -2.099 -1.261 -8.243 1.00 0.00 N ATOM 484 CA VAL B 12 -2.594 -2.632 -8.398 1.00 0.00 C ATOM 485 C VAL B 12 -1.432 -3.525 -8.824 1.00 0.00 C ATOM 486 O VAL B 12 -1.409 -4.698 -8.530 1.00 0.00 O ATOM 487 CB VAL B 12 -3.698 -2.552 -9.457 1.00 0.00 C ATOM 488 CG1 VAL B 12 -3.666 -3.780 -10.366 1.00 0.00 C ATOM 489 CG2 VAL B 12 -5.060 -2.478 -8.767 1.00 0.00 C ATOM 490 H VAL B 12 -2.551 -0.515 -8.706 1.00 0.00 H ATOM 491 HA VAL B 12 -3.001 -2.959 -7.460 1.00 0.00 H ATOM 492 HB VAL B 12 -3.551 -1.669 -10.046 1.00 0.00 H ATOM 493 HG11 VAL B 12 -3.535 -4.668 -9.765 1.00 0.00 H ATOM 494 HG12 VAL B 12 -4.596 -3.847 -10.909 1.00 0.00 H ATOM 495 HG13 VAL B 12 -2.846 -3.690 -11.062 1.00 0.00 H ATOM 496 HG21 VAL B 12 -5.059 -1.667 -8.057 1.00 0.00 H ATOM 497 HG22 VAL B 12 -5.828 -2.309 -9.507 1.00 0.00 H ATOM 498 HG23 VAL B 12 -5.254 -3.408 -8.253 1.00 0.00 H ATOM 499 N GLU B 13 -0.459 -2.977 -9.504 1.00 0.00 N ATOM 500 CA GLU B 13 0.697 -3.818 -9.921 1.00 0.00 C ATOM 501 C GLU B 13 1.818 -3.750 -8.868 1.00 0.00 C ATOM 502 O GLU B 13 2.720 -4.570 -8.853 1.00 0.00 O ATOM 503 CB GLU B 13 1.137 -3.252 -11.287 1.00 0.00 C ATOM 504 CG GLU B 13 2.389 -2.374 -11.151 1.00 0.00 C ATOM 505 CD GLU B 13 3.639 -3.239 -11.316 1.00 0.00 C ATOM 506 OE1 GLU B 13 3.770 -3.866 -12.355 1.00 0.00 O ATOM 507 OE2 GLU B 13 4.446 -3.262 -10.402 1.00 0.00 O ATOM 508 H GLU B 13 -0.486 -2.022 -9.732 1.00 0.00 H ATOM 509 HA GLU B 13 0.376 -4.837 -10.039 1.00 0.00 H ATOM 510 HB2 GLU B 13 1.354 -4.071 -11.957 1.00 0.00 H ATOM 511 HB3 GLU B 13 0.334 -2.661 -11.701 1.00 0.00 H ATOM 512 HG2 GLU B 13 2.375 -1.611 -11.915 1.00 0.00 H ATOM 513 HG3 GLU B 13 2.400 -1.910 -10.178 1.00 0.00 H ATOM 514 N ALA B 14 1.752 -2.806 -7.964 1.00 0.00 N ATOM 515 CA ALA B 14 2.803 -2.716 -6.915 1.00 0.00 C ATOM 516 C ALA B 14 2.248 -3.296 -5.632 1.00 0.00 C ATOM 517 O ALA B 14 2.970 -3.699 -4.742 1.00 0.00 O ATOM 518 CB ALA B 14 3.091 -1.222 -6.751 1.00 0.00 C ATOM 519 H ALA B 14 0.995 -2.175 -7.953 1.00 0.00 H ATOM 520 HA ALA B 14 3.693 -3.242 -7.220 1.00 0.00 H ATOM 521 HB1 ALA B 14 3.287 -0.783 -7.718 1.00 0.00 H ATOM 522 HB2 ALA B 14 2.236 -0.737 -6.301 1.00 0.00 H ATOM 523 HB3 ALA B 14 3.953 -1.089 -6.115 1.00 0.00 H ATOM 524 N LEU B 15 0.956 -3.351 -5.545 1.00 0.00 N ATOM 525 CA LEU B 15 0.316 -3.911 -4.345 1.00 0.00 C ATOM 526 C LEU B 15 0.138 -5.410 -4.561 1.00 0.00 C ATOM 527 O LEU B 15 0.095 -6.185 -3.626 1.00 0.00 O ATOM 528 CB LEU B 15 -0.998 -3.142 -4.286 1.00 0.00 C ATOM 529 CG LEU B 15 -2.130 -3.982 -3.692 1.00 0.00 C ATOM 530 CD1 LEU B 15 -1.645 -4.721 -2.448 1.00 0.00 C ATOM 531 CD2 LEU B 15 -3.285 -3.061 -3.303 1.00 0.00 C ATOM 532 H LEU B 15 0.395 -3.027 -6.288 1.00 0.00 H ATOM 533 HA LEU B 15 0.916 -3.719 -3.470 1.00 0.00 H ATOM 534 HB2 LEU B 15 -0.860 -2.250 -3.712 1.00 0.00 H ATOM 535 HB3 LEU B 15 -1.260 -2.858 -5.271 1.00 0.00 H ATOM 536 HG LEU B 15 -2.472 -4.692 -4.435 1.00 0.00 H ATOM 537 HD11 LEU B 15 -0.627 -4.435 -2.234 1.00 0.00 H ATOM 538 HD12 LEU B 15 -2.276 -4.463 -1.611 1.00 0.00 H ATOM 539 HD13 LEU B 15 -1.693 -5.785 -2.621 1.00 0.00 H ATOM 540 HD21 LEU B 15 -2.892 -2.114 -2.961 1.00 0.00 H ATOM 541 HD22 LEU B 15 -3.920 -2.897 -4.161 1.00 0.00 H ATOM 542 HD23 LEU B 15 -3.860 -3.518 -2.512 1.00 0.00 H ATOM 543 N TYR B 16 0.102 -5.836 -5.798 1.00 0.00 N ATOM 544 CA TYR B 16 0.001 -7.294 -6.063 1.00 0.00 C ATOM 545 C TYR B 16 1.404 -7.878 -5.989 1.00 0.00 C ATOM 546 O TYR B 16 1.626 -8.937 -5.440 1.00 0.00 O ATOM 547 CB TYR B 16 -0.561 -7.432 -7.490 1.00 0.00 C ATOM 548 CG TYR B 16 0.400 -8.217 -8.373 1.00 0.00 C ATOM 549 CD1 TYR B 16 0.652 -9.572 -8.104 1.00 0.00 C ATOM 550 CD2 TYR B 16 1.044 -7.589 -9.447 1.00 0.00 C ATOM 551 CE1 TYR B 16 1.542 -10.292 -8.910 1.00 0.00 C ATOM 552 CE2 TYR B 16 1.933 -8.311 -10.253 1.00 0.00 C ATOM 553 CZ TYR B 16 2.181 -9.662 -9.986 1.00 0.00 C ATOM 554 OH TYR B 16 3.057 -10.373 -10.780 1.00 0.00 O ATOM 555 H TYR B 16 0.188 -5.202 -6.548 1.00 0.00 H ATOM 556 HA TYR B 16 -0.652 -7.770 -5.350 1.00 0.00 H ATOM 557 HB2 TYR B 16 -1.508 -7.943 -7.456 1.00 0.00 H ATOM 558 HB3 TYR B 16 -0.705 -6.456 -7.903 1.00 0.00 H ATOM 559 HD1 TYR B 16 0.167 -10.061 -7.273 1.00 0.00 H ATOM 560 HD2 TYR B 16 0.863 -6.550 -9.651 1.00 0.00 H ATOM 561 HE1 TYR B 16 1.735 -11.334 -8.703 1.00 0.00 H ATOM 562 HE2 TYR B 16 2.425 -7.824 -11.082 1.00 0.00 H ATOM 563 HH TYR B 16 3.003 -10.019 -11.670 1.00 0.00 H ATOM 564 N LEU B 17 2.353 -7.195 -6.574 1.00 0.00 N ATOM 565 CA LEU B 17 3.728 -7.732 -6.563 1.00 0.00 C ATOM 566 C LEU B 17 4.169 -7.800 -5.127 1.00 0.00 C ATOM 567 O LEU B 17 5.007 -8.592 -4.745 1.00 0.00 O ATOM 568 CB LEU B 17 4.600 -6.681 -7.240 1.00 0.00 C ATOM 569 CG LEU B 17 5.488 -7.290 -8.346 1.00 0.00 C ATOM 570 CD1 LEU B 17 5.770 -8.772 -8.077 1.00 0.00 C ATOM 571 CD2 LEU B 17 4.778 -7.151 -9.695 1.00 0.00 C ATOM 572 H LEU B 17 2.154 -6.349 -7.029 1.00 0.00 H ATOM 573 HA LEU B 17 3.777 -8.684 -7.061 1.00 0.00 H ATOM 574 HB2 LEU B 17 3.983 -5.912 -7.618 1.00 0.00 H ATOM 575 HB3 LEU B 17 5.252 -6.249 -6.492 1.00 0.00 H ATOM 576 HG LEU B 17 6.425 -6.754 -8.381 1.00 0.00 H ATOM 577 HD11 LEU B 17 5.672 -8.970 -7.020 1.00 0.00 H ATOM 578 HD12 LEU B 17 5.058 -9.376 -8.622 1.00 0.00 H ATOM 579 HD13 LEU B 17 6.770 -9.015 -8.400 1.00 0.00 H ATOM 580 HD21 LEU B 17 4.082 -6.326 -9.651 1.00 0.00 H ATOM 581 HD22 LEU B 17 5.508 -6.964 -10.468 1.00 0.00 H ATOM 582 HD23 LEU B 17 4.243 -8.062 -9.916 1.00 0.00 H ATOM 583 N VAL B 18 3.641 -6.913 -4.330 1.00 0.00 N ATOM 584 CA VAL B 18 4.076 -6.879 -2.936 1.00 0.00 C ATOM 585 C VAL B 18 3.197 -7.780 -2.059 1.00 0.00 C ATOM 586 O VAL B 18 3.603 -8.229 -1.005 1.00 0.00 O ATOM 587 CB VAL B 18 3.960 -5.411 -2.506 1.00 0.00 C ATOM 588 CG1 VAL B 18 2.529 -5.104 -2.057 1.00 0.00 C ATOM 589 CG2 VAL B 18 4.921 -5.153 -1.344 1.00 0.00 C ATOM 590 H VAL B 18 2.993 -6.253 -4.664 1.00 0.00 H ATOM 591 HA VAL B 18 5.101 -7.181 -2.917 1.00 0.00 H ATOM 592 HB VAL B 18 4.216 -4.771 -3.336 1.00 0.00 H ATOM 593 HG11 VAL B 18 2.240 -5.794 -1.279 1.00 0.00 H ATOM 594 HG12 VAL B 18 2.481 -4.095 -1.677 1.00 0.00 H ATOM 595 HG13 VAL B 18 1.859 -5.207 -2.896 1.00 0.00 H ATOM 596 HG21 VAL B 18 5.090 -6.075 -0.806 1.00 0.00 H ATOM 597 HG22 VAL B 18 5.860 -4.783 -1.727 1.00 0.00 H ATOM 598 HG23 VAL B 18 4.491 -4.422 -0.676 1.00 0.00 H ATOM 599 N CYS B 19 1.984 -8.020 -2.479 1.00 0.00 N ATOM 600 CA CYS B 19 1.058 -8.862 -1.669 1.00 0.00 C ATOM 601 C CYS B 19 0.035 -9.542 -2.592 1.00 0.00 C ATOM 602 O CYS B 19 -1.158 -9.350 -2.446 1.00 0.00 O ATOM 603 CB CYS B 19 0.357 -7.860 -0.752 1.00 0.00 C ATOM 604 SG CYS B 19 1.109 -7.912 0.894 1.00 0.00 S ATOM 605 H CYS B 19 1.672 -7.631 -3.327 1.00 0.00 H ATOM 606 HA CYS B 19 1.604 -9.583 -1.073 1.00 0.00 H ATOM 607 HB2 CYS B 19 0.463 -6.866 -1.161 1.00 0.00 H ATOM 608 HB3 CYS B 19 -0.689 -8.108 -0.679 1.00 0.00 H ATOM 609 N GLY B 20 0.479 -10.312 -3.559 1.00 0.00 N ATOM 610 CA GLY B 20 -0.483 -10.960 -4.488 1.00 0.00 C ATOM 611 C GLY B 20 -1.126 -12.179 -3.830 1.00 0.00 C ATOM 612 O GLY B 20 -2.267 -12.147 -3.425 1.00 0.00 O ATOM 613 H GLY B 20 1.440 -10.452 -3.688 1.00 0.00 H ATOM 614 HA2 GLY B 20 -1.249 -10.256 -4.755 1.00 0.00 H ATOM 615 HA3 GLY B 20 0.044 -11.266 -5.373 1.00 0.00 H ATOM 616 N GLU B 21 -0.408 -13.255 -3.734 1.00 0.00 N ATOM 617 CA GLU B 21 -0.984 -14.484 -3.111 1.00 0.00 C ATOM 618 C GLU B 21 -1.777 -14.129 -1.851 1.00 0.00 C ATOM 619 O GLU B 21 -2.696 -14.825 -1.467 1.00 0.00 O ATOM 620 CB GLU B 21 0.220 -15.356 -2.756 1.00 0.00 C ATOM 621 CG GLU B 21 0.012 -16.767 -3.312 1.00 0.00 C ATOM 622 CD GLU B 21 1.261 -17.606 -3.039 1.00 0.00 C ATOM 623 OE1 GLU B 21 2.224 -17.452 -3.769 1.00 0.00 O ATOM 624 OE2 GLU B 21 1.232 -18.387 -2.102 1.00 0.00 O ATOM 625 H GLU B 21 0.506 -13.259 -4.080 1.00 0.00 H ATOM 626 HA GLU B 21 -1.613 -14.998 -3.814 1.00 0.00 H ATOM 627 HB2 GLU B 21 1.114 -14.927 -3.185 1.00 0.00 H ATOM 628 HB3 GLU B 21 0.323 -15.406 -1.684 1.00 0.00 H ATOM 629 HG2 GLU B 21 -0.841 -17.222 -2.831 1.00 0.00 H ATOM 630 HG3 GLU B 21 -0.160 -16.714 -4.376 1.00 0.00 H ATOM 631 N ARG B 22 -1.429 -13.054 -1.205 1.00 0.00 N ATOM 632 CA ARG B 22 -2.161 -12.658 0.037 1.00 0.00 C ATOM 633 C ARG B 22 -3.369 -11.780 -0.306 1.00 0.00 C ATOM 634 O ARG B 22 -4.220 -11.527 0.524 1.00 0.00 O ATOM 635 CB ARG B 22 -1.147 -11.870 0.866 1.00 0.00 C ATOM 636 CG ARG B 22 -0.006 -12.796 1.286 1.00 0.00 C ATOM 637 CD ARG B 22 -0.544 -13.871 2.234 1.00 0.00 C ATOM 638 NE ARG B 22 0.665 -14.436 2.895 1.00 0.00 N ATOM 639 CZ ARG B 22 1.058 -15.646 2.608 1.00 0.00 C ATOM 640 NH1 ARG B 22 0.277 -16.663 2.852 1.00 0.00 N ATOM 641 NH2 ARG B 22 2.237 -15.840 2.081 1.00 0.00 N ATOM 642 H ARG B 22 -0.685 -12.510 -1.532 1.00 0.00 H ATOM 643 HA ARG B 22 -2.477 -13.533 0.580 1.00 0.00 H ATOM 644 HB2 ARG B 22 -0.754 -11.055 0.277 1.00 0.00 H ATOM 645 HB3 ARG B 22 -1.630 -11.477 1.749 1.00 0.00 H ATOM 646 HG2 ARG B 22 0.417 -13.264 0.409 1.00 0.00 H ATOM 647 HG3 ARG B 22 0.755 -12.222 1.792 1.00 0.00 H ATOM 648 HD2 ARG B 22 -1.205 -13.428 2.966 1.00 0.00 H ATOM 649 HD3 ARG B 22 -1.056 -14.641 1.678 1.00 0.00 H ATOM 650 HE ARG B 22 1.162 -13.898 3.544 1.00 0.00 H ATOM 651 HH11 ARG B 22 -0.625 -16.514 3.257 1.00 0.00 H ATOM 652 HH12 ARG B 22 0.579 -17.590 2.629 1.00 0.00 H ATOM 653 HH21 ARG B 22 2.835 -15.062 1.894 1.00 0.00 H ATOM 654 HH22 ARG B 22 2.541 -16.768 1.862 1.00 0.00 H ATOM 655 N GLY B 23 -3.453 -11.316 -1.520 1.00 0.00 N ATOM 656 CA GLY B 23 -4.605 -10.459 -1.916 1.00 0.00 C ATOM 657 C GLY B 23 -4.705 -9.260 -0.971 1.00 0.00 C ATOM 658 O GLY B 23 -3.956 -9.140 -0.022 1.00 0.00 O ATOM 659 H GLY B 23 -2.756 -11.533 -2.173 1.00 0.00 H ATOM 660 HA2 GLY B 23 -4.463 -10.112 -2.930 1.00 0.00 H ATOM 661 HA3 GLY B 23 -5.516 -11.033 -1.857 1.00 0.00 H ATOM 662 N PHE B 24 -5.628 -8.373 -1.222 1.00 0.00 N ATOM 663 CA PHE B 24 -5.780 -7.186 -0.337 1.00 0.00 C ATOM 664 C PHE B 24 -7.168 -6.574 -0.512 1.00 0.00 C ATOM 665 O PHE B 24 -8.057 -7.173 -1.084 1.00 0.00 O ATOM 666 CB PHE B 24 -4.698 -6.198 -0.785 1.00 0.00 C ATOM 667 CG PHE B 24 -4.639 -6.146 -2.295 1.00 0.00 C ATOM 668 CD1 PHE B 24 -5.519 -5.320 -3.008 1.00 0.00 C ATOM 669 CD2 PHE B 24 -3.699 -6.925 -2.982 1.00 0.00 C ATOM 670 CE1 PHE B 24 -5.458 -5.273 -4.410 1.00 0.00 C ATOM 671 CE2 PHE B 24 -3.637 -6.878 -4.380 1.00 0.00 C ATOM 672 CZ PHE B 24 -4.517 -6.053 -5.094 1.00 0.00 C ATOM 673 H PHE B 24 -6.225 -8.489 -1.991 1.00 0.00 H ATOM 674 HA PHE B 24 -5.620 -7.462 0.693 1.00 0.00 H ATOM 675 HB2 PHE B 24 -4.928 -5.214 -0.402 1.00 0.00 H ATOM 676 HB3 PHE B 24 -3.741 -6.516 -0.401 1.00 0.00 H ATOM 677 HD1 PHE B 24 -6.244 -4.719 -2.479 1.00 0.00 H ATOM 678 HD2 PHE B 24 -3.019 -7.559 -2.434 1.00 0.00 H ATOM 679 HE1 PHE B 24 -6.135 -4.637 -4.961 1.00 0.00 H ATOM 680 HE2 PHE B 24 -2.914 -7.478 -4.908 1.00 0.00 H ATOM 681 HZ PHE B 24 -4.469 -6.019 -6.173 1.00 0.00 H ATOM 682 N PHE B 25 -7.360 -5.382 -0.025 1.00 0.00 N ATOM 683 CA PHE B 25 -8.690 -4.729 -0.162 1.00 0.00 C ATOM 684 C PHE B 25 -8.527 -3.213 -0.291 1.00 0.00 C ATOM 685 O PHE B 25 -8.576 -2.487 0.683 1.00 0.00 O ATOM 686 CB PHE B 25 -9.441 -5.082 1.120 1.00 0.00 C ATOM 687 CG PHE B 25 -10.814 -4.459 1.080 1.00 0.00 C ATOM 688 CD1 PHE B 25 -11.840 -5.072 0.349 1.00 0.00 C ATOM 689 CD2 PHE B 25 -11.061 -3.265 1.769 1.00 0.00 C ATOM 690 CE1 PHE B 25 -13.114 -4.492 0.308 1.00 0.00 C ATOM 691 CE2 PHE B 25 -12.336 -2.684 1.730 1.00 0.00 C ATOM 692 CZ PHE B 25 -13.363 -3.297 0.998 1.00 0.00 C ATOM 693 H PHE B 25 -6.630 -4.918 0.432 1.00 0.00 H ATOM 694 HA PHE B 25 -9.217 -5.125 -1.017 1.00 0.00 H ATOM 695 HB2 PHE B 25 -9.534 -6.157 1.199 1.00 0.00 H ATOM 696 HB3 PHE B 25 -8.898 -4.702 1.973 1.00 0.00 H ATOM 697 HD1 PHE B 25 -11.649 -5.993 -0.183 1.00 0.00 H ATOM 698 HD2 PHE B 25 -10.270 -2.793 2.334 1.00 0.00 H ATOM 699 HE1 PHE B 25 -13.905 -4.964 -0.256 1.00 0.00 H ATOM 700 HE2 PHE B 25 -12.527 -1.764 2.262 1.00 0.00 H ATOM 701 HZ PHE B 25 -14.344 -2.850 0.966 1.00 0.00 H ATOM 702 N TYR B 26 -8.336 -2.731 -1.486 1.00 0.00 N ATOM 703 CA TYR B 26 -8.174 -1.264 -1.682 1.00 0.00 C ATOM 704 C TYR B 26 -9.049 -0.809 -2.857 1.00 0.00 C ATOM 705 O TYR B 26 -9.040 -1.404 -3.917 1.00 0.00 O ATOM 706 CB TYR B 26 -6.668 -1.074 -1.954 1.00 0.00 C ATOM 707 CG TYR B 26 -6.412 -0.739 -3.406 1.00 0.00 C ATOM 708 CD1 TYR B 26 -6.646 0.562 -3.869 1.00 0.00 C ATOM 709 CD2 TYR B 26 -5.942 -1.723 -4.286 1.00 0.00 C ATOM 710 CE1 TYR B 26 -6.411 0.882 -5.210 1.00 0.00 C ATOM 711 CE2 TYR B 26 -5.707 -1.403 -5.630 1.00 0.00 C ATOM 712 CZ TYR B 26 -5.942 -0.100 -6.092 1.00 0.00 C ATOM 713 OH TYR B 26 -5.711 0.218 -7.414 1.00 0.00 O ATOM 714 H TYR B 26 -8.304 -3.332 -2.257 1.00 0.00 H ATOM 715 HA TYR B 26 -8.453 -0.736 -0.783 1.00 0.00 H ATOM 716 HB2 TYR B 26 -6.295 -0.272 -1.337 1.00 0.00 H ATOM 717 HB3 TYR B 26 -6.145 -1.986 -1.703 1.00 0.00 H ATOM 718 HD1 TYR B 26 -7.007 1.317 -3.189 1.00 0.00 H ATOM 719 HD2 TYR B 26 -5.761 -2.728 -3.930 1.00 0.00 H ATOM 720 HE1 TYR B 26 -6.593 1.885 -5.566 1.00 0.00 H ATOM 721 HE2 TYR B 26 -5.345 -2.161 -6.306 1.00 0.00 H ATOM 722 HH TYR B 26 -5.675 1.176 -7.488 1.00 0.00 H ATOM 723 N THR B 27 -9.810 0.236 -2.680 1.00 0.00 N ATOM 724 CA THR B 27 -10.683 0.710 -3.798 1.00 0.00 C ATOM 725 C THR B 27 -11.123 2.167 -3.594 1.00 0.00 C ATOM 726 O THR B 27 -10.840 3.008 -4.424 1.00 0.00 O ATOM 727 CB THR B 27 -11.909 -0.230 -3.849 1.00 0.00 C ATOM 728 OG1 THR B 27 -13.097 0.550 -3.849 1.00 0.00 O ATOM 729 CG2 THR B 27 -11.934 -1.202 -2.658 1.00 0.00 C ATOM 730 H THR B 27 -9.806 0.703 -1.823 1.00 0.00 H ATOM 731 HA THR B 27 -10.143 0.630 -4.726 1.00 0.00 H ATOM 732 HB THR B 27 -11.870 -0.803 -4.764 1.00 0.00 H ATOM 733 HG1 THR B 27 -13.497 0.484 -4.720 1.00 0.00 H ATOM 734 HG21 THR B 27 -11.558 -0.709 -1.776 1.00 0.00 H ATOM 735 HG22 THR B 27 -12.950 -1.526 -2.482 1.00 0.00 H ATOM 736 HG23 THR B 27 -11.317 -2.060 -2.880 1.00 0.00 H ATOM 737 N PRO B 28 -11.816 2.428 -2.513 1.00 0.00 N ATOM 738 CA PRO B 28 -12.298 3.807 -2.248 1.00 0.00 C ATOM 739 C PRO B 28 -11.137 4.738 -1.899 1.00 0.00 C ATOM 740 O PRO B 28 -10.073 4.305 -1.499 1.00 0.00 O ATOM 741 CB PRO B 28 -13.249 3.637 -1.067 1.00 0.00 C ATOM 742 CG PRO B 28 -12.801 2.389 -0.391 1.00 0.00 C ATOM 743 CD PRO B 28 -12.211 1.497 -1.447 1.00 0.00 C ATOM 744 HA PRO B 28 -12.840 4.184 -3.100 1.00 0.00 H ATOM 745 HB2 PRO B 28 -13.173 4.477 -0.390 1.00 0.00 H ATOM 746 HB3 PRO B 28 -14.264 3.523 -1.414 1.00 0.00 H ATOM 747 HG2 PRO B 28 -12.058 2.621 0.359 1.00 0.00 H ATOM 748 HG3 PRO B 28 -13.643 1.905 0.060 1.00 0.00 H ATOM 749 HD2 PRO B 28 -11.356 0.973 -1.052 1.00 0.00 H ATOM 750 HD3 PRO B 28 -12.949 0.802 -1.810 1.00 0.00 H ATOM 751 N LYS B 29 -11.336 6.017 -2.056 1.00 0.00 N ATOM 752 CA LYS B 29 -10.250 6.991 -1.745 1.00 0.00 C ATOM 753 C LYS B 29 -10.424 7.554 -0.331 1.00 0.00 C ATOM 754 O LYS B 29 -11.138 8.514 -0.118 1.00 0.00 O ATOM 755 CB LYS B 29 -10.400 8.110 -2.782 1.00 0.00 C ATOM 756 CG LYS B 29 -10.725 7.512 -4.155 1.00 0.00 C ATOM 757 CD LYS B 29 -9.779 6.344 -4.445 1.00 0.00 C ATOM 758 CE LYS B 29 -9.242 6.465 -5.873 1.00 0.00 C ATOM 759 NZ LYS B 29 -9.633 5.192 -6.541 1.00 0.00 N ATOM 760 H LYS B 29 -12.202 6.336 -2.384 1.00 0.00 H ATOM 761 HA LYS B 29 -9.284 6.523 -1.847 1.00 0.00 H ATOM 762 HB2 LYS B 29 -11.200 8.772 -2.480 1.00 0.00 H ATOM 763 HB3 LYS B 29 -9.478 8.668 -2.844 1.00 0.00 H ATOM 764 HG2 LYS B 29 -11.746 7.159 -4.160 1.00 0.00 H ATOM 765 HG3 LYS B 29 -10.603 8.269 -4.914 1.00 0.00 H ATOM 766 HD2 LYS B 29 -8.957 6.365 -3.747 1.00 0.00 H ATOM 767 HD3 LYS B 29 -10.316 5.413 -4.343 1.00 0.00 H ATOM 768 HE2 LYS B 29 -9.695 7.310 -6.373 1.00 0.00 H ATOM 769 HE3 LYS B 29 -8.167 6.562 -5.865 1.00 0.00 H ATOM 770 HZ1 LYS B 29 -10.645 5.011 -6.378 1.00 0.00 H ATOM 771 HZ2 LYS B 29 -9.454 5.265 -7.562 1.00 0.00 H ATOM 772 HZ3 LYS B 29 -9.073 4.408 -6.150 1.00 0.00 H ATOM 773 N THR B 30 -9.771 6.969 0.635 1.00 0.00 N ATOM 774 CA THR B 30 -9.892 7.476 2.033 1.00 0.00 C ATOM 775 C THR B 30 -8.706 6.994 2.870 1.00 0.00 C ATOM 776 O THR B 30 -7.756 7.748 3.005 1.00 0.00 O ATOM 777 CB THR B 30 -11.200 6.885 2.563 1.00 0.00 C ATOM 778 OG1 THR B 30 -12.073 6.619 1.476 1.00 0.00 O ATOM 779 CG2 THR B 30 -11.861 7.880 3.520 1.00 0.00 C ATOM 780 OXT THR B 30 -8.767 5.879 3.363 1.00 0.00 O ATOM 781 H THR B 30 -9.196 6.199 0.442 1.00 0.00 H ATOM 782 HA THR B 30 -9.945 8.553 2.038 1.00 0.00 H ATOM 783 HB THR B 30 -10.993 5.968 3.092 1.00 0.00 H ATOM 784 HG1 THR B 30 -12.144 5.666 1.378 1.00 0.00 H ATOM 785 HG21 THR B 30 -11.470 8.871 3.337 1.00 0.00 H ATOM 786 HG22 THR B 30 -12.930 7.879 3.358 1.00 0.00 H ATOM 787 HG23 THR B 30 -11.653 7.593 4.539 1.00 0.00 H TER 788 THR B 30 ENDMDL MODEL 7 ATOM 1 N GLY A 1 -7.646 5.701 1.965 1.00 0.00 N ATOM 2 CA GLY A 1 -7.332 4.719 0.887 1.00 0.00 C ATOM 3 C GLY A 1 -5.870 4.874 0.466 1.00 0.00 C ATOM 4 O GLY A 1 -5.258 5.901 0.685 1.00 0.00 O ATOM 5 H1 GLY A 1 -6.930 5.633 2.715 1.00 0.00 H ATOM 6 H2 GLY A 1 -7.643 6.663 1.568 1.00 0.00 H ATOM 7 H3 GLY A 1 -8.583 5.493 2.363 1.00 0.00 H ATOM 8 HA2 GLY A 1 -7.500 3.717 1.254 1.00 0.00 H ATOM 9 HA3 GLY A 1 -7.970 4.902 0.035 1.00 0.00 H ATOM 10 N ILE A 2 -5.301 3.864 -0.133 1.00 0.00 N ATOM 11 CA ILE A 2 -3.877 3.961 -0.562 1.00 0.00 C ATOM 12 C ILE A 2 -3.787 4.488 -1.998 1.00 0.00 C ATOM 13 O ILE A 2 -2.896 4.137 -2.745 1.00 0.00 O ATOM 14 CB ILE A 2 -3.333 2.535 -0.466 1.00 0.00 C ATOM 15 CG1 ILE A 2 -1.839 2.531 -0.861 1.00 0.00 C ATOM 16 CG2 ILE A 2 -4.155 1.602 -1.357 1.00 0.00 C ATOM 17 CD1 ILE A 2 -1.608 1.775 -2.176 1.00 0.00 C ATOM 18 H ILE A 2 -5.809 3.041 -0.299 1.00 0.00 H ATOM 19 HA ILE A 2 -3.330 4.608 0.107 1.00 0.00 H ATOM 20 HB ILE A 2 -3.425 2.199 0.547 1.00 0.00 H ATOM 21 HG12 ILE A 2 -1.502 3.550 -0.976 1.00 0.00 H ATOM 22 HG13 ILE A 2 -1.268 2.056 -0.076 1.00 0.00 H ATOM 23 HG21 ILE A 2 -4.326 2.073 -2.312 1.00 0.00 H ATOM 24 HG22 ILE A 2 -3.617 0.676 -1.500 1.00 0.00 H ATOM 25 HG23 ILE A 2 -5.102 1.396 -0.881 1.00 0.00 H ATOM 26 HD11 ILE A 2 -2.294 2.140 -2.926 1.00 0.00 H ATOM 27 HD12 ILE A 2 -0.595 1.934 -2.505 1.00 0.00 H ATOM 28 HD13 ILE A 2 -1.775 0.719 -2.019 1.00 0.00 H ATOM 29 N VAL A 3 -4.702 5.335 -2.386 1.00 0.00 N ATOM 30 CA VAL A 3 -4.671 5.890 -3.773 1.00 0.00 C ATOM 31 C VAL A 3 -4.179 7.340 -3.747 1.00 0.00 C ATOM 32 O VAL A 3 -4.036 7.976 -4.773 1.00 0.00 O ATOM 33 CB VAL A 3 -6.121 5.829 -4.271 1.00 0.00 C ATOM 34 CG1 VAL A 3 -6.142 5.836 -5.802 1.00 0.00 C ATOM 35 CG2 VAL A 3 -6.794 4.548 -3.771 1.00 0.00 C ATOM 36 H VAL A 3 -5.410 5.609 -1.766 1.00 0.00 H ATOM 37 HA VAL A 3 -4.041 5.292 -4.405 1.00 0.00 H ATOM 38 HB VAL A 3 -6.662 6.690 -3.902 1.00 0.00 H ATOM 39 HG11 VAL A 3 -5.132 5.785 -6.177 1.00 0.00 H ATOM 40 HG12 VAL A 3 -6.701 4.982 -6.156 1.00 0.00 H ATOM 41 HG13 VAL A 3 -6.612 6.743 -6.153 1.00 0.00 H ATOM 42 HG21 VAL A 3 -6.101 3.724 -3.852 1.00 0.00 H ATOM 43 HG22 VAL A 3 -7.087 4.674 -2.740 1.00 0.00 H ATOM 44 HG23 VAL A 3 -7.668 4.345 -4.372 1.00 0.00 H ATOM 45 N GLU A 4 -3.940 7.875 -2.580 1.00 0.00 N ATOM 46 CA GLU A 4 -3.483 9.292 -2.488 1.00 0.00 C ATOM 47 C GLU A 4 -1.992 9.399 -2.124 1.00 0.00 C ATOM 48 O GLU A 4 -1.419 10.468 -2.186 1.00 0.00 O ATOM 49 CB GLU A 4 -4.349 9.901 -1.382 1.00 0.00 C ATOM 50 CG GLU A 4 -3.741 11.225 -0.917 1.00 0.00 C ATOM 51 CD GLU A 4 -4.860 12.234 -0.646 1.00 0.00 C ATOM 52 OE1 GLU A 4 -5.517 12.630 -1.595 1.00 0.00 O ATOM 53 OE2 GLU A 4 -5.041 12.595 0.506 1.00 0.00 O ATOM 54 H GLU A 4 -4.076 7.351 -1.763 1.00 0.00 H ATOM 55 HA GLU A 4 -3.675 9.804 -3.416 1.00 0.00 H ATOM 56 HB2 GLU A 4 -5.345 10.077 -1.763 1.00 0.00 H ATOM 57 HB3 GLU A 4 -4.398 9.218 -0.547 1.00 0.00 H ATOM 58 HG2 GLU A 4 -3.175 11.062 -0.010 1.00 0.00 H ATOM 59 HG3 GLU A 4 -3.090 11.611 -1.685 1.00 0.00 H ATOM 60 N GLN A 5 -1.350 8.330 -1.727 1.00 0.00 N ATOM 61 CA GLN A 5 0.093 8.463 -1.353 1.00 0.00 C ATOM 62 C GLN A 5 1.023 7.997 -2.493 1.00 0.00 C ATOM 63 O GLN A 5 1.995 8.659 -2.791 1.00 0.00 O ATOM 64 CB GLN A 5 0.276 7.630 -0.070 1.00 0.00 C ATOM 65 CG GLN A 5 1.165 8.405 0.909 1.00 0.00 C ATOM 66 CD GLN A 5 2.623 8.341 0.447 1.00 0.00 C ATOM 67 OE1 GLN A 5 2.900 7.984 -0.681 1.00 0.00 O ATOM 68 NE2 GLN A 5 3.574 8.679 1.275 1.00 0.00 N ATOM 69 H GLN A 5 -1.809 7.468 -1.658 1.00 0.00 H ATOM 70 HA GLN A 5 0.303 9.498 -1.129 1.00 0.00 H ATOM 71 HB2 GLN A 5 -0.687 7.450 0.383 1.00 0.00 H ATOM 72 HB3 GLN A 5 0.748 6.687 -0.297 1.00 0.00 H ATOM 73 HG2 GLN A 5 0.843 9.437 0.947 1.00 0.00 H ATOM 74 HG3 GLN A 5 1.082 7.966 1.893 1.00 0.00 H ATOM 75 HE21 GLN A 5 3.350 8.969 2.184 1.00 0.00 H ATOM 76 HE22 GLN A 5 4.510 8.642 0.988 1.00 0.00 H ATOM 77 N CYS A 6 0.766 6.883 -3.142 1.00 0.00 N ATOM 78 CA CYS A 6 1.698 6.471 -4.239 1.00 0.00 C ATOM 79 C CYS A 6 1.380 7.201 -5.550 1.00 0.00 C ATOM 80 O CYS A 6 2.225 7.338 -6.383 1.00 0.00 O ATOM 81 CB CYS A 6 1.579 4.939 -4.396 1.00 0.00 C ATOM 82 SG CYS A 6 1.312 4.170 -2.792 1.00 0.00 S ATOM 83 H CYS A 6 -0.008 6.328 -2.914 1.00 0.00 H ATOM 84 HA CYS A 6 2.708 6.713 -3.952 1.00 0.00 H ATOM 85 HB2 CYS A 6 0.783 4.677 -5.068 1.00 0.00 H ATOM 86 HB3 CYS A 6 2.506 4.558 -4.798 1.00 0.00 H ATOM 87 N CYS A 7 0.207 7.706 -5.763 1.00 0.00 N ATOM 88 CA CYS A 7 -0.008 8.428 -7.056 1.00 0.00 C ATOM 89 C CYS A 7 0.472 9.867 -6.915 1.00 0.00 C ATOM 90 O CYS A 7 1.334 10.331 -7.634 1.00 0.00 O ATOM 91 CB CYS A 7 -1.506 8.423 -7.312 1.00 0.00 C ATOM 92 SG CYS A 7 -1.840 9.256 -8.889 1.00 0.00 S ATOM 93 H CYS A 7 -0.507 7.639 -5.093 1.00 0.00 H ATOM 94 HA CYS A 7 0.514 7.932 -7.862 1.00 0.00 H ATOM 95 HB2 CYS A 7 -1.874 7.419 -7.337 1.00 0.00 H ATOM 96 HB3 CYS A 7 -1.992 8.952 -6.523 1.00 0.00 H ATOM 97 N THR A 8 -0.098 10.568 -5.985 1.00 0.00 N ATOM 98 CA THR A 8 0.285 11.989 -5.757 1.00 0.00 C ATOM 99 C THR A 8 1.563 12.077 -4.912 1.00 0.00 C ATOM 100 O THR A 8 1.903 13.121 -4.390 1.00 0.00 O ATOM 101 CB THR A 8 -0.910 12.570 -5.002 1.00 0.00 C ATOM 102 OG1 THR A 8 -1.976 12.797 -5.913 1.00 0.00 O ATOM 103 CG2 THR A 8 -0.518 13.890 -4.332 1.00 0.00 C ATOM 104 H THR A 8 -0.795 10.156 -5.430 1.00 0.00 H ATOM 105 HA THR A 8 0.414 12.503 -6.697 1.00 0.00 H ATOM 106 HB THR A 8 -1.228 11.866 -4.246 1.00 0.00 H ATOM 107 HG1 THR A 8 -2.711 12.235 -5.657 1.00 0.00 H ATOM 108 HG21 THR A 8 0.087 14.472 -5.010 1.00 0.00 H ATOM 109 HG22 THR A 8 -1.411 14.444 -4.079 1.00 0.00 H ATOM 110 HG23 THR A 8 0.044 13.684 -3.433 1.00 0.00 H ATOM 111 N SER A 9 2.280 10.997 -4.772 1.00 0.00 N ATOM 112 CA SER A 9 3.529 11.040 -3.961 1.00 0.00 C ATOM 113 C SER A 9 4.236 9.683 -4.006 1.00 0.00 C ATOM 114 O SER A 9 3.846 8.793 -4.737 1.00 0.00 O ATOM 115 CB SER A 9 3.071 11.369 -2.539 1.00 0.00 C ATOM 116 OG SER A 9 4.199 11.381 -1.673 1.00 0.00 O ATOM 117 H SER A 9 2.002 10.160 -5.203 1.00 0.00 H ATOM 118 HA SER A 9 4.184 11.816 -4.324 1.00 0.00 H ATOM 119 HB2 SER A 9 2.604 12.339 -2.524 1.00 0.00 H ATOM 120 HB3 SER A 9 2.359 10.626 -2.209 1.00 0.00 H ATOM 121 HG SER A 9 4.096 12.115 -1.063 1.00 0.00 H ATOM 122 N ILE A 10 5.276 9.520 -3.239 1.00 0.00 N ATOM 123 CA ILE A 10 6.010 8.226 -3.245 1.00 0.00 C ATOM 124 C ILE A 10 5.747 7.456 -1.953 1.00 0.00 C ATOM 125 O ILE A 10 6.053 7.914 -0.869 1.00 0.00 O ATOM 126 CB ILE A 10 7.485 8.609 -3.334 1.00 0.00 C ATOM 127 CG1 ILE A 10 7.759 9.291 -4.676 1.00 0.00 C ATOM 128 CG2 ILE A 10 8.342 7.349 -3.217 1.00 0.00 C ATOM 129 CD1 ILE A 10 8.272 10.711 -4.432 1.00 0.00 C ATOM 130 H ILE A 10 5.578 10.248 -2.662 1.00 0.00 H ATOM 131 HA ILE A 10 5.731 7.635 -4.102 1.00 0.00 H ATOM 132 HB ILE A 10 7.727 9.282 -2.528 1.00 0.00 H ATOM 133 HG12 ILE A 10 8.504 8.728 -5.219 1.00 0.00 H ATOM 134 HG13 ILE A 10 6.847 9.334 -5.253 1.00 0.00 H ATOM 135 HG21 ILE A 10 7.750 6.485 -3.480 1.00 0.00 H ATOM 136 HG22 ILE A 10 9.185 7.425 -3.888 1.00 0.00 H ATOM 137 HG23 ILE A 10 8.697 7.248 -2.203 1.00 0.00 H ATOM 138 HD11 ILE A 10 8.410 10.867 -3.373 1.00 0.00 H ATOM 139 HD12 ILE A 10 9.215 10.845 -4.941 1.00 0.00 H ATOM 140 HD13 ILE A 10 7.555 11.425 -4.810 1.00 0.00 H ATOM 141 N CYS A 11 5.199 6.283 -2.061 1.00 0.00 N ATOM 142 CA CYS A 11 4.935 5.471 -0.834 1.00 0.00 C ATOM 143 C CYS A 11 5.902 4.274 -0.828 1.00 0.00 C ATOM 144 O CYS A 11 6.466 3.931 -1.847 1.00 0.00 O ATOM 145 CB CYS A 11 3.452 5.072 -0.926 1.00 0.00 C ATOM 146 SG CYS A 11 3.199 3.817 -2.195 1.00 0.00 S ATOM 147 H CYS A 11 4.977 5.931 -2.947 1.00 0.00 H ATOM 148 HA CYS A 11 5.098 6.076 0.046 1.00 0.00 H ATOM 149 HB2 CYS A 11 3.106 4.694 0.016 1.00 0.00 H ATOM 150 HB3 CYS A 11 2.873 5.946 -1.176 1.00 0.00 H ATOM 151 N SER A 12 6.160 3.673 0.308 1.00 0.00 N ATOM 152 CA SER A 12 7.163 2.557 0.330 1.00 0.00 C ATOM 153 C SER A 12 6.548 1.168 0.408 1.00 0.00 C ATOM 154 O SER A 12 5.356 0.973 0.274 1.00 0.00 O ATOM 155 CB SER A 12 8.012 2.799 1.573 1.00 0.00 C ATOM 156 OG SER A 12 7.331 3.689 2.448 1.00 0.00 O ATOM 157 H SER A 12 5.737 3.979 1.141 1.00 0.00 H ATOM 158 HA SER A 12 7.797 2.623 -0.539 1.00 0.00 H ATOM 159 HB2 SER A 12 8.175 1.862 2.082 1.00 0.00 H ATOM 160 HB3 SER A 12 8.964 3.207 1.280 1.00 0.00 H ATOM 161 HG SER A 12 7.431 3.359 3.344 1.00 0.00 H ATOM 162 N LEU A 13 7.400 0.196 0.621 1.00 0.00 N ATOM 163 CA LEU A 13 6.935 -1.222 0.707 1.00 0.00 C ATOM 164 C LEU A 13 6.195 -1.470 2.019 1.00 0.00 C ATOM 165 O LEU A 13 5.436 -2.410 2.146 1.00 0.00 O ATOM 166 CB LEU A 13 8.195 -2.101 0.598 1.00 0.00 C ATOM 167 CG LEU A 13 9.239 -1.732 1.661 1.00 0.00 C ATOM 168 CD1 LEU A 13 8.720 -2.092 3.056 1.00 0.00 C ATOM 169 CD2 LEU A 13 10.523 -2.517 1.386 1.00 0.00 C ATOM 170 H LEU A 13 8.353 0.411 0.715 1.00 0.00 H ATOM 171 HA LEU A 13 6.281 -1.436 -0.119 1.00 0.00 H ATOM 172 HB2 LEU A 13 7.914 -3.137 0.727 1.00 0.00 H ATOM 173 HB3 LEU A 13 8.629 -1.975 -0.383 1.00 0.00 H ATOM 174 HG LEU A 13 9.454 -0.676 1.615 1.00 0.00 H ATOM 175 HD11 LEU A 13 7.876 -2.759 2.967 1.00 0.00 H ATOM 176 HD12 LEU A 13 9.506 -2.580 3.616 1.00 0.00 H ATOM 177 HD13 LEU A 13 8.418 -1.193 3.571 1.00 0.00 H ATOM 178 HD21 LEU A 13 10.615 -2.695 0.325 1.00 0.00 H ATOM 179 HD22 LEU A 13 11.375 -1.947 1.729 1.00 0.00 H ATOM 180 HD23 LEU A 13 10.487 -3.461 1.908 1.00 0.00 H ATOM 181 N TYR A 14 6.379 -0.621 2.988 1.00 0.00 N ATOM 182 CA TYR A 14 5.650 -0.803 4.267 1.00 0.00 C ATOM 183 C TYR A 14 4.339 -0.039 4.163 1.00 0.00 C ATOM 184 O TYR A 14 3.343 -0.383 4.768 1.00 0.00 O ATOM 185 CB TYR A 14 6.547 -0.210 5.349 1.00 0.00 C ATOM 186 CG TYR A 14 5.986 -0.568 6.705 1.00 0.00 C ATOM 187 CD1 TYR A 14 4.814 0.051 7.162 1.00 0.00 C ATOM 188 CD2 TYR A 14 6.635 -1.518 7.505 1.00 0.00 C ATOM 189 CE1 TYR A 14 4.295 -0.277 8.420 1.00 0.00 C ATOM 190 CE2 TYR A 14 6.114 -1.847 8.763 1.00 0.00 C ATOM 191 CZ TYR A 14 4.944 -1.226 9.221 1.00 0.00 C ATOM 192 OH TYR A 14 4.431 -1.548 10.460 1.00 0.00 O ATOM 193 H TYR A 14 6.968 0.148 2.863 1.00 0.00 H ATOM 194 HA TYR A 14 5.472 -1.849 4.459 1.00 0.00 H ATOM 195 HB2 TYR A 14 7.544 -0.615 5.253 1.00 0.00 H ATOM 196 HB3 TYR A 14 6.580 0.864 5.245 1.00 0.00 H ATOM 197 HD1 TYR A 14 4.312 0.781 6.542 1.00 0.00 H ATOM 198 HD2 TYR A 14 7.536 -2.000 7.151 1.00 0.00 H ATOM 199 HE1 TYR A 14 3.393 0.201 8.773 1.00 0.00 H ATOM 200 HE2 TYR A 14 6.614 -2.578 9.381 1.00 0.00 H ATOM 201 HH TYR A 14 3.923 -2.358 10.369 1.00 0.00 H ATOM 202 N GLN A 15 4.338 0.989 3.360 1.00 0.00 N ATOM 203 CA GLN A 15 3.104 1.783 3.156 1.00 0.00 C ATOM 204 C GLN A 15 2.123 0.945 2.328 1.00 0.00 C ATOM 205 O GLN A 15 0.948 0.868 2.630 1.00 0.00 O ATOM 206 CB GLN A 15 3.579 3.038 2.414 1.00 0.00 C ATOM 207 CG GLN A 15 3.380 4.260 3.314 1.00 0.00 C ATOM 208 CD GLN A 15 3.948 5.502 2.626 1.00 0.00 C ATOM 209 OE1 GLN A 15 3.289 6.113 1.808 1.00 0.00 O ATOM 210 NE2 GLN A 15 5.153 5.905 2.927 1.00 0.00 N ATOM 211 H GLN A 15 5.154 1.222 2.870 1.00 0.00 H ATOM 212 HA GLN A 15 2.666 2.052 4.106 1.00 0.00 H ATOM 213 HB2 GLN A 15 4.627 2.934 2.178 1.00 0.00 H ATOM 214 HB3 GLN A 15 3.019 3.169 1.503 1.00 0.00 H ATOM 215 HG2 GLN A 15 2.327 4.400 3.503 1.00 0.00 H ATOM 216 HG3 GLN A 15 3.896 4.104 4.250 1.00 0.00 H ATOM 217 HE21 GLN A 15 5.684 5.412 3.587 1.00 0.00 H ATOM 218 HE22 GLN A 15 5.526 6.700 2.492 1.00 0.00 H ATOM 219 N LEU A 16 2.611 0.263 1.319 1.00 0.00 N ATOM 220 CA LEU A 16 1.713 -0.619 0.517 1.00 0.00 C ATOM 221 C LEU A 16 1.394 -1.855 1.361 1.00 0.00 C ATOM 222 O LEU A 16 0.413 -2.543 1.153 1.00 0.00 O ATOM 223 CB LEU A 16 2.537 -1.011 -0.713 1.00 0.00 C ATOM 224 CG LEU A 16 1.902 -0.448 -1.986 1.00 0.00 C ATOM 225 CD1 LEU A 16 0.421 -0.831 -2.050 1.00 0.00 C ATOM 226 CD2 LEU A 16 2.040 1.072 -1.983 1.00 0.00 C ATOM 227 H LEU A 16 3.570 0.298 1.117 1.00 0.00 H ATOM 228 HA LEU A 16 0.815 -0.101 0.228 1.00 0.00 H ATOM 229 HB2 LEU A 16 3.533 -0.614 -0.611 1.00 0.00 H ATOM 230 HB3 LEU A 16 2.586 -2.088 -0.784 1.00 0.00 H ATOM 231 HG LEU A 16 2.413 -0.854 -2.848 1.00 0.00 H ATOM 232 HD11 LEU A 16 0.285 -1.816 -1.627 1.00 0.00 H ATOM 233 HD12 LEU A 16 -0.162 -0.115 -1.491 1.00 0.00 H ATOM 234 HD13 LEU A 16 0.095 -0.835 -3.081 1.00 0.00 H ATOM 235 HD21 LEU A 16 3.085 1.335 -1.931 1.00 0.00 H ATOM 236 HD22 LEU A 16 1.612 1.473 -2.889 1.00 0.00 H ATOM 237 HD23 LEU A 16 1.521 1.478 -1.127 1.00 0.00 H ATOM 238 N GLU A 17 2.237 -2.122 2.322 1.00 0.00 N ATOM 239 CA GLU A 17 2.044 -3.295 3.220 1.00 0.00 C ATOM 240 C GLU A 17 0.707 -3.206 3.941 1.00 0.00 C ATOM 241 O GLU A 17 0.110 -4.205 4.294 1.00 0.00 O ATOM 242 CB GLU A 17 3.170 -3.162 4.233 1.00 0.00 C ATOM 243 CG GLU A 17 3.690 -4.543 4.630 1.00 0.00 C ATOM 244 CD GLU A 17 2.511 -5.485 4.892 1.00 0.00 C ATOM 245 OE1 GLU A 17 1.783 -5.243 5.840 1.00 0.00 O ATOM 246 OE2 GLU A 17 2.359 -6.433 4.139 1.00 0.00 O ATOM 247 H GLU A 17 3.014 -1.540 2.455 1.00 0.00 H ATOM 248 HA GLU A 17 2.135 -4.221 2.678 1.00 0.00 H ATOM 249 HB2 GLU A 17 3.966 -2.587 3.795 1.00 0.00 H ATOM 250 HB3 GLU A 17 2.803 -2.655 5.111 1.00 0.00 H ATOM 251 HG2 GLU A 17 4.303 -4.941 3.834 1.00 0.00 H ATOM 252 HG3 GLU A 17 4.279 -4.449 5.529 1.00 0.00 H ATOM 253 N ASN A 18 0.231 -2.019 4.171 1.00 0.00 N ATOM 254 CA ASN A 18 -1.069 -1.859 4.889 1.00 0.00 C ATOM 255 C ASN A 18 -2.257 -2.319 4.025 1.00 0.00 C ATOM 256 O ASN A 18 -3.365 -1.850 4.199 1.00 0.00 O ATOM 257 CB ASN A 18 -1.170 -0.361 5.180 1.00 0.00 C ATOM 258 CG ASN A 18 -0.813 -0.100 6.645 1.00 0.00 C ATOM 259 OD1 ASN A 18 -1.320 -0.758 7.533 1.00 0.00 O ATOM 260 ND2 ASN A 18 0.044 0.840 6.939 1.00 0.00 N ATOM 261 H ASN A 18 0.738 -1.230 3.884 1.00 0.00 H ATOM 262 HA ASN A 18 -1.051 -2.408 5.816 1.00 0.00 H ATOM 263 HB2 ASN A 18 -0.483 0.176 4.540 1.00 0.00 H ATOM 264 HB3 ASN A 18 -2.177 -0.025 4.991 1.00 0.00 H ATOM 265 HD21 ASN A 18 0.453 1.371 6.223 1.00 0.00 H ATOM 266 HD22 ASN A 18 0.281 1.014 7.874 1.00 0.00 H ATOM 267 N TYR A 19 -2.054 -3.223 3.099 1.00 0.00 N ATOM 268 CA TYR A 19 -3.195 -3.678 2.255 1.00 0.00 C ATOM 269 C TYR A 19 -3.042 -5.159 1.854 1.00 0.00 C ATOM 270 O TYR A 19 -3.923 -5.729 1.246 1.00 0.00 O ATOM 271 CB TYR A 19 -3.159 -2.749 1.037 1.00 0.00 C ATOM 272 CG TYR A 19 -3.249 -1.322 1.528 1.00 0.00 C ATOM 273 CD1 TYR A 19 -4.501 -0.725 1.729 1.00 0.00 C ATOM 274 CD2 TYR A 19 -2.079 -0.605 1.816 1.00 0.00 C ATOM 275 CE1 TYR A 19 -4.583 0.585 2.214 1.00 0.00 C ATOM 276 CE2 TYR A 19 -2.161 0.702 2.310 1.00 0.00 C ATOM 277 CZ TYR A 19 -3.414 1.298 2.512 1.00 0.00 C ATOM 278 OH TYR A 19 -3.496 2.587 3.000 1.00 0.00 O ATOM 279 H TYR A 19 -1.167 -3.594 2.958 1.00 0.00 H ATOM 280 HA TYR A 19 -4.122 -3.536 2.786 1.00 0.00 H ATOM 281 HB2 TYR A 19 -2.235 -2.893 0.496 1.00 0.00 H ATOM 282 HB3 TYR A 19 -3.996 -2.964 0.390 1.00 0.00 H ATOM 283 HD1 TYR A 19 -5.404 -1.269 1.497 1.00 0.00 H ATOM 284 HD2 TYR A 19 -1.113 -1.060 1.661 1.00 0.00 H ATOM 285 HE1 TYR A 19 -5.549 1.046 2.362 1.00 0.00 H ATOM 286 HE2 TYR A 19 -1.259 1.253 2.524 1.00 0.00 H ATOM 287 HH TYR A 19 -2.796 3.104 2.596 1.00 0.00 H ATOM 288 N CYS A 20 -1.951 -5.798 2.206 1.00 0.00 N ATOM 289 CA CYS A 20 -1.786 -7.241 1.857 1.00 0.00 C ATOM 290 C CYS A 20 -2.355 -8.112 2.982 1.00 0.00 C ATOM 291 O CYS A 20 -1.766 -8.236 4.037 1.00 0.00 O ATOM 292 CB CYS A 20 -0.274 -7.457 1.736 1.00 0.00 C ATOM 293 SG CYS A 20 0.458 -6.154 0.728 1.00 0.00 S ATOM 294 H CYS A 20 -1.254 -5.342 2.711 1.00 0.00 H ATOM 295 HA CYS A 20 -2.271 -7.464 0.918 1.00 0.00 H ATOM 296 HB2 CYS A 20 0.169 -7.429 2.714 1.00 0.00 H ATOM 297 HB3 CYS A 20 -0.077 -8.413 1.281 1.00 0.00 H ATOM 298 N ASN A 21 -3.497 -8.714 2.774 1.00 0.00 N ATOM 299 CA ASN A 21 -4.093 -9.569 3.845 1.00 0.00 C ATOM 300 C ASN A 21 -3.011 -10.435 4.494 1.00 0.00 C ATOM 301 O ASN A 21 -2.463 -11.279 3.806 1.00 0.00 O ATOM 302 CB ASN A 21 -5.121 -10.446 3.131 1.00 0.00 C ATOM 303 CG ASN A 21 -6.264 -10.785 4.092 1.00 0.00 C ATOM 304 OD1 ASN A 21 -6.304 -10.298 5.205 1.00 0.00 O ATOM 305 ND2 ASN A 21 -7.202 -11.607 3.705 1.00 0.00 N ATOM 306 OXT ASN A 21 -2.749 -10.239 5.670 1.00 0.00 O ATOM 307 H ASN A 21 -3.963 -8.601 1.919 1.00 0.00 H ATOM 308 HA ASN A 21 -4.582 -8.957 4.587 1.00 0.00 H ATOM 309 HB2 ASN A 21 -5.514 -9.917 2.277 1.00 0.00 H ATOM 310 HB3 ASN A 21 -4.646 -11.359 2.803 1.00 0.00 H ATOM 311 HD21 ASN A 21 -7.170 -12.000 2.808 1.00 0.00 H ATOM 312 HD22 ASN A 21 -7.937 -11.832 4.312 1.00 0.00 H TER 313 ASN A 21 ATOM 314 N PHE B 1 8.896 -3.289 -7.429 1.00 0.00 N ATOM 315 CA PHE B 1 8.848 -2.313 -6.302 1.00 0.00 C ATOM 316 C PHE B 1 9.900 -1.216 -6.500 1.00 0.00 C ATOM 317 O PHE B 1 11.041 -1.489 -6.814 1.00 0.00 O ATOM 318 CB PHE B 1 9.159 -3.138 -5.053 1.00 0.00 C ATOM 319 CG PHE B 1 9.451 -2.208 -3.900 1.00 0.00 C ATOM 320 CD1 PHE B 1 8.605 -1.120 -3.648 1.00 0.00 C ATOM 321 CD2 PHE B 1 10.568 -2.433 -3.084 1.00 0.00 C ATOM 322 CE1 PHE B 1 8.877 -0.255 -2.579 1.00 0.00 C ATOM 323 CE2 PHE B 1 10.839 -1.568 -2.016 1.00 0.00 C ATOM 324 CZ PHE B 1 9.994 -0.479 -1.762 1.00 0.00 C ATOM 325 H1 PHE B 1 9.071 -2.782 -8.320 1.00 0.00 H ATOM 326 H2 PHE B 1 9.662 -3.972 -7.265 1.00 0.00 H ATOM 327 H3 PHE B 1 7.988 -3.794 -7.489 1.00 0.00 H ATOM 328 HA PHE B 1 7.863 -1.880 -6.220 1.00 0.00 H ATOM 329 HB2 PHE B 1 8.308 -3.758 -4.811 1.00 0.00 H ATOM 330 HB3 PHE B 1 10.020 -3.763 -5.239 1.00 0.00 H ATOM 331 HD1 PHE B 1 7.745 -0.948 -4.277 1.00 0.00 H ATOM 332 HD2 PHE B 1 11.220 -3.271 -3.278 1.00 0.00 H ATOM 333 HE1 PHE B 1 8.225 0.584 -2.385 1.00 0.00 H ATOM 334 HE2 PHE B 1 11.699 -1.740 -1.386 1.00 0.00 H ATOM 335 HZ PHE B 1 10.204 0.187 -0.940 1.00 0.00 H ATOM 336 N VAL B 2 9.523 0.023 -6.319 1.00 0.00 N ATOM 337 CA VAL B 2 10.504 1.133 -6.500 1.00 0.00 C ATOM 338 C VAL B 2 10.052 2.381 -5.732 1.00 0.00 C ATOM 339 O VAL B 2 8.888 2.732 -5.730 1.00 0.00 O ATOM 340 CB VAL B 2 10.514 1.406 -8.005 1.00 0.00 C ATOM 341 CG1 VAL B 2 11.258 0.280 -8.725 1.00 0.00 C ATOM 342 CG2 VAL B 2 9.074 1.473 -8.520 1.00 0.00 C ATOM 343 H VAL B 2 8.598 0.222 -6.066 1.00 0.00 H ATOM 344 HA VAL B 2 11.486 0.826 -6.176 1.00 0.00 H ATOM 345 HB VAL B 2 11.012 2.346 -8.196 1.00 0.00 H ATOM 346 HG11 VAL B 2 12.033 -0.110 -8.082 1.00 0.00 H ATOM 347 HG12 VAL B 2 10.564 -0.510 -8.971 1.00 0.00 H ATOM 348 HG13 VAL B 2 11.702 0.663 -9.632 1.00 0.00 H ATOM 349 HG21 VAL B 2 8.496 2.133 -7.889 1.00 0.00 H ATOM 350 HG22 VAL B 2 9.072 1.848 -9.533 1.00 0.00 H ATOM 351 HG23 VAL B 2 8.640 0.484 -8.501 1.00 0.00 H ATOM 352 N ASN B 3 10.965 3.058 -5.084 1.00 0.00 N ATOM 353 CA ASN B 3 10.588 4.288 -4.324 1.00 0.00 C ATOM 354 C ASN B 3 10.069 5.355 -5.290 1.00 0.00 C ATOM 355 O ASN B 3 10.819 6.174 -5.784 1.00 0.00 O ATOM 356 CB ASN B 3 11.883 4.753 -3.656 1.00 0.00 C ATOM 357 CG ASN B 3 11.577 5.899 -2.691 1.00 0.00 C ATOM 358 OD1 ASN B 3 10.811 5.739 -1.763 1.00 0.00 O ATOM 359 ND2 ASN B 3 12.150 7.058 -2.872 1.00 0.00 N ATOM 360 H ASN B 3 11.898 2.762 -5.102 1.00 0.00 H ATOM 361 HA ASN B 3 9.846 4.059 -3.575 1.00 0.00 H ATOM 362 HB2 ASN B 3 12.324 3.930 -3.112 1.00 0.00 H ATOM 363 HB3 ASN B 3 12.574 5.097 -4.412 1.00 0.00 H ATOM 364 HD21 ASN B 3 12.769 7.188 -3.621 1.00 0.00 H ATOM 365 HD22 ASN B 3 11.960 7.800 -2.260 1.00 0.00 H ATOM 366 N GLN B 4 8.796 5.343 -5.575 1.00 0.00 N ATOM 367 CA GLN B 4 8.235 6.344 -6.522 1.00 0.00 C ATOM 368 C GLN B 4 6.713 6.450 -6.323 1.00 0.00 C ATOM 369 O GLN B 4 6.172 5.970 -5.335 1.00 0.00 O ATOM 370 CB GLN B 4 8.585 5.773 -7.906 1.00 0.00 C ATOM 371 CG GLN B 4 8.444 6.858 -8.979 1.00 0.00 C ATOM 372 CD GLN B 4 9.515 6.659 -10.054 1.00 0.00 C ATOM 373 OE1 GLN B 4 9.213 6.640 -11.231 1.00 0.00 O ATOM 374 NE2 GLN B 4 10.760 6.514 -9.697 1.00 0.00 N ATOM 375 H GLN B 4 8.211 4.667 -5.176 1.00 0.00 H ATOM 376 HA GLN B 4 8.706 7.304 -6.386 1.00 0.00 H ATOM 377 HB2 GLN B 4 9.606 5.419 -7.894 1.00 0.00 H ATOM 378 HB3 GLN B 4 7.926 4.948 -8.136 1.00 0.00 H ATOM 379 HG2 GLN B 4 7.466 6.792 -9.430 1.00 0.00 H ATOM 380 HG3 GLN B 4 8.566 7.831 -8.525 1.00 0.00 H ATOM 381 HE21 GLN B 4 11.003 6.532 -8.748 1.00 0.00 H ATOM 382 HE22 GLN B 4 11.454 6.387 -10.377 1.00 0.00 H ATOM 383 N HIS B 5 6.015 7.065 -7.244 1.00 0.00 N ATOM 384 CA HIS B 5 4.537 7.173 -7.101 1.00 0.00 C ATOM 385 C HIS B 5 3.881 6.002 -7.857 1.00 0.00 C ATOM 386 O HIS B 5 4.233 5.711 -8.983 1.00 0.00 O ATOM 387 CB HIS B 5 4.116 8.525 -7.716 1.00 0.00 C ATOM 388 CG HIS B 5 5.230 9.543 -7.630 1.00 0.00 C ATOM 389 ND1 HIS B 5 5.194 10.593 -6.726 1.00 0.00 N ATOM 390 CD2 HIS B 5 6.391 9.708 -8.345 1.00 0.00 C ATOM 391 CE1 HIS B 5 6.297 11.338 -6.921 1.00 0.00 C ATOM 392 NE2 HIS B 5 7.063 10.842 -7.896 1.00 0.00 N ATOM 393 H HIS B 5 6.455 7.441 -8.025 1.00 0.00 H ATOM 394 HA HIS B 5 4.267 7.141 -6.057 1.00 0.00 H ATOM 395 HB2 HIS B 5 3.843 8.381 -8.746 1.00 0.00 H ATOM 396 HB3 HIS B 5 3.259 8.904 -7.180 1.00 0.00 H ATOM 397 HD1 HIS B 5 4.491 10.763 -6.065 1.00 0.00 H ATOM 398 HD2 HIS B 5 6.734 9.056 -9.134 1.00 0.00 H ATOM 399 HE1 HIS B 5 6.529 12.234 -6.364 1.00 0.00 H ATOM 400 N LEU B 6 2.969 5.296 -7.233 1.00 0.00 N ATOM 401 CA LEU B 6 2.348 4.113 -7.908 1.00 0.00 C ATOM 402 C LEU B 6 0.906 4.322 -8.380 1.00 0.00 C ATOM 403 O LEU B 6 0.172 3.367 -8.487 1.00 0.00 O ATOM 404 CB LEU B 6 2.341 3.023 -6.838 1.00 0.00 C ATOM 405 CG LEU B 6 3.755 2.747 -6.347 1.00 0.00 C ATOM 406 CD1 LEU B 6 3.690 1.999 -5.015 1.00 0.00 C ATOM 407 CD2 LEU B 6 4.466 1.880 -7.370 1.00 0.00 C ATOM 408 H LEU B 6 2.733 5.516 -6.313 1.00 0.00 H ATOM 409 HA LEU B 6 2.952 3.818 -8.728 1.00 0.00 H ATOM 410 HB2 LEU B 6 1.734 3.343 -6.010 1.00 0.00 H ATOM 411 HB3 LEU B 6 1.922 2.122 -7.249 1.00 0.00 H ATOM 412 HG LEU B 6 4.286 3.678 -6.221 1.00 0.00 H ATOM 413 HD11 LEU B 6 2.908 2.422 -4.402 1.00 0.00 H ATOM 414 HD12 LEU B 6 3.477 0.956 -5.200 1.00 0.00 H ATOM 415 HD13 LEU B 6 4.637 2.088 -4.505 1.00 0.00 H ATOM 416 HD21 LEU B 6 3.735 1.453 -8.042 1.00 0.00 H ATOM 417 HD22 LEU B 6 5.164 2.484 -7.926 1.00 0.00 H ATOM 418 HD23 LEU B 6 4.993 1.089 -6.862 1.00 0.00 H ATOM 419 N CYS B 7 0.493 5.516 -8.668 1.00 0.00 N ATOM 420 CA CYS B 7 -0.924 5.740 -9.121 1.00 0.00 C ATOM 421 C CYS B 7 -1.622 4.448 -9.587 1.00 0.00 C ATOM 422 O CYS B 7 -1.116 3.691 -10.394 1.00 0.00 O ATOM 423 CB CYS B 7 -0.854 6.768 -10.242 1.00 0.00 C ATOM 424 SG CYS B 7 -2.342 7.783 -10.172 1.00 0.00 S ATOM 425 H CYS B 7 1.103 6.271 -8.581 1.00 0.00 H ATOM 426 HA CYS B 7 -1.486 6.152 -8.310 1.00 0.00 H ATOM 427 HB2 CYS B 7 0.013 7.396 -10.104 1.00 0.00 H ATOM 428 HB3 CYS B 7 -0.800 6.272 -11.196 1.00 0.00 H ATOM 429 N GLY B 8 -2.781 4.217 -9.028 1.00 0.00 N ATOM 430 CA GLY B 8 -3.625 3.010 -9.316 1.00 0.00 C ATOM 431 C GLY B 8 -2.972 1.976 -10.254 1.00 0.00 C ATOM 432 O GLY B 8 -2.716 0.862 -9.844 1.00 0.00 O ATOM 433 H GLY B 8 -3.114 4.866 -8.372 1.00 0.00 H ATOM 434 HA2 GLY B 8 -3.827 2.519 -8.379 1.00 0.00 H ATOM 435 HA3 GLY B 8 -4.564 3.332 -9.734 1.00 0.00 H ATOM 436 N SER B 9 -2.734 2.282 -11.509 1.00 0.00 N ATOM 437 CA SER B 9 -2.154 1.240 -12.402 1.00 0.00 C ATOM 438 C SER B 9 -0.802 0.771 -11.885 1.00 0.00 C ATOM 439 O SER B 9 -0.433 -0.385 -12.021 1.00 0.00 O ATOM 440 CB SER B 9 -2.012 1.906 -13.770 1.00 0.00 C ATOM 441 OG SER B 9 -2.580 1.061 -14.761 1.00 0.00 O ATOM 442 H SER B 9 -2.956 3.165 -11.872 1.00 0.00 H ATOM 443 HA SER B 9 -2.826 0.408 -12.469 1.00 0.00 H ATOM 444 HB2 SER B 9 -2.530 2.851 -13.770 1.00 0.00 H ATOM 445 HB3 SER B 9 -0.963 2.072 -13.983 1.00 0.00 H ATOM 446 HG SER B 9 -1.872 0.758 -15.335 1.00 0.00 H ATOM 447 N HIS B 10 -0.073 1.633 -11.257 1.00 0.00 N ATOM 448 CA HIS B 10 1.236 1.201 -10.724 1.00 0.00 C ATOM 449 C HIS B 10 0.972 0.504 -9.410 1.00 0.00 C ATOM 450 O HIS B 10 1.571 -0.501 -9.080 1.00 0.00 O ATOM 451 CB HIS B 10 2.035 2.483 -10.536 1.00 0.00 C ATOM 452 CG HIS B 10 2.854 2.753 -11.767 1.00 0.00 C ATOM 453 ND1 HIS B 10 2.298 2.759 -13.036 1.00 0.00 N ATOM 454 CD2 HIS B 10 4.185 3.039 -11.940 1.00 0.00 C ATOM 455 CE1 HIS B 10 3.281 3.042 -13.908 1.00 0.00 C ATOM 456 NE2 HIS B 10 4.454 3.222 -13.293 1.00 0.00 N ATOM 457 H HIS B 10 -0.402 2.548 -11.102 1.00 0.00 H ATOM 458 HA HIS B 10 1.733 0.540 -11.418 1.00 0.00 H ATOM 459 HB2 HIS B 10 1.359 3.304 -10.372 1.00 0.00 H ATOM 460 HB3 HIS B 10 2.686 2.374 -9.689 1.00 0.00 H ATOM 461 HD1 HIS B 10 1.358 2.587 -13.257 1.00 0.00 H ATOM 462 HD2 HIS B 10 4.914 3.112 -11.145 1.00 0.00 H ATOM 463 HE1 HIS B 10 3.140 3.116 -14.976 1.00 0.00 H ATOM 464 N LEU B 11 0.046 1.025 -8.668 1.00 0.00 N ATOM 465 CA LEU B 11 -0.303 0.391 -7.381 1.00 0.00 C ATOM 466 C LEU B 11 -0.911 -0.967 -7.629 1.00 0.00 C ATOM 467 O LEU B 11 -0.461 -1.954 -7.094 1.00 0.00 O ATOM 468 CB LEU B 11 -1.349 1.280 -6.738 1.00 0.00 C ATOM 469 CG LEU B 11 -0.644 2.325 -5.887 1.00 0.00 C ATOM 470 CD1 LEU B 11 -1.677 3.213 -5.200 1.00 0.00 C ATOM 471 CD2 LEU B 11 0.185 1.597 -4.837 1.00 0.00 C ATOM 472 H LEU B 11 -0.430 1.831 -8.970 1.00 0.00 H ATOM 473 HA LEU B 11 0.567 0.315 -6.748 1.00 0.00 H ATOM 474 HB2 LEU B 11 -1.944 1.746 -7.503 1.00 0.00 H ATOM 475 HB3 LEU B 11 -1.986 0.681 -6.102 1.00 0.00 H ATOM 476 HG LEU B 11 0.000 2.927 -6.503 1.00 0.00 H ATOM 477 HD11 LEU B 11 -2.558 2.632 -4.978 1.00 0.00 H ATOM 478 HD12 LEU B 11 -1.261 3.604 -4.284 1.00 0.00 H ATOM 479 HD13 LEU B 11 -1.939 4.029 -5.855 1.00 0.00 H ATOM 480 HD21 LEU B 11 -0.359 0.733 -4.486 1.00 0.00 H ATOM 481 HD22 LEU B 11 1.121 1.280 -5.273 1.00 0.00 H ATOM 482 HD23 LEU B 11 0.377 2.258 -4.015 1.00 0.00 H ATOM 483 N VAL B 12 -1.938 -1.049 -8.434 1.00 0.00 N ATOM 484 CA VAL B 12 -2.526 -2.369 -8.650 1.00 0.00 C ATOM 485 C VAL B 12 -1.409 -3.328 -9.053 1.00 0.00 C ATOM 486 O VAL B 12 -1.503 -4.518 -8.854 1.00 0.00 O ATOM 487 CB VAL B 12 -3.573 -2.178 -9.743 1.00 0.00 C ATOM 488 CG1 VAL B 12 -3.696 -3.444 -10.584 1.00 0.00 C ATOM 489 CG2 VAL B 12 -4.925 -1.864 -9.101 1.00 0.00 C ATOM 490 H VAL B 12 -2.315 -0.257 -8.886 1.00 0.00 H ATOM 491 HA VAL B 12 -2.992 -2.691 -7.740 1.00 0.00 H ATOM 492 HB VAL B 12 -3.279 -1.361 -10.369 1.00 0.00 H ATOM 493 HG11 VAL B 12 -3.541 -4.308 -9.954 1.00 0.00 H ATOM 494 HG12 VAL B 12 -4.679 -3.488 -11.024 1.00 0.00 H ATOM 495 HG13 VAL B 12 -2.951 -3.429 -11.364 1.00 0.00 H ATOM 496 HG21 VAL B 12 -5.144 -2.602 -8.343 1.00 0.00 H ATOM 497 HG22 VAL B 12 -4.891 -0.884 -8.650 1.00 0.00 H ATOM 498 HG23 VAL B 12 -5.696 -1.886 -9.858 1.00 0.00 H ATOM 499 N GLU B 13 -0.337 -2.809 -9.597 1.00 0.00 N ATOM 500 CA GLU B 13 0.795 -3.699 -9.980 1.00 0.00 C ATOM 501 C GLU B 13 1.847 -3.729 -8.862 1.00 0.00 C ATOM 502 O GLU B 13 2.670 -4.624 -8.796 1.00 0.00 O ATOM 503 CB GLU B 13 1.378 -3.088 -11.256 1.00 0.00 C ATOM 504 CG GLU B 13 1.586 -4.189 -12.298 1.00 0.00 C ATOM 505 CD GLU B 13 1.764 -3.557 -13.681 1.00 0.00 C ATOM 506 OE1 GLU B 13 2.623 -2.702 -13.814 1.00 0.00 O ATOM 507 OE2 GLU B 13 1.037 -3.941 -14.584 1.00 0.00 O ATOM 508 H GLU B 13 -0.272 -1.838 -9.738 1.00 0.00 H ATOM 509 HA GLU B 13 0.435 -4.693 -10.175 1.00 0.00 H ATOM 510 HB2 GLU B 13 0.696 -2.346 -11.644 1.00 0.00 H ATOM 511 HB3 GLU B 13 2.327 -2.625 -11.031 1.00 0.00 H ATOM 512 HG2 GLU B 13 2.469 -4.759 -12.047 1.00 0.00 H ATOM 513 HG3 GLU B 13 0.726 -4.841 -12.310 1.00 0.00 H ATOM 514 N ALA B 14 1.810 -2.783 -7.958 1.00 0.00 N ATOM 515 CA ALA B 14 2.796 -2.789 -6.843 1.00 0.00 C ATOM 516 C ALA B 14 2.124 -3.384 -5.624 1.00 0.00 C ATOM 517 O ALA B 14 2.763 -3.844 -4.700 1.00 0.00 O ATOM 518 CB ALA B 14 3.154 -1.321 -6.591 1.00 0.00 C ATOM 519 H ALA B 14 1.113 -2.090 -7.992 1.00 0.00 H ATOM 520 HA ALA B 14 3.674 -3.356 -7.113 1.00 0.00 H ATOM 521 HB1 ALA B 14 2.255 -0.763 -6.372 1.00 0.00 H ATOM 522 HB2 ALA B 14 3.830 -1.255 -5.749 1.00 0.00 H ATOM 523 HB3 ALA B 14 3.630 -0.908 -7.468 1.00 0.00 H ATOM 524 N LEU B 15 0.826 -3.378 -5.629 1.00 0.00 N ATOM 525 CA LEU B 15 0.075 -3.939 -4.496 1.00 0.00 C ATOM 526 C LEU B 15 -0.183 -5.422 -4.776 1.00 0.00 C ATOM 527 O LEU B 15 -0.265 -6.228 -3.871 1.00 0.00 O ATOM 528 CB LEU B 15 -1.185 -3.082 -4.481 1.00 0.00 C ATOM 529 CG LEU B 15 -2.390 -3.853 -3.946 1.00 0.00 C ATOM 530 CD1 LEU B 15 -1.982 -4.678 -2.729 1.00 0.00 C ATOM 531 CD2 LEU B 15 -3.482 -2.862 -3.536 1.00 0.00 C ATOM 532 H LEU B 15 0.334 -3.001 -6.398 1.00 0.00 H ATOM 533 HA LEU B 15 0.628 -3.816 -3.578 1.00 0.00 H ATOM 534 HB2 LEU B 15 -1.008 -2.211 -3.885 1.00 0.00 H ATOM 535 HB3 LEU B 15 -1.384 -2.767 -5.471 1.00 0.00 H ATOM 536 HG LEU B 15 -2.769 -4.504 -4.723 1.00 0.00 H ATOM 537 HD11 LEU B 15 -0.958 -4.457 -2.469 1.00 0.00 H ATOM 538 HD12 LEU B 15 -2.625 -4.430 -1.897 1.00 0.00 H ATOM 539 HD13 LEU B 15 -2.078 -5.728 -2.956 1.00 0.00 H ATOM 540 HD21 LEU B 15 -3.088 -2.178 -2.799 1.00 0.00 H ATOM 541 HD22 LEU B 15 -3.810 -2.307 -4.403 1.00 0.00 H ATOM 542 HD23 LEU B 15 -4.319 -3.400 -3.115 1.00 0.00 H ATOM 543 N TYR B 16 -0.241 -5.802 -6.029 1.00 0.00 N ATOM 544 CA TYR B 16 -0.413 -7.247 -6.344 1.00 0.00 C ATOM 545 C TYR B 16 0.946 -7.914 -6.194 1.00 0.00 C ATOM 546 O TYR B 16 1.068 -9.017 -5.700 1.00 0.00 O ATOM 547 CB TYR B 16 -0.874 -7.310 -7.815 1.00 0.00 C ATOM 548 CG TYR B 16 0.101 -8.123 -8.659 1.00 0.00 C ATOM 549 CD1 TYR B 16 0.075 -9.524 -8.605 1.00 0.00 C ATOM 550 CD2 TYR B 16 1.031 -7.474 -9.488 1.00 0.00 C ATOM 551 CE1 TYR B 16 0.969 -10.274 -9.380 1.00 0.00 C ATOM 552 CE2 TYR B 16 1.925 -8.227 -10.261 1.00 0.00 C ATOM 553 CZ TYR B 16 1.892 -9.625 -10.208 1.00 0.00 C ATOM 554 OH TYR B 16 2.771 -10.365 -10.972 1.00 0.00 O ATOM 555 H TYR B 16 -0.124 -5.151 -6.754 1.00 0.00 H ATOM 556 HA TYR B 16 -1.144 -7.702 -5.695 1.00 0.00 H ATOM 557 HB2 TYR B 16 -1.844 -7.768 -7.870 1.00 0.00 H ATOM 558 HB3 TYR B 16 -0.933 -6.316 -8.204 1.00 0.00 H ATOM 559 HD1 TYR B 16 -0.631 -10.029 -7.964 1.00 0.00 H ATOM 560 HD2 TYR B 16 1.065 -6.397 -9.525 1.00 0.00 H ATOM 561 HE1 TYR B 16 0.946 -11.353 -9.336 1.00 0.00 H ATOM 562 HE2 TYR B 16 2.637 -7.728 -10.901 1.00 0.00 H ATOM 563 HH TYR B 16 2.599 -10.166 -11.895 1.00 0.00 H ATOM 564 N LEU B 17 1.970 -7.251 -6.664 1.00 0.00 N ATOM 565 CA LEU B 17 3.317 -7.858 -6.593 1.00 0.00 C ATOM 566 C LEU B 17 3.712 -7.949 -5.144 1.00 0.00 C ATOM 567 O LEU B 17 4.494 -8.788 -4.744 1.00 0.00 O ATOM 568 CB LEU B 17 4.275 -6.855 -7.234 1.00 0.00 C ATOM 569 CG LEU B 17 5.194 -7.515 -8.286 1.00 0.00 C ATOM 570 CD1 LEU B 17 5.365 -9.015 -8.017 1.00 0.00 C ATOM 571 CD2 LEU B 17 4.589 -7.316 -9.678 1.00 0.00 C ATOM 572 H LEU B 17 1.844 -6.374 -7.083 1.00 0.00 H ATOM 573 HA LEU B 17 3.337 -8.810 -7.092 1.00 0.00 H ATOM 574 HB2 LEU B 17 3.719 -6.059 -7.653 1.00 0.00 H ATOM 575 HB3 LEU B 17 4.907 -6.447 -6.457 1.00 0.00 H ATOM 576 HG LEU B 17 6.164 -7.040 -8.252 1.00 0.00 H ATOM 577 HD11 LEU B 17 5.313 -9.199 -6.954 1.00 0.00 H ATOM 578 HD12 LEU B 17 4.574 -9.561 -8.513 1.00 0.00 H ATOM 579 HD13 LEU B 17 6.320 -9.345 -8.395 1.00 0.00 H ATOM 580 HD21 LEU B 17 3.646 -6.798 -9.589 1.00 0.00 H ATOM 581 HD22 LEU B 17 5.266 -6.729 -10.283 1.00 0.00 H ATOM 582 HD23 LEU B 17 4.431 -8.277 -10.144 1.00 0.00 H ATOM 583 N VAL B 18 3.226 -7.028 -4.361 1.00 0.00 N ATOM 584 CA VAL B 18 3.644 -7.015 -2.962 1.00 0.00 C ATOM 585 C VAL B 18 2.756 -7.932 -2.100 1.00 0.00 C ATOM 586 O VAL B 18 3.204 -8.494 -1.121 1.00 0.00 O ATOM 587 CB VAL B 18 3.577 -5.545 -2.528 1.00 0.00 C ATOM 588 CG1 VAL B 18 2.148 -5.150 -2.186 1.00 0.00 C ATOM 589 CG2 VAL B 18 4.465 -5.336 -1.301 1.00 0.00 C ATOM 590 H VAL B 18 2.634 -6.328 -4.712 1.00 0.00 H ATOM 591 HA VAL B 18 4.662 -7.341 -2.944 1.00 0.00 H ATOM 592 HB VAL B 18 3.928 -4.919 -3.335 1.00 0.00 H ATOM 593 HG11 VAL B 18 1.461 -5.731 -2.782 1.00 0.00 H ATOM 594 HG12 VAL B 18 1.965 -5.335 -1.138 1.00 0.00 H ATOM 595 HG13 VAL B 18 2.009 -4.100 -2.394 1.00 0.00 H ATOM 596 HG21 VAL B 18 5.339 -5.967 -1.376 1.00 0.00 H ATOM 597 HG22 VAL B 18 4.770 -4.302 -1.251 1.00 0.00 H ATOM 598 HG23 VAL B 18 3.911 -5.592 -0.410 1.00 0.00 H ATOM 599 N CYS B 19 1.512 -8.121 -2.473 1.00 0.00 N ATOM 600 CA CYS B 19 0.624 -9.043 -1.682 1.00 0.00 C ATOM 601 C CYS B 19 0.199 -10.212 -2.588 1.00 0.00 C ATOM 602 O CYS B 19 0.805 -11.265 -2.565 1.00 0.00 O ATOM 603 CB CYS B 19 -0.609 -8.236 -1.204 1.00 0.00 C ATOM 604 SG CYS B 19 -0.260 -6.470 -1.122 1.00 0.00 S ATOM 605 H CYS B 19 1.172 -7.686 -3.283 1.00 0.00 H ATOM 606 HA CYS B 19 1.165 -9.423 -0.827 1.00 0.00 H ATOM 607 HB2 CYS B 19 -1.426 -8.390 -1.878 1.00 0.00 H ATOM 608 HB3 CYS B 19 -0.899 -8.578 -0.222 1.00 0.00 H ATOM 609 N GLY B 20 -0.814 -10.039 -3.404 1.00 0.00 N ATOM 610 CA GLY B 20 -1.235 -11.140 -4.318 1.00 0.00 C ATOM 611 C GLY B 20 -1.464 -12.431 -3.537 1.00 0.00 C ATOM 612 O GLY B 20 -2.566 -12.734 -3.129 1.00 0.00 O ATOM 613 H GLY B 20 -1.287 -9.185 -3.433 1.00 0.00 H ATOM 614 HA2 GLY B 20 -2.146 -10.862 -4.819 1.00 0.00 H ATOM 615 HA3 GLY B 20 -0.460 -11.304 -5.051 1.00 0.00 H ATOM 616 N GLU B 21 -0.429 -13.197 -3.340 1.00 0.00 N ATOM 617 CA GLU B 21 -0.569 -14.484 -2.596 1.00 0.00 C ATOM 618 C GLU B 21 -1.549 -14.344 -1.427 1.00 0.00 C ATOM 619 O GLU B 21 -2.168 -15.301 -1.007 1.00 0.00 O ATOM 620 CB GLU B 21 0.837 -14.805 -2.087 1.00 0.00 C ATOM 621 CG GLU B 21 1.198 -13.864 -0.936 1.00 0.00 C ATOM 622 CD GLU B 21 2.720 -13.777 -0.806 1.00 0.00 C ATOM 623 OE1 GLU B 21 3.384 -14.708 -1.231 1.00 0.00 O ATOM 624 OE2 GLU B 21 3.196 -12.782 -0.285 1.00 0.00 O ATOM 625 H GLU B 21 0.444 -12.928 -3.694 1.00 0.00 H ATOM 626 HA GLU B 21 -0.897 -15.259 -3.262 1.00 0.00 H ATOM 627 HB2 GLU B 21 0.869 -15.828 -1.739 1.00 0.00 H ATOM 628 HB3 GLU B 21 1.547 -14.675 -2.890 1.00 0.00 H ATOM 629 HG2 GLU B 21 0.796 -12.880 -1.135 1.00 0.00 H ATOM 630 HG3 GLU B 21 0.782 -14.243 -0.016 1.00 0.00 H ATOM 631 N ARG B 22 -1.695 -13.163 -0.900 1.00 0.00 N ATOM 632 CA ARG B 22 -2.637 -12.968 0.240 1.00 0.00 C ATOM 633 C ARG B 22 -3.727 -11.955 -0.132 1.00 0.00 C ATOM 634 O ARG B 22 -4.433 -11.451 0.719 1.00 0.00 O ATOM 635 CB ARG B 22 -1.773 -12.427 1.378 1.00 0.00 C ATOM 636 CG ARG B 22 -1.768 -13.427 2.536 1.00 0.00 C ATOM 637 CD ARG B 22 -1.256 -14.780 2.038 1.00 0.00 C ATOM 638 NE ARG B 22 -0.672 -15.435 3.241 1.00 0.00 N ATOM 639 CZ ARG B 22 0.353 -16.232 3.117 1.00 0.00 C ATOM 640 NH1 ARG B 22 0.394 -17.097 2.141 1.00 0.00 N ATOM 641 NH2 ARG B 22 1.341 -16.162 3.967 1.00 0.00 N ATOM 642 H ARG B 22 -1.186 -12.407 -1.251 1.00 0.00 H ATOM 643 HA ARG B 22 -3.079 -13.908 0.529 1.00 0.00 H ATOM 644 HB2 ARG B 22 -0.764 -12.278 1.024 1.00 0.00 H ATOM 645 HB3 ARG B 22 -2.177 -11.486 1.720 1.00 0.00 H ATOM 646 HG2 ARG B 22 -1.124 -13.063 3.323 1.00 0.00 H ATOM 647 HG3 ARG B 22 -2.772 -13.544 2.915 1.00 0.00 H ATOM 648 HD2 ARG B 22 -2.072 -15.369 1.644 1.00 0.00 H ATOM 649 HD3 ARG B 22 -0.493 -14.642 1.288 1.00 0.00 H ATOM 650 HE ARG B 22 -1.059 -15.268 4.127 1.00 0.00 H ATOM 651 HH11 ARG B 22 -0.363 -17.150 1.488 1.00 0.00 H ATOM 652 HH12 ARG B 22 1.180 -17.708 2.046 1.00 0.00 H ATOM 653 HH21 ARG B 22 1.311 -15.499 4.714 1.00 0.00 H ATOM 654 HH22 ARG B 22 2.128 -16.770 3.868 1.00 0.00 H ATOM 655 N GLY B 23 -3.871 -11.649 -1.394 1.00 0.00 N ATOM 656 CA GLY B 23 -4.916 -10.665 -1.805 1.00 0.00 C ATOM 657 C GLY B 23 -4.731 -9.372 -1.008 1.00 0.00 C ATOM 658 O GLY B 23 -3.846 -9.267 -0.182 1.00 0.00 O ATOM 659 H GLY B 23 -3.294 -12.063 -2.069 1.00 0.00 H ATOM 660 HA2 GLY B 23 -4.820 -10.458 -2.861 1.00 0.00 H ATOM 661 HA3 GLY B 23 -5.895 -11.072 -1.603 1.00 0.00 H ATOM 662 N PHE B 24 -5.552 -8.383 -1.244 1.00 0.00 N ATOM 663 CA PHE B 24 -5.401 -7.109 -0.485 1.00 0.00 C ATOM 664 C PHE B 24 -6.704 -6.309 -0.480 1.00 0.00 C ATOM 665 O PHE B 24 -7.769 -6.820 -0.761 1.00 0.00 O ATOM 666 CB PHE B 24 -4.309 -6.331 -1.220 1.00 0.00 C ATOM 667 CG PHE B 24 -4.667 -6.184 -2.683 1.00 0.00 C ATOM 668 CD1 PHE B 24 -5.686 -5.301 -3.075 1.00 0.00 C ATOM 669 CD2 PHE B 24 -3.971 -6.920 -3.650 1.00 0.00 C ATOM 670 CE1 PHE B 24 -6.006 -5.159 -4.436 1.00 0.00 C ATOM 671 CE2 PHE B 24 -4.290 -6.774 -5.006 1.00 0.00 C ATOM 672 CZ PHE B 24 -5.307 -5.895 -5.398 1.00 0.00 C ATOM 673 H PHE B 24 -6.262 -8.477 -1.912 1.00 0.00 H ATOM 674 HA PHE B 24 -5.084 -7.312 0.525 1.00 0.00 H ATOM 675 HB2 PHE B 24 -4.208 -5.351 -0.778 1.00 0.00 H ATOM 676 HB3 PHE B 24 -3.373 -6.860 -1.133 1.00 0.00 H ATOM 677 HD1 PHE B 24 -6.226 -4.733 -2.332 1.00 0.00 H ATOM 678 HD2 PHE B 24 -3.187 -7.600 -3.349 1.00 0.00 H ATOM 679 HE1 PHE B 24 -6.789 -4.479 -4.743 1.00 0.00 H ATOM 680 HE2 PHE B 24 -3.753 -7.338 -5.751 1.00 0.00 H ATOM 681 HZ PHE B 24 -5.551 -5.785 -6.445 1.00 0.00 H ATOM 682 N PHE B 25 -6.612 -5.048 -0.157 1.00 0.00 N ATOM 683 CA PHE B 25 -7.822 -4.182 -0.121 1.00 0.00 C ATOM 684 C PHE B 25 -7.545 -2.878 -0.882 1.00 0.00 C ATOM 685 O PHE B 25 -6.765 -2.051 -0.453 1.00 0.00 O ATOM 686 CB PHE B 25 -8.066 -3.918 1.375 1.00 0.00 C ATOM 687 CG PHE B 25 -8.733 -2.574 1.574 1.00 0.00 C ATOM 688 CD1 PHE B 25 -9.895 -2.254 0.858 1.00 0.00 C ATOM 689 CD2 PHE B 25 -8.187 -1.650 2.473 1.00 0.00 C ATOM 690 CE1 PHE B 25 -10.509 -1.007 1.043 1.00 0.00 C ATOM 691 CE2 PHE B 25 -8.801 -0.405 2.658 1.00 0.00 C ATOM 692 CZ PHE B 25 -9.961 -0.082 1.943 1.00 0.00 C ATOM 693 H PHE B 25 -5.736 -4.670 0.063 1.00 0.00 H ATOM 694 HA PHE B 25 -8.668 -4.695 -0.549 1.00 0.00 H ATOM 695 HB2 PHE B 25 -8.701 -4.694 1.774 1.00 0.00 H ATOM 696 HB3 PHE B 25 -7.120 -3.926 1.897 1.00 0.00 H ATOM 697 HD1 PHE B 25 -10.316 -2.967 0.165 1.00 0.00 H ATOM 698 HD2 PHE B 25 -7.292 -1.897 3.025 1.00 0.00 H ATOM 699 HE1 PHE B 25 -11.403 -0.759 0.490 1.00 0.00 H ATOM 700 HE2 PHE B 25 -8.378 0.308 3.351 1.00 0.00 H ATOM 701 HZ PHE B 25 -10.434 0.878 2.085 1.00 0.00 H ATOM 702 N TYR B 26 -8.181 -2.690 -2.004 1.00 0.00 N ATOM 703 CA TYR B 26 -7.960 -1.443 -2.792 1.00 0.00 C ATOM 704 C TYR B 26 -9.286 -0.980 -3.403 1.00 0.00 C ATOM 705 O TYR B 26 -9.985 -1.744 -4.039 1.00 0.00 O ATOM 706 CB TYR B 26 -6.964 -1.839 -3.884 1.00 0.00 C ATOM 707 CG TYR B 26 -6.303 -0.600 -4.437 1.00 0.00 C ATOM 708 CD1 TYR B 26 -6.937 0.139 -5.442 1.00 0.00 C ATOM 709 CD2 TYR B 26 -5.056 -0.190 -3.946 1.00 0.00 C ATOM 710 CE1 TYR B 26 -6.327 1.291 -5.957 1.00 0.00 C ATOM 711 CE2 TYR B 26 -4.446 0.962 -4.459 1.00 0.00 C ATOM 712 CZ TYR B 26 -5.081 1.702 -5.465 1.00 0.00 C ATOM 713 OH TYR B 26 -4.481 2.838 -5.970 1.00 0.00 O ATOM 714 H TYR B 26 -8.808 -3.369 -2.330 1.00 0.00 H ATOM 715 HA TYR B 26 -7.540 -0.670 -2.168 1.00 0.00 H ATOM 716 HB2 TYR B 26 -6.212 -2.492 -3.465 1.00 0.00 H ATOM 717 HB3 TYR B 26 -7.484 -2.351 -4.678 1.00 0.00 H ATOM 718 HD1 TYR B 26 -7.894 -0.180 -5.821 1.00 0.00 H ATOM 719 HD2 TYR B 26 -4.566 -0.760 -3.170 1.00 0.00 H ATOM 720 HE1 TYR B 26 -6.818 1.861 -6.732 1.00 0.00 H ATOM 721 HE2 TYR B 26 -3.485 1.278 -4.081 1.00 0.00 H ATOM 722 HH TYR B 26 -3.743 2.563 -6.519 1.00 0.00 H ATOM 723 N THR B 27 -9.647 0.261 -3.209 1.00 0.00 N ATOM 724 CA THR B 27 -10.939 0.753 -3.775 1.00 0.00 C ATOM 725 C THR B 27 -10.756 1.076 -5.270 1.00 0.00 C ATOM 726 O THR B 27 -9.819 0.595 -5.874 1.00 0.00 O ATOM 727 CB THR B 27 -11.287 2.011 -2.964 1.00 0.00 C ATOM 728 OG1 THR B 27 -10.640 3.135 -3.542 1.00 0.00 O ATOM 729 CG2 THR B 27 -10.836 1.850 -1.509 1.00 0.00 C ATOM 730 H THR B 27 -9.075 0.863 -2.687 1.00 0.00 H ATOM 731 HA THR B 27 -11.700 0.000 -3.640 1.00 0.00 H ATOM 732 HB THR B 27 -12.355 2.161 -2.985 1.00 0.00 H ATOM 733 HG1 THR B 27 -10.707 3.866 -2.923 1.00 0.00 H ATOM 734 HG21 THR B 27 -10.982 0.827 -1.196 1.00 0.00 H ATOM 735 HG22 THR B 27 -9.789 2.104 -1.427 1.00 0.00 H ATOM 736 HG23 THR B 27 -11.416 2.507 -0.878 1.00 0.00 H ATOM 737 N PRO B 28 -11.640 1.872 -5.843 1.00 0.00 N ATOM 738 CA PRO B 28 -11.501 2.201 -7.281 1.00 0.00 C ATOM 739 C PRO B 28 -10.412 3.253 -7.483 1.00 0.00 C ATOM 740 O PRO B 28 -10.066 3.988 -6.579 1.00 0.00 O ATOM 741 CB PRO B 28 -12.865 2.759 -7.663 1.00 0.00 C ATOM 742 CG PRO B 28 -13.442 3.287 -6.394 1.00 0.00 C ATOM 743 CD PRO B 28 -12.820 2.526 -5.249 1.00 0.00 C ATOM 744 HA PRO B 28 -11.286 1.317 -7.857 1.00 0.00 H ATOM 745 HB2 PRO B 28 -12.763 3.557 -8.385 1.00 0.00 H ATOM 746 HB3 PRO B 28 -13.494 1.975 -8.054 1.00 0.00 H ATOM 747 HG2 PRO B 28 -13.220 4.340 -6.302 1.00 0.00 H ATOM 748 HG3 PRO B 28 -14.502 3.134 -6.395 1.00 0.00 H ATOM 749 HD2 PRO B 28 -12.528 3.214 -4.470 1.00 0.00 H ATOM 750 HD3 PRO B 28 -13.514 1.792 -4.873 1.00 0.00 H ATOM 751 N LYS B 29 -9.877 3.334 -8.666 1.00 0.00 N ATOM 752 CA LYS B 29 -8.814 4.341 -8.934 1.00 0.00 C ATOM 753 C LYS B 29 -9.445 5.666 -9.351 1.00 0.00 C ATOM 754 O LYS B 29 -9.972 5.806 -10.436 1.00 0.00 O ATOM 755 CB LYS B 29 -7.982 3.759 -10.071 1.00 0.00 C ATOM 756 CG LYS B 29 -6.767 4.655 -10.321 1.00 0.00 C ATOM 757 CD LYS B 29 -6.149 4.316 -11.677 1.00 0.00 C ATOM 758 CE LYS B 29 -7.010 4.906 -12.796 1.00 0.00 C ATOM 759 NZ LYS B 29 -6.044 5.290 -13.862 1.00 0.00 N ATOM 760 H LYS B 29 -10.176 2.733 -9.378 1.00 0.00 H ATOM 761 HA LYS B 29 -8.196 4.476 -8.059 1.00 0.00 H ATOM 762 HB2 LYS B 29 -7.651 2.771 -9.796 1.00 0.00 H ATOM 763 HB3 LYS B 29 -8.580 3.705 -10.968 1.00 0.00 H ATOM 764 HG2 LYS B 29 -7.077 5.690 -10.312 1.00 0.00 H ATOM 765 HG3 LYS B 29 -6.034 4.492 -9.544 1.00 0.00 H ATOM 766 HD2 LYS B 29 -5.153 4.732 -11.732 1.00 0.00 H ATOM 767 HD3 LYS B 29 -6.098 3.243 -11.792 1.00 0.00 H ATOM 768 HE2 LYS B 29 -7.706 4.165 -13.164 1.00 0.00 H ATOM 769 HE3 LYS B 29 -7.539 5.779 -12.444 1.00 0.00 H ATOM 770 HZ1 LYS B 29 -5.382 4.506 -14.029 1.00 0.00 H ATOM 771 HZ2 LYS B 29 -6.562 5.500 -14.740 1.00 0.00 H ATOM 772 HZ3 LYS B 29 -5.514 6.132 -13.564 1.00 0.00 H ATOM 773 N THR B 30 -9.394 6.638 -8.490 1.00 0.00 N ATOM 774 CA THR B 30 -9.991 7.965 -8.819 1.00 0.00 C ATOM 775 C THR B 30 -8.963 9.079 -8.598 1.00 0.00 C ATOM 776 O THR B 30 -7.838 8.913 -9.037 1.00 0.00 O ATOM 777 CB THR B 30 -11.171 8.127 -7.855 1.00 0.00 C ATOM 778 OG1 THR B 30 -11.219 7.017 -6.969 1.00 0.00 O ATOM 779 CG2 THR B 30 -12.474 8.202 -8.652 1.00 0.00 C ATOM 780 OXT THR B 30 -9.321 10.077 -7.995 1.00 0.00 O ATOM 781 H THR B 30 -8.963 6.493 -7.624 1.00 0.00 H ATOM 782 HA THR B 30 -10.345 7.977 -9.839 1.00 0.00 H ATOM 783 HB THR B 30 -11.050 9.037 -7.288 1.00 0.00 H ATOM 784 HG1 THR B 30 -10.545 7.144 -6.297 1.00 0.00 H ATOM 785 HG21 THR B 30 -12.252 8.169 -9.709 1.00 0.00 H ATOM 786 HG22 THR B 30 -13.104 7.365 -8.391 1.00 0.00 H ATOM 787 HG23 THR B 30 -12.986 9.124 -8.421 1.00 0.00 H TER 788 THR B 30 ENDMDL MODEL 8 ATOM 1 N GLY A 1 -7.907 2.107 0.271 1.00 0.00 N ATOM 2 CA GLY A 1 -8.023 3.502 -0.241 1.00 0.00 C ATOM 3 C GLY A 1 -6.631 4.126 -0.351 1.00 0.00 C ATOM 4 O GLY A 1 -6.416 5.259 0.031 1.00 0.00 O ATOM 5 H1 GLY A 1 -6.905 1.833 0.311 1.00 0.00 H ATOM 6 H2 GLY A 1 -8.320 2.053 1.226 1.00 0.00 H ATOM 7 H3 GLY A 1 -8.416 1.461 -0.363 1.00 0.00 H ATOM 8 HA2 GLY A 1 -8.493 3.489 -1.215 1.00 0.00 H ATOM 9 HA3 GLY A 1 -8.623 4.087 0.440 1.00 0.00 H ATOM 10 N ILE A 2 -5.682 3.395 -0.870 1.00 0.00 N ATOM 11 CA ILE A 2 -4.303 3.946 -1.001 1.00 0.00 C ATOM 12 C ILE A 2 -4.075 4.475 -2.424 1.00 0.00 C ATOM 13 O ILE A 2 -3.225 4.006 -3.152 1.00 0.00 O ATOM 14 CB ILE A 2 -3.392 2.759 -0.670 1.00 0.00 C ATOM 15 CG1 ILE A 2 -1.998 3.258 -0.264 1.00 0.00 C ATOM 16 CG2 ILE A 2 -3.284 1.812 -1.858 1.00 0.00 C ATOM 17 CD1 ILE A 2 -1.397 4.128 -1.375 1.00 0.00 C ATOM 18 H ILE A 2 -5.875 2.483 -1.168 1.00 0.00 H ATOM 19 HA ILE A 2 -4.149 4.734 -0.282 1.00 0.00 H ATOM 20 HB ILE A 2 -3.826 2.217 0.147 1.00 0.00 H ATOM 21 HG12 ILE A 2 -2.076 3.840 0.642 1.00 0.00 H ATOM 22 HG13 ILE A 2 -1.353 2.410 -0.089 1.00 0.00 H ATOM 23 HG21 ILE A 2 -4.218 1.802 -2.394 1.00 0.00 H ATOM 24 HG22 ILE A 2 -2.492 2.138 -2.510 1.00 0.00 H ATOM 25 HG23 ILE A 2 -3.067 0.816 -1.497 1.00 0.00 H ATOM 26 HD11 ILE A 2 -1.356 3.564 -2.294 1.00 0.00 H ATOM 27 HD12 ILE A 2 -2.010 5.005 -1.517 1.00 0.00 H ATOM 28 HD13 ILE A 2 -0.400 4.427 -1.094 1.00 0.00 H ATOM 29 N VAL A 3 -4.837 5.459 -2.819 1.00 0.00 N ATOM 30 CA VAL A 3 -4.678 6.033 -4.187 1.00 0.00 C ATOM 31 C VAL A 3 -4.005 7.408 -4.123 1.00 0.00 C ATOM 32 O VAL A 3 -3.680 7.995 -5.135 1.00 0.00 O ATOM 33 CB VAL A 3 -6.102 6.166 -4.721 1.00 0.00 C ATOM 34 CG1 VAL A 3 -6.903 7.098 -3.811 1.00 0.00 C ATOM 35 CG2 VAL A 3 -6.062 6.747 -6.137 1.00 0.00 C ATOM 36 H VAL A 3 -5.516 5.823 -2.214 1.00 0.00 H ATOM 37 HA VAL A 3 -4.113 5.367 -4.814 1.00 0.00 H ATOM 38 HB VAL A 3 -6.570 5.193 -4.742 1.00 0.00 H ATOM 39 HG11 VAL A 3 -6.233 7.596 -3.125 1.00 0.00 H ATOM 40 HG12 VAL A 3 -7.417 7.834 -4.411 1.00 0.00 H ATOM 41 HG13 VAL A 3 -7.626 6.521 -3.252 1.00 0.00 H ATOM 42 HG21 VAL A 3 -5.034 6.864 -6.448 1.00 0.00 H ATOM 43 HG22 VAL A 3 -6.570 6.077 -6.815 1.00 0.00 H ATOM 44 HG23 VAL A 3 -6.553 7.709 -6.146 1.00 0.00 H ATOM 45 N GLU A 4 -3.812 7.939 -2.947 1.00 0.00 N ATOM 46 CA GLU A 4 -3.181 9.286 -2.840 1.00 0.00 C ATOM 47 C GLU A 4 -1.730 9.196 -2.345 1.00 0.00 C ATOM 48 O GLU A 4 -1.011 10.174 -2.351 1.00 0.00 O ATOM 49 CB GLU A 4 -4.046 10.040 -1.826 1.00 0.00 C ATOM 50 CG GLU A 4 -3.286 11.262 -1.309 1.00 0.00 C ATOM 51 CD GLU A 4 -4.258 12.422 -1.097 1.00 0.00 C ATOM 52 OE1 GLU A 4 -5.331 12.181 -0.569 1.00 0.00 O ATOM 53 OE2 GLU A 4 -3.913 13.533 -1.466 1.00 0.00 O ATOM 54 H GLU A 4 -4.095 7.461 -2.139 1.00 0.00 H ATOM 55 HA GLU A 4 -3.220 9.791 -3.792 1.00 0.00 H ATOM 56 HB2 GLU A 4 -4.962 10.360 -2.303 1.00 0.00 H ATOM 57 HB3 GLU A 4 -4.282 9.388 -0.999 1.00 0.00 H ATOM 58 HG2 GLU A 4 -2.806 11.017 -0.372 1.00 0.00 H ATOM 59 HG3 GLU A 4 -2.539 11.549 -2.032 1.00 0.00 H ATOM 60 N GLN A 5 -1.289 8.053 -1.897 1.00 0.00 N ATOM 61 CA GLN A 5 0.114 7.976 -1.390 1.00 0.00 C ATOM 62 C GLN A 5 1.097 7.669 -2.531 1.00 0.00 C ATOM 63 O GLN A 5 2.166 8.243 -2.592 1.00 0.00 O ATOM 64 CB GLN A 5 0.113 6.876 -0.319 1.00 0.00 C ATOM 65 CG GLN A 5 0.946 7.345 0.872 1.00 0.00 C ATOM 66 CD GLN A 5 0.012 7.736 2.018 1.00 0.00 C ATOM 67 OE1 GLN A 5 0.324 7.518 3.173 1.00 0.00 O ATOM 68 NE2 GLN A 5 -1.130 8.308 1.747 1.00 0.00 N ATOM 69 H GLN A 5 -1.872 7.267 -1.875 1.00 0.00 H ATOM 70 HA GLN A 5 0.379 8.918 -0.933 1.00 0.00 H ATOM 71 HB2 GLN A 5 -0.900 6.682 0.000 1.00 0.00 H ATOM 72 HB3 GLN A 5 0.548 5.970 -0.712 1.00 0.00 H ATOM 73 HG2 GLN A 5 1.599 6.546 1.192 1.00 0.00 H ATOM 74 HG3 GLN A 5 1.536 8.201 0.584 1.00 0.00 H ATOM 75 HE21 GLN A 5 -1.381 8.482 0.816 1.00 0.00 H ATOM 76 HE22 GLN A 5 -1.735 8.563 2.474 1.00 0.00 H ATOM 77 N CYS A 6 0.768 6.782 -3.439 1.00 0.00 N ATOM 78 CA CYS A 6 1.726 6.490 -4.548 1.00 0.00 C ATOM 79 C CYS A 6 1.378 7.298 -5.801 1.00 0.00 C ATOM 80 O CYS A 6 2.206 7.505 -6.637 1.00 0.00 O ATOM 81 CB CYS A 6 1.679 4.968 -4.808 1.00 0.00 C ATOM 82 SG CYS A 6 1.320 4.080 -3.282 1.00 0.00 S ATOM 83 H CYS A 6 -0.090 6.316 -3.394 1.00 0.00 H ATOM 84 HA CYS A 6 2.722 6.762 -4.241 1.00 0.00 H ATOM 85 HB2 CYS A 6 0.946 4.723 -5.558 1.00 0.00 H ATOM 86 HB3 CYS A 6 2.648 4.651 -5.160 1.00 0.00 H ATOM 87 N CYS A 7 0.199 7.801 -5.951 1.00 0.00 N ATOM 88 CA CYS A 7 -0.049 8.614 -7.179 1.00 0.00 C ATOM 89 C CYS A 7 0.376 10.048 -6.905 1.00 0.00 C ATOM 90 O CYS A 7 1.073 10.674 -7.678 1.00 0.00 O ATOM 91 CB CYS A 7 -1.547 8.580 -7.423 1.00 0.00 C ATOM 92 SG CYS A 7 -1.909 9.363 -9.021 1.00 0.00 S ATOM 93 H CYS A 7 -0.495 7.679 -5.270 1.00 0.00 H ATOM 94 HA CYS A 7 0.489 8.211 -8.026 1.00 0.00 H ATOM 95 HB2 CYS A 7 -1.900 7.573 -7.410 1.00 0.00 H ATOM 96 HB3 CYS A 7 -2.032 9.124 -6.647 1.00 0.00 H ATOM 97 N THR A 8 -0.067 10.567 -5.802 1.00 0.00 N ATOM 98 CA THR A 8 0.270 11.968 -5.437 1.00 0.00 C ATOM 99 C THR A 8 1.529 12.025 -4.563 1.00 0.00 C ATOM 100 O THR A 8 1.727 12.964 -3.820 1.00 0.00 O ATOM 101 CB THR A 8 -0.945 12.446 -4.642 1.00 0.00 C ATOM 102 OG1 THR A 8 -2.082 12.501 -5.496 1.00 0.00 O ATOM 103 CG2 THR A 8 -0.668 13.834 -4.066 1.00 0.00 C ATOM 104 H THR A 8 -0.640 10.030 -5.214 1.00 0.00 H ATOM 105 HA THR A 8 0.392 12.573 -6.320 1.00 0.00 H ATOM 106 HB THR A 8 -1.136 11.754 -3.834 1.00 0.00 H ATOM 107 HG1 THR A 8 -1.773 12.531 -6.405 1.00 0.00 H ATOM 108 HG21 THR A 8 0.067 14.338 -4.677 1.00 0.00 H ATOM 109 HG22 THR A 8 -1.582 14.408 -4.055 1.00 0.00 H ATOM 110 HG23 THR A 8 -0.293 13.737 -3.058 1.00 0.00 H ATOM 111 N SER A 9 2.390 11.041 -4.638 1.00 0.00 N ATOM 112 CA SER A 9 3.625 11.083 -3.793 1.00 0.00 C ATOM 113 C SER A 9 4.381 9.753 -3.841 1.00 0.00 C ATOM 114 O SER A 9 4.083 8.877 -4.629 1.00 0.00 O ATOM 115 CB SER A 9 3.124 11.362 -2.374 1.00 0.00 C ATOM 116 OG SER A 9 4.080 10.894 -1.431 1.00 0.00 O ATOM 117 H SER A 9 2.228 10.285 -5.243 1.00 0.00 H ATOM 118 HA SER A 9 4.270 11.885 -4.115 1.00 0.00 H ATOM 119 HB2 SER A 9 2.988 12.421 -2.240 1.00 0.00 H ATOM 120 HB3 SER A 9 2.178 10.859 -2.223 1.00 0.00 H ATOM 121 HG SER A 9 3.718 10.114 -1.005 1.00 0.00 H ATOM 122 N ILE A 10 5.375 9.616 -3.004 1.00 0.00 N ATOM 123 CA ILE A 10 6.189 8.368 -2.982 1.00 0.00 C ATOM 124 C ILE A 10 5.768 7.456 -1.825 1.00 0.00 C ATOM 125 O ILE A 10 5.989 7.763 -0.670 1.00 0.00 O ATOM 126 CB ILE A 10 7.631 8.840 -2.756 1.00 0.00 C ATOM 127 CG1 ILE A 10 7.902 10.128 -3.545 1.00 0.00 C ATOM 128 CG2 ILE A 10 8.602 7.751 -3.215 1.00 0.00 C ATOM 129 CD1 ILE A 10 7.876 9.827 -5.041 1.00 0.00 C ATOM 130 H ILE A 10 5.596 10.345 -2.394 1.00 0.00 H ATOM 131 HA ILE A 10 6.116 7.849 -3.924 1.00 0.00 H ATOM 132 HB ILE A 10 7.782 9.027 -1.702 1.00 0.00 H ATOM 133 HG12 ILE A 10 7.145 10.861 -3.311 1.00 0.00 H ATOM 134 HG13 ILE A 10 8.873 10.515 -3.276 1.00 0.00 H ATOM 135 HG21 ILE A 10 8.305 7.390 -4.188 1.00 0.00 H ATOM 136 HG22 ILE A 10 9.600 8.159 -3.270 1.00 0.00 H ATOM 137 HG23 ILE A 10 8.585 6.934 -2.508 1.00 0.00 H ATOM 138 HD11 ILE A 10 8.595 9.055 -5.263 1.00 0.00 H ATOM 139 HD12 ILE A 10 6.888 9.494 -5.326 1.00 0.00 H ATOM 140 HD13 ILE A 10 8.127 10.721 -5.590 1.00 0.00 H ATOM 141 N CYS A 11 5.197 6.320 -2.122 1.00 0.00 N ATOM 142 CA CYS A 11 4.806 5.377 -1.023 1.00 0.00 C ATOM 143 C CYS A 11 5.723 4.146 -1.100 1.00 0.00 C ATOM 144 O CYS A 11 6.335 3.900 -2.122 1.00 0.00 O ATOM 145 CB CYS A 11 3.325 5.035 -1.270 1.00 0.00 C ATOM 146 SG CYS A 11 3.167 3.770 -2.552 1.00 0.00 S ATOM 147 H CYS A 11 5.050 6.077 -3.061 1.00 0.00 H ATOM 148 HA CYS A 11 4.918 5.863 -0.064 1.00 0.00 H ATOM 149 HB2 CYS A 11 2.874 4.675 -0.364 1.00 0.00 H ATOM 150 HB3 CYS A 11 2.806 5.924 -1.577 1.00 0.00 H ATOM 151 N SER A 12 5.870 3.389 -0.040 1.00 0.00 N ATOM 152 CA SER A 12 6.804 2.221 -0.116 1.00 0.00 C ATOM 153 C SER A 12 6.103 0.876 -0.053 1.00 0.00 C ATOM 154 O SER A 12 4.895 0.773 0.035 1.00 0.00 O ATOM 155 CB SER A 12 7.743 2.354 1.073 1.00 0.00 C ATOM 156 OG SER A 12 7.191 3.255 2.023 1.00 0.00 O ATOM 157 H SER A 12 5.398 3.600 0.797 1.00 0.00 H ATOM 158 HA SER A 12 7.383 2.281 -1.023 1.00 0.00 H ATOM 159 HB2 SER A 12 7.864 1.388 1.537 1.00 0.00 H ATOM 160 HB3 SER A 12 8.702 2.697 0.728 1.00 0.00 H ATOM 161 HG SER A 12 7.189 2.820 2.879 1.00 0.00 H ATOM 162 N LEU A 13 6.893 -0.160 -0.093 1.00 0.00 N ATOM 163 CA LEU A 13 6.329 -1.542 -0.043 1.00 0.00 C ATOM 164 C LEU A 13 5.887 -1.899 1.375 1.00 0.00 C ATOM 165 O LEU A 13 5.151 -2.842 1.586 1.00 0.00 O ATOM 166 CB LEU A 13 7.414 -2.511 -0.564 1.00 0.00 C ATOM 167 CG LEU A 13 8.819 -2.245 0.018 1.00 0.00 C ATOM 168 CD1 LEU A 13 9.580 -1.266 -0.878 1.00 0.00 C ATOM 169 CD2 LEU A 13 8.744 -1.690 1.443 1.00 0.00 C ATOM 170 H LEU A 13 7.859 -0.014 -0.158 1.00 0.00 H ATOM 171 HA LEU A 13 5.473 -1.594 -0.699 1.00 0.00 H ATOM 172 HB2 LEU A 13 7.124 -3.520 -0.315 1.00 0.00 H ATOM 173 HB3 LEU A 13 7.461 -2.422 -1.638 1.00 0.00 H ATOM 174 HG LEU A 13 9.360 -3.180 0.038 1.00 0.00 H ATOM 175 HD11 LEU A 13 9.013 -1.089 -1.780 1.00 0.00 H ATOM 176 HD12 LEU A 13 9.721 -0.334 -0.353 1.00 0.00 H ATOM 177 HD13 LEU A 13 10.542 -1.684 -1.134 1.00 0.00 H ATOM 178 HD21 LEU A 13 8.070 -2.292 2.030 1.00 0.00 H ATOM 179 HD22 LEU A 13 9.728 -1.723 1.887 1.00 0.00 H ATOM 180 HD23 LEU A 13 8.403 -0.671 1.419 1.00 0.00 H ATOM 181 N TYR A 14 6.289 -1.133 2.344 1.00 0.00 N ATOM 182 CA TYR A 14 5.846 -1.417 3.731 1.00 0.00 C ATOM 183 C TYR A 14 4.600 -0.581 3.991 1.00 0.00 C ATOM 184 O TYR A 14 3.728 -0.947 4.755 1.00 0.00 O ATOM 185 CB TYR A 14 7.000 -0.999 4.640 1.00 0.00 C ATOM 186 CG TYR A 14 6.821 -1.639 5.998 1.00 0.00 C ATOM 187 CD1 TYR A 14 5.858 -1.138 6.884 1.00 0.00 C ATOM 188 CD2 TYR A 14 7.618 -2.730 6.375 1.00 0.00 C ATOM 189 CE1 TYR A 14 5.693 -1.724 8.146 1.00 0.00 C ATOM 190 CE2 TYR A 14 7.450 -3.318 7.637 1.00 0.00 C ATOM 191 CZ TYR A 14 6.489 -2.814 8.523 1.00 0.00 C ATOM 192 OH TYR A 14 6.327 -3.390 9.768 1.00 0.00 O ATOM 193 H TYR A 14 6.851 -0.357 2.155 1.00 0.00 H ATOM 194 HA TYR A 14 5.634 -2.467 3.853 1.00 0.00 H ATOM 195 HB2 TYR A 14 7.936 -1.321 4.207 1.00 0.00 H ATOM 196 HB3 TYR A 14 7.003 0.076 4.748 1.00 0.00 H ATOM 197 HD1 TYR A 14 5.241 -0.302 6.593 1.00 0.00 H ATOM 198 HD2 TYR A 14 8.356 -3.123 5.690 1.00 0.00 H ATOM 199 HE1 TYR A 14 4.951 -1.336 8.828 1.00 0.00 H ATOM 200 HE2 TYR A 14 8.064 -4.158 7.928 1.00 0.00 H ATOM 201 HH TYR A 14 6.084 -4.309 9.640 1.00 0.00 H ATOM 202 N GLN A 15 4.495 0.531 3.311 1.00 0.00 N ATOM 203 CA GLN A 15 3.294 1.387 3.462 1.00 0.00 C ATOM 204 C GLN A 15 2.154 0.716 2.695 1.00 0.00 C ATOM 205 O GLN A 15 1.041 0.608 3.174 1.00 0.00 O ATOM 206 CB GLN A 15 3.694 2.734 2.846 1.00 0.00 C ATOM 207 CG GLN A 15 3.721 3.802 3.941 1.00 0.00 C ATOM 208 CD GLN A 15 3.101 5.096 3.411 1.00 0.00 C ATOM 209 OE1 GLN A 15 3.630 5.708 2.504 1.00 0.00 O ATOM 210 NE2 GLN A 15 1.996 5.541 3.941 1.00 0.00 N ATOM 211 H GLN A 15 5.198 0.782 2.674 1.00 0.00 H ATOM 212 HA GLN A 15 3.037 1.506 4.503 1.00 0.00 H ATOM 213 HB2 GLN A 15 4.679 2.648 2.407 1.00 0.00 H ATOM 214 HB3 GLN A 15 2.987 3.021 2.084 1.00 0.00 H ATOM 215 HG2 GLN A 15 3.158 3.455 4.796 1.00 0.00 H ATOM 216 HG3 GLN A 15 4.743 3.990 4.236 1.00 0.00 H ATOM 217 HE21 GLN A 15 1.569 5.048 4.673 1.00 0.00 H ATOM 218 HE22 GLN A 15 1.593 6.370 3.609 1.00 0.00 H ATOM 219 N LEU A 16 2.447 0.206 1.526 1.00 0.00 N ATOM 220 CA LEU A 16 1.410 -0.516 0.743 1.00 0.00 C ATOM 221 C LEU A 16 1.180 -1.879 1.398 1.00 0.00 C ATOM 222 O LEU A 16 0.185 -2.544 1.174 1.00 0.00 O ATOM 223 CB LEU A 16 2.019 -0.680 -0.649 1.00 0.00 C ATOM 224 CG LEU A 16 1.018 -0.229 -1.713 1.00 0.00 C ATOM 225 CD1 LEU A 16 1.140 1.277 -1.928 1.00 0.00 C ATOM 226 CD2 LEU A 16 1.324 -0.947 -3.025 1.00 0.00 C ATOM 227 H LEU A 16 3.364 0.261 1.183 1.00 0.00 H ATOM 228 HA LEU A 16 0.497 0.052 0.697 1.00 0.00 H ATOM 229 HB2 LEU A 16 2.912 -0.078 -0.722 1.00 0.00 H ATOM 230 HB3 LEU A 16 2.270 -1.717 -0.812 1.00 0.00 H ATOM 231 HG LEU A 16 0.015 -0.470 -1.393 1.00 0.00 H ATOM 232 HD11 LEU A 16 1.726 1.709 -1.131 1.00 0.00 H ATOM 233 HD12 LEU A 16 1.626 1.465 -2.876 1.00 0.00 H ATOM 234 HD13 LEU A 16 0.156 1.720 -1.935 1.00 0.00 H ATOM 235 HD21 LEU A 16 1.411 -2.004 -2.840 1.00 0.00 H ATOM 236 HD22 LEU A 16 0.527 -0.766 -3.731 1.00 0.00 H ATOM 237 HD23 LEU A 16 2.255 -0.575 -3.429 1.00 0.00 H ATOM 238 N GLU A 17 2.104 -2.289 2.223 1.00 0.00 N ATOM 239 CA GLU A 17 1.965 -3.591 2.921 1.00 0.00 C ATOM 240 C GLU A 17 0.660 -3.617 3.705 1.00 0.00 C ATOM 241 O GLU A 17 -0.020 -4.625 3.781 1.00 0.00 O ATOM 242 CB GLU A 17 3.149 -3.628 3.881 1.00 0.00 C ATOM 243 CG GLU A 17 3.593 -5.071 4.114 1.00 0.00 C ATOM 244 CD GLU A 17 2.369 -5.958 4.351 1.00 0.00 C ATOM 245 OE1 GLU A 17 1.850 -5.935 5.455 1.00 0.00 O ATOM 246 OE2 GLU A 17 1.972 -6.646 3.425 1.00 0.00 O ATOM 247 H GLU A 17 2.891 -1.730 2.391 1.00 0.00 H ATOM 248 HA GLU A 17 2.018 -4.413 2.226 1.00 0.00 H ATOM 249 HB2 GLU A 17 3.962 -3.064 3.459 1.00 0.00 H ATOM 250 HB3 GLU A 17 2.858 -3.188 4.824 1.00 0.00 H ATOM 251 HG2 GLU A 17 4.137 -5.427 3.251 1.00 0.00 H ATOM 252 HG3 GLU A 17 4.232 -5.104 4.983 1.00 0.00 H ATOM 253 N ASN A 18 0.305 -2.508 4.295 1.00 0.00 N ATOM 254 CA ASN A 18 -0.955 -2.452 5.094 1.00 0.00 C ATOM 255 C ASN A 18 -2.203 -2.541 4.200 1.00 0.00 C ATOM 256 O ASN A 18 -3.208 -1.916 4.475 1.00 0.00 O ATOM 257 CB ASN A 18 -0.908 -1.095 5.796 1.00 0.00 C ATOM 258 CG ASN A 18 0.278 -1.059 6.762 1.00 0.00 C ATOM 259 OD1 ASN A 18 1.311 -1.644 6.497 1.00 0.00 O ATOM 260 ND2 ASN A 18 0.175 -0.392 7.879 1.00 0.00 N ATOM 261 H ASN A 18 0.874 -1.715 4.219 1.00 0.00 H ATOM 262 HA ASN A 18 -0.967 -3.240 5.830 1.00 0.00 H ATOM 263 HB2 ASN A 18 -0.798 -0.313 5.061 1.00 0.00 H ATOM 264 HB3 ASN A 18 -1.824 -0.945 6.348 1.00 0.00 H ATOM 265 HD21 ASN A 18 -0.657 0.080 8.094 1.00 0.00 H ATOM 266 HD22 ASN A 18 0.930 -0.363 8.505 1.00 0.00 H ATOM 267 N TYR A 19 -2.166 -3.309 3.142 1.00 0.00 N ATOM 268 CA TYR A 19 -3.368 -3.416 2.270 1.00 0.00 C ATOM 269 C TYR A 19 -3.664 -4.887 1.938 1.00 0.00 C ATOM 270 O TYR A 19 -4.780 -5.239 1.614 1.00 0.00 O ATOM 271 CB TYR A 19 -3.026 -2.602 1.020 1.00 0.00 C ATOM 272 CG TYR A 19 -3.094 -1.133 1.380 1.00 0.00 C ATOM 273 CD1 TYR A 19 -4.341 -0.518 1.567 1.00 0.00 C ATOM 274 CD2 TYR A 19 -1.917 -0.393 1.563 1.00 0.00 C ATOM 275 CE1 TYR A 19 -4.408 0.832 1.930 1.00 0.00 C ATOM 276 CE2 TYR A 19 -1.986 0.954 1.934 1.00 0.00 C ATOM 277 CZ TYR A 19 -3.229 1.566 2.121 1.00 0.00 C ATOM 278 OH TYR A 19 -3.295 2.894 2.488 1.00 0.00 O ATOM 279 H TYR A 19 -1.360 -3.813 2.923 1.00 0.00 H ATOM 280 HA TYR A 19 -4.219 -2.976 2.765 1.00 0.00 H ATOM 281 HB2 TYR A 19 -2.029 -2.851 0.683 1.00 0.00 H ATOM 282 HB3 TYR A 19 -3.739 -2.816 0.238 1.00 0.00 H ATOM 283 HD1 TYR A 19 -5.249 -1.079 1.416 1.00 0.00 H ATOM 284 HD2 TYR A 19 -0.957 -0.858 1.418 1.00 0.00 H ATOM 285 HE1 TYR A 19 -5.369 1.307 2.065 1.00 0.00 H ATOM 286 HE2 TYR A 19 -1.079 1.524 2.067 1.00 0.00 H ATOM 287 HH TYR A 19 -4.055 3.005 3.064 1.00 0.00 H ATOM 288 N CYS A 20 -2.688 -5.757 2.041 1.00 0.00 N ATOM 289 CA CYS A 20 -2.952 -7.199 1.749 1.00 0.00 C ATOM 290 C CYS A 20 -3.189 -7.972 3.051 1.00 0.00 C ATOM 291 O CYS A 20 -4.272 -8.465 3.295 1.00 0.00 O ATOM 292 CB CYS A 20 -1.717 -7.746 1.012 1.00 0.00 C ATOM 293 SG CYS A 20 -0.182 -6.966 1.591 1.00 0.00 S ATOM 294 H CYS A 20 -1.802 -5.469 2.317 1.00 0.00 H ATOM 295 HA CYS A 20 -3.818 -7.288 1.113 1.00 0.00 H ATOM 296 HB2 CYS A 20 -1.651 -8.810 1.175 1.00 0.00 H ATOM 297 HB3 CYS A 20 -1.832 -7.558 -0.047 1.00 0.00 H ATOM 298 N ASN A 21 -2.193 -8.084 3.889 1.00 0.00 N ATOM 299 CA ASN A 21 -2.381 -8.829 5.167 1.00 0.00 C ATOM 300 C ASN A 21 -3.238 -8.011 6.137 1.00 0.00 C ATOM 301 O ASN A 21 -3.396 -6.824 5.899 1.00 0.00 O ATOM 302 CB ASN A 21 -0.971 -9.023 5.724 1.00 0.00 C ATOM 303 CG ASN A 21 -0.438 -10.392 5.299 1.00 0.00 C ATOM 304 OD1 ASN A 21 0.464 -10.480 4.490 1.00 0.00 O ATOM 305 ND2 ASN A 21 -0.961 -11.473 5.811 1.00 0.00 N ATOM 306 OXT ASN A 21 -3.720 -8.585 7.098 1.00 0.00 O ATOM 307 H ASN A 21 -1.326 -7.682 3.680 1.00 0.00 H ATOM 308 HA ASN A 21 -2.837 -9.789 4.979 1.00 0.00 H ATOM 309 HB2 ASN A 21 -0.322 -8.249 5.341 1.00 0.00 H ATOM 310 HB3 ASN A 21 -0.998 -8.968 6.803 1.00 0.00 H ATOM 311 HD21 ASN A 21 -1.691 -11.404 6.463 1.00 0.00 H ATOM 312 HD22 ASN A 21 -0.626 -12.354 5.544 1.00 0.00 H TER 313 ASN A 21 ATOM 314 N PHE B 1 13.733 -2.896 -4.383 1.00 0.00 N ATOM 315 CA PHE B 1 13.090 -1.788 -3.619 1.00 0.00 C ATOM 316 C PHE B 1 12.573 -0.716 -4.581 1.00 0.00 C ATOM 317 O PHE B 1 12.994 -0.634 -5.717 1.00 0.00 O ATOM 318 CB PHE B 1 14.200 -1.222 -2.734 1.00 0.00 C ATOM 319 CG PHE B 1 13.594 -0.590 -1.504 1.00 0.00 C ATOM 320 CD1 PHE B 1 12.963 0.657 -1.597 1.00 0.00 C ATOM 321 CD2 PHE B 1 13.661 -1.250 -0.270 1.00 0.00 C ATOM 322 CE1 PHE B 1 12.400 1.246 -0.457 1.00 0.00 C ATOM 323 CE2 PHE B 1 13.099 -0.663 0.870 1.00 0.00 C ATOM 324 CZ PHE B 1 12.468 0.585 0.777 1.00 0.00 C ATOM 325 H1 PHE B 1 13.054 -3.280 -5.072 1.00 0.00 H ATOM 326 H2 PHE B 1 14.569 -2.533 -4.884 1.00 0.00 H ATOM 327 H3 PHE B 1 14.024 -3.648 -3.726 1.00 0.00 H ATOM 328 HA PHE B 1 12.287 -2.166 -3.006 1.00 0.00 H ATOM 329 HB2 PHE B 1 14.866 -2.022 -2.438 1.00 0.00 H ATOM 330 HB3 PHE B 1 14.755 -0.477 -3.284 1.00 0.00 H ATOM 331 HD1 PHE B 1 12.910 1.166 -2.549 1.00 0.00 H ATOM 332 HD2 PHE B 1 14.147 -2.212 -0.199 1.00 0.00 H ATOM 333 HE1 PHE B 1 11.913 2.208 -0.529 1.00 0.00 H ATOM 334 HE2 PHE B 1 13.152 -1.171 1.821 1.00 0.00 H ATOM 335 HZ PHE B 1 12.033 1.038 1.656 1.00 0.00 H ATOM 336 N VAL B 2 11.664 0.107 -4.135 1.00 0.00 N ATOM 337 CA VAL B 2 11.121 1.171 -5.021 1.00 0.00 C ATOM 338 C VAL B 2 10.791 2.417 -4.195 1.00 0.00 C ATOM 339 O VAL B 2 10.525 2.341 -3.012 1.00 0.00 O ATOM 340 CB VAL B 2 9.850 0.577 -5.637 1.00 0.00 C ATOM 341 CG1 VAL B 2 10.227 -0.517 -6.641 1.00 0.00 C ATOM 342 CG2 VAL B 2 8.979 -0.025 -4.533 1.00 0.00 C ATOM 343 H VAL B 2 11.338 0.029 -3.217 1.00 0.00 H ATOM 344 HA VAL B 2 11.830 1.412 -5.798 1.00 0.00 H ATOM 345 HB VAL B 2 9.301 1.356 -6.147 1.00 0.00 H ATOM 346 HG11 VAL B 2 11.001 -1.141 -6.223 1.00 0.00 H ATOM 347 HG12 VAL B 2 9.359 -1.121 -6.859 1.00 0.00 H ATOM 348 HG13 VAL B 2 10.587 -0.062 -7.553 1.00 0.00 H ATOM 349 HG21 VAL B 2 8.744 0.735 -3.803 1.00 0.00 H ATOM 350 HG22 VAL B 2 8.064 -0.405 -4.964 1.00 0.00 H ATOM 351 HG23 VAL B 2 9.513 -0.832 -4.053 1.00 0.00 H ATOM 352 N ASN B 3 10.815 3.560 -4.812 1.00 0.00 N ATOM 353 CA ASN B 3 10.511 4.822 -4.079 1.00 0.00 C ATOM 354 C ASN B 3 9.982 5.870 -5.060 1.00 0.00 C ATOM 355 O ASN B 3 10.647 6.839 -5.369 1.00 0.00 O ATOM 356 CB ASN B 3 11.849 5.267 -3.486 1.00 0.00 C ATOM 357 CG ASN B 3 12.950 5.120 -4.539 1.00 0.00 C ATOM 358 OD1 ASN B 3 12.957 5.825 -5.529 1.00 0.00 O ATOM 359 ND2 ASN B 3 13.884 4.224 -4.369 1.00 0.00 N ATOM 360 H ASN B 3 11.037 3.588 -5.764 1.00 0.00 H ATOM 361 HA ASN B 3 9.796 4.642 -3.292 1.00 0.00 H ATOM 362 HB2 ASN B 3 11.781 6.300 -3.177 1.00 0.00 H ATOM 363 HB3 ASN B 3 12.087 4.651 -2.632 1.00 0.00 H ATOM 364 HD21 ASN B 3 13.878 3.654 -3.573 1.00 0.00 H ATOM 365 HD22 ASN B 3 14.593 4.122 -5.040 1.00 0.00 H ATOM 366 N GLN B 4 8.797 5.674 -5.568 1.00 0.00 N ATOM 367 CA GLN B 4 8.235 6.644 -6.544 1.00 0.00 C ATOM 368 C GLN B 4 6.706 6.698 -6.416 1.00 0.00 C ATOM 369 O GLN B 4 6.135 6.190 -5.461 1.00 0.00 O ATOM 370 CB GLN B 4 8.661 6.079 -7.904 1.00 0.00 C ATOM 371 CG GLN B 4 8.570 7.171 -8.970 1.00 0.00 C ATOM 372 CD GLN B 4 9.829 7.142 -9.839 1.00 0.00 C ATOM 373 OE1 GLN B 4 10.886 7.561 -9.409 1.00 0.00 O ATOM 374 NE2 GLN B 4 9.763 6.662 -11.050 1.00 0.00 N ATOM 375 H GLN B 4 8.281 4.879 -5.319 1.00 0.00 H ATOM 376 HA GLN B 4 8.666 7.620 -6.399 1.00 0.00 H ATOM 377 HB2 GLN B 4 9.680 5.729 -7.837 1.00 0.00 H ATOM 378 HB3 GLN B 4 8.018 5.253 -8.174 1.00 0.00 H ATOM 379 HG2 GLN B 4 7.700 7.001 -9.588 1.00 0.00 H ATOM 380 HG3 GLN B 4 8.488 8.136 -8.491 1.00 0.00 H ATOM 381 HE21 GLN B 4 8.911 6.324 -11.398 1.00 0.00 H ATOM 382 HE22 GLN B 4 10.565 6.641 -11.613 1.00 0.00 H ATOM 383 N HIS B 5 6.034 7.308 -7.363 1.00 0.00 N ATOM 384 CA HIS B 5 4.549 7.376 -7.287 1.00 0.00 C ATOM 385 C HIS B 5 3.941 6.237 -8.124 1.00 0.00 C ATOM 386 O HIS B 5 4.337 6.002 -9.248 1.00 0.00 O ATOM 387 CB HIS B 5 4.122 8.746 -7.854 1.00 0.00 C ATOM 388 CG HIS B 5 5.220 9.766 -7.689 1.00 0.00 C ATOM 389 ND1 HIS B 5 5.195 10.709 -6.674 1.00 0.00 N ATOM 390 CD2 HIS B 5 6.364 10.017 -8.406 1.00 0.00 C ATOM 391 CE1 HIS B 5 6.290 11.477 -6.805 1.00 0.00 C ATOM 392 NE2 HIS B 5 7.038 11.099 -7.846 1.00 0.00 N ATOM 393 H HIS B 5 6.504 7.714 -8.117 1.00 0.00 H ATOM 394 HA HIS B 5 4.232 7.289 -6.260 1.00 0.00 H ATOM 395 HB2 HIS B 5 3.876 8.644 -8.898 1.00 0.00 H ATOM 396 HB3 HIS B 5 3.247 9.092 -7.324 1.00 0.00 H ATOM 397 HD1 HIS B 5 4.504 10.799 -5.985 1.00 0.00 H ATOM 398 HD2 HIS B 5 6.690 9.460 -9.273 1.00 0.00 H ATOM 399 HE1 HIS B 5 6.533 12.301 -6.150 1.00 0.00 H ATOM 400 N LEU B 6 3.008 5.507 -7.569 1.00 0.00 N ATOM 401 CA LEU B 6 2.406 4.359 -8.314 1.00 0.00 C ATOM 402 C LEU B 6 0.911 4.520 -8.621 1.00 0.00 C ATOM 403 O LEU B 6 0.198 3.540 -8.635 1.00 0.00 O ATOM 404 CB LEU B 6 2.562 3.168 -7.371 1.00 0.00 C ATOM 405 CG LEU B 6 4.031 2.862 -7.129 1.00 0.00 C ATOM 406 CD1 LEU B 6 4.212 2.357 -5.696 1.00 0.00 C ATOM 407 CD2 LEU B 6 4.463 1.776 -8.097 1.00 0.00 C ATOM 408 H LEU B 6 2.733 5.694 -6.657 1.00 0.00 H ATOM 409 HA LEU B 6 2.946 4.191 -9.216 1.00 0.00 H ATOM 410 HB2 LEU B 6 2.089 3.393 -6.430 1.00 0.00 H ATOM 411 HB3 LEU B 6 2.085 2.306 -7.807 1.00 0.00 H ATOM 412 HG LEU B 6 4.626 3.751 -7.284 1.00 0.00 H ATOM 413 HD11 LEU B 6 3.242 2.176 -5.256 1.00 0.00 H ATOM 414 HD12 LEU B 6 4.777 1.435 -5.709 1.00 0.00 H ATOM 415 HD13 LEU B 6 4.741 3.096 -5.116 1.00 0.00 H ATOM 416 HD21 LEU B 6 3.831 1.808 -8.971 1.00 0.00 H ATOM 417 HD22 LEU B 6 5.489 1.936 -8.382 1.00 0.00 H ATOM 418 HD23 LEU B 6 4.366 0.814 -7.616 1.00 0.00 H ATOM 419 N CYS B 7 0.430 5.705 -8.874 1.00 0.00 N ATOM 420 CA CYS B 7 -1.033 5.889 -9.177 1.00 0.00 C ATOM 421 C CYS B 7 -1.758 4.566 -9.471 1.00 0.00 C ATOM 422 O CYS B 7 -1.379 3.809 -10.342 1.00 0.00 O ATOM 423 CB CYS B 7 -1.093 6.827 -10.375 1.00 0.00 C ATOM 424 SG CYS B 7 -2.553 7.868 -10.212 1.00 0.00 S ATOM 425 H CYS B 7 1.024 6.482 -8.864 1.00 0.00 H ATOM 426 HA CYS B 7 -1.505 6.359 -8.342 1.00 0.00 H ATOM 427 HB2 CYS B 7 -0.209 7.451 -10.393 1.00 0.00 H ATOM 428 HB3 CYS B 7 -1.158 6.258 -11.285 1.00 0.00 H ATOM 429 N GLY B 8 -2.792 4.309 -8.708 1.00 0.00 N ATOM 430 CA GLY B 8 -3.619 3.060 -8.824 1.00 0.00 C ATOM 431 C GLY B 8 -3.091 2.060 -9.868 1.00 0.00 C ATOM 432 O GLY B 8 -2.634 0.994 -9.510 1.00 0.00 O ATOM 433 H GLY B 8 -3.031 4.959 -8.015 1.00 0.00 H ATOM 434 HA2 GLY B 8 -3.615 2.569 -7.866 1.00 0.00 H ATOM 435 HA3 GLY B 8 -4.634 3.329 -9.060 1.00 0.00 H ATOM 436 N SER B 9 -3.156 2.349 -11.147 1.00 0.00 N ATOM 437 CA SER B 9 -2.662 1.346 -12.126 1.00 0.00 C ATOM 438 C SER B 9 -1.269 0.875 -11.729 1.00 0.00 C ATOM 439 O SER B 9 -0.941 -0.303 -11.801 1.00 0.00 O ATOM 440 CB SER B 9 -2.624 2.074 -13.470 1.00 0.00 C ATOM 441 OG SER B 9 -1.788 3.219 -13.358 1.00 0.00 O ATOM 442 H SER B 9 -3.530 3.197 -11.466 1.00 0.00 H ATOM 443 HA SER B 9 -3.338 0.515 -12.175 1.00 0.00 H ATOM 444 HB2 SER B 9 -2.228 1.418 -14.226 1.00 0.00 H ATOM 445 HB3 SER B 9 -3.628 2.373 -13.745 1.00 0.00 H ATOM 446 HG SER B 9 -2.068 3.857 -14.019 1.00 0.00 H ATOM 447 N HIS B 10 -0.458 1.773 -11.267 1.00 0.00 N ATOM 448 CA HIS B 10 0.898 1.371 -10.843 1.00 0.00 C ATOM 449 C HIS B 10 0.769 0.675 -9.503 1.00 0.00 C ATOM 450 O HIS B 10 1.411 -0.319 -9.229 1.00 0.00 O ATOM 451 CB HIS B 10 1.689 2.668 -10.736 1.00 0.00 C ATOM 452 CG HIS B 10 2.554 2.837 -11.955 1.00 0.00 C ATOM 453 ND1 HIS B 10 2.200 3.670 -13.005 1.00 0.00 N ATOM 454 CD2 HIS B 10 3.764 2.289 -12.303 1.00 0.00 C ATOM 455 CE1 HIS B 10 3.178 3.600 -13.925 1.00 0.00 C ATOM 456 NE2 HIS B 10 4.156 2.772 -13.548 1.00 0.00 N ATOM 457 H HIS B 10 -0.756 2.704 -11.160 1.00 0.00 H ATOM 458 HA HIS B 10 1.345 0.721 -11.576 1.00 0.00 H ATOM 459 HB2 HIS B 10 1.005 3.498 -10.668 1.00 0.00 H ATOM 460 HB3 HIS B 10 2.308 2.634 -9.858 1.00 0.00 H ATOM 461 HD1 HIS B 10 1.385 4.211 -13.065 1.00 0.00 H ATOM 462 HD2 HIS B 10 4.326 1.590 -11.702 1.00 0.00 H ATOM 463 HE1 HIS B 10 3.174 4.146 -14.857 1.00 0.00 H ATOM 464 N LEU B 11 -0.086 1.193 -8.671 1.00 0.00 N ATOM 465 CA LEU B 11 -0.302 0.571 -7.344 1.00 0.00 C ATOM 466 C LEU B 11 -0.885 -0.815 -7.497 1.00 0.00 C ATOM 467 O LEU B 11 -0.401 -1.762 -6.911 1.00 0.00 O ATOM 468 CB LEU B 11 -1.314 1.443 -6.632 1.00 0.00 C ATOM 469 CG LEU B 11 -0.567 2.490 -5.822 1.00 0.00 C ATOM 470 CD1 LEU B 11 -1.562 3.362 -5.060 1.00 0.00 C ATOM 471 CD2 LEU B 11 0.334 1.763 -4.830 1.00 0.00 C ATOM 472 H LEU B 11 -0.592 1.996 -8.928 1.00 0.00 H ATOM 473 HA LEU B 11 0.618 0.540 -6.787 1.00 0.00 H ATOM 474 HB2 LEU B 11 -1.963 1.904 -7.356 1.00 0.00 H ATOM 475 HB3 LEU B 11 -1.904 0.832 -5.964 1.00 0.00 H ATOM 476 HG LEU B 11 0.030 3.103 -6.479 1.00 0.00 H ATOM 477 HD11 LEU B 11 -2.221 2.732 -4.483 1.00 0.00 H ATOM 478 HD12 LEU B 11 -1.024 4.023 -4.397 1.00 0.00 H ATOM 479 HD13 LEU B 11 -2.139 3.944 -5.761 1.00 0.00 H ATOM 480 HD21 LEU B 11 0.242 0.695 -4.977 1.00 0.00 H ATOM 481 HD22 LEU B 11 1.360 2.060 -4.987 1.00 0.00 H ATOM 482 HD23 LEU B 11 0.033 2.012 -3.826 1.00 0.00 H ATOM 483 N VAL B 12 -1.935 -0.963 -8.262 1.00 0.00 N ATOM 484 CA VAL B 12 -2.503 -2.307 -8.384 1.00 0.00 C ATOM 485 C VAL B 12 -1.372 -3.271 -8.744 1.00 0.00 C ATOM 486 O VAL B 12 -1.404 -4.433 -8.400 1.00 0.00 O ATOM 487 CB VAL B 12 -3.574 -2.207 -9.474 1.00 0.00 C ATOM 488 CG1 VAL B 12 -3.595 -3.474 -10.326 1.00 0.00 C ATOM 489 CG2 VAL B 12 -4.945 -2.020 -8.819 1.00 0.00 C ATOM 490 H VAL B 12 -2.345 -0.204 -8.738 1.00 0.00 H ATOM 491 HA VAL B 12 -2.949 -2.579 -7.447 1.00 0.00 H ATOM 492 HB VAL B 12 -3.360 -1.363 -10.096 1.00 0.00 H ATOM 493 HG11 VAL B 12 -3.557 -4.340 -9.682 1.00 0.00 H ATOM 494 HG12 VAL B 12 -4.503 -3.498 -10.910 1.00 0.00 H ATOM 495 HG13 VAL B 12 -2.740 -3.475 -10.985 1.00 0.00 H ATOM 496 HG21 VAL B 12 -4.922 -1.157 -8.171 1.00 0.00 H ATOM 497 HG22 VAL B 12 -5.694 -1.875 -9.585 1.00 0.00 H ATOM 498 HG23 VAL B 12 -5.190 -2.899 -8.239 1.00 0.00 H ATOM 499 N GLU B 13 -0.356 -2.785 -9.417 1.00 0.00 N ATOM 500 CA GLU B 13 0.780 -3.684 -9.765 1.00 0.00 C ATOM 501 C GLU B 13 1.868 -3.632 -8.681 1.00 0.00 C ATOM 502 O GLU B 13 2.738 -4.481 -8.628 1.00 0.00 O ATOM 503 CB GLU B 13 1.324 -3.163 -11.094 1.00 0.00 C ATOM 504 CG GLU B 13 2.638 -3.876 -11.422 1.00 0.00 C ATOM 505 CD GLU B 13 3.171 -3.374 -12.765 1.00 0.00 C ATOM 506 OE1 GLU B 13 2.400 -3.337 -13.710 1.00 0.00 O ATOM 507 OE2 GLU B 13 4.341 -3.034 -12.825 1.00 0.00 O ATOM 508 H GLU B 13 -0.338 -1.837 -9.675 1.00 0.00 H ATOM 509 HA GLU B 13 0.428 -4.689 -9.885 1.00 0.00 H ATOM 510 HB2 GLU B 13 0.605 -3.349 -11.878 1.00 0.00 H ATOM 511 HB3 GLU B 13 1.506 -2.107 -11.014 1.00 0.00 H ATOM 512 HG2 GLU B 13 3.362 -3.671 -10.647 1.00 0.00 H ATOM 513 HG3 GLU B 13 2.465 -4.939 -11.480 1.00 0.00 H ATOM 514 N ALA B 14 1.812 -2.670 -7.792 1.00 0.00 N ATOM 515 CA ALA B 14 2.836 -2.605 -6.713 1.00 0.00 C ATOM 516 C ALA B 14 2.225 -3.173 -5.448 1.00 0.00 C ATOM 517 O ALA B 14 2.908 -3.533 -4.515 1.00 0.00 O ATOM 518 CB ALA B 14 3.162 -1.119 -6.526 1.00 0.00 C ATOM 519 H ALA B 14 1.081 -2.014 -7.811 1.00 0.00 H ATOM 520 HA ALA B 14 3.722 -3.157 -6.992 1.00 0.00 H ATOM 521 HB1 ALA B 14 2.623 -0.534 -7.255 1.00 0.00 H ATOM 522 HB2 ALA B 14 2.870 -0.809 -5.531 1.00 0.00 H ATOM 523 HB3 ALA B 14 4.223 -0.961 -6.652 1.00 0.00 H ATOM 524 N LEU B 15 0.932 -3.257 -5.425 1.00 0.00 N ATOM 525 CA LEU B 15 0.243 -3.802 -4.244 1.00 0.00 C ATOM 526 C LEU B 15 0.042 -5.298 -4.459 1.00 0.00 C ATOM 527 O LEU B 15 -0.021 -6.072 -3.523 1.00 0.00 O ATOM 528 CB LEU B 15 -1.047 -2.994 -4.231 1.00 0.00 C ATOM 529 CG LEU B 15 -2.233 -3.816 -3.723 1.00 0.00 C ATOM 530 CD1 LEU B 15 -1.839 -4.612 -2.481 1.00 0.00 C ATOM 531 CD2 LEU B 15 -3.381 -2.871 -3.360 1.00 0.00 C ATOM 532 H LEU B 15 0.399 -2.959 -6.200 1.00 0.00 H ATOM 533 HA LEU B 15 0.818 -3.624 -3.352 1.00 0.00 H ATOM 534 HB2 LEU B 15 -0.909 -2.125 -3.623 1.00 0.00 H ATOM 535 HB3 LEU B 15 -1.244 -2.673 -5.224 1.00 0.00 H ATOM 536 HG LEU B 15 -2.558 -4.488 -4.505 1.00 0.00 H ATOM 537 HD11 LEU B 15 -0.802 -4.422 -2.244 1.00 0.00 H ATOM 538 HD12 LEU B 15 -2.459 -4.309 -1.650 1.00 0.00 H ATOM 539 HD13 LEU B 15 -1.982 -5.665 -2.670 1.00 0.00 H ATOM 540 HD21 LEU B 15 -2.988 -2.012 -2.835 1.00 0.00 H ATOM 541 HD22 LEU B 15 -3.875 -2.545 -4.262 1.00 0.00 H ATOM 542 HD23 LEU B 15 -4.087 -3.388 -2.728 1.00 0.00 H ATOM 543 N TYR B 16 0.018 -5.723 -5.694 1.00 0.00 N ATOM 544 CA TYR B 16 -0.096 -7.177 -5.964 1.00 0.00 C ATOM 545 C TYR B 16 1.303 -7.773 -5.867 1.00 0.00 C ATOM 546 O TYR B 16 1.500 -8.868 -5.378 1.00 0.00 O ATOM 547 CB TYR B 16 -0.625 -7.297 -7.409 1.00 0.00 C ATOM 548 CG TYR B 16 0.354 -8.083 -8.278 1.00 0.00 C ATOM 549 CD1 TYR B 16 0.602 -9.439 -8.006 1.00 0.00 C ATOM 550 CD2 TYR B 16 1.020 -7.456 -9.342 1.00 0.00 C ATOM 551 CE1 TYR B 16 1.504 -10.161 -8.798 1.00 0.00 C ATOM 552 CE2 TYR B 16 1.922 -8.180 -10.132 1.00 0.00 C ATOM 553 CZ TYR B 16 2.163 -9.532 -9.861 1.00 0.00 C ATOM 554 OH TYR B 16 3.053 -10.244 -10.640 1.00 0.00 O ATOM 555 H TYR B 16 0.127 -5.090 -6.440 1.00 0.00 H ATOM 556 HA TYR B 16 -0.772 -7.651 -5.269 1.00 0.00 H ATOM 557 HB2 TYR B 16 -1.575 -7.804 -7.402 1.00 0.00 H ATOM 558 HB3 TYR B 16 -0.756 -6.313 -7.818 1.00 0.00 H ATOM 559 HD1 TYR B 16 0.101 -9.927 -7.183 1.00 0.00 H ATOM 560 HD2 TYR B 16 0.845 -6.417 -9.548 1.00 0.00 H ATOM 561 HE1 TYR B 16 1.693 -11.203 -8.587 1.00 0.00 H ATOM 562 HE2 TYR B 16 2.430 -7.694 -10.952 1.00 0.00 H ATOM 563 HH TYR B 16 3.523 -9.619 -11.199 1.00 0.00 H ATOM 564 N LEU B 17 2.272 -7.064 -6.388 1.00 0.00 N ATOM 565 CA LEU B 17 3.649 -7.605 -6.384 1.00 0.00 C ATOM 566 C LEU B 17 4.168 -7.601 -4.969 1.00 0.00 C ATOM 567 O LEU B 17 4.982 -8.417 -4.586 1.00 0.00 O ATOM 568 CB LEU B 17 4.507 -6.610 -7.162 1.00 0.00 C ATOM 569 CG LEU B 17 5.342 -7.309 -8.254 1.00 0.00 C ATOM 570 CD1 LEU B 17 5.676 -8.748 -7.850 1.00 0.00 C ATOM 571 CD2 LEU B 17 4.549 -7.327 -9.564 1.00 0.00 C ATOM 572 H LEU B 17 2.081 -6.201 -6.810 1.00 0.00 H ATOM 573 HA LEU B 17 3.676 -8.583 -6.829 1.00 0.00 H ATOM 574 HB2 LEU B 17 3.891 -5.854 -7.569 1.00 0.00 H ATOM 575 HB3 LEU B 17 5.197 -6.141 -6.474 1.00 0.00 H ATOM 576 HG LEU B 17 6.261 -6.762 -8.403 1.00 0.00 H ATOM 577 HD11 LEU B 17 5.601 -8.846 -6.777 1.00 0.00 H ATOM 578 HD12 LEU B 17 4.976 -9.423 -8.322 1.00 0.00 H ATOM 579 HD13 LEU B 17 6.679 -8.989 -8.166 1.00 0.00 H ATOM 580 HD21 LEU B 17 3.679 -6.695 -9.468 1.00 0.00 H ATOM 581 HD22 LEU B 17 5.173 -6.961 -10.367 1.00 0.00 H ATOM 582 HD23 LEU B 17 4.237 -8.338 -9.783 1.00 0.00 H ATOM 583 N VAL B 18 3.752 -6.635 -4.197 1.00 0.00 N ATOM 584 CA VAL B 18 4.292 -6.557 -2.840 1.00 0.00 C ATOM 585 C VAL B 18 3.613 -7.586 -1.936 1.00 0.00 C ATOM 586 O VAL B 18 4.163 -8.029 -0.947 1.00 0.00 O ATOM 587 CB VAL B 18 4.023 -5.125 -2.361 1.00 0.00 C ATOM 588 CG1 VAL B 18 2.583 -4.997 -1.861 1.00 0.00 C ATOM 589 CG2 VAL B 18 4.984 -4.778 -1.222 1.00 0.00 C ATOM 590 H VAL B 18 3.122 -5.952 -4.526 1.00 0.00 H ATOM 591 HA VAL B 18 5.346 -6.726 -2.909 1.00 0.00 H ATOM 592 HB VAL B 18 4.177 -4.440 -3.180 1.00 0.00 H ATOM 593 HG11 VAL B 18 1.989 -5.805 -2.260 1.00 0.00 H ATOM 594 HG12 VAL B 18 2.574 -5.043 -0.782 1.00 0.00 H ATOM 595 HG13 VAL B 18 2.174 -4.052 -2.182 1.00 0.00 H ATOM 596 HG21 VAL B 18 6.001 -4.950 -1.542 1.00 0.00 H ATOM 597 HG22 VAL B 18 4.862 -3.738 -0.955 1.00 0.00 H ATOM 598 HG23 VAL B 18 4.766 -5.396 -0.364 1.00 0.00 H ATOM 599 N CYS B 19 2.414 -7.967 -2.279 1.00 0.00 N ATOM 600 CA CYS B 19 1.673 -8.966 -1.455 1.00 0.00 C ATOM 601 C CYS B 19 1.369 -10.208 -2.307 1.00 0.00 C ATOM 602 O CYS B 19 2.076 -11.193 -2.237 1.00 0.00 O ATOM 603 CB CYS B 19 0.399 -8.234 -1.014 1.00 0.00 C ATOM 604 SG CYS B 19 0.864 -6.744 -0.113 1.00 0.00 S ATOM 605 H CYS B 19 2.001 -7.594 -3.084 1.00 0.00 H ATOM 606 HA CYS B 19 2.256 -9.242 -0.590 1.00 0.00 H ATOM 607 HB2 CYS B 19 -0.188 -7.966 -1.879 1.00 0.00 H ATOM 608 HB3 CYS B 19 -0.190 -8.862 -0.352 1.00 0.00 H ATOM 609 N GLY B 20 0.348 -10.176 -3.125 1.00 0.00 N ATOM 610 CA GLY B 20 0.058 -11.361 -3.971 1.00 0.00 C ATOM 611 C GLY B 20 -0.213 -12.577 -3.084 1.00 0.00 C ATOM 612 O GLY B 20 0.302 -12.689 -1.990 1.00 0.00 O ATOM 613 H GLY B 20 -0.217 -9.382 -3.195 1.00 0.00 H ATOM 614 HA2 GLY B 20 -0.808 -11.160 -4.585 1.00 0.00 H ATOM 615 HA3 GLY B 20 0.909 -11.561 -4.603 1.00 0.00 H ATOM 616 N GLU B 21 -1.028 -13.482 -3.553 1.00 0.00 N ATOM 617 CA GLU B 21 -1.352 -14.700 -2.751 1.00 0.00 C ATOM 618 C GLU B 21 -2.001 -14.313 -1.417 1.00 0.00 C ATOM 619 O GLU B 21 -2.178 -15.139 -0.544 1.00 0.00 O ATOM 620 CB GLU B 21 -0.010 -15.396 -2.513 1.00 0.00 C ATOM 621 CG GLU B 21 0.254 -16.400 -3.637 1.00 0.00 C ATOM 622 CD GLU B 21 -0.549 -17.677 -3.388 1.00 0.00 C ATOM 623 OE1 GLU B 21 -1.279 -17.715 -2.410 1.00 0.00 O ATOM 624 OE2 GLU B 21 -0.420 -18.597 -4.179 1.00 0.00 O ATOM 625 H GLU B 21 -1.429 -13.358 -4.437 1.00 0.00 H ATOM 626 HA GLU B 21 -2.006 -15.351 -3.310 1.00 0.00 H ATOM 627 HB2 GLU B 21 0.779 -14.659 -2.493 1.00 0.00 H ATOM 628 HB3 GLU B 21 -0.040 -15.917 -1.568 1.00 0.00 H ATOM 629 HG2 GLU B 21 -0.041 -15.966 -4.582 1.00 0.00 H ATOM 630 HG3 GLU B 21 1.307 -16.638 -3.665 1.00 0.00 H ATOM 631 N ARG B 22 -2.358 -13.069 -1.250 1.00 0.00 N ATOM 632 CA ARG B 22 -2.995 -12.644 0.031 1.00 0.00 C ATOM 633 C ARG B 22 -4.107 -11.621 -0.232 1.00 0.00 C ATOM 634 O ARG B 22 -4.724 -11.115 0.685 1.00 0.00 O ATOM 635 CB ARG B 22 -1.866 -12.013 0.846 1.00 0.00 C ATOM 636 CG ARG B 22 -1.003 -13.116 1.466 1.00 0.00 C ATOM 637 CD ARG B 22 -1.815 -13.868 2.522 1.00 0.00 C ATOM 638 NE ARG B 22 -0.830 -14.753 3.207 1.00 0.00 N ATOM 639 CZ ARG B 22 -1.246 -15.784 3.892 1.00 0.00 C ATOM 640 NH1 ARG B 22 -1.971 -15.607 4.963 1.00 0.00 N ATOM 641 NH2 ARG B 22 -0.940 -16.992 3.504 1.00 0.00 N ATOM 642 H ARG B 22 -2.209 -12.415 -1.962 1.00 0.00 H ATOM 643 HA ARG B 22 -3.390 -13.501 0.554 1.00 0.00 H ATOM 644 HB2 ARG B 22 -1.257 -11.398 0.200 1.00 0.00 H ATOM 645 HB3 ARG B 22 -2.286 -11.404 1.632 1.00 0.00 H ATOM 646 HG2 ARG B 22 -0.689 -13.804 0.694 1.00 0.00 H ATOM 647 HG3 ARG B 22 -0.134 -12.675 1.929 1.00 0.00 H ATOM 648 HD2 ARG B 22 -2.250 -13.172 3.225 1.00 0.00 H ATOM 649 HD3 ARG B 22 -2.583 -14.463 2.055 1.00 0.00 H ATOM 650 HE ARG B 22 0.128 -14.560 3.145 1.00 0.00 H ATOM 651 HH11 ARG B 22 -2.207 -14.682 5.260 1.00 0.00 H ATOM 652 HH12 ARG B 22 -2.287 -16.397 5.489 1.00 0.00 H ATOM 653 HH21 ARG B 22 -0.386 -17.127 2.683 1.00 0.00 H ATOM 654 HH22 ARG B 22 -1.258 -17.781 4.028 1.00 0.00 H ATOM 655 N GLY B 23 -4.373 -11.314 -1.476 1.00 0.00 N ATOM 656 CA GLY B 23 -5.446 -10.327 -1.789 1.00 0.00 C ATOM 657 C GLY B 23 -5.257 -9.073 -0.935 1.00 0.00 C ATOM 658 O GLY B 23 -4.340 -8.981 -0.142 1.00 0.00 O ATOM 659 H GLY B 23 -3.872 -11.734 -2.203 1.00 0.00 H ATOM 660 HA2 GLY B 23 -5.397 -10.063 -2.835 1.00 0.00 H ATOM 661 HA3 GLY B 23 -6.409 -10.764 -1.573 1.00 0.00 H ATOM 662 N PHE B 24 -6.120 -8.106 -1.088 1.00 0.00 N ATOM 663 CA PHE B 24 -5.993 -6.860 -0.281 1.00 0.00 C ATOM 664 C PHE B 24 -7.266 -6.023 -0.399 1.00 0.00 C ATOM 665 O PHE B 24 -8.307 -6.508 -0.794 1.00 0.00 O ATOM 666 CB PHE B 24 -4.799 -6.106 -0.875 1.00 0.00 C ATOM 667 CG PHE B 24 -4.934 -6.011 -2.376 1.00 0.00 C ATOM 668 CD1 PHE B 24 -5.951 -5.232 -2.944 1.00 0.00 C ATOM 669 CD2 PHE B 24 -4.031 -6.693 -3.202 1.00 0.00 C ATOM 670 CE1 PHE B 24 -6.066 -5.138 -4.339 1.00 0.00 C ATOM 671 CE2 PHE B 24 -4.145 -6.598 -4.595 1.00 0.00 C ATOM 672 CZ PHE B 24 -5.164 -5.821 -5.163 1.00 0.00 C ATOM 673 H PHE B 24 -6.853 -8.200 -1.731 1.00 0.00 H ATOM 674 HA PHE B 24 -5.797 -7.102 0.752 1.00 0.00 H ATOM 675 HB2 PHE B 24 -4.762 -5.111 -0.458 1.00 0.00 H ATOM 676 HB3 PHE B 24 -3.888 -6.629 -0.630 1.00 0.00 H ATOM 677 HD1 PHE B 24 -6.648 -4.705 -2.307 1.00 0.00 H ATOM 678 HD2 PHE B 24 -3.246 -7.293 -2.764 1.00 0.00 H ATOM 679 HE1 PHE B 24 -6.850 -4.538 -4.779 1.00 0.00 H ATOM 680 HE2 PHE B 24 -3.448 -7.122 -5.231 1.00 0.00 H ATOM 681 HZ PHE B 24 -5.252 -5.748 -6.237 1.00 0.00 H ATOM 682 N PHE B 25 -7.188 -4.769 -0.056 1.00 0.00 N ATOM 683 CA PHE B 25 -8.391 -3.896 -0.146 1.00 0.00 C ATOM 684 C PHE B 25 -7.999 -2.511 -0.668 1.00 0.00 C ATOM 685 O PHE B 25 -7.678 -1.619 0.091 1.00 0.00 O ATOM 686 CB PHE B 25 -8.925 -3.802 1.284 1.00 0.00 C ATOM 687 CG PHE B 25 -10.325 -3.236 1.259 1.00 0.00 C ATOM 688 CD1 PHE B 25 -11.364 -3.962 0.663 1.00 0.00 C ATOM 689 CD2 PHE B 25 -10.585 -1.981 1.828 1.00 0.00 C ATOM 690 CE1 PHE B 25 -12.662 -3.434 0.634 1.00 0.00 C ATOM 691 CE2 PHE B 25 -11.882 -1.455 1.802 1.00 0.00 C ATOM 692 CZ PHE B 25 -12.921 -2.181 1.204 1.00 0.00 C ATOM 693 H PHE B 25 -6.337 -4.401 0.260 1.00 0.00 H ATOM 694 HA PHE B 25 -9.134 -4.343 -0.788 1.00 0.00 H ATOM 695 HB2 PHE B 25 -8.940 -4.787 1.726 1.00 0.00 H ATOM 696 HB3 PHE B 25 -8.285 -3.155 1.866 1.00 0.00 H ATOM 697 HD1 PHE B 25 -11.165 -4.929 0.223 1.00 0.00 H ATOM 698 HD2 PHE B 25 -9.784 -1.422 2.290 1.00 0.00 H ATOM 699 HE1 PHE B 25 -13.463 -3.995 0.175 1.00 0.00 H ATOM 700 HE2 PHE B 25 -12.083 -0.489 2.242 1.00 0.00 H ATOM 701 HZ PHE B 25 -13.920 -1.773 1.179 1.00 0.00 H ATOM 702 N TYR B 26 -8.023 -2.325 -1.960 1.00 0.00 N ATOM 703 CA TYR B 26 -7.651 -0.998 -2.528 1.00 0.00 C ATOM 704 C TYR B 26 -8.505 -0.691 -3.766 1.00 0.00 C ATOM 705 O TYR B 26 -8.663 -1.517 -4.643 1.00 0.00 O ATOM 706 CB TYR B 26 -6.173 -1.125 -2.911 1.00 0.00 C ATOM 707 CG TYR B 26 -5.795 0.029 -3.805 1.00 0.00 C ATOM 708 CD1 TYR B 26 -6.218 1.323 -3.481 1.00 0.00 C ATOM 709 CD2 TYR B 26 -5.036 -0.191 -4.962 1.00 0.00 C ATOM 710 CE1 TYR B 26 -5.883 2.400 -4.311 1.00 0.00 C ATOM 711 CE2 TYR B 26 -4.702 0.886 -5.796 1.00 0.00 C ATOM 712 CZ TYR B 26 -5.126 2.182 -5.469 1.00 0.00 C ATOM 713 OH TYR B 26 -4.805 3.243 -6.291 1.00 0.00 O ATOM 714 H TYR B 26 -8.287 -3.057 -2.555 1.00 0.00 H ATOM 715 HA TYR B 26 -7.774 -0.225 -1.787 1.00 0.00 H ATOM 716 HB2 TYR B 26 -5.567 -1.106 -2.017 1.00 0.00 H ATOM 717 HB3 TYR B 26 -6.014 -2.056 -3.436 1.00 0.00 H ATOM 718 HD1 TYR B 26 -6.798 1.490 -2.585 1.00 0.00 H ATOM 719 HD2 TYR B 26 -4.707 -1.190 -5.212 1.00 0.00 H ATOM 720 HE1 TYR B 26 -6.209 3.398 -4.058 1.00 0.00 H ATOM 721 HE2 TYR B 26 -4.117 0.719 -6.688 1.00 0.00 H ATOM 722 HH TYR B 26 -3.936 3.561 -6.041 1.00 0.00 H ATOM 723 N THR B 27 -9.054 0.492 -3.844 1.00 0.00 N ATOM 724 CA THR B 27 -9.892 0.850 -5.028 1.00 0.00 C ATOM 725 C THR B 27 -9.784 2.366 -5.286 1.00 0.00 C ATOM 726 O THR B 27 -8.882 2.996 -4.769 1.00 0.00 O ATOM 727 CB THR B 27 -11.331 0.450 -4.659 1.00 0.00 C ATOM 728 OG1 THR B 27 -11.994 1.560 -4.072 1.00 0.00 O ATOM 729 CG2 THR B 27 -11.333 -0.721 -3.668 1.00 0.00 C ATOM 730 H THR B 27 -8.912 1.146 -3.127 1.00 0.00 H ATOM 731 HA THR B 27 -9.555 0.292 -5.889 1.00 0.00 H ATOM 732 HB THR B 27 -11.856 0.152 -5.554 1.00 0.00 H ATOM 733 HG1 THR B 27 -11.454 1.879 -3.346 1.00 0.00 H ATOM 734 HG21 THR B 27 -10.805 -1.560 -4.098 1.00 0.00 H ATOM 735 HG22 THR B 27 -10.844 -0.419 -2.752 1.00 0.00 H ATOM 736 HG23 THR B 27 -12.351 -1.009 -3.454 1.00 0.00 H ATOM 737 N PRO B 28 -10.690 2.927 -6.068 1.00 0.00 N ATOM 738 CA PRO B 28 -10.621 4.386 -6.338 1.00 0.00 C ATOM 739 C PRO B 28 -11.098 5.172 -5.118 1.00 0.00 C ATOM 740 O PRO B 28 -11.797 4.657 -4.269 1.00 0.00 O ATOM 741 CB PRO B 28 -11.577 4.588 -7.510 1.00 0.00 C ATOM 742 CG PRO B 28 -12.543 3.460 -7.420 1.00 0.00 C ATOM 743 CD PRO B 28 -11.834 2.302 -6.763 1.00 0.00 C ATOM 744 HA PRO B 28 -9.622 4.677 -6.618 1.00 0.00 H ATOM 745 HB2 PRO B 28 -12.098 5.532 -7.420 1.00 0.00 H ATOM 746 HB3 PRO B 28 -11.042 4.541 -8.445 1.00 0.00 H ATOM 747 HG2 PRO B 28 -13.399 3.756 -6.827 1.00 0.00 H ATOM 748 HG3 PRO B 28 -12.859 3.179 -8.406 1.00 0.00 H ATOM 749 HD2 PRO B 28 -12.499 1.817 -6.065 1.00 0.00 H ATOM 750 HD3 PRO B 28 -11.490 1.608 -7.512 1.00 0.00 H ATOM 751 N LYS B 29 -10.730 6.418 -5.028 1.00 0.00 N ATOM 752 CA LYS B 29 -11.168 7.244 -3.865 1.00 0.00 C ATOM 753 C LYS B 29 -10.590 6.682 -2.565 1.00 0.00 C ATOM 754 O LYS B 29 -10.623 5.492 -2.323 1.00 0.00 O ATOM 755 CB LYS B 29 -12.695 7.139 -3.865 1.00 0.00 C ATOM 756 CG LYS B 29 -13.285 8.243 -2.985 1.00 0.00 C ATOM 757 CD LYS B 29 -14.561 7.731 -2.311 1.00 0.00 C ATOM 758 CE LYS B 29 -14.204 6.631 -1.306 1.00 0.00 C ATOM 759 NZ LYS B 29 -15.369 5.702 -1.318 1.00 0.00 N ATOM 760 H LYS B 29 -10.168 6.812 -5.725 1.00 0.00 H ATOM 761 HA LYS B 29 -10.869 8.271 -4.000 1.00 0.00 H ATOM 762 HB2 LYS B 29 -13.063 7.246 -4.874 1.00 0.00 H ATOM 763 HB3 LYS B 29 -12.989 6.177 -3.474 1.00 0.00 H ATOM 764 HG2 LYS B 29 -12.566 8.525 -2.232 1.00 0.00 H ATOM 765 HG3 LYS B 29 -13.523 9.101 -3.596 1.00 0.00 H ATOM 766 HD2 LYS B 29 -15.046 8.546 -1.795 1.00 0.00 H ATOM 767 HD3 LYS B 29 -15.227 7.330 -3.059 1.00 0.00 H ATOM 768 HE2 LYS B 29 -13.306 6.115 -1.620 1.00 0.00 H ATOM 769 HE3 LYS B 29 -14.075 7.049 -0.321 1.00 0.00 H ATOM 770 HZ1 LYS B 29 -16.251 6.251 -1.347 1.00 0.00 H ATOM 771 HZ2 LYS B 29 -15.314 5.087 -2.155 1.00 0.00 H ATOM 772 HZ3 LYS B 29 -15.356 5.118 -0.457 1.00 0.00 H ATOM 773 N THR B 30 -10.065 7.531 -1.725 1.00 0.00 N ATOM 774 CA THR B 30 -9.489 7.045 -0.439 1.00 0.00 C ATOM 775 C THR B 30 -10.556 6.301 0.366 1.00 0.00 C ATOM 776 O THR B 30 -10.198 5.374 1.072 1.00 0.00 O ATOM 777 CB THR B 30 -9.041 8.309 0.299 1.00 0.00 C ATOM 778 OG1 THR B 30 -8.344 7.942 1.482 1.00 0.00 O ATOM 779 CG2 THR B 30 -10.268 9.148 0.664 1.00 0.00 C ATOM 780 OXT THR B 30 -11.714 6.674 0.263 1.00 0.00 O ATOM 781 H THR B 30 -10.051 8.488 -1.939 1.00 0.00 H ATOM 782 HA THR B 30 -8.640 6.405 -0.624 1.00 0.00 H ATOM 783 HB THR B 30 -8.391 8.888 -0.338 1.00 0.00 H ATOM 784 HG1 THR B 30 -7.414 8.147 1.356 1.00 0.00 H ATOM 785 HG21 THR B 30 -11.120 8.806 0.096 1.00 0.00 H ATOM 786 HG22 THR B 30 -10.473 9.047 1.719 1.00 0.00 H ATOM 787 HG23 THR B 30 -10.075 10.186 0.432 1.00 0.00 H TER 788 THR B 30 ENDMDL MODEL 9 ATOM 1 N GLY A 1 -6.139 5.032 1.696 1.00 0.00 N ATOM 2 CA GLY A 1 -5.546 6.200 0.986 1.00 0.00 C ATOM 3 C GLY A 1 -4.477 5.720 0.002 1.00 0.00 C ATOM 4 O GLY A 1 -3.874 6.503 -0.703 1.00 0.00 O ATOM 5 H1 GLY A 1 -5.385 4.503 2.182 1.00 0.00 H ATOM 6 H2 GLY A 1 -6.835 5.366 2.392 1.00 0.00 H ATOM 7 H3 GLY A 1 -6.610 4.412 1.008 1.00 0.00 H ATOM 8 HA2 GLY A 1 -6.324 6.725 0.446 1.00 0.00 H ATOM 9 HA3 GLY A 1 -5.094 6.867 1.705 1.00 0.00 H ATOM 10 N ILE A 2 -4.230 4.437 -0.048 1.00 0.00 N ATOM 11 CA ILE A 2 -3.190 3.915 -0.988 1.00 0.00 C ATOM 12 C ILE A 2 -3.281 4.619 -2.347 1.00 0.00 C ATOM 13 O ILE A 2 -2.308 4.726 -3.068 1.00 0.00 O ATOM 14 CB ILE A 2 -3.489 2.417 -1.123 1.00 0.00 C ATOM 15 CG1 ILE A 2 -2.772 1.859 -2.366 1.00 0.00 C ATOM 16 CG2 ILE A 2 -5.002 2.190 -1.223 1.00 0.00 C ATOM 17 CD1 ILE A 2 -3.676 1.941 -3.604 1.00 0.00 C ATOM 18 H ILE A 2 -4.720 3.819 0.535 1.00 0.00 H ATOM 19 HA ILE A 2 -2.212 4.053 -0.566 1.00 0.00 H ATOM 20 HB ILE A 2 -3.118 1.908 -0.248 1.00 0.00 H ATOM 21 HG12 ILE A 2 -1.874 2.431 -2.539 1.00 0.00 H ATOM 22 HG13 ILE A 2 -2.504 0.827 -2.190 1.00 0.00 H ATOM 23 HG21 ILE A 2 -5.437 2.939 -1.866 1.00 0.00 H ATOM 24 HG22 ILE A 2 -5.194 1.209 -1.632 1.00 0.00 H ATOM 25 HG23 ILE A 2 -5.441 2.261 -0.239 1.00 0.00 H ATOM 26 HD11 ILE A 2 -4.097 2.931 -3.684 1.00 0.00 H ATOM 27 HD12 ILE A 2 -3.094 1.726 -4.490 1.00 0.00 H ATOM 28 HD13 ILE A 2 -4.473 1.220 -3.515 1.00 0.00 H ATOM 29 N VAL A 3 -4.441 5.095 -2.701 1.00 0.00 N ATOM 30 CA VAL A 3 -4.606 5.789 -4.013 1.00 0.00 C ATOM 31 C VAL A 3 -4.028 7.205 -3.954 1.00 0.00 C ATOM 32 O VAL A 3 -3.720 7.802 -4.966 1.00 0.00 O ATOM 33 CB VAL A 3 -6.120 5.831 -4.241 1.00 0.00 C ATOM 34 CG1 VAL A 3 -6.745 6.915 -3.360 1.00 0.00 C ATOM 35 CG2 VAL A 3 -6.407 6.140 -5.713 1.00 0.00 C ATOM 36 H VAL A 3 -5.207 4.995 -2.105 1.00 0.00 H ATOM 37 HA VAL A 3 -4.135 5.226 -4.801 1.00 0.00 H ATOM 38 HB VAL A 3 -6.548 4.871 -3.985 1.00 0.00 H ATOM 39 HG11 VAL A 3 -6.239 7.854 -3.533 1.00 0.00 H ATOM 40 HG12 VAL A 3 -7.792 7.020 -3.606 1.00 0.00 H ATOM 41 HG13 VAL A 3 -6.645 6.637 -2.322 1.00 0.00 H ATOM 42 HG21 VAL A 3 -5.485 6.112 -6.274 1.00 0.00 H ATOM 43 HG22 VAL A 3 -7.091 5.404 -6.110 1.00 0.00 H ATOM 44 HG23 VAL A 3 -6.849 7.122 -5.795 1.00 0.00 H ATOM 45 N GLU A 4 -3.888 7.754 -2.779 1.00 0.00 N ATOM 46 CA GLU A 4 -3.341 9.137 -2.670 1.00 0.00 C ATOM 47 C GLU A 4 -1.896 9.127 -2.158 1.00 0.00 C ATOM 48 O GLU A 4 -1.326 10.167 -1.893 1.00 0.00 O ATOM 49 CB GLU A 4 -4.255 9.848 -1.670 1.00 0.00 C ATOM 50 CG GLU A 4 -4.373 9.008 -0.395 1.00 0.00 C ATOM 51 CD GLU A 4 -4.841 9.895 0.760 1.00 0.00 C ATOM 52 OE1 GLU A 4 -4.614 11.092 0.692 1.00 0.00 O ATOM 53 OE2 GLU A 4 -5.417 9.363 1.694 1.00 0.00 O ATOM 54 H GLU A 4 -4.149 7.264 -1.972 1.00 0.00 H ATOM 55 HA GLU A 4 -3.394 9.635 -3.626 1.00 0.00 H ATOM 56 HB2 GLU A 4 -3.841 10.815 -1.428 1.00 0.00 H ATOM 57 HB3 GLU A 4 -5.236 9.974 -2.106 1.00 0.00 H ATOM 58 HG2 GLU A 4 -5.088 8.212 -0.553 1.00 0.00 H ATOM 59 HG3 GLU A 4 -3.409 8.583 -0.154 1.00 0.00 H ATOM 60 N GLN A 5 -1.291 7.977 -2.004 1.00 0.00 N ATOM 61 CA GLN A 5 0.113 7.963 -1.498 1.00 0.00 C ATOM 62 C GLN A 5 1.099 7.646 -2.633 1.00 0.00 C ATOM 63 O GLN A 5 2.163 8.227 -2.707 1.00 0.00 O ATOM 64 CB GLN A 5 0.153 6.891 -0.397 1.00 0.00 C ATOM 65 CG GLN A 5 0.973 7.415 0.783 1.00 0.00 C ATOM 66 CD GLN A 5 0.054 7.614 1.990 1.00 0.00 C ATOM 67 OE1 GLN A 5 -0.876 6.856 2.190 1.00 0.00 O ATOM 68 NE2 GLN A 5 0.273 8.607 2.807 1.00 0.00 N ATOM 69 H GLN A 5 -1.754 7.139 -2.213 1.00 0.00 H ATOM 70 HA GLN A 5 0.352 8.925 -1.070 1.00 0.00 H ATOM 71 HB2 GLN A 5 -0.852 6.673 -0.069 1.00 0.00 H ATOM 72 HB3 GLN A 5 0.614 5.991 -0.771 1.00 0.00 H ATOM 73 HG2 GLN A 5 1.746 6.700 1.029 1.00 0.00 H ATOM 74 HG3 GLN A 5 1.425 8.359 0.518 1.00 0.00 H ATOM 75 HE21 GLN A 5 1.020 9.219 2.646 1.00 0.00 H ATOM 76 HE22 GLN A 5 -0.312 8.741 3.583 1.00 0.00 H ATOM 77 N CYS A 6 0.767 6.746 -3.527 1.00 0.00 N ATOM 78 CA CYS A 6 1.716 6.443 -4.638 1.00 0.00 C ATOM 79 C CYS A 6 1.342 7.231 -5.896 1.00 0.00 C ATOM 80 O CYS A 6 2.152 7.438 -6.751 1.00 0.00 O ATOM 81 CB CYS A 6 1.681 4.914 -4.873 1.00 0.00 C ATOM 82 SG CYS A 6 1.361 4.048 -3.327 1.00 0.00 S ATOM 83 H CYS A 6 -0.089 6.280 -3.471 1.00 0.00 H ATOM 84 HA CYS A 6 2.714 6.730 -4.348 1.00 0.00 H ATOM 85 HB2 CYS A 6 0.936 4.648 -5.604 1.00 0.00 H ATOM 86 HB3 CYS A 6 2.647 4.603 -5.238 1.00 0.00 H ATOM 87 N CYS A 7 0.154 7.714 -6.030 1.00 0.00 N ATOM 88 CA CYS A 7 -0.130 8.507 -7.263 1.00 0.00 C ATOM 89 C CYS A 7 0.323 9.943 -7.040 1.00 0.00 C ATOM 90 O CYS A 7 1.005 10.537 -7.850 1.00 0.00 O ATOM 91 CB CYS A 7 -1.639 8.490 -7.442 1.00 0.00 C ATOM 92 SG CYS A 7 -2.069 9.277 -9.019 1.00 0.00 S ATOM 93 H CYS A 7 -0.528 7.590 -5.336 1.00 0.00 H ATOM 94 HA CYS A 7 0.368 8.079 -8.124 1.00 0.00 H ATOM 95 HB2 CYS A 7 -2.004 7.487 -7.413 1.00 0.00 H ATOM 96 HB3 CYS A 7 -2.079 9.038 -6.643 1.00 0.00 H ATOM 97 N THR A 8 -0.088 10.502 -5.943 1.00 0.00 N ATOM 98 CA THR A 8 0.268 11.912 -5.630 1.00 0.00 C ATOM 99 C THR A 8 1.552 11.999 -4.794 1.00 0.00 C ATOM 100 O THR A 8 1.822 13.007 -4.172 1.00 0.00 O ATOM 101 CB THR A 8 -0.928 12.421 -4.825 1.00 0.00 C ATOM 102 OG1 THR A 8 -2.053 12.542 -5.684 1.00 0.00 O ATOM 103 CG2 THR A 8 -0.605 13.784 -4.212 1.00 0.00 C ATOM 104 H THR A 8 -0.655 9.992 -5.327 1.00 0.00 H ATOM 105 HA THR A 8 0.368 12.487 -6.536 1.00 0.00 H ATOM 106 HB THR A 8 -1.151 11.716 -4.035 1.00 0.00 H ATOM 107 HG1 THR A 8 -2.391 11.660 -5.856 1.00 0.00 H ATOM 108 HG21 THR A 8 -0.036 14.371 -4.920 1.00 0.00 H ATOM 109 HG22 THR A 8 -1.524 14.300 -3.976 1.00 0.00 H ATOM 110 HG23 THR A 8 -0.027 13.646 -3.312 1.00 0.00 H ATOM 111 N SER A 9 2.355 10.970 -4.767 1.00 0.00 N ATOM 112 CA SER A 9 3.607 11.055 -3.958 1.00 0.00 C ATOM 113 C SER A 9 4.373 9.732 -3.968 1.00 0.00 C ATOM 114 O SER A 9 4.068 8.821 -4.712 1.00 0.00 O ATOM 115 CB SER A 9 3.141 11.392 -2.540 1.00 0.00 C ATOM 116 OG SER A 9 4.182 11.089 -1.619 1.00 0.00 O ATOM 117 H SER A 9 2.144 10.157 -5.274 1.00 0.00 H ATOM 118 HA SER A 9 4.237 11.848 -4.329 1.00 0.00 H ATOM 119 HB2 SER A 9 2.909 12.441 -2.475 1.00 0.00 H ATOM 120 HB3 SER A 9 2.257 10.814 -2.306 1.00 0.00 H ATOM 121 HG SER A 9 3.925 11.429 -0.758 1.00 0.00 H ATOM 122 N ILE A 10 5.383 9.641 -3.147 1.00 0.00 N ATOM 123 CA ILE A 10 6.215 8.407 -3.086 1.00 0.00 C ATOM 124 C ILE A 10 5.787 7.516 -1.917 1.00 0.00 C ATOM 125 O ILE A 10 6.019 7.837 -0.769 1.00 0.00 O ATOM 126 CB ILE A 10 7.640 8.919 -2.847 1.00 0.00 C ATOM 127 CG1 ILE A 10 7.903 10.145 -3.725 1.00 0.00 C ATOM 128 CG2 ILE A 10 8.647 7.827 -3.198 1.00 0.00 C ATOM 129 CD1 ILE A 10 7.795 9.737 -5.190 1.00 0.00 C ATOM 130 H ILE A 10 5.607 10.401 -2.576 1.00 0.00 H ATOM 131 HA ILE A 10 6.168 7.867 -4.018 1.00 0.00 H ATOM 132 HB ILE A 10 7.752 9.190 -1.807 1.00 0.00 H ATOM 133 HG12 ILE A 10 7.174 10.911 -3.506 1.00 0.00 H ATOM 134 HG13 ILE A 10 8.896 10.523 -3.530 1.00 0.00 H ATOM 135 HG21 ILE A 10 8.144 7.025 -3.716 1.00 0.00 H ATOM 136 HG22 ILE A 10 9.417 8.239 -3.833 1.00 0.00 H ATOM 137 HG23 ILE A 10 9.094 7.446 -2.292 1.00 0.00 H ATOM 138 HD11 ILE A 10 8.339 8.820 -5.341 1.00 0.00 H ATOM 139 HD12 ILE A 10 6.757 9.586 -5.446 1.00 0.00 H ATOM 140 HD13 ILE A 10 8.214 10.511 -5.813 1.00 0.00 H ATOM 141 N CYS A 11 5.190 6.386 -2.191 1.00 0.00 N ATOM 142 CA CYS A 11 4.790 5.478 -1.066 1.00 0.00 C ATOM 143 C CYS A 11 5.730 4.265 -1.064 1.00 0.00 C ATOM 144 O CYS A 11 6.352 3.964 -2.063 1.00 0.00 O ATOM 145 CB CYS A 11 3.326 5.094 -1.329 1.00 0.00 C ATOM 146 SG CYS A 11 3.220 3.815 -2.601 1.00 0.00 S ATOM 147 H CYS A 11 5.029 6.126 -3.123 1.00 0.00 H ATOM 148 HA CYS A 11 4.870 6.003 -0.124 1.00 0.00 H ATOM 149 HB2 CYS A 11 2.871 4.728 -0.426 1.00 0.00 H ATOM 150 HB3 CYS A 11 2.787 5.966 -1.652 1.00 0.00 H ATOM 151 N SER A 12 5.884 3.587 0.046 1.00 0.00 N ATOM 152 CA SER A 12 6.842 2.437 0.060 1.00 0.00 C ATOM 153 C SER A 12 6.162 1.080 0.059 1.00 0.00 C ATOM 154 O SER A 12 4.955 0.955 0.004 1.00 0.00 O ATOM 155 CB SER A 12 7.659 2.585 1.336 1.00 0.00 C ATOM 156 OG SER A 12 7.001 3.473 2.226 1.00 0.00 O ATOM 157 H SER A 12 5.405 3.847 0.863 1.00 0.00 H ATOM 158 HA SER A 12 7.505 2.509 -0.787 1.00 0.00 H ATOM 159 HB2 SER A 12 7.754 1.621 1.809 1.00 0.00 H ATOM 160 HB3 SER A 12 8.641 2.949 1.086 1.00 0.00 H ATOM 161 HG SER A 12 7.089 3.122 3.115 1.00 0.00 H ATOM 162 N LEU A 13 6.969 0.060 0.130 1.00 0.00 N ATOM 163 CA LEU A 13 6.440 -1.332 0.137 1.00 0.00 C ATOM 164 C LEU A 13 5.803 -1.645 1.486 1.00 0.00 C ATOM 165 O LEU A 13 4.927 -2.477 1.589 1.00 0.00 O ATOM 166 CB LEU A 13 7.650 -2.234 -0.121 1.00 0.00 C ATOM 167 CG LEU A 13 8.359 -1.784 -1.398 1.00 0.00 C ATOM 168 CD1 LEU A 13 9.858 -1.641 -1.126 1.00 0.00 C ATOM 169 CD2 LEU A 13 8.140 -2.829 -2.494 1.00 0.00 C ATOM 170 H LEU A 13 7.940 0.221 0.185 1.00 0.00 H ATOM 171 HA LEU A 13 5.720 -1.457 -0.650 1.00 0.00 H ATOM 172 HB2 LEU A 13 8.337 -2.173 0.710 1.00 0.00 H ATOM 173 HB3 LEU A 13 7.319 -3.254 -0.238 1.00 0.00 H ATOM 174 HG LEU A 13 7.959 -0.833 -1.718 1.00 0.00 H ATOM 175 HD11 LEU A 13 10.047 -1.782 -0.071 1.00 0.00 H ATOM 176 HD12 LEU A 13 10.400 -2.384 -1.692 1.00 0.00 H ATOM 177 HD13 LEU A 13 10.185 -0.654 -1.420 1.00 0.00 H ATOM 178 HD21 LEU A 13 8.248 -3.819 -2.075 1.00 0.00 H ATOM 179 HD22 LEU A 13 7.148 -2.718 -2.905 1.00 0.00 H ATOM 180 HD23 LEU A 13 8.871 -2.689 -3.278 1.00 0.00 H ATOM 181 N TYR A 14 6.221 -0.967 2.517 1.00 0.00 N ATOM 182 CA TYR A 14 5.624 -1.210 3.855 1.00 0.00 C ATOM 183 C TYR A 14 4.362 -0.365 3.986 1.00 0.00 C ATOM 184 O TYR A 14 3.447 -0.697 4.711 1.00 0.00 O ATOM 185 CB TYR A 14 6.680 -0.775 4.865 1.00 0.00 C ATOM 186 CG TYR A 14 6.233 -1.185 6.244 1.00 0.00 C ATOM 187 CD1 TYR A 14 5.182 -0.502 6.867 1.00 0.00 C ATOM 188 CD2 TYR A 14 6.866 -2.248 6.901 1.00 0.00 C ATOM 189 CE1 TYR A 14 4.762 -0.878 8.149 1.00 0.00 C ATOM 190 CE2 TYR A 14 6.448 -2.626 8.184 1.00 0.00 C ATOM 191 CZ TYR A 14 5.396 -1.941 8.809 1.00 0.00 C ATOM 192 OH TYR A 14 4.984 -2.313 10.072 1.00 0.00 O ATOM 193 H TYR A 14 6.908 -0.284 2.406 1.00 0.00 H ATOM 194 HA TYR A 14 5.393 -2.258 3.984 1.00 0.00 H ATOM 195 HB2 TYR A 14 7.622 -1.250 4.631 1.00 0.00 H ATOM 196 HB3 TYR A 14 6.796 0.298 4.828 1.00 0.00 H ATOM 197 HD1 TYR A 14 4.694 0.315 6.356 1.00 0.00 H ATOM 198 HD2 TYR A 14 7.675 -2.779 6.418 1.00 0.00 H ATOM 199 HE1 TYR A 14 3.952 -0.351 8.629 1.00 0.00 H ATOM 200 HE2 TYR A 14 6.936 -3.446 8.693 1.00 0.00 H ATOM 201 HH TYR A 14 4.969 -1.528 10.624 1.00 0.00 H ATOM 202 N GLN A 15 4.288 0.712 3.255 1.00 0.00 N ATOM 203 CA GLN A 15 3.061 1.539 3.309 1.00 0.00 C ATOM 204 C GLN A 15 1.984 0.769 2.547 1.00 0.00 C ATOM 205 O GLN A 15 0.823 0.748 2.912 1.00 0.00 O ATOM 206 CB GLN A 15 3.427 2.863 2.624 1.00 0.00 C ATOM 207 CG GLN A 15 3.052 4.027 3.542 1.00 0.00 C ATOM 208 CD GLN A 15 2.993 5.325 2.734 1.00 0.00 C ATOM 209 OE1 GLN A 15 3.442 5.372 1.605 1.00 0.00 O ATOM 210 NE2 GLN A 15 2.457 6.388 3.267 1.00 0.00 N ATOM 211 H GLN A 15 5.021 0.954 2.649 1.00 0.00 H ATOM 212 HA GLN A 15 2.760 1.708 4.331 1.00 0.00 H ATOM 213 HB2 GLN A 15 4.490 2.885 2.433 1.00 0.00 H ATOM 214 HB3 GLN A 15 2.894 2.958 1.691 1.00 0.00 H ATOM 215 HG2 GLN A 15 2.085 3.836 3.988 1.00 0.00 H ATOM 216 HG3 GLN A 15 3.793 4.125 4.321 1.00 0.00 H ATOM 217 HE21 GLN A 15 2.096 6.351 4.178 1.00 0.00 H ATOM 218 HE22 GLN A 15 2.414 7.224 2.758 1.00 0.00 H ATOM 219 N LEU A 16 2.395 0.084 1.511 1.00 0.00 N ATOM 220 CA LEU A 16 1.444 -0.742 0.725 1.00 0.00 C ATOM 221 C LEU A 16 1.155 -2.028 1.501 1.00 0.00 C ATOM 222 O LEU A 16 0.165 -2.696 1.282 1.00 0.00 O ATOM 223 CB LEU A 16 2.187 -1.048 -0.578 1.00 0.00 C ATOM 224 CG LEU A 16 1.238 -0.921 -1.770 1.00 0.00 C ATOM 225 CD1 LEU A 16 0.902 0.552 -2.003 1.00 0.00 C ATOM 226 CD2 LEU A 16 1.919 -1.482 -3.019 1.00 0.00 C ATOM 227 H LEU A 16 3.346 0.087 1.272 1.00 0.00 H ATOM 228 HA LEU A 16 0.539 -0.198 0.526 1.00 0.00 H ATOM 229 HB2 LEU A 16 2.999 -0.347 -0.694 1.00 0.00 H ATOM 230 HB3 LEU A 16 2.581 -2.053 -0.538 1.00 0.00 H ATOM 231 HG LEU A 16 0.330 -1.472 -1.572 1.00 0.00 H ATOM 232 HD11 LEU A 16 0.799 1.052 -1.052 1.00 0.00 H ATOM 233 HD12 LEU A 16 1.695 1.015 -2.571 1.00 0.00 H ATOM 234 HD13 LEU A 16 -0.024 0.627 -2.552 1.00 0.00 H ATOM 235 HD21 LEU A 16 2.297 -2.472 -2.808 1.00 0.00 H ATOM 236 HD22 LEU A 16 1.206 -1.533 -3.827 1.00 0.00 H ATOM 237 HD23 LEU A 16 2.738 -0.838 -3.303 1.00 0.00 H ATOM 238 N GLU A 17 2.024 -2.370 2.418 1.00 0.00 N ATOM 239 CA GLU A 17 1.817 -3.609 3.229 1.00 0.00 C ATOM 240 C GLU A 17 0.555 -3.479 4.070 1.00 0.00 C ATOM 241 O GLU A 17 -0.068 -4.460 4.431 1.00 0.00 O ATOM 242 CB GLU A 17 3.034 -3.704 4.144 1.00 0.00 C ATOM 243 CG GLU A 17 4.119 -4.522 3.464 1.00 0.00 C ATOM 244 CD GLU A 17 4.728 -5.506 4.465 1.00 0.00 C ATOM 245 OE1 GLU A 17 5.350 -5.048 5.409 1.00 0.00 O ATOM 246 OE2 GLU A 17 4.564 -6.698 4.268 1.00 0.00 O ATOM 247 H GLU A 17 2.812 -1.806 2.574 1.00 0.00 H ATOM 248 HA GLU A 17 1.764 -4.476 2.591 1.00 0.00 H ATOM 249 HB2 GLU A 17 3.409 -2.714 4.347 1.00 0.00 H ATOM 250 HB3 GLU A 17 2.755 -4.179 5.071 1.00 0.00 H ATOM 251 HG2 GLU A 17 3.695 -5.066 2.632 1.00 0.00 H ATOM 252 HG3 GLU A 17 4.880 -3.857 3.107 1.00 0.00 H ATOM 253 N ASN A 18 0.166 -2.275 4.386 1.00 0.00 N ATOM 254 CA ASN A 18 -1.060 -2.088 5.212 1.00 0.00 C ATOM 255 C ASN A 18 -2.323 -2.417 4.405 1.00 0.00 C ATOM 256 O ASN A 18 -3.418 -2.062 4.794 1.00 0.00 O ATOM 257 CB ASN A 18 -1.048 -0.611 5.608 1.00 0.00 C ATOM 258 CG ASN A 18 -0.475 -0.461 7.020 1.00 0.00 C ATOM 259 OD1 ASN A 18 -0.917 0.376 7.782 1.00 0.00 O ATOM 260 ND2 ASN A 18 0.498 -1.243 7.402 1.00 0.00 N ATOM 261 H ASN A 18 0.680 -1.496 4.085 1.00 0.00 H ATOM 262 HA ASN A 18 -1.012 -2.703 6.095 1.00 0.00 H ATOM 263 HB2 ASN A 18 -0.436 -0.056 4.911 1.00 0.00 H ATOM 264 HB3 ASN A 18 -2.055 -0.223 5.589 1.00 0.00 H ATOM 265 HD21 ASN A 18 0.856 -1.916 6.786 1.00 0.00 H ATOM 266 HD22 ASN A 18 0.870 -1.154 8.304 1.00 0.00 H ATOM 267 N TYR A 19 -2.196 -3.083 3.284 1.00 0.00 N ATOM 268 CA TYR A 19 -3.415 -3.400 2.490 1.00 0.00 C ATOM 269 C TYR A 19 -3.577 -4.914 2.302 1.00 0.00 C ATOM 270 O TYR A 19 -4.652 -5.388 1.992 1.00 0.00 O ATOM 271 CB TYR A 19 -3.206 -2.675 1.162 1.00 0.00 C ATOM 272 CG TYR A 19 -3.163 -1.192 1.444 1.00 0.00 C ATOM 273 CD1 TYR A 19 -4.301 -0.546 1.946 1.00 0.00 C ATOM 274 CD2 TYR A 19 -1.984 -0.469 1.230 1.00 0.00 C ATOM 275 CE1 TYR A 19 -4.261 0.825 2.230 1.00 0.00 C ATOM 276 CE2 TYR A 19 -1.942 0.903 1.518 1.00 0.00 C ATOM 277 CZ TYR A 19 -3.081 1.549 2.018 1.00 0.00 C ATOM 278 OH TYR A 19 -3.038 2.900 2.302 1.00 0.00 O ATOM 279 H TYR A 19 -1.312 -3.362 2.963 1.00 0.00 H ATOM 280 HA TYR A 19 -4.286 -2.999 2.983 1.00 0.00 H ATOM 281 HB2 TYR A 19 -2.272 -2.991 0.716 1.00 0.00 H ATOM 282 HB3 TYR A 19 -4.023 -2.893 0.493 1.00 0.00 H ATOM 283 HD1 TYR A 19 -5.211 -1.104 2.109 1.00 0.00 H ATOM 284 HD2 TYR A 19 -1.109 -0.967 0.844 1.00 0.00 H ATOM 285 HE1 TYR A 19 -5.138 1.324 2.615 1.00 0.00 H ATOM 286 HE2 TYR A 19 -1.033 1.461 1.352 1.00 0.00 H ATOM 287 HH TYR A 19 -2.648 3.008 3.172 1.00 0.00 H ATOM 288 N CYS A 20 -2.540 -5.688 2.497 1.00 0.00 N ATOM 289 CA CYS A 20 -2.690 -7.159 2.336 1.00 0.00 C ATOM 290 C CYS A 20 -2.782 -7.819 3.718 1.00 0.00 C ATOM 291 O CYS A 20 -2.603 -7.177 4.734 1.00 0.00 O ATOM 292 CB CYS A 20 -1.449 -7.670 1.577 1.00 0.00 C ATOM 293 SG CYS A 20 -0.390 -6.312 0.977 1.00 0.00 S ATOM 294 H CYS A 20 -1.677 -5.315 2.752 1.00 0.00 H ATOM 295 HA CYS A 20 -3.580 -7.377 1.767 1.00 0.00 H ATOM 296 HB2 CYS A 20 -0.870 -8.302 2.232 1.00 0.00 H ATOM 297 HB3 CYS A 20 -1.787 -8.255 0.735 1.00 0.00 H ATOM 298 N ASN A 21 -3.067 -9.091 3.765 1.00 0.00 N ATOM 299 CA ASN A 21 -3.178 -9.788 5.081 1.00 0.00 C ATOM 300 C ASN A 21 -4.238 -9.105 5.951 1.00 0.00 C ATOM 301 O ASN A 21 -5.390 -9.494 5.863 1.00 0.00 O ATOM 302 CB ASN A 21 -1.797 -9.660 5.724 1.00 0.00 C ATOM 303 CG ASN A 21 -0.752 -10.336 4.835 1.00 0.00 C ATOM 304 OD1 ASN A 21 0.183 -9.702 4.387 1.00 0.00 O ATOM 305 ND2 ASN A 21 -0.871 -11.606 4.560 1.00 0.00 N ATOM 306 OXT ASN A 21 -3.877 -8.204 6.691 1.00 0.00 O ATOM 307 H ASN A 21 -3.215 -9.589 2.936 1.00 0.00 H ATOM 308 HA ASN A 21 -3.423 -10.828 4.936 1.00 0.00 H ATOM 309 HB2 ASN A 21 -1.550 -8.615 5.841 1.00 0.00 H ATOM 310 HB3 ASN A 21 -1.807 -10.138 6.692 1.00 0.00 H ATOM 311 HD21 ASN A 21 -1.626 -12.117 4.920 1.00 0.00 H ATOM 312 HD22 ASN A 21 -0.204 -12.049 3.994 1.00 0.00 H TER 313 ASN A 21 ATOM 314 N PHE B 1 18.141 1.781 -3.533 1.00 0.00 N ATOM 315 CA PHE B 1 16.827 1.809 -4.237 1.00 0.00 C ATOM 316 C PHE B 1 15.854 2.742 -3.511 1.00 0.00 C ATOM 317 O PHE B 1 16.024 3.050 -2.348 1.00 0.00 O ATOM 318 CB PHE B 1 16.321 0.365 -4.191 1.00 0.00 C ATOM 319 CG PHE B 1 14.848 0.332 -4.524 1.00 0.00 C ATOM 320 CD1 PHE B 1 14.411 0.688 -5.807 1.00 0.00 C ATOM 321 CD2 PHE B 1 13.918 -0.054 -3.549 1.00 0.00 C ATOM 322 CE1 PHE B 1 13.044 0.659 -6.115 1.00 0.00 C ATOM 323 CE2 PHE B 1 12.552 -0.083 -3.857 1.00 0.00 C ATOM 324 CZ PHE B 1 12.114 0.273 -5.140 1.00 0.00 C ATOM 325 H1 PHE B 1 17.991 1.901 -2.512 1.00 0.00 H ATOM 326 H2 PHE B 1 18.610 0.869 -3.711 1.00 0.00 H ATOM 327 H3 PHE B 1 18.740 2.554 -3.887 1.00 0.00 H ATOM 328 HA PHE B 1 16.954 2.121 -5.262 1.00 0.00 H ATOM 329 HB2 PHE B 1 16.866 -0.229 -4.909 1.00 0.00 H ATOM 330 HB3 PHE B 1 16.475 -0.037 -3.200 1.00 0.00 H ATOM 331 HD1 PHE B 1 15.127 0.985 -6.558 1.00 0.00 H ATOM 332 HD2 PHE B 1 14.254 -0.328 -2.560 1.00 0.00 H ATOM 333 HE1 PHE B 1 12.707 0.932 -7.103 1.00 0.00 H ATOM 334 HE2 PHE B 1 11.835 -0.381 -3.105 1.00 0.00 H ATOM 335 HZ PHE B 1 11.061 0.250 -5.377 1.00 0.00 H ATOM 336 N VAL B 2 14.833 3.190 -4.190 1.00 0.00 N ATOM 337 CA VAL B 2 13.846 4.097 -3.550 1.00 0.00 C ATOM 338 C VAL B 2 12.457 3.827 -4.133 1.00 0.00 C ATOM 339 O VAL B 2 12.303 3.082 -5.079 1.00 0.00 O ATOM 340 CB VAL B 2 14.313 5.510 -3.903 1.00 0.00 C ATOM 341 CG1 VAL B 2 15.602 5.830 -3.145 1.00 0.00 C ATOM 342 CG2 VAL B 2 14.576 5.599 -5.409 1.00 0.00 C ATOM 343 H VAL B 2 14.714 2.926 -5.122 1.00 0.00 H ATOM 344 HA VAL B 2 13.842 3.962 -2.480 1.00 0.00 H ATOM 345 HB VAL B 2 13.549 6.223 -3.628 1.00 0.00 H ATOM 346 HG11 VAL B 2 16.304 5.020 -3.269 1.00 0.00 H ATOM 347 HG12 VAL B 2 16.034 6.742 -3.534 1.00 0.00 H ATOM 348 HG13 VAL B 2 15.382 5.957 -2.095 1.00 0.00 H ATOM 349 HG21 VAL B 2 13.737 5.180 -5.946 1.00 0.00 H ATOM 350 HG22 VAL B 2 14.703 6.634 -5.692 1.00 0.00 H ATOM 351 HG23 VAL B 2 15.471 5.046 -5.650 1.00 0.00 H ATOM 352 N ASN B 3 11.446 4.428 -3.578 1.00 0.00 N ATOM 353 CA ASN B 3 10.068 4.209 -4.104 1.00 0.00 C ATOM 354 C ASN B 3 9.619 5.427 -4.917 1.00 0.00 C ATOM 355 O ASN B 3 10.162 6.505 -4.789 1.00 0.00 O ATOM 356 CB ASN B 3 9.189 4.023 -2.864 1.00 0.00 C ATOM 357 CG ASN B 3 8.683 2.580 -2.813 1.00 0.00 C ATOM 358 OD1 ASN B 3 9.228 1.756 -2.106 1.00 0.00 O ATOM 359 ND2 ASN B 3 7.653 2.238 -3.538 1.00 0.00 N ATOM 360 H ASN B 3 11.594 5.027 -2.819 1.00 0.00 H ATOM 361 HA ASN B 3 10.038 3.320 -4.713 1.00 0.00 H ATOM 362 HB2 ASN B 3 9.768 4.233 -1.978 1.00 0.00 H ATOM 363 HB3 ASN B 3 8.346 4.694 -2.912 1.00 0.00 H ATOM 364 HD21 ASN B 3 7.212 2.901 -4.108 1.00 0.00 H ATOM 365 HD22 ASN B 3 7.320 1.316 -3.513 1.00 0.00 H ATOM 366 N GLN B 4 8.641 5.258 -5.763 1.00 0.00 N ATOM 367 CA GLN B 4 8.166 6.397 -6.597 1.00 0.00 C ATOM 368 C GLN B 4 6.632 6.504 -6.501 1.00 0.00 C ATOM 369 O GLN B 4 6.024 5.966 -5.582 1.00 0.00 O ATOM 370 CB GLN B 4 8.635 6.024 -8.010 1.00 0.00 C ATOM 371 CG GLN B 4 8.616 7.261 -8.911 1.00 0.00 C ATOM 372 CD GLN B 4 10.036 7.548 -9.402 1.00 0.00 C ATOM 373 OE1 GLN B 4 10.981 7.472 -8.642 1.00 0.00 O ATOM 374 NE2 GLN B 4 10.229 7.878 -10.651 1.00 0.00 N ATOM 375 H GLN B 4 8.225 4.378 -5.861 1.00 0.00 H ATOM 376 HA GLN B 4 8.633 7.314 -6.283 1.00 0.00 H ATOM 377 HB2 GLN B 4 9.644 5.643 -7.956 1.00 0.00 H ATOM 378 HB3 GLN B 4 7.991 5.260 -8.423 1.00 0.00 H ATOM 379 HG2 GLN B 4 7.967 7.082 -9.755 1.00 0.00 H ATOM 380 HG3 GLN B 4 8.255 8.110 -8.349 1.00 0.00 H ATOM 381 HE21 GLN B 4 9.468 7.940 -11.265 1.00 0.00 H ATOM 382 HE22 GLN B 4 11.136 8.062 -10.974 1.00 0.00 H ATOM 383 N HIS B 5 5.989 7.188 -7.424 1.00 0.00 N ATOM 384 CA HIS B 5 4.506 7.286 -7.355 1.00 0.00 C ATOM 385 C HIS B 5 3.891 6.155 -8.193 1.00 0.00 C ATOM 386 O HIS B 5 4.280 5.924 -9.320 1.00 0.00 O ATOM 387 CB HIS B 5 4.091 8.657 -7.926 1.00 0.00 C ATOM 388 CG HIS B 5 5.217 9.655 -7.835 1.00 0.00 C ATOM 389 ND1 HIS B 5 5.270 10.603 -6.827 1.00 0.00 N ATOM 390 CD2 HIS B 5 6.309 9.893 -8.632 1.00 0.00 C ATOM 391 CE1 HIS B 5 6.356 11.365 -7.039 1.00 0.00 C ATOM 392 NE2 HIS B 5 7.028 10.975 -8.127 1.00 0.00 N ATOM 393 H HIS B 5 6.474 7.625 -8.149 1.00 0.00 H ATOM 394 HA HIS B 5 4.181 7.203 -6.329 1.00 0.00 H ATOM 395 HB2 HIS B 5 3.789 8.542 -8.953 1.00 0.00 H ATOM 396 HB3 HIS B 5 3.252 9.033 -7.359 1.00 0.00 H ATOM 397 HD1 HIS B 5 4.630 10.700 -6.090 1.00 0.00 H ATOM 398 HD2 HIS B 5 6.572 9.329 -9.514 1.00 0.00 H ATOM 399 HE1 HIS B 5 6.642 12.198 -6.413 1.00 0.00 H ATOM 400 N LEU B 6 2.962 5.430 -7.635 1.00 0.00 N ATOM 401 CA LEU B 6 2.350 4.287 -8.373 1.00 0.00 C ATOM 402 C LEU B 6 0.854 4.456 -8.653 1.00 0.00 C ATOM 403 O LEU B 6 0.134 3.484 -8.632 1.00 0.00 O ATOM 404 CB LEU B 6 2.518 3.096 -7.435 1.00 0.00 C ATOM 405 CG LEU B 6 3.993 2.825 -7.175 1.00 0.00 C ATOM 406 CD1 LEU B 6 4.179 2.361 -5.730 1.00 0.00 C ATOM 407 CD2 LEU B 6 4.459 1.726 -8.113 1.00 0.00 C ATOM 408 H LEU B 6 2.696 5.617 -6.723 1.00 0.00 H ATOM 409 HA LEU B 6 2.875 4.119 -9.286 1.00 0.00 H ATOM 410 HB2 LEU B 6 2.027 3.309 -6.499 1.00 0.00 H ATOM 411 HB3 LEU B 6 2.066 2.226 -7.879 1.00 0.00 H ATOM 412 HG LEU B 6 4.567 3.724 -7.349 1.00 0.00 H ATOM 413 HD11 LEU B 6 3.562 1.492 -5.550 1.00 0.00 H ATOM 414 HD12 LEU B 6 5.215 2.105 -5.565 1.00 0.00 H ATOM 415 HD13 LEU B 6 3.891 3.153 -5.056 1.00 0.00 H ATOM 416 HD21 LEU B 6 3.629 1.404 -8.723 1.00 0.00 H ATOM 417 HD22 LEU B 6 5.247 2.103 -8.743 1.00 0.00 H ATOM 418 HD23 LEU B 6 4.824 0.894 -7.531 1.00 0.00 H ATOM 419 N CYS B 7 0.379 5.642 -8.915 1.00 0.00 N ATOM 420 CA CYS B 7 -1.086 5.830 -9.187 1.00 0.00 C ATOM 421 C CYS B 7 -1.813 4.510 -9.480 1.00 0.00 C ATOM 422 O CYS B 7 -1.430 3.752 -10.346 1.00 0.00 O ATOM 423 CB CYS B 7 -1.168 6.775 -10.378 1.00 0.00 C ATOM 424 SG CYS B 7 -2.661 7.768 -10.216 1.00 0.00 S ATOM 425 H CYS B 7 0.978 6.414 -8.927 1.00 0.00 H ATOM 426 HA CYS B 7 -1.542 6.294 -8.342 1.00 0.00 H ATOM 427 HB2 CYS B 7 -0.305 7.427 -10.384 1.00 0.00 H ATOM 428 HB3 CYS B 7 -1.208 6.211 -11.293 1.00 0.00 H ATOM 429 N GLY B 8 -2.842 4.259 -8.712 1.00 0.00 N ATOM 430 CA GLY B 8 -3.671 3.012 -8.820 1.00 0.00 C ATOM 431 C GLY B 8 -3.164 2.013 -9.876 1.00 0.00 C ATOM 432 O GLY B 8 -2.768 0.919 -9.534 1.00 0.00 O ATOM 433 H GLY B 8 -3.076 4.912 -8.021 1.00 0.00 H ATOM 434 HA2 GLY B 8 -3.652 2.518 -7.862 1.00 0.00 H ATOM 435 HA3 GLY B 8 -4.687 3.284 -9.041 1.00 0.00 H ATOM 436 N SER B 9 -3.183 2.335 -11.147 1.00 0.00 N ATOM 437 CA SER B 9 -2.711 1.334 -12.139 1.00 0.00 C ATOM 438 C SER B 9 -1.317 0.842 -11.766 1.00 0.00 C ATOM 439 O SER B 9 -1.000 -0.335 -11.870 1.00 0.00 O ATOM 440 CB SER B 9 -2.692 2.076 -13.474 1.00 0.00 C ATOM 441 OG SER B 9 -2.303 3.424 -13.254 1.00 0.00 O ATOM 442 H SER B 9 -3.509 3.208 -11.452 1.00 0.00 H ATOM 443 HA SER B 9 -3.396 0.509 -12.184 1.00 0.00 H ATOM 444 HB2 SER B 9 -1.986 1.607 -14.140 1.00 0.00 H ATOM 445 HB3 SER B 9 -3.678 2.042 -13.917 1.00 0.00 H ATOM 446 HG SER B 9 -1.391 3.425 -12.957 1.00 0.00 H ATOM 447 N HIS B 10 -0.491 1.719 -11.287 1.00 0.00 N ATOM 448 CA HIS B 10 0.866 1.286 -10.884 1.00 0.00 C ATOM 449 C HIS B 10 0.741 0.607 -9.539 1.00 0.00 C ATOM 450 O HIS B 10 1.377 -0.388 -9.257 1.00 0.00 O ATOM 451 CB HIS B 10 1.687 2.567 -10.796 1.00 0.00 C ATOM 452 CG HIS B 10 2.520 2.715 -12.039 1.00 0.00 C ATOM 453 ND1 HIS B 10 3.904 2.777 -11.997 1.00 0.00 N ATOM 454 CD2 HIS B 10 2.180 2.817 -13.365 1.00 0.00 C ATOM 455 CE1 HIS B 10 4.343 2.912 -13.261 1.00 0.00 C ATOM 456 NE2 HIS B 10 3.333 2.942 -14.135 1.00 0.00 N ATOM 457 H HIS B 10 -0.779 2.652 -11.151 1.00 0.00 H ATOM 458 HA HIS B 10 1.287 0.614 -11.616 1.00 0.00 H ATOM 459 HB2 HIS B 10 1.021 3.412 -10.709 1.00 0.00 H ATOM 460 HB3 HIS B 10 2.328 2.521 -9.933 1.00 0.00 H ATOM 461 HD1 HIS B 10 4.461 2.727 -11.192 1.00 0.00 H ATOM 462 HD2 HIS B 10 1.172 2.800 -13.752 1.00 0.00 H ATOM 463 HE1 HIS B 10 5.384 2.990 -13.536 1.00 0.00 H ATOM 464 N LEU B 11 -0.104 1.140 -8.712 1.00 0.00 N ATOM 465 CA LEU B 11 -0.315 0.532 -7.385 1.00 0.00 C ATOM 466 C LEU B 11 -0.915 -0.844 -7.537 1.00 0.00 C ATOM 467 O LEU B 11 -0.412 -1.800 -6.988 1.00 0.00 O ATOM 468 CB LEU B 11 -1.302 1.428 -6.669 1.00 0.00 C ATOM 469 CG LEU B 11 -0.511 2.472 -5.899 1.00 0.00 C ATOM 470 CD1 LEU B 11 -1.460 3.429 -5.187 1.00 0.00 C ATOM 471 CD2 LEU B 11 0.355 1.739 -4.876 1.00 0.00 C ATOM 472 H LEU B 11 -0.607 1.943 -8.976 1.00 0.00 H ATOM 473 HA LEU B 11 0.610 0.488 -6.836 1.00 0.00 H ATOM 474 HB2 LEU B 11 -1.956 1.888 -7.388 1.00 0.00 H ATOM 475 HB3 LEU B 11 -1.886 0.841 -5.976 1.00 0.00 H ATOM 476 HG LEU B 11 0.121 3.024 -6.578 1.00 0.00 H ATOM 477 HD11 LEU B 11 -2.366 3.533 -5.765 1.00 0.00 H ATOM 478 HD12 LEU B 11 -1.699 3.035 -4.214 1.00 0.00 H ATOM 479 HD13 LEU B 11 -0.985 4.391 -5.079 1.00 0.00 H ATOM 480 HD21 LEU B 11 0.251 0.672 -5.018 1.00 0.00 H ATOM 481 HD22 LEU B 11 1.388 2.020 -5.010 1.00 0.00 H ATOM 482 HD23 LEU B 11 0.034 1.999 -3.880 1.00 0.00 H ATOM 483 N VAL B 12 -1.987 -0.979 -8.274 1.00 0.00 N ATOM 484 CA VAL B 12 -2.562 -2.320 -8.403 1.00 0.00 C ATOM 485 C VAL B 12 -1.438 -3.277 -8.796 1.00 0.00 C ATOM 486 O VAL B 12 -1.472 -4.447 -8.488 1.00 0.00 O ATOM 487 CB VAL B 12 -3.648 -2.204 -9.478 1.00 0.00 C ATOM 488 CG1 VAL B 12 -3.680 -3.459 -10.354 1.00 0.00 C ATOM 489 CG2 VAL B 12 -5.009 -2.027 -8.801 1.00 0.00 C ATOM 490 H VAL B 12 -2.405 -0.211 -8.731 1.00 0.00 H ATOM 491 HA VAL B 12 -2.991 -2.602 -7.464 1.00 0.00 H ATOM 492 HB VAL B 12 -3.443 -1.349 -10.088 1.00 0.00 H ATOM 493 HG11 VAL B 12 -3.801 -4.330 -9.728 1.00 0.00 H ATOM 494 HG12 VAL B 12 -4.507 -3.393 -11.045 1.00 0.00 H ATOM 495 HG13 VAL B 12 -2.754 -3.535 -10.903 1.00 0.00 H ATOM 496 HG21 VAL B 12 -4.865 -1.836 -7.748 1.00 0.00 H ATOM 497 HG22 VAL B 12 -5.529 -1.194 -9.250 1.00 0.00 H ATOM 498 HG23 VAL B 12 -5.595 -2.927 -8.926 1.00 0.00 H ATOM 499 N GLU B 13 -0.428 -2.770 -9.456 1.00 0.00 N ATOM 500 CA GLU B 13 0.713 -3.644 -9.846 1.00 0.00 C ATOM 501 C GLU B 13 1.819 -3.600 -8.771 1.00 0.00 C ATOM 502 O GLU B 13 2.669 -4.472 -8.709 1.00 0.00 O ATOM 503 CB GLU B 13 1.182 -3.084 -11.205 1.00 0.00 C ATOM 504 CG GLU B 13 2.656 -2.654 -11.154 1.00 0.00 C ATOM 505 CD GLU B 13 3.548 -3.895 -11.101 1.00 0.00 C ATOM 506 OE1 GLU B 13 3.048 -4.972 -11.383 1.00 0.00 O ATOM 507 OE2 GLU B 13 4.716 -3.749 -10.780 1.00 0.00 O ATOM 508 H GLU B 13 -0.416 -1.813 -9.682 1.00 0.00 H ATOM 509 HA GLU B 13 0.369 -4.656 -9.969 1.00 0.00 H ATOM 510 HB2 GLU B 13 1.063 -3.842 -11.962 1.00 0.00 H ATOM 511 HB3 GLU B 13 0.573 -2.234 -11.462 1.00 0.00 H ATOM 512 HG2 GLU B 13 2.892 -2.077 -12.038 1.00 0.00 H ATOM 513 HG3 GLU B 13 2.826 -2.052 -10.275 1.00 0.00 H ATOM 514 N ALA B 14 1.800 -2.623 -7.901 1.00 0.00 N ATOM 515 CA ALA B 14 2.840 -2.566 -6.835 1.00 0.00 C ATOM 516 C ALA B 14 2.238 -3.123 -5.561 1.00 0.00 C ATOM 517 O ALA B 14 2.927 -3.552 -4.656 1.00 0.00 O ATOM 518 CB ALA B 14 3.192 -1.084 -6.665 1.00 0.00 C ATOM 519 H ALA B 14 1.087 -1.948 -7.923 1.00 0.00 H ATOM 520 HA ALA B 14 3.711 -3.130 -7.124 1.00 0.00 H ATOM 521 HB1 ALA B 14 3.161 -0.591 -7.624 1.00 0.00 H ATOM 522 HB2 ALA B 14 2.480 -0.619 -5.998 1.00 0.00 H ATOM 523 HB3 ALA B 14 4.185 -0.995 -6.247 1.00 0.00 H ATOM 524 N LEU B 15 0.941 -3.127 -5.501 1.00 0.00 N ATOM 525 CA LEU B 15 0.249 -3.657 -4.316 1.00 0.00 C ATOM 526 C LEU B 15 0.019 -5.153 -4.521 1.00 0.00 C ATOM 527 O LEU B 15 -0.105 -5.907 -3.579 1.00 0.00 O ATOM 528 CB LEU B 15 -1.030 -2.833 -4.292 1.00 0.00 C ATOM 529 CG LEU B 15 -2.203 -3.629 -3.721 1.00 0.00 C ATOM 530 CD1 LEU B 15 -1.774 -4.332 -2.435 1.00 0.00 C ATOM 531 CD2 LEU B 15 -3.355 -2.672 -3.407 1.00 0.00 C ATOM 532 H LEU B 15 0.408 -2.782 -6.257 1.00 0.00 H ATOM 533 HA LEU B 15 0.831 -3.483 -3.425 1.00 0.00 H ATOM 534 HB2 LEU B 15 -0.866 -1.948 -3.713 1.00 0.00 H ATOM 535 HB3 LEU B 15 -1.257 -2.540 -5.284 1.00 0.00 H ATOM 536 HG LEU B 15 -2.528 -4.358 -4.451 1.00 0.00 H ATOM 537 HD11 LEU B 15 -0.734 -4.117 -2.237 1.00 0.00 H ATOM 538 HD12 LEU B 15 -2.377 -3.976 -1.612 1.00 0.00 H ATOM 539 HD13 LEU B 15 -1.908 -5.397 -2.545 1.00 0.00 H ATOM 540 HD21 LEU B 15 -3.481 -1.979 -4.227 1.00 0.00 H ATOM 541 HD22 LEU B 15 -4.266 -3.237 -3.270 1.00 0.00 H ATOM 542 HD23 LEU B 15 -3.132 -2.124 -2.503 1.00 0.00 H ATOM 543 N TYR B 16 0.026 -5.601 -5.751 1.00 0.00 N ATOM 544 CA TYR B 16 -0.118 -7.060 -5.992 1.00 0.00 C ATOM 545 C TYR B 16 1.265 -7.681 -5.864 1.00 0.00 C ATOM 546 O TYR B 16 1.434 -8.770 -5.351 1.00 0.00 O ATOM 547 CB TYR B 16 -0.646 -7.212 -7.433 1.00 0.00 C ATOM 548 CG TYR B 16 0.357 -7.962 -8.302 1.00 0.00 C ATOM 549 CD1 TYR B 16 0.442 -9.362 -8.227 1.00 0.00 C ATOM 550 CD2 TYR B 16 1.206 -7.260 -9.174 1.00 0.00 C ATOM 551 CE1 TYR B 16 1.364 -10.054 -9.021 1.00 0.00 C ATOM 552 CE2 TYR B 16 2.129 -7.955 -9.966 1.00 0.00 C ATOM 553 CZ TYR B 16 2.206 -9.352 -9.891 1.00 0.00 C ATOM 554 OH TYR B 16 3.115 -10.036 -10.673 1.00 0.00 O ATOM 555 H TYR B 16 0.175 -4.987 -6.507 1.00 0.00 H ATOM 556 HA TYR B 16 -0.806 -7.499 -5.285 1.00 0.00 H ATOM 557 HB2 TYR B 16 -1.575 -7.758 -7.417 1.00 0.00 H ATOM 558 HB3 TYR B 16 -0.818 -6.240 -7.847 1.00 0.00 H ATOM 559 HD1 TYR B 16 -0.201 -9.907 -7.553 1.00 0.00 H ATOM 560 HD2 TYR B 16 1.156 -6.185 -9.228 1.00 0.00 H ATOM 561 HE1 TYR B 16 1.428 -11.131 -8.962 1.00 0.00 H ATOM 562 HE2 TYR B 16 2.779 -7.414 -10.638 1.00 0.00 H ATOM 563 HH TYR B 16 3.664 -9.391 -11.123 1.00 0.00 H ATOM 564 N LEU B 17 2.258 -6.997 -6.367 1.00 0.00 N ATOM 565 CA LEU B 17 3.621 -7.563 -6.308 1.00 0.00 C ATOM 566 C LEU B 17 4.022 -7.660 -4.862 1.00 0.00 C ATOM 567 O LEU B 17 4.818 -8.492 -4.474 1.00 0.00 O ATOM 568 CB LEU B 17 4.546 -6.531 -6.947 1.00 0.00 C ATOM 569 CG LEU B 17 5.477 -7.158 -8.009 1.00 0.00 C ATOM 570 CD1 LEU B 17 5.682 -8.658 -7.759 1.00 0.00 C ATOM 571 CD2 LEU B 17 4.863 -6.960 -9.396 1.00 0.00 C ATOM 572 H LEU B 17 2.098 -6.131 -6.796 1.00 0.00 H ATOM 573 HA LEU B 17 3.664 -8.509 -6.815 1.00 0.00 H ATOM 574 HB2 LEU B 17 3.963 -5.753 -7.360 1.00 0.00 H ATOM 575 HB3 LEU B 17 5.170 -6.105 -6.172 1.00 0.00 H ATOM 576 HG LEU B 17 6.436 -6.662 -7.973 1.00 0.00 H ATOM 577 HD11 LEU B 17 5.616 -8.858 -6.701 1.00 0.00 H ATOM 578 HD12 LEU B 17 4.916 -9.214 -8.279 1.00 0.00 H ATOM 579 HD13 LEU B 17 6.653 -8.955 -8.124 1.00 0.00 H ATOM 580 HD21 LEU B 17 4.067 -6.233 -9.337 1.00 0.00 H ATOM 581 HD22 LEU B 17 5.622 -6.609 -10.079 1.00 0.00 H ATOM 582 HD23 LEU B 17 4.467 -7.900 -9.751 1.00 0.00 H ATOM 583 N VAL B 18 3.521 -6.761 -4.059 1.00 0.00 N ATOM 584 CA VAL B 18 3.943 -6.779 -2.660 1.00 0.00 C ATOM 585 C VAL B 18 3.156 -7.835 -1.867 1.00 0.00 C ATOM 586 O VAL B 18 3.660 -8.416 -0.926 1.00 0.00 O ATOM 587 CB VAL B 18 3.736 -5.353 -2.127 1.00 0.00 C ATOM 588 CG1 VAL B 18 2.276 -5.126 -1.749 1.00 0.00 C ATOM 589 CG2 VAL B 18 4.617 -5.149 -0.892 1.00 0.00 C ATOM 590 H VAL B 18 2.909 -6.065 -4.389 1.00 0.00 H ATOM 591 HA VAL B 18 4.989 -7.007 -2.662 1.00 0.00 H ATOM 592 HB VAL B 18 4.019 -4.642 -2.889 1.00 0.00 H ATOM 593 HG11 VAL B 18 1.638 -5.643 -2.448 1.00 0.00 H ATOM 594 HG12 VAL B 18 2.101 -5.502 -0.751 1.00 0.00 H ATOM 595 HG13 VAL B 18 2.060 -4.068 -1.777 1.00 0.00 H ATOM 596 HG21 VAL B 18 5.562 -5.652 -1.037 1.00 0.00 H ATOM 597 HG22 VAL B 18 4.791 -4.094 -0.743 1.00 0.00 H ATOM 598 HG23 VAL B 18 4.121 -5.560 -0.025 1.00 0.00 H ATOM 599 N CYS B 19 1.939 -8.121 -2.265 1.00 0.00 N ATOM 600 CA CYS B 19 1.148 -9.183 -1.553 1.00 0.00 C ATOM 601 C CYS B 19 0.833 -10.294 -2.571 1.00 0.00 C ATOM 602 O CYS B 19 1.547 -11.274 -2.663 1.00 0.00 O ATOM 603 CB CYS B 19 -0.158 -8.543 -1.013 1.00 0.00 C ATOM 604 SG CYS B 19 -0.056 -6.742 -0.963 1.00 0.00 S ATOM 605 H CYS B 19 1.564 -7.666 -3.046 1.00 0.00 H ATOM 606 HA CYS B 19 1.728 -9.588 -0.736 1.00 0.00 H ATOM 607 HB2 CYS B 19 -0.990 -8.832 -1.629 1.00 0.00 H ATOM 608 HB3 CYS B 19 -0.329 -8.897 -0.001 1.00 0.00 H ATOM 609 N GLY B 20 -0.198 -10.137 -3.368 1.00 0.00 N ATOM 610 CA GLY B 20 -0.509 -11.165 -4.404 1.00 0.00 C ATOM 611 C GLY B 20 -0.940 -12.483 -3.772 1.00 0.00 C ATOM 612 O GLY B 20 -2.050 -12.940 -3.961 1.00 0.00 O ATOM 613 H GLY B 20 -0.750 -9.332 -3.310 1.00 0.00 H ATOM 614 HA2 GLY B 20 -1.299 -10.805 -5.033 1.00 0.00 H ATOM 615 HA3 GLY B 20 0.371 -11.335 -5.002 1.00 0.00 H ATOM 616 N GLU B 21 -0.069 -13.112 -3.048 1.00 0.00 N ATOM 617 CA GLU B 21 -0.421 -14.423 -2.426 1.00 0.00 C ATOM 618 C GLU B 21 -1.335 -14.230 -1.218 1.00 0.00 C ATOM 619 O GLU B 21 -1.109 -14.785 -0.160 1.00 0.00 O ATOM 620 CB GLU B 21 0.913 -15.038 -2.008 1.00 0.00 C ATOM 621 CG GLU B 21 1.615 -15.616 -3.238 1.00 0.00 C ATOM 622 CD GLU B 21 2.947 -16.240 -2.820 1.00 0.00 C ATOM 623 OE1 GLU B 21 2.919 -17.315 -2.241 1.00 0.00 O ATOM 624 OE2 GLU B 21 3.973 -15.634 -3.087 1.00 0.00 O ATOM 625 H GLU B 21 0.821 -12.733 -2.927 1.00 0.00 H ATOM 626 HA GLU B 21 -0.903 -15.054 -3.153 1.00 0.00 H ATOM 627 HB2 GLU B 21 1.536 -14.275 -1.561 1.00 0.00 H ATOM 628 HB3 GLU B 21 0.738 -15.826 -1.291 1.00 0.00 H ATOM 629 HG2 GLU B 21 0.988 -16.373 -3.688 1.00 0.00 H ATOM 630 HG3 GLU B 21 1.797 -14.827 -3.952 1.00 0.00 H ATOM 631 N ARG B 22 -2.375 -13.466 -1.383 1.00 0.00 N ATOM 632 CA ARG B 22 -3.336 -13.232 -0.266 1.00 0.00 C ATOM 633 C ARG B 22 -4.371 -12.187 -0.676 1.00 0.00 C ATOM 634 O ARG B 22 -5.462 -12.132 -0.142 1.00 0.00 O ATOM 635 CB ARG B 22 -2.498 -12.707 0.900 1.00 0.00 C ATOM 636 CG ARG B 22 -3.069 -13.246 2.213 1.00 0.00 C ATOM 637 CD ARG B 22 -2.886 -14.765 2.267 1.00 0.00 C ATOM 638 NE ARG B 22 -3.448 -15.173 3.584 1.00 0.00 N ATOM 639 CZ ARG B 22 -2.745 -15.922 4.388 1.00 0.00 C ATOM 640 NH1 ARG B 22 -1.839 -15.384 5.158 1.00 0.00 N ATOM 641 NH2 ARG B 22 -2.949 -17.211 4.426 1.00 0.00 N ATOM 642 H ARG B 22 -2.535 -13.056 -2.256 1.00 0.00 H ATOM 643 HA ARG B 22 -3.822 -14.149 0.009 1.00 0.00 H ATOM 644 HB2 ARG B 22 -1.475 -13.028 0.789 1.00 0.00 H ATOM 645 HB3 ARG B 22 -2.536 -11.630 0.909 1.00 0.00 H ATOM 646 HG2 ARG B 22 -2.550 -12.791 3.045 1.00 0.00 H ATOM 647 HG3 ARG B 22 -4.121 -13.010 2.273 1.00 0.00 H ATOM 648 HD2 ARG B 22 -3.432 -15.238 1.461 1.00 0.00 H ATOM 649 HD3 ARG B 22 -1.840 -15.021 2.215 1.00 0.00 H ATOM 650 HE ARG B 22 -4.344 -14.877 3.847 1.00 0.00 H ATOM 651 HH11 ARG B 22 -1.684 -14.396 5.131 1.00 0.00 H ATOM 652 HH12 ARG B 22 -1.300 -15.956 5.774 1.00 0.00 H ATOM 653 HH21 ARG B 22 -3.643 -17.624 3.836 1.00 0.00 H ATOM 654 HH22 ARG B 22 -2.412 -17.785 5.044 1.00 0.00 H ATOM 655 N GLY B 23 -4.033 -11.352 -1.614 1.00 0.00 N ATOM 656 CA GLY B 23 -4.991 -10.302 -2.055 1.00 0.00 C ATOM 657 C GLY B 23 -4.968 -9.150 -1.051 1.00 0.00 C ATOM 658 O GLY B 23 -4.282 -9.203 -0.050 1.00 0.00 O ATOM 659 H GLY B 23 -3.145 -11.414 -2.024 1.00 0.00 H ATOM 660 HA2 GLY B 23 -4.705 -9.940 -3.032 1.00 0.00 H ATOM 661 HA3 GLY B 23 -5.987 -10.717 -2.100 1.00 0.00 H ATOM 662 N PHE B 24 -5.709 -8.108 -1.305 1.00 0.00 N ATOM 663 CA PHE B 24 -5.722 -6.959 -0.358 1.00 0.00 C ATOM 664 C PHE B 24 -7.080 -6.260 -0.395 1.00 0.00 C ATOM 665 O PHE B 24 -8.064 -6.815 -0.842 1.00 0.00 O ATOM 666 CB PHE B 24 -4.621 -6.021 -0.855 1.00 0.00 C ATOM 667 CG PHE B 24 -4.785 -5.794 -2.339 1.00 0.00 C ATOM 668 CD1 PHE B 24 -5.819 -4.975 -2.811 1.00 0.00 C ATOM 669 CD2 PHE B 24 -3.901 -6.398 -3.242 1.00 0.00 C ATOM 670 CE1 PHE B 24 -5.970 -4.763 -4.188 1.00 0.00 C ATOM 671 CE2 PHE B 24 -4.053 -6.186 -4.619 1.00 0.00 C ATOM 672 CZ PHE B 24 -5.087 -5.367 -5.092 1.00 0.00 C ATOM 673 H PHE B 24 -6.256 -8.082 -2.118 1.00 0.00 H ATOM 674 HA PHE B 24 -5.497 -7.292 0.644 1.00 0.00 H ATOM 675 HB2 PHE B 24 -4.689 -5.077 -0.335 1.00 0.00 H ATOM 676 HB3 PHE B 24 -3.657 -6.467 -0.664 1.00 0.00 H ATOM 677 HD1 PHE B 24 -6.500 -4.509 -2.115 1.00 0.00 H ATOM 678 HD2 PHE B 24 -3.103 -7.029 -2.877 1.00 0.00 H ATOM 679 HE1 PHE B 24 -6.767 -4.132 -4.554 1.00 0.00 H ATOM 680 HE2 PHE B 24 -3.371 -6.651 -5.315 1.00 0.00 H ATOM 681 HZ PHE B 24 -5.203 -5.204 -6.153 1.00 0.00 H ATOM 682 N PHE B 25 -7.139 -5.044 0.071 1.00 0.00 N ATOM 683 CA PHE B 25 -8.432 -4.302 0.065 1.00 0.00 C ATOM 684 C PHE B 25 -8.222 -2.882 -0.466 1.00 0.00 C ATOM 685 O PHE B 25 -8.099 -1.940 0.291 1.00 0.00 O ATOM 686 CB PHE B 25 -8.869 -4.266 1.530 1.00 0.00 C ATOM 687 CG PHE B 25 -10.095 -3.397 1.669 1.00 0.00 C ATOM 688 CD1 PHE B 25 -11.214 -3.635 0.862 1.00 0.00 C ATOM 689 CD2 PHE B 25 -10.114 -2.353 2.605 1.00 0.00 C ATOM 690 CE1 PHE B 25 -12.353 -2.830 0.988 1.00 0.00 C ATOM 691 CE2 PHE B 25 -11.255 -1.547 2.731 1.00 0.00 C ATOM 692 CZ PHE B 25 -12.374 -1.785 1.923 1.00 0.00 C ATOM 693 H PHE B 25 -6.332 -4.618 0.425 1.00 0.00 H ATOM 694 HA PHE B 25 -9.166 -4.824 -0.527 1.00 0.00 H ATOM 695 HB2 PHE B 25 -9.098 -5.268 1.863 1.00 0.00 H ATOM 696 HB3 PHE B 25 -8.071 -3.861 2.134 1.00 0.00 H ATOM 697 HD1 PHE B 25 -11.197 -4.439 0.141 1.00 0.00 H ATOM 698 HD2 PHE B 25 -9.252 -2.169 3.228 1.00 0.00 H ATOM 699 HE1 PHE B 25 -13.216 -3.014 0.364 1.00 0.00 H ATOM 700 HE2 PHE B 25 -11.271 -0.742 3.452 1.00 0.00 H ATOM 701 HZ PHE B 25 -13.253 -1.166 2.020 1.00 0.00 H ATOM 702 N TYR B 26 -8.178 -2.718 -1.760 1.00 0.00 N ATOM 703 CA TYR B 26 -7.975 -1.354 -2.326 1.00 0.00 C ATOM 704 C TYR B 26 -8.836 -1.153 -3.583 1.00 0.00 C ATOM 705 O TYR B 26 -8.456 -1.529 -4.675 1.00 0.00 O ATOM 706 CB TYR B 26 -6.484 -1.277 -2.677 1.00 0.00 C ATOM 707 CG TYR B 26 -6.295 -0.220 -3.735 1.00 0.00 C ATOM 708 CD1 TYR B 26 -6.821 1.058 -3.527 1.00 0.00 C ATOM 709 CD2 TYR B 26 -5.637 -0.525 -4.931 1.00 0.00 C ATOM 710 CE1 TYR B 26 -6.688 2.041 -4.512 1.00 0.00 C ATOM 711 CE2 TYR B 26 -5.505 0.457 -5.923 1.00 0.00 C ATOM 712 CZ TYR B 26 -6.030 1.742 -5.713 1.00 0.00 C ATOM 713 OH TYR B 26 -5.902 2.708 -6.690 1.00 0.00 O ATOM 714 H TYR B 26 -8.279 -3.488 -2.359 1.00 0.00 H ATOM 715 HA TYR B 26 -8.214 -0.606 -1.587 1.00 0.00 H ATOM 716 HB2 TYR B 26 -5.917 -1.016 -1.795 1.00 0.00 H ATOM 717 HB3 TYR B 26 -6.150 -2.232 -3.054 1.00 0.00 H ATOM 718 HD1 TYR B 26 -7.325 1.286 -2.600 1.00 0.00 H ATOM 719 HD2 TYR B 26 -5.228 -1.514 -5.090 1.00 0.00 H ATOM 720 HE1 TYR B 26 -7.099 3.026 -4.347 1.00 0.00 H ATOM 721 HE2 TYR B 26 -5.004 0.224 -6.846 1.00 0.00 H ATOM 722 HH TYR B 26 -5.805 3.557 -6.255 1.00 0.00 H ATOM 723 N THR B 27 -9.989 -0.571 -3.434 1.00 0.00 N ATOM 724 CA THR B 27 -10.877 -0.351 -4.614 1.00 0.00 C ATOM 725 C THR B 27 -11.129 1.147 -4.947 1.00 0.00 C ATOM 726 O THR B 27 -11.683 1.429 -5.991 1.00 0.00 O ATOM 727 CB THR B 27 -12.189 -0.998 -4.199 1.00 0.00 C ATOM 728 OG1 THR B 27 -13.140 -0.878 -5.250 1.00 0.00 O ATOM 729 CG2 THR B 27 -12.697 -0.281 -2.953 1.00 0.00 C ATOM 730 H THR B 27 -10.281 -0.293 -2.544 1.00 0.00 H ATOM 731 HA THR B 27 -10.485 -0.863 -5.477 1.00 0.00 H ATOM 732 HB THR B 27 -12.025 -2.040 -3.970 1.00 0.00 H ATOM 733 HG1 THR B 27 -12.857 -0.167 -5.829 1.00 0.00 H ATOM 734 HG21 THR B 27 -12.528 0.781 -3.059 1.00 0.00 H ATOM 735 HG22 THR B 27 -13.751 -0.468 -2.834 1.00 0.00 H ATOM 736 HG23 THR B 27 -12.161 -0.645 -2.089 1.00 0.00 H ATOM 737 N PRO B 28 -10.768 2.073 -4.074 1.00 0.00 N ATOM 738 CA PRO B 28 -11.039 3.505 -4.372 1.00 0.00 C ATOM 739 C PRO B 28 -10.119 4.037 -5.469 1.00 0.00 C ATOM 740 O PRO B 28 -9.050 3.514 -5.718 1.00 0.00 O ATOM 741 CB PRO B 28 -10.762 4.213 -3.049 1.00 0.00 C ATOM 742 CG PRO B 28 -9.811 3.324 -2.333 1.00 0.00 C ATOM 743 CD PRO B 28 -10.095 1.915 -2.778 1.00 0.00 C ATOM 744 HA PRO B 28 -12.072 3.643 -4.647 1.00 0.00 H ATOM 745 HB2 PRO B 28 -10.311 5.181 -3.222 1.00 0.00 H ATOM 746 HB3 PRO B 28 -11.671 4.316 -2.480 1.00 0.00 H ATOM 747 HG2 PRO B 28 -8.794 3.596 -2.581 1.00 0.00 H ATOM 748 HG3 PRO B 28 -9.969 3.409 -1.276 1.00 0.00 H ATOM 749 HD2 PRO B 28 -9.171 1.366 -2.891 1.00 0.00 H ATOM 750 HD3 PRO B 28 -10.749 1.423 -2.076 1.00 0.00 H ATOM 751 N LYS B 29 -10.537 5.086 -6.121 1.00 0.00 N ATOM 752 CA LYS B 29 -9.710 5.689 -7.206 1.00 0.00 C ATOM 753 C LYS B 29 -9.849 7.213 -7.182 1.00 0.00 C ATOM 754 O LYS B 29 -10.286 7.822 -8.140 1.00 0.00 O ATOM 755 CB LYS B 29 -10.288 5.128 -8.503 1.00 0.00 C ATOM 756 CG LYS B 29 -9.678 3.756 -8.790 1.00 0.00 C ATOM 757 CD LYS B 29 -10.059 3.317 -10.205 1.00 0.00 C ATOM 758 CE LYS B 29 -9.248 4.125 -11.223 1.00 0.00 C ATOM 759 NZ LYS B 29 -7.822 3.779 -10.952 1.00 0.00 N ATOM 760 H LYS B 29 -11.402 5.482 -5.889 1.00 0.00 H ATOM 761 HA LYS B 29 -8.677 5.400 -7.104 1.00 0.00 H ATOM 762 HB2 LYS B 29 -11.358 5.033 -8.406 1.00 0.00 H ATOM 763 HB3 LYS B 29 -10.058 5.798 -9.319 1.00 0.00 H ATOM 764 HG2 LYS B 29 -8.602 3.815 -8.707 1.00 0.00 H ATOM 765 HG3 LYS B 29 -10.055 3.036 -8.078 1.00 0.00 H ATOM 766 HD2 LYS B 29 -9.847 2.265 -10.326 1.00 0.00 H ATOM 767 HD3 LYS B 29 -11.111 3.495 -10.365 1.00 0.00 H ATOM 768 HE2 LYS B 29 -9.522 3.840 -12.230 1.00 0.00 H ATOM 769 HE3 LYS B 29 -9.406 5.182 -11.075 1.00 0.00 H ATOM 770 HZ1 LYS B 29 -7.770 3.041 -10.220 1.00 0.00 H ATOM 771 HZ2 LYS B 29 -7.379 3.428 -11.825 1.00 0.00 H ATOM 772 HZ3 LYS B 29 -7.318 4.629 -10.626 1.00 0.00 H ATOM 773 N THR B 30 -9.485 7.836 -6.095 1.00 0.00 N ATOM 774 CA THR B 30 -9.601 9.321 -6.010 1.00 0.00 C ATOM 775 C THR B 30 -11.054 9.755 -6.230 1.00 0.00 C ATOM 776 O THR B 30 -11.298 10.480 -7.180 1.00 0.00 O ATOM 777 CB THR B 30 -8.709 9.852 -7.133 1.00 0.00 C ATOM 778 OG1 THR B 30 -7.581 9.001 -7.280 1.00 0.00 O ATOM 779 CG2 THR B 30 -8.243 11.267 -6.791 1.00 0.00 C ATOM 780 OXT THR B 30 -11.896 9.354 -5.444 1.00 0.00 O ATOM 781 H THR B 30 -9.137 7.327 -5.333 1.00 0.00 H ATOM 782 HA THR B 30 -9.242 9.674 -5.057 1.00 0.00 H ATOM 783 HB THR B 30 -9.265 9.873 -8.058 1.00 0.00 H ATOM 784 HG1 THR B 30 -7.112 8.983 -6.442 1.00 0.00 H ATOM 785 HG21 THR B 30 -8.861 11.668 -6.001 1.00 0.00 H ATOM 786 HG22 THR B 30 -7.214 11.239 -6.465 1.00 0.00 H ATOM 787 HG23 THR B 30 -8.325 11.894 -7.667 1.00 0.00 H TER 788 THR B 30 ENDMDL MODEL 10 ATOM 1 N GLY A 1 -6.662 6.219 1.953 1.00 0.00 N ATOM 2 CA GLY A 1 -6.873 6.412 0.491 1.00 0.00 C ATOM 3 C GLY A 1 -5.568 6.135 -0.257 1.00 0.00 C ATOM 4 O GLY A 1 -5.053 6.984 -0.957 1.00 0.00 O ATOM 5 H1 GLY A 1 -5.806 6.728 2.251 1.00 0.00 H ATOM 6 H2 GLY A 1 -7.485 6.587 2.473 1.00 0.00 H ATOM 7 H3 GLY A 1 -6.548 5.206 2.157 1.00 0.00 H ATOM 8 HA2 GLY A 1 -7.640 5.733 0.145 1.00 0.00 H ATOM 9 HA3 GLY A 1 -7.182 7.429 0.302 1.00 0.00 H ATOM 10 N ILE A 2 -5.027 4.952 -0.106 1.00 0.00 N ATOM 11 CA ILE A 2 -3.744 4.607 -0.802 1.00 0.00 C ATOM 12 C ILE A 2 -3.709 5.226 -2.207 1.00 0.00 C ATOM 13 O ILE A 2 -2.657 5.536 -2.731 1.00 0.00 O ATOM 14 CB ILE A 2 -3.678 3.055 -0.851 1.00 0.00 C ATOM 15 CG1 ILE A 2 -2.962 2.588 -2.133 1.00 0.00 C ATOM 16 CG2 ILE A 2 -5.080 2.438 -0.798 1.00 0.00 C ATOM 17 CD1 ILE A 2 -3.898 2.695 -3.348 1.00 0.00 C ATOM 18 H ILE A 2 -5.462 4.293 0.474 1.00 0.00 H ATOM 19 HA ILE A 2 -2.916 4.982 -0.228 1.00 0.00 H ATOM 20 HB ILE A 2 -3.118 2.702 0.006 1.00 0.00 H ATOM 21 HG12 ILE A 2 -2.092 3.205 -2.299 1.00 0.00 H ATOM 22 HG13 ILE A 2 -2.652 1.561 -2.013 1.00 0.00 H ATOM 23 HG21 ILE A 2 -5.800 3.146 -1.178 1.00 0.00 H ATOM 24 HG22 ILE A 2 -5.102 1.542 -1.399 1.00 0.00 H ATOM 25 HG23 ILE A 2 -5.325 2.191 0.225 1.00 0.00 H ATOM 26 HD11 ILE A 2 -4.926 2.727 -3.024 1.00 0.00 H ATOM 27 HD12 ILE A 2 -3.668 3.596 -3.897 1.00 0.00 H ATOM 28 HD13 ILE A 2 -3.752 1.840 -3.989 1.00 0.00 H ATOM 29 N VAL A 3 -4.843 5.409 -2.818 1.00 0.00 N ATOM 30 CA VAL A 3 -4.864 6.009 -4.189 1.00 0.00 C ATOM 31 C VAL A 3 -4.236 7.405 -4.169 1.00 0.00 C ATOM 32 O VAL A 3 -3.682 7.860 -5.150 1.00 0.00 O ATOM 33 CB VAL A 3 -6.342 6.096 -4.573 1.00 0.00 C ATOM 34 CG1 VAL A 3 -6.862 4.703 -4.930 1.00 0.00 C ATOM 35 CG2 VAL A 3 -7.145 6.649 -3.395 1.00 0.00 C ATOM 36 H VAL A 3 -5.678 5.153 -2.379 1.00 0.00 H ATOM 37 HA VAL A 3 -4.340 5.373 -4.884 1.00 0.00 H ATOM 38 HB VAL A 3 -6.452 6.750 -5.425 1.00 0.00 H ATOM 39 HG11 VAL A 3 -6.030 4.058 -5.173 1.00 0.00 H ATOM 40 HG12 VAL A 3 -7.398 4.296 -4.088 1.00 0.00 H ATOM 41 HG13 VAL A 3 -7.525 4.772 -5.780 1.00 0.00 H ATOM 42 HG21 VAL A 3 -6.477 6.874 -2.577 1.00 0.00 H ATOM 43 HG22 VAL A 3 -7.657 7.551 -3.699 1.00 0.00 H ATOM 44 HG23 VAL A 3 -7.870 5.915 -3.075 1.00 0.00 H ATOM 45 N GLU A 4 -4.318 8.090 -3.062 1.00 0.00 N ATOM 46 CA GLU A 4 -3.723 9.457 -2.987 1.00 0.00 C ATOM 47 C GLU A 4 -2.305 9.374 -2.421 1.00 0.00 C ATOM 48 O GLU A 4 -1.622 10.368 -2.283 1.00 0.00 O ATOM 49 CB GLU A 4 -4.631 10.255 -2.040 1.00 0.00 C ATOM 50 CG GLU A 4 -6.083 9.794 -2.192 1.00 0.00 C ATOM 51 CD GLU A 4 -7.017 11.003 -2.133 1.00 0.00 C ATOM 52 OE1 GLU A 4 -6.944 11.737 -1.161 1.00 0.00 O ATOM 53 OE2 GLU A 4 -7.791 11.174 -3.062 1.00 0.00 O ATOM 54 H GLU A 4 -4.769 7.708 -2.282 1.00 0.00 H ATOM 55 HA GLU A 4 -3.713 9.918 -3.963 1.00 0.00 H ATOM 56 HB2 GLU A 4 -4.309 10.099 -1.021 1.00 0.00 H ATOM 57 HB3 GLU A 4 -4.563 11.306 -2.280 1.00 0.00 H ATOM 58 HG2 GLU A 4 -6.202 9.290 -3.140 1.00 0.00 H ATOM 59 HG3 GLU A 4 -6.327 9.112 -1.391 1.00 0.00 H ATOM 60 N GLN A 5 -1.860 8.194 -2.087 1.00 0.00 N ATOM 61 CA GLN A 5 -0.488 8.054 -1.525 1.00 0.00 C ATOM 62 C GLN A 5 0.541 7.742 -2.641 1.00 0.00 C ATOM 63 O GLN A 5 1.290 8.612 -3.038 1.00 0.00 O ATOM 64 CB GLN A 5 -0.607 6.944 -0.455 1.00 0.00 C ATOM 65 CG GLN A 5 0.591 5.990 -0.513 1.00 0.00 C ATOM 66 CD GLN A 5 0.945 5.525 0.899 1.00 0.00 C ATOM 67 OE1 GLN A 5 0.400 4.555 1.387 1.00 0.00 O ATOM 68 NE2 GLN A 5 1.843 6.182 1.581 1.00 0.00 N ATOM 69 H GLN A 5 -2.429 7.403 -2.201 1.00 0.00 H ATOM 70 HA GLN A 5 -0.211 8.978 -1.041 1.00 0.00 H ATOM 71 HB2 GLN A 5 -0.633 7.408 0.520 1.00 0.00 H ATOM 72 HB3 GLN A 5 -1.526 6.390 -0.601 1.00 0.00 H ATOM 73 HG2 GLN A 5 0.340 5.134 -1.121 1.00 0.00 H ATOM 74 HG3 GLN A 5 1.439 6.500 -0.940 1.00 0.00 H ATOM 75 HE21 GLN A 5 2.284 6.963 1.185 1.00 0.00 H ATOM 76 HE22 GLN A 5 2.079 5.893 2.487 1.00 0.00 H ATOM 77 N CYS A 6 0.615 6.528 -3.144 1.00 0.00 N ATOM 78 CA CYS A 6 1.634 6.248 -4.207 1.00 0.00 C ATOM 79 C CYS A 6 1.349 7.037 -5.490 1.00 0.00 C ATOM 80 O CYS A 6 2.213 7.204 -6.299 1.00 0.00 O ATOM 81 CB CYS A 6 1.620 4.727 -4.483 1.00 0.00 C ATOM 82 SG CYS A 6 1.370 3.799 -2.959 1.00 0.00 S ATOM 83 H CYS A 6 0.033 5.819 -2.822 1.00 0.00 H ATOM 84 HA CYS A 6 2.610 6.527 -3.847 1.00 0.00 H ATOM 85 HB2 CYS A 6 0.849 4.474 -5.190 1.00 0.00 H ATOM 86 HB3 CYS A 6 2.575 4.443 -4.898 1.00 0.00 H ATOM 87 N CYS A 7 0.183 7.545 -5.711 1.00 0.00 N ATOM 88 CA CYS A 7 -0.004 8.316 -6.979 1.00 0.00 C ATOM 89 C CYS A 7 0.424 9.758 -6.747 1.00 0.00 C ATOM 90 O CYS A 7 1.218 10.317 -7.478 1.00 0.00 O ATOM 91 CB CYS A 7 -1.492 8.251 -7.283 1.00 0.00 C ATOM 92 SG CYS A 7 -1.830 8.863 -8.953 1.00 0.00 S ATOM 93 H CYS A 7 -0.549 7.443 -5.065 1.00 0.00 H ATOM 94 HA CYS A 7 0.574 7.872 -7.778 1.00 0.00 H ATOM 95 HB2 CYS A 7 -1.833 7.242 -7.189 1.00 0.00 H ATOM 96 HB3 CYS A 7 -2.007 8.860 -6.581 1.00 0.00 H ATOM 97 N THR A 8 -0.101 10.353 -5.723 1.00 0.00 N ATOM 98 CA THR A 8 0.256 11.759 -5.402 1.00 0.00 C ATOM 99 C THR A 8 1.477 11.780 -4.472 1.00 0.00 C ATOM 100 O THR A 8 1.623 12.648 -3.633 1.00 0.00 O ATOM 101 CB THR A 8 -0.990 12.304 -4.701 1.00 0.00 C ATOM 102 OG1 THR A 8 -2.031 12.463 -5.655 1.00 0.00 O ATOM 103 CG2 THR A 8 -0.681 13.655 -4.055 1.00 0.00 C ATOM 104 H THR A 8 -0.736 9.866 -5.155 1.00 0.00 H ATOM 105 HA THR A 8 0.451 12.318 -6.304 1.00 0.00 H ATOM 106 HB THR A 8 -1.303 11.606 -3.940 1.00 0.00 H ATOM 107 HG1 THR A 8 -2.833 12.091 -5.283 1.00 0.00 H ATOM 108 HG21 THR A 8 0.167 14.105 -4.548 1.00 0.00 H ATOM 109 HG22 THR A 8 -1.540 14.304 -4.152 1.00 0.00 H ATOM 110 HG23 THR A 8 -0.456 13.510 -3.010 1.00 0.00 H ATOM 111 N SER A 9 2.359 10.823 -4.615 1.00 0.00 N ATOM 112 CA SER A 9 3.570 10.780 -3.742 1.00 0.00 C ATOM 113 C SER A 9 4.300 9.444 -3.921 1.00 0.00 C ATOM 114 O SER A 9 3.971 8.658 -4.787 1.00 0.00 O ATOM 115 CB SER A 9 3.036 10.909 -2.313 1.00 0.00 C ATOM 116 OG SER A 9 3.891 10.204 -1.422 1.00 0.00 O ATOM 117 H SER A 9 2.224 10.130 -5.298 1.00 0.00 H ATOM 118 HA SER A 9 4.228 11.604 -3.966 1.00 0.00 H ATOM 119 HB2 SER A 9 3.010 11.947 -2.029 1.00 0.00 H ATOM 120 HB3 SER A 9 2.036 10.500 -2.266 1.00 0.00 H ATOM 121 HG SER A 9 3.690 10.490 -0.527 1.00 0.00 H ATOM 122 N ILE A 10 5.284 9.179 -3.105 1.00 0.00 N ATOM 123 CA ILE A 10 6.028 7.894 -3.223 1.00 0.00 C ATOM 124 C ILE A 10 5.807 7.038 -1.972 1.00 0.00 C ATOM 125 O ILE A 10 6.142 7.431 -0.872 1.00 0.00 O ATOM 126 CB ILE A 10 7.498 8.288 -3.337 1.00 0.00 C ATOM 127 CG1 ILE A 10 7.724 9.066 -4.637 1.00 0.00 C ATOM 128 CG2 ILE A 10 8.362 7.027 -3.340 1.00 0.00 C ATOM 129 CD1 ILE A 10 8.270 10.458 -4.313 1.00 0.00 C ATOM 130 H ILE A 10 5.530 9.824 -2.409 1.00 0.00 H ATOM 131 HA ILE A 10 5.718 7.358 -4.107 1.00 0.00 H ATOM 132 HB ILE A 10 7.767 8.904 -2.494 1.00 0.00 H ATOM 133 HG12 ILE A 10 8.434 8.535 -5.255 1.00 0.00 H ATOM 134 HG13 ILE A 10 6.788 9.163 -5.166 1.00 0.00 H ATOM 135 HG21 ILE A 10 7.842 6.235 -3.860 1.00 0.00 H ATOM 136 HG22 ILE A 10 9.297 7.230 -3.838 1.00 0.00 H ATOM 137 HG23 ILE A 10 8.555 6.721 -2.322 1.00 0.00 H ATOM 138 HD11 ILE A 10 8.518 10.513 -3.264 1.00 0.00 H ATOM 139 HD12 ILE A 10 9.157 10.642 -4.901 1.00 0.00 H ATOM 140 HD13 ILE A 10 7.523 11.202 -4.547 1.00 0.00 H ATOM 141 N CYS A 11 5.254 5.872 -2.135 1.00 0.00 N ATOM 142 CA CYS A 11 5.017 4.983 -0.955 1.00 0.00 C ATOM 143 C CYS A 11 5.913 3.744 -1.063 1.00 0.00 C ATOM 144 O CYS A 11 6.213 3.283 -2.146 1.00 0.00 O ATOM 145 CB CYS A 11 3.531 4.609 -1.028 1.00 0.00 C ATOM 146 SG CYS A 11 3.257 3.427 -2.370 1.00 0.00 S ATOM 147 H CYS A 11 5.000 5.576 -3.033 1.00 0.00 H ATOM 148 HA CYS A 11 5.221 5.514 -0.039 1.00 0.00 H ATOM 149 HB2 CYS A 11 3.215 4.171 -0.098 1.00 0.00 H ATOM 150 HB3 CYS A 11 2.953 5.497 -1.206 1.00 0.00 H ATOM 151 N SER A 12 6.359 3.211 0.042 1.00 0.00 N ATOM 152 CA SER A 12 7.255 2.015 -0.026 1.00 0.00 C ATOM 153 C SER A 12 6.515 0.713 0.247 1.00 0.00 C ATOM 154 O SER A 12 5.305 0.660 0.337 1.00 0.00 O ATOM 155 CB SER A 12 8.318 2.224 1.044 1.00 0.00 C ATOM 156 OG SER A 12 7.890 3.225 1.958 1.00 0.00 O ATOM 157 H SER A 12 6.120 3.601 0.909 1.00 0.00 H ATOM 158 HA SER A 12 7.729 1.969 -0.992 1.00 0.00 H ATOM 159 HB2 SER A 12 8.466 1.302 1.581 1.00 0.00 H ATOM 160 HB3 SER A 12 9.243 2.506 0.573 1.00 0.00 H ATOM 161 HG SER A 12 8.667 3.574 2.402 1.00 0.00 H ATOM 162 N LEU A 13 7.267 -0.343 0.376 1.00 0.00 N ATOM 163 CA LEU A 13 6.660 -1.681 0.638 1.00 0.00 C ATOM 164 C LEU A 13 6.013 -1.706 2.024 1.00 0.00 C ATOM 165 O LEU A 13 4.938 -2.244 2.205 1.00 0.00 O ATOM 166 CB LEU A 13 7.835 -2.680 0.511 1.00 0.00 C ATOM 167 CG LEU A 13 7.691 -3.852 1.495 1.00 0.00 C ATOM 168 CD1 LEU A 13 8.020 -3.387 2.916 1.00 0.00 C ATOM 169 CD2 LEU A 13 6.262 -4.404 1.445 1.00 0.00 C ATOM 170 H LEU A 13 8.244 -0.247 0.299 1.00 0.00 H ATOM 171 HA LEU A 13 5.922 -1.896 -0.109 1.00 0.00 H ATOM 172 HB2 LEU A 13 7.852 -3.071 -0.495 1.00 0.00 H ATOM 173 HB3 LEU A 13 8.766 -2.167 0.700 1.00 0.00 H ATOM 174 HG LEU A 13 8.383 -4.630 1.214 1.00 0.00 H ATOM 175 HD11 LEU A 13 8.526 -2.434 2.876 1.00 0.00 H ATOM 176 HD12 LEU A 13 7.105 -3.285 3.483 1.00 0.00 H ATOM 177 HD13 LEU A 13 8.659 -4.114 3.395 1.00 0.00 H ATOM 178 HD21 LEU A 13 5.704 -3.889 0.677 1.00 0.00 H ATOM 179 HD22 LEU A 13 6.292 -5.460 1.220 1.00 0.00 H ATOM 180 HD23 LEU A 13 5.784 -4.252 2.400 1.00 0.00 H ATOM 181 N TYR A 14 6.643 -1.120 2.996 1.00 0.00 N ATOM 182 CA TYR A 14 6.044 -1.108 4.353 1.00 0.00 C ATOM 183 C TYR A 14 4.849 -0.159 4.360 1.00 0.00 C ATOM 184 O TYR A 14 3.889 -0.357 5.076 1.00 0.00 O ATOM 185 CB TYR A 14 7.138 -0.616 5.298 1.00 0.00 C ATOM 186 CG TYR A 14 6.721 -0.917 6.717 1.00 0.00 C ATOM 187 CD1 TYR A 14 5.705 -0.163 7.317 1.00 0.00 C ATOM 188 CD2 TYR A 14 7.341 -1.953 7.430 1.00 0.00 C ATOM 189 CE1 TYR A 14 5.308 -0.441 8.631 1.00 0.00 C ATOM 190 CE2 TYR A 14 6.943 -2.231 8.745 1.00 0.00 C ATOM 191 CZ TYR A 14 5.926 -1.475 9.345 1.00 0.00 C ATOM 192 OH TYR A 14 5.534 -1.749 10.639 1.00 0.00 O ATOM 193 H TYR A 14 7.494 -0.684 2.829 1.00 0.00 H ATOM 194 HA TYR A 14 5.736 -2.102 4.635 1.00 0.00 H ATOM 195 HB2 TYR A 14 8.065 -1.124 5.075 1.00 0.00 H ATOM 196 HB3 TYR A 14 7.270 0.449 5.179 1.00 0.00 H ATOM 197 HD1 TYR A 14 5.228 0.634 6.765 1.00 0.00 H ATOM 198 HD2 TYR A 14 8.121 -2.537 6.966 1.00 0.00 H ATOM 199 HE1 TYR A 14 4.525 0.142 9.091 1.00 0.00 H ATOM 200 HE2 TYR A 14 7.419 -3.029 9.296 1.00 0.00 H ATOM 201 HH TYR A 14 4.576 -1.803 10.651 1.00 0.00 H ATOM 202 N GLN A 15 4.889 0.859 3.541 1.00 0.00 N ATOM 203 CA GLN A 15 3.739 1.797 3.481 1.00 0.00 C ATOM 204 C GLN A 15 2.595 1.104 2.742 1.00 0.00 C ATOM 205 O GLN A 15 1.462 1.113 3.184 1.00 0.00 O ATOM 206 CB GLN A 15 4.250 3.025 2.718 1.00 0.00 C ATOM 207 CG GLN A 15 4.308 4.223 3.668 1.00 0.00 C ATOM 208 CD GLN A 15 4.917 5.423 2.941 1.00 0.00 C ATOM 209 OE1 GLN A 15 4.219 6.357 2.598 1.00 0.00 O ATOM 210 NE2 GLN A 15 6.196 5.437 2.689 1.00 0.00 N ATOM 211 H GLN A 15 5.662 0.988 2.949 1.00 0.00 H ATOM 212 HA GLN A 15 3.428 2.077 4.474 1.00 0.00 H ATOM 213 HB2 GLN A 15 5.240 2.823 2.335 1.00 0.00 H ATOM 214 HB3 GLN A 15 3.586 3.254 1.898 1.00 0.00 H ATOM 215 HG2 GLN A 15 3.309 4.468 3.999 1.00 0.00 H ATOM 216 HG3 GLN A 15 4.920 3.975 4.523 1.00 0.00 H ATOM 217 HE21 GLN A 15 6.758 4.683 2.966 1.00 0.00 H ATOM 218 HE22 GLN A 15 6.596 6.200 2.223 1.00 0.00 H ATOM 219 N LEU A 16 2.889 0.451 1.646 1.00 0.00 N ATOM 220 CA LEU A 16 1.816 -0.280 0.928 1.00 0.00 C ATOM 221 C LEU A 16 1.470 -1.530 1.736 1.00 0.00 C ATOM 222 O LEU A 16 0.439 -2.145 1.552 1.00 0.00 O ATOM 223 CB LEU A 16 2.412 -0.652 -0.430 1.00 0.00 C ATOM 224 CG LEU A 16 1.285 -0.825 -1.448 1.00 0.00 C ATOM 225 CD1 LEU A 16 1.113 0.468 -2.248 1.00 0.00 C ATOM 226 CD2 LEU A 16 1.632 -1.971 -2.398 1.00 0.00 C ATOM 227 H LEU A 16 3.815 0.410 1.322 1.00 0.00 H ATOM 228 HA LEU A 16 0.952 0.348 0.801 1.00 0.00 H ATOM 229 HB2 LEU A 16 3.079 0.133 -0.758 1.00 0.00 H ATOM 230 HB3 LEU A 16 2.960 -1.577 -0.343 1.00 0.00 H ATOM 231 HG LEU A 16 0.365 -1.051 -0.929 1.00 0.00 H ATOM 232 HD11 LEU A 16 1.445 1.306 -1.654 1.00 0.00 H ATOM 233 HD12 LEU A 16 1.700 0.411 -3.153 1.00 0.00 H ATOM 234 HD13 LEU A 16 0.071 0.596 -2.503 1.00 0.00 H ATOM 235 HD21 LEU A 16 2.706 -2.051 -2.488 1.00 0.00 H ATOM 236 HD22 LEU A 16 1.234 -2.894 -2.007 1.00 0.00 H ATOM 237 HD23 LEU A 16 1.203 -1.776 -3.369 1.00 0.00 H ATOM 238 N GLU A 17 2.337 -1.893 2.644 1.00 0.00 N ATOM 239 CA GLU A 17 2.092 -3.086 3.498 1.00 0.00 C ATOM 240 C GLU A 17 0.739 -2.981 4.176 1.00 0.00 C ATOM 241 O GLU A 17 0.057 -3.965 4.392 1.00 0.00 O ATOM 242 CB GLU A 17 3.181 -3.020 4.550 1.00 0.00 C ATOM 243 CG GLU A 17 3.472 -4.421 5.071 1.00 0.00 C ATOM 244 CD GLU A 17 2.478 -4.769 6.180 1.00 0.00 C ATOM 245 OE1 GLU A 17 2.313 -3.958 7.077 1.00 0.00 O ATOM 246 OE2 GLU A 17 1.900 -5.842 6.116 1.00 0.00 O ATOM 247 H GLU A 17 3.159 -1.369 2.773 1.00 0.00 H ATOM 248 HA GLU A 17 2.176 -3.997 2.927 1.00 0.00 H ATOM 249 HB2 GLU A 17 4.067 -2.597 4.113 1.00 0.00 H ATOM 250 HB3 GLU A 17 2.853 -2.396 5.367 1.00 0.00 H ATOM 251 HG2 GLU A 17 3.381 -5.134 4.264 1.00 0.00 H ATOM 252 HG3 GLU A 17 4.468 -4.447 5.465 1.00 0.00 H ATOM 253 N ASN A 18 0.347 -1.791 4.522 1.00 0.00 N ATOM 254 CA ASN A 18 -0.968 -1.606 5.207 1.00 0.00 C ATOM 255 C ASN A 18 -2.143 -1.842 4.245 1.00 0.00 C ATOM 256 O ASN A 18 -3.210 -1.287 4.419 1.00 0.00 O ATOM 257 CB ASN A 18 -0.951 -0.154 5.688 1.00 0.00 C ATOM 258 CG ASN A 18 0.359 0.120 6.432 1.00 0.00 C ATOM 259 OD1 ASN A 18 1.168 -0.771 6.605 1.00 0.00 O ATOM 260 ND2 ASN A 18 0.604 1.319 6.882 1.00 0.00 N ATOM 261 H ASN A 18 0.924 -1.019 4.343 1.00 0.00 H ATOM 262 HA ASN A 18 -1.041 -2.266 6.055 1.00 0.00 H ATOM 263 HB2 ASN A 18 -1.030 0.508 4.837 1.00 0.00 H ATOM 264 HB3 ASN A 18 -1.784 0.015 6.355 1.00 0.00 H ATOM 265 HD21 ASN A 18 -0.046 2.039 6.742 1.00 0.00 H ATOM 266 HD22 ASN A 18 1.441 1.502 7.359 1.00 0.00 H ATOM 267 N TYR A 19 -1.972 -2.662 3.238 1.00 0.00 N ATOM 268 CA TYR A 19 -3.101 -2.916 2.294 1.00 0.00 C ATOM 269 C TYR A 19 -3.204 -4.411 1.948 1.00 0.00 C ATOM 270 O TYR A 19 -4.179 -4.853 1.373 1.00 0.00 O ATOM 271 CB TYR A 19 -2.778 -2.077 1.056 1.00 0.00 C ATOM 272 CG TYR A 19 -2.740 -0.616 1.447 1.00 0.00 C ATOM 273 CD1 TYR A 19 -3.847 -0.026 2.075 1.00 0.00 C ATOM 274 CD2 TYR A 19 -1.594 0.146 1.193 1.00 0.00 C ATOM 275 CE1 TYR A 19 -3.805 1.324 2.448 1.00 0.00 C ATOM 276 CE2 TYR A 19 -1.549 1.495 1.570 1.00 0.00 C ATOM 277 CZ TYR A 19 -2.656 2.084 2.196 1.00 0.00 C ATOM 278 OH TYR A 19 -2.612 3.413 2.568 1.00 0.00 O ATOM 279 H TYR A 19 -1.113 -3.109 3.105 1.00 0.00 H ATOM 280 HA TYR A 19 -4.028 -2.576 2.729 1.00 0.00 H ATOM 281 HB2 TYR A 19 -1.817 -2.372 0.660 1.00 0.00 H ATOM 282 HB3 TYR A 19 -3.540 -2.229 0.306 1.00 0.00 H ATOM 283 HD1 TYR A 19 -4.735 -0.609 2.268 1.00 0.00 H ATOM 284 HD2 TYR A 19 -0.745 -0.305 0.708 1.00 0.00 H ATOM 285 HE1 TYR A 19 -4.658 1.778 2.929 1.00 0.00 H ATOM 286 HE2 TYR A 19 -0.663 2.082 1.374 1.00 0.00 H ATOM 287 HH TYR A 19 -1.691 3.687 2.580 1.00 0.00 H ATOM 288 N CYS A 20 -2.218 -5.200 2.303 1.00 0.00 N ATOM 289 CA CYS A 20 -2.285 -6.661 2.003 1.00 0.00 C ATOM 290 C CYS A 20 -3.544 -7.256 2.645 1.00 0.00 C ATOM 291 O CYS A 20 -4.497 -6.557 2.922 1.00 0.00 O ATOM 292 CB CYS A 20 -1.030 -7.270 2.641 1.00 0.00 C ATOM 293 SG CYS A 20 0.432 -6.283 2.227 1.00 0.00 S ATOM 294 H CYS A 20 -1.447 -4.837 2.770 1.00 0.00 H ATOM 295 HA CYS A 20 -2.283 -6.832 0.939 1.00 0.00 H ATOM 296 HB2 CYS A 20 -1.151 -7.296 3.714 1.00 0.00 H ATOM 297 HB3 CYS A 20 -0.896 -8.278 2.274 1.00 0.00 H ATOM 298 N ASN A 21 -3.555 -8.539 2.892 1.00 0.00 N ATOM 299 CA ASN A 21 -4.756 -9.158 3.527 1.00 0.00 C ATOM 300 C ASN A 21 -4.964 -8.579 4.929 1.00 0.00 C ATOM 301 O ASN A 21 -6.108 -8.372 5.300 1.00 0.00 O ATOM 302 CB ASN A 21 -4.445 -10.652 3.608 1.00 0.00 C ATOM 303 CG ASN A 21 -5.457 -11.333 4.534 1.00 0.00 C ATOM 304 OD1 ASN A 21 -6.606 -11.502 4.178 1.00 0.00 O ATOM 305 ND2 ASN A 21 -5.074 -11.734 5.717 1.00 0.00 N ATOM 306 OXT ASN A 21 -3.975 -8.357 5.609 1.00 0.00 O ATOM 307 H ASN A 21 -2.776 -9.093 2.669 1.00 0.00 H ATOM 308 HA ASN A 21 -5.632 -8.994 2.917 1.00 0.00 H ATOM 309 HB2 ASN A 21 -4.510 -11.085 2.621 1.00 0.00 H ATOM 310 HB3 ASN A 21 -3.450 -10.792 4.000 1.00 0.00 H ATOM 311 HD21 ASN A 21 -4.148 -11.598 6.004 1.00 0.00 H ATOM 312 HD22 ASN A 21 -5.715 -12.170 6.317 1.00 0.00 H TER 313 ASN A 21 ATOM 314 N PHE B 1 8.728 -3.822 -6.406 1.00 0.00 N ATOM 315 CA PHE B 1 8.381 -2.558 -5.694 1.00 0.00 C ATOM 316 C PHE B 1 9.452 -1.489 -5.962 1.00 0.00 C ATOM 317 O PHE B 1 10.601 -1.797 -6.207 1.00 0.00 O ATOM 318 CB PHE B 1 8.319 -2.952 -4.204 1.00 0.00 C ATOM 319 CG PHE B 1 9.583 -2.537 -3.479 1.00 0.00 C ATOM 320 CD1 PHE B 1 9.731 -1.216 -3.035 1.00 0.00 C ATOM 321 CD2 PHE B 1 10.604 -3.470 -3.251 1.00 0.00 C ATOM 322 CE1 PHE B 1 10.896 -0.828 -2.365 1.00 0.00 C ATOM 323 CE2 PHE B 1 11.771 -3.082 -2.580 1.00 0.00 C ATOM 324 CZ PHE B 1 11.917 -1.761 -2.136 1.00 0.00 C ATOM 325 H1 PHE B 1 9.692 -4.114 -6.147 1.00 0.00 H ATOM 326 H2 PHE B 1 8.055 -4.568 -6.136 1.00 0.00 H ATOM 327 H3 PHE B 1 8.680 -3.665 -7.433 1.00 0.00 H ATOM 328 HA PHE B 1 7.415 -2.205 -6.017 1.00 0.00 H ATOM 329 HB2 PHE B 1 7.471 -2.465 -3.744 1.00 0.00 H ATOM 330 HB3 PHE B 1 8.199 -4.022 -4.125 1.00 0.00 H ATOM 331 HD1 PHE B 1 8.944 -0.497 -3.211 1.00 0.00 H ATOM 332 HD2 PHE B 1 10.490 -4.488 -3.593 1.00 0.00 H ATOM 333 HE1 PHE B 1 11.010 0.191 -2.023 1.00 0.00 H ATOM 334 HE2 PHE B 1 12.558 -3.801 -2.403 1.00 0.00 H ATOM 335 HZ PHE B 1 12.816 -1.461 -1.618 1.00 0.00 H ATOM 336 N VAL B 2 9.082 -0.238 -5.915 1.00 0.00 N ATOM 337 CA VAL B 2 10.080 0.844 -6.166 1.00 0.00 C ATOM 338 C VAL B 2 9.676 2.124 -5.428 1.00 0.00 C ATOM 339 O VAL B 2 8.521 2.502 -5.408 1.00 0.00 O ATOM 340 CB VAL B 2 10.050 1.069 -7.678 1.00 0.00 C ATOM 341 CG1 VAL B 2 10.666 -0.139 -8.385 1.00 0.00 C ATOM 342 CG2 VAL B 2 8.601 1.244 -8.138 1.00 0.00 C ATOM 343 H VAL B 2 8.150 -0.008 -5.714 1.00 0.00 H ATOM 344 HA VAL B 2 11.064 0.528 -5.860 1.00 0.00 H ATOM 345 HB VAL B 2 10.618 1.956 -7.920 1.00 0.00 H ATOM 346 HG11 VAL B 2 11.511 -0.496 -7.815 1.00 0.00 H ATOM 347 HG12 VAL B 2 9.929 -0.923 -8.466 1.00 0.00 H ATOM 348 HG13 VAL B 2 10.994 0.152 -9.372 1.00 0.00 H ATOM 349 HG21 VAL B 2 8.162 2.089 -7.629 1.00 0.00 H ATOM 350 HG22 VAL B 2 8.580 1.416 -9.204 1.00 0.00 H ATOM 351 HG23 VAL B 2 8.038 0.352 -7.906 1.00 0.00 H ATOM 352 N ASN B 3 10.620 2.796 -4.825 1.00 0.00 N ATOM 353 CA ASN B 3 10.287 4.052 -4.094 1.00 0.00 C ATOM 354 C ASN B 3 9.857 5.137 -5.083 1.00 0.00 C ATOM 355 O ASN B 3 10.618 6.019 -5.427 1.00 0.00 O ATOM 356 CB ASN B 3 11.579 4.453 -3.380 1.00 0.00 C ATOM 357 CG ASN B 3 11.280 4.738 -1.907 1.00 0.00 C ATOM 358 OD1 ASN B 3 10.168 5.077 -1.555 1.00 0.00 O ATOM 359 ND2 ASN B 3 12.233 4.611 -1.024 1.00 0.00 N ATOM 360 H ASN B 3 11.546 2.476 -4.855 1.00 0.00 H ATOM 361 HA ASN B 3 9.507 3.871 -3.371 1.00 0.00 H ATOM 362 HB2 ASN B 3 12.295 3.647 -3.454 1.00 0.00 H ATOM 363 HB3 ASN B 3 11.983 5.340 -3.840 1.00 0.00 H ATOM 364 HD21 ASN B 3 13.130 4.335 -1.308 1.00 0.00 H ATOM 365 HD22 ASN B 3 12.052 4.791 -0.078 1.00 0.00 H ATOM 366 N GLN B 4 8.641 5.071 -5.546 1.00 0.00 N ATOM 367 CA GLN B 4 8.145 6.084 -6.517 1.00 0.00 C ATOM 368 C GLN B 4 6.623 6.210 -6.377 1.00 0.00 C ATOM 369 O GLN B 4 6.040 5.707 -5.430 1.00 0.00 O ATOM 370 CB GLN B 4 8.537 5.522 -7.888 1.00 0.00 C ATOM 371 CG GLN B 4 8.455 6.623 -8.947 1.00 0.00 C ATOM 372 CD GLN B 4 9.568 6.424 -9.977 1.00 0.00 C ATOM 373 OE1 GLN B 4 9.430 5.641 -10.895 1.00 0.00 O ATOM 374 NE2 GLN B 4 10.675 7.106 -9.863 1.00 0.00 N ATOM 375 H GLN B 4 8.047 4.348 -5.257 1.00 0.00 H ATOM 376 HA GLN B 4 8.624 7.036 -6.352 1.00 0.00 H ATOM 377 HB2 GLN B 4 9.550 5.146 -7.840 1.00 0.00 H ATOM 378 HB3 GLN B 4 7.869 4.714 -8.153 1.00 0.00 H ATOM 379 HG2 GLN B 4 7.495 6.576 -9.442 1.00 0.00 H ATOM 380 HG3 GLN B 4 8.570 7.587 -8.476 1.00 0.00 H ATOM 381 HE21 GLN B 4 10.787 7.739 -9.124 1.00 0.00 H ATOM 382 HE22 GLN B 4 11.395 6.984 -10.516 1.00 0.00 H ATOM 383 N HIS B 5 5.965 6.863 -7.299 1.00 0.00 N ATOM 384 CA HIS B 5 4.486 6.984 -7.183 1.00 0.00 C ATOM 385 C HIS B 5 3.821 5.836 -7.957 1.00 0.00 C ATOM 386 O HIS B 5 4.207 5.524 -9.066 1.00 0.00 O ATOM 387 CB HIS B 5 4.093 8.347 -7.784 1.00 0.00 C ATOM 388 CG HIS B 5 5.182 9.365 -7.551 1.00 0.00 C ATOM 389 ND1 HIS B 5 5.058 10.372 -6.607 1.00 0.00 N ATOM 390 CD2 HIS B 5 6.409 9.556 -8.139 1.00 0.00 C ATOM 391 CE1 HIS B 5 6.177 11.117 -6.655 1.00 0.00 C ATOM 392 NE2 HIS B 5 7.035 10.662 -7.572 1.00 0.00 N ATOM 393 H HIS B 5 6.435 7.261 -8.055 1.00 0.00 H ATOM 394 HA HIS B 5 4.202 6.945 -6.144 1.00 0.00 H ATOM 395 HB2 HIS B 5 3.916 8.238 -8.840 1.00 0.00 H ATOM 396 HB3 HIS B 5 3.185 8.693 -7.314 1.00 0.00 H ATOM 397 HD1 HIS B 5 4.294 10.516 -6.010 1.00 0.00 H ATOM 398 HD2 HIS B 5 6.826 8.939 -8.921 1.00 0.00 H ATOM 399 HE1 HIS B 5 6.356 11.983 -6.035 1.00 0.00 H ATOM 400 N LEU B 6 2.860 5.169 -7.367 1.00 0.00 N ATOM 401 CA LEU B 6 2.231 4.008 -8.068 1.00 0.00 C ATOM 402 C LEU B 6 0.775 4.224 -8.498 1.00 0.00 C ATOM 403 O LEU B 6 0.036 3.270 -8.586 1.00 0.00 O ATOM 404 CB LEU B 6 2.279 2.873 -7.046 1.00 0.00 C ATOM 405 CG LEU B 6 3.722 2.563 -6.670 1.00 0.00 C ATOM 406 CD1 LEU B 6 3.749 1.761 -5.367 1.00 0.00 C ATOM 407 CD2 LEU B 6 4.351 1.738 -7.780 1.00 0.00 C ATOM 408 H LEU B 6 2.592 5.400 -6.460 1.00 0.00 H ATOM 409 HA LEU B 6 2.817 3.756 -8.919 1.00 0.00 H ATOM 410 HB2 LEU B 6 1.735 3.165 -6.164 1.00 0.00 H ATOM 411 HB3 LEU B 6 1.822 1.994 -7.466 1.00 0.00 H ATOM 412 HG LEU B 6 4.271 3.484 -6.542 1.00 0.00 H ATOM 413 HD11 LEU B 6 2.979 2.123 -4.704 1.00 0.00 H ATOM 414 HD12 LEU B 6 3.575 0.717 -5.585 1.00 0.00 H ATOM 415 HD13 LEU B 6 4.714 1.873 -4.895 1.00 0.00 H ATOM 416 HD21 LEU B 6 3.731 1.799 -8.663 1.00 0.00 H ATOM 417 HD22 LEU B 6 5.334 2.122 -7.999 1.00 0.00 H ATOM 418 HD23 LEU B 6 4.424 0.709 -7.461 1.00 0.00 H ATOM 419 N CYS B 7 0.365 5.426 -8.790 1.00 0.00 N ATOM 420 CA CYS B 7 -1.055 5.673 -9.233 1.00 0.00 C ATOM 421 C CYS B 7 -1.828 4.370 -9.494 1.00 0.00 C ATOM 422 O CYS B 7 -1.463 3.575 -10.333 1.00 0.00 O ATOM 423 CB CYS B 7 -0.933 6.502 -10.504 1.00 0.00 C ATOM 424 SG CYS B 7 -0.325 8.133 -10.057 1.00 0.00 S ATOM 425 H CYS B 7 0.989 6.175 -8.731 1.00 0.00 H ATOM 426 HA CYS B 7 -1.571 6.245 -8.491 1.00 0.00 H ATOM 427 HB2 CYS B 7 -0.246 6.034 -11.185 1.00 0.00 H ATOM 428 HB3 CYS B 7 -1.904 6.601 -10.966 1.00 0.00 H ATOM 429 N GLY B 8 -2.876 4.166 -8.734 1.00 0.00 N ATOM 430 CA GLY B 8 -3.735 2.936 -8.827 1.00 0.00 C ATOM 431 C GLY B 8 -3.217 1.890 -9.836 1.00 0.00 C ATOM 432 O GLY B 8 -2.808 0.816 -9.441 1.00 0.00 O ATOM 433 H GLY B 8 -3.101 4.840 -8.059 1.00 0.00 H ATOM 434 HA2 GLY B 8 -3.760 2.474 -7.854 1.00 0.00 H ATOM 435 HA3 GLY B 8 -4.740 3.224 -9.088 1.00 0.00 H ATOM 436 N SER B 9 -3.237 2.153 -11.124 1.00 0.00 N ATOM 437 CA SER B 9 -2.756 1.117 -12.081 1.00 0.00 C ATOM 438 C SER B 9 -1.356 0.648 -11.698 1.00 0.00 C ATOM 439 O SER B 9 -1.023 -0.525 -11.787 1.00 0.00 O ATOM 440 CB SER B 9 -2.742 1.810 -13.443 1.00 0.00 C ATOM 441 OG SER B 9 -1.508 1.542 -14.098 1.00 0.00 O ATOM 442 H SER B 9 -3.572 3.008 -11.466 1.00 0.00 H ATOM 443 HA SER B 9 -3.434 0.287 -12.097 1.00 0.00 H ATOM 444 HB2 SER B 9 -3.551 1.438 -14.048 1.00 0.00 H ATOM 445 HB3 SER B 9 -2.862 2.877 -13.304 1.00 0.00 H ATOM 446 HG SER B 9 -1.194 2.361 -14.486 1.00 0.00 H ATOM 447 N HIS B 10 -0.542 1.544 -11.233 1.00 0.00 N ATOM 448 CA HIS B 10 0.821 1.137 -10.827 1.00 0.00 C ATOM 449 C HIS B 10 0.702 0.432 -9.492 1.00 0.00 C ATOM 450 O HIS B 10 1.366 -0.548 -9.221 1.00 0.00 O ATOM 451 CB HIS B 10 1.616 2.432 -10.710 1.00 0.00 C ATOM 452 CG HIS B 10 2.426 2.632 -11.959 1.00 0.00 C ATOM 453 ND1 HIS B 10 1.853 2.610 -13.220 1.00 0.00 N ATOM 454 CD2 HIS B 10 3.765 2.858 -12.160 1.00 0.00 C ATOM 455 CE1 HIS B 10 2.834 2.818 -14.116 1.00 0.00 C ATOM 456 NE2 HIS B 10 4.021 2.975 -13.524 1.00 0.00 N ATOM 457 H HIS B 10 -0.843 2.474 -11.116 1.00 0.00 H ATOM 458 HA HIS B 10 1.263 0.492 -11.569 1.00 0.00 H ATOM 459 HB2 HIS B 10 0.936 3.262 -10.586 1.00 0.00 H ATOM 460 HB3 HIS B 10 2.274 2.369 -9.861 1.00 0.00 H ATOM 461 HD1 HIS B 10 0.905 2.467 -13.422 1.00 0.00 H ATOM 462 HD2 HIS B 10 4.509 2.928 -11.380 1.00 0.00 H ATOM 463 HE1 HIS B 10 2.681 2.851 -15.185 1.00 0.00 H ATOM 464 N LEU B 11 -0.173 0.924 -8.667 1.00 0.00 N ATOM 465 CA LEU B 11 -0.384 0.287 -7.348 1.00 0.00 C ATOM 466 C LEU B 11 -0.912 -1.123 -7.532 1.00 0.00 C ATOM 467 O LEU B 11 -0.363 -2.069 -7.010 1.00 0.00 O ATOM 468 CB LEU B 11 -1.457 1.115 -6.654 1.00 0.00 C ATOM 469 CG LEU B 11 -0.795 2.258 -5.901 1.00 0.00 C ATOM 470 CD1 LEU B 11 -1.866 3.177 -5.313 1.00 0.00 C ATOM 471 CD2 LEU B 11 0.049 1.659 -4.782 1.00 0.00 C ATOM 472 H LEU B 11 -0.698 1.713 -8.925 1.00 0.00 H ATOM 473 HA LEU B 11 0.526 0.289 -6.769 1.00 0.00 H ATOM 474 HB2 LEU B 11 -2.149 1.495 -7.388 1.00 0.00 H ATOM 475 HB3 LEU B 11 -1.988 0.492 -5.950 1.00 0.00 H ATOM 476 HG LEU B 11 -0.166 2.819 -6.571 1.00 0.00 H ATOM 477 HD11 LEU B 11 -2.834 2.712 -5.419 1.00 0.00 H ATOM 478 HD12 LEU B 11 -1.660 3.346 -4.266 1.00 0.00 H ATOM 479 HD13 LEU B 11 -1.859 4.121 -5.838 1.00 0.00 H ATOM 480 HD21 LEU B 11 0.144 0.592 -4.941 1.00 0.00 H ATOM 481 HD22 LEU B 11 1.027 2.111 -4.786 1.00 0.00 H ATOM 482 HD23 LEU B 11 -0.432 1.836 -3.832 1.00 0.00 H ATOM 483 N VAL B 12 -1.990 -1.280 -8.257 1.00 0.00 N ATOM 484 CA VAL B 12 -2.537 -2.633 -8.418 1.00 0.00 C ATOM 485 C VAL B 12 -1.423 -3.584 -8.843 1.00 0.00 C ATOM 486 O VAL B 12 -1.464 -4.760 -8.554 1.00 0.00 O ATOM 487 CB VAL B 12 -3.636 -2.496 -9.475 1.00 0.00 C ATOM 488 CG1 VAL B 12 -3.653 -3.705 -10.411 1.00 0.00 C ATOM 489 CG2 VAL B 12 -4.990 -2.384 -8.777 1.00 0.00 C ATOM 490 H VAL B 12 -2.443 -0.512 -8.679 1.00 0.00 H ATOM 491 HA VAL B 12 -2.961 -2.943 -7.484 1.00 0.00 H ATOM 492 HB VAL B 12 -3.460 -1.609 -10.047 1.00 0.00 H ATOM 493 HG11 VAL B 12 -3.634 -4.613 -9.826 1.00 0.00 H ATOM 494 HG12 VAL B 12 -4.549 -3.681 -11.011 1.00 0.00 H ATOM 495 HG13 VAL B 12 -2.786 -3.672 -11.054 1.00 0.00 H ATOM 496 HG21 VAL B 12 -4.967 -1.559 -8.082 1.00 0.00 H ATOM 497 HG22 VAL B 12 -5.761 -2.213 -9.513 1.00 0.00 H ATOM 498 HG23 VAL B 12 -5.197 -3.300 -8.245 1.00 0.00 H ATOM 499 N GLU B 13 -0.421 -3.089 -9.518 1.00 0.00 N ATOM 500 CA GLU B 13 0.684 -3.995 -9.935 1.00 0.00 C ATOM 501 C GLU B 13 1.790 -4.029 -8.873 1.00 0.00 C ATOM 502 O GLU B 13 2.554 -4.977 -8.786 1.00 0.00 O ATOM 503 CB GLU B 13 1.214 -3.405 -11.241 1.00 0.00 C ATOM 504 CG GLU B 13 0.208 -3.659 -12.365 1.00 0.00 C ATOM 505 CD GLU B 13 0.569 -2.794 -13.574 1.00 0.00 C ATOM 506 OE1 GLU B 13 1.467 -3.180 -14.305 1.00 0.00 O ATOM 507 OE2 GLU B 13 -0.056 -1.763 -13.749 1.00 0.00 O ATOM 508 H GLU B 13 -0.397 -2.133 -9.743 1.00 0.00 H ATOM 509 HA GLU B 13 0.304 -4.980 -10.106 1.00 0.00 H ATOM 510 HB2 GLU B 13 1.360 -2.348 -11.120 1.00 0.00 H ATOM 511 HB3 GLU B 13 2.154 -3.870 -11.493 1.00 0.00 H ATOM 512 HG2 GLU B 13 0.233 -4.702 -12.644 1.00 0.00 H ATOM 513 HG3 GLU B 13 -0.784 -3.401 -12.025 1.00 0.00 H ATOM 514 N ALA B 14 1.869 -3.026 -8.043 1.00 0.00 N ATOM 515 CA ALA B 14 2.919 -3.027 -6.993 1.00 0.00 C ATOM 516 C ALA B 14 2.314 -3.530 -5.702 1.00 0.00 C ATOM 517 O ALA B 14 3.002 -3.892 -4.774 1.00 0.00 O ATOM 518 CB ALA B 14 3.361 -1.569 -6.855 1.00 0.00 C ATOM 519 H ALA B 14 1.222 -2.288 -8.090 1.00 0.00 H ATOM 520 HA ALA B 14 3.752 -3.645 -7.289 1.00 0.00 H ATOM 521 HB1 ALA B 14 2.602 -0.921 -7.266 1.00 0.00 H ATOM 522 HB2 ALA B 14 3.505 -1.335 -5.809 1.00 0.00 H ATOM 523 HB3 ALA B 14 4.288 -1.422 -7.387 1.00 0.00 H ATOM 524 N LEU B 15 1.020 -3.566 -5.645 1.00 0.00 N ATOM 525 CA LEU B 15 0.355 -4.059 -4.433 1.00 0.00 C ATOM 526 C LEU B 15 0.084 -5.551 -4.619 1.00 0.00 C ATOM 527 O LEU B 15 -0.007 -6.304 -3.670 1.00 0.00 O ATOM 528 CB LEU B 15 -0.901 -3.209 -4.377 1.00 0.00 C ATOM 529 CG LEU B 15 -2.063 -3.959 -3.729 1.00 0.00 C ATOM 530 CD1 LEU B 15 -1.586 -4.693 -2.473 1.00 0.00 C ATOM 531 CD2 LEU B 15 -3.150 -2.955 -3.345 1.00 0.00 C ATOM 532 H LEU B 15 0.475 -3.274 -6.416 1.00 0.00 H ATOM 533 HA LEU B 15 0.971 -3.886 -3.564 1.00 0.00 H ATOM 534 HB2 LEU B 15 -0.690 -2.309 -3.837 1.00 0.00 H ATOM 535 HB3 LEU B 15 -1.165 -2.944 -5.365 1.00 0.00 H ATOM 536 HG LEU B 15 -2.467 -4.669 -4.439 1.00 0.00 H ATOM 537 HD11 LEU B 15 -0.529 -4.519 -2.332 1.00 0.00 H ATOM 538 HD12 LEU B 15 -2.127 -4.324 -1.614 1.00 0.00 H ATOM 539 HD13 LEU B 15 -1.765 -5.752 -2.583 1.00 0.00 H ATOM 540 HD21 LEU B 15 -2.729 -1.960 -3.325 1.00 0.00 H ATOM 541 HD22 LEU B 15 -3.949 -2.993 -4.071 1.00 0.00 H ATOM 542 HD23 LEU B 15 -3.540 -3.201 -2.368 1.00 0.00 H ATOM 543 N TYR B 16 0.025 -5.998 -5.850 1.00 0.00 N ATOM 544 CA TYR B 16 -0.163 -7.453 -6.098 1.00 0.00 C ATOM 545 C TYR B 16 1.176 -8.132 -5.928 1.00 0.00 C ATOM 546 O TYR B 16 1.278 -9.269 -5.516 1.00 0.00 O ATOM 547 CB TYR B 16 -0.598 -7.580 -7.575 1.00 0.00 C ATOM 548 CG TYR B 16 0.496 -8.260 -8.422 1.00 0.00 C ATOM 549 CD1 TYR B 16 0.757 -9.636 -8.265 1.00 0.00 C ATOM 550 CD2 TYR B 16 1.238 -7.526 -9.369 1.00 0.00 C ATOM 551 CE1 TYR B 16 1.735 -10.265 -9.047 1.00 0.00 C ATOM 552 CE2 TYR B 16 2.219 -8.162 -10.143 1.00 0.00 C ATOM 553 CZ TYR B 16 2.462 -9.529 -9.986 1.00 0.00 C ATOM 554 OH TYR B 16 3.425 -10.149 -10.757 1.00 0.00 O ATOM 555 H TYR B 16 0.151 -5.383 -6.609 1.00 0.00 H ATOM 556 HA TYR B 16 -0.907 -7.875 -5.441 1.00 0.00 H ATOM 557 HB2 TYR B 16 -1.502 -8.166 -7.629 1.00 0.00 H ATOM 558 HB3 TYR B 16 -0.793 -6.601 -7.966 1.00 0.00 H ATOM 559 HD1 TYR B 16 0.215 -10.212 -7.539 1.00 0.00 H ATOM 560 HD2 TYR B 16 1.077 -6.473 -9.490 1.00 0.00 H ATOM 561 HE1 TYR B 16 1.931 -11.319 -8.920 1.00 0.00 H ATOM 562 HE2 TYR B 16 2.781 -7.596 -10.871 1.00 0.00 H ATOM 563 HH TYR B 16 3.411 -11.087 -10.553 1.00 0.00 H ATOM 564 N LEU B 17 2.201 -7.448 -6.336 1.00 0.00 N ATOM 565 CA LEU B 17 3.530 -8.063 -6.303 1.00 0.00 C ATOM 566 C LEU B 17 4.071 -7.970 -4.903 1.00 0.00 C ATOM 567 O LEU B 17 4.798 -8.826 -4.439 1.00 0.00 O ATOM 568 CB LEU B 17 4.361 -7.176 -7.189 1.00 0.00 C ATOM 569 CG LEU B 17 4.955 -8.027 -8.294 1.00 0.00 C ATOM 570 CD1 LEU B 17 5.765 -7.152 -9.236 1.00 0.00 C ATOM 571 CD2 LEU B 17 5.823 -9.117 -7.684 1.00 0.00 C ATOM 572 H LEU B 17 2.080 -6.553 -6.723 1.00 0.00 H ATOM 573 HA LEU B 17 3.514 -9.075 -6.672 1.00 0.00 H ATOM 574 HB2 LEU B 17 3.763 -6.382 -7.563 1.00 0.00 H ATOM 575 HB3 LEU B 17 5.172 -6.757 -6.609 1.00 0.00 H ATOM 576 HG LEU B 17 4.153 -8.484 -8.850 1.00 0.00 H ATOM 577 HD11 LEU B 17 5.370 -6.146 -9.212 1.00 0.00 H ATOM 578 HD12 LEU B 17 6.796 -7.145 -8.924 1.00 0.00 H ATOM 579 HD13 LEU B 17 5.691 -7.544 -10.239 1.00 0.00 H ATOM 580 HD21 LEU B 17 6.185 -8.786 -6.723 1.00 0.00 H ATOM 581 HD22 LEU B 17 5.229 -10.012 -7.557 1.00 0.00 H ATOM 582 HD23 LEU B 17 6.653 -9.324 -8.337 1.00 0.00 H ATOM 583 N VAL B 18 3.745 -6.907 -4.226 1.00 0.00 N ATOM 584 CA VAL B 18 4.281 -6.759 -2.875 1.00 0.00 C ATOM 585 C VAL B 18 3.464 -7.617 -1.904 1.00 0.00 C ATOM 586 O VAL B 18 3.948 -8.062 -0.882 1.00 0.00 O ATOM 587 CB VAL B 18 4.183 -5.263 -2.538 1.00 0.00 C ATOM 588 CG1 VAL B 18 2.805 -4.933 -1.958 1.00 0.00 C ATOM 589 CG2 VAL B 18 5.260 -4.907 -1.511 1.00 0.00 C ATOM 590 H VAL B 18 3.172 -6.213 -4.617 1.00 0.00 H ATOM 591 HA VAL B 18 5.305 -7.062 -2.904 1.00 0.00 H ATOM 592 HB VAL B 18 4.338 -4.685 -3.435 1.00 0.00 H ATOM 593 HG11 VAL B 18 2.624 -5.547 -1.088 1.00 0.00 H ATOM 594 HG12 VAL B 18 2.776 -3.891 -1.674 1.00 0.00 H ATOM 595 HG13 VAL B 18 2.046 -5.126 -2.699 1.00 0.00 H ATOM 596 HG21 VAL B 18 5.167 -5.556 -0.653 1.00 0.00 H ATOM 597 HG22 VAL B 18 6.238 -5.035 -1.954 1.00 0.00 H ATOM 598 HG23 VAL B 18 5.138 -3.880 -1.202 1.00 0.00 H ATOM 599 N CYS B 19 2.220 -7.845 -2.230 1.00 0.00 N ATOM 600 CA CYS B 19 1.339 -8.668 -1.351 1.00 0.00 C ATOM 601 C CYS B 19 0.298 -9.407 -2.211 1.00 0.00 C ATOM 602 O CYS B 19 -0.892 -9.253 -2.014 1.00 0.00 O ATOM 603 CB CYS B 19 0.653 -7.647 -0.444 1.00 0.00 C ATOM 604 SG CYS B 19 1.564 -7.522 1.111 1.00 0.00 S ATOM 605 H CYS B 19 1.858 -7.468 -3.062 1.00 0.00 H ATOM 606 HA CYS B 19 1.920 -9.357 -0.750 1.00 0.00 H ATOM 607 HB2 CYS B 19 0.641 -6.684 -0.931 1.00 0.00 H ATOM 608 HB3 CYS B 19 -0.360 -7.959 -0.241 1.00 0.00 H ATOM 609 N GLY B 20 0.725 -10.194 -3.175 1.00 0.00 N ATOM 610 CA GLY B 20 -0.252 -10.907 -4.037 1.00 0.00 C ATOM 611 C GLY B 20 -0.505 -12.308 -3.486 1.00 0.00 C ATOM 612 O GLY B 20 -0.253 -12.585 -2.330 1.00 0.00 O ATOM 613 H GLY B 20 1.683 -10.309 -3.341 1.00 0.00 H ATOM 614 HA2 GLY B 20 -1.181 -10.355 -4.058 1.00 0.00 H ATOM 615 HA3 GLY B 20 0.144 -10.979 -5.037 1.00 0.00 H ATOM 616 N GLU B 21 -1.012 -13.194 -4.303 1.00 0.00 N ATOM 617 CA GLU B 21 -1.296 -14.576 -3.822 1.00 0.00 C ATOM 618 C GLU B 21 -1.935 -14.512 -2.434 1.00 0.00 C ATOM 619 O GLU B 21 -1.819 -15.420 -1.636 1.00 0.00 O ATOM 620 CB GLU B 21 0.068 -15.267 -3.760 1.00 0.00 C ATOM 621 CG GLU B 21 0.392 -15.886 -5.122 1.00 0.00 C ATOM 622 CD GLU B 21 1.778 -16.532 -5.075 1.00 0.00 C ATOM 623 OE1 GLU B 21 2.631 -16.008 -4.379 1.00 0.00 O ATOM 624 OE2 GLU B 21 1.961 -17.542 -5.736 1.00 0.00 O ATOM 625 H GLU B 21 -1.212 -12.944 -5.229 1.00 0.00 H ATOM 626 HA GLU B 21 -1.944 -15.092 -4.514 1.00 0.00 H ATOM 627 HB2 GLU B 21 0.826 -14.541 -3.504 1.00 0.00 H ATOM 628 HB3 GLU B 21 0.045 -16.043 -3.012 1.00 0.00 H ATOM 629 HG2 GLU B 21 -0.348 -16.635 -5.361 1.00 0.00 H ATOM 630 HG3 GLU B 21 0.381 -15.116 -5.879 1.00 0.00 H ATOM 631 N ARG B 22 -2.598 -13.427 -2.144 1.00 0.00 N ATOM 632 CA ARG B 22 -3.241 -13.268 -0.806 1.00 0.00 C ATOM 633 C ARG B 22 -4.359 -12.206 -0.855 1.00 0.00 C ATOM 634 O ARG B 22 -5.058 -11.993 0.117 1.00 0.00 O ATOM 635 CB ARG B 22 -2.084 -12.827 0.109 1.00 0.00 C ATOM 636 CG ARG B 22 -2.564 -11.815 1.153 1.00 0.00 C ATOM 637 CD ARG B 22 -1.406 -11.474 2.091 1.00 0.00 C ATOM 638 NE ARG B 22 -0.460 -10.677 1.261 1.00 0.00 N ATOM 639 CZ ARG B 22 0.808 -10.986 1.238 1.00 0.00 C ATOM 640 NH1 ARG B 22 1.243 -11.894 0.407 1.00 0.00 N ATOM 641 NH2 ARG B 22 1.642 -10.390 2.047 1.00 0.00 N ATOM 642 H ARG B 22 -2.660 -12.713 -2.804 1.00 0.00 H ATOM 643 HA ARG B 22 -3.635 -14.211 -0.467 1.00 0.00 H ATOM 644 HB2 ARG B 22 -1.684 -13.691 0.616 1.00 0.00 H ATOM 645 HB3 ARG B 22 -1.308 -12.377 -0.492 1.00 0.00 H ATOM 646 HG2 ARG B 22 -2.905 -10.918 0.655 1.00 0.00 H ATOM 647 HG3 ARG B 22 -3.374 -12.243 1.724 1.00 0.00 H ATOM 648 HD2 ARG B 22 -1.760 -10.892 2.929 1.00 0.00 H ATOM 649 HD3 ARG B 22 -0.925 -12.376 2.432 1.00 0.00 H ATOM 650 HE ARG B 22 -0.789 -9.920 0.733 1.00 0.00 H ATOM 651 HH11 ARG B 22 0.605 -12.352 -0.211 1.00 0.00 H ATOM 652 HH12 ARG B 22 2.215 -12.132 0.389 1.00 0.00 H ATOM 653 HH21 ARG B 22 1.308 -9.696 2.685 1.00 0.00 H ATOM 654 HH22 ARG B 22 2.613 -10.626 2.026 1.00 0.00 H ATOM 655 N GLY B 23 -4.532 -11.536 -1.963 1.00 0.00 N ATOM 656 CA GLY B 23 -5.595 -10.497 -2.048 1.00 0.00 C ATOM 657 C GLY B 23 -5.245 -9.337 -1.122 1.00 0.00 C ATOM 658 O GLY B 23 -4.387 -9.445 -0.269 1.00 0.00 O ATOM 659 H GLY B 23 -3.964 -11.708 -2.736 1.00 0.00 H ATOM 660 HA2 GLY B 23 -5.668 -10.139 -3.065 1.00 0.00 H ATOM 661 HA3 GLY B 23 -6.540 -10.918 -1.746 1.00 0.00 H ATOM 662 N PHE B 24 -5.909 -8.228 -1.278 1.00 0.00 N ATOM 663 CA PHE B 24 -5.623 -7.061 -0.403 1.00 0.00 C ATOM 664 C PHE B 24 -6.901 -6.261 -0.168 1.00 0.00 C ATOM 665 O PHE B 24 -7.960 -6.593 -0.664 1.00 0.00 O ATOM 666 CB PHE B 24 -4.591 -6.208 -1.151 1.00 0.00 C ATOM 667 CG PHE B 24 -4.865 -6.220 -2.641 1.00 0.00 C ATOM 668 CD1 PHE B 24 -6.016 -5.604 -3.153 1.00 0.00 C ATOM 669 CD2 PHE B 24 -3.956 -6.838 -3.512 1.00 0.00 C ATOM 670 CE1 PHE B 24 -6.259 -5.609 -4.534 1.00 0.00 C ATOM 671 CE2 PHE B 24 -4.199 -6.840 -4.893 1.00 0.00 C ATOM 672 CZ PHE B 24 -5.349 -6.226 -5.403 1.00 0.00 C ATOM 673 H PHE B 24 -6.600 -8.164 -1.965 1.00 0.00 H ATOM 674 HA PHE B 24 -5.211 -7.391 0.536 1.00 0.00 H ATOM 675 HB2 PHE B 24 -4.643 -5.192 -0.790 1.00 0.00 H ATOM 676 HB3 PHE B 24 -3.604 -6.601 -0.965 1.00 0.00 H ATOM 677 HD1 PHE B 24 -6.717 -5.129 -2.484 1.00 0.00 H ATOM 678 HD2 PHE B 24 -3.069 -7.312 -3.121 1.00 0.00 H ATOM 679 HE1 PHE B 24 -7.146 -5.136 -4.931 1.00 0.00 H ATOM 680 HE2 PHE B 24 -3.498 -7.315 -5.566 1.00 0.00 H ATOM 681 HZ PHE B 24 -5.536 -6.228 -6.468 1.00 0.00 H ATOM 682 N PHE B 25 -6.805 -5.206 0.582 1.00 0.00 N ATOM 683 CA PHE B 25 -8.009 -4.371 0.852 1.00 0.00 C ATOM 684 C PHE B 25 -8.022 -3.159 -0.081 1.00 0.00 C ATOM 685 O PHE B 25 -8.894 -2.316 -0.008 1.00 0.00 O ATOM 686 CB PHE B 25 -7.875 -3.926 2.309 1.00 0.00 C ATOM 687 CG PHE B 25 -8.913 -2.870 2.606 1.00 0.00 C ATOM 688 CD1 PHE B 25 -10.238 -3.056 2.191 1.00 0.00 C ATOM 689 CD2 PHE B 25 -8.550 -1.706 3.295 1.00 0.00 C ATOM 690 CE1 PHE B 25 -11.202 -2.075 2.466 1.00 0.00 C ATOM 691 CE2 PHE B 25 -9.514 -0.725 3.570 1.00 0.00 C ATOM 692 CZ PHE B 25 -10.840 -0.910 3.155 1.00 0.00 C ATOM 693 H PHE B 25 -5.939 -4.960 0.963 1.00 0.00 H ATOM 694 HA PHE B 25 -8.907 -4.953 0.725 1.00 0.00 H ATOM 695 HB2 PHE B 25 -8.028 -4.775 2.960 1.00 0.00 H ATOM 696 HB3 PHE B 25 -6.889 -3.519 2.473 1.00 0.00 H ATOM 697 HD1 PHE B 25 -10.518 -3.953 1.659 1.00 0.00 H ATOM 698 HD2 PHE B 25 -7.530 -1.563 3.616 1.00 0.00 H ATOM 699 HE1 PHE B 25 -12.224 -2.218 2.146 1.00 0.00 H ATOM 700 HE2 PHE B 25 -9.235 0.173 4.101 1.00 0.00 H ATOM 701 HZ PHE B 25 -11.582 -0.155 3.366 1.00 0.00 H ATOM 702 N TYR B 26 -7.060 -3.064 -0.958 1.00 0.00 N ATOM 703 CA TYR B 26 -7.019 -1.907 -1.895 1.00 0.00 C ATOM 704 C TYR B 26 -8.253 -1.923 -2.807 1.00 0.00 C ATOM 705 O TYR B 26 -8.300 -2.633 -3.790 1.00 0.00 O ATOM 706 CB TYR B 26 -5.743 -2.105 -2.713 1.00 0.00 C ATOM 707 CG TYR B 26 -5.832 -1.268 -3.960 1.00 0.00 C ATOM 708 CD1 TYR B 26 -5.487 0.086 -3.917 1.00 0.00 C ATOM 709 CD2 TYR B 26 -6.288 -1.840 -5.154 1.00 0.00 C ATOM 710 CE1 TYR B 26 -5.594 0.871 -5.068 1.00 0.00 C ATOM 711 CE2 TYR B 26 -6.395 -1.058 -6.307 1.00 0.00 C ATOM 712 CZ TYR B 26 -6.048 0.301 -6.267 1.00 0.00 C ATOM 713 OH TYR B 26 -6.153 1.075 -7.404 1.00 0.00 O ATOM 714 H TYR B 26 -6.366 -3.754 -1.002 1.00 0.00 H ATOM 715 HA TYR B 26 -6.966 -0.980 -1.346 1.00 0.00 H ATOM 716 HB2 TYR B 26 -4.887 -1.797 -2.130 1.00 0.00 H ATOM 717 HB3 TYR B 26 -5.642 -3.145 -2.984 1.00 0.00 H ATOM 718 HD1 TYR B 26 -5.135 0.523 -2.994 1.00 0.00 H ATOM 719 HD2 TYR B 26 -6.553 -2.887 -5.184 1.00 0.00 H ATOM 720 HE1 TYR B 26 -5.330 1.915 -5.030 1.00 0.00 H ATOM 721 HE2 TYR B 26 -6.749 -1.501 -7.225 1.00 0.00 H ATOM 722 HH TYR B 26 -6.837 0.695 -7.961 1.00 0.00 H ATOM 723 N THR B 27 -9.253 -1.155 -2.481 1.00 0.00 N ATOM 724 CA THR B 27 -10.485 -1.136 -3.325 1.00 0.00 C ATOM 725 C THR B 27 -11.315 0.123 -3.024 1.00 0.00 C ATOM 726 O THR B 27 -12.511 0.042 -2.831 1.00 0.00 O ATOM 727 CB THR B 27 -11.249 -2.414 -2.941 1.00 0.00 C ATOM 728 OG1 THR B 27 -12.645 -2.218 -3.127 1.00 0.00 O ATOM 729 CG2 THR B 27 -10.971 -2.766 -1.480 1.00 0.00 C ATOM 730 H THR B 27 -9.199 -0.597 -1.678 1.00 0.00 H ATOM 731 HA THR B 27 -10.227 -1.175 -4.374 1.00 0.00 H ATOM 732 HB THR B 27 -10.917 -3.226 -3.567 1.00 0.00 H ATOM 733 HG1 THR B 27 -12.950 -1.602 -2.457 1.00 0.00 H ATOM 734 HG21 THR B 27 -10.810 -1.859 -0.918 1.00 0.00 H ATOM 735 HG22 THR B 27 -11.812 -3.301 -1.073 1.00 0.00 H ATOM 736 HG23 THR B 27 -10.086 -3.383 -1.426 1.00 0.00 H ATOM 737 N PRO B 28 -10.657 1.257 -2.993 1.00 0.00 N ATOM 738 CA PRO B 28 -11.366 2.536 -2.712 1.00 0.00 C ATOM 739 C PRO B 28 -12.196 3.013 -3.917 1.00 0.00 C ATOM 740 O PRO B 28 -12.482 4.188 -4.044 1.00 0.00 O ATOM 741 CB PRO B 28 -10.232 3.517 -2.438 1.00 0.00 C ATOM 742 CG PRO B 28 -9.050 2.958 -3.161 1.00 0.00 C ATOM 743 CD PRO B 28 -9.215 1.463 -3.201 1.00 0.00 C ATOM 744 HA PRO B 28 -11.986 2.442 -1.837 1.00 0.00 H ATOM 745 HB2 PRO B 28 -10.483 4.495 -2.823 1.00 0.00 H ATOM 746 HB3 PRO B 28 -10.027 3.569 -1.379 1.00 0.00 H ATOM 747 HG2 PRO B 28 -9.014 3.354 -4.166 1.00 0.00 H ATOM 748 HG3 PRO B 28 -8.142 3.208 -2.633 1.00 0.00 H ATOM 749 HD2 PRO B 28 -8.902 1.080 -4.162 1.00 0.00 H ATOM 750 HD3 PRO B 28 -8.653 1.004 -2.404 1.00 0.00 H ATOM 751 N LYS B 29 -12.589 2.132 -4.799 1.00 0.00 N ATOM 752 CA LYS B 29 -13.398 2.564 -5.974 1.00 0.00 C ATOM 753 C LYS B 29 -12.606 3.565 -6.821 1.00 0.00 C ATOM 754 O LYS B 29 -12.520 4.733 -6.499 1.00 0.00 O ATOM 755 CB LYS B 29 -14.641 3.230 -5.377 1.00 0.00 C ATOM 756 CG LYS B 29 -15.235 2.326 -4.293 1.00 0.00 C ATOM 757 CD LYS B 29 -16.255 3.116 -3.470 1.00 0.00 C ATOM 758 CE LYS B 29 -15.698 3.358 -2.065 1.00 0.00 C ATOM 759 NZ LYS B 29 -16.821 3.980 -1.309 1.00 0.00 N ATOM 760 H LYS B 29 -12.358 1.191 -4.692 1.00 0.00 H ATOM 761 HA LYS B 29 -13.686 1.713 -6.568 1.00 0.00 H ATOM 762 HB2 LYS B 29 -14.368 4.180 -4.946 1.00 0.00 H ATOM 763 HB3 LYS B 29 -15.374 3.385 -6.155 1.00 0.00 H ATOM 764 HG2 LYS B 29 -15.724 1.482 -4.758 1.00 0.00 H ATOM 765 HG3 LYS B 29 -14.447 1.975 -3.645 1.00 0.00 H ATOM 766 HD2 LYS B 29 -16.448 4.064 -3.950 1.00 0.00 H ATOM 767 HD3 LYS B 29 -17.174 2.554 -3.399 1.00 0.00 H ATOM 768 HE2 LYS B 29 -15.407 2.422 -1.610 1.00 0.00 H ATOM 769 HE3 LYS B 29 -14.859 4.037 -2.104 1.00 0.00 H ATOM 770 HZ1 LYS B 29 -17.660 3.370 -1.371 1.00 0.00 H ATOM 771 HZ2 LYS B 29 -16.545 4.091 -0.311 1.00 0.00 H ATOM 772 HZ3 LYS B 29 -17.039 4.911 -1.714 1.00 0.00 H ATOM 773 N THR B 30 -12.026 3.114 -7.900 1.00 0.00 N ATOM 774 CA THR B 30 -11.239 4.041 -8.765 1.00 0.00 C ATOM 775 C THR B 30 -10.121 4.699 -7.953 1.00 0.00 C ATOM 776 O THR B 30 -9.869 5.872 -8.171 1.00 0.00 O ATOM 777 CB THR B 30 -12.244 5.090 -9.240 1.00 0.00 C ATOM 778 OG1 THR B 30 -13.551 4.531 -9.224 1.00 0.00 O ATOM 779 CG2 THR B 30 -11.893 5.528 -10.662 1.00 0.00 C ATOM 780 OXT THR B 30 -9.535 4.016 -7.128 1.00 0.00 O ATOM 781 H THR B 30 -12.107 2.168 -8.142 1.00 0.00 H ATOM 782 HA THR B 30 -10.831 3.511 -9.611 1.00 0.00 H ATOM 783 HB THR B 30 -12.210 5.947 -8.585 1.00 0.00 H ATOM 784 HG1 THR B 30 -14.143 5.172 -8.822 1.00 0.00 H ATOM 785 HG21 THR B 30 -11.147 4.860 -11.071 1.00 0.00 H ATOM 786 HG22 THR B 30 -12.779 5.498 -11.278 1.00 0.00 H ATOM 787 HG23 THR B 30 -11.502 6.535 -10.643 1.00 0.00 H TER 788 THR B 30 ENDMDL CONECT 82 146 CONECT 92 424 CONECT 146 82 CONECT 293 604 CONECT 424 92 CONECT 604 293 MASTER 177 0 0 3 0 0 0 6 405 2 6 5 END

Proteini su najraznovrsnija skupina organskih spojeva u prirodi. To su polimeri građeni od aminokiselina, a njihova struktura je ključna za njihovu funkciju.

Srna i srndać ( Capreolus capreolus) snimljeni u šumi u Estoniji

Fotografija prikazuje jelena i košutu u šumi.Na fotografiji se vidi i snijeg.

Rogovi, kopita, dlaka, koža i mišići izgrađeni su najvećim dijelom od bjelančevina. Od bjelančevina su izgrađeni i enzimi, antitijela ili primjerice hemoglobin.

Naziv proteini (grč. protos – prvi) dao je švedski kemičar Jöns Jakob Berzelius.

Aminokiseline

Aminokiseline su organske molekule koje uvijek sadrže dvije funkcijske skupine: karboksilnu i amino-skupinu. Sve aminokiseline nađene u proteinima su α-aminokiseline. To znači da je amino-skupina vezana na drugi ugljikov atom koji je označen kao α jer se nalazi u neposrednom susjedstvu karboksilne skupine.

Aminokiseline su organske molekule koje uvijek sadrže dvije funkcijske skupine:

  1. karboksilnu i
  2. amino-skupinu.

Sve aminokiseline nađene u proteinima su α-aminokiseline.

To znači da je amino-skupina vezana na drugi ugljikov atom koji je označen kao α.

To je zato jer se nalazi u neposrednom susjedstvu karboksilne skupine.

Opća strukturna formula aminokiselina

Fotografija prikazuje oću strukturnu formulu aminokiselina.Amino skupina je obojana plavom bojom, a karboksilna crvenom.

Najjednostavnije aminokiseline su α-aminoetanska kiselina poznatija kao glicin te α-aminopropanska kiselina ili alanin. Za aminokiseline se uobičajeno koriste trivijalna imena i međunarodne troslovne kratice, primjerice za glicin je kratica Gly, a za alanin Ala.

Najjednostavnije aminokiseline su α-aminoetanska kiselina poznatija kao glicin

te α-aminopropanska kiselina ili alanin.

Za aminokiseline se uobičajeno koriste trivijalna imena.

Također, koristimo međunarodne troslovne kratice, primjerice za glicin je kratica Gly, a za alanin Ala.

Rotirajući trodimenzijski model molekule glicina

conf.poster.alt
750 -OEChem-03082011273D 10 9 0 0 0 0 0 0 0999 V2000 -1.6487 0.6571 -0.0104 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4837 -1.2934 -0.0005 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9006 -0.0812 -0.0090 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7341 0.7867 0.0079 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5023 -0.0691 0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7326 1.4215 -0.8824 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7464 1.4088 0.9069 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8743 -0.6844 -0.8301 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8887 -0.6969 0.8031 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4447 0.0839 -0.0260 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 10 1 0 0 0 0 2 5 2 0 0 0 0 3 4 1 0 0 0 0 3 8 1 0 0 0 0 3 9 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 7 1 0 0 0 0 M END > <PUBCHEM_COMPOUND_CID> 750 > <PUBCHEM_CONFORMER_RMSD> 0.4 > <PUBCHEM_CONFORMER_DIVERSEORDER> 1 2 > <PUBCHEM_MMFF94_PARTIAL_CHARGES> 8 1 -0.65 10 0.5 2 -0.57 3 -0.99 4 0.33 5 0.66 8 0.36 9 0.36 > <PUBCHEM_EFFECTIVE_ROTOR_COUNT> 1 > <PUBCHEM_PHARMACOPHORE_FEATURES> 5 1 1 acceptor 1 2 acceptor 1 3 cation 1 3 donor 3 1 2 5 anion > <PUBCHEM_HEAVY_ATOM_COUNT> 5 > <PUBCHEM_ATOM_DEF_STEREO_COUNT> 0 > <PUBCHEM_ATOM_UDEF_STEREO_COUNT> 0 > <PUBCHEM_BOND_DEF_STEREO_COUNT> 0 > <PUBCHEM_BOND_UDEF_STEREO_COUNT> 0 > <PUBCHEM_ISOTOPIC_ATOM_COUNT> 0 > <PUBCHEM_COMPONENT_COUNT> 1 > <PUBCHEM_CACTVS_TAUTO_COUNT> 1 > <PUBCHEM_CONFORMER_ID> 000002EE00000001 > <PUBCHEM_MMFF94_ENERGY> 2.2569 > <PUBCHEM_FEATURE_SELFOVERLAP> 25.429 > <PUBCHEM_SHAPE_FINGERPRINT> 139733 1 9221305500492508682 16714656 1 18334301928958962636 20096714 4 18408886234834677880 21015797 1 9580758932782445613 21040471 1 18410573955102640736 5460574 1 9295288339411764896 5943 1 16976965699258066967 > <PUBCHEM_SHAPE_MULTIPOLES> 86.18 1.9 1.06 0.56 0.45 0.2 0 -0.21 0.01 -0.19 0 0.01 -0.02 0 > <PUBCHEM_SHAPE_SELFOVERLAP> 152.844 > <PUBCHEM_SHAPE_VOLUME> 56.2 > <PUBCHEM_COORDINATE_TYPE> 2 5 10 $$$$

Rotirajući trodimenzijski model molekule alanina

conf.poster.alt
602 -OEChem-03082011273D 13 12 0 1 0 0 0 0 0999 V2000 1.4573 -1.0438 0.2682 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2492 1.1165 -0.4047 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4105 1.1507 0.1821 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7085 -0.1136 0.3937 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.3345 -1.2000 -0.4702 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7470 0.0903 0.0308 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7666 -0.3737 1.4558 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8580 -2.1695 -0.2878 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4023 -1.3127 -0.2521 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2248 -0.9797 -1.5384 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3916 1.0420 0.4376 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4071 1.3875 -0.8099 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4062 -0.9341 0.0447 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 13 1 0 0 0 0 2 6 2 0 0 0 0 3 4 1 0 0 0 0 3 11 1 0 0 0 0 3 12 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 7 1 0 0 0 0 5 8 1 0 0 0 0 5 9 1 0 0 0 0 5 10 1 0 0 0 0 M END > <PUBCHEM_COMPOUND_CID> 602 > <PUBCHEM_CONFORMER_RMSD> 0.4 > <PUBCHEM_CONFORMER_DIVERSEORDER> 1 2 4 3 > <PUBCHEM_MMFF94_PARTIAL_CHARGES> 8 1 -0.65 11 0.36 12 0.36 13 0.5 2 -0.57 3 -0.99 4 0.33 6 0.66 > <PUBCHEM_EFFECTIVE_ROTOR_COUNT> 1 > <PUBCHEM_PHARMACOPHORE_FEATURES> 5 1 1 acceptor 1 2 acceptor 1 3 cation 1 3 donor 3 1 2 6 anion > <PUBCHEM_HEAVY_ATOM_COUNT> 6 > <PUBCHEM_ATOM_DEF_STEREO_COUNT> 0 > <PUBCHEM_ATOM_UDEF_STEREO_COUNT> 1 > <PUBCHEM_BOND_DEF_STEREO_COUNT> 0 > <PUBCHEM_BOND_UDEF_STEREO_COUNT> 0 > <PUBCHEM_ISOTOPIC_ATOM_COUNT> 0 > <PUBCHEM_COMPONENT_COUNT> 1 > <PUBCHEM_CACTVS_TAUTO_COUNT> 1 > <PUBCHEM_CONFORMER_ID> 0000025A00000001 > <PUBCHEM_MMFF94_ENERGY> 1.5212 > <PUBCHEM_FEATURE_SELFOVERLAP> 25.429 > <PUBCHEM_SHAPE_FINGERPRINT> 139733 1 10810435145306950879 16714656 1 17834121844547885910 20096714 4 18336274448292194721 21015797 1 9294747371048054674 21040471 1 18199189481819369609 24536 1 17822010959911299856 29004967 10 17974853083746877907 5943 1 9765632475707704811 > <PUBCHEM_SHAPE_MULTIPOLES> 106.76 1.92 1.35 0.68 0.03 0.06 -0.01 -0.14 -0.16 -0.16 -0.03 -0.04 -0.03 -0.3 > <PUBCHEM_SHAPE_SELFOVERLAP> 193.798 > <PUBCHEM_SHAPE_VOLUME> 68.8 > <PUBCHEM_COORDINATE_TYPE> 2 5 10 $$$$

Sve aminokiseline osim glicina imaju simetrično supstituiran α-ugljikov atom i prema tome su kiralne molekule. Kod aminokiselina se za određivanje kiralnih spojeva, kao i kod ugljikohidrata, koristi relativna konfiguracija, a njihova se struktura prikazuje Fischerovom projekcijskom formulom.

Sve aminokiseline osim glicina imaju simetrično supstituiran α-ugljikov atom.

Prema tome su kiralne molekule.

Kod aminokiselina se za određivanje kiralnih spojeva koristi relativna konfiguracija.

Isto kao i kod ugljikohidrata.

Njihova se struktura prikazuje Fischerovom projekcijskom formulom.

Crtanje Fischerove projekcijske formule L- i D-alanina

Fotografija prikazuje  crtanje Fischerove projekcijske formule L i D alanina. S lijeva na desno su prikazani prvo modeli, zatim klinaste pa onda strukturne formule ovih spojeva.

Sve aminokiseline koje nalazimo u proteinima imaju imaju L-konfiguraciju, na α-ugljikovom atomu. Prema apsolutnoj konfiguraciji sve aminokiseline imaju R-konfiguraciju, osim cisteina koji ima S-konfiguraciju.

Nacrtajte Fischerove projekcijske formule prikazanih enantiomera cisteina i odredite relativnu konfiguraciju obiju struktura.

 

Fotografija prikazuje klinastu formulu dvaju spojeva.
Fotografija prikazuje  dvije strukturne formule enantiomera cistina.

Međusobne razlike između pojedinih aminokiselina odnose se na bočni ogranak označen slovom “R” u općoj formuli. U bočnom ogranku aminokiseline može biti vodik kao kod glicina ili alkilna skupina, ali i neke funkcijske skupine kao što je hidroksilna (–OH), tiolna (–SH), karboksilna (–COOH), amino (–NH2), amidna (–CONH2) i druge. Zanimljivo je istaknuti da od stotinjak poznatih prirodnih aminokiselina, samo njih dvadesetak sudjeluje u izgradnji bjelančevina. Neke od njih mogu se sintetizirati u ljudskom organizmu pa se nazivaju neesencijalne (nebitne) aminokiseline, dok druge organizam mora dobivati kroz proteine u hrani i one se nazivaju esencijalne (bitne) aminokiseline. U tablicama aminokiselina one su označene zvjezdicom (*).

Međusobne razlike između pojedinih aminokiselina odnose se na bočni ogranak označen slovom “R” u općoj formuli.

U bočnom ogranku aminokiseline može biti vodik kao kod glicina ili alkilna skupina.

Mogu biti i neke funkcijske skupine kao što je:

  • hidroksilna (–OH)
  • tiolna (–SH)
  • karboksilna (–COOH)
  • amino (–NH2)
  • amidna (–CONH2) i druge.

Zanimljivo je istaknuti da od stotinjak poznatih prirodnih aminokiselina,

samo njih dvadesetak sudjeluje u izgradnji bjelančevina.

Neke od njih mogu se sintetizirati u ljudskom organizmu.

Zato se nazivaju neesencijalne (nebitne) aminokiseline.

Druge organizam mora dobivati kroz proteine u hrani.

One se nazivaju esencijalne (bitne) aminokiseline.

U tablicama aminokiselina one su označene zvjezdicom (*).

Problemski zadatak

Esencijalnim aminokiselinama bogate su namirnice životinjskog podrijetla kao riba, meso, jaja i mlijeko, a od namirnica biljnog podrijetla ističe se soja.

Fotografija prikazuje prehrambene proizvode koji su bogati esencijalnim aminokiselinama. Na fotografiji se vide: jaja, avokado, komad lososa, komad crvenog mesa, špinat, orašidi, soja.

Istražite koje se aminokiseline kriju iza kratice BCAA i kakav učinak imaju na ljudsko zdravlje.

Svojstva aminokiselina

Aminokiseline su kristalinične čvrste tvari s neočekivano visokim temperaturama tališta koje se kreću od 200 do 300 °C. Topljive su u vodi, a netopljive u organskim otapalima, baš kao soli s ionskom kristalnom strukturom.

Aminokiseline su kristalinične čvrste tvari.

Imaju neočekivano visoke temperature tališta koje se kreću od 200 do 300 °C.

Topljive su u vodi.

Netopljive u organskim otapalima.

Baš kao soli s ionskom kristalnom strukturom.

Problemski zadatak

Na prikazanom pokusu otapanja glicina u vodi, uočite da je glicin bijeli kristalinični prah koji se brzo otapa u vodi. Koristeći svoje predznanje o karboksilnim kiselinama i aminima obrazložite svoja zapažanja.

Video 1.

Otapanje glicina u vodi

Otapanje glicina u vodi
0

Zbog prisutnosti amino i karboksilne skupine u istoj molekuli, aminokiseline imaju svojstva i kiselina i baza pa kažemo da su amfoterne. Karboksilna skupina može otpustiti proton, dok amino-skupina može vezati proton preko nepodjeljenog elektronskog para na atomu dušika.

Zbog prisutnosti amino i karboksilne skupine u istoj molekuli, aminokiseline imaju svojstva i kiselina i baza.

Kažemo da su amfoterne.

Karboksilna skupina može otpustiti proton.

Amino-skupina može vezati proton preko nepodjeljenog elektronskog para na atomu dušika.

Kada su karboksilna i amino-skupina jednako ionizirane nastaje dipolarni ion tzv. zwitterion.

Fotografija prikazuje kation, zwitterion i anion. Prikazani su strukturnim formulama.

Za lakše razumijevanje svojstava aminokiselina obnovite svoje znanje o amfoternosti i kiselo-baznim reakcijama. pH-vrijednost pri kojoj je aminokiselina u vodenoj otopini u obliku zwitteriona naziva se  . pH-vrijednost izoelektrične točke karakteristična je za svaku kiselinu. U izoelektričnoj točki topljivost aminokiselina u vodi je najmanja.

Za lakše razumijevanje svojstava aminokiselina obnovite svoje znanje o amfoternosti i kiselo-baznim reakcijama.

pH-vrijednost pri kojoj je aminokiselina u vodenoj otopini

u obliku zwitteriona naziva se izoelektrična točka.

pH-vrijednost izoelektrične točke karakteristična je za svaku kiselinu.

U izoelektričnoj točki topljivost aminokiselina u vodi je najmanja.

Problemski zadatak

Promjenom pH-vrijednosti otopine, topljivost zwitteriona se povećava. Istražite zašto se to zbiva i kako izgleda titracijska krivulja neke aminokiseline. 

Naboj molekule aminokiseline ovisi o pH-vrijednostima vodene otopine. U jako kiseloj vodenoj otopini molekula aminokiseline prisutna je u kationskom obliku zbog nastajanja amonijeva iona. U jako lužnatoj otopini molekula aminokiseline je u anionskom obliku zbog prisutnosti karboksilatnog iona.

Naboj molekule aminokiseline ovisi o pH-vrijednostima vodene otopine.

U jako kiseloj vodenoj otopini molekula aminokiseline prisutna je

u kationskom obliku zbog nastajanja amonijeva iona.

U jako lužnatoj otopini molekula aminokiseline je

u anionskom obliku zbog prisutnosti karboksilatnog iona.

Kation, zwitterion, anion

Fotografija prikazuje kation, zwitterion i anion. Prikazani su strukturnim formulama.

Zadatak:

Nacrtajte strukturu oblika alanina koja prevladava u vodenoj otopini kojoj je:

a) pH = 1;    b) pH = 7,4;    c) pH = 12.

Fotogragija je dio flipcard zadatka. Prikazane su tri strukturne formule alanina pri različitim pH vrijednostima. Amino skupina je obojana plavim slovima, a karboksilna crvenim.

Na temelju fizikalno-kemijskih svojstava aminokiseline se dijele na:

  • neutralne aminokiseline s nepolarnim bočnim lancem
  • neutralne aminokiseline s neionizirajućim polarnim skupinama u bočnom lancu
  • kisele aminokiseline koje sadrže još jednu karboksilnu skupinu
  • bazične aminokiseline koje sadrže još jednu bazičnu skupinu.

U tablicama su prikazane strukturne formule aminokiselina koje ulaze u sastav proteina.

neutralne nepolarne aminokiseline

Fotografija prikazuje 7 strukturnih formula neutralnih nepolarnih aminokiselina. Amino skupina je obojana plavom, a karboksilna crvenom bojom. Prikazani su : glicin, alanin, izoleucin, triptofan, fenilalanin, prolin, metionin, leucin.

neutralne polarne aminokiseline

Fotografija prikazuje strukturne formule 6 neutralnih polarnih aminokiselina. Amino skupina je obojana plavom bojom, a karboksilna crvenom.Prikazani su: serin, treonin, tirozin, asparagin, glutamin, cistein.

kisele aminokiseline

Fotografija prikazuje  strukturnu formulu dviju kiselih aminikiselina. Prvo je prikazana asparaginska, a do nje glutaminska kiselina. Amino skupina  im je obojena plavom, a karboksilna crvenom bojom.

bazične aminokiseline

Fotografija prikazuje  3 strukturne formule idućih bazičnih aminoliselina. Prvo je prikazan lizin, zatim arginin, zatim histidin. Amino skupine su obojane plavom, a karboksilne crvenom bojom.
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Na stručnim mrežnim stranicama istražite koje se aminokiseline ubrajaju u skupinu aminokiselina s električki nabijenim bočnim lancem,  proučite njihove strukture i obrazložite zašto postoji i ovakva podjela aminokiselina. 

Za identifikaciju aminokiselina obično se koriste tankoslojna kromatografija i test s ninhidrinom. Sve aminokiseline reagiraju s ninhidrinom dajući ljubičasto obojenje, osim aminokiseline prolin koja daje žuto obojenje. Ova se reakcija može primijeniti i u kvalitativnoj i u kvantitativnoj analizi aminokiselina.

Na stručnim mrežnim stranicama istražite koje se aminokiseline ubrajaju

u skupinu aminokiselina s električki nabijenim bočnim lancem.

Proučite njihove strukture i obrazložite zašto postoji i ovakva podjela aminokiselina. 

 

Za identifikaciju aminokiselina obično se koriste tankoslojna kromatografijatest s ninhidrinom

Sve aminokiseline reagiraju s ninhidrinom dajući ljubičasto obojenje.

Osim aminokiseline prolin koja daje žuto obojenje.

Ova se reakcija može primijeniti i u kvalitativnoj i u kvantitativnoj analizi aminokiselina.

Plava boja ninhidrina se u reakciji s aminokiselinom prolin mijenja u žutu

Fotografija prikazuje 6 epruveta. U prvoj je prozirna tekućina. U ostalima su izmjenično žuta pa ljubičasta tekućina.

Za sljedeće tvrdnje odredite jesu li točne ili netočne.

Za sadržaj sumpora u ljudskom organizmu odgovorne su dvije aminokiseline.

Prema relativnoj konfiguraciji aminokiseline su L-konfiguracije.

Esencijalne aminokiseline su važnije od neesencijalnih aminokiselina.

U vodenim otopinama aminokiseline su električki neutralne u obliku dipolarnog iona.

Prirodni proteini građeni su samo od α-aminokiselina.

Sve aminokiseline sadrže samo jednu aminoskupinu.

Molekula glicina je optički aktivna.

Sustavno ime glutaminske kiseline je 4-karboksi-2-aminobutanska kiselina.

Aminokiseline su dobro topljive u organskim otapalima.

Aminokiseline imaju amfoterna svojstva.

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Peptidi

Aminokiseline se mogu međusobno povezivati peptidnom vezom u veće molekule koje zovemo peptidi. Peptidna veza nastaje tako da karboksilna skupina jedne kiseline reagira s amino-skupinom druge kiseline uz izlazak molekule vode. Povezivanjem dviju aminokiselina nastane dipeptid.

Aminokiseline se mogu međusobno povezivati peptidnom vezom

u veće molekule koje zovemo peptidi

Peptidna veza nastaje tako da karboksilna skupina jedne kiseline

reagira s amino-skupinom druge kiseline uz izlazak molekule vode.

Povezivanjem dviju aminokiselina nastane dipeptid.

Video 2.

Nastajanje peptidne veze

Nastajanje peptidne veze
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Nastajanje peptidne veze

Fotografija prikazuje nastajanje peptidne veze.Aminokiseline su prikazane strukturnim formulama.  Jedna od molekula gubi kisik (O), a druga dvije molekule vodika (H). Na tom se mjestu vežu ugljik (C) jedne molekule i dušik (N) iz druge. Na tom mjestu nastaje peptidna veza.

 sadrži karakterističnu –CO–NH– skupinu iz čega se vidi da su peptidi po svom sastavu amidi. Peptidi čije su molekule izgrađene od dvije aminokiseline nazivaju se dipeptidi, od tri aminokiseline tripeptidi itd. Peptide koji su izgrađeni od najviše 10 aminokiseline naziva se oligopeptidi, do 100 aminokiselina su polipeptidi, a s više od 100 aminokiselina govori se o proteinima.

U nekom peptidu uobičajeno je aminokiselinu sa slobodnom amino-skupinom zvanu N-terminalna aminokiselina prikazati na lijevoj strani peptida, a aminokiselinu sa slobodnom karboksilnom skupinom zvan C-terminalna aminokiselina na desnoj strani peptida.

Peptidna veza sadrži karakterističnu –CO–NH– skupinu.

Iz toga se vidi da su peptidi po svom sastavu amidi.

Peptidi čije su molekule izgrađene od dvije aminokiseline nazivaju se dipeptidi, od tri aminokiseline tripeptidi itd.

Peptide koji su izgrađeni od najviše 10 aminokiseline naziva se oligopeptidi,

do 100 aminokiselina su polipeptidi.

Kada imamo peptide s više od 100 aminokiselina govori se o proteinima.

 

U nekom peptidu uobičajeno je aminokiselinu sa slobodnom amino-skupinom

zvanu N-terminalna aminokiselina prikazati na lijevoj strani peptida.

Aminokiselinu sa slobodnom karboksilnom skupinom zvanu C-terminalna aminokiselina na desnoj strani peptida.

Peptidna veza

Fotografija prikazuje peptidne veze.Za opisivanje sastava nekog proteina osim aminokiselina koje ga grade potrebno je znati i njihov redoslijed, odnosno sekvenciju aminokiselina

Za opisivanje sastava nekog proteina osim aminokiselina koje ga grade potrebno je znati i njihov redoslijed, odnosno sekvenciju aminokiselina. Nazivi peptida tvore se slaganjem naziva ili kratica pojedinih aminokiselina.

Proučite prikazani pentapeptid i napišite njegov naziv uporabom troslovnih kratica aminokiselina.

Fotografija prikazuje strukturnu formulu određenog peptida.Lagano su osjenčane sekvence peptida koje pomažu u njegovom imenovanju.

Odgovor:

Naziv prikazanog pentapeptida je:

  Val-Asp-Ala-Arg-Gly

Problemski zadatak

Nacrtajte strukturnu formulu tripeptida sastava Gly-Val-Ala i na dobivenoj strukturi odredite N-terminalnu i C-terminalnu aminokiselinu te peptidne veze. Na osnovi kemijskog sastava predložite agregacijsko stanje dobivenog spoja te procijenite njegovu topljivost u vodi. Svoja predviđanja provjerite na stručnoj kemijskoj bazi podataka.

Nacrtajte strukturnu formulu tripeptida sastava Gly-Val-Ala.

Na dobivenoj strukturi odredite N-terminalnuC-terminalnu aminokiselinu te peptidne veze.

Na osnovi kemijskog sastava predložite agregacijsko stanje dobivenog spoja.

Procijenite njegovu topljivost u vodi.

Svoja predviđanja provjerite na stručnoj kemijskoj bazi podataka.

Što se zbiva kod oblačenja ‘’najlonki’’?

https://www.shutterstock.com/image-photo/retro-nylon-stockings-hands-young-girl-310133048

Zbog rotacije oko jednostruke kovalentne veze C–N peptidne skupine (amidne skupine) moguće je prostorno usmjeravanje kisikova i vodikova atoma u cis- ili trans- položaj. Za prijelaz jednog oblika u drugi potrebno je malo energije. Tako pri oblačenju svilenih, ili pak najlonskih čarapa rastezanje donosi dostatnu energiju za prijelaz iz cis- u trans- položaj i obrnuto.

Problemski zadatak

Oksitocin je hormon stražnjeg režnja hipofize, a izlučuju ga završetci neurona čije su jezgre u hipotalamusu. Ovaj hormon potiče kontrakcije maternice kod poroda, a ima važnu ulogu i u procesu laktacije. Po kemijskom sastavu je peptid sastavljen od devet aminokiselina čiji je slijed: Cys-Tyr-Ile-Gln-Asn-Cys-Pro-Leu-Gly.

Oksitocin je prvi hormon sintetiziran u laboratorijskim uvjetima, a koristi se za poticanje trudova kod poroda. Provjerite koliko je esencijalnih aminokiselina u sastavu oksitocina. Koristeći rotirajući trodimenzijski model molekule oksitocina istražite koliko je atoma sumpora u sastavu molekule te jesu li međusobno povezani. Provjerite koje aminokiseline sadrže atom sumpora i koje su od njih u sastavu oksitocina.

Oksitocin je hormon stražnjeg režnja hipofize.

Izlučuju ga završetci neurona čije su jezgre u hipotalamusu.

Ovaj hormon potiče kontrakcije maternice kod poroda.

Ima važnu ulogu i u procesu laktacije.

Po kemijskom sastavu je peptid

sastavljen od devet aminokiselina čiji je slijed: Cys-Tyr-Ile-Gln-Asn-Cys-Pro-Leu-Gly.

 

Oksitocin je prvi hormon sintetiziran u laboratorijskim uvjetima.

Koristi se za poticanje trudova kod poroda.

Provjerite koliko je esencijalnih aminokiselina u sastavu oksitocina.

Koristeći rotirajući trodimenzijski model molekule oksitocina istražite

koliko je atoma sumpora u sastavu molekule te jesu li međusobno povezani.

Provjerite koje aminokiseline sadrže atom sumpora i koje su od njih u sastavu oksitocina.

Rotirajući trodimenzijski model molekule oksitocina

conf.poster.alt
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-1.5708 C 0 0 2 0 0 0 0 0 0 0 0 0 1.8658 4.8657 -1.9270 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7139 3.8170 -0.4391 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1438 3.3220 0.4317 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4366 4.8379 -0.1767 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7603 2.9109 -0.9833 S 0 0 0 0 0 0 0 0 0 0 0 0 1.2786 2.9923 -2.6747 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9417 2.9927 -3.4352 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0956 2.0529 -2.3551 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1533 2.8619 0.0560 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1220 1.0792 -2.8380 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6540 -1.4927 0.5314 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6376 -3.4541 -1.6865 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5365 -2.2556 1.5712 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 12 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 15 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 18 1 0 0 0 0 8 18 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 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86 1 0 0 0 0 86 87 1 0 0 0 0 86 88 1 0 0 0 0 88 89 1 0 0 0 0 88 90 1 0 0 0 0 88 91 1 0 0 0 0 86 92 1 0 0 0 0 92 93 1 0 0 0 0 92 94 1 0 0 0 0 92 95 1 0 0 0 0 95 96 1 0 0 0 0 95 97 1 0 0 0 0 95 98 1 0 0 0 0 84 99 1 0 0 0 0 99100 1 0 0 0 0 99101 1 0 0 0 0 101102 1 0 0 0 0 102103 1 0 0 0 0 102104 1 0 0 0 0 104105 1 0 0 0 0 104106 1 0 0 0 0 104107 1 0 0 0 0 107108 1 0 0 0 0 108109 1 0 0 0 0 108110 2 0 0 0 0 110111 1 0 0 0 0 110112 1 0 0 0 0 112113 2 0 0 0 0 113114 1 0 0 0 0 113115 1 0 0 0 0 107115 2 0 0 0 0 115116 1 0 0 0 0 112117 1 0 0 0 0 117118 1 0 0 0 0 102119 1 0 0 0 0 119120 1 0 0 0 0 119121 1 0 0 0 0 121122 1 0 0 0 0 122123 1 0 0 0 0 122124 1 0 0 0 0 124125 1 0 0 0 0 124126 1 0 0 0 0 124127 1 0 0 0 0 1127 1 0 0 0 0 122128 1 0 0 0 0 128129 1 0 0 0 0 128130 1 0 0 0 0 121131 2 0 0 0 0 101132 2 0 0 0 0 83133 2 0 0 0 0 67134 2 0 0 0 0 54135 2 0 0 0 0 M END $$$$

Proteini

Proteini su polipeptidi velike molekulske mase (od 104 do 10Da), a građeni od dugih lanaca u kojima je povezano i do tisuću aminokiselina. Čvrsti netopljivi proteini kao što su svila, vuna ili kolagen sadrže veliki udio jedne ili dvije hidrofobne aminokiseline, primjerice glicin, prolin ili leucin. Proteini s velikim udjelom polarnih aminokiselina u strukturi obično su topljivi u vodi.

Proteini su polipeptidi velike molekulske mase (od 104 do 10Da).

Građeni od dugih lanaca u kojima je povezano i do tisuću aminokiselina.

Čvrsti netopljivi proteini kao što su svila, vuna ili kolagen sadrže veliki udio

jedne ili dvije hidrofobne aminokiseline, primjerice glicin, prolin ili leucin.

Proteini s velikim udjelom polarnih aminokiselina u strukturi obično su topljivi u vodi.

Podjela proteina

Fotografija je umna mapa podjele proteina. Mogu biti jednostavni i složeni ili konjugirani, neproteinski  i proteinski.

Podjela proteina

Fotografija je umna mapa podjele proteina. Mogu biti jednostavni i složeni ili konjugirani, neproteinski  i proteinski.

Na stručnim mrežnim stranicama istražite koje se tvari ubrajaju u složene proteine i kakva im je uloga. Proteini koji imaju boju nazivaju se kromoproteini, istražite koje su to tvari, od čega im potječe boja i kakva im je biološka uloga.

Prisutnost proteina u nekom uzorku jednostavno dokazujemo biuret-reakcijom. Reakcija se izvodi u lužnatom mediju pri čemu se protein hidrolizira na aminokiseline koje s bakrovim(II) ionima daju ljubičasto obojenje.

Biuret test za dokazivanje proteina

Fotografija prikazuje  nekoliko staklenih epruveta. U jednoj je ljubičasta tekućina.

Ksantoproteinska reakcija je jednostavan test za dokazivanje aminokiselina s aromatskim bočnim ogrankom u nekom proteinu. Dodatkom dušične kiseline nastaje žuto obojenje (grč. xanthos-žut). Ksantroproteinska reakcija razlog je pojave žute boje zubiju, noktiju i kože prstiju kod pušača.

Ksantoproteinska reakcija je jednostavan test za dokazivanje aminokiselina

s aromatskim bočnim ogrankom u nekom proteinu.

Dodatkom dušične kiseline nastaje žuto obojenje (grč. xanthos-žut).

Ksantroproteinska reakcija razlog je pojave žute boje zubiju, noktiju i kože prstiju kod pušača.

Ksantoproteinska reakcija

Fotografija prikazuje žutu tekućinu u jako maloj epruveti. Vide se i dva prsta ruke.

1. pokus

Fotografija prikazuje ukapavanje prozirne tekućine u epruvetu kapaljkom.

Biuret reakcija

Pročitaj

2. pokus

Fotografija prikazuje ukapavanje prozirne tekućine u epruvetu kapaljkom.

Ksantoproteinska reakcija je demonstracijski pokus kojeg izvodi nastavnik.

Pročitaj

Za opisivanje nekog peptida i proteina potrebno je znati vrstu i redoslijed aminokiselina, a to se postiže hidrolizom peptidnih veza djelovanjem klorovodične kiseline (c(HCl) = 6 mol/L) i uporabom automatiziranih uređaja za određivanje sekvencije aminokiselina.

Uređaj za automatsko sekvencioniranje aminokiselina

Fotografija prikazuje  znanstvenika kao obrađuje proteine u analizatoru.

Struktura proteina može biti organizirana na četiri razine. 

Primarna struktura proteina podrazumijeva redoslijed (sekvenciju) aminokiselina povezanih peptidnim vezama.

Problemski zadatak

Kad na raspolaganju imaš tri aminokiseline, uz uvjet da se pojavljuju samo jedanput mogući broj kombinacija je šest, dakle n! (n faktorijel), u našem slučaju tripeptida, n! = 1· 2· 3 = 6.

Pokušajte izračunati na koliko se različitih načina mogu poredati aminokiseline u tripeptid, s mogućnošću ponavljanja aminokiselina, ako na raspolaganju imate m aminokiselina jedne vrste, n aminokiselina druge vrste i k aminokiselina treće vrste.

Kad na raspolaganju imaš tri aminokiseline,

uz uvjet da se pojavljuju samo jedanput mogući broj kombinacija je šest.

Dakle n! (n faktorijel), u našem slučaju tripeptidan! = 1· 2· 3 = 6.

 

Pokušajte izračunati na koliko se različitih načina mogu poredati aminokiseline u tripeptid,

s mogućnošću ponavljanja aminokiselina.

Na raspolaganju imate m aminokiselina jedne vrsten aminokiselina druge vrste i k aminokiselina treće vrste.

Iz zadatka je vidljivo da broj mogućih kombinacija nevjerojatno raste s porastom broja aminokiselina. Tako bi primjerice lanac koji u nizu ima 100 aminokiselina, a niz je sastavljen od 20 različitih aminokiselina mogao dati 10130 sekvencija aminokiselina. Na sreću, u prirodi se pojavljuje samo ograničeni broj kombinacija. Procijenjeno je da se u prirodi koristi 1012 proteina, a njihovu je selekciju napravila evolucija.

Iz zadatka je vidljivo da broj mogućih kombinacija nevjerojatno raste s porastom broja aminokiselina.

Tako bi primjerice lanac koji u nizu ima 100 aminokiselina,

a niz je sastavljen 20 različitih aminokiselina mogao dati 10130 sekvencija aminokiselina.

Na sreću, u prirodi se pojavljuje samo ograničeni broj kombinacija.

Procijenjeno je da se u prirodi koristi 1012 proteina, a njihovu je selekciju napravila evolucija.

Proširite vidike

Fotografija prikazuje 2 lanca homolognih proteina.

Što su homologni proteini?

 

Pročitaj

Sekundarna struktura proteina je prostorna građa (konformacija) polipeptidnog lanca nastala zbog međumolekulskih vodikovih veza između peptidnih skupina (N–H...O=C).

Vodikove veze mogu nastati unutar istog lanca tako da nastaje α-uzvojnica, koja može biti namotana nadesno ili na lijevo). Kada se vodikove veze stvaraju između dva lanca (paralelna ili antiparalelna) postiže se stabilna struktura zvana ß-naborana ploča. U strukturnom motivu paralelne ß-naborane ploče susjedni se lanci protežu u istom smjeru, dok se u antiparalelnoj ß-naboranoj ploči protežu u suprotnom smjeru. U jednom proteinu se najčešće nalaze oba strukturna motiva, a što je dobro vidljivo na modelima trake.

Sekundarna struktura proteina je prostorna građa (konformacija) polipeptidnog lanca

nastala zbog međumolekulskih vodikovih veza između peptidnih skupina (N–H...O=C).

 

Vodikove veze mogu nastati unutar istog lanca tako da nastaje α-uzvojnica.

Ona može biti namotana nadesno ili na lijevo.

Kada se vodikove veze stvaraju između dva lanca (paralelna ili antiparalelna)

postiže se stabilna struktura zvana ß-naborana ploča.

U strukturnom motivu paralelne ß-naborane ploče susjedni se lanci protežu u istom smjeru.

U antiparalelnoj ß-naboranoj ploči se protežu u suprotnom smjeru.

U jednom proteinu se najčešće nalaze oba strukturna motiva.

To je dobro vidljivo na modelima trake.

Video 3.

Sekundarna struktura proteina

Sekundarna struktura proteina
0

Tercijarna struktura proteina daje prostorni razmještaj i međusoban odnos i vrlo udaljenih aminokiselina u lancu. Tercijarna struktura proteina stabilizirana je nekovalentnim interakcijama kao što su vodikove veze, ionska međudjelovanja i van der Waalsova privlačenja, ali i kovalentnim vezama kao što su disulfidne veze, –S–S–. Disulfidne veze nastaju oksidacijom dviju tiolnih skupina, –SH, u bočnim ograncima aminokiselina cisteina.

Tercijarna struktura proteina daje prostorni razmještaj

i međusoban odnos i vrlo udaljenih aminokiselina u lancu.

Tercijarna struktura proteina stabilizirana je nekovalentnim interakcijama.

Neke od tih interakcija su vodikove veze, ionska međudjelovanja i van der Waalsova privlačenja.

Tercijarne strukture su stabilizirane i kovalentnim vezama kao što su disulfidne veze, –S–S–.

Disulfidne veze nastaju oksidacijom dviju tiolnih skupina, –SH, u bočnim ograncima aminokiselina cisteina.

Struktura prirodno kovrčave kose održava se velikim brojem disulfidnih veza u strukturi keratina. Kovrčanje ravne kose postiže se djelovanjem kemikalija na keratin.

Fotografija prikazuje žensku, mladu osobu kovrčave kose.

Mioglobin je prvi protein kojem je 1957. godine određena tercijarna struktura. Sastoji se od jednog polipeptidnog lanca građenog od 153 aminokiseline i jedne prostetičke skupine hem.

Rotirajući trodimenzijski model molekule mioglobina

conf.poster.alt
HEADER OXYGEN STORAGE 27-AUG-81 1MBD TITLE X-RAY STRUCTURE OF SPERM WHALE DEOXYMOGLOBIN REFINED AT 1.4A TITLE 2 RESOLUTION COMPND MOL_ID: 1; COMPND 2 MOLECULE: MYOGLOBIN; COMPND 3 CHAIN: A; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: PHYSETER CATODON; SOURCE 3 ORGANISM_COMMON: SPERM WHALE; SOURCE 4 ORGANISM_TAXID: 9755 KEYWDS OXYGEN STORAGE EXPDTA X-RAY DIFFRACTION AUTHOR S.E.V.PHILLIPS REVDAT 8 08-NOV-17 1MBD 1 TITLE JRNL REVDAT 7 24-FEB-09 1MBD 1 VERSN REVDAT 6 01-APR-03 1MBD 1 JRNL REVDAT 5 27-OCT-83 1MBD 1 AUTHOR REVDAT 4 30-SEP-83 1MBD 1 REVDAT REVDAT 3 19-APR-83 1MBD 1 REMARK REVDAT 2 07-MAR-83 1MBD 1 SEQRES REVDAT 1 03-FEB-82 1MBD 0 JRNL AUTH S.E.PHILLIPS JRNL TITL X-RAY STRUCTURE OF SPERM WHALE DEOXYMOGLOBIN REFINED AT 1.4A JRNL TITL 2 RESOLUTION JRNL REF TO BE PUBLISHED JRNL REFN REMARK 1 REMARK 1 REFERENCE 1 REMARK 1 AUTH S.E.V.PHILLIPS REMARK 1 TITL STRUCTURE AND REFINEMENT OF OXYMYOGLOBIN AT 1.6 ANGSTROMS REMARK 1 TITL 2 RESOLUTION REMARK 1 REF J.MOL.BIOL. V. 142 531 1980 REMARK 1 REFN ISSN 0022-2836 REMARK 1 REFERENCE 2 REMARK 1 AUTH S.E.V.PHILLIPS REMARK 1 TITL STRUCTURE OF OXYMYOGLOBIN REMARK 1 REF NATURE V. 273 247 1978 REMARK 1 REFN ISSN 0028-0836 REMARK 1 REFERENCE 3 REMARK 1 AUTH S.E.V.PHILLIPS REMARK 1 TITL THE STRUCTURE OF OXY-MYOGLOBIN REMARK 1 REF ACTA CRYSTALLOGR.,SECT.A V. 34 55 1978 REMARK 1 REF 2 (SUPPLEMENT) REMARK 1 REFN ISSN 0567-7394 REMARK 2 REMARK 2 RESOLUTION. 1.40 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : CONSTRAINED RECIPROCAL-SPACE LEAST-SQUARES REMARK 3 AUTHORS : NULL REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 1.40 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : NULL REMARK 3 DATA CUTOFF (SIGMA(F)) : NULL REMARK 3 DATA CUTOFF HIGH (ABS(F)) : NULL REMARK 3 DATA CUTOFF LOW (ABS(F)) : NULL REMARK 3 COMPLETENESS (WORKING+TEST) (%) : NULL REMARK 3 NUMBER OF REFLECTIONS : NULL REMARK 3 REMARK 3 FIT TO DATA USED IN REFINEMENT. REMARK 3 CROSS-VALIDATION METHOD : NULL REMARK 3 FREE R VALUE TEST SET SELECTION : NULL REMARK 3 R VALUE (WORKING SET) : NULL REMARK 3 FREE R VALUE : NULL REMARK 3 FREE R VALUE TEST SET SIZE (%) : NULL REMARK 3 FREE R VALUE TEST SET COUNT : NULL REMARK 3 ESTIMATED ERROR OF FREE R VALUE : NULL REMARK 3 REMARK 3 FIT IN THE HIGHEST RESOLUTION BIN. REMARK 3 TOTAL NUMBER OF BINS USED : NULL REMARK 3 BIN RESOLUTION RANGE HIGH (A) : NULL REMARK 3 BIN RESOLUTION RANGE LOW (A) : NULL REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : NULL REMARK 3 REFLECTIONS IN BIN (WORKING SET) : NULL REMARK 3 BIN R VALUE (WORKING SET) : NULL REMARK 3 BIN FREE R VALUE : NULL REMARK 3 BIN FREE R VALUE TEST SET SIZE (%) : NULL REMARK 3 BIN FREE R VALUE TEST SET COUNT : NULL REMARK 3 ESTIMATED ERROR OF BIN FREE R VALUE : NULL REMARK 3 REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. REMARK 3 PROTEIN ATOMS : 1217 REMARK 3 NUCLEIC ACID ATOMS : 0 REMARK 3 HETEROGEN ATOMS : 48 REMARK 3 SOLVENT ATOMS : 388 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 ESTIMATED COORDINATE ERROR. REMARK 3 ESD FROM LUZZATI PLOT (A) : NULL REMARK 3 ESD FROM SIGMAA (A) : NULL REMARK 3 LOW RESOLUTION CUTOFF (A) : NULL REMARK 3 REMARK 3 CROSS-VALIDATED ESTIMATED COORDINATE ERROR. REMARK 3 ESD FROM C-V LUZZATI PLOT (A) : NULL REMARK 3 ESD FROM C-V SIGMAA (A) : NULL REMARK 3 REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES. REMARK 3 BOND LENGTHS (A) : NULL REMARK 3 BOND ANGLES (DEGREES) : NULL REMARK 3 DIHEDRAL ANGLES (DEGREES) : NULL REMARK 3 IMPROPER ANGLES (DEGREES) : NULL REMARK 3 REMARK 3 ISOTROPIC THERMAL MODEL : NULL REMARK 3 REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS. RMS SIGMA REMARK 3 MAIN-CHAIN BOND (A**2) : NULL ; NULL REMARK 3 MAIN-CHAIN ANGLE (A**2) : NULL ; NULL REMARK 3 SIDE-CHAIN BOND (A**2) : NULL ; NULL REMARK 3 SIDE-CHAIN ANGLE (A**2) : NULL ; NULL REMARK 3 REMARK 3 NCS MODEL : NULL REMARK 3 REMARK 3 NCS RESTRAINTS. RMS SIGMA/WEIGHT REMARK 3 GROUP 1 POSITIONAL (A) : NULL ; NULL REMARK 3 GROUP 1 B-FACTOR (A**2) : NULL ; NULL REMARK 3 REMARK 3 PARAMETER FILE 1 : NULL REMARK 3 TOPOLOGY FILE 1 : NULL REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 1MBD COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY BNL. REMARK 100 THE DEPOSITION ID IS D_1000174919. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : NULL REMARK 200 TEMPERATURE (KELVIN) : NULL REMARK 200 PH : NULL REMARK 200 NUMBER OF CRYSTALS USED : NULL REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : NULL REMARK 200 RADIATION SOURCE : NULL REMARK 200 BEAMLINE : NULL REMARK 200 X-RAY GENERATOR MODEL : NULL REMARK 200 MONOCHROMATIC OR LAUE (M/L) : NULL REMARK 200 WAVELENGTH OR RANGE (A) : NULL REMARK 200 MONOCHROMATOR : NULL REMARK 200 OPTICS : NULL REMARK 200 REMARK 200 DETECTOR TYPE : NULL REMARK 200 DETECTOR MANUFACTURER : NULL REMARK 200 INTENSITY-INTEGRATION SOFTWARE : NULL REMARK 200 DATA SCALING SOFTWARE : NULL REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : NULL REMARK 200 RESOLUTION RANGE HIGH (A) : NULL REMARK 200 RESOLUTION RANGE LOW (A) : NULL REMARK 200 REJECTION CRITERIA (SIGMA(I)) : NULL REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : NULL REMARK 200 DATA REDUNDANCY : NULL REMARK 200 R MERGE (I) : NULL REMARK 200 R SYM (I) : NULL REMARK 200 <I/SIGMA(I)> FOR THE DATA SET : NULL REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : NULL REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : NULL REMARK 200 COMPLETENESS FOR SHELL (%) : NULL REMARK 200 DATA REDUNDANCY IN SHELL : NULL REMARK 200 R MERGE FOR SHELL (I) : NULL REMARK 200 R SYM FOR SHELL (I) : NULL REMARK 200 <I/SIGMA(I)> FOR SHELL : NULL REMARK 200 REMARK 200 DIFFRACTION PROTOCOL: NULL REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: NULL REMARK 200 SOFTWARE USED: NULL REMARK 200 STARTING MODEL: NULL REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 37.53 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 1.97 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: NULL REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 1 21 1 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 -X,Y+1/2,-Z REMARK 290 REMARK 290 WHERE NNN -> OPERATOR NUMBER REMARK 290 MMM -> TRANSLATION VECTOR REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY REMARK 290 RELATED MOLECULES. REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 2 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 2 0.000000 1.000000 0.000000 15.56000 REMARK 290 SMTRY3 2 0.000000 0.000000 -1.000000 0.00000 REMARK 290 REMARK 290 REMARK: NULL REMARK 300 REMARK 300 BIOMOLECULE: 1 REMARK 300 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 600 REMARK 600 HETEROGEN REMARK 600 REMARK 600 HOH 305 IS A FULLY OCCUPIED WATER MOLECULE IN THE HEME POCKET. IN REMARK 600 OXYMYOGLOBIN IT IS PRESENT IN LOW OCCUPANCY CLOSE TO ATOM O1 OF THE REMARK 600 HEME. SEE PAPER CITED AS REFERENCE 1 ABOVE. 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 HEM A 155 FE REMARK 620 N RES CSSEQI ATOM REMARK 620 1 HIS A 93 NE2 REMARK 620 2 HEM A 155 NA 99.6 REMARK 620 3 HEM A 155 NB 96.2 91.3 REMARK 620 4 HEM A 155 NC 99.0 161.2 89.0 REMARK 620 5 HEM A 155 ND 99.0 85.6 164.7 89.2 REMARK 620 N 1 2 3 4 REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: AC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE SO4 A 154 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC2 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE HEM A 155 DBREF 1MBD A 1 153 UNP P02185 MYG_PHYCA 1 153 SEQRES 1 A 153 VAL LEU SER GLU GLY GLU TRP GLN LEU VAL LEU HIS VAL SEQRES 2 A 153 TRP ALA LYS VAL GLU ALA ASP VAL ALA GLY HIS GLY GLN SEQRES 3 A 153 ASP ILE LEU ILE ARG LEU PHE LYS SER HIS PRO GLU THR SEQRES 4 A 153 LEU GLU LYS PHE ASP ARG PHE LYS HIS LEU LYS THR GLU SEQRES 5 A 153 ALA GLU MET LYS ALA SER GLU ASP LEU LYS LYS HIS GLY SEQRES 6 A 153 VAL THR VAL LEU THR ALA LEU GLY ALA ILE LEU LYS LYS SEQRES 7 A 153 LYS GLY HIS HIS GLU ALA GLU LEU LYS PRO LEU ALA GLN SEQRES 8 A 153 SER HIS ALA THR LYS HIS LYS ILE PRO ILE LYS TYR LEU SEQRES 9 A 153 GLU PHE ILE SER GLU ALA ILE ILE HIS VAL LEU HIS SER SEQRES 10 A 153 ARG HIS PRO GLY ASP PHE GLY ALA ASP ALA GLN GLY ALA SEQRES 11 A 153 MET ASN LYS ALA LEU GLU LEU PHE ARG LYS ASP ILE ALA SEQRES 12 A 153 ALA LYS TYR LYS GLU LEU GLY TYR GLN GLY HET SO4 A 154 5 HET HEM A 155 43 HETNAM SO4 SULFATE ION HETNAM HEM PROTOPORPHYRIN IX CONTAINING FE HETSYN HEM HEME FORMUL 2 SO4 O4 S 2- FORMUL 3 HEM C34 H32 FE N4 O4 FORMUL 4 HOH *388(H2 O) HELIX 1 A SER A 3 GLU A 18 1 16 HELIX 2 B ASP A 20 SER A 35 1 16 HELIX 3 C HIS A 36 LYS A 42 1 7 HELIX 4 D THR A 51 ALA A 57 1 7 HELIX 5 E SER A 58 LYS A 77 1 20 HELIX 6 F LEU A 86 THR A 95 1 10 HELIX 7 G PRO A 100 ARG A 118 1 19 HELIX 8 H GLY A 124 LEU A 149 1 26 LINK FE HEM A 155 NE2 HIS A 93 1555 1555 2.10 SITE 1 AC1 4 SER A 58 GLU A 59 ASP A 60 HOH A 228 SITE 1 AC2 17 THR A 39 LYS A 42 PHE A 43 ARG A 45 SITE 2 AC2 17 LEU A 89 SER A 92 HIS A 93 HIS A 97 SITE 3 AC2 17 ILE A 99 TYR A 103 LEU A 104 HOH A 163 SITE 4 AC2 17 HOH A 218 HOH A 231 HOH A 236 HOH A 271 SITE 5 AC2 17 HOH A 343 CRYST1 64.660 31.120 35.060 90.00 105.78 90.00 P 1 21 1 2 ORIGX1 1.000000 0.000000 0.000000 0.00000 ORIGX2 0.000000 1.000000 0.000000 0.00000 ORIGX3 0.000000 0.000000 1.000000 0.00000 SCALE1 0.015466 0.000000 0.004370 0.00000 SCALE2 0.000000 0.032134 0.000000 0.00000 SCALE3 0.000000 0.000000 0.029640 0.00000 ATOM 1 N VAL A 1 -0.594 14.769 15.940 1.00 44.29 N ATOM 2 CA VAL A 1 0.680 15.504 15.876 1.00 59.11 C ATOM 3 C VAL A 1 1.901 14.554 16.102 1.00 28.92 C ATOM 4 O VAL A 1 1.652 13.346 16.108 1.00 26.62 O ATOM 5 CB VAL A 1 0.151 16.354 17.028 1.00 37.23 C ATOM 6 CG1 VAL A 1 -0.894 17.356 16.424 1.00 41.56 C ATOM 7 CG2 VAL A 1 -0.246 15.587 18.305 1.00 56.01 C ATOM 8 N LEU A 2 3.185 14.985 16.228 1.00 12.18 N ATOM 9 CA LEU A 2 4.215 14.068 16.715 1.00 14.11 C ATOM 10 C LEU A 2 4.029 13.839 18.201 1.00 15.12 C ATOM 11 O LEU A 2 3.809 14.826 18.885 1.00 16.23 O ATOM 12 CB LEU A 2 5.691 14.515 16.387 1.00 6.69 C ATOM 13 CG LEU A 2 6.178 14.170 14.983 1.00 12.34 C ATOM 14 CD1 LEU A 2 5.528 15.150 14.029 1.00 18.55 C ATOM 15 CD2 LEU A 2 7.738 14.331 15.043 1.00 16.06 C ATOM 16 N SER A 3 4.210 12.655 18.607 1.00 12.60 N ATOM 17 CA SER A 3 4.326 12.364 20.081 1.00 12.11 C ATOM 18 C SER A 3 5.713 12.798 20.634 1.00 12.92 C ATOM 19 O SER A 3 6.670 13.159 19.941 1.00 12.21 O ATOM 20 CB SER A 3 4.300 10.852 20.442 1.00 12.84 C ATOM 21 OG SER A 3 5.394 10.111 19.944 1.00 14.04 O ATOM 22 N GLU A 4 5.775 13.038 21.904 1.00 13.92 N ATOM 23 CA GLU A 4 6.969 13.357 22.606 1.00 14.09 C ATOM 24 C GLU A 4 8.020 12.359 22.212 1.00 12.31 C ATOM 25 O GLU A 4 9.234 12.798 22.007 1.00 10.12 O ATOM 26 CB GLU A 4 6.618 13.649 24.075 1.00 18.24 C ATOM 27 CG GLU A 4 7.746 14.177 24.785 1.00 37.70 C ATOM 28 CD GLU A 4 7.509 15.734 24.649 1.00 34.88 C ATOM 29 OE1 GLU A 4 6.464 16.539 24.616 1.00 25.64 O ATOM 30 OE2 GLU A 4 8.488 15.963 24.043 1.00 23.58 O ATOM 31 N GLY A 5 7.753 11.038 22.216 1.00 14.38 N ATOM 32 CA GLY A 5 8.744 10.026 21.855 1.00 14.39 C ATOM 33 C GLY A 5 9.321 10.171 20.451 1.00 13.57 C ATOM 34 O GLY A 5 10.521 10.057 20.197 1.00 14.37 O ATOM 35 N GLU A 6 8.425 10.622 19.514 1.00 11.84 N ATOM 36 CA GLU A 6 8.811 10.896 18.097 1.00 12.34 C ATOM 37 C GLU A 6 9.767 12.068 18.110 1.00 8.71 C ATOM 38 O GLU A 6 10.715 12.131 17.337 1.00 10.72 O ATOM 39 CB GLU A 6 7.560 11.026 17.285 1.00 10.72 C ATOM 40 CG GLU A 6 6.937 9.685 16.875 1.00 11.77 C ATOM 41 CD GLU A 6 5.474 9.793 16.383 1.00 11.39 C ATOM 42 OE1 GLU A 6 5.030 8.863 15.700 1.00 18.80 O ATOM 43 OE2 GLU A 6 4.828 10.823 16.480 1.00 14.31 O ATOM 44 N TRP A 7 9.380 13.120 18.839 1.00 10.31 N ATOM 45 CA TRP A 7 10.206 14.346 18.884 1.00 10.36 C ATOM 46 C TRP A 7 11.612 14.091 19.402 1.00 11.79 C ATOM 47 O TRP A 7 12.594 14.605 18.830 1.00 8.90 O ATOM 48 CB TRP A 7 9.715 15.525 19.556 1.00 6.77 C ATOM 49 CG TRP A 7 8.504 16.188 18.842 1.00 9.12 C ATOM 50 CD1 TRP A 7 7.197 16.375 19.289 1.00 9.15 C ATOM 51 CD2 TRP A 7 8.676 16.948 17.604 1.00 12.01 C ATOM 52 NE1 TRP A 7 6.555 17.159 18.345 1.00 13.84 N ATOM 53 CE2 TRP A 7 7.397 17.500 17.253 1.00 15.00 C ATOM 54 CE3 TRP A 7 9.697 17.262 16.670 1.00 8.77 C ATOM 55 CZ2 TRP A 7 7.176 18.258 16.103 1.00 16.31 C ATOM 56 CZ3 TRP A 7 9.458 17.989 15.475 1.00 11.78 C ATOM 57 CH2 TRP A 7 8.199 18.505 15.162 1.00 18.06 C ATOM 58 N GLN A 8 11.707 13.157 20.370 1.00 11.26 N ATOM 59 CA GLN A 8 13.051 12.853 21.014 1.00 8.84 C ATOM 60 C GLN A 8 13.824 12.154 19.927 1.00 8.22 C ATOM 61 O GLN A 8 15.051 12.377 19.769 1.00 10.53 O ATOM 62 CB GLN A 8 12.727 11.889 22.158 1.00 14.97 C ATOM 63 CG GLN A 8 13.901 11.825 23.249 1.00 31.08 C ATOM 64 CD GLN A 8 13.485 10.841 24.383 1.00 49.43 C ATOM 65 OE1 GLN A 8 12.282 10.872 24.672 1.00 41.13 O ATOM 66 NE2 GLN A 8 13.816 9.600 23.998 1.00 51.96 N ATOM 67 N LEU A 9 13.330 11.202 19.112 1.00 10.91 N ATOM 68 CA LEU A 9 14.025 10.543 18.006 1.00 4.73 C ATOM 69 C LEU A 9 14.550 11.582 17.069 1.00 9.23 C ATOM 70 O LEU A 9 15.657 11.466 16.538 1.00 9.51 O ATOM 71 CB LEU A 9 13.254 9.611 17.278 1.00 10.72 C ATOM 72 CG LEU A 9 12.821 8.311 18.044 1.00 13.12 C ATOM 73 CD1 LEU A 9 11.714 7.563 17.353 1.00 18.48 C ATOM 74 CD2 LEU A 9 13.992 7.338 18.218 1.00 23.90 C ATOM 75 N VAL A 10 13.795 12.548 16.593 1.00 6.25 N ATOM 76 CA VAL A 10 14.139 13.614 15.659 1.00 6.39 C ATOM 77 C VAL A 10 15.253 14.457 16.201 1.00 8.25 C ATOM 78 O VAL A 10 16.293 14.682 15.510 1.00 7.04 O ATOM 79 CB VAL A 10 12.844 14.500 15.340 1.00 7.87 C ATOM 80 CG1 VAL A 10 13.257 15.778 14.553 1.00 9.69 C ATOM 81 CG2 VAL A 10 11.895 13.657 14.538 1.00 9.54 C ATOM 82 N LEU A 11 15.151 14.900 17.418 1.00 5.39 N ATOM 83 CA LEU A 11 16.147 15.762 17.997 1.00 5.54 C ATOM 84 C LEU A 11 17.426 15.123 18.421 1.00 8.24 C ATOM 85 O LEU A 11 18.532 15.754 18.336 1.00 10.78 O ATOM 86 CB LEU A 11 15.552 16.593 19.165 1.00 11.61 C ATOM 87 CG LEU A 11 14.355 17.541 18.641 1.00 7.74 C ATOM 88 CD1 LEU A 11 13.838 18.150 19.880 1.00 15.67 C ATOM 89 CD2 LEU A 11 14.888 18.569 17.660 1.00 8.99 C ATOM 90 N HIS A 12 17.358 13.837 18.626 1.00 10.86 N ATOM 91 CA HIS A 12 18.629 13.040 18.966 1.00 11.98 C ATOM 92 C HIS A 12 19.421 13.000 17.699 1.00 12.92 C ATOM 93 O HIS A 12 20.659 13.257 17.769 1.00 13.89 O ATOM 94 CB HIS A 12 18.171 11.745 19.448 1.00 10.09 C ATOM 95 CG HIS A 12 19.365 10.942 19.922 1.00 28.04 C ATOM 96 ND1 HIS A 12 20.051 11.180 21.173 1.00 25.45 N ATOM 97 CD2 HIS A 12 19.934 9.992 19.171 1.00 22.65 C ATOM 98 CE1 HIS A 12 21.164 10.230 21.073 1.00 31.32 C ATOM 99 NE2 HIS A 12 21.123 9.468 19.834 1.00 20.48 N ATOM 100 N VAL A 13 18.828 12.610 16.560 1.00 13.20 N ATOM 101 CA VAL A 13 19.691 12.639 15.413 1.00 12.75 C ATOM 102 C VAL A 13 20.057 14.067 14.946 1.00 12.36 C ATOM 103 O VAL A 13 21.188 14.310 14.415 1.00 12.68 O ATOM 104 CB VAL A 13 19.071 11.844 14.358 1.00 16.80 C ATOM 105 CG1AVAL A 13 18.421 10.531 14.697 0.50 22.06 C ATOM 106 CG1BVAL A 13 20.260 11.437 13.163 0.50 15.16 C ATOM 107 CG2AVAL A 13 17.865 12.486 13.658 0.50 19.46 C ATOM 108 CG2BVAL A 13 18.421 10.531 14.697 0.50 22.06 C ATOM 109 N TRP A 14 19.223 15.041 15.116 1.00 7.08 N ATOM 110 CA TRP A 14 19.541 16.357 14.645 1.00 7.38 C ATOM 111 C TRP A 14 20.756 16.944 15.447 1.00 10.68 C ATOM 112 O TRP A 14 21.613 17.615 14.903 1.00 10.25 O ATOM 113 CB TRP A 14 18.357 17.339 14.842 1.00 9.88 C ATOM 114 CG TRP A 14 18.652 18.598 14.023 1.00 11.57 C ATOM 115 CD1 TRP A 14 19.146 19.905 14.424 1.00 16.37 C ATOM 116 CD2 TRP A 14 18.559 18.702 12.621 1.00 12.65 C ATOM 117 NE1 TRP A 14 19.303 20.695 13.310 1.00 12.57 N ATOM 118 CE2 TRP A 14 18.985 20.025 12.248 1.00 15.07 C ATOM 119 CE3 TRP A 14 18.203 17.787 11.650 1.00 15.94 C ATOM 120 CZ2 TRP A 14 18.952 20.393 10.908 1.00 18.80 C ATOM 121 CZ3 TRP A 14 18.204 18.211 10.306 1.00 23.49 C ATOM 122 CH2 TRP A 14 18.573 19.524 10.015 1.00 18.29 C ATOM 123 N ALA A 15 20.930 16.535 16.714 1.00 8.34 N ATOM 124 CA ALA A 15 22.093 16.971 17.520 1.00 12.79 C ATOM 125 C ALA A 15 23.342 16.324 16.918 1.00 16.38 C ATOM 126 O ALA A 15 24.383 17.052 17.001 1.00 14.68 O ATOM 127 CB ALA A 15 22.039 16.565 19.066 1.00 12.85 C ATOM 128 N LYS A 16 23.277 15.218 16.194 1.00 13.32 N ATOM 129 CA LYS A 16 24.487 14.670 15.536 1.00 11.46 C ATOM 130 C LYS A 16 24.746 15.468 14.251 1.00 21.28 C ATOM 131 O LYS A 16 25.877 15.754 13.818 1.00 15.80 O ATOM 132 CB LYS A 16 24.228 13.312 15.131 1.00 12.12 C ATOM 133 CG LYS A 16 23.701 12.312 16.108 1.00 23.67 C ATOM 134 CD LYS A 16 24.592 12.039 17.215 1.00 35.61 C ATOM 135 CE LYS A 16 24.372 10.746 18.115 1.00 28.13 C ATOM 136 NZ LYS A 16 25.682 10.488 18.875 1.00 31.08 N ATOM 137 N VAL A 17 23.632 15.903 13.465 1.00 13.46 N ATOM 138 CA VAL A 17 23.802 16.873 12.349 1.00 9.86 C ATOM 139 C VAL A 17 24.551 18.086 12.767 1.00 11.68 C ATOM 140 O VAL A 17 25.408 18.498 11.962 1.00 11.88 O ATOM 141 CB VAL A 17 22.328 17.262 11.771 1.00 7.89 C ATOM 142 CG1 VAL A 17 22.488 18.335 10.756 1.00 13.41 C ATOM 143 CG2 VAL A 17 21.636 15.969 11.195 1.00 10.68 C ATOM 144 N GLU A 18 24.204 18.567 13.904 1.00 10.68 N ATOM 145 CA GLU A 18 24.835 19.811 14.394 1.00 13.42 C ATOM 146 C GLU A 18 26.438 19.719 14.607 1.00 5.24 C ATOM 147 O GLU A 18 26.963 20.828 14.770 1.00 11.94 O ATOM 148 CB GLU A 18 24.052 20.412 15.608 1.00 11.10 C ATOM 149 CG GLU A 18 22.716 21.039 15.145 1.00 14.35 C ATOM 150 CD GLU A 18 21.861 21.740 16.222 1.00 19.60 C ATOM 151 OE1 GLU A 18 21.052 22.564 15.713 1.00 24.57 O ATOM 152 OE2 GLU A 18 22.098 21.412 17.413 1.00 28.04 O ATOM 153 N ALA A 19 26.812 18.496 14.729 1.00 10.44 N ATOM 154 CA ALA A 19 28.325 18.333 14.957 1.00 15.21 C ATOM 155 C ALA A 19 29.053 18.658 13.654 1.00 18.81 C ATOM 156 O ALA A 19 30.307 18.900 13.605 1.00 14.11 O ATOM 157 CB ALA A 19 28.638 16.866 15.216 1.00 15.63 C ATOM 158 N ASP A 20 28.358 18.691 12.474 1.00 8.74 N ATOM 159 CA ASP A 20 28.945 18.970 11.157 1.00 6.10 C ATOM 160 C ASP A 20 27.831 19.592 10.177 1.00 8.42 C ATOM 161 O ASP A 20 27.481 18.949 9.161 1.00 9.26 O ATOM 162 CB ASP A 20 29.680 17.801 10.562 1.00 16.93 C ATOM 163 CG ASP A 20 30.369 18.168 9.212 1.00 14.02 C ATOM 164 OD1 ASP A 20 30.609 17.161 8.464 1.00 24.83 O ATOM 165 OD2 ASP A 20 30.490 19.331 8.901 1.00 11.74 O ATOM 166 N VAL A 21 27.463 20.801 10.567 1.00 10.27 N ATOM 167 CA VAL A 21 26.276 21.390 9.809 1.00 8.47 C ATOM 168 C VAL A 21 26.715 21.564 8.385 1.00 9.81 C ATOM 169 O VAL A 21 25.975 21.243 7.437 1.00 9.16 O ATOM 170 CB VAL A 21 25.841 22.722 10.381 1.00 13.22 C ATOM 171 CG1 VAL A 21 24.701 23.376 9.547 1.00 14.09 C ATOM 172 CG2 VAL A 21 25.184 22.576 11.716 1.00 23.45 C ATOM 173 N ALA A 22 27.948 22.086 8.091 1.00 9.97 N ATOM 174 CA ALA A 22 28.334 22.379 6.724 1.00 12.33 C ATOM 175 C ALA A 22 28.435 21.214 5.887 1.00 10.68 C ATOM 176 O ALA A 22 28.084 21.157 4.723 1.00 12.26 O ATOM 177 CB ALA A 22 29.580 23.163 6.746 1.00 14.22 C ATOM 178 N GLY A 23 29.061 20.090 6.377 1.00 7.70 N ATOM 179 CA GLY A 23 29.171 18.956 5.615 1.00 6.90 C ATOM 180 C GLY A 23 27.817 18.309 5.203 1.00 6.86 C ATOM 181 O GLY A 23 27.638 17.775 4.119 1.00 9.53 O ATOM 182 N HIS A 24 26.979 18.254 6.275 1.00 8.67 N ATOM 183 CA HIS A 24 25.590 17.767 5.928 1.00 11.48 C ATOM 184 C HIS A 24 24.809 18.685 4.955 1.00 5.40 C ATOM 185 O HIS A 24 24.166 18.098 4.032 1.00 6.18 O ATOM 186 CB HIS A 24 24.724 17.791 7.245 1.00 9.67 C ATOM 187 CG HIS A 24 24.985 16.603 8.158 1.00 11.00 C ATOM 188 ND1 HIS A 24 26.130 16.731 9.039 1.00 7.89 N ATOM 189 CD2 HIS A 24 24.381 15.420 8.357 1.00 10.61 C ATOM 190 CE1 HIS A 24 26.113 15.595 9.778 1.00 9.79 C ATOM 191 NE2 HIS A 24 25.084 14.736 9.408 1.00 11.84 N ATOM 192 N GLY A 25 25.023 19.916 5.097 1.00 6.30 N ATOM 193 CA GLY A 25 24.360 20.916 4.111 1.00 8.63 C ATOM 194 C GLY A 25 24.797 20.660 2.677 1.00 10.67 C ATOM 195 O GLY A 25 24.065 20.614 1.676 1.00 9.63 O ATOM 196 N GLN A 26 26.139 20.443 2.496 1.00 9.50 N ATOM 197 CA GLN A 26 26.708 20.174 1.205 1.00 8.41 C ATOM 198 C GLN A 26 26.195 18.888 0.624 1.00 7.74 C ATOM 199 O GLN A 26 25.789 18.833 -0.580 1.00 10.04 O ATOM 200 CB GLN A 26 28.269 20.018 1.265 1.00 16.20 C ATOM 201 CG GLN A 26 29.042 21.171 1.427 1.00 32.72 C ATOM 202 CD GLN A 26 30.518 20.833 0.995 1.00 30.44 C ATOM 203 OE1 GLN A 26 31.351 21.656 1.181 1.00 48.28 O ATOM 204 NE2 GLN A 26 30.931 20.680 -0.205 1.00 32.58 N ATOM 205 N ASP A 27 26.189 17.823 1.375 1.00 6.74 N ATOM 206 CA ASP A 27 25.781 16.595 0.872 1.00 8.07 C ATOM 207 C ASP A 27 24.222 16.678 0.452 1.00 8.95 C ATOM 208 O ASP A 27 23.830 16.093 -0.552 1.00 8.15 O ATOM 209 CB ASP A 27 25.902 15.461 1.997 1.00 10.29 C ATOM 210 CG ASP A 27 27.398 14.930 2.278 1.00 24.34 C ATOM 211 OD1 ASP A 27 28.245 15.450 1.511 1.00 13.42 O ATOM 212 OD2 ASP A 27 27.469 14.181 3.276 1.00 17.45 O ATOM 213 N ILE A 28 23.478 17.360 1.316 1.00 6.35 N ATOM 214 CA ILE A 28 21.961 17.469 1.073 1.00 5.22 C ATOM 215 C ILE A 28 21.654 18.217 -0.261 1.00 4.86 C ATOM 216 O ILE A 28 20.967 17.744 -1.131 1.00 6.33 O ATOM 217 CB ILE A 28 21.193 17.994 2.218 1.00 4.69 C ATOM 218 CG1 ILE A 28 21.356 17.011 3.286 1.00 7.79 C ATOM 219 CG2 ILE A 28 19.799 18.469 1.845 1.00 4.79 C ATOM 220 CD1 ILE A 28 20.901 17.567 4.655 1.00 8.65 C ATOM 221 N LEU A 29 22.339 19.357 -0.390 1.00 6.42 N ATOM 222 CA LEU A 29 22.159 20.183 -1.630 1.00 6.35 C ATOM 223 C LEU A 29 22.663 19.557 -2.920 1.00 6.18 C ATOM 224 O LEU A 29 22.040 19.529 -3.979 1.00 6.92 O ATOM 225 CB LEU A 29 22.676 21.616 -1.455 1.00 7.53 C ATOM 226 CG LEU A 29 22.015 22.551 -0.442 1.00 5.00 C ATOM 227 CD1 LEU A 29 22.768 23.796 -0.215 1.00 11.28 C ATOM 228 CD2 LEU A 29 20.571 22.784 -0.830 1.00 12.41 C ATOM 229 N ILE A 30 23.793 18.844 -2.836 1.00 7.75 N ATOM 230 CA ILE A 30 24.361 18.089 -3.969 1.00 8.69 C ATOM 231 C ILE A 30 23.330 16.958 -4.360 1.00 7.90 C ATOM 232 O ILE A 30 23.106 16.781 -5.572 1.00 7.19 O ATOM 233 CB ILE A 30 25.829 17.607 -3.724 1.00 13.33 C ATOM 234 CG1 ILE A 30 26.727 18.880 -3.584 1.00 16.85 C ATOM 235 CG2 ILE A 30 26.200 16.820 -4.995 1.00 17.08 C ATOM 236 CD1 ILE A 30 28.184 18.460 -3.242 1.00 15.16 C ATOM 237 N ARG A 31 22.935 16.234 -3.335 1.00 7.24 N ATOM 238 CA ARG A 31 21.960 15.198 -3.668 1.00 7.69 C ATOM 239 C ARG A 31 20.756 15.786 -4.373 1.00 8.76 C ATOM 240 O ARG A 31 20.177 15.182 -5.327 1.00 9.56 O ATOM 241 CB ARG A 31 21.529 14.544 -2.349 1.00 9.35 C ATOM 242 CG ARG A 31 20.378 13.524 -2.528 1.00 15.77 C ATOM 243 CD ARG A 31 20.808 12.317 -3.340 1.00 21.79 C ATOM 244 NE ARG A 31 19.635 11.387 -2.928 1.00 33.39 N ATOM 245 CZ ARG A 31 19.473 10.120 -3.293 1.00 53.27 C ATOM 246 NH1 ARG A 31 20.599 9.572 -3.658 1.00 39.06 N ATOM 247 NH2 ARG A 31 18.263 9.470 -3.260 1.00 42.31 N ATOM 248 N LEU A 32 20.172 16.828 -3.862 1.00 9.75 N ATOM 249 CA LEU A 32 18.994 17.500 -4.468 1.00 7.22 C ATOM 250 C LEU A 32 19.322 17.864 -5.897 1.00 6.89 C ATOM 251 O LEU A 32 18.547 17.618 -6.802 1.00 11.05 O ATOM 252 CB LEU A 32 18.718 18.744 -3.638 1.00 6.83 C ATOM 253 CG LEU A 32 17.510 19.584 -4.142 1.00 8.83 C ATOM 254 CD1 LEU A 32 16.178 18.839 -4.098 1.00 9.11 C ATOM 255 CD2 LEU A 32 17.382 20.930 -3.541 1.00 13.59 C ATOM 256 N PHE A 33 20.439 18.584 -6.175 1.00 5.73 N ATOM 257 CA PHE A 33 20.714 19.029 -7.476 1.00 4.65 C ATOM 258 C PHE A 33 20.971 17.893 -8.503 1.00 6.63 C ATOM 259 O PHE A 33 20.679 18.079 -9.692 1.00 10.57 O ATOM 260 CB PHE A 33 21.872 19.981 -7.486 1.00 11.75 C ATOM 261 CG PHE A 33 21.692 21.299 -6.673 1.00 8.09 C ATOM 262 CD1 PHE A 33 20.434 21.872 -6.465 1.00 8.01 C ATOM 263 CD2 PHE A 33 22.747 21.973 -6.095 1.00 9.56 C ATOM 264 CE1 PHE A 33 20.290 22.981 -5.728 1.00 10.07 C ATOM 265 CE2 PHE A 33 22.606 23.128 -5.360 1.00 7.74 C ATOM 266 CZ PHE A 33 21.367 23.627 -5.168 1.00 10.48 C ATOM 267 N LYS A 34 21.584 16.843 -8.092 1.00 7.46 N ATOM 268 CA LYS A 34 21.927 15.758 -8.981 1.00 7.03 C ATOM 269 C LYS A 34 20.679 14.873 -9.209 1.00 10.43 C ATOM 270 O LYS A 34 20.468 14.499 -10.408 1.00 15.41 O ATOM 271 CB LYS A 34 22.979 14.897 -8.355 1.00 13.61 C ATOM 272 CG LYS A 34 24.388 15.627 -8.488 1.00 13.66 C ATOM 273 CD LYS A 34 25.519 14.699 -8.943 1.00 49.26 C ATOM 274 CE LYS A 34 25.606 14.609 -10.512 1.00 61.01 C ATOM 275 NZ LYS A 34 26.493 13.476 -10.861 1.00 65.12 N ATOM 276 N SER A 35 19.875 14.731 -8.173 1.00 9.28 N ATOM 277 CA SER A 35 18.667 13.874 -8.391 1.00 7.15 C ATOM 278 C SER A 35 17.559 14.556 -9.133 1.00 13.51 C ATOM 279 O SER A 35 16.661 13.940 -9.785 1.00 9.48 O ATOM 280 CB SER A 35 18.104 13.453 -7.047 1.00 11.05 C ATOM 281 OG SER A 35 19.013 12.598 -6.306 1.00 20.39 O ATOM 282 N HIS A 36 17.482 15.898 -8.974 1.00 9.23 N ATOM 283 CA HIS A 36 16.392 16.778 -9.496 1.00 12.64 C ATOM 284 C HIS A 36 17.060 18.065 -10.019 1.00 7.22 C ATOM 285 O HIS A 36 16.912 19.202 -9.504 1.00 8.27 O ATOM 286 CB HIS A 36 15.317 17.161 -8.425 1.00 9.27 C ATOM 287 CG HIS A 36 14.868 15.960 -7.655 1.00 7.16 C ATOM 288 ND1 HIS A 36 13.891 15.113 -8.226 1.00 12.45 N ATOM 289 CD2 HIS A 36 15.274 15.446 -6.460 1.00 13.04 C ATOM 290 CE1 HIS A 36 13.728 14.211 -7.279 1.00 14.20 C ATOM 291 NE2 HIS A 36 14.478 14.316 -6.217 1.00 15.13 N ATOM 292 N PRO A 37 17.552 17.963 -11.272 1.00 8.57 N ATOM 293 CA PRO A 37 18.298 19.027 -11.844 1.00 10.50 C ATOM 294 C PRO A 37 17.535 20.330 -11.998 1.00 10.18 C ATOM 295 O PRO A 37 18.114 21.432 -11.988 1.00 12.81 O ATOM 296 CB PRO A 37 18.859 18.518 -13.228 1.00 14.02 C ATOM 297 CG PRO A 37 18.865 17.023 -13.048 1.00 13.69 C ATOM 298 CD PRO A 37 17.742 16.739 -12.124 1.00 11.44 C ATOM 299 N GLU A 38 16.198 20.184 -12.232 1.00 9.75 N ATOM 300 CA GLU A 38 15.415 21.394 -12.273 1.00 11.26 C ATOM 301 C GLU A 38 15.579 22.299 -11.058 1.00 13.34 C ATOM 302 O GLU A 38 15.295 23.535 -11.200 1.00 13.47 O ATOM 303 CB GLU A 38 13.898 21.104 -12.581 1.00 8.57 C ATOM 304 CG GLU A 38 13.166 20.346 -11.416 1.00 10.62 C ATOM 305 CD GLU A 38 13.247 18.900 -11.332 1.00 8.72 C ATOM 306 OE1 GLU A 38 12.325 18.137 -10.939 1.00 10.26 O ATOM 307 OE2 GLU A 38 14.346 18.273 -11.685 1.00 8.92 O ATOM 308 N THR A 39 15.798 21.748 -9.828 1.00 10.73 N ATOM 309 CA THR A 39 16.015 22.601 -8.739 1.00 9.62 C ATOM 310 C THR A 39 17.160 23.532 -8.727 1.00 8.79 C ATOM 311 O THR A 39 17.023 24.667 -8.225 1.00 10.80 O ATOM 312 CB THR A 39 16.044 21.734 -7.538 1.00 9.62 C ATOM 313 OG1 THR A 39 17.228 20.885 -7.436 1.00 9.24 O ATOM 314 CG2 THR A 39 14.859 20.743 -7.265 1.00 10.90 C ATOM 315 N LEU A 40 18.218 23.112 -9.427 1.00 9.12 N ATOM 316 CA LEU A 40 19.277 24.048 -9.531 1.00 9.90 C ATOM 317 C LEU A 40 19.045 25.275 -10.309 1.00 11.10 C ATOM 318 O LEU A 40 19.539 26.369 -9.957 1.00 12.57 O ATOM 319 CB LEU A 40 20.481 23.184 -10.169 1.00 14.99 C ATOM 320 CG LEU A 40 21.847 23.948 -10.356 1.00 18.17 C ATOM 321 CD1 LEU A 40 22.301 24.639 -9.062 1.00 12.58 C ATOM 322 CD2 LEU A 40 22.800 22.998 -11.101 1.00 16.22 C ATOM 323 N GLU A 41 18.098 25.233 -11.220 1.00 9.82 N ATOM 324 CA GLU A 41 17.803 26.393 -11.995 1.00 13.49 C ATOM 325 C GLU A 41 17.097 27.485 -11.261 1.00 11.06 C ATOM 326 O GLU A 41 16.943 28.686 -11.611 1.00 19.45 O ATOM 327 CB GLU A 41 17.060 25.889 -13.295 1.00 15.87 C ATOM 328 CG GLU A 41 17.088 26.625 -14.659 1.00 24.47 C ATOM 329 CD GLU A 41 18.518 26.430 -15.022 1.00 19.06 C ATOM 330 OE1 GLU A 41 19.219 25.462 -14.682 1.00 37.60 O ATOM 331 OE2 GLU A 41 18.878 27.261 -15.734 1.00 38.43 O ATOM 332 N LYS A 42 16.504 27.181 -9.994 1.00 9.13 N ATOM 333 CA LYS A 42 16.027 28.189 -9.145 1.00 10.11 C ATOM 334 C LYS A 42 16.981 29.245 -8.530 1.00 12.95 C ATOM 335 O LYS A 42 16.722 30.106 -7.747 1.00 10.52 O ATOM 336 CB LYS A 42 15.216 27.541 -8.019 1.00 15.20 C ATOM 337 CG LYS A 42 13.843 26.940 -8.495 1.00 15.39 C ATOM 338 CD LYS A 42 12.752 27.931 -8.876 1.00 15.71 C ATOM 339 CE LYS A 42 11.577 27.349 -9.663 1.00 24.77 C ATOM 340 NZ LYS A 42 10.579 28.521 -9.749 1.00 20.06 N ATOM 341 N PHE A 43 18.311 28.709 -8.580 1.00 11.69 N ATOM 342 CA PHE A 43 19.403 29.427 -7.925 1.00 10.56 C ATOM 343 C PHE A 43 20.310 30.146 -8.974 1.00 9.98 C ATOM 344 O PHE A 43 21.303 29.558 -9.488 1.00 8.43 O ATOM 345 CB PHE A 43 20.282 28.392 -7.210 1.00 10.21 C ATOM 346 CG PHE A 43 19.638 27.787 -5.947 1.00 8.63 C ATOM 347 CD1 PHE A 43 19.694 28.356 -4.701 1.00 8.00 C ATOM 348 CD2 PHE A 43 18.908 26.563 -6.035 1.00 10.71 C ATOM 349 CE1 PHE A 43 19.119 27.819 -3.571 1.00 7.79 C ATOM 350 CE2 PHE A 43 18.337 25.971 -4.873 1.00 8.89 C ATOM 351 CZ PHE A 43 18.464 26.627 -3.689 1.00 8.34 C ATOM 352 N ASP A 44 20.026 31.468 -9.079 1.00 12.94 N ATOM 353 CA ASP A 44 20.956 32.253 -9.895 1.00 15.68 C ATOM 354 C ASP A 44 22.374 32.173 -9.258 1.00 15.69 C ATOM 355 O ASP A 44 23.354 32.223 -10.061 1.00 16.90 O ATOM 356 CB ASP A 44 20.433 33.721 -10.029 1.00 21.31 C ATOM 357 CG ASP A 44 19.146 33.691 -10.896 1.00 31.02 C ATOM 358 OD1 ASP A 44 19.134 33.137 -12.004 1.00 37.60 O ATOM 359 OD2 ASP A 44 18.329 34.589 -10.599 1.00 40.99 O ATOM 360 N ARG A 45 22.447 31.999 -7.956 1.00 13.25 N ATOM 361 CA ARG A 45 23.727 31.976 -7.362 1.00 12.07 C ATOM 362 C ARG A 45 24.627 30.777 -7.715 1.00 12.92 C ATOM 363 O ARG A 45 25.872 30.659 -7.492 1.00 11.15 O ATOM 364 CB ARG A 45 23.258 31.855 -5.991 1.00 21.38 C ATOM 365 CG ARG A 45 24.134 31.918 -4.952 1.00 19.73 C ATOM 366 CD ARG A 45 23.527 32.551 -3.612 1.00 15.79 C ATOM 367 NE ARG A 45 24.472 32.268 -2.583 1.00 15.17 N ATOM 368 CZ ARG A 45 24.264 32.279 -1.298 1.00 13.22 C ATOM 369 NH1 ARG A 45 22.988 32.441 -0.751 1.00 18.43 N ATOM 370 NH2 ARG A 45 25.088 31.678 -0.339 1.00 18.14 N ATOM 371 N PHE A 46 24.015 29.618 -8.041 1.00 9.18 N ATOM 372 CA PHE A 46 24.618 28.281 -8.163 1.00 12.02 C ATOM 373 C PHE A 46 24.478 27.749 -9.560 1.00 10.33 C ATOM 374 O PHE A 46 24.956 26.658 -9.874 1.00 10.75 O ATOM 375 CB PHE A 46 24.054 27.204 -7.202 1.00 10.28 C ATOM 376 CG PHE A 46 24.227 27.734 -5.809 1.00 7.47 C ATOM 377 CD1 PHE A 46 25.484 28.188 -5.377 1.00 8.92 C ATOM 378 CD2 PHE A 46 23.214 27.737 -4.788 1.00 12.11 C ATOM 379 CE1 PHE A 46 25.674 28.679 -4.075 1.00 11.94 C ATOM 380 CE2 PHE A 46 23.454 28.243 -3.462 1.00 11.65 C ATOM 381 CZ PHE A 46 24.682 28.715 -3.130 1.00 12.88 C ATOM 382 N LYS A 47 23.668 28.291 -10.471 1.00 9.70 N ATOM 383 CA LYS A 47 23.416 27.663 -11.769 1.00 15.28 C ATOM 384 C LYS A 47 24.638 27.511 -12.714 1.00 14.72 C ATOM 385 O LYS A 47 24.437 26.706 -13.714 1.00 16.11 O ATOM 386 CB LYS A 47 22.061 28.144 -12.321 1.00 19.53 C ATOM 387 CG LYS A 47 22.221 29.551 -12.669 1.00 22.08 C ATOM 388 CD LYS A 47 20.732 30.049 -13.100 1.00 31.67 C ATOM 389 CE LYS A 47 21.074 31.228 -13.853 1.00 35.34 C ATOM 390 NZ LYS A 47 19.908 32.076 -14.254 1.00 59.64 N ATOM 391 N HIS A 48 25.755 28.101 -12.384 1.00 8.71 N ATOM 392 CA HIS A 48 26.887 27.886 -13.188 1.00 7.78 C ATOM 393 C HIS A 48 27.564 26.520 -12.951 1.00 12.75 C ATOM 394 O HIS A 48 28.593 26.144 -13.514 1.00 16.05 O ATOM 395 CB HIS A 48 27.867 28.996 -12.934 1.00 9.97 C ATOM 396 CG HIS A 48 28.366 29.103 -11.512 1.00 11.37 C ATOM 397 ND1 HIS A 48 27.611 29.592 -10.524 1.00 11.39 N ATOM 398 CD2 HIS A 48 29.568 28.705 -10.945 1.00 12.20 C ATOM 399 CE1 HIS A 48 28.316 29.454 -9.400 1.00 12.47 C ATOM 400 NE2 HIS A 48 29.481 28.984 -9.558 1.00 11.89 N ATOM 401 N LEU A 49 27.281 25.838 -11.817 1.00 11.40 N ATOM 402 CA LEU A 49 27.969 24.534 -11.393 1.00 9.51 C ATOM 403 C LEU A 49 27.368 23.425 -12.228 1.00 14.13 C ATOM 404 O LEU A 49 26.164 23.310 -12.294 1.00 14.88 O ATOM 405 CB LEU A 49 27.609 24.334 -9.937 1.00 7.78 C ATOM 406 CG LEU A 49 28.122 25.382 -8.987 1.00 8.52 C ATOM 407 CD1 LEU A 49 27.628 25.273 -7.623 1.00 11.24 C ATOM 408 CD2 LEU A 49 29.689 25.450 -9.015 1.00 9.05 C ATOM 409 N LYS A 50 28.275 22.678 -12.748 1.00 12.45 N ATOM 410 CA LYS A 50 27.731 21.626 -13.659 1.00 18.03 C ATOM 411 C LYS A 50 28.114 20.236 -13.027 1.00 15.42 C ATOM 412 O LYS A 50 27.272 19.296 -12.987 1.00 23.25 O ATOM 413 CB LYS A 50 28.339 21.780 -15.035 1.00 20.86 C ATOM 414 CG LYS A 50 28.035 23.113 -15.759 1.00 42.64 C ATOM 415 CD LYS A 50 27.785 22.791 -17.178 1.00 41.94 C ATOM 416 CE LYS A 50 27.728 24.023 -18.089 1.00 46.39 C ATOM 417 NZ LYS A 50 26.794 25.069 -17.757 1.00 51.26 N ATOM 418 N THR A 51 29.294 20.023 -12.518 1.00 7.90 N ATOM 419 CA THR A 51 29.703 18.734 -12.118 1.00 7.30 C ATOM 420 C THR A 51 29.625 18.583 -10.604 1.00 6.59 C ATOM 421 O THR A 51 29.629 19.581 -9.891 1.00 7.84 O ATOM 422 CB THR A 51 31.059 18.434 -12.563 1.00 9.20 C ATOM 423 OG1 THR A 51 32.064 19.189 -11.775 1.00 9.85 O ATOM 424 CG2 THR A 51 31.193 18.582 -14.020 1.00 12.71 C ATOM 425 N GLU A 52 29.563 17.356 -10.081 1.00 7.37 N ATOM 426 CA GLU A 52 29.574 17.123 -8.659 1.00 7.10 C ATOM 427 C GLU A 52 30.848 17.717 -7.978 1.00 7.35 C ATOM 428 O GLU A 52 30.800 18.326 -6.885 1.00 6.77 O ATOM 429 CB GLU A 52 29.447 15.612 -8.344 1.00 8.66 C ATOM 430 CG GLU A 52 29.431 15.334 -6.902 1.00 9.85 C ATOM 431 CD GLU A 52 28.960 13.959 -6.475 1.00 14.20 C ATOM 432 OE1 GLU A 52 28.913 13.789 -5.268 1.00 14.39 O ATOM 433 OE2 GLU A 52 28.806 13.254 -7.452 1.00 17.73 O ATOM 434 N ALA A 53 32.030 17.523 -8.657 1.00 9.04 N ATOM 435 CA ALA A 53 33.311 18.167 -8.047 1.00 4.85 C ATOM 436 C ALA A 53 33.231 19.610 -8.019 1.00 6.37 C ATOM 437 O ALA A 53 33.678 20.174 -7.011 1.00 10.48 O ATOM 438 CB ALA A 53 34.439 17.758 -9.044 1.00 12.25 C ATOM 439 N GLU A 54 32.698 20.274 -9.042 1.00 4.70 N ATOM 440 CA GLU A 54 32.518 21.742 -8.957 1.00 4.40 C ATOM 441 C GLU A 54 31.580 22.089 -7.780 1.00 9.04 C ATOM 442 O GLU A 54 31.858 23.028 -7.054 1.00 6.57 O ATOM 443 CB GLU A 54 31.943 22.282 -10.247 1.00 6.70 C ATOM 444 CG GLU A 54 32.960 22.266 -11.321 1.00 9.70 C ATOM 445 CD GLU A 54 32.287 22.694 -12.616 1.00 17.95 C ATOM 446 OE1 GLU A 54 33.025 22.533 -13.603 1.00 21.62 O ATOM 447 OE2 GLU A 54 31.039 22.691 -12.843 1.00 13.42 O ATOM 448 N MET A 55 30.455 21.333 -7.644 1.00 6.29 N ATOM 449 CA MET A 55 29.619 21.649 -6.458 1.00 4.80 C ATOM 450 C MET A 55 30.303 21.530 -5.083 1.00 6.63 C ATOM 451 O MET A 55 30.135 22.313 -4.133 1.00 7.39 O ATOM 452 CB MET A 55 28.435 20.636 -6.493 1.00 9.39 C ATOM 453 CG MET A 55 27.503 21.074 -7.606 1.00 8.86 C ATOM 454 SD MET A 55 26.132 19.804 -7.796 1.00 11.28 S ATOM 455 CE MET A 55 25.492 20.250 -9.428 1.00 16.52 C ATOM 456 N LYS A 56 31.076 20.401 -4.914 1.00 7.40 N ATOM 457 CA LYS A 56 31.835 20.160 -3.696 1.00 9.68 C ATOM 458 C LYS A 56 32.880 21.286 -3.426 1.00 8.81 C ATOM 459 O LYS A 56 33.186 21.438 -2.239 1.00 13.08 O ATOM 460 CB LYS A 56 32.517 18.809 -3.781 1.00 14.11 C ATOM 461 CG LYS A 56 31.523 17.638 -3.662 1.00 22.19 C ATOM 462 CD LYS A 56 32.213 16.344 -3.379 1.00 38.93 C ATOM 463 CE LYS A 56 31.108 15.454 -2.942 1.00 36.95 C ATOM 464 NZ LYS A 56 31.280 14.729 -1.676 1.00 47.84 N ATOM 465 N ALA A 57 33.420 21.864 -4.511 1.00 5.72 N ATOM 466 CA ALA A 57 34.501 22.836 -4.269 1.00 8.67 C ATOM 467 C ALA A 57 33.896 24.205 -4.021 1.00 9.39 C ATOM 468 O ALA A 57 34.682 25.123 -3.651 1.00 9.71 O ATOM 469 CB ALA A 57 35.306 22.950 -5.527 1.00 9.00 C ATOM 470 N SER A 58 32.603 24.507 -4.172 1.00 6.47 N ATOM 471 CA SER A 58 32.099 25.833 -3.965 1.00 7.30 C ATOM 472 C SER A 58 31.819 26.139 -2.470 1.00 7.51 C ATOM 473 O SER A 58 31.056 25.551 -1.702 1.00 8.92 O ATOM 474 CB SER A 58 30.756 25.894 -4.680 1.00 8.02 C ATOM 475 OG SER A 58 30.103 27.190 -4.424 1.00 9.33 O ATOM 476 N GLU A 59 32.597 27.158 -2.073 1.00 9.04 N ATOM 477 CA GLU A 59 32.445 27.626 -0.686 1.00 5.85 C ATOM 478 C GLU A 59 31.028 28.268 -0.502 1.00 7.26 C ATOM 479 O GLU A 59 30.439 28.175 0.558 1.00 7.53 O ATOM 480 CB GLU A 59 33.618 28.569 -0.263 1.00 8.68 C ATOM 481 CG GLU A 59 33.700 28.843 1.237 1.00 11.50 C ATOM 482 CD GLU A 59 34.071 27.646 2.109 1.00 13.04 C ATOM 483 OE1 GLU A 59 33.798 27.829 3.273 1.00 17.26 O ATOM 484 OE2 GLU A 59 34.320 26.574 1.612 1.00 12.22 O ATOM 485 N ASP A 60 30.620 28.993 -1.463 1.00 6.79 N ATOM 486 CA ASP A 60 29.282 29.739 -1.318 1.00 7.22 C ATOM 487 C ASP A 60 28.210 28.602 -1.166 1.00 6.19 C ATOM 488 O ASP A 60 27.162 28.933 -0.529 1.00 9.03 O ATOM 489 CB ASP A 60 29.098 30.610 -2.530 1.00 5.71 C ATOM 490 CG ASP A 60 28.002 31.686 -2.338 1.00 8.95 C ATOM 491 OD1 ASP A 60 27.180 31.710 -3.217 1.00 10.61 O ATOM 492 OD2 ASP A 60 28.140 32.357 -1.253 1.00 11.82 O ATOM 493 N LEU A 61 28.314 27.569 -1.939 1.00 5.13 N ATOM 494 CA LEU A 61 27.237 26.547 -1.842 1.00 6.85 C ATOM 495 C LEU A 61 27.189 25.995 -0.417 1.00 7.48 C ATOM 496 O LEU A 61 26.178 25.732 0.250 1.00 6.97 O ATOM 497 CB LEU A 61 27.471 25.408 -2.751 1.00 6.09 C ATOM 498 CG LEU A 61 26.459 24.293 -2.914 1.00 6.69 C ATOM 499 CD1 LEU A 61 25.120 24.938 -3.141 1.00 18.72 C ATOM 500 CD2 LEU A 61 26.630 23.337 -4.050 1.00 14.41 C ATOM 501 N LYS A 62 28.418 25.711 0.156 1.00 7.30 N ATOM 502 CA LYS A 62 28.439 25.233 1.497 1.00 8.04 C ATOM 503 C LYS A 62 27.899 26.245 2.468 1.00 8.12 C ATOM 504 O LYS A 62 27.230 25.920 3.467 1.00 9.56 O ATOM 505 CB LYS A 62 30.007 24.950 1.868 1.00 10.82 C ATOM 506 CG LYS A 62 30.314 24.346 3.166 1.00 13.39 C ATOM 507 CD LYS A 62 31.837 23.900 2.956 1.00 17.30 C ATOM 508 CE LYS A 62 32.183 23.345 4.322 1.00 27.47 C ATOM 509 NZ LYS A 62 33.582 22.995 4.172 1.00 31.00 N ATOM 510 N LYS A 63 28.112 27.564 2.248 1.00 7.46 N ATOM 511 CA LYS A 63 27.430 28.578 3.066 1.00 8.34 C ATOM 512 C LYS A 63 25.898 28.501 3.036 1.00 10.81 C ATOM 513 O LYS A 63 25.277 28.689 4.129 1.00 9.06 O ATOM 514 CB LYS A 63 27.995 29.978 2.611 1.00 10.45 C ATOM 515 CG LYS A 63 27.608 31.241 3.289 1.00 28.23 C ATOM 516 CD LYS A 63 29.059 32.001 2.977 1.00 34.66 C ATOM 517 CE LYS A 63 29.100 33.356 3.632 1.00 36.78 C ATOM 518 NZ LYS A 63 29.635 34.134 2.491 1.00 26.42 N ATOM 519 N HIS A 64 25.356 28.314 1.842 1.00 8.45 N ATOM 520 CA HIS A 64 23.853 28.281 1.749 1.00 9.00 C ATOM 521 C HIS A 64 23.391 27.014 2.380 1.00 10.57 C ATOM 522 O HIS A 64 22.372 27.051 3.063 1.00 8.46 O ATOM 523 CB HIS A 64 23.443 28.259 0.286 1.00 10.70 C ATOM 524 CG HIS A 64 21.912 28.349 0.217 1.00 10.04 C ATOM 525 ND1 HIS A 64 21.239 29.408 0.720 1.00 15.04 N ATOM 526 CD2 HIS A 64 21.173 27.300 -0.267 1.00 22.59 C ATOM 527 CE1 HIS A 64 19.988 28.872 0.461 1.00 10.84 C ATOM 528 NE2 HIS A 64 19.782 27.654 -0.107 1.00 19.79 N ATOM 529 N GLY A 65 24.158 25.895 2.351 1.00 6.32 N ATOM 530 CA GLY A 65 23.748 24.717 3.092 1.00 5.61 C ATOM 531 C GLY A 65 23.598 24.972 4.578 1.00 8.38 C ATOM 532 O GLY A 65 22.686 24.460 5.270 1.00 6.18 O ATOM 533 N VAL A 66 24.537 25.698 5.154 1.00 6.47 N ATOM 534 CA VAL A 66 24.428 26.117 6.569 1.00 5.89 C ATOM 535 C VAL A 66 23.182 26.980 6.818 1.00 4.81 C ATOM 536 O VAL A 66 22.551 26.764 7.900 1.00 6.68 O ATOM 537 CB VAL A 66 25.753 26.799 7.062 1.00 9.85 C ATOM 538 CG1 VAL A 66 25.643 27.428 8.430 1.00 12.41 C ATOM 539 CG2 VAL A 66 26.884 25.880 6.899 1.00 9.77 C ATOM 540 N THR A 67 22.916 27.936 5.939 1.00 4.86 N ATOM 541 CA THR A 67 21.723 28.835 6.044 1.00 5.03 C ATOM 542 C THR A 67 20.522 27.816 6.273 1.00 7.96 C ATOM 543 O THR A 67 19.598 28.127 7.031 1.00 8.92 O ATOM 544 CB THR A 67 21.619 29.724 4.861 1.00 6.40 C ATOM 545 OG1 THR A 67 22.744 30.649 4.983 1.00 11.91 O ATOM 546 CG2 THR A 67 20.289 30.606 4.882 1.00 12.83 C ATOM 547 N VAL A 68 20.379 27.003 5.294 1.00 7.30 N ATOM 548 CA VAL A 68 19.188 26.042 5.204 1.00 4.51 C ATOM 549 C VAL A 68 19.096 25.296 6.378 1.00 4.76 C ATOM 550 O VAL A 68 18.089 25.177 7.063 1.00 6.91 O ATOM 551 CB VAL A 68 19.240 25.238 3.947 1.00 7.13 C ATOM 552 CG1 VAL A 68 18.106 24.105 3.932 1.00 8.16 C ATOM 553 CG2 VAL A 68 19.173 26.071 2.720 1.00 8.01 C ATOM 554 N LEU A 69 20.146 24.578 6.842 1.00 7.88 N ATOM 555 CA LEU A 69 20.083 23.630 7.977 1.00 4.43 C ATOM 556 C LEU A 69 19.818 24.398 9.260 1.00 6.35 C ATOM 557 O LEU A 69 19.195 23.827 10.164 1.00 9.21 O ATOM 558 CB LEU A 69 21.166 22.635 8.070 1.00 5.83 C ATOM 559 CG LEU A 69 21.246 21.701 6.974 1.00 8.83 C ATOM 560 CD1 LEU A 69 22.284 20.639 7.172 1.00 13.74 C ATOM 561 CD2 LEU A 69 19.954 21.017 6.658 1.00 14.21 C ATOM 562 N THR A 70 20.426 25.527 9.414 1.00 7.77 N ATOM 563 CA THR A 70 20.252 26.375 10.636 1.00 9.47 C ATOM 564 C THR A 70 18.764 26.825 10.827 1.00 8.84 C ATOM 565 O THR A 70 18.199 26.625 11.948 1.00 8.96 O ATOM 566 CB THR A 70 21.164 27.647 10.579 1.00 10.13 C ATOM 567 OG1 THR A 70 22.557 27.170 10.623 1.00 16.76 O ATOM 568 CG2 THR A 70 20.804 28.491 11.832 1.00 13.72 C ATOM 569 N ALA A 71 18.127 27.162 9.719 1.00 6.78 N ATOM 570 CA ALA A 71 16.647 27.519 9.795 1.00 4.38 C ATOM 571 C ALA A 71 15.857 26.280 10.064 1.00 7.58 C ATOM 572 O ALA A 71 14.957 26.331 10.960 1.00 9.24 O ATOM 573 CB ALA A 71 16.302 28.129 8.498 1.00 7.97 C ATOM 574 N LEU A 72 16.150 25.113 9.421 1.00 5.77 N ATOM 575 CA LEU A 72 15.450 23.868 9.657 1.00 4.79 C ATOM 576 C LEU A 72 15.601 23.491 11.091 1.00 5.52 C ATOM 577 O LEU A 72 14.656 23.034 11.786 1.00 7.93 O ATOM 578 CB LEU A 72 15.845 22.824 8.666 1.00 6.93 C ATOM 579 CG LEU A 72 15.032 21.530 8.785 1.00 8.73 C ATOM 580 CD1 LEU A 72 13.507 21.746 8.662 1.00 10.22 C ATOM 581 CD2 LEU A 72 15.504 20.480 7.799 1.00 11.36 C ATOM 582 N GLY A 73 16.745 23.536 11.687 1.00 8.90 N ATOM 583 CA GLY A 73 16.934 23.206 13.045 1.00 6.62 C ATOM 584 C GLY A 73 16.110 23.979 14.030 1.00 5.94 C ATOM 585 O GLY A 73 15.649 23.478 15.039 1.00 10.79 O ATOM 586 N ALA A 74 16.171 25.245 13.815 1.00 7.91 N ATOM 587 CA ALA A 74 15.349 26.174 14.636 1.00 9.38 C ATOM 588 C ALA A 74 13.857 25.762 14.607 1.00 8.81 C ATOM 589 O ALA A 74 13.189 25.894 15.638 1.00 11.24 O ATOM 590 CB ALA A 74 15.502 27.576 14.290 1.00 14.11 C ATOM 591 N ILE A 75 13.411 25.328 13.453 1.00 8.29 N ATOM 592 CA ILE A 75 11.960 24.897 13.331 1.00 9.66 C ATOM 593 C ILE A 75 11.719 23.594 14.145 1.00 9.28 C ATOM 594 O ILE A 75 10.797 23.435 14.971 1.00 8.77 O ATOM 595 CB ILE A 75 11.619 24.748 11.835 1.00 7.30 C ATOM 596 CG1 ILE A 75 11.521 26.162 11.174 1.00 8.29 C ATOM 597 CG2 ILE A 75 10.336 23.957 11.683 1.00 9.57 C ATOM 598 CD1 ILE A 75 11.634 25.967 9.656 1.00 12.00 C ATOM 599 N LEU A 76 12.613 22.618 13.908 1.00 7.05 N ATOM 600 CA LEU A 76 12.457 21.423 14.605 1.00 7.42 C ATOM 601 C LEU A 76 12.458 21.431 16.134 1.00 8.85 C ATOM 602 O LEU A 76 11.711 20.719 16.771 1.00 10.27 O ATOM 603 CB LEU A 76 13.543 20.310 14.132 1.00 7.44 C ATOM 604 CG LEU A 76 13.452 19.985 12.639 1.00 11.35 C ATOM 605 CD1 LEU A 76 14.726 19.033 12.276 1.00 12.82 C ATOM 606 CD2 LEU A 76 12.150 19.302 12.291 1.00 12.68 C ATOM 607 N LYS A 77 13.313 22.356 16.699 1.00 6.87 N ATOM 608 CA LYS A 77 13.430 22.463 18.148 1.00 6.94 C ATOM 609 C LYS A 77 12.242 23.109 18.722 1.00 9.84 C ATOM 610 O LYS A 77 12.108 23.111 19.908 1.00 11.63 O ATOM 611 CB LYS A 77 14.729 23.180 18.519 1.00 13.96 C ATOM 612 CG LYS A 77 15.939 22.340 18.145 1.00 12.35 C ATOM 613 CD LYS A 77 17.091 23.307 18.350 1.00 15.46 C ATOM 614 CE LYS A 77 18.325 22.450 17.925 1.00 15.61 C ATOM 615 NZ LYS A 77 19.634 23.261 17.959 1.00 19.55 N ATOM 616 N LYS A 78 11.378 23.703 17.904 1.00 8.68 N ATOM 617 CA LYS A 78 9.996 24.193 18.414 1.00 10.01 C ATOM 618 C LYS A 78 9.037 23.062 18.651 1.00 9.84 C ATOM 619 O LYS A 78 7.906 23.340 19.063 1.00 11.18 O ATOM 620 CB LYS A 78 9.438 25.241 17.462 1.00 10.77 C ATOM 621 CG LYS A 78 10.174 26.535 17.446 1.00 18.41 C ATOM 622 CD LYS A 78 10.455 27.252 18.763 1.00 27.34 C ATOM 623 CE LYS A 78 11.251 28.469 18.165 1.00 38.75 C ATOM 624 NZ LYS A 78 11.143 29.759 18.945 1.00 56.64 N ATOM 625 N LYS A 79 9.272 21.865 18.097 1.00 9.30 N ATOM 626 CA LYS A 79 8.377 20.719 18.346 1.00 10.06 C ATOM 627 C LYS A 79 6.912 21.072 17.881 1.00 11.49 C ATOM 628 O LYS A 79 6.004 20.706 18.664 1.00 13.86 O ATOM 629 CB LYS A 79 8.505 20.110 19.789 1.00 11.63 C ATOM 630 CG LYS A 79 10.050 19.784 20.090 1.00 12.75 C ATOM 631 CD LYS A 79 10.243 19.744 21.606 1.00 18.14 C ATOM 632 CE LYS A 79 9.574 18.443 21.977 1.00 15.65 C ATOM 633 NZ LYS A 79 9.545 18.308 23.522 1.00 14.56 N ATOM 634 N GLY A 80 6.872 21.587 16.638 1.00 8.21 N ATOM 635 CA GLY A 80 5.525 21.856 16.095 1.00 10.34 C ATOM 636 C GLY A 80 4.989 23.252 16.370 1.00 16.08 C ATOM 637 O GLY A 80 4.152 23.731 15.535 1.00 16.41 O ATOM 638 N HIS A 81 5.566 23.967 17.361 1.00 13.38 N ATOM 639 CA HIS A 81 5.111 25.434 17.642 1.00 17.80 C ATOM 640 C HIS A 81 5.966 26.426 16.881 1.00 10.14 C ATOM 641 O HIS A 81 6.649 27.165 17.551 1.00 12.92 O ATOM 642 CB HIS A 81 5.185 25.744 19.144 1.00 16.87 C ATOM 643 CG HIS A 81 4.302 24.668 19.844 1.00 31.36 C ATOM 644 ND1 HIS A 81 4.926 23.626 20.758 1.00 33.78 N ATOM 645 CD2 HIS A 81 2.845 24.517 19.735 1.00 41.48 C ATOM 646 CE1 HIS A 81 3.702 22.932 21.144 1.00 33.33 C ATOM 647 NE2 HIS A 81 2.404 23.388 20.591 1.00 50.07 N ATOM 648 N HIS A 82 5.918 26.340 15.570 1.00 14.55 N ATOM 649 CA HIS A 82 6.813 27.063 14.674 1.00 11.42 C ATOM 650 C HIS A 82 6.215 28.042 13.775 1.00 10.15 C ATOM 651 O HIS A 82 6.742 28.551 12.774 1.00 11.69 O ATOM 652 CB HIS A 82 7.590 26.004 13.842 1.00 8.44 C ATOM 653 CG HIS A 82 6.644 25.077 13.070 1.00 10.94 C ATOM 654 ND1 HIS A 82 6.941 23.715 13.011 1.00 15.53 N ATOM 655 CD2 HIS A 82 5.424 25.270 12.365 1.00 8.90 C ATOM 656 CE1 HIS A 82 5.926 23.097 12.262 1.00 15.60 C ATOM 657 NE2 HIS A 82 5.026 24.057 11.875 1.00 10.23 N ATOM 658 N GLU A 83 5.111 28.627 14.290 1.00 11.66 N ATOM 659 CA GLU A 83 4.404 29.530 13.472 1.00 16.19 C ATOM 660 C GLU A 83 5.267 30.770 13.129 1.00 15.62 C ATOM 661 O GLU A 83 5.288 31.267 11.962 1.00 17.40 O ATOM 662 CB GLU A 83 3.273 30.030 14.363 1.00 20.04 C ATOM 663 CG GLU A 83 2.320 28.942 14.785 1.00 41.64 C ATOM 664 CD GLU A 83 2.956 28.453 16.174 1.00 25.99 C ATOM 665 OE1 GLU A 83 3.680 29.027 17.070 1.00 34.54 O ATOM 666 OE2 GLU A 83 2.853 27.298 16.351 1.00 52.60 O ATOM 667 N ALA A 84 5.947 31.269 14.039 1.00 17.99 N ATOM 668 CA ALA A 84 6.766 32.441 13.804 1.00 17.04 C ATOM 669 C ALA A 84 7.898 32.272 12.811 1.00 14.53 C ATOM 670 O ALA A 84 8.295 33.122 12.043 1.00 19.09 O ATOM 671 CB ALA A 84 7.334 33.081 15.065 1.00 18.72 C ATOM 672 N GLU A 85 8.507 31.147 12.982 1.00 15.48 N ATOM 673 CA GLU A 85 9.589 30.727 12.163 1.00 16.94 C ATOM 674 C GLU A 85 9.181 30.517 10.713 1.00 14.40 C ATOM 675 O GLU A 85 9.964 30.812 9.805 1.00 17.32 O ATOM 676 CB GLU A 85 10.440 29.552 12.788 1.00 16.96 C ATOM 677 CG GLU A 85 10.873 29.772 14.246 1.00 26.59 C ATOM 678 CD GLU A 85 9.783 29.822 15.369 1.00 25.34 C ATOM 679 OE1 GLU A 85 8.665 29.414 15.272 1.00 31.96 O ATOM 680 OE2 GLU A 85 10.230 30.451 16.374 1.00 41.03 O ATOM 681 N LEU A 86 7.964 29.865 10.513 1.00 13.47 N ATOM 682 CA LEU A 86 7.618 29.487 9.238 1.00 12.23 C ATOM 683 C LEU A 86 7.171 30.500 8.427 1.00 9.64 C ATOM 684 O LEU A 86 7.242 30.721 7.212 1.00 13.82 O ATOM 685 CB LEU A 86 6.602 28.325 9.404 1.00 14.86 C ATOM 686 CG LEU A 86 6.536 27.216 8.539 1.00 27.32 C ATOM 687 CD1ALEU A 86 6.083 25.938 9.133 0.50 21.10 C ATOM 688 CD1BLEU A 86 8.030 26.282 8.854 0.50 20.57 C ATOM 689 CD2ALEU A 86 5.067 27.093 8.256 0.50 30.29 C ATOM 690 CD2BLEU A 86 5.778 26.002 9.267 0.50 20.08 C ATOM 691 N LYS A 87 6.568 31.538 9.048 1.00 13.12 N ATOM 692 CA LYS A 87 5.866 32.594 8.300 1.00 19.07 C ATOM 693 C LYS A 87 6.730 33.426 7.400 1.00 15.68 C ATOM 694 O LYS A 87 6.518 33.645 6.193 1.00 14.88 O ATOM 695 CB LYS A 87 5.235 33.708 9.204 1.00 22.06 C ATOM 696 CG LYS A 87 3.843 33.661 8.651 1.00 41.20 C ATOM 697 CD LYS A 87 3.663 35.176 8.853 1.00 37.44 C ATOM 698 CE LYS A 87 2.188 35.494 9.321 1.00 41.32 C ATOM 699 NZ LYS A 87 1.961 36.660 10.201 1.00 56.40 N ATOM 700 N PRO A 88 8.015 33.834 7.710 1.00 15.42 N ATOM 701 CA PRO A 88 8.862 34.519 6.793 1.00 12.53 C ATOM 702 C PRO A 88 9.375 33.643 5.622 1.00 5.60 C ATOM 703 O PRO A 88 9.658 34.037 4.488 1.00 9.22 O ATOM 704 CB PRO A 88 10.006 35.154 7.603 1.00 20.54 C ATOM 705 CG PRO A 88 9.470 34.887 8.989 1.00 21.58 C ATOM 706 CD PRO A 88 8.468 33.877 9.111 1.00 20.56 C ATOM 707 N LEU A 89 9.576 32.425 6.046 1.00 10.52 N ATOM 708 CA LEU A 89 10.130 31.408 5.123 1.00 11.77 C ATOM 709 C LEU A 89 9.032 31.127 4.026 1.00 8.77 C ATOM 710 O LEU A 89 9.309 31.012 2.816 1.00 8.77 O ATOM 711 CB LEU A 89 10.546 30.050 5.833 1.00 10.40 C ATOM 712 CG LEU A 89 11.148 29.029 4.894 1.00 15.08 C ATOM 713 CD1ALEU A 89 11.142 27.720 5.822 0.50 20.26 C ATOM 714 CD1BLEU A 89 12.714 29.572 4.887 0.50 19.08 C ATOM 715 CD2ALEU A 89 10.248 28.196 3.949 0.50 38.98 C ATOM 716 CD2BLEU A 89 11.142 27.720 5.822 0.50 20.26 C ATOM 717 N ALA A 90 7.824 30.866 4.437 1.00 9.43 N ATOM 718 CA ALA A 90 6.876 30.536 3.308 1.00 8.98 C ATOM 719 C ALA A 90 6.572 31.721 2.497 1.00 5.57 C ATOM 720 O ALA A 90 6.446 31.744 1.271 1.00 10.90 O ATOM 721 CB ALA A 90 5.530 30.257 4.070 1.00 13.18 C ATOM 722 N GLN A 91 6.630 32.920 3.086 1.00 7.19 N ATOM 723 CA GLN A 91 6.447 34.104 2.387 1.00 9.44 C ATOM 724 C GLN A 91 7.444 34.369 1.250 1.00 13.71 C ATOM 725 O GLN A 91 7.363 34.680 0.067 1.00 11.83 O ATOM 726 CB GLN A 91 6.311 35.433 3.204 1.00 16.66 C ATOM 727 CG GLN A 91 4.968 35.566 3.933 1.00 29.66 C ATOM 728 CD GLN A 91 4.876 36.501 5.187 1.00 57.41 C ATOM 729 OE1 GLN A 91 3.926 37.238 5.365 1.00 43.81 O ATOM 730 NE2 GLN A 91 5.850 36.796 5.852 1.00 40.19 N ATOM 731 N SER A 92 8.883 34.165 1.603 1.00 6.54 N ATOM 732 CA SER A 92 9.871 34.299 0.585 1.00 7.95 C ATOM 733 C SER A 92 9.922 33.253 -0.447 1.00 5.61 C ATOM 734 O SER A 92 10.040 33.429 -1.643 1.00 8.90 O ATOM 735 CB SER A 92 11.315 34.432 1.203 1.00 12.75 C ATOM 736 OG SER A 92 11.626 33.223 1.834 1.00 11.39 O ATOM 737 N HIS A 93 9.544 32.035 0.027 1.00 7.09 N ATOM 738 CA HIS A 93 9.623 30.850 -0.894 1.00 5.83 C ATOM 739 C HIS A 93 8.389 30.814 -1.909 1.00 6.45 C ATOM 740 O HIS A 93 8.628 30.459 -3.043 1.00 10.14 O ATOM 741 CB HIS A 93 9.774 29.558 -0.140 1.00 6.13 C ATOM 742 CG HIS A 93 11.242 29.428 0.382 1.00 7.92 C ATOM 743 ND1 HIS A 93 11.718 30.313 1.330 1.00 9.63 N ATOM 744 CD2 HIS A 93 12.183 28.506 -0.059 1.00 8.08 C ATOM 745 CE1 HIS A 93 13.133 29.869 1.471 1.00 11.58 C ATOM 746 NE2 HIS A 93 13.369 28.841 0.659 1.00 6.94 N ATOM 747 N ALA A 94 7.248 31.470 -1.372 1.00 8.45 N ATOM 748 CA ALA A 94 6.144 31.544 -2.363 1.00 12.14 C ATOM 749 C ALA A 94 6.339 32.731 -3.347 1.00 11.14 C ATOM 750 O ALA A 94 6.015 32.529 -4.541 1.00 11.83 O ATOM 751 CB ALA A 94 4.920 31.809 -1.482 1.00 13.46 C ATOM 752 N THR A 95 6.776 33.854 -2.750 1.00 13.18 N ATOM 753 CA THR A 95 6.663 35.031 -3.533 1.00 11.63 C ATOM 754 C THR A 95 7.910 35.483 -4.269 1.00 18.62 C ATOM 755 O THR A 95 7.789 36.113 -5.371 1.00 19.89 O ATOM 756 CB THR A 95 5.976 36.156 -2.766 1.00 22.18 C ATOM 757 OG1 THR A 95 6.866 36.728 -1.830 1.00 19.27 O ATOM 758 CG2 THR A 95 4.696 35.746 -2.077 1.00 22.64 C ATOM 759 N LYS A 96 9.118 35.252 -3.603 1.00 12.36 N ATOM 760 CA LYS A 96 10.361 35.718 -4.148 1.00 13.53 C ATOM 761 C LYS A 96 11.048 34.669 -4.918 1.00 13.26 C ATOM 762 O LYS A 96 11.352 34.626 -6.142 1.00 15.74 O ATOM 763 CB LYS A 96 11.163 36.104 -2.997 1.00 21.43 C ATOM 764 CG LYS A 96 12.394 36.859 -3.419 1.00 32.02 C ATOM 765 CD LYS A 96 13.042 37.432 -1.966 1.00 47.12 C ATOM 766 CE LYS A 96 13.891 38.812 -2.029 1.00 52.28 C ATOM 767 NZ LYS A 96 14.641 39.536 -0.835 1.00 62.29 N ATOM 768 N HIS A 97 11.247 33.487 -4.199 1.00 12.25 N ATOM 769 CA HIS A 97 12.019 32.380 -4.759 1.00 7.68 C ATOM 770 C HIS A 97 11.246 31.493 -5.754 1.00 9.26 C ATOM 771 O HIS A 97 11.665 30.763 -6.635 1.00 11.99 O ATOM 772 CB HIS A 97 12.681 31.527 -3.707 1.00 7.78 C ATOM 773 CG HIS A 97 13.454 32.350 -2.758 1.00 8.99 C ATOM 774 ND1 HIS A 97 14.344 33.328 -3.143 1.00 9.98 N ATOM 775 CD2 HIS A 97 13.491 32.419 -1.408 1.00 9.81 C ATOM 776 CE1 HIS A 97 14.777 33.831 -2.036 1.00 11.19 C ATOM 777 NE2 HIS A 97 14.328 33.344 -0.911 1.00 10.99 N ATOM 778 N LYS A 98 9.969 31.411 -5.453 1.00 11.89 N ATOM 779 CA LYS A 98 9.008 30.580 -6.156 1.00 14.53 C ATOM 780 C LYS A 98 9.372 29.080 -6.220 1.00 10.72 C ATOM 781 O LYS A 98 9.594 28.382 -7.217 1.00 12.94 O ATOM 782 CB LYS A 98 8.815 31.005 -7.579 1.00 11.81 C ATOM 783 CG LYS A 98 8.631 32.360 -7.757 1.00 28.24 C ATOM 784 CD LYS A 98 7.382 32.651 -7.234 1.00 30.40 C ATOM 785 CE LYS A 98 6.697 33.669 -8.157 1.00 57.48 C ATOM 786 NZ LYS A 98 5.405 33.673 -7.544 1.00 61.32 N ATOM 787 N ILE A 99 9.310 28.552 -5.125 1.00 11.66 N ATOM 788 CA ILE A 99 9.601 27.139 -4.763 1.00 7.37 C ATOM 789 C ILE A 99 8.412 26.267 -4.626 1.00 9.89 C ATOM 790 O ILE A 99 7.718 26.356 -3.597 1.00 12.72 O ATOM 791 CB ILE A 99 10.562 26.972 -3.596 1.00 8.67 C ATOM 792 CG1 ILE A 99 11.790 27.944 -3.714 1.00 10.36 C ATOM 793 CG2 ILE A 99 11.083 25.532 -3.383 1.00 9.07 C ATOM 794 CD1 ILE A 99 12.480 27.682 -5.035 1.00 11.62 C ATOM 795 N PRO A 100 8.144 25.409 -5.610 1.00 8.99 N ATOM 796 CA PRO A 100 6.904 24.566 -5.439 1.00 11.55 C ATOM 797 C PRO A 100 7.095 23.740 -4.239 1.00 8.62 C ATOM 798 O PRO A 100 8.137 23.160 -3.811 1.00 8.96 O ATOM 799 CB PRO A 100 6.818 23.715 -6.695 1.00 11.40 C ATOM 800 CG PRO A 100 7.691 24.292 -7.707 1.00 12.91 C ATOM 801 CD PRO A 100 8.725 25.269 -6.956 1.00 12.03 C ATOM 802 N ILE A 101 5.898 23.282 -3.720 1.00 9.68 N ATOM 803 CA ILE A 101 5.779 22.433 -2.608 1.00 13.18 C ATOM 804 C ILE A 101 6.508 21.115 -2.928 1.00 11.95 C ATOM 805 O ILE A 101 7.084 20.402 -2.178 1.00 9.92 O ATOM 806 CB ILE A 101 4.368 22.140 -2.075 1.00 13.99 C ATOM 807 CG1 ILE A 101 3.797 23.365 -1.468 1.00 19.35 C ATOM 808 CG2 ILE A 101 4.348 21.034 -1.036 1.00 19.52 C ATOM 809 CD1 ILE A 101 4.396 23.710 -0.159 1.00 20.89 C ATOM 810 N LYS A 102 6.443 20.609 -4.155 1.00 9.41 N ATOM 811 CA LYS A 102 7.044 19.354 -4.587 1.00 11.10 C ATOM 812 C LYS A 102 8.576 19.369 -4.384 1.00 8.43 C ATOM 813 O LYS A 102 9.175 18.380 -4.122 1.00 8.89 O ATOM 814 CB LYS A 102 6.759 19.073 -6.134 1.00 8.18 C ATOM 815 CG LYS A 102 7.217 17.879 -6.690 1.00 10.19 C ATOM 816 CD LYS A 102 6.217 16.883 -6.124 1.00 18.57 C ATOM 817 CE LYS A 102 6.360 15.489 -6.591 1.00 23.57 C ATOM 818 NZ LYS A 102 5.632 14.347 -5.752 1.00 15.42 N ATOM 819 N TYR A 103 9.085 20.588 -4.625 1.00 10.72 N ATOM 820 CA TYR A 103 10.607 20.648 -4.408 1.00 7.40 C ATOM 821 C TYR A 103 10.894 20.612 -2.913 1.00 5.33 C ATOM 822 O TYR A 103 12.007 20.154 -2.582 1.00 7.00 O ATOM 823 CB TYR A 103 11.164 22.056 -4.858 1.00 9.38 C ATOM 824 CG TYR A 103 11.153 22.238 -6.409 1.00 8.53 C ATOM 825 CD1 TYR A 103 11.817 23.305 -7.041 1.00 10.62 C ATOM 826 CD2 TYR A 103 10.531 21.395 -7.222 1.00 19.81 C ATOM 827 CE1 TYR A 103 11.812 23.486 -8.376 1.00 13.33 C ATOM 828 CE2 TYR A 103 10.477 21.532 -8.658 1.00 19.31 C ATOM 829 CZ TYR A 103 11.158 22.665 -9.191 1.00 11.50 C ATOM 830 OH TYR A 103 11.235 22.965 -10.573 1.00 23.80 O ATOM 831 N LEU A 104 10.031 21.018 -2.012 1.00 4.59 N ATOM 832 CA LEU A 104 10.238 20.748 -0.659 1.00 6.63 C ATOM 833 C LEU A 104 10.094 19.269 -0.257 1.00 6.55 C ATOM 834 O LEU A 104 10.863 18.776 0.631 1.00 8.58 O ATOM 835 CB LEU A 104 9.264 21.642 0.148 1.00 11.52 C ATOM 836 CG LEU A 104 9.367 23.090 0.037 1.00 11.87 C ATOM 837 CD1 LEU A 104 8.230 23.793 0.837 1.00 16.19 C ATOM 838 CD2 LEU A 104 10.695 23.660 0.423 1.00 15.12 C ATOM 839 N GLU A 105 9.311 18.508 -1.035 1.00 6.21 N ATOM 840 CA GLU A 105 9.288 17.090 -0.915 1.00 8.73 C ATOM 841 C GLU A 105 10.660 16.540 -1.350 1.00 6.98 C ATOM 842 O GLU A 105 11.181 15.708 -0.627 1.00 7.56 O ATOM 843 CB GLU A 105 8.049 16.472 -1.739 1.00 8.31 C ATOM 844 CG GLU A 105 8.021 15.039 -1.531 1.00 11.39 C ATOM 845 CD GLU A 105 6.793 14.419 -2.413 1.00 12.35 C ATOM 846 OE1 GLU A 105 6.769 13.197 -2.401 1.00 20.81 O ATOM 847 OE2 GLU A 105 6.224 15.143 -3.168 1.00 12.97 O ATOM 848 N PHE A 106 11.146 16.999 -2.440 1.00 5.09 N ATOM 849 CA PHE A 106 12.451 16.459 -2.870 1.00 4.84 C ATOM 850 C PHE A 106 13.637 16.730 -1.925 1.00 5.69 C ATOM 851 O PHE A 106 14.373 15.824 -1.662 1.00 7.79 O ATOM 852 CB PHE A 106 12.821 17.084 -4.150 1.00 8.55 C ATOM 853 CG PHE A 106 12.003 16.896 -5.449 1.00 6.11 C ATOM 854 CD1 PHE A 106 12.055 17.793 -6.444 1.00 11.54 C ATOM 855 CD2 PHE A 106 11.252 15.718 -5.436 1.00 10.94 C ATOM 856 CE1 PHE A 106 11.186 17.585 -7.611 1.00 14.44 C ATOM 857 CE2 PHE A 106 10.448 15.491 -6.598 1.00 13.80 C ATOM 858 CZ PHE A 106 10.446 16.434 -7.593 1.00 9.92 C ATOM 859 N ILE A 107 13.749 17.897 -1.345 1.00 8.23 N ATOM 860 CA ILE A 107 14.825 18.197 -0.316 1.00 6.42 C ATOM 861 C ILE A 107 14.525 17.412 0.926 1.00 6.02 C ATOM 862 O ILE A 107 15.530 16.920 1.540 1.00 6.65 O ATOM 863 CB ILE A 107 14.952 19.716 -0.091 1.00 6.00 C ATOM 864 CG1 ILE A 107 16.378 19.875 0.551 1.00 8.96 C ATOM 865 CG2 ILE A 107 13.957 20.250 0.890 1.00 6.08 C ATOM 866 CD1 ILE A 107 16.772 21.388 0.635 1.00 7.71 C ATOM 867 N SER A 108 13.269 17.115 1.359 1.00 4.19 N ATOM 868 CA SER A 108 12.949 16.265 2.407 1.00 4.37 C ATOM 869 C SER A 108 13.523 14.849 2.264 1.00 4.57 C ATOM 870 O SER A 108 14.168 14.251 3.090 1.00 6.05 O ATOM 871 CB SER A 108 11.537 16.184 2.606 1.00 7.84 C ATOM 872 OG SER A 108 10.991 17.424 3.088 1.00 8.01 O ATOM 873 N GLU A 109 13.345 14.319 1.023 1.00 7.26 N ATOM 874 CA GLU A 109 13.910 12.964 0.676 1.00 10.03 C ATOM 875 C GLU A 109 15.485 13.100 0.781 1.00 8.94 C ATOM 876 O GLU A 109 16.057 12.059 1.185 1.00 6.49 O ATOM 877 CB GLU A 109 13.526 12.667 -0.760 1.00 8.81 C ATOM 878 CG GLU A 109 11.996 12.401 -0.937 1.00 26.40 C ATOM 879 CD GLU A 109 11.067 11.757 0.103 1.00 60.67 C ATOM 880 OE1 GLU A 109 10.844 10.633 -0.048 1.00 48.17 O ATOM 881 OE2 GLU A 109 10.859 12.017 1.262 1.00 39.59 O ATOM 882 N ALA A 110 16.111 14.168 0.221 1.00 8.72 N ATOM 883 CA ALA A 110 17.642 14.221 0.270 1.00 8.90 C ATOM 884 C ALA A 110 18.043 14.276 1.740 1.00 10.19 C ATOM 885 O ALA A 110 19.068 13.714 2.107 1.00 10.33 O ATOM 886 CB ALA A 110 17.971 15.461 -0.442 1.00 9.09 C ATOM 887 N ILE A 111 17.376 14.982 2.668 1.00 8.21 N ATOM 888 CA ILE A 111 17.700 15.052 4.094 1.00 6.00 C ATOM 889 C ILE A 111 17.739 13.680 4.623 1.00 9.43 C ATOM 890 O ILE A 111 18.643 13.161 5.380 1.00 9.33 O ATOM 891 CB ILE A 111 16.682 15.969 4.842 1.00 8.02 C ATOM 892 CG1 ILE A 111 16.933 17.422 4.361 1.00 4.81 C ATOM 893 CG2 ILE A 111 17.007 15.840 6.409 1.00 12.07 C ATOM 894 CD1 ILE A 111 15.876 18.416 4.865 1.00 9.36 C ATOM 895 N ILE A 112 16.645 12.935 4.402 1.00 7.91 N ATOM 896 CA ILE A 112 16.533 11.588 5.002 1.00 12.37 C ATOM 897 C ILE A 112 17.593 10.658 4.470 1.00 9.67 C ATOM 898 O ILE A 112 18.275 9.870 5.256 1.00 11.91 O ATOM 899 CB ILE A 112 15.051 10.989 4.776 1.00 12.81 C ATOM 900 CG1 ILE A 112 14.102 11.736 5.676 1.00 15.28 C ATOM 901 CG2 ILE A 112 15.008 9.529 5.078 1.00 13.69 C ATOM 902 CD1 ILE A 112 12.686 11.709 5.140 1.00 20.66 C ATOM 903 N HIS A 113 17.870 10.695 3.155 1.00 8.19 N ATOM 904 CA HIS A 113 18.916 9.878 2.476 1.00 9.44 C ATOM 905 C HIS A 113 20.264 10.147 3.234 1.00 13.71 C ATOM 906 O HIS A 113 21.077 9.232 3.565 1.00 14.19 O ATOM 907 CB HIS A 113 18.934 10.231 1.043 1.00 16.90 C ATOM 908 CG HIS A 113 19.998 9.430 0.335 1.00 27.14 C ATOM 909 ND1 HIS A 113 19.558 8.370 -0.378 1.00 44.45 N ATOM 910 CD2 HIS A 113 21.377 9.694 0.341 1.00 22.34 C ATOM 911 CE1 HIS A 113 20.866 8.022 -0.798 1.00 35.18 C ATOM 912 NE2 HIS A 113 21.901 8.755 -0.403 1.00 32.57 N ATOM 913 N VAL A 114 20.651 11.443 3.390 1.00 9.87 N ATOM 914 CA VAL A 114 21.936 11.776 3.974 1.00 10.16 C ATOM 915 C VAL A 114 21.945 11.340 5.367 1.00 11.94 C ATOM 916 O VAL A 114 23.055 10.905 5.878 1.00 11.38 O ATOM 917 CB VAL A 114 22.172 13.313 3.731 1.00 9.98 C ATOM 918 CG1 VAL A 114 23.413 13.890 4.609 1.00 11.79 C ATOM 919 CG2 VAL A 114 22.441 13.551 2.197 1.00 9.98 C ATOM 920 N LEU A 115 21.012 11.628 6.220 1.00 9.85 N ATOM 921 CA LEU A 115 20.964 11.203 7.562 1.00 14.25 C ATOM 922 C LEU A 115 21.133 9.711 7.724 1.00 9.52 C ATOM 923 O LEU A 115 21.896 9.287 8.647 1.00 11.13 O ATOM 924 CB LEU A 115 19.640 11.500 8.281 1.00 16.99 C ATOM 925 CG LEU A 115 19.455 12.872 8.602 1.00 23.77 C ATOM 926 CD1 LEU A 115 18.340 13.495 9.488 1.00 20.29 C ATOM 927 CD2 LEU A 115 20.518 13.599 9.071 1.00 21.90 C ATOM 928 N HIS A 116 20.608 8.938 6.762 1.00 11.92 N ATOM 929 CA HIS A 116 20.703 7.455 6.739 1.00 19.88 C ATOM 930 C HIS A 116 22.217 7.144 6.495 1.00 16.69 C ATOM 931 O HIS A 116 22.733 6.193 7.151 1.00 14.31 O ATOM 932 CB HIS A 116 19.727 6.808 5.792 1.00 17.48 C ATOM 933 CG HIS A 116 19.687 5.282 5.991 1.00 28.00 C ATOM 934 ND1 HIS A 116 19.267 4.497 7.134 1.00 37.84 N ATOM 935 CD2 HIS A 116 20.146 4.574 4.925 1.00 45.64 C ATOM 936 CE1 HIS A 116 19.443 3.156 6.768 1.00 29.00 C ATOM 937 NE2 HIS A 116 20.029 3.133 5.351 1.00 37.58 N ATOM 938 N SER A 117 22.822 7.796 5.558 1.00 11.38 N ATOM 939 CA SER A 117 24.155 7.532 5.149 1.00 14.51 C ATOM 940 C SER A 117 25.038 7.811 6.349 1.00 19.31 C ATOM 941 O SER A 117 26.047 7.082 6.488 1.00 17.27 O ATOM 942 CB SER A 117 24.476 8.445 3.919 1.00 25.02 C ATOM 943 OG SER A 117 24.019 7.993 2.659 1.00 31.53 O ATOM 944 N ARG A 118 24.917 8.970 6.957 1.00 16.12 N ATOM 945 CA ARG A 118 25.811 9.360 7.949 1.00 11.18 C ATOM 946 C ARG A 118 25.745 8.753 9.301 1.00 13.72 C ATOM 947 O ARG A 118 26.566 8.797 10.256 1.00 17.52 O ATOM 948 CB ARG A 118 25.977 10.921 7.959 1.00 9.73 C ATOM 949 CG ARG A 118 26.531 11.473 6.627 1.00 17.93 C ATOM 950 CD ARG A 118 26.391 13.003 6.553 1.00 22.01 C ATOM 951 NE ARG A 118 27.616 13.512 6.893 1.00 26.54 N ATOM 952 CZ ARG A 118 28.447 14.608 6.597 1.00 16.53 C ATOM 953 NH1 ARG A 118 28.876 14.988 5.424 1.00 19.73 N ATOM 954 NH2 ARG A 118 28.995 14.625 7.776 1.00 24.89 N ATOM 955 N HIS A 119 24.446 8.366 9.733 1.00 13.08 N ATOM 956 CA HIS A 119 24.044 8.119 11.166 1.00 11.77 C ATOM 957 C HIS A 119 23.287 6.845 11.254 1.00 17.58 C ATOM 958 O HIS A 119 22.324 6.846 12.043 1.00 17.22 O ATOM 959 CB HIS A 119 23.325 9.266 11.975 1.00 13.36 C ATOM 960 CG HIS A 119 24.012 10.581 11.736 1.00 16.60 C ATOM 961 ND1 HIS A 119 25.110 10.859 12.434 1.00 17.39 N ATOM 962 CD2 HIS A 119 23.756 11.638 10.864 1.00 18.29 C ATOM 963 CE1 HIS A 119 25.527 12.116 12.020 1.00 13.87 C ATOM 964 NE2 HIS A 119 24.678 12.572 11.054 1.00 15.89 N ATOM 965 N PRO A 120 23.612 5.830 10.563 1.00 14.92 N ATOM 966 CA PRO A 120 22.775 4.587 10.584 1.00 19.66 C ATOM 967 C PRO A 120 22.478 3.996 11.954 1.00 31.35 C ATOM 968 O PRO A 120 21.315 3.658 12.269 1.00 23.87 O ATOM 969 CB PRO A 120 23.648 3.597 9.801 1.00 25.59 C ATOM 970 CG PRO A 120 25.024 4.030 9.932 1.00 28.19 C ATOM 971 CD PRO A 120 24.752 5.554 9.777 1.00 18.36 C ATOM 972 N GLY A 121 23.271 4.024 12.888 1.00 21.02 N ATOM 973 CA GLY A 121 22.916 3.665 14.346 1.00 16.47 C ATOM 974 C GLY A 121 22.031 4.492 15.179 1.00 20.30 C ATOM 975 O GLY A 121 21.415 3.954 16.099 1.00 28.40 O ATOM 976 N ASP A 122 21.828 5.596 14.727 1.00 17.14 N ATOM 977 CA ASP A 122 20.943 6.526 15.388 1.00 18.64 C ATOM 978 C ASP A 122 19.733 6.792 14.469 1.00 17.84 C ATOM 979 O ASP A 122 19.074 7.802 14.778 1.00 29.20 O ATOM 980 CB ASP A 122 21.419 7.865 16.115 1.00 27.88 C ATOM 981 CG ASP A 122 22.416 7.448 17.133 1.00 47.13 C ATOM 982 OD1 ASP A 122 23.594 7.867 17.026 1.00 44.35 O ATOM 983 OD2 ASP A 122 21.898 7.154 18.195 1.00 39.04 O ATOM 984 N PHE A 123 19.695 6.179 13.258 1.00 18.26 N ATOM 985 CA PHE A 123 18.692 6.445 12.195 1.00 11.91 C ATOM 986 C PHE A 123 18.100 5.129 11.724 1.00 9.59 C ATOM 987 O PHE A 123 17.985 4.945 10.515 1.00 15.86 O ATOM 988 CB PHE A 123 19.255 7.353 11.139 1.00 11.75 C ATOM 989 CG PHE A 123 18.137 8.194 10.405 1.00 9.65 C ATOM 990 CD1 PHE A 123 17.410 9.118 11.121 1.00 14.76 C ATOM 991 CD2 PHE A 123 17.909 8.002 9.051 1.00 11.39 C ATOM 992 CE1 PHE A 123 16.436 9.898 10.464 1.00 18.86 C ATOM 993 CE2 PHE A 123 16.907 8.795 8.467 1.00 9.69 C ATOM 994 CZ PHE A 123 16.282 9.645 9.162 1.00 9.98 C ATOM 995 N GLY A 124 17.611 4.402 12.709 1.00 12.72 N ATOM 996 CA GLY A 124 16.843 3.117 12.383 1.00 13.77 C ATOM 997 C GLY A 124 15.449 3.511 11.845 1.00 17.54 C ATOM 998 O GLY A 124 15.148 4.726 11.932 1.00 11.24 O ATOM 999 N ALA A 125 14.635 2.524 11.702 1.00 13.14 N ATOM 1000 CA ALA A 125 13.303 2.755 11.064 1.00 12.61 C ATOM 1001 C ALA A 125 12.443 3.607 11.883 1.00 13.19 C ATOM 1002 O ALA A 125 11.710 4.471 11.385 1.00 12.58 O ATOM 1003 CB ALA A 125 12.615 1.394 11.045 1.00 11.65 C ATOM 1004 N ASP A 126 12.460 3.525 13.138 1.00 10.18 N ATOM 1005 CA ASP A 126 11.741 4.242 14.117 1.00 13.14 C ATOM 1006 C ASP A 126 12.010 5.753 13.872 1.00 12.23 C ATOM 1007 O ASP A 126 11.110 6.629 13.798 1.00 9.69 O ATOM 1008 CB ASP A 126 11.865 3.922 15.535 1.00 20.03 C ATOM 1009 CG ASP A 126 13.300 3.692 16.112 1.00 18.16 C ATOM 1010 OD1 ASP A 126 13.200 3.700 17.327 1.00 30.44 O ATOM 1011 OD2 ASP A 126 14.325 3.849 15.457 1.00 21.46 O ATOM 1012 N ALA A 127 13.348 6.130 13.923 1.00 9.66 N ATOM 1013 CA ALA A 127 13.763 7.489 13.772 1.00 7.55 C ATOM 1014 C ALA A 127 13.513 7.962 12.350 1.00 10.84 C ATOM 1015 O ALA A 127 13.191 9.121 12.119 1.00 7.95 O ATOM 1016 CB ALA A 127 15.274 7.567 13.887 1.00 6.54 C ATOM 1017 N GLN A 128 13.631 7.146 11.351 1.00 8.29 N ATOM 1018 CA GLN A 128 13.279 7.522 9.984 1.00 8.76 C ATOM 1019 C GLN A 128 11.760 7.841 9.822 1.00 8.30 C ATOM 1020 O GLN A 128 11.470 8.886 9.205 1.00 9.62 O ATOM 1021 CB GLN A 128 13.469 6.329 8.998 1.00 11.89 C ATOM 1022 CG GLN A 128 14.864 5.887 8.645 1.00 17.42 C ATOM 1023 CD GLN A 128 14.795 4.400 8.245 1.00 22.45 C ATOM 1024 OE1 GLN A 128 14.290 4.404 7.126 1.00 18.82 O ATOM 1025 NE2 GLN A 128 16.005 3.837 8.706 1.00 18.20 N ATOM 1026 N GLY A 129 10.946 7.060 10.533 1.00 7.13 N ATOM 1027 CA GLY A 129 9.455 7.338 10.463 1.00 7.97 C ATOM 1028 C GLY A 129 9.307 8.722 11.139 1.00 8.64 C ATOM 1029 O GLY A 129 8.449 9.567 10.730 1.00 10.16 O ATOM 1030 N ALA A 130 9.804 8.989 12.274 1.00 9.47 N ATOM 1031 CA ALA A 130 9.630 10.189 13.057 1.00 8.37 C ATOM 1032 C ALA A 130 10.070 11.454 12.287 1.00 7.98 C ATOM 1033 O ALA A 130 9.394 12.441 12.246 1.00 7.69 O ATOM 1034 CB ALA A 130 10.317 10.180 14.496 1.00 9.07 C ATOM 1035 N MET A 131 11.273 11.352 11.649 1.00 8.57 N ATOM 1036 CA MET A 131 11.836 12.401 10.745 1.00 8.62 C ATOM 1037 C MET A 131 10.910 12.742 9.500 1.00 6.75 C ATOM 1038 O MET A 131 10.606 13.910 9.288 1.00 8.28 O ATOM 1039 CB MET A 131 13.282 12.049 10.335 1.00 9.49 C ATOM 1040 CG MET A 131 13.851 13.255 9.616 1.00 9.39 C ATOM 1041 SD MET A 131 14.150 14.805 10.594 1.00 17.75 S ATOM 1042 CE MET A 131 15.368 14.036 11.454 1.00 15.97 C ATOM 1043 N ASN A 132 10.448 11.627 8.933 1.00 4.74 N ATOM 1044 CA ASN A 132 9.468 11.783 7.860 1.00 6.81 C ATOM 1045 C ASN A 132 8.233 12.499 8.327 1.00 4.78 C ATOM 1046 O ASN A 132 7.834 13.471 7.674 1.00 7.42 O ATOM 1047 CB ASN A 132 9.082 10.496 7.260 1.00 13.88 C ATOM 1048 CG ASN A 132 8.228 10.820 6.050 1.00 21.20 C ATOM 1049 OD1 ASN A 132 8.581 11.448 5.056 1.00 19.28 O ATOM 1050 ND2 ASN A 132 7.044 10.419 6.302 1.00 21.24 N ATOM 1051 N LYS A 133 7.726 12.231 9.477 1.00 5.82 N ATOM 1052 CA LYS A 133 6.558 12.868 10.119 1.00 6.59 C ATOM 1053 C LYS A 133 6.849 14.318 10.328 1.00 8.76 C ATOM 1054 O LYS A 133 6.039 15.293 10.103 1.00 8.45 O ATOM 1055 CB LYS A 133 6.049 12.279 11.339 1.00 11.37 C ATOM 1056 CG LYS A 133 5.362 10.963 11.246 1.00 16.69 C ATOM 1057 CD LYS A 133 4.475 11.089 12.517 1.00 21.13 C ATOM 1058 CE LYS A 133 3.650 9.901 12.967 1.00 51.60 C ATOM 1059 NZ LYS A 133 2.907 10.475 14.224 1.00 33.32 N ATOM 1060 N ALA A 134 7.983 14.662 10.840 1.00 5.09 N ATOM 1061 CA ALA A 134 8.277 16.049 11.161 1.00 5.03 C ATOM 1062 C ALA A 134 8.513 16.848 9.884 1.00 4.74 C ATOM 1063 O ALA A 134 8.096 18.063 9.822 1.00 7.51 O ATOM 1064 CB ALA A 134 9.647 16.125 11.966 1.00 8.63 C ATOM 1065 N LEU A 135 9.062 16.306 8.794 1.00 4.85 N ATOM 1066 CA LEU A 135 9.235 16.978 7.576 1.00 6.18 C ATOM 1067 C LEU A 135 7.815 17.150 6.905 1.00 6.51 C ATOM 1068 O LEU A 135 7.590 18.113 6.145 1.00 6.30 O ATOM 1069 CB LEU A 135 10.286 16.349 6.679 1.00 4.78 C ATOM 1070 CG LEU A 135 11.669 16.417 7.338 1.00 10.81 C ATOM 1071 CD1 LEU A 135 12.681 15.693 6.439 1.00 11.64 C ATOM 1072 CD2 LEU A 135 12.042 17.818 7.431 1.00 16.60 C ATOM 1073 N GLU A 136 6.998 16.174 7.031 1.00 4.15 N ATOM 1074 CA GLU A 136 5.592 16.247 6.415 1.00 6.24 C ATOM 1075 C GLU A 136 4.918 17.359 7.185 1.00 6.42 C ATOM 1076 O GLU A 136 4.150 18.158 6.496 1.00 8.43 O ATOM 1077 CB GLU A 136 4.834 15.003 6.722 1.00 6.88 C ATOM 1078 CG GLU A 136 5.250 13.948 5.686 1.00 10.64 C ATOM 1079 CD GLU A 136 4.768 12.458 5.948 1.00 34.00 C ATOM 1080 OE1 GLU A 136 4.126 12.334 7.000 1.00 26.21 O ATOM 1081 OE2 GLU A 136 4.502 11.896 4.863 1.00 23.70 O ATOM 1082 N LEU A 137 5.070 17.561 8.472 1.00 4.92 N ATOM 1083 CA LEU A 137 4.325 18.686 9.186 1.00 4.39 C ATOM 1084 C LEU A 137 4.801 20.065 8.710 1.00 9.77 C ATOM 1085 O LEU A 137 4.031 21.004 8.478 1.00 8.47 O ATOM 1086 CB LEU A 137 4.586 18.492 10.691 1.00 10.16 C ATOM 1087 CG LEU A 137 4.060 19.628 11.695 1.00 12.27 C ATOM 1088 CD1 LEU A 137 2.502 19.662 11.655 1.00 21.45 C ATOM 1089 CD2 LEU A 137 4.513 19.338 13.176 1.00 11.94 C ATOM 1090 N PHE A 138 6.171 20.234 8.513 1.00 6.94 N ATOM 1091 CA PHE A 138 6.717 21.384 7.921 1.00 6.63 C ATOM 1092 C PHE A 138 6.048 21.608 6.564 1.00 7.42 C ATOM 1093 O PHE A 138 5.663 22.752 6.326 1.00 6.29 O ATOM 1094 CB PHE A 138 8.290 21.055 7.804 1.00 6.48 C ATOM 1095 CG PHE A 138 9.082 22.009 6.880 1.00 9.02 C ATOM 1096 CD1 PHE A 138 9.571 21.667 5.653 1.00 12.48 C ATOM 1097 CD2 PHE A 138 9.337 23.251 7.429 1.00 15.78 C ATOM 1098 CE1 PHE A 138 10.350 22.539 4.868 1.00 24.39 C ATOM 1099 CE2 PHE A 138 10.098 24.120 6.676 1.00 18.92 C ATOM 1100 CZ PHE A 138 10.589 23.752 5.424 1.00 18.71 C ATOM 1101 N ARG A 139 6.016 20.633 5.673 1.00 6.07 N ATOM 1102 CA ARG A 139 5.413 20.842 4.323 1.00 7.25 C ATOM 1103 C ARG A 139 3.910 21.190 4.423 1.00 6.94 C ATOM 1104 O ARG A 139 3.517 22.109 3.643 1.00 7.92 O ATOM 1105 CB ARG A 139 5.578 19.567 3.456 1.00 9.93 C ATOM 1106 CG ARG A 139 6.961 19.336 2.865 1.00 23.76 C ATOM 1107 CD ARG A 139 6.841 18.550 1.573 1.00 17.92 C ATOM 1108 NE ARG A 139 6.330 17.158 1.870 1.00 12.75 N ATOM 1109 CZ ARG A 139 6.847 16.071 2.374 1.00 12.45 C ATOM 1110 NH1 ARG A 139 8.018 16.234 3.005 1.00 12.52 N ATOM 1111 NH2 ARG A 139 6.322 14.894 2.377 1.00 7.34 N ATOM 1112 N LYS A 140 3.185 20.537 5.301 1.00 5.70 N ATOM 1113 CA LYS A 140 1.727 20.798 5.466 1.00 8.41 C ATOM 1114 C LYS A 140 1.557 22.239 5.836 1.00 10.93 C ATOM 1115 O LYS A 140 0.599 22.939 5.346 1.00 8.39 O ATOM 1116 CB LYS A 140 1.232 19.844 6.462 1.00 6.17 C ATOM 1117 CG LYS A 140 -0.226 20.134 6.872 1.00 11.21 C ATOM 1118 CD LYS A 140 -0.540 19.179 8.107 1.00 15.21 C ATOM 1119 CE LYS A 140 -1.063 19.825 9.347 1.00 56.71 C ATOM 1120 NZ LYS A 140 -2.412 20.266 8.908 1.00 46.84 N ATOM 1121 N ASP A 141 2.277 22.731 6.810 1.00 7.92 N ATOM 1122 CA ASP A 141 2.139 24.103 7.297 1.00 6.97 C ATOM 1123 C ASP A 141 2.518 25.115 6.222 1.00 8.75 C ATOM 1124 O ASP A 141 1.955 26.243 6.100 1.00 8.28 O ATOM 1125 CB ASP A 141 2.822 24.230 8.686 1.00 5.52 C ATOM 1126 CG ASP A 141 2.083 23.604 9.834 1.00 11.09 C ATOM 1127 OD1 ASP A 141 0.905 23.075 9.605 1.00 11.99 O ATOM 1128 OD2 ASP A 141 2.546 23.598 10.948 1.00 12.69 O ATOM 1129 N ILE A 142 3.585 24.841 5.539 1.00 7.39 N ATOM 1130 CA ILE A 142 3.968 25.820 4.517 1.00 10.50 C ATOM 1131 C ILE A 142 2.895 25.768 3.384 1.00 6.70 C ATOM 1132 O ILE A 142 2.645 26.842 2.821 1.00 6.44 O ATOM 1133 CB ILE A 142 5.388 25.407 3.890 1.00 9.07 C ATOM 1134 CG1 ILE A 142 6.529 25.602 4.798 1.00 19.64 C ATOM 1135 CG2 ILE A 142 5.505 26.115 2.539 1.00 15.34 C ATOM 1136 CD1 ILE A 142 7.176 27.006 4.774 1.00 39.13 C ATOM 1137 N ALA A 143 2.410 24.582 3.027 1.00 7.13 N ATOM 1138 CA ALA A 143 1.403 24.433 1.954 1.00 10.09 C ATOM 1139 C ALA A 143 0.171 25.295 2.295 1.00 8.76 C ATOM 1140 O ALA A 143 -0.375 25.962 1.409 1.00 7.82 O ATOM 1141 CB ALA A 143 1.009 22.957 1.743 1.00 10.77 C ATOM 1142 N ALA A 144 -0.168 25.426 3.539 1.00 8.32 N ATOM 1143 CA ALA A 144 -1.409 26.135 4.032 1.00 8.98 C ATOM 1144 C ALA A 144 -1.141 27.560 3.740 1.00 9.71 C ATOM 1145 O ALA A 144 -1.975 28.451 3.289 1.00 9.24 O ATOM 1146 CB ALA A 144 -1.729 25.902 5.394 1.00 9.16 C ATOM 1147 N LYS A 145 0.088 28.120 3.998 1.00 7.85 N ATOM 1148 CA LYS A 145 0.430 29.444 3.764 1.00 6.68 C ATOM 1149 C LYS A 145 0.553 29.809 2.286 1.00 6.46 C ATOM 1150 O LYS A 145 0.162 30.963 1.809 1.00 12.07 O ATOM 1151 CB LYS A 145 1.792 29.743 4.292 1.00 12.82 C ATOM 1152 CG LYS A 145 1.778 30.105 5.697 1.00 26.42 C ATOM 1153 CD LYS A 145 1.031 29.605 6.854 1.00 41.84 C ATOM 1154 CE LYS A 145 1.615 28.345 7.726 1.00 26.18 C ATOM 1155 NZ LYS A 145 0.554 27.281 8.130 1.00 18.68 N ATOM 1156 N TYR A 146 1.086 28.971 1.461 1.00 8.45 N ATOM 1157 CA TYR A 146 1.077 29.108 0.020 1.00 6.39 C ATOM 1158 C TYR A 146 -0.438 29.269 -0.438 1.00 11.11 C ATOM 1159 O TYR A 146 -0.677 30.066 -1.345 1.00 11.77 O ATOM 1160 CB TYR A 146 1.712 27.820 -0.575 1.00 8.23 C ATOM 1161 CG TYR A 146 3.261 27.711 -0.735 1.00 8.63 C ATOM 1162 CD1 TYR A 146 3.836 26.917 -1.651 1.00 12.60 C ATOM 1163 CD2 TYR A 146 4.104 28.398 0.149 1.00 10.70 C ATOM 1164 CE1 TYR A 146 5.172 26.826 -1.838 1.00 16.83 C ATOM 1165 CE2 TYR A 146 5.474 28.329 -0.014 1.00 12.08 C ATOM 1166 CZ TYR A 146 5.983 27.608 -0.994 1.00 13.26 C ATOM 1167 OH TYR A 146 7.359 27.563 -1.233 1.00 13.74 O ATOM 1168 N LYS A 147 -1.287 28.364 0.040 1.00 11.17 N ATOM 1169 CA LYS A 147 -2.690 28.479 -0.456 1.00 9.20 C ATOM 1170 C LYS A 147 -3.232 29.819 -0.158 1.00 18.22 C ATOM 1171 O LYS A 147 -3.957 30.357 -1.077 1.00 16.84 O ATOM 1172 CB LYS A 147 -3.418 27.302 0.198 1.00 11.80 C ATOM 1173 CG LYS A 147 -4.871 27.195 -0.374 1.00 19.05 C ATOM 1174 CD LYS A 147 -5.720 26.216 0.518 1.00 20.14 C ATOM 1175 CE LYS A 147 -7.272 26.315 -0.065 1.00 29.30 C ATOM 1176 NZ LYS A 147 -6.970 25.509 -1.216 1.00 46.29 N ATOM 1177 N GLU A 148 -3.109 30.305 1.029 1.00 12.42 N ATOM 1178 CA GLU A 148 -3.560 31.582 1.378 1.00 9.30 C ATOM 1179 C GLU A 148 -3.055 32.639 0.416 1.00 15.41 C ATOM 1180 O GLU A 148 -3.856 33.503 -0.074 1.00 17.06 O ATOM 1181 CB GLU A 148 -3.081 31.986 2.728 1.00 7.81 C ATOM 1182 CG GLU A 148 -3.416 33.326 3.367 1.00 15.14 C ATOM 1183 CD GLU A 148 -2.790 33.676 4.709 1.00 23.63 C ATOM 1184 OE1 GLU A 148 -2.754 34.901 4.859 1.00 23.31 O ATOM 1185 OE2 GLU A 148 -2.239 32.794 5.439 1.00 25.07 O ATOM 1186 N LEU A 149 -1.739 32.744 0.115 1.00 8.88 N ATOM 1187 CA LEU A 149 -1.122 33.656 -0.757 1.00 13.42 C ATOM 1188 C LEU A 149 -1.525 33.396 -2.206 1.00 9.65 C ATOM 1189 O LEU A 149 -1.087 34.133 -3.092 1.00 16.86 O ATOM 1190 CB LEU A 149 0.430 33.597 -0.575 1.00 11.06 C ATOM 1191 CG LEU A 149 0.785 34.104 0.749 1.00 21.25 C ATOM 1192 CD1 LEU A 149 2.326 33.757 0.905 1.00 20.83 C ATOM 1193 CD2 LEU A 149 0.484 35.692 0.909 1.00 25.71 C ATOM 1194 N GLY A 150 -2.145 32.275 -2.676 1.00 8.49 N ATOM 1195 CA GLY A 150 -2.455 31.972 -4.062 1.00 8.29 C ATOM 1196 C GLY A 150 -1.348 31.501 -4.860 1.00 9.37 C ATOM 1197 O GLY A 150 -1.372 31.482 -6.102 1.00 12.24 O ATOM 1198 N TYR A 151 -0.324 30.717 -4.220 1.00 15.48 N ATOM 1199 CA TYR A 151 0.798 30.157 -5.010 1.00 14.13 C ATOM 1200 C TYR A 151 0.582 28.667 -5.119 1.00 21.10 C ATOM 1201 O TYR A 151 0.221 27.989 -4.155 1.00 30.05 O ATOM 1202 CB TYR A 151 2.113 30.404 -4.291 1.00 15.77 C ATOM 1203 CG ATYR A 151 3.401 29.793 -4.946 0.50 20.62 C ATOM 1204 CG BTYR A 151 2.372 31.533 -4.657 0.50 26.03 C ATOM 1205 CD1ATYR A 151 4.205 28.936 -4.246 0.50 21.83 C ATOM 1206 CD1BTYR A 151 3.205 32.069 -5.826 0.50 27.93 C ATOM 1207 CD2ATYR A 151 3.645 30.055 -6.268 0.50 27.67 C ATOM 1208 CD2BTYR A 151 1.910 32.730 -3.864 0.50 24.90 C ATOM 1209 CE1ATYR A 151 5.313 28.313 -4.919 0.50 18.09 C ATOM 1210 CE1BTYR A 151 3.612 33.408 -6.050 0.50 17.56 C ATOM 1211 CE2ATYR A 151 4.754 29.460 -6.903 0.50 24.89 C ATOM 1212 CE2BTYR A 151 2.179 34.312 -4.157 0.50 23.64 C ATOM 1213 CZ ATYR A 151 5.576 28.573 -6.228 0.50 26.64 C ATOM 1214 CZ BTYR A 151 3.185 34.178 -5.228 0.50 24.91 C ATOM 1215 OH ATYR A 151 6.566 27.988 -6.900 0.50 31.60 O ATOM 1216 OH BTYR A 151 3.310 35.655 -5.612 0.50 24.18 O ATOM 1217 N GLN A 152 0.876 28.164 -6.340 1.00 33.40 N ATOM 1218 CA GLN A 152 0.550 26.719 -6.804 1.00 52.57 C ATOM 1219 C GLN A 152 -0.299 25.763 -5.973 1.00 55.61 C ATOM 1220 O GLN A 152 0.296 24.990 -5.217 1.00 44.01 O ATOM 1221 CB GLN A 152 1.805 25.960 -7.310 1.00 39.10 C ATOM 1222 CG GLN A 152 3.024 26.262 -6.486 1.00 53.44 C ATOM 1223 CD GLN A 152 3.202 25.163 -5.460 1.00 54.51 C ATOM 1224 OE1 GLN A 152 3.505 24.009 -5.722 1.00 40.29 O ATOM 1225 NE2 GLN A 152 3.176 25.412 -4.252 1.00 54.83 N ATOM 1226 N GLY A 153 -1.613 25.860 -6.165 1.00 49.57 N ATOM 1227 CA GLY A 153 -2.504 24.983 -5.413 1.00 35.69 C ATOM 1228 C GLY A 153 -3.411 24.257 -6.427 1.00 46.14 C ATOM 1229 O GLY A 153 -3.849 23.112 -6.136 1.00 51.03 O ATOM 1230 OXT GLY A 153 -3.627 24.845 -7.563 1.00 44.30 O TER 1231 GLY A 153 HETATM 1232 S SO4 A 154 32.790 29.841 -4.722 1.00 9.85 S HETATM 1233 O1 SO4 A 154 32.291 30.209 -3.438 1.00 13.65 O HETATM 1234 O2 SO4 A 154 33.323 30.843 -5.577 1.00 14.38 O HETATM 1235 O3 SO4 A 154 31.644 29.141 -5.500 1.00 15.83 O HETATM 1236 O4 SO4 A 154 33.810 28.815 -4.624 1.00 14.90 O HETATM 1237 CHA HEM A 155 16.869 31.030 0.421 1.00 4.49 C HETATM 1238 CHB HEM A 155 15.626 27.850 4.026 1.00 4.95 C HETATM 1239 CHC HEM A 155 14.216 24.682 0.674 1.00 5.90 C HETATM 1240 CHD HEM A 155 15.581 27.805 -2.763 1.00 8.24 C HETATM 1241 C1A HEM A 155 16.709 30.487 1.660 1.00 4.49 C HETATM 1242 C2A HEM A 155 16.890 31.086 2.972 1.00 7.65 C HETATM 1243 C3A HEM A 155 16.554 30.238 4.011 1.00 8.02 C HETATM 1244 C4A HEM A 155 16.079 28.950 3.366 1.00 5.40 C HETATM 1245 CMA HEM A 155 16.567 30.474 5.544 1.00 7.07 C HETATM 1246 CAA HEM A 155 17.347 32.488 3.128 1.00 11.63 C HETATM 1247 CBA HEM A 155 16.236 33.467 3.630 1.00 12.42 C HETATM 1248 CGA HEM A 155 15.122 33.606 2.556 1.00 10.90 C HETATM 1249 O1A HEM A 155 15.296 34.151 1.479 1.00 16.94 O HETATM 1250 O2A HEM A 155 14.061 33.141 3.071 1.00 19.48 O HETATM 1251 C1B HEM A 155 15.113 26.751 3.376 1.00 6.04 C HETATM 1252 C2B HEM A 155 14.652 25.566 4.108 1.00 9.64 C HETATM 1253 C3B HEM A 155 14.334 24.622 3.118 1.00 7.61 C HETATM 1254 C4B HEM A 155 14.486 25.320 1.851 1.00 6.80 C HETATM 1255 CMB HEM A 155 14.636 25.489 5.667 1.00 9.93 C HETATM 1256 CAB HEM A 155 13.893 23.203 3.384 1.00 4.76 C HETATM 1257 CBB HEM A 155 14.411 22.459 4.394 1.00 5.13 C HETATM 1258 C1C HEM A 155 14.487 25.253 -0.582 1.00 7.17 C HETATM 1259 C2C HEM A 155 14.360 24.555 -1.816 1.00 6.45 C HETATM 1260 C3C HEM A 155 14.819 25.393 -2.879 1.00 7.08 C HETATM 1261 C4C HEM A 155 15.096 26.652 -2.143 1.00 6.26 C HETATM 1262 CMC HEM A 155 13.917 23.085 -1.874 1.00 12.02 C HETATM 1263 CAC HEM A 155 14.921 25.111 -4.367 1.00 7.44 C HETATM 1264 CBC HEM A 155 14.637 23.948 -5.000 1.00 8.37 C HETATM 1265 C1D HEM A 155 16.063 29.003 -2.139 1.00 8.36 C HETATM 1266 C2D HEM A 155 16.580 30.136 -2.942 1.00 7.97 C HETATM 1267 C3D HEM A 155 16.998 30.983 -1.986 1.00 6.63 C HETATM 1268 C4D HEM A 155 16.683 30.414 -0.714 1.00 4.36 C HETATM 1269 CMD HEM A 155 16.619 30.235 -4.451 1.00 9.71 C HETATM 1270 CAD HEM A 155 17.689 32.316 -2.210 1.00 8.01 C HETATM 1271 CBD HEM A 155 19.230 32.063 -2.306 1.00 14.06 C HETATM 1272 CGD HEM A 155 20.063 33.291 -2.723 1.00 12.58 C HETATM 1273 O1D HEM A 155 20.026 33.709 -3.846 1.00 18.39 O HETATM 1274 O2D HEM A 155 20.619 33.815 -1.805 1.00 19.20 O HETATM 1275 NA HEM A 155 16.206 29.133 1.939 1.00 7.65 N HETATM 1276 NB HEM A 155 14.910 26.616 2.009 1.00 8.21 N HETATM 1277 NC HEM A 155 14.938 26.541 -0.791 1.00 8.58 N HETATM 1278 ND HEM A 155 16.160 29.164 -0.837 1.00 9.52 N HETATM 1279 FE HEM A 155 15.271 27.962 0.622 1.00 7.86 FE HETATM 1280 O HOH A 156 6.614 12.297 3.293 1.00 20.01 O HETATM 1281 O HOH A 157 -3.763 32.079 9.321 1.00 29.60 O HETATM 1282 O HOH A 158 16.335 14.894 -3.556 1.00 21.49 O HETATM 1283 O HOH A 159 23.959 8.317 20.879 1.00 27.30 O HETATM 1284 O HOH A 160 25.707 31.544 -11.177 1.00 17.94 O HETATM 1285 O HOH A 161 14.334 31.551 -7.662 1.00 19.63 O HETATM 1286 O HOH A 162 17.810 32.510 -7.544 1.00 20.51 O HETATM 1287 O HOH A 163 20.102 32.097 -6.066 1.00 19.97 O HETATM 1288 O HOH A 164 14.242 27.161 17.945 1.00 25.83 O HETATM 1289 O HOH A 165 -1.862 28.568 7.987 1.00 34.77 O HETATM 1290 O HOH A 166 12.541 15.548 -10.535 1.00 17.22 O HETATM 1291 O HOH A 167 -1.745 32.554 10.910 1.00 40.78 O HETATM 1292 O HOH A 168 15.150 3.388 19.011 1.00 33.06 O HETATM 1293 O HOH A 169 15.377 34.091 -5.556 1.00 27.19 O HETATM 1294 O HOH A 170 -5.557 33.758 13.103 1.00 33.78 O HETATM 1295 O HOH A 171 -0.567 34.908 9.181 1.00 39.51 O HETATM 1296 O HOH A 172 8.533 6.215 14.457 1.00 15.32 O HETATM 1297 O HOH A 173 24.812 7.283 0.413 1.00 35.56 O HETATM 1298 O HOH A 174 7.873 24.347 21.586 1.00 29.72 O HETATM 1299 O HOH A 175 4.414 25.873 24.849 1.00 40.09 O HETATM 1300 O HOH A 176 -0.832 24.075 20.170 1.00 39.46 O HETATM 1301 O HOH A 177 -1.250 24.773 9.109 1.00 25.70 O HETATM 1302 O HOH A 178 -1.189 27.308 11.456 1.00 38.15 O HETATM 1303 O HOH A 179 15.963 10.784 -4.703 1.00 42.09 O HETATM 1304 O HOH A 180 -5.946 36.034 12.378 1.00 35.46 O HETATM 1305 O HOH A 181 26.463 15.640 18.685 1.00 21.49 O HETATM 1306 O HOH A 182 28.791 22.055 12.897 1.00 25.77 O HETATM 1307 O HOH A 183 29.781 23.391 10.177 1.00 22.88 O HETATM 1308 O HOH A 184 30.543 16.723 2.440 1.00 20.26 O HETATM 1309 O HOH A 185 19.415 9.719 -7.082 1.00 31.52 O HETATM 1310 O HOH A 186 21.095 11.104 -10.104 1.00 37.15 O HETATM 1311 O HOH A 187 22.110 14.742 -12.451 1.00 29.60 O HETATM 1312 O HOH A 188 22.292 18.550 -11.795 1.00 25.07 O HETATM 1313 O HOH A 189 14.658 15.665 -12.548 1.00 18.20 O HETATM 1314 O HOH A 190 10.247 14.474 -10.723 1.00 22.67 O HETATM 1315 O HOH A 191 16.984 31.149 -12.494 1.00 32.98 O HETATM 1316 O HOH A 192 32.283 15.391 -10.781 1.00 12.38 O HETATM 1317 O HOH A 193 34.512 15.928 -11.922 1.00 18.94 O HETATM 1318 O HOH A 194 35.478 24.969 3.325 1.00 18.87 O HETATM 1319 O HOH A 195 -1.536 21.480 17.811 1.00 46.31 O HETATM 1320 O HOH A 196 5.208 30.614 17.129 1.00 35.16 O HETATM 1321 O HOH A 197 2.306 26.489 12.029 1.00 22.36 O HETATM 1322 O HOH A 198 4.201 21.367 -5.969 1.00 15.02 O HETATM 1323 O HOH A 199 9.982 37.912 -6.696 1.00 44.26 O HETATM 1324 O HOH A 200 9.465 9.621 2.942 1.00 34.28 O HETATM 1325 O HOH A 201 28.529 13.104 10.120 1.00 25.13 O HETATM 1326 O HOH A 202 32.566 14.521 9.927 1.00 41.94 O HETATM 1327 O HOH A 203 36.373 15.009 11.138 1.00 28.65 O HETATM 1328 O HOH A 204 28.053 14.487 12.571 1.00 15.81 O HETATM 1329 O HOH A 205 20.984 1.289 8.474 1.00 35.08 O HETATM 1330 O HOH A 206 20.144 0.985 13.598 1.00 37.20 O HETATM 1331 O HOH A 207 21.909 35.815 -8.302 1.00 30.79 O HETATM 1332 O HOH A 208 12.984 25.307 21.572 1.00 26.52 O HETATM 1333 O HOH A 209 30.834 9.334 0.097 1.00 42.65 O HETATM 1334 O HOH A 210 27.568 9.702 3.080 1.00 30.38 O HETATM 1335 O HOH A 211 18.787 12.989 22.824 1.00 22.50 O HETATM 1336 O HOH A 212 22.275 13.146 20.169 1.00 19.02 O HETATM 1337 O HOH A 213 8.542 21.959 14.429 1.00 16.21 O HETATM 1338 O HOH A 214 -3.142 18.484 19.552 1.00 34.08 O HETATM 1339 O HOH A 215 -4.248 17.570 16.526 1.00 35.99 O HETATM 1340 O HOH A 216 0.963 19.258 20.233 1.00 43.36 O HETATM 1341 O HOH A 217 27.354 36.199 4.150 1.00 28.11 O HETATM 1342 O HOH A 218 17.723 35.091 0.797 1.00 21.25 O HETATM 1343 O HOH A 219 16.563 0.914 8.763 1.00 19.95 O HETATM 1344 O HOH A 220 21.798 25.983 -17.138 1.00 35.66 O HETATM 1345 O HOH A 221 0.783 26.939 -7.379 1.00 38.47 O HETATM 1346 O HOH A 222 16.438 33.204 -12.611 1.00 37.56 O HETATM 1347 O HOH A 223 14.251 12.294 -4.496 1.00 28.73 O HETATM 1348 O HOH A 224 22.341 31.854 2.608 1.00 35.34 O HETATM 1349 O HOH A 225 13.509 5.714 5.519 1.00 19.76 O HETATM 1350 O HOH A 226 18.443 30.670 11.339 1.00 26.05 O HETATM 1351 O HOH A 227 15.709 -0.224 11.868 1.00 22.19 O HETATM 1352 O HOH A 228 33.011 32.027 -1.550 1.00 20.22 O HETATM 1353 O HOH A 229 1.529 16.675 8.767 1.00 15.80 O HETATM 1354 O HOH A 230 2.743 32.764 3.500 1.00 43.93 O HETATM 1355 O HOH A 231 13.172 33.339 5.515 1.00 27.02 O HETATM 1356 O HOH A 232 7.589 19.711 -9.812 1.00 25.27 O HETATM 1357 O HOH A 233 26.410 34.586 -11.942 1.00 21.57 O HETATM 1358 O HOH A 234 7.496 35.881 12.319 1.00 24.82 O HETATM 1359 O HOH A 235 16.780 6.334 4.774 1.00 27.25 O HETATM 1360 O HOH A 236 14.297 5.431 1.499 1.00 24.53 O HETATM 1361 O HOH A 237 31.050 21.943 14.659 1.00 28.61 O HETATM 1362 O HOH A 238 19.837 22.299 21.026 1.00 17.95 O HETATM 1363 O HOH A 239 17.562 6.870 17.619 1.00 39.50 O HETATM 1364 O HOH A 240 2.275 22.640 13.908 1.00 22.36 O HETATM 1365 O HOH A 241 26.511 23.240 3.756 1.00 16.09 O HETATM 1366 O HOH A 242 12.082 7.955 21.657 1.00 27.52 O HETATM 1367 O HOH A 243 10.454 6.907 23.721 1.00 33.68 O HETATM 1368 O HOH A 244 28.846 8.459 5.779 1.00 35.78 O HETATM 1369 O HOH A 245 6.454 8.756 8.741 1.00 20.12 O HETATM 1370 O HOH A 246 -5.064 25.047 3.598 1.00 26.33 O HETATM 1371 O HOH A 247 15.067 9.533 1.055 1.00 21.11 O HETATM 1372 O HOH A 248 2.544 26.185 14.662 1.00 28.52 O HETATM 1373 O HOH A 249 19.509 25.894 14.293 1.00 19.87 O HETATM 1374 O HOH A 250 28.821 27.033 -16.341 1.00 31.13 O HETATM 1375 O HOH A 251 24.269 11.170 -13.957 1.00 45.25 O HETATM 1376 O HOH A 252 -4.751 27.598 3.686 1.00 18.12 O HETATM 1377 O HOH A 253 16.991 12.050 -2.599 1.00 28.85 O HETATM 1378 O HOH A 254 3.282 12.496 23.404 1.00 25.08 O HETATM 1379 O HOH A 255 29.496 12.570 3.023 1.00 36.31 O HETATM 1380 O HOH A 256 9.115 12.515 -4.209 1.00 25.77 O HETATM 1381 O HOH A 257 12.436 29.642 9.087 1.00 18.97 O HETATM 1382 O HOH A 258 25.469 14.187 -1.766 1.00 19.07 O HETATM 1383 O HOH A 259 16.489 13.973 -13.254 1.00 22.43 O HETATM 1384 O HOH A 260 2.730 14.803 -5.790 1.00 21.54 O HETATM 1385 O HOH A 261 19.325 30.406 8.580 1.00 14.30 O HETATM 1386 O HOH A 262 3.701 17.492 18.107 1.00 27.92 O HETATM 1387 O HOH A 263 30.632 32.819 -0.102 1.00 22.75 O HETATM 1388 O HOH A 264 19.659 2.384 10.091 1.00 28.46 O HETATM 1389 O HOH A 265 3.277 17.918 16.068 1.00 28.63 O HETATM 1390 O HOH A 266 18.854 2.370 15.709 1.00 27.09 O HETATM 1391 O HOH A 267 18.651 18.700 18.265 1.00 15.22 O HETATM 1392 O HOH A 268 34.747 19.042 -12.563 1.00 18.95 O HETATM 1393 O HOH A 269 36.150 34.911 -0.542 1.00 22.38 O HETATM 1394 O HOH A 270 26.142 35.469 5.462 1.00 26.15 O HETATM 1395 O HOH A 271 22.115 36.081 -1.775 1.00 23.90 O HETATM 1396 O HOH A 272 20.896 20.303 19.346 1.00 23.17 O HETATM 1397 O HOH A 273 17.105 4.547 15.609 1.00 26.92 O HETATM 1398 O HOH A 274 -1.818 22.094 4.245 1.00 17.64 O HETATM 1399 O HOH A 275 9.564 37.815 0.879 1.00 29.13 O HETATM 1400 O HOH A 276 7.250 37.637 7.120 1.00 18.14 O HETATM 1401 O HOH A 277 -2.849 23.501 2.041 1.00 22.04 O HETATM 1402 O HOH A 278 -5.180 24.636 6.512 1.00 26.11 O HETATM 1403 O HOH A 279 31.644 24.338 -15.347 1.00 38.31 O HETATM 1404 O HOH A 280 35.005 25.132 -0.524 1.00 17.63 O HETATM 1405 O HOH A 281 33.229 25.478 -7.803 1.00 21.46 O HETATM 1406 O HOH A 282 0.498 9.840 11.666 1.00 32.82 O HETATM 1407 O HOH A 283 14.967 10.788 13.550 1.00 23.70 O HETATM 1408 O HOH A 284 25.126 11.421 1.336 1.00 22.16 O HETATM 1409 O HOH A 285 15.256 11.810 -9.604 1.00 32.37 O HETATM 1410 O HOH A 286 26.951 11.465 -11.241 1.00 22.51 O HETATM 1411 O HOH A 287 26.419 12.378 -8.192 1.00 32.16 O HETATM 1412 O HOH A 288 6.797 28.190 -9.461 1.00 29.41 O HETATM 1413 O HOH A 289 30.314 12.439 -9.641 1.00 17.29 O HETATM 1414 O HOH A 290 9.603 12.800 -8.062 1.00 40.03 O HETATM 1415 O HOH A 291 9.119 13.941 4.085 1.00 20.29 O HETATM 1416 O HOH A 292 25.944 13.577 -14.818 1.00 27.08 O HETATM 1417 O HOH A 293 7.081 30.010 16.701 1.00 17.04 O HETATM 1418 O HOH A 294 3.012 15.771 22.302 1.00 45.21 O HETATM 1419 O HOH A 295 3.967 17.197 25.325 1.00 33.65 O HETATM 1420 O HOH A 296 27.487 31.848 -5.356 1.00 24.61 O HETATM 1421 O HOH A 297 22.877 32.413 7.017 1.00 26.27 O HETATM 1422 O HOH A 298 13.854 29.015 11.100 1.00 22.23 O HETATM 1423 O HOH A 299 31.561 35.729 -0.285 1.00 22.48 O HETATM 1424 O HOH A 300 3.219 15.071 10.342 1.00 10.41 O HETATM 1425 O HOH A 301 13.454 30.525 16.978 1.00 19.47 O HETATM 1426 O HOH A 302 34.753 13.991 -0.114 1.00 26.72 O HETATM 1427 O HOH A 303 30.122 22.879 -1.458 1.00 19.36 O HETATM 1428 O HOH A 304 2.413 13.039 8.715 1.00 22.76 O HETATM 1429 O HOH A 305 31.119 28.214 3.649 1.00 24.21 O HETATM 1430 O HOH A 306 24.637 11.626 -1.597 1.00 37.75 O HETATM 1431 O HOH A 307 1.498 26.617 18.431 1.00 34.88 O HETATM 1432 O HOH A 308 18.649 26.005 16.626 1.00 27.13 O HETATM 1433 O HOH A 309 33.097 26.101 -11.028 1.00 20.64 O HETATM 1434 O HOH A 310 24.201 9.510 -3.125 1.00 35.73 O HETATM 1435 O HOH A 311 29.125 8.940 9.923 1.00 31.00 O HETATM 1436 O HOH A 312 11.183 24.665 22.016 1.00 26.16 O HETATM 1437 O HOH A 313 6.830 8.169 13.524 1.00 18.36 O HETATM 1438 O HOH A 314 5.750 7.472 11.247 1.00 33.33 O HETATM 1439 O HOH A 315 -3.417 22.855 6.537 1.00 24.86 O HETATM 1440 O HOH A 316 8.705 7.082 6.320 1.00 28.01 O HETATM 1441 O HOH A 317 1.868 22.013 17.143 1.00 34.27 O HETATM 1442 O HOH A 318 32.431 21.727 18.799 1.00 28.98 O HETATM 1443 O HOH A 319 -0.459 21.950 21.430 1.00 31.50 O HETATM 1444 O HOH A 320 23.998 5.897 -3.391 1.00 25.90 O HETATM 1445 O HOH A 321 7.324 36.337 -0.016 1.00 36.67 O HETATM 1446 O HOH A 322 24.556 20.821 -13.173 1.00 23.13 O HETATM 1447 O HOH A 323 36.585 20.302 -11.063 1.00 20.48 O HETATM 1448 O HOH A 324 3.409 19.746 -7.973 1.00 33.60 O HETATM 1449 O HOH A 325 36.661 20.078 -3.127 1.00 20.29 O HETATM 1450 O HOH A 326 -0.683 19.819 13.005 1.00 26.66 O HETATM 1451 O HOH A 327 1.613 19.885 15.134 1.00 21.59 O HETATM 1452 O HOH A 328 30.818 19.003 1.112 1.00 18.28 O HETATM 1453 O HOH A 329 23.763 19.043 16.238 1.00 35.01 O HETATM 1454 O HOH A 330 32.787 18.412 6.618 1.00 24.92 O HETATM 1455 O HOH A 331 29.428 17.214 -0.128 1.00 35.64 O HETATM 1456 O HOH A 332 26.380 16.373 -12.019 1.00 26.01 O HETATM 1457 O HOH A 333 25.914 32.016 -13.793 1.00 25.57 O HETATM 1458 O HOH A 334 -0.775 15.539 8.739 1.00 25.09 O HETATM 1459 O HOH A 335 -5.284 15.897 10.751 1.00 27.81 O HETATM 1460 O HOH A 336 5.168 16.264 21.708 1.00 25.01 O HETATM 1461 O HOH A 337 21.898 11.937 -7.007 1.00 28.37 O HETATM 1462 O HOH A 338 16.378 9.354 -1.734 1.00 26.49 O HETATM 1463 O HOH A 339 12.259 9.243 2.148 1.00 23.67 O HETATM 1464 O HOH A 340 17.333 9.047 16.934 1.00 14.72 O HETATM 1465 O HOH A 341 16.106 7.119 2.432 1.00 28.30 O HETATM 1466 O HOH A 342 10.001 5.579 4.251 1.00 16.87 O HETATM 1467 O HOH A 343 20.191 33.790 0.691 1.00 16.01 O HETATM 1468 O HOH A 344 22.846 1.430 17.192 1.00 31.61 O HETATM 1469 O HOH A 345 14.014 31.494 7.680 1.00 17.23 O HETATM 1470 O HOH A 346 14.717 31.385 14.609 1.00 29.06 O HETATM 1471 O HOH A 347 4.381 38.044 -5.052 1.00 27.00 O HETATM 1472 O HOH A 348 17.797 25.356 -0.434 1.00 20.97 O HETATM 1473 O HOH A 349 25.905 5.382 13.510 1.00 26.38 O HETATM 1474 O HOH A 350 23.375 5.609 16.923 1.00 47.72 O HETATM 1475 O HOH A 351 8.251 5.477 17.170 1.00 39.94 O HETATM 1476 O HOH A 352 24.973 7.304 14.840 1.00 30.67 O HETATM 1477 O HOH A 353 3.380 8.407 6.583 1.00 46.87 O HETATM 1478 O HOH A 354 26.363 11.829 2.873 1.00 45.08 O HETATM 1479 O HOH A 355 11.690 12.651 -3.693 1.00 34.55 O HETATM 1480 O HOH A 356 15.185 13.865 -3.267 1.00 46.49 O HETATM 1481 O HOH A 357 31.562 15.972 5.968 1.00 30.66 O HETATM 1482 O HOH A 358 -3.428 16.984 8.878 1.00 39.81 O HETATM 1483 O HOH A 359 2.828 18.318 26.892 1.00 48.36 O HETATM 1484 O HOH A 360 3.616 19.843 18.511 1.00 42.82 O HETATM 1485 O HOH A 361 8.011 20.389 11.693 1.00 34.64 O HETATM 1486 O HOH A 362 20.569 24.621 21.035 1.00 38.85 O HETATM 1487 O HOH A 363 29.998 27.823 9.877 1.00 48.97 O HETATM 1488 O HOH A 364 21.357 28.159 18.269 1.00 49.45 O HETATM 1489 O HOH A 365 2.199 27.954 10.405 1.00 35.90 O HETATM 1490 O HOH A 366 3.329 30.761 10.011 1.00 38.99 O HETATM 1491 O HOH A 367 14.344 31.351 24.396 1.00 74.15 O HETATM 1492 O HOH A 368 18.224 31.214 23.281 1.00 72.03 O HETATM 1493 O HOH A 369 20.174 31.130 18.362 1.00 63.62 O HETATM 1494 O HOH A 370 22.672 30.893 18.406 1.00 69.68 O HETATM 1495 O HOH A 371 29.898 30.876 13.864 1.00 73.11 O HETATM 1496 O HOH A 372 22.026 30.805 14.401 1.00 71.53 O HETATM 1497 O HOH A 373 17.685 30.701 13.368 1.00 62.25 O HETATM 1498 O HOH A 374 24.063 30.192 10.949 1.00 58.92 O HETATM 1499 O HOH A 375 23.642 30.754 8.765 1.00 63.02 O HETATM 1500 O HOH A 376 24.089 30.265 14.477 1.00 68.97 O HETATM 1501 O HOH A 377 33.897 30.595 16.952 1.00 69.64 O HETATM 1502 O HOH A 378 34.062 30.189 20.065 1.00 62.82 O HETATM 1503 O HOH A 379 1.662 30.251 11.845 1.00 68.16 O HETATM 1504 O HOH A 380 3.754 29.418 19.998 1.00 63.39 O HETATM 1505 O HOH A 381 26.536 29.886 18.978 1.00 69.09 O HETATM 1506 O HOH A 382 13.851 30.390 19.935 1.00 78.91 O HETATM 1507 O HOH A 383 26.567 29.707 10.846 1.00 56.04 O HETATM 1508 O HOH A 384 -2.486 29.727 20.349 1.00 68.33 O HETATM 1509 O HOH A 385 17.321 29.669 20.224 1.00 63.00 O HETATM 1510 O HOH A 386 -3.644 29.035 8.751 1.00 73.02 O HETATM 1511 O HOH A 387 6.834 29.030 19.729 1.00 69.18 O HETATM 1512 O HOH A 388 15.363 30.052 21.557 1.00 65.04 O HETATM 1513 O HOH A 389 19.872 29.550 14.442 1.00 77.84 O HETATM 1514 O HOH A 390 16.303 28.906 17.804 1.00 66.17 O HETATM 1515 O HOH A 391 14.273 28.721 22.147 1.00 64.95 O HETATM 1516 O HOH A 392 34.833 28.527 18.836 1.00 70.11 O HETATM 1517 O HOH A 393 -0.703 28.591 15.585 1.00 70.43 O HETATM 1518 O HOH A 394 24.420 28.325 11.753 1.00 68.53 O HETATM 1519 O HOH A 395 37.738 28.064 21.429 1.00 57.40 O HETATM 1520 O HOH A 396 3.465 27.634 22.346 1.00 68.03 O HETATM 1521 O HOH A 397 0.184 27.426 26.058 1.00 78.36 O HETATM 1522 O HOH A 398 24.027 27.477 14.522 1.00 75.84 O HETATM 1523 O HOH A 399 29.620 27.388 15.236 1.00 75.71 O HETATM 1524 O HOH A 400 10.229 27.148 22.155 1.00 60.93 O HETATM 1525 O HOH A 401 18.922 26.979 14.565 1.00 65.28 O HETATM 1526 O HOH A 402 35.324 27.301 22.069 1.00 66.56 O HETATM 1527 O HOH A 403 30.182 27.443 5.527 1.00 69.02 O HETATM 1528 O HOH A 404 -0.188 26.498 20.586 1.00 62.34 O HETATM 1529 O HOH A 405 -2.002 26.700 18.648 1.00 50.51 O HETATM 1530 O HOH A 406 13.864 26.732 20.145 1.00 62.99 O HETATM 1531 O HOH A 407 33.708 26.566 5.856 1.00 68.88 O HETATM 1532 O HOH A 408 -7.712 26.689 5.268 1.00 60.59 O HETATM 1533 O HOH A 409 21.635 26.825 15.460 1.00 71.57 O HETATM 1534 O HOH A 410 31.841 26.968 16.160 1.00 82.20 O HETATM 1535 O HOH A 411 25.619 25.919 18.887 1.00 59.43 O HETATM 1536 O HOH A 412 31.472 25.907 21.536 1.00 69.90 O HETATM 1537 O HOH A 413 22.622 25.459 20.060 1.00 67.46 O HETATM 1538 O HOH A 414 26.535 25.606 12.427 1.00 62.00 O HETATM 1539 O HOH A 415 31.615 25.804 6.732 1.00 66.95 O HETATM 1540 O HOH A 416 34.620 25.458 20.228 1.00 76.22 O HETATM 1541 O HOH A 417 32.309 25.101 12.671 1.00 76.03 O HETATM 1542 O HOH A 418 1.681 25.068 12.512 1.00 66.14 O HETATM 1543 O HOH A 419 -5.587 25.289 11.575 1.00 47.45 O HETATM 1544 O HOH A 420 13.009 24.812 23.663 1.00 44.70 O HETATM 1545 O HOH A 421 22.951 24.968 22.204 1.00 77.53 O HETATM 1546 O HOH A 422 24.881 24.498 14.932 1.00 68.67 O HETATM 1547 O HOH A 423 35.739 24.569 -8.984 1.00 69.44 O HETATM 1548 O HOH A 424 22.678 24.995 12.786 1.00 71.49 O HETATM 1549 O HOH A 425 21.990 24.676 14.179 1.00 81.04 O HETATM 1550 O HOH A 426 22.532 24.691 17.381 1.00 69.70 O HETATM 1551 O HOH A 427 -3.702 24.099 8.050 1.00 60.48 O HETATM 1552 O HOH A 428 34.261 24.380 16.110 1.00 63.22 O HETATM 1553 O HOH A 429 37.229 24.115 -11.654 1.00 77.06 O HETATM 1554 O HOH A 430 4.145 24.308 25.459 1.00 80.98 O HETATM 1555 O HOH A 431 -5.215 24.104 3.362 1.00 68.52 O HETATM 1556 O HOH A 432 8.509 23.763 23.643 1.00 60.74 O HETATM 1557 O HOH A 433 23.025 23.205 21.961 1.00 75.27 O HETATM 1558 O HOH A 434 26.507 23.354 15.683 1.00 63.42 O HETATM 1559 O HOH A 435 0.916 22.880 26.260 1.00 61.70 O HETATM 1560 O HOH A 436 35.471 23.350 -13.519 1.00 84.13 O HETATM 1561 O HOH A 437 -6.951 23.090 31.901 1.00 63.17 O HETATM 1562 O HOH A 438 20.646 23.421 13.232 1.00 54.96 O HETATM 1563 O HOH A 439 35.473 23.403 21.544 1.00 86.24 O HETATM 1564 O HOH A 440 -7.611 23.185 9.605 1.00 61.20 O HETATM 1565 O HOH A 441 28.448 22.512 15.130 1.00 63.46 O HETATM 1566 O HOH A 442 -3.359 22.607 20.066 1.00 75.25 O HETATM 1567 O HOH A 443 -2.713 22.790 22.986 1.00 69.67 O HETATM 1568 O HOH A 444 9.992 23.089 22.171 1.00 80.86 O HETATM 1569 O HOH A 445 34.410 22.551 -0.185 1.00 53.42 O HETATM 1570 O HOH A 446 -1.700 23.147 8.445 1.00 77.28 O HETATM 1571 O HOH A 447 39.043 23.101 -6.021 1.00 68.18 O HETATM 1572 O HOH A 448 -8.182 22.146 15.905 1.00 68.47 O HETATM 1573 O HOH A 449 33.779 22.054 9.773 1.00 75.55 O HETATM 1574 O HOH A 450 0.016 21.863 13.235 1.00 79.54 O HETATM 1575 O HOH A 451 36.650 22.192 20.099 1.00 89.09 O HETATM 1576 O HOH A 452 -6.136 21.984 25.847 1.00 68.29 O HETATM 1577 O HOH A 453 6.399 21.846 23.977 1.00 62.33 O HETATM 1578 O HOH A 454 34.229 22.055 14.903 1.00 71.79 O HETATM 1579 O HOH A 455 33.415 22.033 7.378 1.00 65.68 O HETATM 1580 O HOH A 456 -5.326 22.145 11.504 1.00 81.48 O HETATM 1581 O HOH A 457 0.034 21.937 29.737 1.00 59.97 O HETATM 1582 O HOH A 458 24.431 21.744 18.708 1.00 50.45 O HETATM 1583 O HOH A 459 36.035 21.619 -8.804 1.00 72.21 O HETATM 1584 O HOH A 460 4.865 21.095 26.265 1.00 54.38 O HETATM 1585 O HOH A 461 2.612 21.570 23.625 1.00 56.08 O HETATM 1586 O HOH A 462 34.371 21.179 17.872 1.00 74.65 O HETATM 1587 O HOH A 463 31.796 21.148 10.807 1.00 64.21 O HETATM 1588 O HOH A 464 34.977 21.008 8.977 1.00 78.16 O HETATM 1589 O HOH A 465 38.610 20.975 -6.890 1.00 76.77 O HETATM 1590 O HOH A 466 22.285 20.386 21.297 1.00 54.73 O HETATM 1591 O HOH A 467 4.709 20.340 23.396 1.00 82.16 O HETATM 1592 O HOH A 468 35.421 20.176 15.027 1.00 73.01 O HETATM 1593 O HOH A 469 32.825 19.687 7.426 1.00 87.40 O HETATM 1594 O HOH A 470 -4.705 20.127 21.098 1.00 62.64 O HETATM 1595 O HOH A 471 -1.306 20.474 22.161 1.00 78.90 O HETATM 1596 O HOH A 472 -1.260 19.417 19.708 1.00 64.35 O HETATM 1597 O HOH A 473 32.933 19.603 17.058 1.00 70.51 O HETATM 1598 O HOH A 474 32.426 19.987 12.237 1.00 59.46 O HETATM 1599 O HOH A 475 37.589 19.367 -7.167 1.00 80.89 O HETATM 1600 O HOH A 476 38.345 19.374 -9.578 1.00 77.04 O HETATM 1601 O HOH A 477 24.958 19.128 19.006 1.00 62.17 O HETATM 1602 O HOH A 478 32.397 19.028 4.076 1.00 74.88 O HETATM 1603 O HOH A 479 -0.733 17.477 30.567 1.00 80.95 O HETATM 1604 O HOH A 480 35.446 18.779 10.210 1.00 78.39 O HETATM 1605 O HOH A 481 35.940 18.963 -2.860 1.00 85.17 O HETATM 1606 O HOH A 482 -3.097 17.689 13.079 1.00 65.13 O HETATM 1607 O HOH A 483 -2.900 18.205 22.146 1.00 59.82 O HETATM 1608 O HOH A 484 -3.609 18.079 29.288 1.00 63.06 O HETATM 1609 O HOH A 485 -0.116 17.740 27.454 1.00 68.34 O HETATM 1610 O HOH A 486 36.203 16.724 4.674 1.00 62.85 O HETATM 1611 O HOH A 487 24.350 16.324 22.206 1.00 83.38 O HETATM 1612 O HOH A 488 3.167 16.270 20.905 1.00 60.08 O HETATM 1613 O HOH A 489 38.252 16.296 14.753 1.00 65.78 O HETATM 1614 O HOH A 490 31.968 16.383 -0.301 1.00 78.54 O HETATM 1615 O HOH A 491 29.103 16.568 -0.525 1.00 54.36 O HETATM 1616 O HOH A 492 32.603 16.410 10.829 1.00 75.17 O HETATM 1617 O HOH A 493 37.748 15.886 -3.426 1.00 75.87 O HETATM 1618 O HOH A 494 15.949 10.330 -6.194 1.00 60.49 O HETATM 1619 O HOH A 495 20.237 9.289 -10.450 1.00 64.94 O HETATM 1620 O HOH A 496 13.970 9.797 -7.763 1.00 65.38 O HETATM 1621 O HOH A 497 20.634 8.944 -6.644 1.00 74.65 O HETATM 1622 O HOH A 498 10.081 8.541 -9.625 1.00 68.84 O HETATM 1623 O HOH A 499 11.544 8.016 5.378 1.00 58.94 O HETATM 1624 O HOH A 500 13.419 8.022 -9.458 1.00 68.73 O HETATM 1625 O HOH A 501 11.828 7.366 0.728 1.00 66.90 O HETATM 1626 O HOH A 502 7.691 7.666 3.977 1.00 63.98 O HETATM 1627 O HOH A 503 21.355 6.879 -4.480 1.00 83.41 O HETATM 1628 O HOH A 504 17.300 7.542 -5.784 1.00 73.53 O HETATM 1629 O HOH A 505 23.530 7.071 24.376 1.00 68.40 O HETATM 1630 O HOH A 506 13.869 6.335 22.939 1.00 69.95 O HETATM 1631 O HOH A 507 19.239 6.297 -8.780 1.00 64.27 O HETATM 1632 O HOH A 508 18.405 6.425 -0.027 1.00 83.58 O HETATM 1633 O HOH A 509 19.486 6.558 -4.971 1.00 74.55 O HETATM 1634 O HOH A 510 21.136 6.398 2.537 1.00 69.38 O HETATM 1635 O HOH A 511 23.162 5.378 1.041 1.00 82.35 O HETATM 1636 O HOH A 512 19.969 5.646 19.288 1.00 74.88 O HETATM 1637 O HOH A 513 20.206 5.034 22.298 1.00 71.37 O HETATM 1638 O HOH A 514 11.247 3.715 26.533 1.00 82.29 O HETATM 1639 O HOH A 515 23.745 3.725 6.160 1.00 50.70 O HETATM 1640 O HOH A 516 13.687 3.974 24.211 1.00 85.51 O HETATM 1641 O HOH A 517 20.621 3.166 18.737 1.00 64.27 O HETATM 1642 O HOH A 518 22.613 3.056 23.547 1.00 84.67 O HETATM 1643 O HOH A 519 21.159 2.749 2.864 1.00 60.89 O HETATM 1644 O HOH A 520 14.635 2.609 28.361 1.00 82.41 O HETATM 1645 O HOH A 521 22.839 2.224 22.225 1.00 72.11 O HETATM 1646 O HOH A 522 14.357 1.550 21.594 1.00 73.05 O HETATM 1647 O HOH A 523 20.603 1.698 11.405 1.00 74.66 O HETATM 1648 O HOH A 524 21.453 0.571 1.724 1.00 63.99 O HETATM 1649 O HOH A 525 -0.283 21.285 11.090 1.00 35.92 O HETATM 1650 O HOH A 526 5.334 20.066 21.258 1.00 38.22 O HETATM 1651 O HOH A 527 9.254 7.747 5.152 1.00 48.34 O HETATM 1652 O HOH A 528 27.059 23.114 -1.284 1.00 39.99 O HETATM 1653 O HOH A 529 32.511 23.105 -16.235 1.00 48.45 O HETATM 1654 O HOH A 530 24.806 38.294 19.306 1.00 47.95 O HETATM 1655 O HOH A 531 18.613 6.071 2.323 1.00 47.60 O HETATM 1656 O HOH A 532 17.738 36.230 -1.767 1.00 47.39 O HETATM 1657 O HOH A 533 27.004 4.891 14.696 1.00 50.69 O HETATM 1658 O HOH A 534 11.920 4.143 19.286 1.00 47.97 O HETATM 1659 O HOH A 535 28.395 18.786 18.288 1.00 35.96 O HETATM 1660 O HOH A 536 1.666 15.787 12.566 1.00 39.17 O HETATM 1661 O HOH A 537 12.062 30.892 -10.389 1.00 49.02 O HETATM 1662 O HOH A 538 -7.140 28.007 7.471 1.00 51.35 O HETATM 1663 O HOH A 539 -2.931 27.300 -5.387 1.00 53.01 O HETATM 1664 O HOH A 540 4.404 9.505 8.173 1.00 48.36 O HETATM 1665 O HOH A 541 11.246 12.295 25.587 1.00 45.66 O HETATM 1666 O HOH A 542 7.041 12.663 -7.315 1.00 41.51 O HETATM 1667 O HOH A 543 12.329 9.222 -0.397 1.00 38.98 O CONECT 746 1279 CONECT 1232 1233 1234 1235 1236 CONECT 1233 1232 CONECT 1234 1232 CONECT 1235 1232 CONECT 1236 1232 CONECT 1237 1241 1268 CONECT 1238 1244 1251 CONECT 1239 1254 1258 CONECT 1240 1261 1265 CONECT 1241 1237 1242 1275 CONECT 1242 1241 1243 1246 CONECT 1243 1242 1244 1245 CONECT 1244 1238 1243 1275 CONECT 1245 1243 CONECT 1246 1242 1247 CONECT 1247 1246 1248 CONECT 1248 1247 1249 1250 CONECT 1249 1248 CONECT 1250 1248 CONECT 1251 1238 1252 1276 CONECT 1252 1251 1253 1255 CONECT 1253 1252 1254 1256 CONECT 1254 1239 1253 1276 CONECT 1255 1252 CONECT 1256 1253 1257 CONECT 1257 1256 CONECT 1258 1239 1259 1277 CONECT 1259 1258 1260 1262 CONECT 1260 1259 1261 1263 CONECT 1261 1240 1260 1277 CONECT 1262 1259 CONECT 1263 1260 1264 CONECT 1264 1263 CONECT 1265 1240 1266 1278 CONECT 1266 1265 1267 1269 CONECT 1267 1266 1268 1270 CONECT 1268 1237 1267 1278 CONECT 1269 1266 CONECT 1270 1267 1271 CONECT 1271 1270 1272 CONECT 1272 1271 1273 1274 CONECT 1273 1272 CONECT 1274 1272 CONECT 1275 1241 1244 1279 CONECT 1276 1251 1254 1279 CONECT 1277 1258 1261 1279 CONECT 1278 1265 1268 1279 CONECT 1279 746 1275 1276 1277 CONECT 1279 1278 MASTER 237 0 2 8 0 0 6 6 1653 1 50 12 END

Tercijarna struktura molekule mioglobina prikazana modelom traka sa istaknutom prostetičkom skupinom hem u čijoj se strukturi u središtu nalazi kation željeza. Molekula mioglobina veže jednu molekulu kisika. Mioglobin ima veći afinitet za vezivanje kisika od hemoglobina.

 se odnosi na proteine koji se sastoje od više polipeptidnih lanaca te definira međusobni prostorni razmještaj tih lanaca. Uz polipeptidne lance koji se nazivaju podjedinice, kvaterna struktura opisuje i neproteinske dijelove poput hema u hemoglobinu te opisuje i njihov prostorni odnos s polipeptidnim jedinicama.

Hemoglobin je protein kvaterne strukture koji se nalazi u eritrocitima, građen od četiri podjedinice; dvije α-podjedinice koje su sastavljene od od 141 aminokiseline i dvije ß-podjedinice sastavljene od 146 aminokiselina te četiri molekule hema. O razlici između mioglobina i hemoglobina pročitajte na mrežnom mjestu 1.

Kvaterna struktura proteina se odnosi na proteine koji se sastoje od više polipeptidnih lanaca

te definira međusobni prostorni razmještaj tih lanaca.

Uz polipeptidne lance koji se nazivaju podjedinice,

kvaterna struktura opisuje i neproteinske dijelove poput hema u hemoglobinu.

Opisuje i njihov prostorni odnos s polipeptidnim jedinicama.

 

Hemoglobin je protein kvaterne strukture koji se nalazi u eritrocitima.

Građen je od četiri podjedinice;

  • dvije α-podjedinice koje su sastavljene od od 141 aminokiseline i
  • dvije ß-podjedinice sastavljene od 146 aminokiselina te
  • četiri molekule hema.

O razlici između mioglobina i hemoglobina pročitajte na mrežnom mjestu 1.

Problemski zadatak

Istražite kako hemoglobin veže plinove kisik, ugljikov dioksid i ugljikov monoksid te kakve su mu konformacije tijekom tih procesa. Na stručnim mrežnim stranicama pronađite i usporedite građu hemoglobina novorođenčadi s hemoglobinom kod odraslih ljudi i otkrijte zbog čega se javljaju razlike u njihovoj građi.

Rotirajući trodimenzijski model molekule hemoglobina

conf.poster.alt
HEADER OXYGEN TRANSPORT 07-MAR-84 4HHB TITLE THE CRYSTAL STRUCTURE OF HUMAN DEOXYHAEMOGLOBIN AT 1.74 ANGSTROMS TITLE 2 RESOLUTION COMPND MOL_ID: 1; COMPND 2 MOLECULE: HEMOGLOBIN (DEOXY) (ALPHA CHAIN); COMPND 3 CHAIN: A, C; COMPND 4 ENGINEERED: YES; COMPND 5 MOL_ID: 2; COMPND 6 MOLECULE: HEMOGLOBIN (DEOXY) (BETA CHAIN); COMPND 7 CHAIN: B, D; COMPND 8 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; SOURCE 3 ORGANISM_COMMON: HUMAN; SOURCE 4 ORGANISM_TAXID: 9606; SOURCE 5 MOL_ID: 2; SOURCE 6 ORGANISM_SCIENTIFIC: HOMO SAPIENS; SOURCE 7 ORGANISM_COMMON: HUMAN; SOURCE 8 ORGANISM_TAXID: 9606 KEYWDS OXYGEN TRANSPORT EXPDTA X-RAY DIFFRACTION AUTHOR G.FERMI,M.F.PERUTZ REVDAT 5 13-JUL-11 4HHB 1 VERSN REVDAT 4 24-FEB-09 4HHB 1 VERSN REVDAT 3 01-APR-03 4HHB 1 JRNL REVDAT 2 15-OCT-89 4HHB 3 MTRIX REVDAT 1 17-JUL-84 4HHB 0 SPRSDE 17-JUL-84 4HHB 1HHB JRNL AUTH G.FERMI,M.F.PERUTZ,B.SHAANAN,R.FOURME JRNL TITL THE CRYSTAL STRUCTURE OF HUMAN DEOXYHAEMOGLOBIN AT 1.74 A JRNL TITL 2 RESOLUTION JRNL REF J.MOL.BIOL. V. 175 159 1984 JRNL REFN ISSN 0022-2836 JRNL PMID 6726807 JRNL DOI 10.1016/0022-2836(84)90472-8 REMARK 1 REMARK 1 REFERENCE 1 REMARK 1 AUTH M.F.PERUTZ,S.S.HASNAIN,P.J.DUKE,J.L.SESSLER,J.E.HAHN REMARK 1 TITL STEREOCHEMISTRY OF IRON IN DEOXYHAEMOGLOBIN REMARK 1 REF NATURE V. 295 535 1982 REMARK 1 REFN ISSN 0028-0836 REMARK 1 REFERENCE 2 REMARK 1 AUTH G.FERMI,M.F.PERUTZ REMARK 1 REF HAEMOGLOBIN AND MYOGLOBIN. V. 2 1981 REMARK 1 REF 2 ATLAS OF MOLECULAR REMARK 1 REF 3 STRUCTURES IN BIOLOGY REMARK 1 PUBL OXFORD UNIVERSITY PRESS REMARK 1 REFN REMARK 1 REFERENCE 3 REMARK 1 AUTH M.F.PERUTZ REMARK 1 TITL REGULATION OF OXYGEN AFFINITY OF HEMOGLOBIN. INFLUENCE OF REMARK 1 TITL 2 STRUCTURE OF THE GLOBIN ON THE HEME IRON REMARK 1 REF ANNU.REV.BIOCHEM. V. 48 327 1979 REMARK 1 REFN ISSN 0066-4154 REMARK 1 REFERENCE 4 REMARK 1 AUTH L.F.TENEYCK,A.ARNONE REMARK 1 TITL THREE-DIMENSIONAL FOURIER SYNTHESIS OF HUMAN DEOXYHEMOGLOBIN REMARK 1 TITL 2 AT 2.5 ANGSTROMS RESOLUTION, I.X-RAY ANALYSIS REMARK 1 REF J.MOL.BIOL. V. 100 3 1976 REMARK 1 REFN ISSN 0022-2836 REMARK 1 REFERENCE 5 REMARK 1 AUTH G.FERMI REMARK 1 TITL THREE-DIMENSIONAL FOURIER SYNTHESIS OF HUMAN REMARK 1 TITL 2 DEOXYHAEMOGLOBIN AT 2.5 ANGSTROMS RESOLUTION, REFINEMENT OF REMARK 1 TITL 3 THE ATOMIC MODEL REMARK 1 REF J.MOL.BIOL. V. 97 237 1975 REMARK 1 REFN ISSN 0022-2836 REMARK 1 REFERENCE 6 REMARK 1 AUTH H.MUIRHEAD,J.GREER REMARK 1 TITL THREE-DIMENSIONAL FOURIER SYNTHESIS OF HUMAN REMARK 1 TITL 2 DEOXYHAEMOGLOBIN AT 3.5 ANGSTROMS RESOLUTION REMARK 1 REF NATURE V. 228 516 1970 REMARK 1 REFN ISSN 0028-0836 REMARK 1 REFERENCE 7 REMARK 1 EDIT M.O.DAYHOFF REMARK 1 REF ATLAS OF PROTEIN SEQUENCE V. 5 56 1972 REMARK 1 REF 2 AND STRUCTURE (DATA SECTION) REMARK 1 PUBL NATIONAL BIOMEDICAL RESEARCH FOUNDATION, SILVER SPRING,MD. REMARK 1 REFN REMARK 1 REFERENCE 8 REMARK 1 EDIT M.O.DAYHOFF REMARK 1 REF ATLAS OF PROTEIN SEQUENCE V. 5 64 1972 REMARK 1 REF 2 AND STRUCTURE (DATA SECTION) REMARK 1 PUBL NATIONAL BIOMEDICAL RESEARCH FOUNDATION, SILVER SPRING,MD. REMARK 1 REFN REMARK 2 REMARK 2 RESOLUTION. 1.74 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : NULL REMARK 3 AUTHORS : NULL REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 1.74 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : NULL REMARK 3 DATA CUTOFF (SIGMA(F)) : NULL REMARK 3 DATA CUTOFF HIGH (ABS(F)) : NULL REMARK 3 DATA CUTOFF LOW (ABS(F)) : NULL REMARK 3 COMPLETENESS (WORKING+TEST) (%) : NULL REMARK 3 NUMBER OF REFLECTIONS : NULL REMARK 3 REMARK 3 FIT TO DATA USED IN REFINEMENT. REMARK 3 CROSS-VALIDATION METHOD : NULL REMARK 3 FREE R VALUE TEST SET SELECTION : NULL REMARK 3 R VALUE (WORKING SET) : 0.135 REMARK 3 FREE R VALUE : NULL REMARK 3 FREE R VALUE TEST SET SIZE (%) : NULL REMARK 3 FREE R VALUE TEST SET COUNT : NULL REMARK 3 ESTIMATED ERROR OF FREE R VALUE : NULL REMARK 3 REMARK 3 FIT IN THE HIGHEST RESOLUTION BIN. REMARK 3 TOTAL NUMBER OF BINS USED : NULL REMARK 3 BIN RESOLUTION RANGE HIGH (A) : NULL REMARK 3 BIN RESOLUTION RANGE LOW (A) : NULL REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : NULL REMARK 3 REFLECTIONS IN BIN (WORKING SET) : NULL REMARK 3 BIN R VALUE (WORKING SET) : NULL REMARK 3 BIN FREE R VALUE : NULL REMARK 3 BIN FREE R VALUE TEST SET SIZE (%) : NULL REMARK 3 BIN FREE R VALUE TEST SET COUNT : NULL REMARK 3 ESTIMATED ERROR OF BIN FREE R VALUE : NULL REMARK 3 REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. REMARK 3 PROTEIN ATOMS : 4384 REMARK 3 NUCLEIC ACID ATOMS : 0 REMARK 3 HETEROGEN ATOMS : 174 REMARK 3 SOLVENT ATOMS : 221 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 ESTIMATED COORDINATE ERROR. REMARK 3 ESD FROM LUZZATI PLOT (A) : NULL REMARK 3 ESD FROM SIGMAA (A) : NULL REMARK 3 LOW RESOLUTION CUTOFF (A) : NULL REMARK 3 REMARK 3 CROSS-VALIDATED ESTIMATED COORDINATE ERROR. REMARK 3 ESD FROM C-V LUZZATI PLOT (A) : NULL REMARK 3 ESD FROM C-V SIGMAA (A) : NULL REMARK 3 REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES. REMARK 3 BOND LENGTHS (A) : NULL REMARK 3 BOND ANGLES (DEGREES) : NULL REMARK 3 DIHEDRAL ANGLES (DEGREES) : NULL REMARK 3 IMPROPER ANGLES (DEGREES) : NULL REMARK 3 REMARK 3 ISOTROPIC THERMAL MODEL : NULL REMARK 3 REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS. RMS SIGMA REMARK 3 MAIN-CHAIN BOND (A**2) : NULL ; NULL REMARK 3 MAIN-CHAIN ANGLE (A**2) : NULL ; NULL REMARK 3 SIDE-CHAIN BOND (A**2) : NULL ; NULL REMARK 3 SIDE-CHAIN ANGLE (A**2) : NULL ; NULL REMARK 3 REMARK 3 NCS MODEL : NULL REMARK 3 REMARK 3 NCS RESTRAINTS. RMS SIGMA/WEIGHT REMARK 3 GROUP 1 POSITIONAL (A) : NULL ; NULL REMARK 3 GROUP 1 B-FACTOR (A**2) : NULL ; NULL REMARK 3 REMARK 3 PARAMETER FILE 1 : NULL REMARK 3 TOPOLOGY FILE 1 : NULL REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: REMARK 3 THE COORDINATES GIVEN HERE ARE IN THE ORTHOGONAL ANGSTROM REMARK 3 SYSTEM STANDARD FOR HEMOGLOBINS. THE Y AXIS IS THE REMARK 3 (NON CRYSTALLOGRAPHIC) MOLECULAR DIAD AND THE X AXIS IS THE REMARK 3 PSEUDO DIAD WHICH RELATES THE ALPHA-1 AND BETA-1 CHAINS. REMARK 3 THE TRANSFORMATION GIVEN IN THE *MTRIX* RECORDS BELOW REMARK 3 WILL GENERATE COORDINATES FOR THE *C* AND *D* CHAINS FROM REMARK 3 THE *A* AND *B* CHAINS RESPECTIVELY. REMARK 4 REMARK 4 4HHB COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY BNL. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : NULL REMARK 200 TEMPERATURE (KELVIN) : NULL REMARK 200 PH : NULL REMARK 200 NUMBER OF CRYSTALS USED : NULL REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : NULL REMARK 200 RADIATION SOURCE : NULL REMARK 200 BEAMLINE : NULL REMARK 200 X-RAY GENERATOR MODEL : NULL REMARK 200 MONOCHROMATIC OR LAUE (M/L) : NULL REMARK 200 WAVELENGTH OR RANGE (A) : NULL REMARK 200 MONOCHROMATOR : NULL REMARK 200 OPTICS : NULL REMARK 200 REMARK 200 DETECTOR TYPE : NULL REMARK 200 DETECTOR MANUFACTURER : NULL REMARK 200 INTENSITY-INTEGRATION SOFTWARE : NULL REMARK 200 DATA SCALING SOFTWARE : NULL REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : NULL REMARK 200 RESOLUTION RANGE HIGH (A) : NULL REMARK 200 RESOLUTION RANGE LOW (A) : NULL REMARK 200 REJECTION CRITERIA (SIGMA(I)) : NULL REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : NULL REMARK 200 DATA REDUNDANCY : NULL REMARK 200 R MERGE (I) : NULL REMARK 200 R SYM (I) : NULL REMARK 200 <I/SIGMA(I)> FOR THE DATA SET : NULL REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : NULL REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : NULL REMARK 200 COMPLETENESS FOR SHELL (%) : NULL REMARK 200 DATA REDUNDANCY IN SHELL : NULL REMARK 200 R MERGE FOR SHELL (I) : NULL REMARK 200 R SYM FOR SHELL (I) : NULL REMARK 200 <I/SIGMA(I)> FOR SHELL : NULL REMARK 200 REMARK 200 DIFFRACTION PROTOCOL: NULL REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: NULL REMARK 200 SOFTWARE USED: NULL REMARK 200 STARTING MODEL: NULL REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 45.48 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.26 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: NULL REMARK 285 REMARK 285 THE ENTRY COORDINATES REMARK 285 ARE NOT PRESENTED IN THE STANDARD CRYSTAL FRAME. REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 1 21 1 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 -X,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 -0.949456 -0.312801 -0.025883 -6.64347 REMARK 290 SMTRY2 2 -0.312858 0.936202 0.160212 41.12228 REMARK 290 SMTRY3 2 -0.025884 0.160188 -0.986745 3.40218 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: TETRAMERIC REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: TETRAMERIC REMARK 350 SOFTWARE USED: PISA REMARK 350 TOTAL BURIED SURFACE AREA: 11630 ANGSTROM**2 REMARK 350 SURFACE AREA OF THE COMPLEX: 24010 ANGSTROM**2 REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -98.0 KCAL/MOL REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, B, C, D REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: CLOSE CONTACTS 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 C VAL B 1 CA HIS B 2 1.63 REMARK 500 C PHE D 45 CA GLY D 46 1.78 REMARK 500 CB THR D 4 OE2 GLU D 6 2.00 REMARK 500 NZ LYS D 66 O1A HEM D 148 2.06 REMARK 500 OD2 ASP D 73 O HOH D 174 2.10 REMARK 500 OG1 THR D 4 OE2 GLU D 6 2.19 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 OD2 ASP C 85 O HOH B 204 2657 1.41 REMARK 500 O HOH B 204 O HOH C 161 2647 2.02 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: COVALENT BOND LENGTHS REMARK 500 REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT: (10X,I3,1X,2(A3,1X,A1,I4,A1,1X,A4,3X),1X,F6.3) REMARK 500 REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 REMARK 500 REMARK 500 M RES CSSEQI ATM1 RES CSSEQI ATM2 DEVIATION REMARK 500 VAL A 1 N VAL A 1 CA -0.295 REMARK 500 VAL A 1 CA VAL A 1 CB 0.299 REMARK 500 VAL A 1 CB VAL A 1 CG1 -0.206 REMARK 500 VAL A 1 CB VAL A 1 CG2 -0.283 REMARK 500 LEU A 2 CA LEU A 2 C 0.249 REMARK 500 SER A 3 N SER A 3 CA 0.167 REMARK 500 SER A 3 CB SER A 3 OG -0.132 REMARK 500 LEU A 2 C SER A 3 N -0.320 REMARK 500 PRO A 4 N PRO A 4 CA -0.149 REMARK 500 PRO A 4 CA PRO A 4 CB 0.202 REMARK 500 SER A 3 C PRO A 4 N 0.282 REMARK 500 ALA A 5 N ALA A 5 CA -0.130 REMARK 500 ALA A 5 CA ALA A 5 CB 0.247 REMARK 500 PRO A 4 C ALA A 5 N 0.257 REMARK 500 LYS A 7 N LYS A 7 CA 0.157 REMARK 500 THR A 8 CA THR A 8 CB 0.178 REMARK 500 THR A 8 CB THR A 8 OG1 -0.173 REMARK 500 THR A 8 CB THR A 8 CG2 -0.245 REMARK 500 THR A 8 CA THR A 8 C -0.174 REMARK 500 LYS A 7 C THR A 8 N 0.258 REMARK 500 THR A 8 C ASN A 9 N 0.179 REMARK 500 VAL A 10 CB VAL A 10 CG2 -0.179 REMARK 500 VAL A 10 CA VAL A 10 C 0.160 REMARK 500 LYS A 11 N LYS A 11 CA 0.131 REMARK 500 LYS A 11 CA LYS A 11 CB -0.137 REMARK 500 LYS A 11 CB LYS A 11 CG -0.196 REMARK 500 LYS A 11 CG LYS A 11 CD -0.206 REMARK 500 LYS A 11 CD LYS A 11 CE 0.454 REMARK 500 ALA A 12 N ALA A 12 CA -0.133 REMARK 500 ALA A 12 C ALA A 12 O 0.225 REMARK 500 ALA A 13 CA ALA A 13 C 0.201 REMARK 500 TRP A 14 CA TRP A 14 CB 0.291 REMARK 500 TRP A 14 CB TRP A 14 CG -0.274 REMARK 500 TRP A 14 CG TRP A 14 CD1 0.306 REMARK 500 TRP A 14 CD1 TRP A 14 NE1 0.158 REMARK 500 TRP A 14 NE1 TRP A 14 CE2 -0.234 REMARK 500 TRP A 14 CE2 TRP A 14 CZ2 -0.243 REMARK 500 TRP A 14 CE2 TRP A 14 CD2 0.221 REMARK 500 TRP A 14 CH2 TRP A 14 CZ2 -0.217 REMARK 500 GLY A 15 CA GLY A 15 C 0.182 REMARK 500 GLY A 15 C GLY A 15 O 0.437 REMARK 500 LYS A 16 CB LYS A 16 CG 0.164 REMARK 500 LYS A 16 CG LYS A 16 CD 0.488 REMARK 500 LYS A 16 CD LYS A 16 CE 0.410 REMARK 500 LYS A 16 C LYS A 16 O -0.149 REMARK 500 GLY A 15 C LYS A 16 N -0.418 REMARK 500 VAL A 17 N VAL A 17 CA -0.191 REMARK 500 VAL A 17 CA VAL A 17 CB -0.168 REMARK 500 VAL A 17 CA VAL A 17 C 0.432 REMARK 500 VAL A 17 C VAL A 17 O -0.483 REMARK 500 REMARK 500 THIS ENTRY HAS 1271 BOND DEVIATIONS. REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: COVALENT BOND ANGLES REMARK 500 REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1) REMARK 500 REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 REMARK 500 REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3 REMARK 500 VAL A 1 CG1 - CB - CG2 ANGL. DEV. = 27.5 DEGREES REMARK 500 VAL A 1 CA - CB - CG2 ANGL. DEV. = -25.9 DEGREES REMARK 500 LEU A 2 N - CA - CB ANGL. DEV. = -17.9 DEGREES REMARK 500 LEU A 2 CB - CG - CD1 ANGL. DEV. = 13.0 DEGREES REMARK 500 LEU A 2 CA - C - O ANGL. DEV. = -21.8 DEGREES REMARK 500 VAL A 1 CA - C - N ANGL. DEV. = -13.3 DEGREES REMARK 500 VAL A 1 O - C - N ANGL. DEV. = 12.7 DEGREES REMARK 500 LEU A 2 C - N - CA ANGL. DEV. = -20.6 DEGREES REMARK 500 SER A 3 N - CA - CB ANGL. DEV. = -9.7 DEGREES REMARK 500 SER A 3 CA - C - O ANGL. DEV. = 15.9 DEGREES REMARK 500 LEU A 2 O - C - N ANGL. DEV. = 30.2 DEGREES REMARK 500 PRO A 4 CB - CA - C ANGL. DEV. = -30.7 DEGREES REMARK 500 PRO A 4 CA - CB - CG ANGL. DEV. = -15.7 DEGREES REMARK 500 PRO A 4 N - CD - CG ANGL. DEV. = -12.4 DEGREES REMARK 500 SER A 3 O - C - N ANGL. DEV. = -14.6 DEGREES REMARK 500 PRO A 4 C - N - CA ANGL. DEV. = -14.1 DEGREES REMARK 500 PRO A 4 C - N - CD ANGL. DEV. = -18.4 DEGREES REMARK 500 ALA A 5 CB - CA - C ANGL. DEV. = -10.8 DEGREES REMARK 500 PRO A 4 O - C - N ANGL. DEV. = -9.9 DEGREES REMARK 500 ASP A 6 CB - CG - OD1 ANGL. DEV. = 6.5 DEGREES REMARK 500 ASP A 6 CB - CG - OD2 ANGL. DEV. = -8.8 DEGREES REMARK 500 LYS A 7 N - CA - CB ANGL. DEV. = -13.5 DEGREES REMARK 500 LYS A 7 CD - CE - NZ ANGL. DEV. = -27.4 DEGREES REMARK 500 LYS A 7 N - CA - C ANGL. DEV. = 22.1 DEGREES REMARK 500 ASP A 6 O - C - N ANGL. DEV. = 14.8 DEGREES REMARK 500 LYS A 7 C - N - CA ANGL. DEV. = -20.2 DEGREES REMARK 500 THR A 8 CA - CB - CG2 ANGL. DEV. = -10.7 DEGREES REMARK 500 THR A 8 CA - C - O ANGL. DEV. = 21.3 DEGREES REMARK 500 LYS A 7 CA - C - N ANGL. DEV. = -20.1 DEGREES REMARK 500 THR A 8 C - N - CA ANGL. DEV. = -15.7 DEGREES REMARK 500 VAL A 10 O - C - N ANGL. DEV. = 11.4 DEGREES REMARK 500 ALA A 12 CB - CA - C ANGL. DEV. = -29.5 DEGREES REMARK 500 ALA A 12 N - CA - CB ANGL. DEV. = -14.5 DEGREES REMARK 500 ALA A 12 C - N - CA ANGL. DEV. = -22.9 DEGREES REMARK 500 ALA A 12 O - C - N ANGL. DEV. = -25.9 DEGREES REMARK 500 TRP A 14 CA - CB - CG ANGL. DEV. = -22.4 DEGREES REMARK 500 TRP A 14 CG - CD1 - NE1 ANGL. DEV. = -13.5 DEGREES REMARK 500 TRP A 14 CD1 - NE1 - CE2 ANGL. DEV. = 19.8 DEGREES REMARK 500 TRP A 14 NE1 - CE2 - CZ2 ANGL. DEV. = 11.2 DEGREES REMARK 500 TRP A 14 CH2 - CZ2 - CE2 ANGL. DEV. = 13.2 DEGREES REMARK 500 ALA A 13 O - C - N ANGL. DEV. = 13.6 DEGREES REMARK 500 GLY A 15 N - CA - C ANGL. DEV. = -24.3 DEGREES REMARK 500 GLY A 15 CA - C - O ANGL. DEV. = -21.6 DEGREES REMARK 500 GLY A 15 C - N - CA ANGL. DEV. = -19.0 DEGREES REMARK 500 LYS A 16 N - CA - CB ANGL. DEV. = 14.8 DEGREES REMARK 500 LYS A 16 CG - CD - CE ANGL. DEV. = -48.6 DEGREES REMARK 500 LYS A 16 CD - CE - NZ ANGL. DEV. = 17.9 DEGREES REMARK 500 GLY A 15 CA - C - N ANGL. DEV. = 25.6 DEGREES REMARK 500 GLY A 15 O - C - N ANGL. DEV. = -10.0 DEGREES REMARK 500 LYS A 16 C - N - CA ANGL. DEV. = 15.1 DEGREES REMARK 500 REMARK 500 THIS ENTRY HAS 1481 ANGLE DEVIATIONS. 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 SER A 3 -176.01 -60.80 REMARK 500 LYS A 16 -55.41 -1.55 REMARK 500 ALA A 21 -76.55 -47.40 REMARK 500 LEU A 48 40.81 -103.90 REMARK 500 SER A 52 150.87 -47.80 REMARK 500 HIS A 122 -70.12 -41.02 REMARK 500 THR B 4 -176.32 -55.07 REMARK 500 GLU B 7 -71.39 -64.26 REMARK 500 PHE B 45 -9.16 -52.07 REMARK 500 ASN B 80 59.72 -142.35 REMARK 500 TYR B 145 130.62 -35.71 REMARK 500 SER C 3 172.94 -57.29 REMARK 500 VAL C 17 -70.34 -65.44 REMARK 500 LEU C 48 32.06 -92.63 REMARK 500 ASP C 75 72.45 -151.27 REMARK 500 LYS C 90 -77.18 -122.52 REMARK 500 LEU C 113 71.25 -107.78 REMARK 500 LEU D 3 -163.80 -100.24 REMARK 500 ASN D 19 94.43 -63.05 REMARK 500 GLN D 39 0.49 -67.48 REMARK 500 SER D 72 -71.73 -40.75 REMARK 500 ASP D 73 -43.09 -22.67 REMARK 500 ALA D 76 7.73 -63.28 REMARK 500 HIS D 77 62.58 -172.71 REMARK 500 LEU D 78 -50.86 -25.69 REMARK 500 ASN D 80 85.05 -167.04 REMARK 500 HIS D 97 35.26 76.08 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: NON-CIS, NON-TRANS REMARK 500 REMARK 500 THE FOLLOWING PEPTIDE BONDS DEVIATE SIGNIFICANTLY FROM BOTH REMARK 500 CIS AND TRANS CONFORMATION. CIS BONDS, IF ANY, ARE LISTED REMARK 500 ON CISPEP RECORDS. TRANS IS DEFINED AS 180 +/- 30 AND REMARK 500 CIS IS DEFINED AS 0 +/- 30 DEGREES. REMARK 500 MODEL OMEGA REMARK 500 GLY A 18 ALA A 19 -145.49 REMARK 500 SER B 49 THR B 50 113.74 REMARK 500 LEU D 3 THR D 4 148.65 REMARK 500 VAL D 18 ASN D 19 148.41 REMARK 500 LEU D 48 SER D 49 -144.37 REMARK 500 SER D 49 THR D 50 143.57 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: PLANAR GROUPS REMARK 500 REMARK 500 PLANAR GROUPS IN THE FOLLOWING RESIDUES HAVE A TOTAL REMARK 500 RMS DISTANCE OF ALL ATOMS FROM THE BEST-FIT PLANE REMARK 500 BY MORE THAN AN EXPECTED VALUE OF 6*RMSD, WITH AN REMARK 500 RMSD 0.02 ANGSTROMS, OR AT LEAST ONE ATOM HAS REMARK 500 AN RMSD GREATER THAN THIS VALUE REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 M RES CSSEQI RMS TYPE REMARK 500 HIS A 20 0.17 SIDE CHAIN REMARK 500 GLU A 23 0.25 SIDE CHAIN REMARK 500 TYR A 24 0.10 SIDE CHAIN REMARK 500 PHE A 36 0.09 SIDE CHAIN REMARK 500 HIS A 45 0.11 SIDE CHAIN REMARK 500 HIS A 50 0.20 SIDE CHAIN REMARK 500 GLN A 54 0.10 SIDE CHAIN REMARK 500 ASP A 64 0.14 SIDE CHAIN REMARK 500 HIS A 72 0.24 SIDE CHAIN REMARK 500 ASN A 78 0.08 SIDE CHAIN REMARK 500 ASP A 85 0.09 SIDE CHAIN REMARK 500 ARG A 92 0.08 SIDE CHAIN REMARK 500 ASP A 126 0.10 SIDE CHAIN REMARK 500 ARG A 141 0.08 SIDE CHAIN REMARK 500 HIS B 2 0.16 SIDE CHAIN REMARK 500 GLU B 6 0.16 SIDE CHAIN REMARK 500 ASN B 19 0.08 SIDE CHAIN REMARK 500 ASP B 21 0.15 SIDE CHAIN REMARK 500 GLU B 22 0.51 SIDE CHAIN REMARK 500 GLU B 26 0.38 SIDE CHAIN REMARK 500 ASP B 47 0.14 SIDE CHAIN REMARK 500 ASP B 52 0.19 SIDE CHAIN REMARK 500 HIS B 63 0.11 SIDE CHAIN REMARK 500 ASP B 79 0.11 SIDE CHAIN REMARK 500 ASN B 80 0.20 SIDE CHAIN REMARK 500 GLU B 90 0.15 SIDE CHAIN REMARK 500 ARG B 104 0.39 SIDE CHAIN REMARK 500 HIS B 117 0.22 SIDE CHAIN REMARK 500 PHE B 118 0.13 SIDE CHAIN REMARK 500 GLU B 121 0.26 SIDE CHAIN REMARK 500 HIS B 143 0.10 SIDE CHAIN REMARK 500 HIS B 146 0.31 SIDE CHAIN REMARK 500 ASN C 9 0.08 SIDE CHAIN REMARK 500 HIS C 20 0.14 SIDE CHAIN REMARK 500 GLU C 23 0.30 SIDE CHAIN REMARK 500 HIS C 45 0.10 SIDE CHAIN REMARK 500 PHE C 46 0.10 SIDE CHAIN REMARK 500 ASP C 47 0.15 SIDE CHAIN REMARK 500 ASP C 64 0.08 SIDE CHAIN REMARK 500 ASP C 75 0.07 SIDE CHAIN REMARK 500 ASN C 78 0.11 SIDE CHAIN REMARK 500 ARG C 92 0.20 SIDE CHAIN REMARK 500 GLU C 116 0.09 SIDE CHAIN REMARK 500 ASP C 126 0.11 SIDE CHAIN REMARK 500 ARG C 141 0.08 SIDE CHAIN REMARK 500 HIS D 2 0.10 SIDE CHAIN REMARK 500 GLU D 6 0.17 SIDE CHAIN REMARK 500 GLU D 7 0.10 SIDE CHAIN REMARK 500 ASN D 19 0.38 SIDE CHAIN REMARK 500 ASP D 21 0.18 SIDE CHAIN REMARK 500 REMARK 500 THIS ENTRY HAS 71 PLANE DEVIATIONS. REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: MAIN CHAIN PLANARITY REMARK 500 REMARK 500 THE FOLLOWING RESIDUES HAVE A PSEUDO PLANARITY REMARK 500 TORSION ANGLE, C(I) - CA(I) - N(I+1) - O(I), GREATER REMARK 500 10.0 DEGREES. (M=MODEL NUMBER; RES=RESIDUE NAME; REMARK 500 C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER; REMARK 500 I=INSERTION CODE). REMARK 500 REMARK 500 M RES CSSEQI ANGLE REMARK 500 VAL A 1 -12.66 REMARK 500 SER A 3 -13.96 REMARK 500 PRO A 4 -17.06 REMARK 500 ASN A 9 10.02 REMARK 500 LYS A 11 -14.58 REMARK 500 ALA A 12 -29.94 REMARK 500 GLY A 15 25.08 REMARK 500 ALA A 19 -16.87 REMARK 500 ALA A 21 26.61 REMARK 500 GLY A 22 15.67 REMARK 500 THR A 41 10.65 REMARK 500 PHE A 46 -10.97 REMARK 500 LEU A 48 -25.01 REMARK 500 SER A 52 -10.23 REMARK 500 LYS A 56 14.67 REMARK 500 GLY A 59 -10.71 REMARK 500 LYS A 61 -11.09 REMARK 500 ALA A 63 -17.65 REMARK 500 ASP A 74 18.25 REMARK 500 ASP A 75 -17.02 REMARK 500 MET A 76 -10.23 REMARK 500 ASN A 78 -10.93 REMARK 500 SER A 81 -10.91 REMARK 500 ALA A 82 11.29 REMARK 500 LEU A 83 -10.53 REMARK 500 ASP A 85 -12.19 REMARK 500 ALA A 88 11.87 REMARK 500 LYS A 90 -14.75 REMARK 500 ASN A 97 -10.48 REMARK 500 LYS A 99 -15.40 REMARK 500 LEU A 101 -10.99 REMARK 500 LEU A 106 -10.02 REMARK 500 ALA A 111 10.63 REMARK 500 PRO A 114 -12.36 REMARK 500 THR A 118 -18.84 REMARK 500 HIS A 122 17.52 REMARK 500 VAL B 1 34.93 REMARK 500 LEU B 3 14.19 REMARK 500 THR B 4 -16.98 REMARK 500 GLU B 7 12.85 REMARK 500 LEU B 14 12.16 REMARK 500 ASP B 21 -10.62 REMARK 500 THR B 38 14.87 REMARK 500 GLU B 43 -24.15 REMARK 500 SER B 44 54.71 REMARK 500 ASP B 47 16.36 REMARK 500 SER B 49 -74.55 REMARK 500 GLY B 56 -31.39 REMARK 500 LYS B 59 -12.59 REMARK 500 VAL B 60 10.98 REMARK 500 REMARK 500 THIS ENTRY HAS 130 MAIN CHAIN PLANARITY DEVIATIONS. REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: CHIRAL CENTERS REMARK 500 REMARK 500 UNEXPECTED CONFIGURATION OF THE FOLLOWING CHIRAL REMARK 500 CENTER(S) USING IMPROPER CA--C--CB--N CHIRALITY REMARK 500 FOR AMINO ACIDS AND C1'--O4'--N1(N9)--C2' FOR REMARK 500 NUCLEIC ACIDS OR EQUIVALENT ANGLE REMARK 500 M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,6X,F5.1,6X,A1,10X,A1,3X,A16) REMARK 500 REMARK 500 M RES CSSEQI IMPROPER EXPECTED FOUND DETAILS REMARK 500 SER A 3 47.5 L L OUTSIDE RANGE REMARK 500 LYS A 7 22.9 L L OUTSIDE RANGE REMARK 500 LYS A 16 14.6 L L OUTSIDE RANGE REMARK 500 VAL A 17 18.2 L L OUTSIDE RANGE REMARK 500 ALA A 26 18.6 L L OUTSIDE RANGE REMARK 500 PHE A 33 25.0 L L OUTSIDE RANGE REMARK 500 SER A 49 47.6 L L OUTSIDE RANGE REMARK 500 LYS A 56 14.8 L L OUTSIDE RANGE REMARK 500 LYS A 60 22.7 L L OUTSIDE RANGE REMARK 500 ALA A 71 48.3 L L OUTSIDE RANGE REMARK 500 PRO A 77 16.7 L L OUTSIDE RANGE REMARK 500 SER A 84 23.0 L L OUTSIDE RANGE REMARK 500 HIS A 89 23.9 L L OUTSIDE RANGE REMARK 500 LYS A 90 17.4 L L OUTSIDE RANGE REMARK 500 HIS A 103 22.3 L L OUTSIDE RANGE REMARK 500 ALA A 111 21.3 L L OUTSIDE RANGE REMARK 500 PRO A 114 49.5 L L OUTSIDE RANGE REMARK 500 PHE A 117 21.9 L L OUTSIDE RANGE REMARK 500 ALA A 120 20.3 L L OUTSIDE RANGE REMARK 500 HIS A 122 46.2 L L OUTSIDE RANGE REMARK 500 TYR A 140 23.5 L L OUTSIDE RANGE REMARK 500 PRO B 5 18.3 L L OUTSIDE RANGE REMARK 500 SER B 9 13.0 L L OUTSIDE RANGE REMARK 500 ALA B 13 23.4 L L OUTSIDE RANGE REMARK 500 LEU B 28 16.4 L L OUTSIDE RANGE REMARK 500 THR B 38 24.4 L L OUTSIDE RANGE REMARK 500 GLU B 43 46.6 L L OUTSIDE RANGE REMARK 500 ASP B 47 45.8 L L OUTSIDE RANGE REMARK 500 SER B 49 53.4 L L OUTSIDE RANGE REMARK 500 VAL B 60 24.9 L L OUTSIDE RANGE REMARK 500 LYS B 65 20.6 L L OUTSIDE RANGE REMARK 500 HIS B 77 47.6 L L OUTSIDE RANGE REMARK 500 ASP B 79 51.3 L L OUTSIDE RANGE REMARK 500 ASN B 80 45.3 L L OUTSIDE RANGE REMARK 500 LYS B 82 47.0 L L OUTSIDE RANGE REMARK 500 THR B 84 23.8 L L OUTSIDE RANGE REMARK 500 GLU B 90 11.1 L L OUTSIDE RANGE REMARK 500 LEU B 96 22.2 L L OUTSIDE RANGE REMARK 500 ASP B 99 47.0 L L OUTSIDE RANGE REMARK 500 HIS B 117 22.8 L L OUTSIDE RANGE REMARK 500 GLN B 127 23.5 L L OUTSIDE RANGE REMARK 500 VAL B 134 20.6 L L OUTSIDE RANGE REMARK 500 TYR B 145 13.6 L L OUTSIDE RANGE REMARK 500 VAL C 1 85.9 L L OUTSIDE RANGE REMARK 500 ALA C 5 23.1 L L OUTSIDE RANGE REMARK 500 ALA C 12 13.9 L L OUTSIDE RANGE REMARK 500 LYS C 16 18.8 L L OUTSIDE RANGE REMARK 500 VAL C 17 23.9 L L OUTSIDE RANGE REMARK 500 TYR C 24 23.1 L L OUTSIDE RANGE REMARK 500 ALA C 26 24.5 L L OUTSIDE RANGE REMARK 500 REMARK 500 THIS ENTRY HAS 97 CHIRALITY DEVIATIONS. REMARK 500 REMARK 500 REMARK: NULL REMARK 610 REMARK 610 MISSING HETEROATOM REMARK 610 THE FOLLOWING RESIDUES HAVE MISSING ATOMS (M=MODEL NUMBER; REMARK 610 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER; REMARK 610 I=INSERTION CODE): REMARK 610 M RES C SSEQI REMARK 610 PO4 D 147 REMARK 610 PO4 B 147 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 HEM A 142 FE REMARK 620 N RES CSSEQI ATOM REMARK 620 1 HIS A 87 NE2 REMARK 620 2 HEM A 142 NA 100.9 REMARK 620 3 HEM A 142 NB 100.3 86.2 REMARK 620 4 HEM A 142 NC 104.6 154.5 88.3 REMARK 620 5 HEM A 142 ND 106.5 90.3 153.2 83.5 REMARK 620 N 1 2 3 4 REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 HEM B 148 FE REMARK 620 N RES CSSEQI ATOM REMARK 620 1 HIS B 92 NE2 REMARK 620 2 HEM B 148 NA 97.7 REMARK 620 3 HEM B 148 NB 97.1 88.7 REMARK 620 4 HEM B 148 NC 104.0 158.3 90.0 REMARK 620 5 HEM B 148 ND 103.6 91.0 159.1 82.6 REMARK 620 N 1 2 3 4 REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 HEM C 142 FE REMARK 620 N RES CSSEQI ATOM REMARK 620 1 HIS C 87 NE2 REMARK 620 2 HEM C 142 NA 92.2 REMARK 620 3 HEM C 142 NB 93.3 83.8 REMARK 620 4 HEM C 142 NC 105.8 162.0 94.8 REMARK 620 5 HEM C 142 ND 103.5 88.9 161.9 87.1 REMARK 620 N 1 2 3 4 REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 HEM D 148 FE REMARK 620 N RES CSSEQI ATOM REMARK 620 1 HIS D 92 NE2 REMARK 620 2 HEM D 148 NA 90.2 REMARK 620 3 HEM D 148 NB 102.2 88.3 REMARK 620 4 HEM D 148 NC 109.1 160.5 84.5 REMARK 620 5 HEM D 148 ND 97.7 89.1 159.9 91.4 REMARK 620 N 1 2 3 4 REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: AC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE PO4 D 147 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC2 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE PO4 B 147 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC3 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE HEM A 142 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC4 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE HEM B 148 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC5 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE HEM C 142 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC6 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE HEM D 148 REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 2HHB RELATED DB: PDB REMARK 900 REFINED BY THE METHOD OF JACK AND LEVITT. THIS ENTRY REMARK 900 PRESENTS THE BEST ESTIMATE OF THE COORDINATES. REMARK 900 RELATED ID: 3HHB RELATED DB: PDB REMARK 900 SYMMETRY AVERAGED ABOUT THE (NON-CRYSTALLOGRAPHIC) REMARK 900 MOLECULAR AXIS AND THEN RE-REGULARIZED BY THE ENERGY REMARK 900 REFINEMENT METHOD OF LEVITT. THIS ENTRY PRESENTS REMARK 900 COORDINATES THAT ARE ADEQUATE FOR MOST PURPOSES, SUCH AS REMARK 900 COMPARISON WITH OTHER STRUCTURES. REMARK 900 RELATED ID: 1GLI RELATED DB: PDB DBREF 4HHB A 1 141 UNP P69905 HBA_HUMAN 1 141 DBREF 4HHB B 1 146 UNP P68871 HBB_HUMAN 1 146 DBREF 4HHB C 1 141 UNP P69905 HBA_HUMAN 1 141 DBREF 4HHB D 1 146 UNP P68871 HBB_HUMAN 1 146 SEQRES 1 A 141 VAL LEU SER PRO ALA ASP LYS THR ASN VAL LYS ALA ALA SEQRES 2 A 141 TRP GLY LYS VAL GLY ALA HIS ALA GLY GLU TYR GLY ALA SEQRES 3 A 141 GLU ALA LEU GLU ARG MET PHE LEU SER PHE PRO THR THR SEQRES 4 A 141 LYS THR TYR PHE PRO HIS PHE ASP LEU SER HIS GLY SER SEQRES 5 A 141 ALA GLN VAL LYS GLY HIS GLY LYS LYS VAL ALA ASP ALA SEQRES 6 A 141 LEU THR ASN ALA VAL ALA HIS VAL ASP ASP MET PRO ASN SEQRES 7 A 141 ALA LEU SER ALA LEU SER ASP LEU HIS ALA HIS LYS LEU SEQRES 8 A 141 ARG VAL ASP PRO VAL ASN PHE LYS LEU LEU SER HIS CYS SEQRES 9 A 141 LEU LEU VAL THR LEU ALA ALA HIS LEU PRO ALA GLU PHE SEQRES 10 A 141 THR PRO ALA VAL HIS ALA SER LEU ASP LYS PHE LEU ALA SEQRES 11 A 141 SER VAL SER THR VAL LEU THR SER LYS TYR ARG SEQRES 1 B 146 VAL HIS LEU THR PRO GLU GLU LYS SER ALA VAL THR ALA SEQRES 2 B 146 LEU TRP GLY LYS VAL ASN VAL ASP GLU VAL GLY GLY GLU SEQRES 3 B 146 ALA LEU GLY ARG LEU LEU VAL VAL TYR PRO TRP THR GLN SEQRES 4 B 146 ARG PHE PHE GLU SER PHE GLY ASP LEU SER THR PRO ASP SEQRES 5 B 146 ALA VAL MET GLY ASN PRO LYS VAL LYS ALA HIS GLY LYS SEQRES 6 B 146 LYS VAL LEU GLY ALA PHE SER ASP GLY LEU ALA HIS LEU SEQRES 7 B 146 ASP ASN LEU LYS GLY THR PHE ALA THR LEU SER GLU LEU SEQRES 8 B 146 HIS CYS ASP LYS LEU HIS VAL ASP PRO GLU ASN PHE ARG SEQRES 9 B 146 LEU LEU GLY ASN VAL LEU VAL CYS VAL LEU ALA HIS HIS SEQRES 10 B 146 PHE GLY LYS GLU PHE THR PRO PRO VAL GLN ALA ALA TYR SEQRES 11 B 146 GLN LYS VAL VAL ALA GLY VAL ALA ASN ALA LEU ALA HIS SEQRES 12 B 146 LYS TYR HIS SEQRES 1 C 141 VAL LEU SER PRO ALA ASP LYS THR ASN VAL LYS ALA ALA SEQRES 2 C 141 TRP GLY LYS VAL GLY ALA HIS ALA GLY GLU TYR GLY ALA SEQRES 3 C 141 GLU ALA LEU GLU ARG MET PHE LEU SER PHE PRO THR THR SEQRES 4 C 141 LYS THR TYR PHE PRO HIS PHE ASP LEU SER HIS GLY SER SEQRES 5 C 141 ALA GLN VAL LYS GLY HIS GLY LYS LYS VAL ALA ASP ALA SEQRES 6 C 141 LEU THR ASN ALA VAL ALA HIS VAL ASP ASP MET PRO ASN SEQRES 7 C 141 ALA LEU SER ALA LEU SER ASP LEU HIS ALA HIS LYS LEU SEQRES 8 C 141 ARG VAL ASP PRO VAL ASN PHE LYS LEU LEU SER HIS CYS SEQRES 9 C 141 LEU LEU VAL THR LEU ALA ALA HIS LEU PRO ALA GLU PHE SEQRES 10 C 141 THR PRO ALA VAL HIS ALA SER LEU ASP LYS PHE LEU ALA SEQRES 11 C 141 SER VAL SER THR VAL LEU THR SER LYS TYR ARG SEQRES 1 D 146 VAL HIS LEU THR PRO GLU GLU LYS SER ALA VAL THR ALA SEQRES 2 D 146 LEU TRP GLY LYS VAL ASN VAL ASP GLU VAL GLY GLY GLU SEQRES 3 D 146 ALA LEU GLY ARG LEU LEU VAL VAL TYR PRO TRP THR GLN SEQRES 4 D 146 ARG PHE PHE GLU SER PHE GLY ASP LEU SER THR PRO ASP SEQRES 5 D 146 ALA VAL MET GLY ASN PRO LYS VAL LYS ALA HIS GLY LYS SEQRES 6 D 146 LYS VAL LEU GLY ALA PHE SER ASP GLY LEU ALA HIS LEU SEQRES 7 D 146 ASP ASN LEU LYS GLY THR PHE ALA THR LEU SER GLU LEU SEQRES 8 D 146 HIS CYS ASP LYS LEU HIS VAL ASP PRO GLU ASN PHE ARG SEQRES 9 D 146 LEU LEU GLY ASN VAL LEU VAL CYS VAL LEU ALA HIS HIS SEQRES 10 D 146 PHE GLY LYS GLU PHE THR PRO PRO VAL GLN ALA ALA TYR SEQRES 11 D 146 GLN LYS VAL VAL ALA GLY VAL ALA ASN ALA LEU ALA HIS SEQRES 12 D 146 LYS TYR HIS HET PO4 D 147 1 HET PO4 B 147 1 HET HEM A 142 43 HET HEM B 148 43 HET HEM C 142 43 HET HEM D 148 43 HETNAM PO4 PHOSPHATE ION HETNAM HEM PROTOPORPHYRIN IX CONTAINING FE HETSYN HEM HEME FORMUL 5 PO4 2(O4 P 3-) FORMUL 7 HEM 4(C34 H32 FE N4 O4) FORMUL 11 HOH *221(H2 O) HELIX 1 AA SER A 3 GLY A 18 1 16 HELIX 2 AB HIS A 20 SER A 35 1 16 HELIX 3 AC PHE A 36 TYR A 42 1 7 HELIX 4 AD HIS A 50 GLY A 51 1DEGEN 2 RES HLX RETAIN HOMOL 2 HELIX 5 AE SER A 52 ALA A 71 1 20 HELIX 6 AF LEU A 80 ALA A 88 1 9 HELIX 7 AG ASP A 94 HIS A 112 1 19 HELIX 8 AH THR A 118 SER A 138 1 21 HELIX 9 BA THR B 4 VAL B 18 1 15 HELIX 10 BB ASN B 19 VAL B 34 1 16 HELIX 11 BC TYR B 35 PHE B 41 1 7 HELIX 12 BD THR B 50 GLY B 56 1 7 HELIX 13 BE ASN B 57 ALA B 76 1 20 HELIX 14 BF PHE B 85 CYS B 93 1 9 HELIX 15 BG ASP B 99 HIS B 117 1 19 HELIX 16 BH THR B 123 HIS B 143 1 21 HELIX 17 CA SER C 3 GLY C 18 1 16 HELIX 18 CB HIS C 20 SER C 35 1 16 HELIX 19 CC PHE C 36 TYR C 42 1 7 HELIX 20 CD HIS C 50 GLY C 51 1DEGEN 2 RES HLX RETAIN HOMOL 2 HELIX 21 CE SER C 52 ALA C 71 1 20 HELIX 22 CF LEU C 80 ALA C 88 1 9 HELIX 23 CG ASP C 94 HIS C 112 1 19 HELIX 24 CH THR C 118 SER C 138 1 21 HELIX 25 DA THR D 4 VAL D 18 1 15 HELIX 26 DB ASN D 19 VAL D 34 1 16 HELIX 27 DC TYR D 35 PHE D 41 1 7 HELIX 28 DD THR D 50 GLY D 56 1 7 HELIX 29 DE ASN D 57 ALA D 76 1 20 HELIX 30 DF PHE D 85 CYS D 93 1 9 HELIX 31 DG ASP D 99 HIS D 117 1 19 HELIX 32 DH THR D 123 HIS D 143 1 21 LINK NE2 HIS A 87 FE HEM A 142 1555 1555 2.14 LINK NE2 HIS B 92 FE HEM B 148 1555 1555 2.22 LINK NE2 HIS C 87 FE HEM C 142 1555 1555 2.26 LINK NE2 HIS D 92 FE HEM D 148 1555 1555 1.98 SITE 1 AC1 1 VAL D 1 SITE 1 AC2 1 HOH B 197 SITE 1 AC3 16 TYR A 42 PHE A 43 HIS A 45 PHE A 46 SITE 2 AC3 16 HIS A 58 LYS A 61 LEU A 86 HIS A 87 SITE 3 AC3 16 LEU A 91 VAL A 93 ASN A 97 PHE A 98 SITE 4 AC3 16 LEU A 101 LEU A 136 HOH A 144 HOH A 159 SITE 1 AC4 13 ALA A 53 HOH A 145 PHE B 41 HIS B 63 SITE 2 AC4 13 LYS B 66 VAL B 67 HIS B 92 LEU B 96 SITE 3 AC4 13 ASN B 102 PHE B 103 LEU B 141 HOH B 175 SITE 4 AC4 13 HOH B 193 SITE 1 AC5 15 TYR C 42 PHE C 43 HIS C 45 HIS C 58 SITE 2 AC5 15 LYS C 61 LEU C 83 LEU C 86 HIS C 87 SITE 3 AC5 15 LEU C 91 VAL C 93 ASN C 97 PHE C 98 SITE 4 AC5 15 LEU C 136 HOH C 149 HOH C 164 SITE 1 AC6 7 HIS D 63 LYS D 66 VAL D 67 HIS D 92 SITE 2 AC6 7 LEU D 96 ASN D 102 LEU D 141 CRYST1 63.150 83.590 53.800 90.00 99.34 90.00 P 1 21 1 4 ORIGX1 0.963457 0.136613 0.230424 16.61000 ORIGX2 -0.158977 0.983924 0.081383 13.72000 ORIGX3 -0.215598 -0.115048 0.969683 37.65000 SCALE1 0.015462 0.002192 0.003698 0.26656 SCALE2 -0.001902 0.011771 0.000974 0.16413 SCALE3 -0.001062 -0.001721 0.018728 0.75059 MTRIX1 1 -1.000000 0.000000 0.000000 0.00001 1 MTRIX2 1 0.000000 1.000000 0.000000 0.00002 1 MTRIX3 1 0.000000 0.000000 -1.000000 0.00002 1 ATOM 1 N VAL A 1 6.204 16.869 4.854 1.00 49.05 N ATOM 2 CA VAL A 1 6.913 17.759 4.607 1.00 43.14 C ATOM 3 C VAL A 1 8.504 17.378 4.797 1.00 24.80 C ATOM 4 O VAL A 1 8.805 17.011 5.943 1.00 37.68 O ATOM 5 CB VAL A 1 6.369 19.044 5.810 1.00 72.12 C ATOM 6 CG1 VAL A 1 7.009 20.127 5.418 1.00 61.79 C ATOM 7 CG2 VAL A 1 5.246 18.533 5.681 1.00 80.12 C ATOM 8 N LEU A 2 9.096 18.040 3.857 1.00 26.44 N ATOM 9 CA LEU A 2 10.600 17.889 4.283 1.00 26.32 C ATOM 10 C LEU A 2 11.265 19.184 5.297 1.00 32.96 C ATOM 11 O LEU A 2 10.813 20.177 4.647 1.00 31.90 O ATOM 12 CB LEU A 2 11.099 18.007 2.815 1.00 29.23 C ATOM 13 CG LEU A 2 11.322 16.956 1.934 1.00 37.71 C ATOM 14 CD1 LEU A 2 11.468 15.596 2.337 1.00 39.10 C ATOM 15 CD2 LEU A 2 11.423 17.268 0.300 1.00 37.47 C ATOM 16 N SER A 3 11.584 18.730 6.148 1.00 28.01 N ATOM 17 CA SER A 3 12.263 19.871 7.087 1.00 26.03 C ATOM 18 C SER A 3 13.304 20.329 6.300 1.00 25.99 C ATOM 19 O SER A 3 14.085 19.818 5.364 1.00 25.98 O ATOM 20 CB SER A 3 12.744 19.045 8.223 1.00 23.41 C ATOM 21 OG SER A 3 13.781 18.286 8.179 1.00 30.00 O ATOM 22 N PRO A 4 14.196 21.422 7.097 1.00 37.49 N ATOM 23 CA PRO A 4 15.048 21.890 6.206 1.00 38.81 C ATOM 24 C PRO A 4 16.464 21.282 6.288 1.00 25.63 C ATOM 25 O PRO A 4 17.212 20.899 5.409 1.00 34.38 O ATOM 26 CB PRO A 4 15.814 23.113 7.166 1.00 50.44 C ATOM 27 CG PRO A 4 14.493 23.536 7.638 1.00 43.42 C ATOM 28 CD PRO A 4 13.298 22.523 7.651 1.00 42.77 C ATOM 29 N ALA A 5 16.399 20.279 7.524 1.00 24.33 N ATOM 30 CA ALA A 5 17.552 19.622 7.588 1.00 24.06 C ATOM 31 C ALA A 5 17.376 18.283 6.601 1.00 20.01 C ATOM 32 O ALA A 5 18.422 17.849 6.010 1.00 24.46 O ATOM 33 CB ALA A 5 17.454 18.830 9.164 1.00 28.15 C ATOM 34 N ASP A 6 16.050 17.799 6.298 1.00 21.19 N ATOM 35 CA ASP A 6 15.881 16.887 5.120 1.00 23.14 C ATOM 36 C ASP A 6 16.573 17.497 3.915 1.00 15.75 C ATOM 37 O ASP A 6 17.240 16.611 3.235 1.00 18.92 O ATOM 38 CB ASP A 6 14.530 16.515 4.983 1.00 18.68 C ATOM 39 CG ASP A 6 13.966 15.638 6.125 1.00 21.70 C ATOM 40 OD1 ASP A 6 14.573 14.751 6.678 1.00 19.76 O ATOM 41 OD2 ASP A 6 12.734 15.931 6.321 1.00 21.26 O ATOM 42 N LYS A 7 16.082 18.800 3.719 1.00 15.62 N ATOM 43 CA LYS A 7 16.897 19.255 2.400 1.00 26.74 C ATOM 44 C LYS A 7 18.354 19.319 2.072 1.00 24.82 C ATOM 45 O LYS A 7 18.858 18.855 1.145 1.00 21.36 O ATOM 46 CB LYS A 7 16.022 20.503 2.054 1.00 28.73 C ATOM 47 CG LYS A 7 14.518 20.443 2.287 1.00 34.11 C ATOM 48 CD LYS A 7 13.833 21.967 2.124 1.00 46.50 C ATOM 49 CE LYS A 7 12.524 21.830 2.733 1.00 40.75 C ATOM 50 NZ LYS A 7 12.310 23.286 2.231 1.00 50.05 N ATOM 51 N THR A 8 18.879 19.583 3.554 1.00 20.80 N ATOM 52 CA THR A 8 20.359 19.452 3.495 1.00 23.21 C ATOM 53 C THR A 8 21.000 18.322 3.125 1.00 17.85 C ATOM 54 O THR A 8 21.907 17.957 2.500 1.00 20.04 O ATOM 55 CB THR A 8 20.762 20.269 4.939 1.00 31.90 C ATOM 56 OG1 THR A 8 20.363 21.458 4.886 1.00 31.01 O ATOM 57 CG2 THR A 8 22.026 20.115 4.978 1.00 43.78 C ATOM 58 N ASN A 9 20.249 17.203 3.818 1.00 16.13 N ATOM 59 CA ASN A 9 20.591 15.889 3.728 1.00 17.84 C ATOM 60 C ASN A 9 20.630 15.286 2.184 1.00 14.45 C ATOM 61 O ASN A 9 21.319 14.475 1.822 1.00 21.78 O ATOM 62 CB ASN A 9 19.836 14.946 4.644 1.00 20.10 C ATOM 63 CG ASN A 9 20.193 15.272 6.089 1.00 34.82 C ATOM 64 OD1 ASN A 9 21.294 15.680 6.444 1.00 26.93 O ATOM 65 ND2 ASN A 9 19.527 14.719 6.950 1.00 28.08 N ATOM 66 N VAL A 10 19.435 15.546 1.583 1.00 19.64 N ATOM 67 CA VAL A 10 19.157 15.110 0.179 1.00 13.04 C ATOM 68 C VAL A 10 20.341 15.904 -0.719 1.00 18.71 C ATOM 69 O VAL A 10 20.832 15.221 -1.618 1.00 22.34 O ATOM 70 CB VAL A 10 17.776 15.394 -0.119 1.00 19.07 C ATOM 71 CG1 VAL A 10 17.623 15.138 -1.549 1.00 21.59 C ATOM 72 CG2 VAL A 10 16.816 14.756 0.575 1.00 22.75 C ATOM 73 N LYS A 11 20.392 17.201 -0.404 1.00 18.31 N ATOM 74 CA LYS A 11 21.297 18.030 -1.415 1.00 24.80 C ATOM 75 C LYS A 11 22.762 17.451 -1.066 1.00 19.51 C ATOM 76 O LYS A 11 23.584 17.190 -2.069 1.00 22.33 O ATOM 77 CB LYS A 11 21.334 19.381 -1.059 1.00 39.77 C ATOM 78 CG LYS A 11 20.229 20.052 -1.350 1.00 34.41 C ATOM 79 CD LYS A 11 20.256 21.365 -1.389 1.00 46.95 C ATOM 80 CE LYS A 11 18.633 21.891 -2.358 1.00 49.55 C ATOM 81 NZ LYS A 11 18.398 23.088 -1.720 1.00 78.67 N ATOM 82 N ALA A 12 23.031 16.766 0.069 1.00 20.60 N ATOM 83 CA ALA A 12 24.347 16.671 -0.059 1.00 25.98 C ATOM 84 C ALA A 12 24.529 15.278 -0.129 1.00 38.04 C ATOM 85 O ALA A 12 25.505 14.711 -1.045 1.00 31.19 O ATOM 86 CB ALA A 12 24.641 16.359 1.529 1.00 28.13 C ATOM 87 N ALA A 13 23.581 14.281 -0.261 1.00 21.69 N ATOM 88 CA ALA A 13 23.822 13.010 -0.701 1.00 19.11 C ATOM 89 C ALA A 13 23.807 12.890 -2.423 1.00 22.93 C ATOM 90 O ALA A 13 24.517 12.116 -2.938 1.00 24.98 O ATOM 91 CB ALA A 13 22.612 12.109 -0.160 1.00 23.17 C ATOM 92 N TRP A 14 22.807 13.763 -2.832 1.00 22.14 N ATOM 93 CA TRP A 14 22.715 13.681 -4.311 1.00 21.27 C ATOM 94 C TRP A 14 24.007 14.453 -5.015 1.00 28.97 C ATOM 95 O TRP A 14 24.452 13.999 -6.086 1.00 27.61 O ATOM 96 CB TRP A 14 21.129 14.484 -4.728 1.00 29.00 C ATOM 97 CG TRP A 14 21.116 13.951 -5.830 1.00 25.79 C ATOM 98 CD1 TRP A 14 21.182 14.904 -7.199 1.00 22.38 C ATOM 99 CD2 TRP A 14 20.358 12.768 -6.306 1.00 20.46 C ATOM 100 NE1 TRP A 14 20.545 13.886 -8.152 1.00 29.74 N ATOM 101 CE2 TRP A 14 20.127 12.855 -7.917 1.00 27.75 C ATOM 102 CE3 TRP A 14 19.993 11.556 -5.760 1.00 34.00 C ATOM 103 CZ2 TRP A 14 19.685 11.924 -8.428 1.00 34.81 C ATOM 104 CZ3 TRP A 14 19.443 10.605 -6.677 1.00 42.11 C ATOM 105 CH2 TRP A 14 19.361 10.910 -7.988 1.00 47.54 C ATOM 106 N GLY A 15 24.563 15.294 -4.064 1.00 40.92 N ATOM 107 CA GLY A 15 25.545 16.032 -4.810 1.00 38.97 C ATOM 108 C GLY A 15 26.606 14.720 -4.643 1.00 34.61 C ATOM 109 O GLY A 15 27.532 14.956 -6.011 1.00 36.24 O ATOM 110 N LYS A 16 27.023 14.192 -4.019 1.00 35.37 N ATOM 111 CA LYS A 16 27.691 12.809 -3.990 1.00 29.09 C ATOM 112 C LYS A 16 27.692 11.980 -5.322 1.00 27.28 C ATOM 113 O LYS A 16 28.444 11.335 -5.752 1.00 36.62 O ATOM 114 CB LYS A 16 27.773 11.881 -2.758 1.00 30.47 C ATOM 115 CG LYS A 16 29.128 10.897 -2.949 1.00 47.02 C ATOM 116 CD LYS A 16 30.512 12.265 -2.454 1.00 66.41 C ATOM 117 CE LYS A 16 31.160 10.590 -3.127 1.00 65.00 C ATOM 118 NZ LYS A 16 31.293 9.343 -2.468 1.00 69.28 N ATOM 119 N VAL A 17 26.231 11.894 -5.716 1.00 40.63 N ATOM 120 CA VAL A 17 25.763 11.093 -6.580 1.00 32.19 C ATOM 121 C VAL A 17 26.644 11.417 -8.297 1.00 51.53 C ATOM 122 O VAL A 17 27.090 10.850 -8.486 1.00 36.95 O ATOM 123 CB VAL A 17 24.455 10.688 -6.704 1.00 24.77 C ATOM 124 CG1 VAL A 17 24.024 10.418 -8.088 1.00 21.73 C ATOM 125 CG2 VAL A 17 23.718 9.922 -5.546 1.00 23.90 C ATOM 126 N GLY A 18 26.340 12.947 -7.963 1.00 36.07 N ATOM 127 CA GLY A 18 27.063 13.723 -8.931 1.00 37.64 C ATOM 128 C GLY A 18 26.574 12.969 -10.560 1.00 27.84 C ATOM 129 O GLY A 18 25.253 13.110 -10.707 1.00 34.16 O ATOM 130 N ALA A 19 27.657 12.515 -11.022 1.00 35.70 N ATOM 131 CA ALA A 19 27.728 12.613 -12.429 1.00 37.59 C ATOM 132 C ALA A 19 27.500 10.976 -12.552 1.00 34.69 C ATOM 133 O ALA A 19 27.084 10.420 -13.842 1.00 48.59 O ATOM 134 CB ALA A 19 29.012 12.664 -13.280 1.00 46.19 C ATOM 135 N HIS A 20 27.156 10.119 -11.606 1.00 20.24 N ATOM 136 CA HIS A 20 26.883 8.665 -11.713 1.00 19.03 C ATOM 137 C HIS A 20 25.297 8.749 -11.742 1.00 17.82 C ATOM 138 O HIS A 20 24.744 7.547 -11.745 1.00 20.59 O ATOM 139 CB HIS A 20 27.211 8.007 -10.561 1.00 31.92 C ATOM 140 CG HIS A 20 28.495 7.629 -10.284 1.00 45.35 C ATOM 141 ND1 HIS A 20 29.488 7.023 -11.531 1.00 52.86 N ATOM 142 CD2 HIS A 20 29.445 8.698 -9.743 1.00 43.12 C ATOM 143 CE1 HIS A 20 30.546 7.246 -10.801 1.00 68.75 C ATOM 144 NE2 HIS A 20 30.729 7.865 -10.003 1.00 55.89 N ATOM 145 N ALA A 21 24.687 9.784 -11.799 1.00 29.55 N ATOM 146 CA ALA A 21 23.159 9.917 -11.488 1.00 29.36 C ATOM 147 C ALA A 21 22.579 8.284 -12.650 1.00 46.23 C ATOM 148 O ALA A 21 21.659 8.109 -12.129 1.00 27.88 O ATOM 149 CB ALA A 21 22.561 11.174 -11.335 1.00 28.64 C ATOM 150 N GLY A 22 22.741 9.029 -13.713 1.00 27.74 N ATOM 151 CA GLY A 22 22.302 7.955 -14.644 1.00 29.10 C ATOM 152 C GLY A 22 22.405 6.768 -14.523 1.00 40.30 C ATOM 153 O GLY A 22 21.884 5.714 -14.971 1.00 33.08 O ATOM 154 N GLU A 23 23.751 6.163 -14.331 1.00 22.76 N ATOM 155 CA GLU A 23 24.084 4.748 -14.144 1.00 14.60 C ATOM 156 C GLU A 23 23.211 4.210 -12.893 1.00 13.41 C ATOM 157 O GLU A 23 22.937 3.039 -12.842 1.00 16.24 O ATOM 158 CB GLU A 23 25.664 4.939 -13.797 1.00 20.16 C ATOM 159 CG GLU A 23 26.201 3.519 -13.776 1.00 40.65 C ATOM 160 CD GLU A 23 28.243 3.900 -13.483 1.00 70.75 C ATOM 161 OE1 GLU A 23 27.931 3.380 -11.875 1.00 57.57 O ATOM 162 OE2 GLU A 23 28.452 5.212 -13.971 1.00 57.46 O ATOM 163 N TYR A 24 23.179 5.044 -11.863 1.00 18.60 N ATOM 164 CA TYR A 24 22.505 4.593 -10.679 1.00 26.35 C ATOM 165 C TYR A 24 21.016 4.562 -11.095 1.00 17.67 C ATOM 166 O TYR A 24 20.360 3.603 -10.478 1.00 17.15 O ATOM 167 CB TYR A 24 22.464 5.807 -9.581 1.00 21.47 C ATOM 168 CG TYR A 24 23.992 5.643 -8.868 1.00 17.94 C ATOM 169 CD1 TYR A 24 24.282 6.445 -7.897 1.00 25.54 C ATOM 170 CD2 TYR A 24 24.950 4.858 -9.353 1.00 18.41 C ATOM 171 CE1 TYR A 24 25.677 6.369 -7.422 1.00 27.77 C ATOM 172 CE2 TYR A 24 26.305 4.768 -8.960 1.00 24.84 C ATOM 173 CZ TYR A 24 26.528 5.702 -7.748 1.00 28.92 C ATOM 174 OH TYR A 24 27.827 5.849 -7.564 1.00 33.79 O ATOM 175 N GLY A 25 20.378 5.478 -11.759 1.00 17.58 N ATOM 176 CA GLY A 25 19.016 5.420 -12.390 1.00 16.95 C ATOM 177 C GLY A 25 18.833 4.130 -12.941 1.00 12.93 C ATOM 178 O GLY A 25 17.819 3.343 -12.872 1.00 14.53 O ATOM 179 N ALA A 26 19.615 3.604 -13.915 1.00 15.78 N ATOM 180 CA ALA A 26 19.582 2.579 -14.539 1.00 18.05 C ATOM 181 C ALA A 26 19.480 1.089 -13.772 1.00 13.38 C ATOM 182 O ALA A 26 18.901 0.084 -13.805 1.00 13.68 O ATOM 183 CB ALA A 26 20.556 2.124 -15.501 1.00 21.17 C ATOM 184 N GLU A 27 20.535 1.124 -12.715 1.00 13.26 N ATOM 185 CA GLU A 27 20.575 0.021 -11.753 1.00 15.73 C ATOM 186 C GLU A 27 19.308 -0.043 -10.886 1.00 9.69 C ATOM 187 O GLU A 27 18.918 -1.164 -10.735 1.00 13.70 O ATOM 188 CB GLU A 27 21.903 0.397 -10.962 1.00 17.47 C ATOM 189 CG GLU A 27 21.998 -0.702 -9.888 1.00 16.72 C ATOM 190 CD GLU A 27 23.378 -0.554 -8.914 1.00 28.34 C ATOM 191 OE1 GLU A 27 23.164 -0.938 -7.844 1.00 20.53 O ATOM 192 OE2 GLU A 27 24.282 0.068 -9.385 1.00 20.32 O ATOM 193 N ALA A 28 18.802 1.101 -10.459 1.00 11.71 N ATOM 194 CA ALA A 28 17.589 1.092 -9.707 1.00 14.08 C ATOM 195 C ALA A 28 16.437 0.281 -10.410 1.00 18.50 C ATOM 196 O ALA A 28 15.609 -0.358 -10.010 1.00 12.43 O ATOM 197 CB ALA A 28 17.166 2.432 -9.252 1.00 19.09 C ATOM 198 N LEU A 29 16.400 0.918 -11.698 1.00 12.19 N ATOM 199 CA LEU A 29 15.328 0.075 -12.594 1.00 17.48 C ATOM 200 C LEU A 29 15.559 -1.439 -12.734 1.00 9.74 C ATOM 201 O LEU A 29 14.606 -2.189 -12.644 1.00 10.80 O ATOM 202 CB LEU A 29 15.302 0.859 -14.203 1.00 12.13 C ATOM 203 CG LEU A 29 14.894 2.291 -14.067 1.00 14.66 C ATOM 204 CD1 LEU A 29 15.261 2.690 -15.515 1.00 16.80 C ATOM 205 CD2 LEU A 29 13.402 2.225 -13.944 1.00 18.58 C ATOM 206 N GLU A 30 16.843 -1.859 -13.083 1.00 9.20 N ATOM 207 CA GLU A 30 17.065 -3.260 -13.067 1.00 11.66 C ATOM 208 C GLU A 30 16.682 -4.043 -11.806 1.00 13.48 C ATOM 209 O GLU A 30 16.222 -5.112 -11.842 1.00 17.00 O ATOM 210 CB GLU A 30 18.445 -3.450 -13.556 1.00 19.11 C ATOM 211 CG GLU A 30 18.613 -4.789 -13.421 1.00 27.23 C ATOM 212 CD GLU A 30 20.397 -5.050 -14.290 1.00 43.77 C ATOM 213 OE1 GLU A 30 21.034 -4.018 -14.191 1.00 45.21 O ATOM 214 OE2 GLU A 30 20.320 -6.204 -14.925 1.00 45.13 O ATOM 215 N ARG A 31 17.074 -3.325 -10.709 1.00 11.70 N ATOM 216 CA ARG A 31 16.706 -3.885 -9.384 1.00 13.69 C ATOM 217 C ARG A 31 15.116 -4.077 -9.266 1.00 13.95 C ATOM 218 O ARG A 31 14.772 -5.201 -8.729 1.00 16.42 O ATOM 219 CB ARG A 31 17.207 -3.143 -8.212 1.00 9.32 C ATOM 220 CG ARG A 31 18.786 -3.298 -8.162 1.00 14.85 C ATOM 221 CD ARG A 31 19.223 -2.383 -7.101 1.00 20.12 C ATOM 222 NE ARG A 31 20.863 -2.372 -6.759 1.00 14.83 N ATOM 223 CZ ARG A 31 21.361 -3.431 -6.210 1.00 13.22 C ATOM 224 NH1 ARG A 31 20.746 -4.460 -5.716 1.00 11.40 N ATOM 225 NH2 ARG A 31 22.719 -3.344 -6.301 1.00 17.34 N ATOM 226 N MET A 32 14.439 -3.020 -9.681 1.00 11.37 N ATOM 227 CA MET A 32 13.032 -3.139 -9.600 1.00 10.16 C ATOM 228 C MET A 32 12.471 -4.206 -10.484 1.00 12.10 C ATOM 229 O MET A 32 11.562 -5.027 -10.075 1.00 12.78 O ATOM 230 CB MET A 32 12.387 -1.842 -9.978 1.00 12.48 C ATOM 231 CG MET A 32 10.889 -1.620 -9.930 1.00 17.73 C ATOM 232 SD MET A 32 10.285 -0.089 -10.543 1.00 15.12 S ATOM 233 CE MET A 32 10.633 -0.449 -12.284 1.00 11.32 C ATOM 234 N PHE A 33 12.859 -4.341 -11.658 1.00 13.98 N ATOM 235 CA PHE A 33 12.423 -5.476 -12.584 1.00 16.07 C ATOM 236 C PHE A 33 12.551 -6.737 -12.305 1.00 12.29 C ATOM 237 O PHE A 33 11.788 -7.686 -12.349 1.00 14.84 O ATOM 238 CB PHE A 33 12.947 -5.237 -13.990 1.00 11.16 C ATOM 239 CG PHE A 33 12.536 -3.998 -14.641 1.00 10.01 C ATOM 240 CD1 PHE A 33 11.466 -3.383 -14.673 1.00 13.62 C ATOM 241 CD2 PHE A 33 13.679 -3.464 -15.536 1.00 19.46 C ATOM 242 CE1 PHE A 33 11.074 -2.180 -15.483 1.00 17.65 C ATOM 243 CE2 PHE A 33 13.177 -2.070 -16.087 1.00 14.83 C ATOM 244 CZ PHE A 33 12.158 -1.591 -16.095 1.00 12.93 C ATOM 245 N LEU A 34 13.735 -6.963 -11.432 1.00 16.04 N ATOM 246 CA LEU A 34 14.079 -8.337 -11.022 1.00 14.57 C ATOM 247 C LEU A 34 13.293 -8.578 -9.676 1.00 17.64 C ATOM 248 O LEU A 34 12.997 -9.724 -9.442 1.00 18.98 O ATOM 249 CB LEU A 34 15.453 -8.526 -10.814 1.00 18.08 C ATOM 250 CG LEU A 34 16.401 -8.680 -11.761 1.00 28.60 C ATOM 251 CD1 LEU A 34 17.957 -8.573 -11.703 1.00 25.37 C ATOM 252 CD2 LEU A 34 15.936 -9.330 -12.871 1.00 34.83 C ATOM 253 N SER A 35 13.220 -7.510 -8.706 1.00 15.41 N ATOM 254 CA SER A 35 12.815 -7.908 -7.502 1.00 14.95 C ATOM 255 C SER A 35 11.238 -7.909 -7.418 1.00 15.69 C ATOM 256 O SER A 35 10.517 -8.531 -6.585 1.00 14.29 O ATOM 257 CB SER A 35 13.131 -6.749 -6.442 1.00 13.14 C ATOM 258 OG SER A 35 14.485 -7.014 -6.085 1.00 17.78 O ATOM 259 N PHE A 36 10.680 -7.033 -8.262 1.00 13.54 N ATOM 260 CA PHE A 36 9.195 -6.850 -8.454 1.00 13.46 C ATOM 261 C PHE A 36 8.843 -6.910 -9.927 1.00 8.62 C ATOM 262 O PHE A 36 8.478 -5.788 -10.556 1.00 14.12 O ATOM 263 CB PHE A 36 8.936 -5.457 -7.919 1.00 16.50 C ATOM 264 CG PHE A 36 9.418 -4.974 -6.493 1.00 13.63 C ATOM 265 CD1 PHE A 36 10.591 -4.292 -6.329 1.00 11.92 C ATOM 266 CD2 PHE A 36 8.828 -5.831 -5.362 1.00 19.28 C ATOM 267 CE1 PHE A 36 11.048 -4.090 -5.054 1.00 15.75 C ATOM 268 CE2 PHE A 36 9.372 -5.629 -4.112 1.00 13.78 C ATOM 269 CZ PHE A 36 10.535 -4.872 -4.007 1.00 15.33 C ATOM 270 N PRO A 37 8.621 -8.156 -10.145 1.00 14.18 N ATOM 271 CA PRO A 37 8.292 -8.333 -11.715 1.00 17.12 C ATOM 272 C PRO A 37 7.088 -7.804 -12.224 1.00 17.85 C ATOM 273 O PRO A 37 6.976 -7.542 -13.453 1.00 18.50 O ATOM 274 CB PRO A 37 8.433 -9.844 -11.897 1.00 23.37 C ATOM 275 CG PRO A 37 8.573 -10.410 -10.572 1.00 28.27 C ATOM 276 CD PRO A 37 8.857 -9.204 -9.532 1.00 20.43 C ATOM 277 N THR A 38 6.105 -7.481 -11.322 1.00 18.86 N ATOM 278 CA THR A 38 4.849 -6.949 -11.938 1.00 14.66 C ATOM 279 C THR A 38 5.134 -5.609 -12.568 1.00 12.72 C ATOM 280 O THR A 38 4.433 -5.064 -13.326 1.00 15.75 O ATOM 281 CB THR A 38 3.879 -6.749 -10.732 1.00 19.10 C ATOM 282 OG1 THR A 38 4.340 -6.112 -9.661 1.00 18.82 O ATOM 283 CG2 THR A 38 3.543 -8.224 -10.416 1.00 22.69 C ATOM 284 N THR A 39 6.269 -4.882 -12.154 1.00 14.27 N ATOM 285 CA THR A 39 6.491 -3.556 -12.776 1.00 10.19 C ATOM 286 C THR A 39 6.886 -3.690 -14.302 1.00 10.17 C ATOM 287 O THR A 39 6.836 -2.719 -14.886 1.00 14.01 O ATOM 288 CB THR A 39 7.510 -2.917 -11.996 1.00 15.56 C ATOM 289 OG1 THR A 39 8.881 -3.562 -11.937 1.00 14.68 O ATOM 290 CG2 THR A 39 7.258 -2.652 -10.511 1.00 20.52 C ATOM 291 N LYS A 40 7.174 -4.831 -14.593 1.00 14.72 N ATOM 292 CA LYS A 40 7.574 -4.871 -15.954 1.00 15.89 C ATOM 293 C LYS A 40 6.392 -4.785 -17.012 1.00 21.37 C ATOM 294 O LYS A 40 6.437 -4.614 -18.103 1.00 15.72 O ATOM 295 CB LYS A 40 8.145 -6.482 -16.338 1.00 11.64 C ATOM 296 CG LYS A 40 9.529 -6.584 -15.725 1.00 16.19 C ATOM 297 CD LYS A 40 10.167 -7.889 -16.138 1.00 23.35 C ATOM 298 CE LYS A 40 9.677 -9.033 -15.597 1.00 24.42 C ATOM 299 NZ LYS A 40 10.352 -10.362 -15.922 1.00 19.04 N ATOM 300 N THR A 41 5.127 -4.865 -16.397 1.00 13.16 N ATOM 301 CA THR A 41 3.875 -4.707 -17.174 1.00 14.78 C ATOM 302 C THR A 41 3.932 -3.487 -17.746 1.00 15.32 C ATOM 303 O THR A 41 3.044 -3.054 -18.672 1.00 15.67 O ATOM 304 CB THR A 41 2.612 -5.037 -16.228 1.00 15.38 C ATOM 305 OG1 THR A 41 2.526 -4.071 -15.248 1.00 14.93 O ATOM 306 CG2 THR A 41 2.578 -6.405 -15.884 1.00 16.57 C ATOM 307 N TYR A 42 4.610 -2.356 -17.311 1.00 10.46 N ATOM 308 CA TYR A 42 4.398 -1.015 -17.861 1.00 12.73 C ATOM 309 C TYR A 42 5.571 -0.792 -19.101 1.00 7.07 C ATOM 310 O TYR A 42 5.611 0.312 -19.642 1.00 12.11 O ATOM 311 CB TYR A 42 4.898 -0.049 -16.794 1.00 14.67 C ATOM 312 CG TYR A 42 3.618 0.026 -15.875 1.00 13.54 C ATOM 313 CD1 TYR A 42 2.437 0.794 -16.095 1.00 19.68 C ATOM 314 CD2 TYR A 42 3.661 -0.765 -14.634 1.00 18.38 C ATOM 315 CE1 TYR A 42 1.433 0.570 -15.142 1.00 23.98 C ATOM 316 CE2 TYR A 42 2.601 -0.739 -13.758 1.00 13.41 C ATOM 317 CZ TYR A 42 1.469 -0.048 -14.033 1.00 18.96 C ATOM 318 OH TYR A 42 0.436 -0.054 -13.115 1.00 19.81 O ATOM 319 N PHE A 43 6.476 -1.826 -19.154 1.00 17.11 N ATOM 320 CA PHE A 43 7.621 -1.843 -20.115 1.00 18.18 C ATOM 321 C PHE A 43 7.472 -2.895 -21.133 1.00 24.86 C ATOM 322 O PHE A 43 8.506 -3.413 -21.456 1.00 22.13 O ATOM 323 CB PHE A 43 8.883 -1.731 -19.445 1.00 15.44 C ATOM 324 CG PHE A 43 9.117 -0.406 -18.576 1.00 14.36 C ATOM 325 CD1 PHE A 43 8.554 -0.479 -17.198 1.00 14.47 C ATOM 326 CD2 PHE A 43 9.564 0.739 -18.886 1.00 16.54 C ATOM 327 CE1 PHE A 43 8.777 0.624 -16.478 1.00 20.56 C ATOM 328 CE2 PHE A 43 9.747 1.973 -18.107 1.00 17.61 C ATOM 329 CZ PHE A 43 9.344 1.707 -16.778 1.00 18.88 C ATOM 330 N PRO A 44 6.315 -3.239 -21.641 1.00 18.09 N ATOM 331 CA PRO A 44 6.381 -4.414 -22.439 1.00 22.24 C ATOM 332 C PRO A 44 7.028 -3.933 -24.077 1.00 24.15 C ATOM 333 O PRO A 44 7.495 -4.754 -24.733 1.00 24.01 O ATOM 334 CB PRO A 44 5.048 -4.531 -22.752 1.00 28.44 C ATOM 335 CG PRO A 44 4.370 -3.210 -22.675 1.00 24.77 C ATOM 336 CD PRO A 44 5.151 -2.594 -21.501 1.00 21.37 C ATOM 337 N HIS A 45 7.181 -2.759 -24.200 1.00 22.61 N ATOM 338 CA HIS A 45 7.861 -2.190 -25.416 1.00 32.33 C ATOM 339 C HIS A 45 9.330 -2.042 -25.421 1.00 27.50 C ATOM 340 O HIS A 45 9.974 -1.539 -26.257 1.00 22.34 O ATOM 341 CB HIS A 45 7.358 -0.919 -25.693 1.00 28.91 C ATOM 342 CG HIS A 45 7.192 0.375 -24.801 1.00 24.48 C ATOM 343 ND1 HIS A 45 6.886 -0.058 -23.407 1.00 28.61 N ATOM 344 CD2 HIS A 45 7.956 1.463 -24.795 1.00 25.11 C ATOM 345 CE1 HIS A 45 7.011 1.085 -22.716 1.00 26.97 C ATOM 346 NE2 HIS A 45 7.765 2.042 -23.628 1.00 30.40 N ATOM 347 N PHE A 46 10.122 -2.386 -24.054 1.00 17.28 N ATOM 348 CA PHE A 46 11.455 -2.262 -23.909 1.00 16.89 C ATOM 349 C PHE A 46 12.005 -3.636 -24.127 1.00 16.17 C ATOM 350 O PHE A 46 11.604 -4.686 -23.635 1.00 18.14 O ATOM 351 CB PHE A 46 11.684 -1.700 -22.434 1.00 19.02 C ATOM 352 CG PHE A 46 11.699 -0.399 -22.451 1.00 24.73 C ATOM 353 CD1 PHE A 46 12.430 0.377 -21.434 1.00 19.60 C ATOM 354 CD2 PHE A 46 11.298 0.412 -23.118 1.00 32.07 C ATOM 355 CE1 PHE A 46 12.410 1.666 -21.260 1.00 16.62 C ATOM 356 CE2 PHE A 46 11.265 1.969 -23.113 1.00 32.95 C ATOM 357 CZ PHE A 46 11.777 2.738 -22.175 1.00 26.82 C ATOM 358 N ASP A 47 13.392 -3.464 -24.534 1.00 19.28 N ATOM 359 CA ASP A 47 14.201 -4.676 -24.267 1.00 21.11 C ATOM 360 C ASP A 47 14.839 -4.498 -22.659 1.00 19.86 C ATOM 361 O ASP A 47 15.431 -3.489 -22.547 1.00 21.26 O ATOM 362 CB ASP A 47 15.523 -4.420 -25.240 1.00 18.49 C ATOM 363 CG ASP A 47 16.401 -5.761 -25.037 1.00 31.25 C ATOM 364 OD1 ASP A 47 16.311 -6.607 -24.275 1.00 29.75 O ATOM 365 OD2 ASP A 47 17.439 -5.328 -25.588 1.00 43.41 O ATOM 366 N LEU A 48 14.368 -5.324 -22.041 1.00 24.03 N ATOM 367 CA LEU A 48 14.753 -5.341 -20.734 1.00 18.27 C ATOM 368 C LEU A 48 15.791 -6.404 -20.198 1.00 36.02 C ATOM 369 O LEU A 48 16.171 -6.209 -19.141 1.00 39.74 O ATOM 370 CB LEU A 48 13.415 -5.610 -19.721 1.00 19.69 C ATOM 371 CG LEU A 48 12.489 -4.486 -19.789 1.00 21.82 C ATOM 372 CD1 LEU A 48 11.174 -5.208 -18.951 1.00 33.27 C ATOM 373 CD2 LEU A 48 12.620 -3.262 -19.549 1.00 24.10 C ATOM 374 N SER A 49 16.783 -6.499 -21.225 1.00 29.95 N ATOM 375 CA SER A 49 18.122 -7.384 -21.060 1.00 36.57 C ATOM 376 C SER A 49 18.846 -6.374 -20.277 1.00 27.84 C ATOM 377 O SER A 49 19.000 -5.086 -20.358 1.00 22.88 O ATOM 378 CB SER A 49 18.154 -8.122 -22.211 1.00 37.22 C ATOM 379 OG SER A 49 18.651 -7.428 -22.904 1.00 43.53 O ATOM 380 N HIS A 50 19.910 -7.126 -19.381 1.00 28.70 N ATOM 381 CA HIS A 50 20.458 -5.929 -18.816 1.00 33.73 C ATOM 382 C HIS A 50 21.497 -5.179 -19.493 1.00 26.32 C ATOM 383 O HIS A 50 22.162 -5.918 -20.594 1.00 31.00 O ATOM 384 CB HIS A 50 21.839 -7.147 -17.996 1.00 52.72 C ATOM 385 CG HIS A 50 22.748 -6.326 -17.477 1.00 44.40 C ATOM 386 ND1 HIS A 50 22.626 -5.701 -16.215 1.00 33.80 N ATOM 387 CD2 HIS A 50 24.218 -6.937 -17.247 1.00 47.43 C ATOM 388 CE1 HIS A 50 23.812 -5.042 -15.891 1.00 41.56 C ATOM 389 NE2 HIS A 50 24.721 -5.696 -16.698 1.00 46.05 N ATOM 390 N GLY A 51 21.750 -4.254 -19.494 1.00 24.77 N ATOM 391 CA GLY A 51 22.455 -3.151 -20.084 1.00 47.57 C ATOM 392 C GLY A 51 21.857 -2.536 -21.373 1.00 38.90 C ATOM 393 O GLY A 51 22.594 -2.038 -22.085 1.00 36.29 O ATOM 394 N SER A 52 20.675 -3.017 -21.484 1.00 31.32 N ATOM 395 CA SER A 52 19.963 -2.196 -22.851 1.00 26.23 C ATOM 396 C SER A 52 20.134 -0.997 -22.782 1.00 16.57 C ATOM 397 O SER A 52 19.933 -0.129 -21.983 1.00 20.02 O ATOM 398 CB SER A 52 18.619 -2.881 -22.964 1.00 27.24 C ATOM 399 OG SER A 52 17.746 -2.046 -22.388 1.00 23.82 O ATOM 400 N ALA A 53 20.194 -0.382 -24.103 1.00 17.74 N ATOM 401 CA ALA A 53 20.270 0.998 -24.154 1.00 23.86 C ATOM 402 C ALA A 53 18.923 1.773 -23.848 1.00 16.18 C ATOM 403 O ALA A 53 18.953 2.849 -23.330 1.00 19.42 O ATOM 404 CB ALA A 53 20.303 1.395 -25.787 1.00 25.47 C ATOM 405 N GLN A 54 17.736 0.981 -23.874 1.00 20.85 N ATOM 406 CA GLN A 54 16.512 1.657 -23.573 1.00 13.59 C ATOM 407 C GLN A 54 16.574 1.828 -21.914 1.00 19.26 C ATOM 408 O GLN A 54 15.942 2.867 -21.609 1.00 20.48 O ATOM 409 CB GLN A 54 15.353 0.611 -23.904 1.00 15.39 C ATOM 410 CG GLN A 54 14.983 0.803 -25.364 1.00 20.40 C ATOM 411 CD GLN A 54 14.209 -0.311 -25.782 1.00 15.48 C ATOM 412 OE1 GLN A 54 14.579 -1.521 -25.849 1.00 23.45 O ATOM 413 NE2 GLN A 54 13.268 -0.063 -26.856 1.00 19.86 N ATOM 414 N VAL A 55 16.964 0.770 -21.300 1.00 16.87 N ATOM 415 CA VAL A 55 17.057 0.967 -19.825 1.00 16.48 C ATOM 416 C VAL A 55 17.956 2.003 -19.318 1.00 17.36 C ATOM 417 O VAL A 55 17.791 2.873 -18.570 1.00 18.40 O ATOM 418 CB VAL A 55 17.306 -0.514 -19.268 1.00 14.78 C ATOM 419 CG1 VAL A 55 17.609 -0.401 -17.796 1.00 21.77 C ATOM 420 CG2 VAL A 55 16.107 -1.297 -19.446 1.00 16.83 C ATOM 421 N LYS A 56 19.228 1.986 -19.953 1.00 16.43 N ATOM 422 CA LYS A 56 20.094 3.039 -19.797 1.00 16.52 C ATOM 423 C LYS A 56 19.566 4.272 -19.699 1.00 21.58 C ATOM 424 O LYS A 56 19.825 5.350 -19.163 1.00 20.11 O ATOM 425 CB LYS A 56 21.563 2.786 -20.316 1.00 18.35 C ATOM 426 CG LYS A 56 21.968 1.412 -19.848 1.00 28.49 C ATOM 427 CD LYS A 56 23.832 1.798 -20.631 1.00 44.71 C ATOM 428 CE LYS A 56 24.647 0.185 -20.276 1.00 47.65 C ATOM 429 NZ LYS A 56 26.042 0.618 -20.926 1.00 52.31 N ATOM 430 N GLY A 57 19.018 4.549 -21.123 1.00 17.21 N ATOM 431 CA GLY A 57 18.386 5.829 -21.439 1.00 25.10 C ATOM 432 C GLY A 57 17.163 6.322 -20.441 1.00 19.44 C ATOM 433 O GLY A 57 17.339 7.478 -20.078 1.00 20.54 O ATOM 434 N HIS A 58 16.465 5.322 -20.170 1.00 18.79 N ATOM 435 CA HIS A 58 15.350 5.701 -19.218 1.00 20.27 C ATOM 436 C HIS A 58 15.995 6.080 -17.623 1.00 13.51 C ATOM 437 O HIS A 58 15.432 7.056 -17.182 1.00 17.47 O ATOM 438 CB HIS A 58 14.449 4.447 -19.262 1.00 17.90 C ATOM 439 CG HIS A 58 13.058 4.996 -18.478 1.00 15.76 C ATOM 440 ND1 HIS A 58 12.287 6.114 -18.800 1.00 20.40 N ATOM 441 CD2 HIS A 58 12.522 4.394 -17.450 1.00 20.31 C ATOM 442 CE1 HIS A 58 11.473 6.092 -17.719 1.00 20.13 C ATOM 443 NE2 HIS A 58 11.497 5.103 -17.065 1.00 21.08 N ATOM 444 N GLY A 59 16.881 5.222 -17.443 1.00 14.95 N ATOM 445 CA GLY A 59 17.562 5.623 -16.096 1.00 18.11 C ATOM 446 C GLY A 59 18.124 6.806 -15.942 1.00 19.85 C ATOM 447 O GLY A 59 17.932 7.718 -15.003 1.00 15.36 O ATOM 448 N LYS A 60 18.701 7.399 -17.074 1.00 17.17 N ATOM 449 CA LYS A 60 19.105 8.846 -17.109 1.00 18.34 C ATOM 450 C LYS A 60 18.266 9.905 -16.940 1.00 18.03 C ATOM 451 O LYS A 60 18.249 10.847 -16.377 1.00 18.72 O ATOM 452 CB LYS A 60 20.142 9.096 -18.402 1.00 30.65 C ATOM 453 CG LYS A 60 20.617 10.355 -18.546 1.00 41.57 C ATOM 454 CD LYS A 60 21.486 10.272 -19.721 1.00 63.44 C ATOM 455 CE LYS A 60 22.042 12.123 -19.760 1.00 44.10 C ATOM 456 NZ LYS A 60 23.253 10.931 -21.838 1.00 49.08 N ATOM 457 N LYS A 61 17.057 9.480 -17.740 1.00 16.33 N ATOM 458 CA LYS A 61 15.986 10.442 -17.612 1.00 17.87 C ATOM 459 C LYS A 61 15.127 10.479 -16.158 1.00 14.89 C ATOM 460 O LYS A 61 14.981 11.608 -15.829 1.00 19.71 O ATOM 461 CB LYS A 61 14.717 10.033 -18.529 1.00 25.67 C ATOM 462 CG LYS A 61 14.971 10.361 -20.143 1.00 41.04 C ATOM 463 CD LYS A 61 13.959 9.646 -21.043 1.00 54.25 C ATOM 464 CE LYS A 61 14.061 9.666 -21.851 1.00 78.95 C ATOM 465 NZ LYS A 61 13.029 9.011 -23.092 1.00 43.58 N ATOM 466 N VAL A 62 15.316 9.304 -15.709 1.00 15.10 N ATOM 467 CA VAL A 62 14.699 9.322 -14.234 1.00 16.18 C ATOM 468 C VAL A 62 15.686 10.200 -13.093 1.00 18.93 C ATOM 469 O VAL A 62 15.095 11.051 -12.555 1.00 16.64 O ATOM 470 CB VAL A 62 14.660 7.890 -13.835 1.00 13.59 C ATOM 471 CG1 VAL A 62 14.141 7.704 -12.419 1.00 20.28 C ATOM 472 CG2 VAL A 62 13.407 7.365 -14.552 1.00 17.24 C ATOM 473 N ALA A 63 16.863 9.822 -13.546 1.00 18.60 N ATOM 474 CA ALA A 63 17.806 10.661 -12.634 1.00 14.91 C ATOM 475 C ALA A 63 18.050 11.967 -12.922 1.00 18.47 C ATOM 476 O ALA A 63 17.940 12.889 -11.976 1.00 18.58 O ATOM 477 CB ALA A 63 19.170 9.768 -12.782 1.00 37.76 C ATOM 478 N ASP A 64 17.821 12.573 -14.198 1.00 16.80 N ATOM 479 CA ASP A 64 17.733 13.912 -14.174 1.00 24.74 C ATOM 480 C ASP A 64 16.549 14.773 -13.697 1.00 17.12 C ATOM 481 O ASP A 64 16.672 15.717 -13.116 1.00 22.08 O ATOM 482 CB ASP A 64 17.603 14.212 -15.737 1.00 35.97 C ATOM 483 CG ASP A 64 19.349 14.293 -16.612 1.00 31.06 C ATOM 484 OD1 ASP A 64 20.156 13.672 -15.497 1.00 35.72 O ATOM 485 OD2 ASP A 64 18.977 14.172 -17.839 1.00 43.58 O ATOM 486 N ALA A 65 15.332 13.912 -13.869 1.00 13.28 N ATOM 487 CA ALA A 65 14.329 14.415 -13.017 1.00 17.27 C ATOM 488 C ALA A 65 14.445 14.482 -11.415 1.00 13.03 C ATOM 489 O ALA A 65 13.989 15.536 -11.013 1.00 17.77 O ATOM 490 CB ALA A 65 12.982 13.578 -13.361 1.00 23.35 C ATOM 491 N LEU A 66 15.162 13.498 -11.063 1.00 15.51 N ATOM 492 CA LEU A 66 15.339 13.706 -9.605 1.00 11.63 C ATOM 493 C LEU A 66 16.337 14.754 -9.333 1.00 19.15 C ATOM 494 O LEU A 66 16.146 15.585 -8.334 1.00 19.52 O ATOM 495 CB LEU A 66 15.829 12.371 -9.144 1.00 13.76 C ATOM 496 CG LEU A 66 14.823 11.115 -8.963 1.00 19.82 C ATOM 497 CD1 LEU A 66 15.489 9.880 -8.746 1.00 18.79 C ATOM 498 CD2 LEU A 66 13.658 11.434 -8.143 1.00 21.54 C ATOM 499 N THR A 67 17.286 14.890 -10.137 1.00 15.35 N ATOM 500 CA THR A 67 18.223 15.978 -10.096 1.00 19.22 C ATOM 501 C THR A 67 17.538 17.420 -10.103 1.00 19.35 C ATOM 502 O THR A 67 17.647 18.426 -9.135 1.00 25.50 O ATOM 503 CB THR A 67 19.391 15.815 -10.975 1.00 27.92 C ATOM 504 OG1 THR A 67 20.048 14.951 -10.890 1.00 31.77 O ATOM 505 CG2 THR A 67 20.007 17.263 -11.105 1.00 31.55 C ATOM 506 N ASN A 68 16.575 17.470 -11.016 1.00 18.73 N ATOM 507 CA ASN A 68 15.744 18.747 -11.028 1.00 18.68 C ATOM 508 C ASN A 68 14.923 18.912 -9.894 1.00 24.52 C ATOM 509 O ASN A 68 14.765 20.137 -9.247 1.00 25.75 O ATOM 510 CB ASN A 68 14.756 18.608 -12.121 1.00 25.79 C ATOM 511 CG ASN A 68 13.735 19.831 -12.299 1.00 36.65 C ATOM 512 OD1 ASN A 68 14.126 20.875 -12.151 1.00 38.63 O ATOM 513 ND2 ASN A 68 12.596 19.698 -13.037 1.00 39.67 N ATOM 514 N ALA A 69 14.365 17.791 -9.099 1.00 17.85 N ATOM 515 CA ALA A 69 13.480 18.120 -7.964 1.00 16.12 C ATOM 516 C ALA A 69 14.454 18.477 -6.733 1.00 15.28 C ATOM 517 O ALA A 69 14.055 19.178 -5.996 1.00 20.90 O ATOM 518 CB ALA A 69 13.019 16.796 -7.635 1.00 21.91 C ATOM 519 N VAL A 70 15.742 17.807 -6.739 1.00 18.42 N ATOM 520 CA VAL A 70 16.670 18.320 -5.560 1.00 18.79 C ATOM 521 C VAL A 70 17.052 19.774 -5.743 1.00 21.40 C ATOM 522 O VAL A 70 16.986 20.472 -4.749 1.00 22.44 O ATOM 523 CB VAL A 70 17.782 17.521 -5.616 1.00 19.75 C ATOM 524 CG1 VAL A 70 19.021 17.739 -4.714 1.00 24.49 C ATOM 525 CG2 VAL A 70 17.476 16.043 -5.206 1.00 30.23 C ATOM 526 N ALA A 71 17.156 20.293 -6.971 1.00 20.17 N ATOM 527 CA ALA A 71 17.389 21.815 -7.308 1.00 23.56 C ATOM 528 C ALA A 71 16.370 22.294 -6.912 1.00 25.98 C ATOM 529 O ALA A 71 16.635 23.655 -6.511 1.00 33.09 O ATOM 530 CB ALA A 71 17.654 21.789 -8.655 1.00 32.78 C ATOM 531 N HIS A 72 15.081 22.080 -6.888 1.00 23.78 N ATOM 532 CA HIS A 72 13.997 22.837 -6.617 1.00 21.95 C ATOM 533 C HIS A 72 13.181 22.411 -5.617 1.00 20.17 C ATOM 534 O HIS A 72 11.897 22.212 -5.613 1.00 23.99 O ATOM 535 CB HIS A 72 12.821 22.953 -7.947 1.00 35.07 C ATOM 536 CG HIS A 72 13.866 23.277 -8.689 1.00 34.89 C ATOM 537 ND1 HIS A 72 13.873 24.932 -9.510 1.00 43.74 N ATOM 538 CD2 HIS A 72 14.464 23.117 -10.031 1.00 29.96 C ATOM 539 CE1 HIS A 72 15.153 25.255 -9.959 1.00 41.69 C ATOM 540 NE2 HIS A 72 15.223 24.225 -10.948 1.00 44.85 N ATOM 541 N VAL A 73 13.752 21.857 -4.446 1.00 23.31 N ATOM 542 CA VAL A 73 13.057 21.077 -3.315 1.00 23.32 C ATOM 543 C VAL A 73 12.075 21.651 -2.904 1.00 32.07 C ATOM 544 O VAL A 73 10.955 21.485 -2.533 1.00 42.18 O ATOM 545 CB VAL A 73 13.998 20.556 -2.485 1.00 41.19 C ATOM 546 CG1 VAL A 73 14.923 21.399 -1.795 1.00 52.76 C ATOM 547 CG2 VAL A 73 13.799 19.262 -2.036 1.00 47.91 C ATOM 548 N ASP A 74 12.275 23.065 -2.789 1.00 30.40 N ATOM 549 CA ASP A 74 11.145 24.002 -2.142 1.00 34.95 C ATOM 550 C ASP A 74 10.049 24.015 -3.350 1.00 50.97 C ATOM 551 O ASP A 74 9.132 24.778 -2.717 1.00 49.62 O ATOM 552 CB ASP A 74 11.678 25.422 -2.020 1.00 42.77 C ATOM 553 CG ASP A 74 12.830 25.304 -0.645 1.00 52.01 C ATOM 554 OD1 ASP A 74 12.752 24.865 0.015 1.00 49.67 O ATOM 555 OD2 ASP A 74 14.337 25.661 -0.918 1.00 51.46 O ATOM 556 N ASP A 75 9.922 23.915 -4.261 1.00 36.55 N ATOM 557 CA ASP A 75 8.668 23.936 -5.208 1.00 36.46 C ATOM 558 C ASP A 75 8.874 22.788 -6.315 1.00 19.07 C ATOM 559 O ASP A 75 8.567 23.036 -7.581 1.00 22.77 O ATOM 560 CB ASP A 75 9.451 25.163 -6.540 1.00 64.13 C ATOM 561 CG ASP A 75 8.868 25.436 -6.330 1.00 74.46 C ATOM 562 OD1 ASP A 75 7.314 26.337 -6.605 1.00 47.43 O ATOM 563 OD2 ASP A 75 8.881 25.994 -8.289 1.00 60.83 O ATOM 564 N MET A 76 8.625 21.775 -5.634 1.00 28.83 N ATOM 565 CA MET A 76 8.674 20.530 -6.647 1.00 25.75 C ATOM 566 C MET A 76 7.271 20.288 -7.401 1.00 26.47 C ATOM 567 O MET A 76 7.358 19.996 -8.579 1.00 25.06 O ATOM 568 CB MET A 76 8.643 19.305 -5.552 1.00 26.87 C ATOM 569 CG MET A 76 9.740 19.092 -5.553 1.00 44.91 C ATOM 570 SD MET A 76 10.207 17.317 -4.716 1.00 43.69 S ATOM 571 CE MET A 76 10.186 17.272 -3.278 1.00 47.45 C ATOM 572 N PRO A 77 6.289 20.734 -6.858 1.00 24.72 N ATOM 573 CA PRO A 77 5.288 21.011 -7.720 1.00 32.25 C ATOM 574 C PRO A 77 5.404 21.500 -8.895 1.00 33.71 C ATOM 575 O PRO A 77 4.843 20.983 -10.107 1.00 27.50 O ATOM 576 CB PRO A 77 3.868 21.504 -6.885 1.00 35.42 C ATOM 577 CG PRO A 77 4.538 21.027 -5.570 1.00 42.65 C ATOM 578 CD PRO A 77 5.873 20.979 -5.490 1.00 26.77 C ATOM 579 N ASN A 78 5.832 22.745 -9.066 1.00 28.71 N ATOM 580 CA ASN A 78 5.931 23.542 -10.146 1.00 29.25 C ATOM 581 C ASN A 78 7.105 22.960 -10.923 1.00 25.30 C ATOM 582 O ASN A 78 7.043 22.562 -12.258 1.00 31.49 O ATOM 583 CB ASN A 78 6.292 25.075 -10.189 1.00 52.85 C ATOM 584 CG ASN A 78 5.615 25.627 -10.060 1.00 62.76 C ATOM 585 OD1 ASN A 78 4.765 26.184 -8.258 1.00 71.55 O ATOM 586 ND2 ASN A 78 4.594 25.811 -10.486 1.00 72.60 N ATOM 587 N ALA A 79 8.114 22.456 -10.315 1.00 21.06 N ATOM 588 CA ALA A 79 9.264 21.897 -10.989 1.00 28.88 C ATOM 589 C ALA A 79 8.963 20.522 -11.944 1.00 27.69 C ATOM 590 O ALA A 79 9.465 20.431 -13.022 1.00 25.51 O ATOM 591 CB ALA A 79 10.294 21.701 -10.105 1.00 35.64 C ATOM 592 N LEU A 80 8.232 19.781 -11.312 1.00 22.21 N ATOM 593 CA LEU A 80 7.767 18.341 -11.815 1.00 24.91 C ATOM 594 C LEU A 80 6.510 18.562 -12.698 1.00 29.49 C ATOM 595 O LEU A 80 5.875 17.479 -12.950 1.00 21.47 O ATOM 596 CB LEU A 80 7.734 17.285 -10.765 1.00 17.03 C ATOM 597 CG LEU A 80 9.126 17.077 -10.078 1.00 26.04 C ATOM 598 CD1 LEU A 80 8.930 16.109 -9.016 1.00 30.97 C ATOM 599 CD2 LEU A 80 10.040 16.545 -11.282 1.00 40.31 C ATOM 600 N SER A 81 5.857 19.827 -12.942 1.00 21.07 N ATOM 601 CA SER A 81 4.431 19.687 -13.335 1.00 18.09 C ATOM 602 C SER A 81 4.363 19.087 -14.671 1.00 20.48 C ATOM 603 O SER A 81 3.314 18.257 -14.890 1.00 25.77 O ATOM 604 CB SER A 81 4.467 21.619 -13.861 1.00 32.64 C ATOM 605 OG SER A 81 2.994 21.456 -13.913 1.00 44.30 O ATOM 606 N ALA A 82 5.219 18.957 -15.594 1.00 23.80 N ATOM 607 CA ALA A 82 5.295 18.397 -16.849 1.00 21.23 C ATOM 608 C ALA A 82 5.047 16.984 -16.596 1.00 19.91 C ATOM 609 O ALA A 82 4.419 16.133 -17.266 1.00 24.36 O ATOM 610 CB ALA A 82 6.433 18.664 -17.830 1.00 22.94 C ATOM 611 N LEU A 83 6.039 16.444 -15.755 1.00 18.35 N ATOM 612 CA LEU A 83 5.983 14.900 -15.664 1.00 19.01 C ATOM 613 C LEU A 83 4.967 14.491 -14.735 1.00 18.91 C ATOM 614 O LEU A 83 4.393 13.347 -14.967 1.00 18.17 O ATOM 615 CB LEU A 83 7.250 14.624 -14.735 1.00 22.27 C ATOM 616 CG LEU A 83 8.130 13.821 -15.009 1.00 34.66 C ATOM 617 CD1 LEU A 83 8.449 13.918 -16.558 1.00 28.24 C ATOM 618 CD2 LEU A 83 9.756 14.153 -14.680 1.00 38.79 C ATOM 619 N SER A 84 4.321 15.210 -13.869 1.00 13.22 N ATOM 620 CA SER A 84 3.091 14.769 -13.309 1.00 14.54 C ATOM 621 C SER A 84 1.806 14.643 -14.240 1.00 13.50 C ATOM 622 O SER A 84 1.081 13.802 -14.037 1.00 20.19 O ATOM 623 CB SER A 84 2.316 15.701 -11.953 1.00 25.45 C ATOM 624 OG SER A 84 3.028 16.684 -12.075 1.00 36.19 O ATOM 625 N ASP A 85 1.894 15.645 -15.194 1.00 15.99 N ATOM 626 CA ASP A 85 0.657 15.457 -16.246 1.00 18.10 C ATOM 627 C ASP A 85 0.872 14.320 -17.117 1.00 20.71 C ATOM 628 O ASP A 85 0.085 13.524 -17.249 1.00 20.01 O ATOM 629 CB ASP A 85 0.847 16.636 -17.207 1.00 30.89 C ATOM 630 CG ASP A 85 0.240 17.791 -16.350 1.00 57.00 C ATOM 631 OD1 ASP A 85 -0.408 17.890 -15.984 1.00 51.34 O ATOM 632 OD2 ASP A 85 0.645 19.250 -17.189 1.00 50.68 O ATOM 633 N LEU A 86 2.217 13.883 -17.444 1.00 20.13 N ATOM 634 CA LEU A 86 2.516 12.802 -18.225 1.00 17.03 C ATOM 635 C LEU A 86 2.094 11.499 -17.604 1.00 14.48 C ATOM 636 O LEU A 86 1.613 10.536 -18.155 1.00 18.46 O ATOM 637 CB LEU A 86 4.085 12.859 -18.555 1.00 16.01 C ATOM 638 CG LEU A 86 4.479 11.856 -19.204 1.00 23.66 C ATOM 639 CD1 LEU A 86 4.217 11.927 -20.682 1.00 40.43 C ATOM 640 CD2 LEU A 86 6.063 11.399 -19.455 1.00 33.72 C ATOM 641 N HIS A 87 2.488 11.534 -16.185 1.00 12.17 N ATOM 642 CA HIS A 87 2.237 10.125 -15.649 1.00 12.85 C ATOM 643 C HIS A 87 0.524 10.055 -15.280 1.00 15.39 C ATOM 644 O HIS A 87 0.114 8.957 -15.394 1.00 15.03 O ATOM 645 CB HIS A 87 2.873 10.043 -14.177 1.00 13.63 C ATOM 646 CG HIS A 87 4.357 9.531 -14.510 1.00 14.91 C ATOM 647 ND1 HIS A 87 5.315 10.638 -14.847 1.00 15.35 N ATOM 648 CD2 HIS A 87 5.128 8.461 -14.450 1.00 17.85 C ATOM 649 CE1 HIS A 87 6.425 9.938 -15.110 1.00 15.29 C ATOM 650 NE2 HIS A 87 6.410 8.672 -14.776 1.00 15.64 N ATOM 651 N ALA A 88 0.070 11.240 -15.092 1.00 19.56 N ATOM 652 CA ALA A 88 -1.450 11.245 -14.731 1.00 16.45 C ATOM 653 C ALA A 88 -2.307 10.782 -16.164 1.00 28.29 C ATOM 654 O ALA A 88 -3.217 10.321 -15.884 1.00 25.27 O ATOM 655 CB ALA A 88 -1.985 12.408 -13.954 1.00 17.34 C ATOM 656 N HIS A 89 -1.856 11.542 -17.115 1.00 21.56 N ATOM 657 CA HIS A 89 -2.652 11.471 -18.284 1.00 29.42 C ATOM 658 C HIS A 89 -2.430 10.590 -19.375 1.00 27.17 C ATOM 659 O HIS A 89 -3.237 9.974 -20.183 1.00 22.35 O ATOM 660 CB HIS A 89 -2.855 12.836 -18.839 1.00 26.26 C ATOM 661 CG HIS A 89 -3.474 13.775 -17.933 1.00 44.45 C ATOM 662 ND1 HIS A 89 -4.582 13.545 -17.082 1.00 45.59 N ATOM 663 CD2 HIS A 89 -3.036 15.133 -17.376 1.00 45.61 C ATOM 664 CE1 HIS A 89 -4.931 14.373 -15.965 1.00 42.72 C ATOM 665 NE2 HIS A 89 -3.969 15.212 -16.507 1.00 43.49 N ATOM 666 N LYS A 90 -1.237 10.085 -19.553 1.00 18.65 N ATOM 667 CA LYS A 90 -0.701 9.212 -20.311 1.00 28.92 C ATOM 668 C LYS A 90 -0.235 7.836 -20.094 1.00 28.09 C ATOM 669 O LYS A 90 -0.814 6.865 -20.213 1.00 25.04 O ATOM 670 CB LYS A 90 0.483 9.973 -21.248 1.00 32.47 C ATOM 671 CG LYS A 90 -0.258 11.271 -22.102 1.00 49.97 C ATOM 672 CD LYS A 90 -1.161 11.150 -22.865 1.00 58.54 C ATOM 673 CE LYS A 90 -0.717 12.584 -23.928 1.00 66.22 C ATOM 674 NZ LYS A 90 -3.148 11.648 -24.501 1.00 63.54 N ATOM 675 N LEU A 91 0.684 7.834 -19.083 1.00 17.50 N ATOM 676 CA LEU A 91 1.357 6.678 -18.728 1.00 15.47 C ATOM 677 C LEU A 91 0.469 5.814 -17.729 1.00 18.54 C ATOM 678 O LEU A 91 0.360 4.623 -17.933 1.00 17.03 O ATOM 679 CB LEU A 91 2.810 6.867 -17.956 1.00 13.84 C ATOM 680 CG LEU A 91 3.828 7.564 -18.848 1.00 16.01 C ATOM 681 CD1 LEU A 91 4.943 7.934 -18.256 1.00 18.27 C ATOM 682 CD2 LEU A 91 3.998 6.811 -20.081 1.00 22.12 C ATOM 683 N ARG A 92 -0.013 6.544 -16.785 1.00 18.03 N ATOM 684 CA ARG A 92 -1.120 5.962 -15.831 1.00 14.41 C ATOM 685 C ARG A 92 -0.663 4.876 -15.136 1.00 15.84 C ATOM 686 O ARG A 92 -1.280 3.746 -14.964 1.00 17.92 O ATOM 687 CB ARG A 92 -2.457 5.762 -16.768 1.00 18.61 C ATOM 688 CG ARG A 92 -3.108 6.901 -17.068 1.00 25.14 C ATOM 689 CD ARG A 92 -3.735 6.578 -19.206 1.00 53.25 C ATOM 690 NE ARG A 92 -4.375 7.010 -18.108 1.00 51.61 N ATOM 691 CZ ARG A 92 -5.273 6.721 -20.498 1.00 59.18 C ATOM 692 NH1 ARG A 92 -4.092 6.059 -21.138 1.00 31.30 N ATOM 693 NH2 ARG A 92 -6.080 6.715 -20.222 1.00 36.70 N ATOM 694 N VAL A 93 0.444 4.876 -14.510 1.00 14.32 N ATOM 695 CA VAL A 93 1.119 3.933 -13.665 1.00 16.19 C ATOM 696 C VAL A 93 0.472 3.844 -12.448 1.00 13.83 C ATOM 697 O VAL A 93 0.272 4.879 -11.643 1.00 14.88 O ATOM 698 CB VAL A 93 2.564 4.273 -13.453 1.00 12.60 C ATOM 699 CG1 VAL A 93 3.153 3.301 -12.513 1.00 15.68 C ATOM 700 CG2 VAL A 93 3.314 4.342 -14.815 1.00 15.91 C ATOM 701 N ASP A 94 0.015 2.696 -11.867 1.00 14.66 N ATOM 702 CA ASP A 94 -0.813 2.633 -10.611 1.00 11.73 C ATOM 703 C ASP A 94 0.271 3.244 -9.468 1.00 12.54 C ATOM 704 O ASP A 94 1.339 2.859 -9.516 1.00 16.42 O ATOM 705 CB ASP A 94 -1.010 1.197 -10.262 1.00 12.92 C ATOM 706 CG ASP A 94 -1.972 1.228 -9.080 1.00 22.91 C ATOM 707 OD1 ASP A 94 -3.187 1.146 -9.201 1.00 22.17 O ATOM 708 OD2 ASP A 94 -1.457 1.316 -7.935 1.00 19.01 O ATOM 709 N PRO A 95 -0.249 3.901 -8.527 1.00 16.46 N ATOM 710 CA PRO A 95 0.567 4.636 -7.596 1.00 14.67 C ATOM 711 C PRO A 95 1.260 3.622 -6.816 1.00 17.74 C ATOM 712 O PRO A 95 2.400 4.046 -6.219 1.00 22.38 O ATOM 713 CB PRO A 95 -0.368 5.238 -6.654 1.00 22.16 C ATOM 714 CG PRO A 95 -1.377 5.777 -7.565 1.00 21.38 C ATOM 715 CD PRO A 95 -1.576 4.623 -8.536 1.00 20.78 C ATOM 716 N VAL A 96 0.927 2.374 -6.618 1.00 13.01 N ATOM 717 CA VAL A 96 1.730 1.539 -5.762 1.00 11.93 C ATOM 718 C VAL A 96 3.098 1.350 -6.142 1.00 21.27 C ATOM 719 O VAL A 96 4.069 1.031 -5.537 1.00 16.07 O ATOM 720 CB VAL A 96 0.857 0.099 -5.620 1.00 29.83 C ATOM 721 CG1 VAL A 96 0.923 -0.687 -6.401 1.00 48.43 C ATOM 722 CG2 VAL A 96 1.322 -0.240 -4.779 1.00 70.91 C ATOM 723 N ASN A 97 3.269 1.470 -7.559 1.00 15.63 N ATOM 724 CA ASN A 97 4.615 1.047 -8.098 1.00 10.10 C ATOM 725 C ASN A 97 5.675 2.262 -7.895 1.00 4.91 C ATOM 726 O ASN A 97 6.828 1.839 -7.860 1.00 9.67 O ATOM 727 CB ASN A 97 4.581 0.892 -9.670 1.00 13.43 C ATOM 728 CG ASN A 97 3.716 -0.282 -9.938 1.00 17.91 C ATOM 729 OD1 ASN A 97 4.086 -1.378 -9.937 1.00 10.92 O ATOM 730 ND2 ASN A 97 2.339 0.119 -10.294 1.00 21.96 N ATOM 731 N PHE A 98 5.251 3.390 -7.458 1.00 9.20 N ATOM 732 CA PHE A 98 6.132 4.482 -7.110 1.00 12.10 C ATOM 733 C PHE A 98 6.958 4.075 -5.773 1.00 12.02 C ATOM 734 O PHE A 98 8.240 4.323 -5.676 1.00 11.50 O ATOM 735 CB PHE A 98 5.590 5.923 -6.936 1.00 16.66 C ATOM 736 CG PHE A 98 5.051 6.336 -8.208 1.00 14.23 C ATOM 737 CD1 PHE A 98 5.894 7.220 -8.806 1.00 16.70 C ATOM 738 CD2 PHE A 98 3.842 5.962 -8.759 1.00 12.76 C ATOM 739 CE1 PHE A 98 5.529 7.688 -9.904 1.00 23.57 C ATOM 740 CE2 PHE A 98 3.513 6.440 -10.107 1.00 15.74 C ATOM 741 CZ PHE A 98 4.374 7.231 -10.516 1.00 17.50 C ATOM 742 N LYS A 99 6.362 3.356 -4.846 1.00 13.69 N ATOM 743 CA LYS A 99 7.109 2.770 -3.687 1.00 13.57 C ATOM 744 C LYS A 99 7.912 1.744 -3.941 1.00 14.35 C ATOM 745 O LYS A 99 9.044 1.864 -3.350 1.00 13.29 O ATOM 746 CB LYS A 99 5.909 2.378 -2.665 1.00 22.01 C ATOM 747 CG LYS A 99 5.016 2.967 -2.454 1.00 54.35 C ATOM 748 CD LYS A 99 4.488 3.000 -1.609 1.00 72.56 C ATOM 749 CE LYS A 99 2.959 1.795 -1.600 1.00 73.99 C ATOM 750 NZ LYS A 99 1.741 2.896 -0.134 1.00 80.12 N ATOM 751 N LEU A 100 7.785 1.013 -5.037 1.00 9.89 N ATOM 752 CA LEU A 100 8.665 -0.028 -5.354 1.00 8.80 C ATOM 753 C LEU A 100 9.884 0.546 -6.019 1.00 9.28 C ATOM 754 O LEU A 100 11.014 0.165 -5.616 1.00 12.09 O ATOM 755 CB LEU A 100 8.009 -1.084 -6.185 1.00 11.00 C ATOM 756 CG LEU A 100 6.724 -1.520 -5.691 1.00 16.83 C ATOM 757 CD1 LEU A 100 6.069 -2.688 -6.703 1.00 20.94 C ATOM 758 CD2 LEU A 100 7.065 -2.491 -4.548 1.00 18.49 C ATOM 759 N LEU A 101 9.812 1.484 -6.927 1.00 8.39 N ATOM 760 CA LEU A 101 10.986 2.076 -7.511 1.00 10.30 C ATOM 761 C LEU A 101 11.701 2.979 -6.551 1.00 14.49 C ATOM 762 O LEU A 101 12.986 2.948 -6.333 1.00 16.14 O ATOM 763 CB LEU A 101 10.485 2.971 -8.570 1.00 11.44 C ATOM 764 CG LEU A 101 11.708 3.704 -9.282 1.00 15.06 C ATOM 765 CD1 LEU A 101 12.805 2.937 -9.771 1.00 17.72 C ATOM 766 CD2 LEU A 101 11.060 4.651 -10.427 1.00 19.38 C ATOM 767 N SER A 102 11.019 3.662 -5.475 1.00 15.17 N ATOM 768 CA SER A 102 11.653 4.426 -4.454 1.00 9.19 C ATOM 769 C SER A 102 12.577 3.423 -3.620 1.00 9.91 C ATOM 770 O SER A 102 13.768 3.831 -3.267 1.00 14.07 O ATOM 771 CB SER A 102 10.597 5.003 -3.570 1.00 12.36 C ATOM 772 OG SER A 102 9.919 6.079 -4.248 1.00 16.52 O ATOM 773 N HIS A 103 12.034 2.275 -3.168 1.00 12.27 N ATOM 774 CA HIS A 103 12.685 1.217 -2.471 1.00 10.16 C ATOM 775 C HIS A 103 14.063 1.009 -3.068 1.00 13.13 C ATOM 776 O HIS A 103 15.226 0.862 -2.602 1.00 13.37 O ATOM 777 CB HIS A 103 11.949 0.073 -2.013 1.00 12.31 C ATOM 778 CG HIS A 103 12.674 -1.002 -1.380 1.00 10.33 C ATOM 779 ND1 HIS A 103 12.899 -2.229 -2.007 1.00 10.01 N ATOM 780 CD2 HIS A 103 13.318 -0.937 -0.179 1.00 9.56 C ATOM 781 CE1 HIS A 103 13.687 -2.798 -1.043 1.00 12.63 C ATOM 782 NE2 HIS A 103 14.053 -2.093 0.083 1.00 10.77 N ATOM 783 N CYS A 104 13.914 0.657 -4.439 1.00 11.06 N ATOM 784 CA CYS A 104 15.233 0.205 -5.307 1.00 11.72 C ATOM 785 C CYS A 104 16.049 1.418 -5.518 1.00 9.58 C ATOM 786 O CYS A 104 17.228 1.081 -5.567 1.00 14.10 O ATOM 787 CB CYS A 104 14.671 -0.439 -6.552 1.00 16.81 C ATOM 788 SG CYS A 104 13.797 -1.958 -6.414 1.00 14.76 S ATOM 789 N LEU A 105 15.618 2.594 -5.516 1.00 7.99 N ATOM 790 CA LEU A 105 16.723 3.634 -5.593 1.00 10.43 C ATOM 791 C LEU A 105 17.448 3.890 -4.202 1.00 11.96 C ATOM 792 O LEU A 105 18.594 3.985 -4.326 1.00 15.19 O ATOM 793 CB LEU A 105 15.765 4.895 -6.092 1.00 16.93 C ATOM 794 CG LEU A 105 15.765 5.438 -7.260 1.00 44.57 C ATOM 795 CD1 LEU A 105 14.641 6.498 -7.442 1.00 40.98 C ATOM 796 CD2 LEU A 105 16.687 5.564 -8.008 1.00 33.21 C ATOM 797 N LEU A 106 16.617 3.676 -3.143 1.00 10.40 N ATOM 798 CA LEU A 106 17.322 3.635 -1.869 1.00 15.02 C ATOM 799 C LEU A 106 18.190 2.641 -1.668 1.00 13.79 C ATOM 800 O LEU A 106 19.481 2.857 -1.263 1.00 13.12 O ATOM 801 CB LEU A 106 16.241 3.634 -0.757 1.00 16.59 C ATOM 802 CG LEU A 106 15.821 4.348 0.036 1.00 26.87 C ATOM 803 CD1 LEU A 106 14.832 4.036 0.973 1.00 28.01 C ATOM 804 CD2 LEU A 106 16.399 5.824 0.153 1.00 18.73 C ATOM 805 N VAL A 107 18.054 1.391 -2.126 1.00 9.58 N ATOM 806 CA VAL A 107 18.953 0.372 -2.172 1.00 10.69 C ATOM 807 C VAL A 107 20.116 0.640 -3.008 1.00 12.39 C ATOM 808 O VAL A 107 21.316 0.322 -2.651 1.00 13.09 O ATOM 809 CB VAL A 107 18.301 -0.968 -2.671 1.00 14.48 C ATOM 810 CG1 VAL A 107 19.286 -1.955 -2.913 1.00 19.64 C ATOM 811 CG2 VAL A 107 17.236 -1.532 -1.566 1.00 13.81 C ATOM 812 N THR A 108 19.963 1.288 -4.127 1.00 12.66 N ATOM 813 CA THR A 108 21.110 1.595 -5.027 1.00 11.04 C ATOM 814 C THR A 108 21.986 2.516 -4.350 1.00 11.25 C ATOM 815 O THR A 108 23.209 2.402 -4.407 1.00 13.68 O ATOM 816 CB THR A 108 20.373 2.089 -6.467 1.00 8.55 C ATOM 817 OG1 THR A 108 19.740 1.009 -7.110 1.00 9.51 O ATOM 818 CG2 THR A 108 21.547 2.322 -7.342 1.00 15.85 C ATOM 819 N LEU A 109 21.371 3.638 -3.771 1.00 11.20 N ATOM 820 CA LEU A 109 22.189 4.682 -3.080 1.00 12.61 C ATOM 821 C LEU A 109 23.015 3.976 -1.882 1.00 16.09 C ATOM 822 O LEU A 109 24.210 4.291 -1.739 1.00 14.60 O ATOM 823 CB LEU A 109 21.280 5.707 -2.657 1.00 17.08 C ATOM 824 CG LEU A 109 20.748 6.795 -3.713 1.00 24.50 C ATOM 825 CD1 LEU A 109 19.679 7.424 -3.306 1.00 22.52 C ATOM 826 CD2 LEU A 109 21.379 6.943 -4.782 1.00 32.08 C ATOM 827 N ALA A 110 22.243 3.090 -1.228 1.00 13.55 N ATOM 828 CA ALA A 110 22.985 2.551 -0.107 1.00 19.86 C ATOM 829 C ALA A 110 24.128 1.797 -0.396 1.00 18.59 C ATOM 830 O ALA A 110 25.285 1.654 0.094 1.00 14.76 O ATOM 831 CB ALA A 110 21.957 1.572 0.573 1.00 17.34 C ATOM 832 N ALA A 111 24.211 0.998 -1.558 1.00 15.15 N ATOM 833 CA ALA A 111 25.062 0.161 -2.216 1.00 13.42 C ATOM 834 C ALA A 111 26.376 1.017 -2.643 1.00 16.84 C ATOM 835 O ALA A 111 27.331 0.420 -2.883 1.00 21.50 O ATOM 836 CB ALA A 111 24.726 -0.813 -3.252 1.00 16.85 C ATOM 837 N HIS A 112 26.089 2.220 -3.063 1.00 17.71 N ATOM 838 CA HIS A 112 27.174 3.032 -3.686 1.00 25.83 C ATOM 839 C HIS A 112 27.556 4.174 -2.656 1.00 21.86 C ATOM 840 O HIS A 112 28.710 4.609 -3.162 1.00 23.07 O ATOM 841 CB HIS A 112 26.642 3.736 -5.093 1.00 17.12 C ATOM 842 CG HIS A 112 26.500 2.730 -6.083 1.00 18.91 C ATOM 843 ND1 HIS A 112 27.696 2.669 -6.792 1.00 20.25 N ATOM 844 CD2 HIS A 112 25.457 2.082 -6.643 1.00 13.97 C ATOM 845 CE1 HIS A 112 27.065 1.572 -7.791 1.00 16.16 C ATOM 846 NE2 HIS A 112 25.728 1.142 -7.624 1.00 16.17 N ATOM 847 N LEU A 113 26.962 4.473 -1.633 1.00 16.18 N ATOM 848 CA LEU A 113 27.430 5.708 -0.856 1.00 18.52 C ATOM 849 C LEU A 113 27.676 5.161 0.490 1.00 15.09 C ATOM 850 O LEU A 113 26.991 5.652 1.418 1.00 22.00 O ATOM 851 CB LEU A 113 26.385 6.569 -0.567 1.00 26.60 C ATOM 852 CG LEU A 113 25.991 7.546 -1.915 1.00 26.91 C ATOM 853 CD1 LEU A 113 25.025 8.844 -1.799 1.00 38.78 C ATOM 854 CD2 LEU A 113 27.117 7.882 -2.870 1.00 35.29 C ATOM 855 N PRO A 114 28.523 4.242 0.795 1.00 18.92 N ATOM 856 CA PRO A 114 28.714 3.528 2.218 1.00 24.61 C ATOM 857 C PRO A 114 29.102 4.799 3.218 1.00 23.92 C ATOM 858 O PRO A 114 28.415 4.826 4.106 1.00 21.99 O ATOM 859 CB PRO A 114 30.033 2.940 1.849 1.00 23.94 C ATOM 860 CG PRO A 114 30.698 3.344 0.612 1.00 18.92 C ATOM 861 CD PRO A 114 29.469 3.904 -0.168 1.00 16.59 C ATOM 862 N ALA A 115 29.794 5.877 2.767 1.00 18.42 N ATOM 863 CA ALA A 115 30.159 6.863 3.921 1.00 21.98 C ATOM 864 C ALA A 115 28.895 7.716 4.285 1.00 22.41 C ATOM 865 O ALA A 115 28.703 8.192 5.284 1.00 22.94 O ATOM 866 CB ALA A 115 31.247 7.657 3.369 1.00 30.20 C ATOM 867 N GLU A 116 28.136 8.035 3.290 1.00 15.58 N ATOM 868 CA GLU A 116 27.073 9.160 3.429 1.00 17.43 C ATOM 869 C GLU A 116 25.648 8.548 3.788 1.00 15.97 C ATOM 870 O GLU A 116 24.768 9.367 4.171 1.00 23.49 O ATOM 871 CB GLU A 116 26.875 9.750 1.910 1.00 21.21 C ATOM 872 CG GLU A 116 27.948 10.674 1.482 1.00 24.18 C ATOM 873 CD GLU A 116 28.950 9.665 0.967 1.00 26.12 C ATOM 874 OE1 GLU A 116 28.992 8.438 0.543 1.00 28.16 O ATOM 875 OE2 GLU A 116 30.132 10.301 0.462 1.00 33.82 O ATOM 876 N PHE A 117 25.414 7.310 3.661 1.00 16.62 N ATOM 877 CA PHE A 117 24.245 6.614 3.985 1.00 14.17 C ATOM 878 C PHE A 117 23.918 6.335 5.559 1.00 17.74 C ATOM 879 O PHE A 117 23.649 5.222 5.819 1.00 19.92 O ATOM 880 CB PHE A 117 23.936 5.421 3.086 1.00 12.47 C ATOM 881 CG PHE A 117 22.448 4.906 2.825 1.00 9.61 C ATOM 882 CD1 PHE A 117 21.681 5.713 2.037 1.00 15.09 C ATOM 883 CD2 PHE A 117 22.071 3.807 3.568 1.00 15.73 C ATOM 884 CE1 PHE A 117 20.396 5.197 1.858 1.00 17.90 C ATOM 885 CE2 PHE A 117 20.593 3.448 3.517 1.00 23.05 C ATOM 886 CZ PHE A 117 19.914 4.171 2.606 1.00 14.00 C ATOM 887 N THR A 118 23.856 7.434 6.252 1.00 11.56 N ATOM 888 CA THR A 118 23.660 7.280 7.655 1.00 10.93 C ATOM 889 C THR A 118 22.259 6.982 7.820 1.00 15.34 C ATOM 890 O THR A 118 21.447 7.435 7.051 1.00 14.33 O ATOM 891 CB THR A 118 23.982 8.621 8.138 1.00 22.78 C ATOM 892 OG1 THR A 118 23.375 9.780 7.827 1.00 25.00 O ATOM 893 CG2 THR A 118 25.586 8.842 8.226 1.00 25.00 C ATOM 894 N PRO A 119 21.833 6.884 9.086 1.00 16.93 N ATOM 895 CA PRO A 119 20.398 6.708 9.436 1.00 7.97 C ATOM 896 C PRO A 119 19.633 7.821 9.121 1.00 9.71 C ATOM 897 O PRO A 119 18.484 7.899 8.632 1.00 13.14 O ATOM 898 CB PRO A 119 20.352 6.336 10.909 1.00 15.02 C ATOM 899 CG PRO A 119 21.556 5.500 11.105 1.00 20.08 C ATOM 900 CD PRO A 119 22.686 6.188 10.125 1.00 23.85 C ATOM 901 N ALA A 120 20.184 9.026 9.484 1.00 18.30 N ATOM 902 CA ALA A 120 19.624 10.215 9.304 1.00 20.48 C ATOM 903 C ALA A 120 19.441 10.650 7.769 1.00 11.11 C ATOM 904 O ALA A 120 18.342 11.025 7.255 1.00 14.90 O ATOM 905 CB ALA A 120 20.042 11.527 10.014 1.00 21.25 C ATOM 906 N VAL A 121 20.278 10.312 7.027 1.00 15.02 N ATOM 907 CA VAL A 121 20.243 10.488 5.614 1.00 11.64 C ATOM 908 C VAL A 121 19.214 9.526 4.899 1.00 13.80 C ATOM 909 O VAL A 121 18.469 9.919 4.066 1.00 15.60 O ATOM 910 CB VAL A 121 21.606 10.473 4.939 1.00 16.28 C ATOM 911 CG1 VAL A 121 21.595 10.524 3.309 1.00 17.80 C ATOM 912 CG2 VAL A 121 22.496 11.659 5.330 1.00 19.30 C ATOM 913 N HIS A 122 19.312 8.350 5.306 1.00 15.45 N ATOM 914 CA HIS A 122 18.254 7.136 4.913 1.00 11.57 C ATOM 915 C HIS A 122 16.950 7.952 5.022 1.00 13.88 C ATOM 916 O HIS A 122 16.085 7.716 4.230 1.00 13.87 O ATOM 917 CB HIS A 122 18.754 5.950 5.667 1.00 12.36 C ATOM 918 CG HIS A 122 17.848 4.887 5.471 1.00 15.49 C ATOM 919 ND1 HIS A 122 18.318 3.588 6.013 1.00 14.41 N ATOM 920 CD2 HIS A 122 16.770 4.643 4.716 1.00 16.00 C ATOM 921 CE1 HIS A 122 17.238 2.617 5.530 1.00 20.76 C ATOM 922 NE2 HIS A 122 16.304 3.230 4.756 1.00 17.17 N ATOM 923 N ALA A 123 16.659 8.268 6.248 1.00 12.31 N ATOM 924 CA ALA A 123 15.409 8.791 6.637 1.00 12.34 C ATOM 925 C ALA A 123 14.961 9.969 5.694 1.00 12.36 C ATOM 926 O ALA A 123 13.756 10.012 5.125 1.00 16.22 O ATOM 927 CB ALA A 123 15.295 9.229 8.074 1.00 18.20 C ATOM 928 N SER A 124 15.970 10.909 5.411 1.00 11.72 N ATOM 929 CA SER A 124 15.641 12.024 4.678 1.00 15.71 C ATOM 930 C SER A 124 15.409 11.594 3.146 1.00 11.97 C ATOM 931 O SER A 124 14.491 12.176 2.530 1.00 13.78 O ATOM 932 CB SER A 124 16.719 13.075 4.649 1.00 17.31 C ATOM 933 OG SER A 124 16.856 13.618 5.975 1.00 19.36 O ATOM 934 N LEU A 125 16.244 10.663 2.745 1.00 11.45 N ATOM 935 CA LEU A 125 16.012 10.336 1.348 1.00 9.77 C ATOM 936 C LEU A 125 14.814 9.607 1.165 1.00 13.87 C ATOM 937 O LEU A 125 14.134 9.697 0.072 1.00 12.03 O ATOM 938 CB LEU A 125 17.131 9.446 0.945 1.00 14.61 C ATOM 939 CG LEU A 125 18.555 9.965 0.565 1.00 15.39 C ATOM 940 CD1 LEU A 125 19.590 8.976 0.528 1.00 26.84 C ATOM 941 CD2 LEU A 125 18.455 10.851 -0.577 1.00 19.46 C ATOM 942 N ASP A 126 14.277 8.735 2.034 1.00 13.89 N ATOM 943 CA ASP A 126 13.042 7.997 2.040 1.00 14.28 C ATOM 944 C ASP A 126 11.977 8.930 1.898 1.00 13.60 C ATOM 945 O ASP A 126 10.911 8.959 1.188 1.00 12.25 O ATOM 946 CB ASP A 126 12.901 7.025 3.127 1.00 9.77 C ATOM 947 CG ASP A 126 11.751 5.958 3.086 1.00 17.51 C ATOM 948 OD1 ASP A 126 11.597 5.517 1.933 1.00 22.67 O ATOM 949 OD2 ASP A 126 10.812 6.013 3.738 1.00 20.83 O ATOM 950 N LYS A 127 11.945 10.077 2.732 1.00 11.87 N ATOM 951 CA LYS A 127 11.051 11.143 2.756 1.00 11.94 C ATOM 952 C LYS A 127 11.080 11.794 1.382 1.00 16.34 C ATOM 953 O LYS A 127 9.925 12.173 0.922 1.00 15.26 O ATOM 954 CB LYS A 127 11.131 11.830 4.210 1.00 27.23 C ATOM 955 CG LYS A 127 10.719 12.405 4.298 1.00 41.38 C ATOM 956 CD LYS A 127 10.893 12.716 6.240 1.00 22.35 C ATOM 957 CE LYS A 127 10.245 13.990 6.093 1.00 24.85 C ATOM 958 NZ LYS A 127 10.431 14.893 7.319 1.00 27.43 N ATOM 959 N PHE A 128 12.109 12.155 0.978 1.00 9.60 N ATOM 960 CA PHE A 128 12.219 12.896 -0.315 1.00 9.45 C ATOM 961 C PHE A 128 11.648 12.055 -1.437 1.00 11.35 C ATOM 962 O PHE A 128 10.825 12.624 -2.222 1.00 13.72 O ATOM 963 CB PHE A 128 13.691 13.118 -0.597 1.00 10.04 C ATOM 964 CG PHE A 128 13.845 13.645 -2.016 1.00 12.71 C ATOM 965 CD1 PHE A 128 13.433 15.022 -2.350 1.00 22.47 C ATOM 966 CD2 PHE A 128 14.442 12.953 -2.821 1.00 15.10 C ATOM 967 CE1 PHE A 128 13.646 15.369 -3.684 1.00 21.90 C ATOM 968 CE2 PHE A 128 15.006 13.229 -4.197 1.00 24.41 C ATOM 969 CZ PHE A 128 14.491 14.511 -4.397 1.00 19.00 C ATOM 970 N LEU A 129 11.863 10.701 -1.438 1.00 10.92 N ATOM 971 CA LEU A 129 11.247 9.983 -2.588 1.00 8.59 C ATOM 972 C LEU A 129 9.888 9.762 -2.445 1.00 15.58 C ATOM 973 O LEU A 129 9.123 9.780 -3.420 1.00 12.33 O ATOM 974 CB LEU A 129 11.971 8.639 -2.709 1.00 11.08 C ATOM 975 CG LEU A 129 13.553 8.574 -3.067 1.00 16.43 C ATOM 976 CD1 LEU A 129 14.162 7.385 -2.920 1.00 21.21 C ATOM 977 CD2 LEU A 129 13.509 9.197 -4.648 1.00 24.11 C ATOM 978 N ALA A 130 9.315 9.777 -1.285 1.00 13.59 N ATOM 979 CA ALA A 130 7.861 9.751 -0.992 1.00 12.80 C ATOM 980 C ALA A 130 7.198 11.000 -1.487 1.00 13.10 C ATOM 981 O ALA A 130 6.124 11.123 -2.087 1.00 16.72 O ATOM 982 CB ALA A 130 7.566 9.549 0.507 1.00 11.70 C ATOM 983 N SER A 131 7.929 12.205 -1.316 1.00 12.15 N ATOM 984 CA SER A 131 7.318 13.421 -1.788 1.00 17.97 C ATOM 985 C SER A 131 7.403 13.484 -3.383 1.00 14.23 C ATOM 986 O SER A 131 6.313 14.078 -3.819 1.00 17.89 O ATOM 987 CB SER A 131 8.230 14.652 -1.217 1.00 19.09 C ATOM 988 OG SER A 131 7.985 14.599 -0.027 1.00 34.89 O ATOM 989 N VAL A 132 8.509 13.092 -3.817 1.00 11.02 N ATOM 990 CA VAL A 132 8.474 13.187 -5.332 1.00 13.44 C ATOM 991 C VAL A 132 7.379 12.239 -5.739 1.00 13.26 C ATOM 992 O VAL A 132 6.574 12.766 -6.727 1.00 14.28 O ATOM 993 CB VAL A 132 9.676 12.669 -5.775 1.00 17.47 C ATOM 994 CG1 VAL A 132 9.886 12.366 -7.268 1.00 23.96 C ATOM 995 CG2 VAL A 132 10.893 13.605 -5.556 1.00 15.24 C ATOM 996 N SER A 133 7.084 11.034 -5.279 1.00 11.44 N ATOM 997 CA SER A 133 6.003 10.145 -5.616 1.00 14.28 C ATOM 998 C SER A 133 4.653 10.824 -5.346 1.00 22.70 C ATOM 999 O SER A 133 3.857 10.661 -6.312 1.00 18.73 O ATOM 1000 CB SER A 133 6.206 8.913 -4.797 1.00 14.07 C ATOM 1001 OG SER A 133 7.326 8.157 -5.136 1.00 16.41 O ATOM 1002 N THR A 134 4.415 11.603 -4.390 1.00 14.75 N ATOM 1003 CA THR A 134 3.185 12.188 -4.293 1.00 11.93 C ATOM 1004 C THR A 134 3.018 13.180 -5.135 1.00 12.33 C ATOM 1005 O THR A 134 1.906 13.411 -5.657 1.00 15.87 O ATOM 1006 CB THR A 134 3.337 12.691 -2.840 1.00 23.98 C ATOM 1007 OG1 THR A 134 3.226 11.963 -1.926 1.00 24.65 O ATOM 1008 CG2 THR A 134 2.127 13.740 -2.527 1.00 35.48 C ATOM 1009 N VAL A 135 3.914 14.063 -5.633 1.00 16.85 N ATOM 1010 CA VAL A 135 3.773 15.122 -6.561 1.00 15.02 C ATOM 1011 C VAL A 135 3.692 14.401 -7.901 1.00 18.49 C ATOM 1012 O VAL A 135 2.676 14.854 -8.623 1.00 17.84 O ATOM 1013 CB VAL A 135 5.097 16.044 -6.643 1.00 21.41 C ATOM 1014 CG1 VAL A 135 5.125 16.829 -7.908 1.00 28.88 C ATOM 1015 CG2 VAL A 135 5.265 16.767 -5.381 1.00 18.54 C ATOM 1016 N LEU A 136 4.254 13.322 -8.291 1.00 15.13 N ATOM 1017 CA LEU A 136 3.951 12.616 -9.538 1.00 14.14 C ATOM 1018 C LEU A 136 2.480 12.083 -9.717 1.00 16.82 C ATOM 1019 O LEU A 136 2.071 11.725 -10.914 1.00 16.56 O ATOM 1020 CB LEU A 136 5.082 11.671 -9.878 1.00 19.05 C ATOM 1021 CG LEU A 136 6.468 12.174 -10.486 1.00 19.99 C ATOM 1022 CD1 LEU A 136 7.357 11.046 -10.401 1.00 23.33 C ATOM 1023 CD2 LEU A 136 6.502 13.371 -11.272 1.00 20.84 C ATOM 1024 N THR A 137 1.951 11.790 -8.618 1.00 14.14 N ATOM 1025 CA THR A 137 0.509 10.996 -8.584 1.00 17.11 C ATOM 1026 C THR A 137 -0.385 12.070 -8.267 1.00 15.43 C ATOM 1027 O THR A 137 -1.637 11.700 -8.230 1.00 15.99 O ATOM 1028 CB THR A 137 0.560 9.964 -6.978 1.00 17.27 C ATOM 1029 OG1 THR A 137 1.278 8.939 -8.074 1.00 28.37 O ATOM 1030 CG2 THR A 137 1.320 10.263 -6.388 1.00 47.04 C ATOM 1031 N SER A 138 -0.164 13.266 -8.168 1.00 16.91 N ATOM 1032 CA SER A 138 -0.947 14.363 -7.753 1.00 23.51 C ATOM 1033 C SER A 138 -2.266 14.743 -8.597 1.00 23.60 C ATOM 1034 O SER A 138 -3.250 14.937 -8.017 1.00 27.80 O ATOM 1035 CB SER A 138 0.046 16.222 -7.976 1.00 22.76 C ATOM 1036 OG SER A 138 -0.261 15.617 -6.862 1.00 45.85 O ATOM 1037 N LYS A 139 -2.026 14.453 -9.807 1.00 19.13 N ATOM 1038 CA LYS A 139 -3.058 14.995 -10.892 1.00 21.43 C ATOM 1039 C LYS A 139 -3.804 13.721 -11.284 1.00 18.35 C ATOM 1040 O LYS A 139 -4.384 13.814 -12.266 1.00 22.16 O ATOM 1041 CB LYS A 139 -2.474 15.794 -11.975 1.00 24.13 C ATOM 1042 CG LYS A 139 -1.839 16.973 -11.481 1.00 28.98 C ATOM 1043 CD LYS A 139 -0.886 17.619 -12.549 1.00 33.18 C ATOM 1044 CE LYS A 139 -0.495 18.885 -12.192 1.00 52.82 C ATOM 1045 NZ LYS A 139 0.788 19.253 -13.621 1.00 55.02 N ATOM 1046 N TYR A 140 -3.715 12.530 -10.777 1.00 17.12 N ATOM 1047 CA TYR A 140 -4.275 11.374 -11.162 1.00 22.48 C ATOM 1048 C TYR A 140 -5.830 11.291 -11.160 1.00 18.75 C ATOM 1049 O TYR A 140 -6.423 10.704 -12.162 1.00 22.47 O ATOM 1050 CB TYR A 140 -3.896 10.028 -10.426 1.00 23.15 C ATOM 1051 CG TYR A 140 -2.655 9.444 -11.006 1.00 15.57 C ATOM 1052 CD1 TYR A 140 -2.495 7.940 -11.096 1.00 16.98 C ATOM 1053 CD2 TYR A 140 -1.471 10.093 -11.392 1.00 18.11 C ATOM 1054 CE1 TYR A 140 -1.296 7.400 -11.625 1.00 19.97 C ATOM 1055 CE2 TYR A 140 -0.267 9.379 -11.806 1.00 14.94 C ATOM 1056 CZ TYR A 140 -0.246 7.948 -11.911 1.00 17.89 C ATOM 1057 OH TYR A 140 0.808 7.493 -12.283 1.00 18.05 O ATOM 1058 N ARG A 141 -6.399 12.034 -10.391 1.00 17.59 N ATOM 1059 CA ARG A 141 -8.000 12.137 -10.191 1.00 24.58 C ATOM 1060 C ARG A 141 -8.327 13.610 -9.572 1.00 44.44 C ATOM 1061 O ARG A 141 -7.492 14.016 -8.882 1.00 21.81 O ATOM 1062 CB ARG A 141 -8.478 10.914 -9.869 1.00 33.40 C ATOM 1063 CG ARG A 141 -8.068 10.650 -8.145 1.00 17.28 C ATOM 1064 CD ARG A 141 -9.053 9.446 -7.867 1.00 14.66 C ATOM 1065 NE ARG A 141 -8.372 9.269 -6.610 1.00 22.73 N ATOM 1066 CZ ARG A 141 -9.233 8.420 -5.781 1.00 26.88 C ATOM 1067 NH1 ARG A 141 -10.147 7.455 -6.079 1.00 23.24 N ATOM 1068 NH2 ARG A 141 -8.672 8.328 -4.506 1.00 33.34 N ATOM 1069 OXT ARG A 141 -9.474 13.682 -9.742 1.00 31.52 O TER 1070 ARG A 141 ATOM 1071 N VAL B 1 9.223 -20.614 1.365 1.00 46.08 N ATOM 1072 CA VAL B 1 8.694 -20.026 -0.123 1.00 70.96 C ATOM 1073 C VAL B 1 9.668 -21.068 -1.645 1.00 69.74 C ATOM 1074 O VAL B 1 9.370 -22.612 -0.994 1.00 71.82 O ATOM 1075 CB VAL B 1 9.283 -18.281 -0.381 1.00 59.18 C ATOM 1076 CG1 VAL B 1 7.449 -17.518 -0.791 1.00 57.89 C ATOM 1077 CG2 VAL B 1 10.416 -18.038 0.066 1.00 44.20 C ATOM 1078 N HIS B 2 9.270 -20.650 -2.180 1.00 53.55 N ATOM 1079 CA HIS B 2 10.245 -21.378 -3.143 1.00 62.62 C ATOM 1080 C HIS B 2 11.419 -20.331 -4.099 1.00 51.71 C ATOM 1081 O HIS B 2 11.252 -19.250 -5.024 1.00 48.42 O ATOM 1082 CB HIS B 2 9.225 -20.955 -4.825 1.00 62.58 C ATOM 1083 CG HIS B 2 9.378 -21.082 -5.634 1.00 73.96 C ATOM 1084 ND1 HIS B 2 9.645 -19.683 -6.869 1.00 80.12 N ATOM 1085 CD2 HIS B 2 10.077 -22.950 -6.116 1.00 63.02 C ATOM 1086 CE1 HIS B 2 10.672 -21.165 -8.087 1.00 76.40 C ATOM 1087 NE2 HIS B 2 11.344 -22.584 -7.734 1.00 62.86 N ATOM 1088 N LEU B 3 12.365 -20.722 -3.649 1.00 43.89 N ATOM 1089 CA LEU B 3 13.611 -20.183 -4.477 1.00 43.79 C ATOM 1090 C LEU B 3 14.557 -21.356 -5.125 1.00 32.77 C ATOM 1091 O LEU B 3 14.340 -22.536 -4.780 1.00 41.84 O ATOM 1092 CB LEU B 3 14.522 -19.852 -2.996 1.00 28.80 C ATOM 1093 CG LEU B 3 13.980 -18.598 -2.183 1.00 28.70 C ATOM 1094 CD1 LEU B 3 14.846 -18.445 -1.199 1.00 63.39 C ATOM 1095 CD2 LEU B 3 14.509 -17.517 -3.001 1.00 32.10 C ATOM 1096 N THR B 4 14.840 -20.756 -6.280 1.00 42.35 N ATOM 1097 CA THR B 4 15.864 -21.825 -6.744 1.00 41.74 C ATOM 1098 C THR B 4 16.873 -22.187 -6.071 1.00 36.91 C ATOM 1099 O THR B 4 17.370 -21.395 -5.237 1.00 31.57 O ATOM 1100 CB THR B 4 15.949 -21.050 -8.090 1.00 38.91 C ATOM 1101 OG1 THR B 4 16.952 -20.015 -8.082 1.00 52.85 O ATOM 1102 CG2 THR B 4 14.967 -20.467 -9.056 1.00 56.94 C ATOM 1103 N PRO B 5 17.854 -23.111 -6.524 1.00 45.56 N ATOM 1104 CA PRO B 5 18.731 -23.731 -6.023 1.00 47.54 C ATOM 1105 C PRO B 5 19.935 -22.444 -5.760 1.00 37.80 C ATOM 1106 O PRO B 5 20.658 -22.372 -4.793 1.00 33.06 O ATOM 1107 CB PRO B 5 19.534 -24.900 -6.291 1.00 62.12 C ATOM 1108 CG PRO B 5 18.296 -25.318 -7.157 1.00 42.55 C ATOM 1109 CD PRO B 5 17.186 -24.560 -7.385 1.00 48.08 C ATOM 1110 N GLU B 6 19.819 -21.815 -6.978 1.00 27.00 N ATOM 1111 CA GLU B 6 20.898 -20.991 -7.230 1.00 34.37 C ATOM 1112 C GLU B 6 20.521 -19.635 -6.155 1.00 23.02 C ATOM 1113 O GLU B 6 21.687 -18.920 -5.617 1.00 28.54 O ATOM 1114 CB GLU B 6 20.842 -20.165 -8.661 1.00 37.20 C ATOM 1115 CG GLU B 6 20.141 -19.957 -9.396 1.00 66.65 C ATOM 1116 CD GLU B 6 19.153 -21.597 -10.181 1.00 60.44 C ATOM 1117 OE1 GLU B 6 20.183 -22.830 -9.731 1.00 63.16 O ATOM 1118 OE2 GLU B 6 18.299 -21.975 -10.007 1.00 70.62 O ATOM 1119 N GLU B 7 19.362 -19.413 -5.964 1.00 31.47 N ATOM 1120 CA GLU B 7 18.560 -18.284 -5.124 1.00 34.08 C ATOM 1121 C GLU B 7 19.160 -18.789 -3.682 1.00 21.49 C ATOM 1122 O GLU B 7 19.620 -17.847 -3.008 1.00 27.04 O ATOM 1123 CB GLU B 7 17.625 -18.097 -5.359 1.00 35.55 C ATOM 1124 CG GLU B 7 17.103 -17.196 -6.791 1.00 33.74 C ATOM 1125 CD GLU B 7 15.759 -16.911 -6.659 1.00 31.89 C ATOM 1126 OE1 GLU B 7 15.476 -15.756 -7.225 1.00 52.51 O ATOM 1127 OE2 GLU B 7 14.748 -17.803 -6.419 1.00 32.56 O ATOM 1128 N LYS B 8 18.747 -19.865 -3.237 1.00 26.08 N ATOM 1129 CA LYS B 8 19.026 -20.305 -2.016 1.00 32.23 C ATOM 1130 C LYS B 8 20.466 -20.216 -1.796 1.00 26.59 C ATOM 1131 O LYS B 8 21.162 -19.731 -0.601 1.00 26.11 O ATOM 1132 CB LYS B 8 18.395 -21.925 -1.875 1.00 36.34 C ATOM 1133 CG LYS B 8 18.802 -22.252 -1.182 1.00 64.20 C ATOM 1134 CD LYS B 8 18.769 -23.771 -0.248 1.00 73.64 C ATOM 1135 CE LYS B 8 19.461 -24.137 0.849 1.00 79.30 C ATOM 1136 NZ LYS B 8 19.874 -26.365 1.034 1.00 66.73 N ATOM 1137 N SER B 9 21.467 -20.675 -2.533 1.00 23.88 N ATOM 1138 CA SER B 9 22.559 -20.677 -2.426 1.00 36.76 C ATOM 1139 C SER B 9 23.490 -19.070 -2.230 1.00 37.61 C ATOM 1140 O SER B 9 24.284 -18.831 -1.430 1.00 28.84 O ATOM 1141 CB SER B 9 23.619 -21.853 -3.256 1.00 36.63 C ATOM 1142 OG SER B 9 23.958 -20.627 -4.033 1.00 64.02 O ATOM 1143 N ALA B 10 22.719 -18.196 -3.034 1.00 21.54 N ATOM 1144 CA ALA B 10 23.262 -17.029 -2.963 1.00 32.77 C ATOM 1145 C ALA B 10 22.792 -16.202 -1.459 1.00 23.64 C ATOM 1146 O ALA B 10 23.628 -15.408 -0.898 1.00 26.26 O ATOM 1147 CB ALA B 10 22.504 -16.176 -3.856 1.00 30.88 C ATOM 1148 N VAL B 11 21.589 -16.575 -0.940 1.00 22.75 N ATOM 1149 CA VAL B 11 21.174 -16.108 0.417 1.00 18.12 C ATOM 1150 C VAL B 11 22.242 -16.512 1.434 1.00 18.13 C ATOM 1151 O VAL B 11 22.655 -15.680 2.245 1.00 19.40 O ATOM 1152 CB VAL B 11 19.853 -16.542 0.518 1.00 19.48 C ATOM 1153 CG1 VAL B 11 19.403 -16.415 1.946 1.00 26.15 C ATOM 1154 CG2 VAL B 11 18.815 -15.702 -0.276 1.00 23.37 C ATOM 1155 N THR B 12 22.386 -17.775 1.358 1.00 19.01 N ATOM 1156 CA THR B 12 23.153 -18.592 2.377 1.00 25.04 C ATOM 1157 C THR B 12 24.569 -18.098 2.437 1.00 20.68 C ATOM 1158 O THR B 12 25.254 -17.692 3.335 1.00 23.87 O ATOM 1159 CB THR B 12 23.196 -20.284 2.185 1.00 42.63 C ATOM 1160 OG1 THR B 12 22.010 -20.433 2.444 1.00 42.78 O ATOM 1161 CG2 THR B 12 23.729 -20.348 1.974 1.00 67.38 C ATOM 1162 N ALA B 13 25.190 -17.913 1.267 1.00 22.79 N ATOM 1163 CA ALA B 13 26.401 -17.387 1.166 1.00 26.66 C ATOM 1164 C ALA B 13 26.828 -16.135 1.582 1.00 26.26 C ATOM 1165 O ALA B 13 27.614 -15.809 2.378 1.00 27.07 O ATOM 1166 CB ALA B 13 26.857 -17.378 -0.445 1.00 26.35 C ATOM 1167 N LEU B 14 25.928 -14.999 1.236 1.00 15.70 N ATOM 1168 CA LEU B 14 26.092 -13.737 1.994 1.00 15.10 C ATOM 1169 C LEU B 14 25.996 -13.791 3.419 1.00 17.25 C ATOM 1170 O LEU B 14 26.440 -13.013 4.127 1.00 15.43 O ATOM 1171 CB LEU B 14 25.023 -12.816 1.145 1.00 16.82 C ATOM 1172 CG LEU B 14 25.284 -11.388 1.257 1.00 27.27 C ATOM 1173 CD1 LEU B 14 26.470 -10.984 0.911 1.00 40.43 C ATOM 1174 CD2 LEU B 14 23.923 -10.655 1.151 1.00 24.81 C ATOM 1175 N TRP B 15 24.847 -14.542 3.847 1.00 17.75 N ATOM 1176 CA TRP B 15 24.543 -14.533 5.293 1.00 20.73 C ATOM 1177 C TRP B 15 25.779 -15.040 6.144 1.00 17.66 C ATOM 1178 O TRP B 15 25.791 -14.500 7.295 1.00 18.75 O ATOM 1179 CB TRP B 15 23.337 -15.255 5.477 1.00 17.11 C ATOM 1180 CG TRP B 15 22.785 -14.972 6.964 1.00 17.91 C ATOM 1181 CD1 TRP B 15 22.809 -15.647 8.020 1.00 21.87 C ATOM 1182 CD2 TRP B 15 21.992 -13.854 7.213 1.00 17.58 C ATOM 1183 NE1 TRP B 15 22.135 -15.153 9.079 1.00 18.04 N ATOM 1184 CE2 TRP B 15 21.659 -13.824 8.669 1.00 16.29 C ATOM 1185 CE3 TRP B 15 21.610 -12.684 6.475 1.00 16.29 C ATOM 1186 CZ2 TRP B 15 20.847 -12.810 9.252 1.00 25.87 C ATOM 1187 CZ3 TRP B 15 20.839 -11.689 7.176 1.00 17.96 C ATOM 1188 CH2 TRP B 15 20.450 -11.898 8.453 1.00 24.12 C ATOM 1189 N GLY B 16 26.491 -15.885 5.456 1.00 18.59 N ATOM 1190 CA GLY B 16 27.793 -16.367 6.203 1.00 18.72 C ATOM 1191 C GLY B 16 28.640 -15.293 6.479 1.00 24.14 C ATOM 1192 O GLY B 16 29.526 -15.462 7.418 1.00 24.08 O ATOM 1193 N LYS B 17 28.533 -14.214 5.902 1.00 16.20 N ATOM 1194 CA LYS B 17 29.341 -13.100 6.055 1.00 17.17 C ATOM 1195 C LYS B 17 28.732 -12.165 6.877 1.00 17.84 C ATOM 1196 O LYS B 17 29.459 -11.044 7.345 1.00 23.03 O ATOM 1197 CB LYS B 17 29.636 -12.212 4.866 1.00 27.63 C ATOM 1198 CG LYS B 17 30.260 -13.332 3.793 1.00 26.84 C ATOM 1199 CD LYS B 17 30.681 -12.758 2.663 1.00 36.92 C ATOM 1200 CE LYS B 17 31.201 -13.748 1.394 1.00 48.09 C ATOM 1201 NZ LYS B 17 31.749 -12.471 0.760 1.00 51.60 N ATOM 1202 N VAL B 18 27.632 -12.163 7.561 1.00 19.79 N ATOM 1203 CA VAL B 18 26.839 -11.228 8.296 1.00 15.59 C ATOM 1204 C VAL B 18 27.221 -11.355 9.806 1.00 24.20 C ATOM 1205 O VAL B 18 27.181 -12.396 10.461 1.00 22.49 O ATOM 1206 CB VAL B 18 25.375 -11.611 8.249 1.00 13.43 C ATOM 1207 CG1 VAL B 18 24.680 -10.797 9.203 1.00 20.38 C ATOM 1208 CG2 VAL B 18 25.124 -10.816 6.753 1.00 25.54 C ATOM 1209 N ASN B 19 27.508 -10.243 10.525 1.00 20.52 N ATOM 1210 CA ASN B 19 27.647 -10.334 12.056 1.00 15.58 C ATOM 1211 C ASN B 19 26.161 -10.008 12.553 1.00 13.56 C ATOM 1212 O ASN B 19 25.706 -8.798 12.411 1.00 14.77 O ATOM 1213 CB ASN B 19 28.532 -9.065 12.579 1.00 26.08 C ATOM 1214 CG ASN B 19 28.340 -8.916 14.065 1.00 29.11 C ATOM 1215 OD1 ASN B 19 27.732 -9.412 14.784 1.00 27.77 O ATOM 1216 ND2 ASN B 19 29.702 -8.401 14.383 1.00 33.88 N ATOM 1217 N VAL B 20 25.621 -11.024 13.009 1.00 18.83 N ATOM 1218 CA VAL B 20 24.087 -11.031 13.284 1.00 19.05 C ATOM 1219 C VAL B 20 23.851 -10.149 14.214 1.00 20.02 C ATOM 1220 O VAL B 20 22.901 -9.142 14.245 1.00 17.50 O ATOM 1221 CB VAL B 20 23.694 -12.517 13.598 1.00 25.16 C ATOM 1222 CG1 VAL B 20 22.215 -12.356 13.912 1.00 29.32 C ATOM 1223 CG2 VAL B 20 23.748 -13.338 12.333 1.00 21.26 C ATOM 1224 N ASP B 21 24.547 -9.725 15.239 1.00 19.64 N ATOM 1225 CA ASP B 21 24.274 -8.816 16.395 1.00 20.67 C ATOM 1226 C ASP B 21 24.562 -7.492 15.870 1.00 18.97 C ATOM 1227 O ASP B 21 23.606 -6.622 16.080 1.00 21.29 O ATOM 1228 CB ASP B 21 25.312 -9.108 17.415 1.00 34.10 C ATOM 1229 CG ASP B 21 25.029 -10.570 18.492 1.00 53.28 C ATOM 1230 OD1 ASP B 21 23.848 -10.805 18.323 1.00 40.86 O ATOM 1231 OD2 ASP B 21 25.861 -10.240 19.644 1.00 50.69 O ATOM 1232 N GLU B 22 25.464 -7.225 14.999 1.00 17.77 N ATOM 1233 CA GLU B 22 25.739 -5.702 14.538 1.00 21.32 C ATOM 1234 C GLU B 22 24.523 -5.287 13.546 1.00 17.53 C ATOM 1235 O GLU B 22 23.957 -4.290 13.703 1.00 21.51 O ATOM 1236 CB GLU B 22 27.018 -5.846 13.812 1.00 24.38 C ATOM 1237 CG GLU B 22 27.214 -4.730 13.144 1.00 38.60 C ATOM 1238 CD GLU B 22 28.169 -3.862 11.812 1.00 75.75 C ATOM 1239 OE1 GLU B 22 28.555 -5.400 11.034 1.00 53.89 O ATOM 1240 OE2 GLU B 22 29.808 -4.745 12.821 1.00 65.14 O ATOM 1241 N VAL B 23 24.347 -6.274 12.578 1.00 19.15 N ATOM 1242 CA VAL B 23 23.303 -6.039 11.518 1.00 16.52 C ATOM 1243 C VAL B 23 21.857 -5.985 12.342 1.00 19.25 C ATOM 1244 O VAL B 23 20.964 -5.128 11.822 1.00 16.10 O ATOM 1245 CB VAL B 23 23.294 -7.123 10.403 1.00 21.83 C ATOM 1246 CG1 VAL B 23 22.065 -7.019 9.672 1.00 26.98 C ATOM 1247 CG2 VAL B 23 24.689 -6.722 9.825 1.00 24.14 C ATOM 1248 N GLY B 24 21.684 -6.753 13.284 1.00 11.83 N ATOM 1249 CA GLY B 24 20.512 -6.666 14.003 1.00 15.96 C ATOM 1250 C GLY B 24 20.131 -5.391 14.689 1.00 15.32 C ATOM 1251 O GLY B 24 19.133 -4.694 14.628 1.00 13.59 O ATOM 1252 N GLY B 25 21.093 -4.853 15.395 1.00 19.52 N ATOM 1253 CA GLY B 25 21.202 -3.549 15.972 1.00 15.79 C ATOM 1254 C GLY B 25 20.921 -2.401 14.917 1.00 12.82 C ATOM 1255 O GLY B 25 20.200 -1.481 15.135 1.00 18.05 O ATOM 1256 N GLU B 26 21.598 -2.510 13.849 1.00 12.16 N ATOM 1257 CA GLU B 26 21.567 -1.493 12.736 1.00 11.32 C ATOM 1258 C GLU B 26 20.042 -1.534 12.176 1.00 13.79 C ATOM 1259 O GLU B 26 19.605 -0.362 11.944 1.00 14.59 O ATOM 1260 CB GLU B 26 22.564 -1.757 11.778 1.00 13.18 C ATOM 1261 CG GLU B 26 23.022 -0.301 10.974 1.00 29.90 C ATOM 1262 CD GLU B 26 23.535 0.894 10.508 1.00 51.34 C ATOM 1263 OE1 GLU B 26 23.767 -0.209 7.916 1.00 54.93 O ATOM 1264 OE2 GLU B 26 24.549 -1.302 10.298 1.00 37.93 O ATOM 1265 N ALA B 27 19.659 -2.698 11.904 1.00 13.14 N ATOM 1266 CA ALA B 27 18.339 -2.622 11.197 1.00 9.05 C ATOM 1267 C ALA B 27 17.188 -2.188 12.064 1.00 10.83 C ATOM 1268 O ALA B 27 16.247 -1.538 11.698 1.00 11.12 O ATOM 1269 CB ALA B 27 18.124 -4.039 10.850 1.00 14.07 C ATOM 1270 N LEU B 28 17.097 -2.654 13.364 1.00 11.19 N ATOM 1271 CA LEU B 28 16.289 -2.225 14.403 1.00 14.47 C ATOM 1272 C LEU B 28 16.216 -0.842 14.498 1.00 12.13 C ATOM 1273 O LEU B 28 15.292 -0.024 14.599 1.00 12.32 O ATOM 1274 CB LEU B 28 16.089 -3.101 15.599 1.00 9.21 C ATOM 1275 CG LEU B 28 14.602 -2.613 16.344 1.00 20.67 C ATOM 1276 CD1 LEU B 28 13.558 -3.287 15.723 1.00 17.60 C ATOM 1277 CD2 LEU B 28 15.036 -3.349 17.556 1.00 34.99 C ATOM 1278 N GLY B 29 17.488 -0.244 14.733 1.00 10.00 N ATOM 1279 CA GLY B 29 17.555 1.107 14.942 1.00 15.27 C ATOM 1280 C GLY B 29 17.147 1.979 13.686 1.00 10.88 C ATOM 1281 O GLY B 29 16.406 2.945 13.855 1.00 14.42 O ATOM 1282 N ARG B 30 17.503 1.503 12.514 1.00 11.39 N ATOM 1283 CA ARG B 30 17.138 2.392 11.410 1.00 14.49 C ATOM 1284 C ARG B 30 15.517 2.168 11.180 1.00 10.79 C ATOM 1285 O ARG B 30 14.997 3.218 10.749 1.00 13.81 O ATOM 1286 CB ARG B 30 17.883 1.854 10.134 1.00 19.88 C ATOM 1287 CG ARG B 30 19.264 2.550 9.848 1.00 16.11 C ATOM 1288 CD ARG B 30 19.816 1.919 8.615 1.00 14.71 C ATOM 1289 NE ARG B 30 21.229 2.190 8.567 1.00 21.05 N ATOM 1290 CZ ARG B 30 21.899 3.048 7.943 1.00 18.56 C ATOM 1291 NH1 ARG B 30 21.169 3.859 7.078 1.00 19.13 N ATOM 1292 NH2 ARG B 30 23.126 3.441 7.930 1.00 19.91 N ATOM 1293 N LEU B 31 14.954 1.034 11.546 1.00 12.04 N ATOM 1294 CA LEU B 31 13.557 0.954 11.581 1.00 10.54 C ATOM 1295 C LEU B 31 13.079 2.129 12.312 1.00 13.93 C ATOM 1296 O LEU B 31 12.053 2.837 11.993 1.00 14.67 O ATOM 1297 CB LEU B 31 12.999 -0.394 11.933 1.00 12.99 C ATOM 1298 CG LEU B 31 11.476 -0.524 12.150 1.00 10.97 C ATOM 1299 CD1 LEU B 31 11.036 -0.535 10.722 1.00 19.46 C ATOM 1300 CD2 LEU B 31 11.106 -1.700 13.040 1.00 13.98 C ATOM 1301 N LEU B 32 13.531 2.329 13.530 1.00 10.13 N ATOM 1302 CA LEU B 32 12.882 3.156 14.401 1.00 11.52 C ATOM 1303 C LEU B 32 13.149 4.616 14.057 1.00 12.11 C ATOM 1304 O LEU B 32 12.467 5.633 14.438 1.00 15.31 O ATOM 1305 CB LEU B 32 13.453 3.038 15.919 1.00 11.75 C ATOM 1306 CG LEU B 32 12.805 1.940 16.581 1.00 16.68 C ATOM 1307 CD1 LEU B 32 12.104 0.941 16.260 1.00 22.26 C ATOM 1308 CD2 LEU B 32 13.566 1.603 17.835 1.00 28.90 C ATOM 1309 N VAL B 33 14.250 4.899 13.351 1.00 10.32 N ATOM 1310 CA VAL B 33 14.628 6.174 12.868 1.00 11.98 C ATOM 1311 C VAL B 33 13.704 6.548 11.535 1.00 12.10 C ATOM 1312 O VAL B 33 13.345 7.771 11.481 1.00 13.28 O ATOM 1313 CB VAL B 33 16.139 6.304 12.522 1.00 14.87 C ATOM 1314 CG1 VAL B 33 16.518 7.591 11.880 1.00 11.54 C ATOM 1315 CG2 VAL B 33 16.745 6.275 13.788 1.00 16.57 C ATOM 1316 N VAL B 34 13.820 5.650 10.638 1.00 13.66 N ATOM 1317 CA VAL B 34 13.156 6.096 9.258 1.00 9.59 C ATOM 1318 C VAL B 34 11.591 6.042 9.368 1.00 8.72 C ATOM 1319 O VAL B 34 11.052 6.910 8.763 1.00 9.42 O ATOM 1320 CB VAL B 34 13.681 5.042 8.326 1.00 9.09 C ATOM 1321 CG1 VAL B 34 13.079 5.328 6.958 1.00 9.82 C ATOM 1322 CG2 VAL B 34 15.076 5.133 8.253 1.00 17.00 C ATOM 1323 N TYR B 35 11.088 5.155 10.260 1.00 10.80 N ATOM 1324 CA TYR B 35 9.613 5.019 10.405 1.00 13.73 C ATOM 1325 C TYR B 35 9.249 5.241 11.959 1.00 14.87 C ATOM 1326 O TYR B 35 9.056 4.156 12.514 1.00 16.30 O ATOM 1327 CB TYR B 35 9.162 3.628 9.962 1.00 14.97 C ATOM 1328 CG TYR B 35 9.590 3.397 8.554 1.00 16.57 C ATOM 1329 CD1 TYR B 35 9.059 4.138 7.400 1.00 17.11 C ATOM 1330 CD2 TYR B 35 10.495 2.446 8.096 1.00 21.02 C ATOM 1331 CE1 TYR B 35 9.473 3.862 6.085 1.00 16.53 C ATOM 1332 CE2 TYR B 35 10.987 2.455 6.905 1.00 21.07 C ATOM 1333 CZ TYR B 35 10.434 2.948 5.860 1.00 16.91 C ATOM 1334 OH TYR B 35 11.073 2.851 4.537 1.00 21.07 O ATOM 1335 N PRO B 36 9.337 6.384 12.381 1.00 18.32 N ATOM 1336 CA PRO B 36 9.299 6.665 13.797 1.00 15.72 C ATOM 1337 C PRO B 36 8.010 6.232 14.403 1.00 27.07 C ATOM 1338 O PRO B 36 8.028 5.977 15.694 1.00 15.67 O ATOM 1339 CB PRO B 36 9.448 8.143 14.056 1.00 16.26 C ATOM 1340 CG PRO B 36 9.504 8.813 12.839 1.00 21.27 C ATOM 1341 CD PRO B 36 9.498 7.681 11.841 1.00 25.93 C ATOM 1342 N TRP B 37 6.917 5.884 13.840 1.00 14.10 N ATOM 1343 CA TRP B 37 5.821 5.395 14.601 1.00 12.74 C ATOM 1344 C TRP B 37 5.965 3.976 15.036 1.00 15.06 C ATOM 1345 O TRP B 37 5.268 3.465 15.926 1.00 15.27 O ATOM 1346 CB TRP B 37 4.670 5.475 13.490 1.00 19.41 C ATOM 1347 CG TRP B 37 4.766 4.831 12.253 1.00 14.79 C ATOM 1348 CD1 TRP B 37 4.298 3.513 11.774 1.00 18.82 C ATOM 1349 CD2 TRP B 37 5.265 5.442 10.984 1.00 18.23 C ATOM 1350 NE1 TRP B 37 4.669 3.435 10.535 1.00 23.72 N ATOM 1351 CE2 TRP B 37 5.184 4.400 9.923 1.00 22.13 C ATOM 1352 CE3 TRP B 37 5.947 6.691 10.672 1.00 21.52 C ATOM 1353 CZ2 TRP B 37 5.584 4.556 8.589 1.00 18.19 C ATOM 1354 CZ3 TRP B 37 6.183 6.773 9.398 1.00 31.71 C ATOM 1355 CH2 TRP B 37 6.069 5.844 8.520 1.00 14.12 C ATOM 1356 N THR B 38 7.039 3.221 14.646 1.00 14.17 N ATOM 1357 CA THR B 38 7.466 1.912 14.979 1.00 13.46 C ATOM 1358 C THR B 38 7.760 1.960 16.519 1.00 16.65 C ATOM 1359 O THR B 38 8.073 0.918 17.118 1.00 18.86 O ATOM 1360 CB THR B 38 8.456 1.107 14.212 1.00 12.74 C ATOM 1361 OG1 THR B 38 9.507 1.962 14.105 1.00 14.09 O ATOM 1362 CG2 THR B 38 7.863 1.128 12.798 1.00 15.42 C ATOM 1363 N GLN B 39 8.203 3.108 16.922 1.00 19.91 N ATOM 1364 CA GLN B 39 8.656 3.567 18.379 1.00 23.22 C ATOM 1365 C GLN B 39 7.604 3.201 19.358 1.00 19.19 C ATOM 1366 O GLN B 39 7.968 2.987 20.495 1.00 19.29 O ATOM 1367 CB GLN B 39 9.277 4.878 18.529 1.00 24.35 C ATOM 1368 CG GLN B 39 10.405 5.137 17.759 1.00 25.27 C ATOM 1369 CD GLN B 39 10.983 6.633 17.918 1.00 24.35 C ATOM 1370 OE1 GLN B 39 10.480 7.189 18.922 1.00 26.75 O ATOM 1371 NE2 GLN B 39 11.852 7.006 16.956 1.00 30.18 N ATOM 1372 N ARG B 40 6.347 3.079 18.900 1.00 20.02 N ATOM 1373 CA ARG B 40 5.184 2.850 19.816 1.00 21.80 C ATOM 1374 C ARG B 40 5.511 1.455 20.630 1.00 29.36 C ATOM 1375 O ARG B 40 4.888 1.619 21.749 1.00 24.42 O ATOM 1376 CB ARG B 40 3.944 2.700 18.938 1.00 16.52 C ATOM 1377 CG ARG B 40 3.694 1.420 18.404 1.00 20.34 C ATOM 1378 CD ARG B 40 2.451 1.519 17.302 1.00 25.31 C ATOM 1379 NE ARG B 40 1.370 1.856 17.810 1.00 29.70 N ATOM 1380 CZ ARG B 40 0.400 1.022 18.648 1.00 34.46 C ATOM 1381 NH1 ARG B 40 0.678 -0.097 18.556 1.00 31.34 N ATOM 1382 NH2 ARG B 40 -0.783 2.010 18.877 1.00 39.12 N ATOM 1383 N PHE B 41 6.149 0.541 20.453 1.00 19.21 N ATOM 1384 CA PHE B 41 6.133 -0.730 21.151 1.00 16.53 C ATOM 1385 C PHE B 41 7.442 -0.621 22.343 1.00 21.34 C ATOM 1386 O PHE B 41 7.412 -1.538 22.897 1.00 23.45 O ATOM 1387 CB PHE B 41 6.675 -1.804 20.080 1.00 10.39 C ATOM 1388 CG PHE B 41 5.553 -1.984 19.152 1.00 13.84 C ATOM 1389 CD1 PHE B 41 5.763 -1.448 17.828 1.00 17.38 C ATOM 1390 CD2 PHE B 41 4.239 -2.655 19.578 1.00 25.55 C ATOM 1391 CE1 PHE B 41 4.713 -1.720 16.922 1.00 15.72 C ATOM 1392 CE2 PHE B 41 3.272 -2.680 18.459 1.00 21.40 C ATOM 1393 CZ PHE B 41 3.586 -2.146 17.207 1.00 13.46 C ATOM 1394 N PHE B 42 8.072 0.397 22.159 1.00 18.41 N ATOM 1395 CA PHE B 42 9.433 0.476 22.639 1.00 17.88 C ATOM 1396 C PHE B 42 9.683 1.552 23.631 1.00 26.28 C ATOM 1397 O PHE B 42 10.712 1.963 24.025 1.00 30.16 O ATOM 1398 CB PHE B 42 10.561 0.553 21.602 1.00 16.57 C ATOM 1399 CG PHE B 42 10.524 -0.621 20.906 1.00 18.87 C ATOM 1400 CD1 PHE B 42 10.208 -0.431 19.261 1.00 17.08 C ATOM 1401 CD2 PHE B 42 10.804 -1.937 21.065 1.00 17.75 C ATOM 1402 CE1 PHE B 42 10.137 -1.716 18.672 1.00 12.34 C ATOM 1403 CE2 PHE B 42 10.625 -2.998 20.314 1.00 16.32 C ATOM 1404 CZ PHE B 42 10.370 -2.870 18.826 1.00 14.29 C ATOM 1405 N GLU B 43 8.703 2.022 24.176 1.00 32.94 N ATOM 1406 CA GLU B 43 9.021 3.274 25.060 1.00 42.17 C ATOM 1407 C GLU B 43 9.315 2.924 26.617 1.00 21.09 C ATOM 1408 O GLU B 43 10.204 3.362 27.291 1.00 37.55 O ATOM 1409 CB GLU B 43 7.798 3.586 25.059 1.00 73.91 C ATOM 1410 CG GLU B 43 6.528 3.291 25.915 1.00 61.81 C ATOM 1411 CD GLU B 43 4.777 4.930 25.558 1.00 78.77 C ATOM 1412 OE1 GLU B 43 5.276 5.543 25.252 1.00 63.33 O ATOM 1413 OE2 GLU B 43 4.274 3.783 26.403 1.00 59.41 O ATOM 1414 N SER B 44 9.424 1.477 26.805 1.00 22.68 N ATOM 1415 CA SER B 44 10.261 0.951 28.039 1.00 28.45 C ATOM 1416 C SER B 44 11.527 1.680 27.935 1.00 36.10 C ATOM 1417 O SER B 44 12.578 0.776 28.511 1.00 25.24 O ATOM 1418 CB SER B 44 9.957 -0.409 28.119 1.00 27.61 C ATOM 1419 OG SER B 44 10.204 -1.503 27.766 1.00 37.26 O ATOM 1420 N PHE B 45 12.292 1.349 26.626 1.00 28.36 N ATOM 1421 CA PHE B 45 13.648 1.329 26.186 1.00 25.47 C ATOM 1422 C PHE B 45 14.197 2.590 26.508 1.00 26.28 C ATOM 1423 O PHE B 45 15.451 2.670 26.190 1.00 31.39 O ATOM 1424 CB PHE B 45 13.618 0.947 24.623 1.00 22.10 C ATOM 1425 CG PHE B 45 13.541 -0.652 24.249 1.00 18.85 C ATOM 1426 CD1 PHE B 45 13.939 -0.880 22.983 1.00 29.27 C ATOM 1427 CD2 PHE B 45 12.982 -1.450 24.626 1.00 31.57 C ATOM 1428 CE1 PHE B 45 13.682 -2.441 22.618 1.00 29.02 C ATOM 1429 CE2 PHE B 45 12.642 -2.810 24.625 1.00 30.34 C ATOM 1430 CZ PHE B 45 13.202 -2.999 23.312 1.00 36.33 C ATOM 1431 N GLY B 46 13.772 3.730 26.937 1.00 39.28 N ATOM 1432 CA GLY B 46 14.529 4.785 27.301 1.00 46.90 C ATOM 1433 C GLY B 46 14.720 5.977 26.137 1.00 45.06 C ATOM 1434 O GLY B 46 13.492 6.152 25.410 1.00 36.42 O ATOM 1435 N ASP B 47 15.717 6.365 26.037 1.00 38.00 N ATOM 1436 CA ASP B 47 15.729 7.801 25.184 1.00 38.15 C ATOM 1437 C ASP B 47 16.096 7.362 23.534 1.00 25.86 C ATOM 1438 O ASP B 47 16.860 6.380 23.281 1.00 25.46 O ATOM 1439 CB ASP B 47 17.237 8.136 25.516 1.00 44.07 C ATOM 1440 CG ASP B 47 17.345 9.494 25.209 1.00 52.06 C ATOM 1441 OD1 ASP B 47 18.506 10.069 24.917 1.00 44.54 O ATOM 1442 OD2 ASP B 47 16.192 10.248 24.076 1.00 35.33 O ATOM 1443 N LEU B 48 14.758 7.696 22.981 1.00 25.27 N ATOM 1444 CA LEU B 48 14.475 7.473 21.435 1.00 28.75 C ATOM 1445 C LEU B 48 14.468 8.903 20.740 1.00 27.19 C ATOM 1446 O LEU B 48 13.953 8.921 19.724 1.00 27.20 O ATOM 1447 CB LEU B 48 13.484 6.505 21.317 1.00 23.96 C ATOM 1448 CG LEU B 48 13.754 5.148 21.718 1.00 24.35 C ATOM 1449 CD1 LEU B 48 12.414 4.237 21.541 1.00 34.74 C ATOM 1450 CD2 LEU B 48 14.775 4.377 21.408 1.00 34.58 C ATOM 1451 N SER B 49 15.103 9.812 21.342 1.00 41.94 N ATOM 1452 CA SER B 49 14.421 11.168 20.634 1.00 46.28 C ATOM 1453 C SER B 49 15.582 11.613 20.219 1.00 38.86 C ATOM 1454 O SER B 49 14.817 12.605 18.942 1.00 41.94 O ATOM 1455 CB SER B 49 14.717 12.244 22.089 1.00 37.98 C ATOM 1456 OG SER B 49 16.403 12.088 22.302 1.00 37.71 O ATOM 1457 N THR B 50 16.507 11.264 19.343 1.00 28.29 N ATOM 1458 CA THR B 50 17.236 11.360 18.289 1.00 30.77 C ATOM 1459 C THR B 50 17.885 10.175 17.455 1.00 28.12 C ATOM 1460 O THR B 50 17.899 9.107 18.221 1.00 25.38 O ATOM 1461 CB THR B 50 18.076 12.160 18.824 1.00 33.39 C ATOM 1462 OG1 THR B 50 19.415 11.795 19.160 1.00 37.96 O ATOM 1463 CG2 THR B 50 18.083 13.812 19.397 1.00 29.64 C ATOM 1464 N PRO B 51 18.477 10.443 16.283 1.00 28.96 N ATOM 1465 CA PRO B 51 18.840 9.268 15.580 1.00 22.25 C ATOM 1466 C PRO B 51 20.003 8.659 16.259 1.00 19.80 C ATOM 1467 O PRO B 51 20.229 7.322 16.651 1.00 21.55 O ATOM 1468 CB PRO B 51 19.279 9.752 14.257 1.00 27.29 C ATOM 1469 CG PRO B 51 18.236 10.849 14.019 1.00 23.54 C ATOM 1470 CD PRO B 51 18.120 11.592 15.204 1.00 26.04 C ATOM 1471 N ASP B 52 20.955 9.490 16.887 1.00 21.99 N ATOM 1472 CA ASP B 52 22.107 9.063 17.596 1.00 20.50 C ATOM 1473 C ASP B 52 21.711 8.282 18.816 1.00 16.32 C ATOM 1474 O ASP B 52 22.264 7.261 19.307 1.00 25.55 O ATOM 1475 CB ASP B 52 22.971 10.246 17.966 1.00 32.17 C ATOM 1476 CG ASP B 52 24.234 10.367 16.728 1.00 47.24 C ATOM 1477 OD1 ASP B 52 24.140 9.731 15.886 1.00 41.78 O ATOM 1478 OD2 ASP B 52 24.041 11.689 16.359 1.00 62.08 O ATOM 1479 N ALA B 53 20.654 8.843 19.515 1.00 23.18 N ATOM 1480 CA ALA B 53 20.143 8.181 20.776 1.00 24.60 C ATOM 1481 C ALA B 53 19.728 6.737 20.669 1.00 20.91 C ATOM 1482 O ALA B 53 19.736 5.693 21.187 1.00 20.19 O ATOM 1483 CB ALA B 53 19.176 8.937 21.371 1.00 23.45 C ATOM 1484 N VAL B 54 18.925 6.610 19.428 1.00 19.02 N ATOM 1485 CA VAL B 54 18.396 5.367 18.970 1.00 17.30 C ATOM 1486 C VAL B 54 19.363 4.542 18.660 1.00 15.03 C ATOM 1487 O VAL B 54 19.429 3.266 19.120 1.00 19.06 O ATOM 1488 CB VAL B 54 17.268 5.613 17.733 1.00 27.63 C ATOM 1489 CG1 VAL B 54 17.019 4.214 17.213 1.00 22.46 C ATOM 1490 CG2 VAL B 54 16.224 6.564 17.992 1.00 27.27 C ATOM 1491 N MET B 55 20.370 4.888 17.834 1.00 21.73 N ATOM 1492 CA MET B 55 21.262 3.920 17.351 1.00 17.86 C ATOM 1493 C MET B 55 22.215 3.437 18.454 1.00 32.16 C ATOM 1494 O MET B 55 22.701 2.355 18.174 1.00 26.15 O ATOM 1495 CB MET B 55 22.167 4.509 16.152 1.00 19.12 C ATOM 1496 CG MET B 55 21.367 4.924 14.914 1.00 18.10 C ATOM 1497 SD MET B 55 20.328 3.573 14.221 1.00 21.28 S ATOM 1498 CE MET B 55 21.373 2.471 13.659 1.00 20.66 C ATOM 1499 N GLY B 56 22.406 4.339 19.361 1.00 24.42 N ATOM 1500 CA GLY B 56 23.329 3.841 20.456 1.00 36.79 C ATOM 1501 C GLY B 56 22.514 3.565 21.746 1.00 33.28 C ATOM 1502 O GLY B 56 23.093 2.903 22.699 1.00 24.94 O ATOM 1503 N ASN B 57 21.348 2.997 21.778 1.00 22.01 N ATOM 1504 CA ASN B 57 20.559 2.685 22.827 1.00 15.71 C ATOM 1505 C ASN B 57 20.755 1.267 22.976 1.00 17.88 C ATOM 1506 O ASN B 57 20.502 0.300 22.098 1.00 18.04 O ATOM 1507 CB ASN B 57 19.144 2.920 22.701 1.00 21.80 C ATOM 1508 CG ASN B 57 18.247 2.358 23.776 1.00 18.78 C ATOM 1509 OD1 ASN B 57 18.261 1.376 24.212 1.00 23.41 O ATOM 1510 ND2 ASN B 57 17.583 3.338 24.270 1.00 26.53 N ATOM 1511 N PRO B 58 21.174 0.662 24.086 1.00 24.81 N ATOM 1512 CA PRO B 58 21.379 -0.699 24.384 1.00 24.38 C ATOM 1513 C PRO B 58 20.320 -1.707 24.238 1.00 16.45 C ATOM 1514 O PRO B 58 20.621 -2.865 23.942 1.00 22.03 O ATOM 1515 CB PRO B 58 22.199 -0.585 25.810 1.00 41.00 C ATOM 1516 CG PRO B 58 21.985 0.546 26.007 1.00 36.46 C ATOM 1517 CD PRO B 58 21.572 1.751 25.438 1.00 41.75 C ATOM 1518 N LYS B 59 19.129 -1.092 24.601 1.00 16.03 N ATOM 1519 CA LYS B 59 17.877 -2.002 24.599 1.00 22.04 C ATOM 1520 C LYS B 59 17.389 -2.185 23.113 1.00 13.98 C ATOM 1521 O LYS B 59 17.132 -3.370 22.712 1.00 15.67 O ATOM 1522 CB LYS B 59 16.893 -1.439 25.346 1.00 22.22 C ATOM 1523 CG LYS B 59 17.003 -1.840 26.817 1.00 45.70 C ATOM 1524 CD LYS B 59 17.133 -0.988 27.329 1.00 44.05 C ATOM 1525 CE LYS B 59 17.311 -2.126 29.392 1.00 71.22 C ATOM 1526 NZ LYS B 59 16.304 -0.516 29.672 1.00 61.54 N ATOM 1527 N VAL B 60 17.762 -1.228 22.435 1.00 17.28 N ATOM 1528 CA VAL B 60 17.489 -1.267 20.987 1.00 18.21 C ATOM 1529 C VAL B 60 18.198 -2.383 20.467 1.00 17.60 C ATOM 1530 O VAL B 60 18.065 -3.331 19.597 1.00 19.11 O ATOM 1531 CB VAL B 60 17.415 0.000 20.196 1.00 19.15 C ATOM 1532 CG1 VAL B 60 17.700 -0.242 18.743 1.00 20.44 C ATOM 1533 CG2 VAL B 60 16.452 0.957 20.699 1.00 20.64 C ATOM 1534 N LYS B 61 19.612 -2.162 20.575 1.00 16.19 N ATOM 1535 CA LYS B 61 20.529 -3.146 20.062 1.00 15.00 C ATOM 1536 C LYS B 61 20.399 -4.610 20.622 1.00 17.90 C ATOM 1537 O LYS B 61 20.213 -5.649 19.890 1.00 20.52 O ATOM 1538 CB LYS B 61 21.934 -2.794 20.686 1.00 23.50 C ATOM 1539 CG LYS B 61 22.389 -1.790 20.123 1.00 34.21 C ATOM 1540 CD LYS B 61 23.914 -1.121 21.095 1.00 48.05 C ATOM 1541 CE LYS B 61 24.659 -0.514 19.697 1.00 65.12 C ATOM 1542 NZ LYS B 61 25.928 0.153 20.694 1.00 66.26 N ATOM 1543 N ALA B 62 19.935 -4.789 21.817 1.00 18.99 N ATOM 1544 CA ALA B 62 19.613 -6.179 22.281 1.00 20.11 C ATOM 1545 C ALA B 62 18.327 -6.740 21.532 1.00 23.44 C ATOM 1546 O ALA B 62 18.260 -7.852 21.400 1.00 21.26 O ATOM 1547 CB ALA B 62 19.287 -6.023 23.792 1.00 28.90 C ATOM 1548 N HIS B 63 17.361 -5.800 21.608 1.00 20.40 N ATOM 1549 CA HIS B 63 16.190 -6.291 20.805 1.00 18.39 C ATOM 1550 C HIS B 63 16.516 -6.639 19.256 1.00 14.88 C ATOM 1551 O HIS B 63 16.111 -7.828 18.863 1.00 18.29 O ATOM 1552 CB HIS B 63 15.116 -5.410 20.859 1.00 22.46 C ATOM 1553 CG HIS B 63 13.751 -5.776 20.554 1.00 25.19 C ATOM 1554 ND1 HIS B 63 13.281 -7.248 21.117 1.00 24.68 N ATOM 1555 CD2 HIS B 63 13.005 -5.716 19.310 1.00 20.46 C ATOM 1556 CE1 HIS B 63 11.969 -7.447 20.274 1.00 21.48 C ATOM 1557 NE2 HIS B 63 11.891 -6.627 19.400 1.00 20.00 N ATOM 1558 N GLY B 64 17.369 -5.912 18.807 1.00 15.81 N ATOM 1559 CA GLY B 64 17.753 -6.266 17.372 1.00 16.57 C ATOM 1560 C GLY B 64 18.356 -7.523 17.041 1.00 14.05 C ATOM 1561 O GLY B 64 18.321 -8.353 16.306 1.00 17.38 O ATOM 1562 N LYS B 65 19.222 -7.845 18.080 1.00 15.77 N ATOM 1563 CA LYS B 65 19.749 -9.096 18.187 1.00 17.79 C ATOM 1564 C LYS B 65 18.945 -10.321 18.319 1.00 18.32 C ATOM 1565 O LYS B 65 19.205 -11.332 17.796 1.00 19.33 O ATOM 1566 CB LYS B 65 21.117 -9.195 19.352 1.00 34.65 C ATOM 1567 CG LYS B 65 20.823 -9.337 19.828 1.00 64.04 C ATOM 1568 CD LYS B 65 22.866 -9.404 21.254 1.00 58.77 C ATOM 1569 CE LYS B 65 21.591 -11.376 21.213 1.00 64.47 C ATOM 1570 NZ LYS B 65 22.762 -11.190 23.512 1.00 67.19 N ATOM 1571 N LYS B 66 17.979 -10.126 19.094 1.00 17.45 N ATOM 1572 CA LYS B 66 17.297 -11.071 19.293 1.00 20.10 C ATOM 1573 C LYS B 66 16.171 -11.403 18.033 1.00 21.06 C ATOM 1574 O LYS B 66 15.915 -12.596 17.725 1.00 17.84 O ATOM 1575 CB LYS B 66 16.183 -10.827 20.504 1.00 22.19 C ATOM 1576 CG LYS B 66 15.115 -11.668 20.860 1.00 40.97 C ATOM 1577 CD LYS B 66 14.348 -11.289 22.165 1.00 49.22 C ATOM 1578 CE LYS B 66 14.883 -13.426 23.031 1.00 72.58 C ATOM 1579 NZ LYS B 66 13.505 -13.329 24.195 1.00 70.66 N ATOM 1580 N VAL B 67 15.722 -10.213 17.591 1.00 16.93 N ATOM 1581 CA VAL B 67 14.967 -10.430 16.204 1.00 19.22 C ATOM 1582 C VAL B 67 15.793 -10.926 15.110 1.00 11.08 C ATOM 1583 O VAL B 67 15.419 -12.032 14.481 1.00 14.57 O ATOM 1584 CB VAL B 67 14.239 -9.056 15.913 1.00 21.56 C ATOM 1585 CG1 VAL B 67 13.929 -8.835 14.427 1.00 18.58 C ATOM 1586 CG2 VAL B 67 13.400 -8.550 17.010 1.00 21.34 C ATOM 1587 N LEU B 68 16.954 -10.461 14.916 1.00 11.62 N ATOM 1588 CA LEU B 68 17.765 -11.045 13.835 1.00 15.23 C ATOM 1589 C LEU B 68 18.198 -12.546 14.030 1.00 13.22 C ATOM 1590 O LEU B 68 18.576 -13.320 13.014 1.00 14.49 O ATOM 1591 CB LEU B 68 18.788 -10.157 13.424 1.00 22.80 C ATOM 1592 CG LEU B 68 18.947 -9.620 11.990 1.00 26.57 C ATOM 1593 CD1 LEU B 68 20.192 -10.323 11.868 1.00 62.38 C ATOM 1594 CD2 LEU B 68 17.922 -9.301 11.306 1.00 35.30 C ATOM 1595 N GLY B 69 18.512 -12.954 15.230 1.00 14.77 N ATOM 1596 CA GLY B 69 18.843 -14.169 15.499 1.00 20.29 C ATOM 1597 C GLY B 69 17.847 -15.440 15.178 1.00 17.59 C ATOM 1598 O GLY B 69 17.982 -16.324 14.534 1.00 19.02 O ATOM 1599 N ALA B 70 16.471 -14.870 15.541 1.00 19.76 N ATOM 1600 CA ALA B 70 15.432 -15.582 15.055 1.00 20.35 C ATOM 1601 C ALA B 70 15.296 -15.691 13.506 1.00 16.36 C ATOM 1602 O ALA B 70 14.996 -16.706 12.805 1.00 18.12 O ATOM 1603 CB ALA B 70 14.137 -15.174 15.556 1.00 18.92 C ATOM 1604 N PHE B 71 15.441 -14.520 12.868 1.00 14.47 N ATOM 1605 CA PHE B 71 15.473 -14.523 11.393 1.00 18.37 C ATOM 1606 C PHE B 71 16.681 -15.484 10.885 1.00 23.80 C ATOM 1607 O PHE B 71 16.324 -16.238 10.064 1.00 20.23 O ATOM 1608 CB PHE B 71 15.760 -13.050 11.104 1.00 13.73 C ATOM 1609 CG PHE B 71 15.796 -12.885 9.606 1.00 18.08 C ATOM 1610 CD1 PHE B 71 14.729 -12.558 8.930 1.00 25.10 C ATOM 1611 CD2 PHE B 71 17.072 -12.967 8.830 1.00 17.17 C ATOM 1612 CE1 PHE B 71 14.623 -12.282 7.460 1.00 19.10 C ATOM 1613 CE2 PHE B 71 16.901 -12.741 7.550 1.00 22.20 C ATOM 1614 CZ PHE B 71 15.701 -12.364 6.812 1.00 12.94 C ATOM 1615 N SER B 72 17.595 -15.502 11.393 1.00 20.10 N ATOM 1616 CA SER B 72 18.969 -16.288 11.125 1.00 20.52 C ATOM 1617 C SER B 72 18.446 -17.702 11.027 1.00 24.58 C ATOM 1618 O SER B 72 18.709 -18.593 10.064 1.00 22.06 O ATOM 1619 CB SER B 72 20.232 -15.732 11.864 1.00 15.28 C ATOM 1620 OG SER B 72 21.400 -16.267 11.544 1.00 25.10 O ATOM 1621 N ASP B 73 17.933 -17.999 12.102 1.00 27.59 N ATOM 1622 CA ASP B 73 17.456 -19.508 12.282 1.00 37.45 C ATOM 1623 C ASP B 73 16.631 -19.746 11.447 1.00 25.08 C ATOM 1624 O ASP B 73 16.306 -20.962 10.848 1.00 31.64 O ATOM 1625 CB ASP B 73 17.022 -19.613 13.914 1.00 36.32 C ATOM 1626 CG ASP B 73 18.407 -19.595 14.926 1.00 45.09 C ATOM 1627 OD1 ASP B 73 19.800 -19.407 14.506 1.00 37.33 O ATOM 1628 OD2 ASP B 73 18.096 -19.496 15.880 1.00 52.94 O ATOM 1629 N GLY B 74 15.535 -19.019 10.954 1.00 21.04 N ATOM 1630 CA GLY B 74 14.735 -19.149 9.973 1.00 15.14 C ATOM 1631 C GLY B 74 14.988 -19.490 8.722 1.00 22.81 C ATOM 1632 O GLY B 74 14.637 -20.071 7.621 1.00 25.94 O ATOM 1633 N LEU B 75 16.509 -18.919 8.215 1.00 20.94 N ATOM 1634 CA LEU B 75 17.037 -19.090 6.965 1.00 15.84 C ATOM 1635 C LEU B 75 17.465 -20.570 6.842 1.00 26.11 C ATOM 1636 O LEU B 75 17.646 -20.979 5.741 1.00 28.14 O ATOM 1637 CB LEU B 75 18.377 -18.389 6.691 1.00 21.09 C ATOM 1638 CG LEU B 75 18.160 -17.146 6.885 1.00 27.76 C ATOM 1639 CD1 LEU B 75 19.415 -16.065 6.621 1.00 33.03 C ATOM 1640 CD2 LEU B 75 17.192 -16.405 5.891 1.00 30.01 C ATOM 1641 N ALA B 76 17.528 -21.312 7.923 1.00 21.21 N ATOM 1642 CA ALA B 76 17.717 -22.609 7.710 1.00 22.79 C ATOM 1643 C ALA B 76 16.647 -23.681 7.464 1.00 40.88 C ATOM 1644 O ALA B 76 16.656 -24.527 7.123 1.00 38.44 O ATOM 1645 CB ALA B 76 18.164 -23.328 9.061 1.00 29.05 C ATOM 1646 N HIS B 77 15.219 -22.886 7.385 1.00 23.87 N ATOM 1647 CA HIS B 77 13.929 -23.700 7.284 1.00 21.57 C ATOM 1648 C HIS B 77 13.284 -22.870 6.150 1.00 18.37 C ATOM 1649 O HIS B 77 12.059 -22.798 6.220 1.00 23.13 O ATOM 1650 CB HIS B 77 13.250 -23.395 8.460 1.00 29.02 C ATOM 1651 CG HIS B 77 14.079 -24.146 9.683 1.00 36.16 C ATOM 1652 ND1 HIS B 77 14.936 -23.842 10.757 1.00 45.10 N ATOM 1653 CD2 HIS B 77 14.095 -25.953 9.360 1.00 41.12 C ATOM 1654 CE1 HIS B 77 15.178 -24.891 11.130 1.00 37.52 C ATOM 1655 NE2 HIS B 77 14.852 -25.983 10.561 1.00 42.04 N ATOM 1656 N LEU B 78 13.874 -22.553 5.099 1.00 22.31 N ATOM 1657 CA LEU B 78 13.302 -21.614 4.148 1.00 20.28 C ATOM 1658 C LEU B 78 12.283 -22.522 3.216 1.00 31.20 C ATOM 1659 O LEU B 78 11.288 -21.899 3.087 1.00 34.80 O ATOM 1660 CB LEU B 78 14.257 -21.383 2.881 1.00 19.92 C ATOM 1661 CG LEU B 78 14.986 -19.978 3.420 1.00 39.49 C ATOM 1662 CD1 LEU B 78 16.407 -19.926 2.680 1.00 34.16 C ATOM 1663 CD2 LEU B 78 14.406 -18.731 3.892 1.00 31.09 C ATOM 1664 N ASP B 79 12.097 -23.916 3.393 1.00 31.59 N ATOM 1665 CA ASP B 79 11.104 -24.882 2.602 1.00 37.85 C ATOM 1666 C ASP B 79 9.843 -24.653 3.569 1.00 38.72 C ATOM 1667 O ASP B 79 9.096 -25.342 3.631 1.00 37.62 O ATOM 1668 CB ASP B 79 11.737 -26.234 3.104 1.00 48.10 C ATOM 1669 CG ASP B 79 12.662 -26.319 2.384 1.00 61.60 C ATOM 1670 OD1 ASP B 79 13.286 -27.317 2.464 1.00 57.05 O ATOM 1671 OD2 ASP B 79 12.655 -25.818 0.790 1.00 50.26 O ATOM 1672 N ASN B 80 10.028 -24.212 4.945 1.00 35.73 N ATOM 1673 CA ASN B 80 8.836 -24.555 6.146 1.00 42.30 C ATOM 1674 C ASN B 80 9.062 -22.961 6.944 1.00 30.43 C ATOM 1675 O ASN B 80 8.998 -23.185 7.997 1.00 27.17 O ATOM 1676 CB ASN B 80 9.098 -25.723 6.800 1.00 45.64 C ATOM 1677 CG ASN B 80 7.793 -26.259 7.837 1.00 49.79 C ATOM 1678 OD1 ASN B 80 6.751 -25.228 7.493 1.00 49.18 O ATOM 1679 ND2 ASN B 80 8.556 -26.466 8.946 1.00 48.18 N ATOM 1680 N LEU B 81 8.851 -21.845 6.271 1.00 31.23 N ATOM 1681 CA LEU B 81 8.683 -20.637 7.429 1.00 24.59 C ATOM 1682 C LEU B 81 7.679 -20.724 8.281 1.00 25.32 C ATOM 1683 O LEU B 81 7.523 -20.208 9.309 1.00 23.54 O ATOM 1684 CB LEU B 81 8.987 -19.631 6.449 1.00 29.09 C ATOM 1685 CG LEU B 81 10.160 -19.226 5.665 1.00 21.46 C ATOM 1686 CD1 LEU B 81 10.084 -18.185 4.643 1.00 28.62 C ATOM 1687 CD2 LEU B 81 11.341 -18.875 6.546 1.00 30.82 C ATOM 1688 N LYS B 82 6.283 -21.136 7.490 1.00 26.15 N ATOM 1689 CA LYS B 82 5.156 -20.862 8.452 1.00 24.25 C ATOM 1690 C LYS B 82 5.202 -21.643 9.461 1.00 23.08 C ATOM 1691 O LYS B 82 4.869 -21.389 10.597 1.00 24.88 O ATOM 1692 CB LYS B 82 4.142 -21.433 7.392 1.00 40.41 C ATOM 1693 CG LYS B 82 3.479 -20.229 6.738 1.00 39.73 C ATOM 1694 CD LYS B 82 2.160 -20.747 5.755 1.00 66.91 C ATOM 1695 CE LYS B 82 1.685 -20.767 6.266 1.00 59.33 C ATOM 1696 NZ LYS B 82 -0.023 -22.087 5.346 1.00 80.12 N ATOM 1697 N GLY B 83 5.725 -22.942 9.358 1.00 26.18 N ATOM 1698 CA GLY B 83 5.798 -23.724 10.746 1.00 41.64 C ATOM 1699 C GLY B 83 6.819 -23.249 11.591 1.00 31.59 C ATOM 1700 O GLY B 83 6.621 -23.464 12.858 1.00 36.40 O ATOM 1701 N THR B 84 7.985 -22.864 11.019 1.00 26.72 N ATOM 1702 CA THR B 84 9.150 -22.242 11.744 1.00 25.47 C ATOM 1703 C THR B 84 8.609 -21.278 12.796 1.00 33.72 C ATOM 1704 O THR B 84 8.964 -20.907 13.790 1.00 27.43 O ATOM 1705 CB THR B 84 10.394 -21.742 11.042 1.00 25.58 C ATOM 1706 OG1 THR B 84 10.806 -23.108 10.337 1.00 39.04 O ATOM 1707 CG2 THR B 84 11.362 -21.482 11.789 1.00 30.76 C ATOM 1708 N PHE B 85 7.740 -20.301 12.125 1.00 23.61 N ATOM 1709 CA PHE B 85 7.236 -18.963 12.749 1.00 21.59 C ATOM 1710 C PHE B 85 5.980 -19.056 13.414 1.00 28.51 C ATOM 1711 O PHE B 85 5.496 -18.006 13.809 1.00 18.85 O ATOM 1712 CB PHE B 85 7.575 -17.733 11.855 1.00 18.34 C ATOM 1713 CG PHE B 85 8.914 -17.486 11.587 1.00 13.87 C ATOM 1714 CD1 PHE B 85 9.583 -17.701 10.358 1.00 16.61 C ATOM 1715 CD2 PHE B 85 9.616 -17.039 12.693 1.00 18.32 C ATOM 1716 CE1 PHE B 85 11.009 -17.444 10.305 1.00 27.99 C ATOM 1717 CE2 PHE B 85 11.013 -16.752 12.253 1.00 21.68 C ATOM 1718 CZ PHE B 85 11.837 -16.973 11.161 1.00 21.59 C ATOM 1719 N ALA B 86 5.328 -20.141 13.373 1.00 22.16 N ATOM 1720 CA ALA B 86 3.899 -20.242 13.948 1.00 23.14 C ATOM 1721 C ALA B 86 3.715 -19.788 15.246 1.00 20.99 C ATOM 1722 O ALA B 86 2.881 -18.975 15.595 1.00 20.07 O ATOM 1723 CB ALA B 86 3.272 -21.660 13.783 1.00 23.69 C ATOM 1724 N THR B 87 4.501 -20.280 16.157 1.00 14.82 N ATOM 1725 CA THR B 87 4.271 -19.764 17.443 1.00 18.61 C ATOM 1726 C THR B 87 4.737 -18.271 17.729 1.00 25.42 C ATOM 1727 O THR B 87 4.013 -17.569 18.383 1.00 23.63 O ATOM 1728 CB THR B 87 5.631 -20.439 18.664 1.00 36.27 C ATOM 1729 OG1 THR B 87 5.010 -21.597 18.659 1.00 56.82 O ATOM 1730 CG2 THR B 87 4.455 -20.311 20.305 1.00 60.80 C ATOM 1731 N LEU B 88 5.836 -17.770 16.978 1.00 19.44 N ATOM 1732 CA LEU B 88 5.984 -16.362 17.087 1.00 17.97 C ATOM 1733 C LEU B 88 4.882 -15.510 16.526 1.00 11.34 C ATOM 1734 O LEU B 88 4.682 -14.416 16.964 1.00 17.71 O ATOM 1735 CB LEU B 88 7.361 -16.058 16.476 1.00 20.20 C ATOM 1736 CG LEU B 88 8.654 -16.553 17.229 1.00 27.17 C ATOM 1737 CD1 LEU B 88 9.614 -15.962 16.454 1.00 32.32 C ATOM 1738 CD2 LEU B 88 8.631 -15.491 18.343 1.00 27.72 C ATOM 1739 N SER B 89 4.254 -16.087 15.451 1.00 12.58 N ATOM 1740 CA SER B 89 3.084 -15.313 14.877 1.00 15.21 C ATOM 1741 C SER B 89 1.999 -14.995 15.898 1.00 14.13 C ATOM 1742 O SER B 89 1.472 -13.894 16.189 1.00 14.29 O ATOM 1743 CB SER B 89 2.771 -16.248 13.670 1.00 18.34 C ATOM 1744 OG SER B 89 1.531 -15.441 13.107 1.00 17.85 O ATOM 1745 N GLU B 90 1.628 -16.201 16.484 1.00 14.25 N ATOM 1746 CA GLU B 90 0.931 -16.070 17.617 1.00 20.50 C ATOM 1747 C GLU B 90 0.876 -15.142 18.820 1.00 13.47 C ATOM 1748 O GLU B 90 0.179 -14.243 19.122 1.00 16.05 O ATOM 1749 CB GLU B 90 0.387 -17.706 18.270 1.00 21.76 C ATOM 1750 CG GLU B 90 0.049 -18.266 17.145 1.00 48.13 C ATOM 1751 CD GLU B 90 -0.726 -20.095 17.710 1.00 78.64 C ATOM 1752 OE1 GLU B 90 -1.132 -19.837 18.495 1.00 55.55 O ATOM 1753 OE2 GLU B 90 0.235 -20.950 17.492 1.00 74.37 O ATOM 1754 N LEU B 91 2.312 -15.215 19.185 1.00 13.36 N ATOM 1755 CA LEU B 91 2.718 -14.253 20.128 1.00 14.20 C ATOM 1756 C LEU B 91 2.527 -12.831 19.767 1.00 8.80 C ATOM 1757 O LEU B 91 2.160 -11.906 20.481 1.00 10.74 O ATOM 1758 CB LEU B 91 4.110 -14.807 20.432 1.00 12.00 C ATOM 1759 CG LEU B 91 4.669 -13.801 21.348 1.00 18.50 C ATOM 1760 CD1 LEU B 91 4.127 -14.212 22.834 1.00 20.79 C ATOM 1761 CD2 LEU B 91 5.943 -13.652 21.455 1.00 37.40 C ATOM 1762 N HIS B 92 3.059 -12.662 18.493 1.00 10.78 N ATOM 1763 CA HIS B 92 3.032 -11.268 18.253 1.00 11.85 C ATOM 1764 C HIS B 92 1.536 -10.600 17.895 1.00 11.06 C ATOM 1765 O HIS B 92 1.291 -9.431 18.158 1.00 13.45 O ATOM 1766 CB HIS B 92 3.754 -11.078 16.807 1.00 9.95 C ATOM 1767 CG HIS B 92 5.289 -10.900 17.051 1.00 15.50 C ATOM 1768 ND1 HIS B 92 6.099 -12.172 17.134 1.00 15.27 N ATOM 1769 CD2 HIS B 92 6.215 -9.905 16.994 1.00 23.76 C ATOM 1770 CE1 HIS B 92 7.432 -11.572 17.375 1.00 16.99 C ATOM 1771 NE2 HIS B 92 7.367 -10.337 17.129 1.00 14.76 N ATOM 1772 N CYS B 93 0.636 -11.512 17.534 1.00 14.83 N ATOM 1773 CA CYS B 93 -0.706 -11.057 17.499 1.00 12.23 C ATOM 1774 C CYS B 93 -1.360 -10.953 18.986 1.00 10.49 C ATOM 1775 O CYS B 93 -1.843 -9.987 19.222 1.00 18.01 O ATOM 1776 CB CYS B 93 -1.330 -12.054 16.605 1.00 15.43 C ATOM 1777 SG CYS B 93 -3.259 -11.741 16.494 1.00 18.37 S ATOM 1778 N ASP B 94 -1.338 -12.094 19.598 1.00 13.11 N ATOM 1779 CA ASP B 94 -2.308 -12.076 20.721 1.00 15.32 C ATOM 1780 C ASP B 94 -1.586 -11.449 21.803 1.00 25.71 C ATOM 1781 O ASP B 94 -2.319 -10.827 22.800 1.00 21.65 O ATOM 1782 CB ASP B 94 -2.522 -13.477 21.183 1.00 21.65 C ATOM 1783 CG ASP B 94 -3.443 -14.553 20.246 1.00 42.42 C ATOM 1784 OD1 ASP B 94 -3.967 -13.792 19.626 1.00 30.02 O ATOM 1785 OD2 ASP B 94 -3.094 -15.441 20.443 1.00 43.30 O ATOM 1786 N LYS B 95 -0.348 -11.361 22.144 1.00 18.55 N ATOM 1787 CA LYS B 95 0.080 -10.591 23.184 1.00 19.10 C ATOM 1788 C LYS B 95 0.803 -9.499 23.130 1.00 19.57 C ATOM 1789 O LYS B 95 0.736 -8.565 23.699 1.00 21.87 O ATOM 1790 CB LYS B 95 1.151 -11.737 23.890 1.00 25.95 C ATOM 1791 CG LYS B 95 0.477 -13.054 24.377 1.00 24.86 C ATOM 1792 CD LYS B 95 -0.659 -12.473 25.407 1.00 36.14 C ATOM 1793 CE LYS B 95 -1.063 -13.745 26.122 1.00 47.76 C ATOM 1794 NZ LYS B 95 -2.126 -13.501 26.952 1.00 55.91 N ATOM 1795 N LEU B 96 1.669 -9.358 21.897 1.00 12.40 N ATOM 1796 CA LEU B 96 2.264 -8.159 21.581 1.00 11.86 C ATOM 1797 C LEU B 96 1.626 -7.005 20.824 1.00 15.10 C ATOM 1798 O LEU B 96 2.002 -5.926 20.849 1.00 17.50 O ATOM 1799 CB LEU B 96 3.645 -8.491 21.134 1.00 14.08 C ATOM 1800 CG LEU B 96 4.528 -9.722 21.739 1.00 12.34 C ATOM 1801 CD1 LEU B 96 5.778 -9.939 20.848 1.00 13.78 C ATOM 1802 CD2 LEU B 96 4.863 -8.876 23.113 1.00 22.81 C ATOM 1803 N HIS B 97 0.616 -7.508 20.069 1.00 15.44 N ATOM 1804 CA HIS B 97 -0.223 -6.510 19.374 1.00 18.15 C ATOM 1805 C HIS B 97 0.581 -5.736 18.319 1.00 12.24 C ATOM 1806 O HIS B 97 0.337 -4.532 18.056 1.00 15.82 O ATOM 1807 CB HIS B 97 -1.053 -5.508 20.203 1.00 17.74 C ATOM 1808 CG HIS B 97 -1.716 -6.273 21.483 1.00 16.77 C ATOM 1809 ND1 HIS B 97 -2.602 -7.310 21.250 1.00 19.56 N ATOM 1810 CD2 HIS B 97 -1.189 -6.197 22.703 1.00 23.33 C ATOM 1811 CE1 HIS B 97 -2.759 -7.812 22.476 1.00 19.82 C ATOM 1812 NE2 HIS B 97 -2.056 -7.104 23.341 1.00 20.39 N ATOM 1813 N VAL B 98 1.359 -6.524 17.506 1.00 13.81 N ATOM 1814 CA VAL B 98 2.284 -5.763 16.567 1.00 9.22 C ATOM 1815 C VAL B 98 1.443 -5.905 15.109 1.00 9.86 C ATOM 1816 O VAL B 98 1.420 -7.012 14.615 1.00 12.90 O ATOM 1817 CB VAL B 98 3.592 -6.460 16.393 1.00 9.87 C ATOM 1818 CG1 VAL B 98 4.438 -5.824 15.405 1.00 14.91 C ATOM 1819 CG2 VAL B 98 4.444 -6.258 17.798 1.00 11.36 C ATOM 1820 N ASP B 99 1.147 -4.763 14.513 1.00 11.46 N ATOM 1821 CA ASP B 99 0.360 -4.723 13.272 1.00 9.02 C ATOM 1822 C ASP B 99 1.555 -5.328 12.375 1.00 15.41 C ATOM 1823 O ASP B 99 2.744 -4.931 12.235 1.00 10.63 O ATOM 1824 CB ASP B 99 0.336 -3.327 12.907 1.00 9.79 C ATOM 1825 CG ASP B 99 -0.231 -3.002 11.431 1.00 10.69 C ATOM 1826 OD1 ASP B 99 -0.535 -1.748 11.309 1.00 15.04 O ATOM 1827 OD2 ASP B 99 -0.299 -4.052 10.734 1.00 11.07 O ATOM 1828 N PRO B 100 1.274 -6.350 11.556 1.00 10.46 N ATOM 1829 CA PRO B 100 2.264 -7.099 10.669 1.00 11.87 C ATOM 1830 C PRO B 100 2.744 -6.170 9.522 1.00 13.04 C ATOM 1831 O PRO B 100 3.883 -6.627 8.995 1.00 13.79 O ATOM 1832 CB PRO B 100 1.545 -8.233 10.081 1.00 17.03 C ATOM 1833 CG PRO B 100 0.234 -8.243 10.793 1.00 17.33 C ATOM 1834 CD PRO B 100 -0.030 -7.028 11.592 1.00 9.97 C ATOM 1835 N GLU B 101 2.300 -4.973 9.393 1.00 9.66 N ATOM 1836 CA GLU B 101 2.927 -3.983 8.469 1.00 11.29 C ATOM 1837 C GLU B 101 4.322 -3.633 8.825 1.00 17.59 C ATOM 1838 O GLU B 101 5.293 -3.640 8.196 1.00 16.98 O ATOM 1839 CB GLU B 101 2.178 -2.819 8.156 1.00 18.71 C ATOM 1840 CG GLU B 101 2.755 -1.760 7.270 1.00 30.25 C ATOM 1841 CD GLU B 101 2.569 -2.612 5.445 1.00 26.27 C ATOM 1842 OE1 GLU B 101 1.725 -3.411 5.564 1.00 25.29 O ATOM 1843 OE2 GLU B 101 3.441 -1.765 5.293 1.00 34.30 O ATOM 1844 N ASN B 102 4.601 -3.752 10.314 1.00 12.60 N ATOM 1845 CA ASN B 102 5.969 -3.548 10.721 1.00 9.48 C ATOM 1846 C ASN B 102 6.861 -4.572 10.309 1.00 8.44 C ATOM 1847 O ASN B 102 8.118 -4.224 10.106 1.00 13.92 O ATOM 1848 CB ASN B 102 5.901 -3.665 12.265 1.00 18.27 C ATOM 1849 CG ASN B 102 5.284 -2.285 12.825 1.00 26.18 C ATOM 1850 OD1 ASN B 102 5.641 -1.422 12.815 1.00 20.87 O ATOM 1851 ND2 ASN B 102 4.003 -2.618 13.502 1.00 25.76 N ATOM 1852 N PHE B 103 6.584 -5.846 10.057 1.00 11.66 N ATOM 1853 CA PHE B 103 7.332 -6.920 9.605 1.00 11.79 C ATOM 1854 C PHE B 103 7.931 -6.435 8.177 1.00 19.35 C ATOM 1855 O PHE B 103 8.997 -6.751 7.762 1.00 16.06 O ATOM 1856 CB PHE B 103 6.816 -8.253 9.574 1.00 12.75 C ATOM 1857 CG PHE B 103 6.173 -8.727 10.951 1.00 17.48 C ATOM 1858 CD1 PHE B 103 6.884 -8.372 12.079 1.00 13.65 C ATOM 1859 CD2 PHE B 103 5.035 -9.335 10.925 1.00 13.36 C ATOM 1860 CE1 PHE B 103 6.240 -8.652 13.315 1.00 14.94 C ATOM 1861 CE2 PHE B 103 4.498 -9.665 12.273 1.00 14.24 C ATOM 1862 CZ PHE B 103 5.298 -9.364 13.368 1.00 19.61 C ATOM 1863 N ARG B 104 6.970 -5.873 7.380 1.00 13.60 N ATOM 1864 CA ARG B 104 7.430 -5.624 6.005 1.00 17.00 C ATOM 1865 C ARG B 104 8.326 -4.499 5.935 1.00 13.66 C ATOM 1866 O ARG B 104 9.337 -4.368 5.141 1.00 13.41 O ATOM 1867 CB ARG B 104 6.018 -5.177 5.223 1.00 18.62 C ATOM 1868 CG ARG B 104 5.137 -6.280 4.965 1.00 31.60 C ATOM 1869 CD ARG B 104 3.494 -6.093 4.370 1.00 44.99 C ATOM 1870 NE ARG B 104 2.810 -7.429 5.065 1.00 53.69 N ATOM 1871 CZ ARG B 104 1.600 -6.829 3.420 1.00 80.12 C ATOM 1872 NH1 ARG B 104 0.761 -5.157 3.344 1.00 72.76 N ATOM 1873 NH2 ARG B 104 1.186 -8.540 2.528 1.00 80.07 N ATOM 1874 N LEU B 105 8.064 -3.438 6.831 1.00 12.29 N ATOM 1875 CA LEU B 105 8.899 -2.275 6.982 1.00 11.07 C ATOM 1876 C LEU B 105 10.327 -2.808 7.482 1.00 13.91 C ATOM 1877 O LEU B 105 11.317 -2.347 6.887 1.00 14.94 O ATOM 1878 CB LEU B 105 8.443 -1.409 8.005 1.00 12.50 C ATOM 1879 CG LEU B 105 7.121 -0.514 7.549 1.00 17.21 C ATOM 1880 CD1 LEU B 105 6.747 0.236 8.813 1.00 19.52 C ATOM 1881 CD2 LEU B 105 7.420 0.384 6.353 1.00 25.82 C ATOM 1882 N LEU B 106 10.302 -3.738 8.415 1.00 16.16 N ATOM 1883 CA LEU B 106 11.679 -4.227 8.855 1.00 11.19 C ATOM 1884 C LEU B 106 12.325 -4.914 7.713 1.00 11.49 C ATOM 1885 O LEU B 106 13.544 -4.734 7.492 1.00 14.59 O ATOM 1886 CB LEU B 106 11.615 -5.043 10.074 1.00 9.57 C ATOM 1887 CG LEU B 106 12.904 -5.567 10.740 1.00 14.52 C ATOM 1888 CD1 LEU B 106 13.738 -4.483 11.015 1.00 20.21 C ATOM 1889 CD2 LEU B 106 12.609 -6.504 11.567 1.00 25.23 C ATOM 1890 N GLY B 107 11.728 -5.699 6.854 1.00 8.80 N ATOM 1891 CA GLY B 107 12.297 -6.476 5.851 1.00 11.35 C ATOM 1892 C GLY B 107 12.781 -5.426 4.844 1.00 11.83 C ATOM 1893 O GLY B 107 13.958 -5.700 4.332 1.00 14.42 O ATOM 1894 N ASN B 108 12.187 -4.243 4.553 1.00 11.55 N ATOM 1895 CA ASN B 108 12.802 -3.506 3.538 1.00 9.47 C ATOM 1896 C ASN B 108 14.026 -2.647 4.184 1.00 9.85 C ATOM 1897 O ASN B 108 14.983 -2.466 3.460 1.00 13.16 O ATOM 1898 CB ASN B 108 11.824 -2.458 3.182 1.00 16.47 C ATOM 1899 CG ASN B 108 10.727 -3.234 1.924 1.00 25.36 C ATOM 1900 OD1 ASN B 108 11.335 -4.320 1.398 1.00 28.00 O ATOM 1901 ND2 ASN B 108 10.036 -2.270 2.100 1.00 42.45 N ATOM 1902 N VAL B 109 14.008 -2.327 5.491 1.00 11.97 N ATOM 1903 CA VAL B 109 15.193 -1.717 6.001 1.00 8.99 C ATOM 1904 C VAL B 109 16.259 -2.676 6.124 1.00 12.55 C ATOM 1905 O VAL B 109 17.518 -2.304 5.902 1.00 13.71 O ATOM 1906 CB VAL B 109 14.853 -1.250 7.488 1.00 15.07 C ATOM 1907 CG1 VAL B 109 16.100 -0.810 8.069 1.00 19.91 C ATOM 1908 CG2 VAL B 109 13.852 0.066 7.393 1.00 15.78 C ATOM 1909 N LEU B 110 16.030 -4.023 6.388 1.00 9.97 N ATOM 1910 CA LEU B 110 17.059 -5.101 6.357 1.00 9.78 C ATOM 1911 C LEU B 110 17.764 -5.056 5.040 1.00 13.14 C ATOM 1912 O LEU B 110 18.980 -5.187 4.895 1.00 11.97 O ATOM 1913 CB LEU B 110 16.410 -6.369 6.847 1.00 11.11 C ATOM 1914 CG LEU B 110 17.490 -7.596 6.862 1.00 18.59 C ATOM 1915 CD1 LEU B 110 18.696 -7.290 7.723 1.00 24.07 C ATOM 1916 CD2 LEU B 110 17.031 -8.897 7.193 1.00 21.67 C ATOM 1917 N VAL B 111 17.015 -5.083 3.938 1.00 10.25 N ATOM 1918 CA VAL B 111 17.517 -5.121 2.535 1.00 8.08 C ATOM 1919 C VAL B 111 18.459 -3.959 2.465 1.00 10.10 C ATOM 1920 O VAL B 111 19.605 -3.960 1.822 1.00 14.18 O ATOM 1921 CB VAL B 111 16.320 -5.216 1.576 1.00 11.95 C ATOM 1922 CG1 VAL B 111 16.949 -4.942 0.196 1.00 16.64 C ATOM 1923 CG2 VAL B 111 15.888 -6.643 1.659 1.00 12.92 C ATOM 1924 N CYS B 112 18.155 -2.685 2.811 1.00 10.01 N ATOM 1925 CA CYS B 112 18.863 -1.400 2.699 1.00 9.19 C ATOM 1926 C CYS B 112 20.143 -1.657 3.581 1.00 14.92 C ATOM 1927 O CYS B 112 21.199 -1.284 3.015 1.00 13.93 O ATOM 1928 CB CYS B 112 18.369 -0.230 3.207 1.00 15.04 C ATOM 1929 SG CYS B 112 16.911 0.308 2.042 1.00 18.10 S ATOM 1930 N VAL B 113 19.969 -2.202 4.651 1.00 9.52 N ATOM 1931 CA VAL B 113 21.202 -2.512 5.398 1.00 11.92 C ATOM 1932 C VAL B 113 22.035 -3.532 4.865 1.00 15.57 C ATOM 1933 O VAL B 113 23.397 -3.138 4.862 1.00 13.38 O ATOM 1934 CB VAL B 113 20.888 -2.948 6.932 1.00 12.70 C ATOM 1935 CG1 VAL B 113 22.031 -3.383 7.663 1.00 17.23 C ATOM 1936 CG2 VAL B 113 20.282 -1.893 7.694 1.00 17.43 C ATOM 1937 N LEU B 114 21.768 -4.615 4.224 1.00 10.74 N ATOM 1938 CA LEU B 114 22.632 -5.454 3.485 1.00 10.20 C ATOM 1939 C LEU B 114 23.346 -4.641 2.455 1.00 10.87 C ATOM 1940 O LEU B 114 24.522 -5.071 2.156 1.00 12.76 O ATOM 1941 CB LEU B 114 21.856 -6.600 3.242 1.00 6.84 C ATOM 1942 CG LEU B 114 21.362 -7.530 4.328 1.00 10.74 C ATOM 1943 CD1 LEU B 114 20.435 -8.554 3.798 1.00 15.38 C ATOM 1944 CD2 LEU B 114 22.500 -8.141 5.077 1.00 21.35 C ATOM 1945 N ALA B 115 22.472 -3.897 1.677 1.00 9.28 N ATOM 1946 CA ALA B 115 23.134 -3.206 0.546 1.00 9.22 C ATOM 1947 C ALA B 115 24.284 -2.278 1.091 1.00 9.44 C ATOM 1948 O ALA B 115 25.320 -2.142 0.446 1.00 12.10 O ATOM 1949 CB ALA B 115 21.930 -2.539 -0.036 1.00 12.15 C ATOM 1950 N HIS B 116 23.975 -1.612 2.171 1.00 13.11 N ATOM 1951 CA HIS B 116 25.023 -0.593 2.641 1.00 12.81 C ATOM 1952 C HIS B 116 26.176 -1.395 3.061 1.00 18.85 C ATOM 1953 O HIS B 116 27.357 -0.986 2.878 1.00 16.05 O ATOM 1954 CB HIS B 116 24.442 0.070 3.767 1.00 17.43 C ATOM 1955 CG HIS B 116 25.164 1.158 4.279 1.00 27.80 C ATOM 1956 ND1 HIS B 116 25.567 1.157 5.736 1.00 27.30 N ATOM 1957 CD2 HIS B 116 25.793 2.195 3.793 1.00 25.62 C ATOM 1958 CE1 HIS B 116 26.226 2.480 5.818 1.00 29.22 C ATOM 1959 NE2 HIS B 116 26.570 2.986 4.660 1.00 26.05 N ATOM 1960 N HIS B 117 26.066 -2.490 3.850 1.00 11.35 N ATOM 1961 CA HIS B 117 27.064 -3.366 4.194 1.00 18.75 C ATOM 1962 C HIS B 117 27.881 -3.985 3.242 1.00 20.53 C ATOM 1963 O HIS B 117 29.104 -4.114 3.403 1.00 17.07 O ATOM 1964 CB HIS B 117 26.621 -4.637 5.175 1.00 19.57 C ATOM 1965 CG HIS B 117 27.096 -4.621 6.444 1.00 39.90 C ATOM 1966 ND1 HIS B 117 26.039 -3.036 6.824 1.00 47.73 N ATOM 1967 CD2 HIS B 117 28.146 -5.329 7.512 1.00 38.82 C ATOM 1968 CE1 HIS B 117 26.295 -2.928 8.550 1.00 27.38 C ATOM 1969 NE2 HIS B 117 26.763 -4.335 8.924 1.00 51.83 N ATOM 1970 N PHE B 118 27.367 -4.628 2.104 1.00 13.44 N ATOM 1971 CA PHE B 118 27.888 -5.419 1.096 1.00 13.47 C ATOM 1972 C PHE B 118 28.280 -4.574 -0.126 1.00 14.52 C ATOM 1973 O PHE B 118 29.082 -5.219 -0.874 1.00 15.85 O ATOM 1974 CB PHE B 118 27.174 -6.618 0.947 1.00 14.99 C ATOM 1975 CG PHE B 118 27.310 -7.470 1.980 1.00 22.65 C ATOM 1976 CD1 PHE B 118 26.224 -7.666 2.855 1.00 28.61 C ATOM 1977 CD2 PHE B 118 28.549 -8.159 2.601 1.00 34.26 C ATOM 1978 CE1 PHE B 118 26.242 -8.675 3.981 1.00 29.50 C ATOM 1979 CE2 PHE B 118 28.351 -9.080 3.277 1.00 36.60 C ATOM 1980 CZ PHE B 118 27.627 -9.130 4.417 1.00 30.15 C ATOM 1981 N GLY B 119 27.701 -3.412 -0.335 1.00 13.81 N ATOM 1982 CA GLY B 119 28.107 -2.567 -1.533 1.00 14.28 C ATOM 1983 C GLY B 119 27.814 -3.353 -2.686 1.00 17.07 C ATOM 1984 O GLY B 119 26.808 -4.212 -2.888 1.00 16.48 O ATOM 1985 N LYS B 120 28.740 -3.472 -3.465 1.00 19.17 N ATOM 1986 CA LYS B 120 28.535 -4.059 -4.848 1.00 27.00 C ATOM 1987 C LYS B 120 28.486 -5.640 -4.886 1.00 25.94 C ATOM 1988 O LYS B 120 27.868 -6.039 -5.935 1.00 20.66 O ATOM 1989 CB LYS B 120 29.863 -3.838 -5.852 1.00 31.85 C ATOM 1990 CG LYS B 120 30.960 -4.510 -5.562 1.00 36.58 C ATOM 1991 CD LYS B 120 32.161 -4.170 -6.625 1.00 49.76 C ATOM 1992 CE LYS B 120 33.201 -5.292 -5.966 1.00 55.47 C ATOM 1993 NZ LYS B 120 34.292 -5.686 -6.589 1.00 71.03 N ATOM 1994 N GLU B 121 28.720 -6.302 -3.902 1.00 20.26 N ATOM 1995 CA GLU B 121 28.393 -7.556 -3.778 1.00 15.17 C ATOM 1996 C GLU B 121 26.786 -7.871 -3.622 1.00 13.63 C ATOM 1997 O GLU B 121 26.362 -9.055 -3.923 1.00 17.16 O ATOM 1998 CB GLU B 121 29.233 -8.318 -2.533 1.00 29.40 C ATOM 1999 CG GLU B 121 29.541 -9.342 -2.700 1.00 50.25 C ATOM 2000 CD GLU B 121 30.241 -9.882 -0.830 1.00 42.74 C ATOM 2001 OE1 GLU B 121 29.786 -11.667 -1.141 1.00 47.83 O ATOM 2002 OE2 GLU B 121 31.217 -9.425 -1.168 1.00 34.52 O ATOM 2003 N PHE B 122 26.054 -6.831 -3.241 1.00 14.63 N ATOM 2004 CA PHE B 122 24.581 -7.077 -3.075 1.00 15.34 C ATOM 2005 C PHE B 122 24.015 -6.737 -4.532 1.00 13.61 C ATOM 2006 O PHE B 122 23.478 -5.701 -4.760 1.00 14.29 O ATOM 2007 CB PHE B 122 24.133 -6.005 -1.987 1.00 12.07 C ATOM 2008 CG PHE B 122 22.750 -6.466 -1.525 1.00 11.02 C ATOM 2009 CD1 PHE B 122 22.540 -7.652 -0.894 1.00 16.65 C ATOM 2010 CD2 PHE B 122 21.790 -5.593 -1.747 1.00 10.83 C ATOM 2011 CE1 PHE B 122 21.288 -8.069 -0.329 1.00 13.73 C ATOM 2012 CE2 PHE B 122 20.427 -5.937 -1.325 1.00 12.97 C ATOM 2013 CZ PHE B 122 20.322 -7.247 -0.672 1.00 16.05 C ATOM 2014 N THR B 123 24.216 -7.664 -5.332 1.00 18.07 N ATOM 2015 CA THR B 123 23.866 -7.444 -6.796 1.00 21.03 C ATOM 2016 C THR B 123 22.176 -7.347 -6.888 1.00 27.18 C ATOM 2017 O THR B 123 21.678 -7.911 -6.078 1.00 14.31 O ATOM 2018 CB THR B 123 24.352 -8.535 -7.622 1.00 19.82 C ATOM 2019 OG1 THR B 123 24.030 -9.746 -7.305 1.00 17.47 O ATOM 2020 CG2 THR B 123 25.945 -8.568 -7.681 1.00 22.67 C ATOM 2021 N PRO B 124 21.821 -7.033 -7.981 1.00 19.47 N ATOM 2022 CA PRO B 124 20.309 -7.060 -8.306 1.00 20.19 C ATOM 2023 C PRO B 124 19.874 -8.457 -8.199 1.00 20.69 C ATOM 2024 O PRO B 124 18.738 -8.543 -7.455 1.00 13.34 O ATOM 2025 CB PRO B 124 20.074 -6.480 -9.678 1.00 17.09 C ATOM 2026 CG PRO B 124 21.308 -5.510 -9.842 1.00 18.87 C ATOM 2027 CD PRO B 124 22.649 -6.190 -9.202 1.00 24.42 C ATOM 2028 N PRO B 125 20.354 -9.489 -8.576 1.00 16.20 N ATOM 2029 CA PRO B 125 19.952 -10.892 -8.433 1.00 16.84 C ATOM 2030 C PRO B 125 19.925 -11.341 -6.992 1.00 14.92 C ATOM 2031 O PRO B 125 18.950 -11.983 -6.530 1.00 16.05 O ATOM 2032 CB PRO B 125 20.675 -11.924 -9.198 1.00 19.48 C ATOM 2033 CG PRO B 125 21.240 -11.056 -10.143 1.00 21.56 C ATOM 2034 CD PRO B 125 21.611 -9.723 -9.654 1.00 25.73 C ATOM 2035 N VAL B 126 20.904 -10.923 -6.329 1.00 13.83 N ATOM 2036 CA VAL B 126 20.919 -11.183 -4.904 1.00 19.80 C ATOM 2037 C VAL B 126 20.061 -10.295 -4.143 1.00 14.89 C ATOM 2038 O VAL B 126 19.229 -10.946 -3.203 1.00 13.92 O ATOM 2039 CB VAL B 126 22.424 -10.769 -4.382 1.00 19.55 C ATOM 2040 CG1 VAL B 126 22.408 -11.156 -2.912 1.00 21.55 C ATOM 2041 CG2 VAL B 126 23.366 -11.841 -4.809 1.00 27.82 C ATOM 2042 N GLN B 127 19.711 -9.155 -4.321 1.00 13.64 N ATOM 2043 CA GLN B 127 18.607 -8.382 -3.880 1.00 9.72 C ATOM 2044 C GLN B 127 17.397 -9.130 -3.899 1.00 16.14 C ATOM 2045 O GLN B 127 16.431 -9.272 -3.189 1.00 12.24 O ATOM 2046 CB GLN B 127 18.574 -6.951 -4.292 1.00 13.15 C ATOM 2047 CG GLN B 127 17.258 -6.340 -3.818 1.00 13.42 C ATOM 2048 CD GLN B 127 17.180 -5.056 -4.465 1.00 16.28 C ATOM 2049 OE1 GLN B 127 17.979 -4.488 -5.247 1.00 16.20 O ATOM 2050 NE2 GLN B 127 16.107 -4.400 -4.118 1.00 19.47 N ATOM 2051 N ALA B 128 17.014 -9.478 -5.230 1.00 15.15 N ATOM 2052 CA ALA B 128 15.847 -10.225 -5.543 1.00 15.02 C ATOM 2053 C ALA B 128 15.496 -11.450 -4.737 1.00 11.97 C ATOM 2054 O ALA B 128 14.413 -11.642 -4.228 1.00 16.35 O ATOM 2055 CB ALA B 128 15.759 -10.403 -7.092 1.00 17.08 C ATOM 2056 N ALA B 129 16.462 -12.287 -4.461 1.00 13.66 N ATOM 2057 CA ALA B 129 16.408 -13.427 -3.647 1.00 13.76 C ATOM 2058 C ALA B 129 16.208 -12.966 -2.160 1.00 10.22 C ATOM 2059 O ALA B 129 15.192 -13.627 -1.584 1.00 10.46 O ATOM 2060 CB ALA B 129 17.632 -14.165 -3.702 1.00 13.23 C ATOM 2061 N TYR B 130 16.867 -11.953 -1.693 1.00 10.66 N ATOM 2062 CA TYR B 130 16.462 -11.629 -0.331 1.00 13.05 C ATOM 2063 C TYR B 130 15.102 -10.929 -0.163 1.00 11.70 C ATOM 2064 O TYR B 130 14.473 -11.012 0.813 1.00 11.83 O ATOM 2065 CB TYR B 130 17.543 -10.575 0.161 1.00 11.97 C ATOM 2066 CG TYR B 130 18.623 -11.287 0.924 1.00 13.90 C ATOM 2067 CD1 TYR B 130 18.650 -11.526 2.272 1.00 15.61 C ATOM 2068 CD2 TYR B 130 19.782 -11.574 0.237 1.00 14.18 C ATOM 2069 CE1 TYR B 130 19.630 -12.272 2.811 1.00 19.97 C ATOM 2070 CE2 TYR B 130 20.865 -12.543 0.889 1.00 19.65 C ATOM 2071 CZ TYR B 130 20.770 -12.571 2.260 1.00 22.28 C ATOM 2072 OH TYR B 130 21.731 -13.339 2.902 1.00 21.52 O ATOM 2073 N GLN B 131 14.606 -10.236 -1.202 1.00 12.03 N ATOM 2074 CA GLN B 131 13.282 -9.830 -1.214 1.00 12.03 C ATOM 2075 C GLN B 131 12.216 -10.851 -1.125 1.00 12.76 C ATOM 2076 O GLN B 131 11.369 -10.664 -0.189 1.00 15.09 O ATOM 2077 CB GLN B 131 12.944 -9.078 -2.464 1.00 14.85 C ATOM 2078 CG GLN B 131 13.735 -7.716 -2.449 1.00 19.57 C ATOM 2079 CD GLN B 131 13.251 -6.548 -1.638 1.00 22.82 C ATOM 2080 OE1 GLN B 131 13.981 -5.553 -1.833 1.00 18.44 O ATOM 2081 NE2 GLN B 131 12.251 -6.415 -0.990 1.00 16.43 N ATOM 2082 N LYS B 132 12.503 -11.991 -1.746 1.00 12.50 N ATOM 2083 CA LYS B 132 11.644 -13.098 -1.708 1.00 14.23 C ATOM 2084 C LYS B 132 11.592 -13.603 -0.224 1.00 17.46 C ATOM 2085 O LYS B 132 10.599 -13.851 0.497 1.00 14.87 O ATOM 2086 CB LYS B 132 11.937 -14.147 -2.452 1.00 19.74 C ATOM 2087 CG LYS B 132 11.561 -13.879 -3.966 1.00 26.28 C ATOM 2088 CD LYS B 132 11.989 -15.031 -4.739 1.00 31.58 C ATOM 2089 CE LYS B 132 11.660 -14.274 -6.180 1.00 32.98 C ATOM 2090 NZ LYS B 132 12.119 -15.998 -6.779 1.00 37.48 N ATOM 2091 N VAL B 133 12.856 -13.702 0.483 1.00 17.22 N ATOM 2092 CA VAL B 133 13.038 -14.205 1.805 1.00 11.45 C ATOM 2093 C VAL B 133 12.401 -13.319 2.840 1.00 11.90 C ATOM 2094 O VAL B 133 11.556 -13.799 3.731 1.00 13.71 O ATOM 2095 CB VAL B 133 14.459 -14.401 2.160 1.00 16.41 C ATOM 2096 CG1 VAL B 133 14.632 -14.683 3.511 1.00 36.18 C ATOM 2097 CG2 VAL B 133 15.014 -15.541 1.250 1.00 15.51 C ATOM 2098 N VAL B 134 12.512 -11.981 2.749 1.00 13.21 N ATOM 2099 CA VAL B 134 12.091 -11.081 3.574 1.00 12.26 C ATOM 2100 C VAL B 134 10.632 -11.128 3.483 1.00 16.19 C ATOM 2101 O VAL B 134 9.763 -10.888 4.517 1.00 17.40 O ATOM 2102 CB VAL B 134 12.356 -9.643 3.780 1.00 11.96 C ATOM 2103 CG1 VAL B 134 13.841 -9.777 4.082 1.00 18.38 C ATOM 2104 CG2 VAL B 134 12.314 -8.873 2.475 1.00 14.78 C ATOM 2105 N ALA B 135 9.938 -11.113 2.262 1.00 13.32 N ATOM 2106 CA ALA B 135 8.505 -11.237 2.119 1.00 21.37 C ATOM 2107 C ALA B 135 7.942 -12.494 2.777 1.00 17.09 C ATOM 2108 O ALA B 135 6.829 -12.512 3.348 1.00 17.43 O ATOM 2109 CB ALA B 135 8.135 -10.953 0.769 1.00 28.77 C ATOM 2110 N GLY B 136 8.572 -13.635 2.636 1.00 18.26 N ATOM 2111 CA GLY B 136 8.219 -15.058 3.189 1.00 19.82 C ATOM 2112 C GLY B 136 8.146 -14.912 4.633 1.00 16.67 C ATOM 2113 O GLY B 136 7.260 -15.405 5.231 1.00 15.34 O ATOM 2114 N VAL B 137 9.300 -14.354 5.275 1.00 19.06 N ATOM 2115 CA VAL B 137 9.275 -14.229 6.676 1.00 13.40 C ATOM 2116 C VAL B 137 8.222 -13.320 7.172 1.00 14.98 C ATOM 2117 O VAL B 137 7.448 -13.726 8.127 1.00 15.32 O ATOM 2118 CB VAL B 137 10.681 -13.683 7.141 1.00 12.05 C ATOM 2119 CG1 VAL B 137 10.587 -13.517 8.589 1.00 24.37 C ATOM 2120 CG2 VAL B 137 11.663 -14.723 6.701 1.00 11.44 C ATOM 2121 N ALA B 138 7.830 -12.223 6.567 1.00 14.63 N ATOM 2122 CA ALA B 138 6.739 -11.343 6.960 1.00 14.97 C ATOM 2123 C ALA B 138 5.477 -12.035 7.025 1.00 14.00 C ATOM 2124 O ALA B 138 4.520 -11.965 7.766 1.00 15.18 O ATOM 2125 CB ALA B 138 6.733 -10.129 6.135 1.00 21.60 C ATOM 2126 N ASN B 139 5.257 -12.632 5.801 1.00 14.76 N ATOM 2127 CA ASN B 139 3.965 -13.443 5.693 1.00 19.56 C ATOM 2128 C ASN B 139 3.788 -14.741 6.508 1.00 16.64 C ATOM 2129 O ASN B 139 2.773 -14.813 7.122 1.00 15.66 O ATOM 2130 CB ASN B 139 3.915 -14.281 4.273 1.00 32.30 C ATOM 2131 CG ASN B 139 3.642 -13.817 3.893 1.00 58.46 C ATOM 2132 OD1 ASN B 139 3.350 -12.337 3.410 1.00 49.38 O ATOM 2133 ND2 ASN B 139 4.138 -13.358 1.997 1.00 59.02 N ATOM 2134 N ALA B 140 4.975 -15.279 6.996 1.00 12.53 N ATOM 2135 CA ALA B 140 4.880 -16.341 7.880 1.00 19.39 C ATOM 2136 C ALA B 140 4.686 -15.725 9.225 1.00 15.37 C ATOM 2137 O ALA B 140 3.890 -16.337 10.107 1.00 15.92 O ATOM 2138 CB ALA B 140 6.298 -17.186 7.962 1.00 22.20 C ATOM 2139 N LEU B 141 5.135 -14.663 9.697 1.00 12.47 N ATOM 2140 CA LEU B 141 4.897 -13.957 10.913 1.00 15.63 C ATOM 2141 C LEU B 141 3.480 -13.697 11.034 1.00 21.66 C ATOM 2142 O LEU B 141 2.905 -13.294 12.092 1.00 17.40 O ATOM 2143 CB LEU B 141 5.926 -12.962 11.275 1.00 15.12 C ATOM 2144 CG LEU B 141 7.158 -13.407 11.868 1.00 17.02 C ATOM 2145 CD1 LEU B 141 8.083 -12.226 12.076 1.00 19.94 C ATOM 2146 CD2 LEU B 141 7.122 -13.935 13.238 1.00 21.74 C ATOM 2147 N ALA B 142 2.836 -13.244 9.876 1.00 12.86 N ATOM 2148 CA ALA B 142 1.608 -12.628 9.849 1.00 14.61 C ATOM 2149 C ALA B 142 0.405 -13.995 9.823 1.00 20.31 C ATOM 2150 O ALA B 142 -0.813 -13.424 10.022 1.00 18.06 O ATOM 2151 CB ALA B 142 1.282 -11.676 8.702 1.00 21.40 C ATOM 2152 N HIS B 143 0.842 -15.030 9.582 1.00 17.95 N ATOM 2153 CA HIS B 143 0.024 -16.256 9.074 1.00 26.37 C ATOM 2154 C HIS B 143 -1.200 -16.456 10.329 1.00 19.76 C ATOM 2155 O HIS B 143 -2.306 -16.886 9.956 1.00 21.59 O ATOM 2156 CB HIS B 143 0.773 -17.382 8.911 1.00 35.96 C ATOM 2157 CG HIS B 143 -0.236 -18.629 8.237 1.00 57.59 C ATOM 2158 ND1 HIS B 143 0.057 -19.594 9.608 1.00 48.44 N ATOM 2159 CD2 HIS B 143 -0.841 -18.281 7.293 1.00 54.87 C ATOM 2160 CE1 HIS B 143 -0.983 -20.316 8.077 1.00 74.03 C ATOM 2161 NE2 HIS B 143 -1.640 -19.381 7.013 1.00 57.99 N ATOM 2162 N LYS B 144 -0.804 -16.302 11.559 1.00 18.69 N ATOM 2163 CA LYS B 144 -1.735 -16.737 12.588 1.00 14.86 C ATOM 2164 C LYS B 144 -2.396 -15.617 12.962 1.00 16.55 C ATOM 2165 O LYS B 144 -3.129 -15.705 14.113 1.00 18.03 O ATOM 2166 CB LYS B 144 -0.819 -17.365 13.621 1.00 17.13 C ATOM 2167 CG LYS B 144 -0.392 -18.897 13.123 1.00 20.99 C ATOM 2168 CD LYS B 144 -1.238 -19.970 13.316 1.00 34.56 C ATOM 2169 CE LYS B 144 -2.035 -21.775 13.683 1.00 62.41 C ATOM 2170 NZ LYS B 144 -0.955 -22.424 15.226 1.00 62.40 N ATOM 2171 N TYR B 145 -2.408 -14.424 12.668 1.00 19.33 N ATOM 2172 CA TYR B 145 -3.111 -13.193 12.851 1.00 25.80 C ATOM 2173 C TYR B 145 -4.833 -13.485 12.942 1.00 37.10 C ATOM 2174 O TYR B 145 -4.989 -14.273 11.858 1.00 25.59 O ATOM 2175 CB TYR B 145 -2.815 -11.990 12.502 1.00 20.19 C ATOM 2176 CG TYR B 145 -1.513 -11.202 13.062 1.00 16.11 C ATOM 2177 CD1 TYR B 145 -1.713 -10.043 13.732 1.00 13.84 C ATOM 2178 CD2 TYR B 145 -0.444 -12.052 12.964 1.00 19.35 C ATOM 2179 CE1 TYR B 145 -0.716 -9.470 14.306 1.00 14.00 C ATOM 2180 CE2 TYR B 145 0.824 -11.431 13.760 1.00 16.15 C ATOM 2181 CZ TYR B 145 0.705 -10.123 14.396 1.00 11.23 C ATOM 2182 OH TYR B 145 1.824 -9.505 14.779 1.00 11.07 O ATOM 2183 N HIS B 146 -5.455 -13.156 13.610 1.00 22.40 N ATOM 2184 CA HIS B 146 -7.082 -13.260 13.817 1.00 24.36 C ATOM 2185 C HIS B 146 -7.642 -12.243 14.547 1.00 19.29 C ATOM 2186 O HIS B 146 -6.896 -11.423 15.229 1.00 20.20 O ATOM 2187 CB HIS B 146 -7.319 -14.676 14.251 1.00 17.91 C ATOM 2188 CG HIS B 146 -7.349 -14.408 16.278 1.00 30.29 C ATOM 2189 ND1 HIS B 146 -7.504 -15.329 16.577 1.00 56.02 N ATOM 2190 CD2 HIS B 146 -5.754 -14.700 16.400 1.00 32.02 C ATOM 2191 CE1 HIS B 146 -6.763 -15.571 18.243 1.00 45.40 C ATOM 2192 NE2 HIS B 146 -6.023 -14.569 17.782 1.00 35.25 N ATOM 2193 OXT HIS B 146 -8.867 -12.118 14.478 1.00 28.98 O TER 2194 HIS B 146 ATOM 2195 N VAL C 1 -6.932 15.801 -4.736 1.00 53.78 N ATOM 2196 CA VAL C 1 -6.986 18.132 -4.726 1.00 39.83 C ATOM 2197 C VAL C 1 -8.725 18.013 -5.289 1.00 29.73 C ATOM 2198 O VAL C 1 -9.322 17.317 -6.202 1.00 31.20 O ATOM 2199 CB VAL C 1 -6.406 17.702 -5.747 1.00 52.94 C ATOM 2200 CG1 VAL C 1 -7.045 19.788 -6.149 1.00 47.73 C ATOM 2201 CG2 VAL C 1 -5.138 19.765 -5.197 1.00 67.01 C ATOM 2202 N LEU C 2 -9.481 18.489 -4.357 1.00 33.50 N ATOM 2203 CA LEU C 2 -10.829 18.318 -4.244 1.00 35.54 C ATOM 2204 C LEU C 2 -11.593 19.461 -5.392 1.00 25.83 C ATOM 2205 O LEU C 2 -11.224 20.587 -4.763 1.00 37.30 O ATOM 2206 CB LEU C 2 -11.320 18.570 -2.993 1.00 38.49 C ATOM 2207 CG LEU C 2 -11.368 17.191 -2.068 1.00 34.89 C ATOM 2208 CD1 LEU C 2 -11.559 17.406 -0.855 1.00 40.00 C ATOM 2209 CD2 LEU C 2 -11.556 16.072 -2.571 1.00 36.30 C ATOM 2210 N SER C 3 -12.051 19.126 -6.445 1.00 20.82 N ATOM 2211 CA SER C 3 -12.764 20.102 -7.265 1.00 16.99 C ATOM 2212 C SER C 3 -13.851 20.641 -6.492 1.00 19.86 C ATOM 2213 O SER C 3 -14.562 20.118 -5.605 1.00 23.30 O ATOM 2214 CB SER C 3 -12.915 19.412 -8.479 1.00 21.69 C ATOM 2215 OG SER C 3 -14.045 18.617 -8.438 1.00 24.96 O ATOM 2216 N PRO C 4 -14.614 21.747 -7.040 1.00 27.73 N ATOM 2217 CA PRO C 4 -15.686 22.248 -6.606 1.00 18.30 C ATOM 2218 C PRO C 4 -16.940 21.185 -6.683 1.00 21.79 C ATOM 2219 O PRO C 4 -17.669 21.118 -5.776 1.00 30.78 O ATOM 2220 CB PRO C 4 -16.024 23.555 -7.534 1.00 35.17 C ATOM 2221 CG PRO C 4 -14.548 23.940 -7.997 1.00 39.10 C ATOM 2222 CD PRO C 4 -13.753 22.599 -7.931 1.00 33.69 C ATOM 2223 N ALA C 5 -16.700 20.569 -7.707 1.00 20.53 N ATOM 2224 CA ALA C 5 -17.694 19.448 -7.877 1.00 15.17 C ATOM 2225 C ALA C 5 -17.668 18.427 -6.566 1.00 17.36 C ATOM 2226 O ALA C 5 -18.567 17.818 -6.161 1.00 18.86 O ATOM 2227 CB ALA C 5 -17.845 18.678 -9.144 1.00 14.70 C ATOM 2228 N ASP C 6 -16.408 17.997 -6.530 1.00 17.28 N ATOM 2229 CA ASP C 6 -16.090 17.056 -5.440 1.00 13.65 C ATOM 2230 C ASP C 6 -16.737 17.558 -4.126 1.00 16.19 C ATOM 2231 O ASP C 6 -17.234 16.746 -3.292 1.00 18.77 O ATOM 2232 CB ASP C 6 -14.589 16.808 -5.234 1.00 14.90 C ATOM 2233 CG ASP C 6 -14.039 15.955 -6.391 1.00 15.46 C ATOM 2234 OD1 ASP C 6 -14.772 14.926 -6.958 1.00 20.59 O ATOM 2235 OD2 ASP C 6 -12.866 16.168 -6.605 1.00 19.80 O ATOM 2236 N LYS C 7 -16.400 18.816 -3.902 1.00 17.95 N ATOM 2237 CA LYS C 7 -17.103 19.561 -2.483 1.00 25.53 C ATOM 2238 C LYS C 7 -18.248 19.426 -2.208 1.00 19.12 C ATOM 2239 O LYS C 7 -18.931 19.046 -1.371 1.00 19.71 O ATOM 2240 CB LYS C 7 -16.318 20.793 -2.391 1.00 27.50 C ATOM 2241 CG LYS C 7 -14.901 20.741 -2.614 1.00 53.71 C ATOM 2242 CD LYS C 7 -13.993 22.186 -1.677 1.00 60.72 C ATOM 2243 CE LYS C 7 -13.186 22.490 -2.528 1.00 63.74 C ATOM 2244 NZ LYS C 7 -12.305 23.225 -2.858 1.00 80.12 N ATOM 2245 N THR C 8 -18.940 19.776 -3.501 1.00 18.59 N ATOM 2246 CA THR C 8 -20.439 19.567 -3.523 1.00 17.68 C ATOM 2247 C THR C 8 -21.010 18.410 -3.219 1.00 15.92 C ATOM 2248 O THR C 8 -21.956 18.189 -2.497 1.00 18.11 O ATOM 2249 CB THR C 8 -21.005 20.281 -5.121 1.00 18.41 C ATOM 2250 OG1 THR C 8 -20.596 21.570 -4.936 1.00 22.00 O ATOM 2251 CG2 THR C 8 -22.332 20.382 -5.020 1.00 19.72 C ATOM 2252 N ASN C 9 -20.389 17.337 -3.881 1.00 14.52 N ATOM 2253 CA ASN C 9 -20.679 15.854 -3.720 1.00 11.76 C ATOM 2254 C ASN C 9 -20.524 15.368 -2.372 1.00 13.43 C ATOM 2255 O ASN C 9 -21.452 14.760 -1.788 1.00 14.77 O ATOM 2256 CB ASN C 9 -19.952 14.978 -4.802 1.00 15.52 C ATOM 2257 CG ASN C 9 -20.502 14.902 -6.224 1.00 21.23 C ATOM 2258 OD1 ASN C 9 -21.551 15.460 -6.366 1.00 17.78 O ATOM 2259 ND2 ASN C 9 -19.655 14.764 -7.036 1.00 16.93 N ATOM 2260 N VAL C 10 -19.456 15.819 -1.845 1.00 15.37 N ATOM 2261 CA VAL C 10 -19.214 15.430 -0.511 1.00 15.09 C ATOM 2262 C VAL C 10 -20.248 16.151 0.791 1.00 19.82 C ATOM 2263 O VAL C 10 -20.653 15.344 1.499 1.00 21.55 O ATOM 2264 CB VAL C 10 -17.776 15.740 -0.056 1.00 23.83 C ATOM 2265 CG1 VAL C 10 -17.369 15.319 1.491 1.00 26.38 C ATOM 2266 CG2 VAL C 10 -16.835 14.843 -0.837 1.00 22.96 C ATOM 2267 N LYS C 11 -20.423 17.395 0.515 1.00 19.06 N ATOM 2268 CA LYS C 11 -21.545 18.040 1.267 1.00 21.27 C ATOM 2269 C LYS C 11 -22.705 17.621 1.194 1.00 24.36 C ATOM 2270 O LYS C 11 -23.497 17.219 2.050 1.00 26.88 O ATOM 2271 CB LYS C 11 -21.200 19.455 1.180 1.00 24.11 C ATOM 2272 CG LYS C 11 -19.982 20.187 1.471 1.00 39.96 C ATOM 2273 CD LYS C 11 -20.184 21.708 1.326 1.00 36.60 C ATOM 2274 CE LYS C 11 -19.119 22.424 1.599 1.00 40.99 C ATOM 2275 NZ LYS C 11 -18.303 23.379 0.156 1.00 57.68 N ATOM 2276 N ALA C 12 -23.071 17.255 -0.098 1.00 26.89 N ATOM 2277 CA ALA C 12 -24.190 16.574 -0.166 1.00 22.80 C ATOM 2278 C ALA C 12 -24.709 15.466 0.479 1.00 22.96 C ATOM 2279 O ALA C 12 -25.641 14.894 1.303 1.00 25.17 O ATOM 2280 CB ALA C 12 -24.758 16.354 -1.436 1.00 30.68 C ATOM 2281 N ALA C 13 -23.698 14.326 0.213 1.00 19.81 N ATOM 2282 CA ALA C 13 -23.581 12.980 0.775 1.00 20.52 C ATOM 2283 C ALA C 13 -23.620 13.074 2.219 1.00 17.10 C ATOM 2284 O ALA C 13 -24.459 12.346 2.958 1.00 22.70 O ATOM 2285 CB ALA C 13 -22.559 12.176 0.137 1.00 20.00 C ATOM 2286 N TRP C 14 -22.646 13.784 2.878 1.00 18.93 N ATOM 2287 CA TRP C 14 -22.430 13.732 4.346 1.00 19.61 C ATOM 2288 C TRP C 14 -23.567 14.473 4.894 1.00 29.50 C ATOM 2289 O TRP C 14 -24.277 14.100 6.022 1.00 22.89 O ATOM 2290 CB TRP C 14 -21.334 14.670 4.695 1.00 20.94 C ATOM 2291 CG TRP C 14 -20.803 14.092 5.924 1.00 20.44 C ATOM 2292 CD1 TRP C 14 -21.097 15.028 7.151 1.00 25.06 C ATOM 2293 CD2 TRP C 14 -20.135 12.848 6.216 1.00 19.23 C ATOM 2294 NE1 TRP C 14 -20.337 14.117 8.027 1.00 26.03 N ATOM 2295 CE2 TRP C 14 -19.941 12.969 7.773 1.00 27.20 C ATOM 2296 CE3 TRP C 14 -19.861 11.878 5.555 1.00 24.26 C ATOM 2297 CZ2 TRP C 14 -19.510 11.822 8.284 1.00 29.42 C ATOM 2298 CZ3 TRP C 14 -19.277 10.605 6.015 1.00 27.47 C ATOM 2299 CH2 TRP C 14 -19.230 10.798 7.728 1.00 31.11 C ATOM 2300 N GLY C 15 -24.359 15.298 4.516 1.00 39.26 N ATOM 2301 CA GLY C 15 -25.631 16.086 4.525 1.00 27.60 C ATOM 2302 C GLY C 15 -26.650 15.043 4.748 1.00 35.88 C ATOM 2303 O GLY C 15 -27.292 14.929 6.180 1.00 44.35 O ATOM 2304 N LYS C 16 -26.927 14.192 4.125 1.00 34.61 N ATOM 2305 CA LYS C 16 -27.870 13.141 3.632 1.00 36.98 C ATOM 2306 C LYS C 16 -27.538 12.020 5.023 1.00 26.09 C ATOM 2307 O LYS C 16 -28.345 11.313 5.635 1.00 33.01 O ATOM 2308 CB LYS C 16 -28.251 12.406 2.440 1.00 27.30 C ATOM 2309 CG LYS C 16 -30.036 12.836 1.831 1.00 50.84 C ATOM 2310 CD LYS C 16 -30.158 11.081 2.262 1.00 68.28 C ATOM 2311 CE LYS C 16 -32.371 10.866 2.370 1.00 73.16 C ATOM 2312 NZ LYS C 16 -32.038 9.453 3.272 1.00 69.52 N ATOM 2313 N VAL C 17 -26.252 12.133 5.573 1.00 35.88 N ATOM 2314 CA VAL C 17 -25.770 11.297 6.645 1.00 27.62 C ATOM 2315 C VAL C 17 -26.612 11.695 7.685 1.00 30.67 C ATOM 2316 O VAL C 17 -27.281 11.042 8.701 1.00 29.27 O ATOM 2317 CB VAL C 17 -24.169 10.853 6.795 1.00 24.84 C ATOM 2318 CG1 VAL C 17 -23.946 10.589 8.064 1.00 24.66 C ATOM 2319 CG2 VAL C 17 -23.794 9.916 5.483 1.00 36.95 C ATOM 2320 N GLY C 18 -26.104 13.085 7.958 1.00 37.42 N ATOM 2321 CA GLY C 18 -26.962 13.614 9.161 1.00 36.79 C ATOM 2322 C GLY C 18 -26.609 13.344 10.447 1.00 35.54 C ATOM 2323 O GLY C 18 -25.379 12.833 10.941 1.00 34.05 O ATOM 2324 N ALA C 19 -27.875 13.044 10.943 1.00 30.07 N ATOM 2325 CA ALA C 19 -27.686 12.652 12.207 1.00 42.34 C ATOM 2326 C ALA C 19 -27.441 11.246 12.497 1.00 38.75 C ATOM 2327 O ALA C 19 -27.016 10.579 13.697 1.00 34.11 O ATOM 2328 CB ALA C 19 -28.889 12.929 12.875 1.00 49.98 C ATOM 2329 N HIS C 20 -27.337 10.243 11.555 1.00 27.23 N ATOM 2330 CA HIS C 20 -26.912 8.767 11.705 1.00 31.96 C ATOM 2331 C HIS C 20 -25.296 8.716 11.689 1.00 24.34 C ATOM 2332 O HIS C 20 -24.833 7.499 11.716 1.00 23.07 O ATOM 2333 CB HIS C 20 -27.281 8.149 10.528 1.00 47.99 C ATOM 2334 CG HIS C 20 -28.926 8.104 10.076 1.00 49.70 C ATOM 2335 ND1 HIS C 20 -29.432 7.280 11.405 1.00 46.00 N ATOM 2336 CD2 HIS C 20 -29.730 9.020 9.630 1.00 46.72 C ATOM 2337 CE1 HIS C 20 -31.098 7.852 11.111 1.00 49.28 C ATOM 2338 NE2 HIS C 20 -30.830 8.671 9.800 1.00 51.94 N ATOM 2339 N ALA C 21 -24.619 9.813 11.399 1.00 28.71 N ATOM 2340 CA ALA C 21 -23.098 9.802 11.331 1.00 32.59 C ATOM 2341 C ALA C 21 -22.391 9.015 12.473 1.00 33.22 C ATOM 2342 O ALA C 21 -21.700 8.030 11.964 1.00 25.05 O ATOM 2343 CB ALA C 21 -22.805 11.312 11.238 1.00 28.99 C ATOM 2344 N GLY C 22 -22.670 8.973 13.605 1.00 30.50 N ATOM 2345 CA GLY C 22 -22.269 8.117 14.625 1.00 25.20 C ATOM 2346 C GLY C 22 -22.605 6.970 14.498 1.00 28.87 C ATOM 2347 O GLY C 22 -21.738 5.901 14.583 1.00 21.09 O ATOM 2348 N GLU C 23 -23.752 6.203 14.168 1.00 19.95 N ATOM 2349 CA GLU C 23 -24.151 4.976 13.969 1.00 21.38 C ATOM 2350 C GLU C 23 -23.181 4.329 12.723 1.00 15.02 C ATOM 2351 O GLU C 23 -22.815 3.097 12.742 1.00 16.54 O ATOM 2352 CB GLU C 23 -25.689 4.819 13.452 1.00 29.82 C ATOM 2353 CG GLU C 23 -26.106 3.452 13.736 1.00 36.93 C ATOM 2354 CD GLU C 23 -28.202 3.924 13.602 1.00 80.12 C ATOM 2355 OE1 GLU C 23 -27.795 2.922 11.489 1.00 66.02 O ATOM 2356 OE2 GLU C 23 -27.964 4.694 13.267 1.00 59.79 O ATOM 2357 N TYR C 24 -23.207 5.173 11.697 1.00 21.28 N ATOM 2358 CA TYR C 24 -22.418 4.812 10.585 1.00 19.46 C ATOM 2359 C TYR C 24 -20.849 4.466 10.860 1.00 15.33 C ATOM 2360 O TYR C 24 -20.148 3.754 10.360 1.00 13.77 O ATOM 2361 CB TYR C 24 -22.651 5.606 9.406 1.00 16.14 C ATOM 2362 CG TYR C 24 -24.080 5.727 8.793 1.00 13.71 C ATOM 2363 CD1 TYR C 24 -24.170 6.732 7.640 1.00 24.76 C ATOM 2364 CD2 TYR C 24 -25.002 4.824 9.337 1.00 21.84 C ATOM 2365 CE1 TYR C 24 -25.645 6.832 7.377 1.00 25.66 C ATOM 2366 CE2 TYR C 24 -26.453 4.934 8.784 1.00 17.49 C ATOM 2367 CZ TYR C 24 -26.325 5.877 7.791 1.00 27.32 C ATOM 2368 OH TYR C 24 -27.810 6.069 7.401 1.00 31.23 O ATOM 2369 N GLY C 25 -20.290 5.421 11.638 1.00 18.29 N ATOM 2370 CA GLY C 25 -19.027 5.388 12.069 1.00 15.33 C ATOM 2371 C GLY C 25 -18.807 4.272 12.918 1.00 12.64 C ATOM 2372 O GLY C 25 -17.733 3.304 12.661 1.00 15.23 O ATOM 2373 N ALA C 26 -19.542 3.599 13.820 1.00 16.00 N ATOM 2374 CA ALA C 26 -19.471 2.386 14.471 1.00 11.42 C ATOM 2375 C ALA C 26 -19.307 1.193 13.564 1.00 10.94 C ATOM 2376 O ALA C 26 -18.739 0.230 13.578 1.00 13.65 O ATOM 2377 CB ALA C 26 -20.512 2.232 15.656 1.00 11.99 C ATOM 2378 N GLU C 27 -20.425 1.260 12.521 1.00 12.87 N ATOM 2379 CA GLU C 27 -20.638 0.028 11.636 1.00 15.51 C ATOM 2380 C GLU C 27 -19.412 0.022 10.785 1.00 12.84 C ATOM 2381 O GLU C 27 -18.849 -1.119 10.534 1.00 15.95 O ATOM 2382 CB GLU C 27 -21.715 0.427 10.623 1.00 15.50 C ATOM 2383 CG GLU C 27 -21.926 -0.710 9.772 1.00 17.08 C ATOM 2384 CD GLU C 27 -23.164 -0.586 8.872 1.00 30.48 C ATOM 2385 OE1 GLU C 27 -23.095 -0.770 7.588 1.00 18.71 O ATOM 2386 OE2 GLU C 27 -24.194 0.119 9.312 1.00 24.16 O ATOM 2387 N ALA C 28 -18.789 1.258 10.332 1.00 11.36 N ATOM 2388 CA ALA C 28 -17.460 1.158 9.500 1.00 9.58 C ATOM 2389 C ALA C 28 -16.340 0.418 10.332 1.00 9.29 C ATOM 2390 O ALA C 28 -15.677 -0.370 9.760 1.00 12.64 O ATOM 2391 CB ALA C 28 -17.171 2.523 9.159 1.00 13.35 C ATOM 2392 N LEU C 29 -16.325 0.834 11.666 1.00 12.01 N ATOM 2393 CA LEU C 29 -15.240 0.036 12.460 1.00 9.42 C ATOM 2394 C LEU C 29 -15.351 -1.296 12.531 1.00 8.04 C ATOM 2395 O LEU C 29 -14.557 -2.221 12.462 1.00 11.27 O ATOM 2396 CB LEU C 29 -15.253 0.792 13.944 1.00 13.39 C ATOM 2397 CG LEU C 29 -14.671 2.120 14.000 1.00 14.28 C ATOM 2398 CD1 LEU C 29 -15.060 2.641 15.229 1.00 21.17 C ATOM 2399 CD2 LEU C 29 -13.328 2.186 13.586 1.00 17.52 C ATOM 2400 N GLU C 30 -16.582 -1.891 12.768 1.00 12.13 N ATOM 2401 CA GLU C 30 -17.039 -3.158 12.830 1.00 15.15 C ATOM 2402 C GLU C 30 -16.575 -3.834 11.597 1.00 15.74 C ATOM 2403 O GLU C 30 -16.144 -4.973 11.643 1.00 15.15 O ATOM 2404 CB GLU C 30 -18.512 -3.390 13.241 1.00 16.95 C ATOM 2405 CG GLU C 30 -18.749 -4.796 13.397 1.00 22.01 C ATOM 2406 CD GLU C 30 -20.492 -5.310 14.125 1.00 33.25 C ATOM 2407 OE1 GLU C 30 -20.859 -4.170 14.215 1.00 33.78 O ATOM 2408 OE2 GLU C 30 -20.298 -6.063 14.309 1.00 40.59 O ATOM 2409 N ARG C 31 -17.016 -3.172 10.500 1.00 9.68 N ATOM 2410 CA ARG C 31 -16.706 -3.791 9.173 1.00 8.70 C ATOM 2411 C ARG C 31 -15.092 -4.029 9.070 1.00 13.62 C ATOM 2412 O ARG C 31 -14.706 -5.080 8.618 1.00 13.67 O ATOM 2413 CB ARG C 31 -17.211 -2.898 8.144 1.00 12.42 C ATOM 2414 CG ARG C 31 -18.743 -3.121 7.942 1.00 11.84 C ATOM 2415 CD ARG C 31 -19.136 -2.201 6.911 1.00 15.20 C ATOM 2416 NE ARG C 31 -20.701 -2.256 6.631 1.00 14.19 N ATOM 2417 CZ ARG C 31 -21.363 -3.224 5.977 1.00 11.42 C ATOM 2418 NH1 ARG C 31 -20.645 -4.259 5.462 1.00 11.92 N ATOM 2419 NH2 ARG C 31 -22.607 -3.167 6.110 1.00 15.15 N ATOM 2420 N MET C 32 -14.391 -2.999 9.390 1.00 10.57 N ATOM 2421 CA MET C 32 -12.880 -2.985 9.431 1.00 8.16 C ATOM 2422 C MET C 32 -12.304 -4.106 10.303 1.00 7.80 C ATOM 2423 O MET C 32 -11.482 -4.880 9.804 1.00 11.64 O ATOM 2424 CB MET C 32 -12.387 -1.587 9.793 1.00 8.09 C ATOM 2425 CG MET C 32 -10.949 -1.623 9.744 1.00 11.10 C ATOM 2426 SD MET C 32 -10.226 -0.081 10.328 1.00 18.02 S ATOM 2427 CE MET C 32 -10.638 -0.209 12.043 1.00 20.04 C ATOM 2428 N PHE C 33 -12.802 -4.206 11.603 1.00 13.50 N ATOM 2429 CA PHE C 33 -12.271 -5.320 12.432 1.00 12.85 C ATOM 2430 C PHE C 33 -12.547 -6.578 11.951 1.00 15.05 C ATOM 2431 O PHE C 33 -11.717 -7.551 12.143 1.00 13.38 O ATOM 2432 CB PHE C 33 -12.756 -5.046 13.817 1.00 12.45 C ATOM 2433 CG PHE C 33 -12.568 -3.710 14.467 1.00 10.81 C ATOM 2434 CD1 PHE C 33 -11.266 -3.320 14.428 1.00 14.60 C ATOM 2435 CD2 PHE C 33 -13.526 -3.151 15.305 1.00 15.15 C ATOM 2436 CE1 PHE C 33 -10.894 -2.155 15.062 1.00 15.80 C ATOM 2437 CE2 PHE C 33 -13.010 -1.947 15.768 1.00 13.43 C ATOM 2438 CZ PHE C 33 -11.786 -1.494 15.661 1.00 22.23 C ATOM 2439 N LEU C 34 -13.672 -6.909 11.292 1.00 11.85 N ATOM 2440 CA LEU C 34 -14.025 -8.262 10.744 1.00 12.31 C ATOM 2441 C LEU C 34 -13.308 -8.546 9.433 1.00 15.72 C ATOM 2442 O LEU C 34 -12.814 -9.634 9.197 1.00 19.67 O ATOM 2443 CB LEU C 34 -15.490 -8.519 10.506 1.00 16.89 C ATOM 2444 CG LEU C 34 -16.308 -8.523 11.809 1.00 26.21 C ATOM 2445 CD1 LEU C 34 -17.801 -8.703 11.585 1.00 26.59 C ATOM 2446 CD2 LEU C 34 -15.886 -9.544 12.837 1.00 38.34 C ATOM 2447 N SER C 35 -13.287 -7.520 8.527 1.00 12.82 N ATOM 2448 CA SER C 35 -12.594 -7.794 7.329 1.00 10.93 C ATOM 2449 C SER C 35 -11.162 -7.828 7.166 1.00 14.27 C ATOM 2450 O SER C 35 -10.505 -8.327 6.376 1.00 16.71 O ATOM 2451 CB SER C 35 -13.015 -6.732 6.237 1.00 13.98 C ATOM 2452 OG SER C 35 -14.406 -6.851 5.967 1.00 18.75 O ATOM 2453 N PHE C 36 -10.441 -6.974 8.104 1.00 11.09 N ATOM 2454 CA PHE C 36 -9.024 -6.696 8.153 1.00 10.70 C ATOM 2455 C PHE C 36 -8.606 -6.742 9.707 1.00 13.97 C ATOM 2456 O PHE C 36 -8.344 -5.778 10.402 1.00 16.32 O ATOM 2457 CB PHE C 36 -8.759 -5.327 7.682 1.00 12.71 C ATOM 2458 CG PHE C 36 -9.244 -5.034 6.227 1.00 14.13 C ATOM 2459 CD1 PHE C 36 -10.405 -4.227 6.071 1.00 14.98 C ATOM 2460 CD2 PHE C 36 -8.716 -5.826 5.029 1.00 21.47 C ATOM 2461 CE1 PHE C 36 -10.962 -3.950 4.805 1.00 23.41 C ATOM 2462 CE2 PHE C 36 -9.304 -5.498 3.966 1.00 24.62 C ATOM 2463 CZ PHE C 36 -10.428 -4.612 3.839 1.00 15.55 C ATOM 2464 N PRO C 37 -8.487 -8.050 9.947 1.00 18.65 N ATOM 2465 CA PRO C 37 -8.320 -8.334 11.359 1.00 17.35 C ATOM 2466 C PRO C 37 -6.962 -7.708 12.012 1.00 18.35 C ATOM 2467 O PRO C 37 -6.854 -7.465 13.248 1.00 14.04 O ATOM 2468 CB PRO C 37 -8.349 -9.870 11.562 1.00 27.87 C ATOM 2469 CG PRO C 37 -8.429 -10.372 10.373 1.00 37.42 C ATOM 2470 CD PRO C 37 -8.767 -9.192 9.450 1.00 22.48 C ATOM 2471 N THR C 38 -6.066 -7.410 11.173 1.00 12.63 N ATOM 2472 CA THR C 38 -4.834 -6.636 11.753 1.00 17.25 C ATOM 2473 C THR C 38 -5.049 -5.478 12.414 1.00 15.32 C ATOM 2474 O THR C 38 -4.264 -5.001 13.219 1.00 11.09 O ATOM 2475 CB THR C 38 -3.639 -7.011 10.452 1.00 12.40 C ATOM 2476 OG1 THR C 38 -4.178 -5.757 9.596 1.00 15.33 O ATOM 2477 CG2 THR C 38 -4.507 -7.126 9.385 1.00 80.12 C ATOM 2478 N THR C 39 -6.072 -4.797 11.866 1.00 10.35 N ATOM 2479 CA THR C 39 -6.458 -3.530 12.499 1.00 11.60 C ATOM 2480 C THR C 39 -6.867 -3.675 13.987 1.00 11.25 C ATOM 2481 O THR C 39 -6.719 -2.683 14.751 1.00 15.31 O ATOM 2482 CB THR C 39 -7.618 -2.839 11.782 1.00 10.41 C ATOM 2483 OG1 THR C 39 -8.902 -3.535 11.780 1.00 8.43 O ATOM 2484 CG2 THR C 39 -7.110 -2.694 10.278 1.00 7.27 C ATOM 2485 N LYS C 40 -7.142 -4.800 14.416 1.00 12.10 N ATOM 2486 CA LYS C 40 -7.571 -4.948 15.946 1.00 12.37 C ATOM 2487 C LYS C 40 -6.340 -4.815 16.822 1.00 12.69 C ATOM 2488 O LYS C 40 -6.554 -4.646 17.995 1.00 13.50 O ATOM 2489 CB LYS C 40 -8.135 -6.441 16.142 1.00 13.01 C ATOM 2490 CG LYS C 40 -9.508 -6.644 15.446 1.00 16.35 C ATOM 2491 CD LYS C 40 -9.585 -8.284 15.551 1.00 21.60 C ATOM 2492 CE LYS C 40 -10.395 -8.518 15.432 1.00 41.58 C ATOM 2493 NZ LYS C 40 -10.104 -10.161 15.709 1.00 24.62 N ATOM 2494 N THR C 41 -5.213 -4.883 16.231 1.00 15.39 N ATOM 2495 CA THR C 41 -3.858 -4.878 17.048 1.00 15.24 C ATOM 2496 C THR C 41 -3.895 -3.538 17.513 1.00 24.53 C ATOM 2497 O THR C 41 -3.052 -3.276 18.625 1.00 20.94 O ATOM 2498 CB THR C 41 -2.611 -5.058 16.204 1.00 10.27 C ATOM 2499 OG1 THR C 41 -2.473 -4.084 15.265 1.00 10.56 O ATOM 2500 CG2 THR C 41 -2.649 -6.370 15.637 1.00 13.16 C ATOM 2501 N TYR C 42 -4.559 -2.347 17.313 1.00 15.74 N ATOM 2502 CA TYR C 42 -4.420 -1.045 17.757 1.00 10.60 C ATOM 2503 C TYR C 42 -5.479 -0.829 18.921 1.00 12.75 C ATOM 2504 O TYR C 42 -5.553 0.201 19.530 1.00 15.68 O ATOM 2505 CB TYR C 42 -4.800 0.068 16.774 1.00 16.68 C ATOM 2506 CG TYR C 42 -3.607 -0.087 15.746 1.00 10.99 C ATOM 2507 CD1 TYR C 42 -2.328 0.661 16.011 1.00 17.16 C ATOM 2508 CD2 TYR C 42 -3.699 -0.743 14.478 1.00 12.51 C ATOM 2509 CE1 TYR C 42 -1.337 0.521 15.154 1.00 15.83 C ATOM 2510 CE2 TYR C 42 -2.696 -0.758 13.617 1.00 12.91 C ATOM 2511 CZ TYR C 42 -1.386 -0.114 13.943 1.00 12.97 C ATOM 2512 OH TYR C 42 -0.401 -0.078 12.976 1.00 13.25 O ATOM 2513 N PHE C 43 -6.271 -1.850 19.113 1.00 15.49 N ATOM 2514 CA PHE C 43 -7.459 -1.760 20.167 1.00 17.75 C ATOM 2515 C PHE C 43 -7.514 -3.016 21.053 1.00 20.04 C ATOM 2516 O PHE C 43 -8.605 -3.535 21.334 1.00 17.05 O ATOM 2517 CB PHE C 43 -8.817 -1.519 19.333 1.00 26.70 C ATOM 2518 CG PHE C 43 -8.906 -0.392 18.437 1.00 14.42 C ATOM 2519 CD1 PHE C 43 -8.473 -0.554 17.054 1.00 15.73 C ATOM 2520 CD2 PHE C 43 -9.700 0.777 18.998 1.00 15.90 C ATOM 2521 CE1 PHE C 43 -8.663 0.579 16.317 1.00 16.99 C ATOM 2522 CE2 PHE C 43 -9.585 1.781 18.059 1.00 19.76 C ATOM 2523 CZ PHE C 43 -9.193 1.883 16.726 1.00 10.96 C ATOM 2524 N PRO C 44 -6.303 -3.266 21.758 1.00 17.51 N ATOM 2525 CA PRO C 44 -6.430 -4.575 22.577 1.00 22.01 C ATOM 2526 C PRO C 44 -7.021 -4.034 23.952 1.00 23.34 C ATOM 2527 O PRO C 44 -7.479 -5.004 24.549 1.00 23.67 O ATOM 2528 CB PRO C 44 -4.725 -4.600 22.823 1.00 28.76 C ATOM 2529 CG PRO C 44 -4.302 -3.265 22.722 1.00 30.00 C ATOM 2530 CD PRO C 44 -5.000 -2.496 21.564 1.00 18.17 C ATOM 2531 N HIS C 45 -7.313 -2.986 24.170 1.00 23.82 N ATOM 2532 CA HIS C 45 -8.129 -2.454 25.363 1.00 24.33 C ATOM 2533 C HIS C 45 -9.774 -2.425 25.223 1.00 36.67 C ATOM 2534 O HIS C 45 -10.201 -1.856 26.159 1.00 32.61 O ATOM 2535 CB HIS C 45 -7.724 -1.122 25.714 1.00 29.73 C ATOM 2536 CG HIS C 45 -7.512 0.207 24.830 1.00 29.43 C ATOM 2537 ND1 HIS C 45 -6.904 -0.240 23.536 1.00 26.84 N ATOM 2538 CD2 HIS C 45 -8.212 1.313 24.765 1.00 33.54 C ATOM 2539 CE1 HIS C 45 -7.241 0.770 23.119 1.00 37.75 C ATOM 2540 NE2 HIS C 45 -7.901 1.880 23.651 1.00 39.11 N ATOM 2541 N PHE C 46 -10.097 -2.588 23.981 1.00 19.71 N ATOM 2542 CA PHE C 46 -11.427 -2.447 23.784 1.00 16.71 C ATOM 2543 C PHE C 46 -11.984 -3.704 23.878 1.00 21.27 C ATOM 2544 O PHE C 46 -11.601 -4.890 23.408 1.00 23.84 O ATOM 2545 CB PHE C 46 -11.721 -1.909 22.223 1.00 21.57 C ATOM 2546 CG PHE C 46 -11.812 -0.571 22.355 1.00 17.89 C ATOM 2547 CD1 PHE C 46 -12.584 0.134 21.407 1.00 29.22 C ATOM 2548 CD2 PHE C 46 -11.092 0.466 22.932 1.00 29.35 C ATOM 2549 CE1 PHE C 46 -12.539 1.579 21.231 1.00 23.51 C ATOM 2550 CE2 PHE C 46 -11.283 1.342 22.737 1.00 34.19 C ATOM 2551 CZ PHE C 46 -11.794 2.381 21.680 1.00 30.38 C ATOM 2552 N ASP C 47 -13.484 -3.924 24.123 1.00 21.22 N ATOM 2553 CA ASP C 47 -14.200 -5.093 23.710 1.00 21.17 C ATOM 2554 C ASP C 47 -14.972 -4.945 22.231 1.00 15.44 C ATOM 2555 O ASP C 47 -15.394 -3.747 22.085 1.00 19.22 O ATOM 2556 CB ASP C 47 -15.564 -4.912 24.743 1.00 26.87 C ATOM 2557 CG ASP C 47 -16.291 -6.456 24.524 1.00 44.60 C ATOM 2558 OD1 ASP C 47 -16.314 -6.539 23.491 1.00 38.14 O ATOM 2559 OD2 ASP C 47 -17.247 -6.397 25.386 1.00 35.16 O ATOM 2560 N LEU C 48 -14.283 -5.744 21.445 1.00 20.23 N ATOM 2561 CA LEU C 48 -14.738 -5.455 19.945 1.00 22.13 C ATOM 2562 C LEU C 48 -15.716 -6.250 19.550 1.00 26.79 C ATOM 2563 O LEU C 48 -16.269 -6.380 18.272 1.00 28.79 O ATOM 2564 CB LEU C 48 -13.468 -5.863 19.207 1.00 20.10 C ATOM 2565 CG LEU C 48 -12.283 -5.143 19.138 1.00 22.13 C ATOM 2566 CD1 LEU C 48 -10.976 -5.443 18.455 1.00 30.66 C ATOM 2567 CD2 LEU C 48 -12.440 -3.412 19.024 1.00 21.27 C ATOM 2568 N SER C 49 -16.750 -6.795 20.348 1.00 29.67 N ATOM 2569 CA SER C 49 -17.996 -7.682 20.348 1.00 26.45 C ATOM 2570 C SER C 49 -18.688 -6.784 19.661 1.00 19.97 C ATOM 2571 O SER C 49 -18.950 -5.536 19.662 1.00 20.96 O ATOM 2572 CB SER C 49 -18.391 -8.577 21.574 1.00 26.72 C ATOM 2573 OG SER C 49 -18.238 -7.994 22.499 1.00 34.29 O ATOM 2574 N HIS C 50 -19.776 -7.581 18.833 1.00 28.23 N ATOM 2575 CA HIS C 50 -20.784 -6.859 18.155 1.00 26.06 C ATOM 2576 C HIS C 50 -21.742 -6.003 19.283 1.00 24.81 C ATOM 2577 O HIS C 50 -21.976 -6.730 20.143 1.00 27.33 O ATOM 2578 CB HIS C 50 -21.772 -7.860 17.171 1.00 33.58 C ATOM 2579 CG HIS C 50 -22.495 -6.997 16.501 1.00 21.75 C ATOM 2580 ND1 HIS C 50 -24.098 -7.224 16.903 1.00 37.61 N ATOM 2581 CD2 HIS C 50 -22.721 -6.030 15.749 1.00 24.11 C ATOM 2582 CE1 HIS C 50 -24.713 -6.289 16.301 1.00 35.12 C ATOM 2583 NE2 HIS C 50 -23.972 -5.305 15.362 1.00 42.35 N ATOM 2584 N GLY C 51 -21.911 -4.827 19.019 1.00 24.42 N ATOM 2585 CA GLY C 51 -22.633 -4.098 19.831 1.00 26.56 C ATOM 2586 C GLY C 51 -22.082 -3.387 20.930 1.00 23.39 C ATOM 2587 O GLY C 51 -22.536 -2.501 21.731 1.00 25.53 O ATOM 2588 N SER C 52 -20.724 -3.498 20.885 1.00 22.06 N ATOM 2589 CA SER C 52 -19.739 -2.846 21.982 1.00 25.03 C ATOM 2590 C SER C 52 -19.903 -1.593 22.193 1.00 31.37 C ATOM 2591 O SER C 52 -19.945 -0.663 21.200 1.00 22.94 O ATOM 2592 CB SER C 52 -18.376 -3.162 21.704 1.00 30.26 C ATOM 2593 OG SER C 52 -17.567 -2.497 22.631 1.00 21.66 O ATOM 2594 N ALA C 53 -20.311 -0.885 23.302 1.00 22.15 N ATOM 2595 CA ALA C 53 -20.223 0.561 23.639 1.00 29.32 C ATOM 2596 C ALA C 53 -19.008 1.341 23.195 1.00 23.50 C ATOM 2597 O ALA C 53 -19.144 2.489 22.964 1.00 19.56 O ATOM 2598 CB ALA C 53 -21.016 0.770 24.778 1.00 46.37 C ATOM 2599 N GLN C 54 -18.075 0.456 23.565 1.00 20.69 N ATOM 2600 CA GLN C 54 -16.671 1.124 23.388 1.00 22.13 C ATOM 2601 C GLN C 54 -16.498 1.625 21.724 1.00 21.00 C ATOM 2602 O GLN C 54 -15.986 2.677 21.452 1.00 19.66 O ATOM 2603 CB GLN C 54 -15.533 0.388 23.780 1.00 23.01 C ATOM 2604 CG GLN C 54 -15.387 0.264 25.146 1.00 26.98 C ATOM 2605 CD GLN C 54 -14.244 -0.704 25.751 1.00 17.64 C ATOM 2606 OE1 GLN C 54 -14.213 -1.867 25.317 1.00 23.97 O ATOM 2607 NE2 GLN C 54 -13.269 -0.029 26.343 1.00 35.16 N ATOM 2608 N VAL C 55 -16.998 0.495 20.976 1.00 18.58 N ATOM 2609 CA VAL C 55 -16.782 0.728 19.397 1.00 18.23 C ATOM 2610 C VAL C 55 -17.788 1.835 19.121 1.00 15.73 C ATOM 2611 O VAL C 55 -17.557 2.638 18.250 1.00 16.15 O ATOM 2612 CB VAL C 55 -17.023 -0.655 18.769 1.00 16.13 C ATOM 2613 CG1 VAL C 55 -17.141 -0.282 17.289 1.00 22.56 C ATOM 2614 CG2 VAL C 55 -15.953 -1.526 19.088 1.00 16.34 C ATOM 2615 N LYS C 56 -19.064 1.844 19.638 1.00 17.00 N ATOM 2616 CA LYS C 56 -20.011 2.798 19.335 1.00 18.57 C ATOM 2617 C LYS C 56 -19.657 4.015 19.595 1.00 20.36 C ATOM 2618 O LYS C 56 -19.638 5.117 18.950 1.00 20.10 O ATOM 2619 CB LYS C 56 -21.306 2.565 20.099 1.00 27.04 C ATOM 2620 CG LYS C 56 -22.017 1.239 19.517 1.00 42.35 C ATOM 2621 CD LYS C 56 -23.983 2.334 19.796 1.00 43.36 C ATOM 2622 CE LYS C 56 -24.238 -0.016 19.420 1.00 48.38 C ATOM 2623 NZ LYS C 56 -25.547 0.420 20.454 1.00 67.70 N ATOM 2624 N GLY C 57 -18.873 4.239 20.758 1.00 16.00 N ATOM 2625 CA GLY C 57 -18.397 5.432 21.231 1.00 21.54 C ATOM 2626 C GLY C 57 -17.299 6.086 20.387 1.00 18.61 C ATOM 2627 O GLY C 57 -17.174 7.416 20.069 1.00 24.59 O ATOM 2628 N HIS C 58 -16.421 5.133 20.063 1.00 15.81 N ATOM 2629 CA HIS C 58 -15.259 5.492 19.163 1.00 16.10 C ATOM 2630 C HIS C 58 -15.968 5.977 17.705 1.00 21.16 C ATOM 2631 O HIS C 58 -15.334 6.873 17.165 1.00 17.74 O ATOM 2632 CB HIS C 58 -14.298 4.450 19.037 1.00 15.43 C ATOM 2633 CG HIS C 58 -13.084 4.816 18.336 1.00 18.98 C ATOM 2634 ND1 HIS C 58 -12.377 5.886 18.887 1.00 21.14 N ATOM 2635 CD2 HIS C 58 -12.537 4.339 17.359 1.00 16.95 C ATOM 2636 CE1 HIS C 58 -11.397 5.896 17.811 1.00 21.77 C ATOM 2637 NE2 HIS C 58 -11.418 4.951 16.789 1.00 17.45 N ATOM 2638 N GLY C 59 -16.820 5.155 17.321 1.00 20.04 N ATOM 2639 CA GLY C 59 -17.341 5.505 16.148 1.00 24.32 C ATOM 2640 C GLY C 59 -18.005 6.810 15.949 1.00 16.44 C ATOM 2641 O GLY C 59 -17.768 7.655 14.926 1.00 16.63 O ATOM 2642 N LYS C 60 -18.641 7.304 17.045 1.00 14.40 N ATOM 2643 CA LYS C 60 -19.047 8.674 17.195 1.00 14.87 C ATOM 2644 C LYS C 60 -18.066 9.704 17.103 1.00 17.20 C ATOM 2645 O LYS C 60 -18.083 10.725 16.452 1.00 19.10 O ATOM 2646 CB LYS C 60 -20.090 8.722 18.417 1.00 20.14 C ATOM 2647 CG LYS C 60 -20.474 10.102 18.286 1.00 36.22 C ATOM 2648 CD LYS C 60 -21.736 10.498 19.120 1.00 67.45 C ATOM 2649 CE LYS C 60 -22.281 11.583 18.549 1.00 61.41 C ATOM 2650 NZ LYS C 60 -21.104 12.754 19.691 1.00 67.02 N ATOM 2651 N LYS C 61 -16.927 9.423 17.774 1.00 17.79 N ATOM 2652 CA LYS C 61 -15.858 10.357 17.767 1.00 21.13 C ATOM 2653 C LYS C 61 -15.164 10.595 16.162 1.00 16.24 C ATOM 2654 O LYS C 61 -14.881 11.695 15.808 1.00 15.80 O ATOM 2655 CB LYS C 61 -14.696 9.830 18.603 1.00 23.05 C ATOM 2656 CG LYS C 61 -15.062 10.074 19.860 1.00 29.48 C ATOM 2657 CD LYS C 61 -14.168 9.693 20.841 1.00 35.76 C ATOM 2658 CE LYS C 61 -14.859 10.184 22.437 1.00 58.26 C ATOM 2659 NZ LYS C 61 -13.290 9.055 22.853 1.00 59.87 N ATOM 2660 N VAL C 62 -15.053 9.278 15.522 1.00 15.31 N ATOM 2661 CA VAL C 62 -14.623 9.355 14.153 1.00 17.56 C ATOM 2662 C VAL C 62 -15.371 10.194 13.113 1.00 16.25 C ATOM 2663 O VAL C 62 -15.014 11.087 12.455 1.00 13.61 O ATOM 2664 CB VAL C 62 -14.380 7.809 13.720 1.00 18.84 C ATOM 2665 CG1 VAL C 62 -14.183 7.763 12.290 1.00 17.19 C ATOM 2666 CG2 VAL C 62 -13.252 7.305 14.521 1.00 18.33 C ATOM 2667 N ALA C 63 -16.701 9.866 13.495 1.00 13.67 N ATOM 2668 CA ALA C 63 -17.818 10.501 12.645 1.00 21.56 C ATOM 2669 C ALA C 63 -17.715 11.855 12.728 1.00 19.04 C ATOM 2670 O ALA C 63 -17.832 12.775 11.974 1.00 17.01 O ATOM 2671 CB ALA C 63 -19.206 9.890 12.827 1.00 17.02 C ATOM 2672 N ASP C 64 -17.653 12.417 13.991 1.00 16.51 N ATOM 2673 CA ASP C 64 -17.709 13.830 14.243 1.00 19.49 C ATOM 2674 C ASP C 64 -16.540 14.535 13.748 1.00 14.91 C ATOM 2675 O ASP C 64 -16.584 15.604 13.224 1.00 19.95 O ATOM 2676 CB ASP C 64 -17.991 14.096 15.799 1.00 24.76 C ATOM 2677 CG ASP C 64 -19.393 13.818 16.643 1.00 34.25 C ATOM 2678 OD1 ASP C 64 -20.152 13.414 15.899 1.00 28.85 O ATOM 2679 OD2 ASP C 64 -19.056 13.688 17.650 1.00 27.13 O ATOM 2680 N ALA C 65 -15.369 13.857 13.860 1.00 16.65 N ATOM 2681 CA ALA C 65 -14.163 14.481 13.291 1.00 16.32 C ATOM 2682 C ALA C 65 -14.252 14.735 11.694 1.00 13.95 C ATOM 2683 O ALA C 65 -13.994 15.689 11.048 1.00 16.33 O ATOM 2684 CB ALA C 65 -13.017 13.593 13.359 1.00 16.15 C ATOM 2685 N LEU C 66 -15.064 13.712 10.969 1.00 17.13 N ATOM 2686 CA LEU C 66 -15.337 13.726 9.525 1.00 13.55 C ATOM 2687 C LEU C 66 -16.272 14.810 9.233 1.00 14.32 C ATOM 2688 O LEU C 66 -16.159 15.647 8.296 1.00 15.99 O ATOM 2689 CB LEU C 66 -15.780 12.400 8.970 1.00 12.37 C ATOM 2690 CG LEU C 66 -14.557 11.353 8.900 1.00 14.22 C ATOM 2691 CD1 LEU C 66 -15.162 10.177 8.798 1.00 25.53 C ATOM 2692 CD2 LEU C 66 -13.636 11.641 7.894 1.00 14.43 C ATOM 2693 N THR C 67 -17.292 14.977 10.145 1.00 14.80 N ATOM 2694 CA THR C 67 -18.300 16.119 9.983 1.00 15.27 C ATOM 2695 C THR C 67 -17.479 17.374 10.100 1.00 19.15 C ATOM 2696 O THR C 67 -17.741 18.262 9.274 1.00 21.53 O ATOM 2697 CB THR C 67 -19.282 15.886 11.189 1.00 13.22 C ATOM 2698 OG1 THR C 67 -20.066 14.785 10.961 1.00 17.30 O ATOM 2699 CG2 THR C 67 -20.207 17.226 11.132 1.00 30.44 C ATOM 2700 N ASN C 68 -16.541 17.536 11.125 1.00 19.52 N ATOM 2701 CA ASN C 68 -15.765 18.613 11.088 1.00 21.49 C ATOM 2702 C ASN C 68 -14.901 18.833 9.858 1.00 19.25 C ATOM 2703 O ASN C 68 -14.653 20.197 9.353 1.00 22.73 O ATOM 2704 CB ASN C 68 -14.964 18.621 12.362 1.00 16.47 C ATOM 2705 CG ASN C 68 -13.974 19.880 12.584 1.00 43.34 C ATOM 2706 OD1 ASN C 68 -14.128 20.746 12.326 1.00 49.22 O ATOM 2707 ND2 ASN C 68 -12.524 19.654 13.058 1.00 50.67 N ATOM 2708 N ALA C 69 -14.378 17.793 9.402 1.00 16.22 N ATOM 2709 CA ALA C 69 -13.526 17.929 8.006 1.00 15.27 C ATOM 2710 C ALA C 69 -14.531 18.551 6.897 1.00 20.32 C ATOM 2711 O ALA C 69 -13.858 19.250 6.103 1.00 22.38 O ATOM 2712 CB ALA C 69 -12.891 16.615 7.759 1.00 15.52 C ATOM 2713 N VAL C 70 -15.649 17.853 6.837 1.00 18.62 N ATOM 2714 CA VAL C 70 -16.708 18.432 5.673 1.00 21.72 C ATOM 2715 C VAL C 70 -16.947 20.121 6.025 1.00 33.94 C ATOM 2716 O VAL C 70 -16.795 20.608 4.872 1.00 26.93 O ATOM 2717 CB VAL C 70 -17.884 17.598 5.765 1.00 16.50 C ATOM 2718 CG1 VAL C 70 -18.759 18.120 4.709 1.00 19.06 C ATOM 2719 CG2 VAL C 70 -17.623 16.139 5.358 1.00 16.14 C ATOM 2720 N ALA C 71 -17.135 20.362 6.965 1.00 27.30 N ATOM 2721 CA ALA C 71 -17.392 21.922 7.494 1.00 22.92 C ATOM 2722 C ALA C 71 -16.435 22.534 6.896 1.00 25.79 C ATOM 2723 O ALA C 71 -16.374 23.836 6.718 1.00 24.88 O ATOM 2724 CB ALA C 71 -17.865 21.980 8.684 1.00 26.73 C ATOM 2725 N HIS C 72 -15.134 22.254 6.980 1.00 25.11 N ATOM 2726 CA HIS C 72 -13.948 22.613 6.662 1.00 31.54 C ATOM 2727 C HIS C 72 -13.174 22.493 5.762 1.00 23.73 C ATOM 2728 O HIS C 72 -11.739 22.306 5.638 1.00 26.60 O ATOM 2729 CB HIS C 72 -12.834 22.798 8.133 1.00 34.18 C ATOM 2730 CG HIS C 72 -13.458 23.235 9.080 1.00 46.84 C ATOM 2731 ND1 HIS C 72 -13.546 24.937 9.646 1.00 41.84 N ATOM 2732 CD2 HIS C 72 -14.636 22.949 10.155 1.00 36.64 C ATOM 2733 CE1 HIS C 72 -14.088 24.896 10.559 1.00 46.81 C ATOM 2734 NE2 HIS C 72 -14.920 23.926 11.193 1.00 49.65 N ATOM 2735 N VAL C 73 -13.783 21.917 4.647 1.00 19.28 N ATOM 2736 CA VAL C 73 -13.123 21.287 3.673 1.00 19.45 C ATOM 2737 C VAL C 73 -11.827 22.122 2.987 1.00 29.84 C ATOM 2738 O VAL C 73 -10.987 21.361 2.509 1.00 35.51 O ATOM 2739 CB VAL C 73 -14.122 20.427 2.448 1.00 30.11 C ATOM 2740 CG1 VAL C 73 -14.780 21.629 2.180 1.00 33.72 C ATOM 2741 CG2 VAL C 73 -13.307 19.397 1.916 1.00 28.74 C ATOM 2742 N ASP C 74 -12.046 23.454 3.145 1.00 28.51 N ATOM 2743 CA ASP C 74 -10.850 24.295 2.500 1.00 28.33 C ATOM 2744 C ASP C 74 -9.537 24.483 3.294 1.00 41.00 C ATOM 2745 O ASP C 74 -8.999 25.130 2.953 1.00 39.68 O ATOM 2746 CB ASP C 74 -11.641 25.551 2.038 1.00 34.16 C ATOM 2747 CG ASP C 74 -12.636 25.691 1.138 1.00 52.11 C ATOM 2748 OD1 ASP C 74 -12.809 24.845 -0.109 1.00 41.95 O ATOM 2749 OD2 ASP C 74 -13.725 26.027 1.050 1.00 57.27 O ATOM 2750 N ASP C 75 -9.900 24.071 4.497 1.00 29.36 N ATOM 2751 CA ASP C 75 -8.638 24.283 5.628 1.00 35.73 C ATOM 2752 C ASP C 75 -9.022 23.128 6.558 1.00 33.10 C ATOM 2753 O ASP C 75 -8.649 23.257 7.697 1.00 33.04 O ATOM 2754 CB ASP C 75 -9.160 25.604 6.376 1.00 60.97 C ATOM 2755 CG ASP C 75 -8.310 26.492 7.214 1.00 66.84 C ATOM 2756 OD1 ASP C 75 -7.090 26.471 6.833 1.00 48.92 O ATOM 2757 OD2 ASP C 75 -9.269 26.482 8.164 1.00 62.98 O ATOM 2758 N MET C 76 -8.644 21.799 5.775 1.00 27.58 N ATOM 2759 CA MET C 76 -8.452 20.656 6.738 1.00 27.89 C ATOM 2760 C MET C 76 -7.374 20.534 7.506 1.00 27.58 C ATOM 2761 O MET C 76 -7.529 20.166 8.646 1.00 20.50 O ATOM 2762 CB MET C 76 -8.792 19.438 5.724 1.00 26.12 C ATOM 2763 CG MET C 76 -10.257 19.383 5.400 1.00 43.36 C ATOM 2764 SD MET C 76 -10.271 17.473 4.652 1.00 37.03 S ATOM 2765 CE MET C 76 -9.415 17.721 3.291 1.00 44.39 C ATOM 2766 N PRO C 77 -6.212 20.856 6.950 1.00 20.45 N ATOM 2767 CA PRO C 77 -5.120 20.876 8.013 1.00 25.45 C ATOM 2768 C PRO C 77 -5.008 21.386 9.255 1.00 36.43 C ATOM 2769 O PRO C 77 -4.686 20.931 10.357 1.00 30.57 O ATOM 2770 CB PRO C 77 -3.910 21.274 7.011 1.00 26.13 C ATOM 2771 CG PRO C 77 -4.232 21.298 5.608 1.00 24.41 C ATOM 2772 CD PRO C 77 -5.794 21.507 5.765 1.00 18.39 C ATOM 2773 N ASN C 78 -5.556 22.597 9.438 1.00 27.78 N ATOM 2774 CA ASN C 78 -6.067 23.245 10.604 1.00 53.47 C ATOM 2775 C ASN C 78 -6.714 22.831 11.450 1.00 25.06 C ATOM 2776 O ASN C 78 -6.836 22.551 12.629 1.00 27.11 O ATOM 2777 CB ASN C 78 -5.848 24.913 10.378 1.00 49.62 C ATOM 2778 CG ASN C 78 -5.937 25.817 11.891 1.00 27.09 C ATOM 2779 OD1 ASN C 78 -5.094 25.489 12.673 1.00 25.78 O ATOM 2780 ND2 ASN C 78 -7.164 26.163 12.327 1.00 30.98 N ATOM 2781 N ALA C 79 -8.038 22.510 10.822 1.00 21.32 N ATOM 2782 CA ALA C 79 -9.063 21.943 11.591 1.00 21.47 C ATOM 2783 C ALA C 79 -8.803 20.510 12.317 1.00 24.81 C ATOM 2784 O ALA C 79 -9.440 20.242 13.323 1.00 25.13 O ATOM 2785 CB ALA C 79 -10.333 21.459 10.764 1.00 25.42 C ATOM 2786 N LEU C 80 -8.034 19.757 11.542 1.00 14.71 N ATOM 2787 CA LEU C 80 -7.693 18.364 12.080 1.00 14.80 C ATOM 2788 C LEU C 80 -6.147 18.320 12.632 1.00 13.69 C ATOM 2789 O LEU C 80 -5.765 17.251 13.012 1.00 17.02 O ATOM 2790 CB LEU C 80 -7.618 17.425 10.975 1.00 23.31 C ATOM 2791 CG LEU C 80 -9.017 17.241 10.096 1.00 28.90 C ATOM 2792 CD1 LEU C 80 -8.888 16.179 9.066 1.00 22.59 C ATOM 2793 CD2 LEU C 80 -9.912 16.862 11.126 1.00 28.24 C ATOM 2794 N SER C 81 -5.642 19.595 13.022 1.00 15.20 N ATOM 2795 CA SER C 81 -4.176 19.598 13.532 1.00 16.69 C ATOM 2796 C SER C 81 -4.082 18.751 14.821 1.00 15.66 C ATOM 2797 O SER C 81 -3.121 18.036 14.913 1.00 18.30 O ATOM 2798 CB SER C 81 -4.200 21.212 13.927 1.00 20.04 C ATOM 2799 OG SER C 81 -2.662 21.194 13.956 1.00 27.86 O ATOM 2800 N ALA C 82 -4.975 18.951 15.740 1.00 16.14 N ATOM 2801 CA ALA C 82 -4.666 18.152 16.940 1.00 27.63 C ATOM 2802 C ALA C 82 -4.666 16.766 16.844 1.00 26.48 C ATOM 2803 O ALA C 82 -4.201 15.804 17.443 1.00 22.53 O ATOM 2804 CB ALA C 82 -5.631 18.625 18.033 1.00 26.01 C ATOM 2805 N LEU C 83 -5.794 16.171 15.738 1.00 16.69 N ATOM 2806 CA LEU C 83 -5.833 14.767 15.713 1.00 11.24 C ATOM 2807 C LEU C 83 -4.721 14.342 14.699 1.00 14.18 C ATOM 2808 O LEU C 83 -4.218 13.107 15.018 1.00 18.82 O ATOM 2809 CB LEU C 83 -7.049 14.621 14.641 1.00 19.57 C ATOM 2810 CG LEU C 83 -8.323 14.343 15.598 1.00 31.08 C ATOM 2811 CD1 LEU C 83 -9.453 13.945 14.510 1.00 37.56 C ATOM 2812 CD2 LEU C 83 -8.174 13.408 16.783 1.00 31.25 C ATOM 2813 N SER C 84 -4.154 15.133 13.918 1.00 17.80 N ATOM 2814 CA SER C 84 -2.888 14.776 13.267 1.00 16.31 C ATOM 2815 C SER C 84 -1.740 14.590 14.181 1.00 16.72 C ATOM 2816 O SER C 84 -0.882 13.728 14.196 1.00 20.08 O ATOM 2817 CB SER C 84 -1.928 15.701 12.069 1.00 25.74 C ATOM 2818 OG SER C 84 -2.988 16.059 11.690 1.00 36.74 O ATOM 2819 N ASP C 85 -1.671 15.596 15.245 1.00 14.56 N ATOM 2820 CA ASP C 85 -0.682 15.299 16.354 1.00 16.51 C ATOM 2821 C ASP C 85 -0.794 14.103 17.109 1.00 12.46 C ATOM 2822 O ASP C 85 0.064 13.405 17.411 1.00 15.88 O ATOM 2823 CB ASP C 85 -0.758 16.459 17.195 1.00 24.70 C ATOM 2824 CG ASP C 85 -0.167 17.721 16.629 1.00 34.11 C ATOM 2825 OD1 ASP C 85 0.446 17.900 15.796 1.00 25.15 O ATOM 2826 OD2 ASP C 85 -0.625 18.754 17.406 1.00 33.76 O ATOM 2827 N LEU C 86 -2.190 13.771 17.337 1.00 12.70 N ATOM 2828 CA LEU C 86 -2.467 12.693 18.111 1.00 16.53 C ATOM 2829 C LEU C 86 -2.015 11.303 17.695 1.00 14.13 C ATOM 2830 O LEU C 86 -1.425 10.432 18.116 1.00 17.79 O ATOM 2831 CB LEU C 86 -3.980 12.638 18.447 1.00 18.93 C ATOM 2832 CG LEU C 86 -4.506 11.657 19.521 1.00 29.36 C ATOM 2833 CD1 LEU C 86 -3.802 11.791 20.879 1.00 25.18 C ATOM 2834 CD2 LEU C 86 -5.938 11.585 19.602 1.00 37.62 C ATOM 2835 N HIS C 87 -2.350 11.290 16.308 1.00 15.64 N ATOM 2836 CA HIS C 87 -2.196 9.988 15.684 1.00 15.27 C ATOM 2837 C HIS C 87 -0.432 9.776 15.294 1.00 11.96 C ATOM 2838 O HIS C 87 -0.010 8.655 15.509 1.00 15.54 O ATOM 2839 CB HIS C 87 -2.877 9.761 14.248 1.00 15.31 C ATOM 2840 CG HIS C 87 -4.370 9.569 14.496 1.00 12.16 C ATOM 2841 ND1 HIS C 87 -5.204 10.514 14.931 1.00 15.96 N ATOM 2842 CD2 HIS C 87 -5.162 8.339 14.571 1.00 14.58 C ATOM 2843 CE1 HIS C 87 -6.508 9.921 15.132 1.00 13.46 C ATOM 2844 NE2 HIS C 87 -6.403 8.796 14.850 1.00 17.27 N ATOM 2845 N ALA C 88 0.106 11.030 15.024 1.00 14.25 N ATOM 2846 CA ALA C 88 1.440 11.027 14.747 1.00 15.37 C ATOM 2847 C ALA C 88 2.402 10.439 15.994 1.00 19.72 C ATOM 2848 O ALA C 88 3.419 9.888 15.742 1.00 18.60 O ATOM 2849 CB ALA C 88 2.009 12.263 14.095 1.00 17.41 C ATOM 2850 N HIS C 89 2.139 11.270 17.065 1.00 17.52 N ATOM 2851 CA HIS C 89 2.856 11.246 18.393 1.00 20.01 C ATOM 2852 C HIS C 89 2.445 10.295 19.376 1.00 19.52 C ATOM 2853 O HIS C 89 3.400 9.856 20.127 1.00 22.69 O ATOM 2854 CB HIS C 89 3.204 12.750 18.766 1.00 26.82 C ATOM 2855 CG HIS C 89 3.898 13.462 17.550 1.00 23.76 C ATOM 2856 ND1 HIS C 89 5.028 13.110 16.879 1.00 28.14 N ATOM 2857 CD2 HIS C 89 3.344 14.574 17.213 1.00 25.55 C ATOM 2858 CE1 HIS C 89 4.845 14.030 16.064 1.00 32.36 C ATOM 2859 NE2 HIS C 89 4.173 15.010 16.064 1.00 29.26 N ATOM 2860 N LYS C 90 1.340 9.800 19.443 1.00 16.72 N ATOM 2861 CA LYS C 90 0.718 9.223 20.440 1.00 20.32 C ATOM 2862 C LYS C 90 0.299 7.707 20.002 1.00 20.91 C ATOM 2863 O LYS C 90 0.862 6.631 20.320 1.00 23.22 O ATOM 2864 CB LYS C 90 -0.138 9.844 21.447 1.00 20.81 C ATOM 2865 CG LYS C 90 -0.560 8.580 22.285 1.00 29.14 C ATOM 2866 CD LYS C 90 -1.751 9.734 23.205 1.00 67.74 C ATOM 2867 CE LYS C 90 -1.793 8.441 24.607 1.00 66.29 C ATOM 2868 NZ LYS C 90 -1.676 10.047 25.898 1.00 56.99 N ATOM 2869 N LEU C 91 -0.852 7.689 19.140 1.00 13.37 N ATOM 2870 CA LEU C 91 -1.388 6.384 18.683 1.00 10.47 C ATOM 2871 C LEU C 91 -0.395 5.670 17.757 1.00 15.87 C ATOM 2872 O LEU C 91 -0.337 4.504 17.810 1.00 17.45 O ATOM 2873 CB LEU C 91 -2.734 6.916 18.060 1.00 11.80 C ATOM 2874 CG LEU C 91 -3.503 7.677 18.936 1.00 14.59 C ATOM 2875 CD1 LEU C 91 -4.817 8.063 18.135 1.00 18.31 C ATOM 2876 CD2 LEU C 91 -3.927 6.656 20.006 1.00 19.42 C ATOM 2877 N ARG C 92 0.163 6.386 16.757 1.00 17.30 N ATOM 2878 CA ARG C 92 1.225 5.888 15.973 1.00 16.69 C ATOM 2879 C ARG C 92 0.801 4.590 15.144 1.00 18.80 C ATOM 2880 O ARG C 92 1.289 3.690 14.985 1.00 19.26 O ATOM 2881 CB ARG C 92 2.462 5.556 16.835 1.00 13.64 C ATOM 2882 CG ARG C 92 3.207 6.871 17.042 1.00 14.42 C ATOM 2883 CD ARG C 92 4.320 6.680 18.089 1.00 27.16 C ATOM 2884 NE ARG C 92 4.955 7.507 17.826 1.00 44.94 N ATOM 2885 CZ ARG C 92 5.808 6.749 20.563 1.00 38.22 C ATOM 2886 NH1 ARG C 92 4.053 6.376 21.084 1.00 33.94 N ATOM 2887 NH2 ARG C 92 6.026 7.349 19.817 1.00 48.21 N ATOM 2888 N VAL C 93 -0.511 4.844 14.546 1.00 13.36 N ATOM 2889 CA VAL C 93 -1.122 3.790 13.672 1.00 14.31 C ATOM 2890 C VAL C 93 -0.425 3.861 12.310 1.00 12.63 C ATOM 2891 O VAL C 93 -0.266 4.875 11.618 1.00 14.78 O ATOM 2892 CB VAL C 93 -2.622 4.322 13.422 1.00 8.72 C ATOM 2893 CG1 VAL C 93 -3.298 3.413 12.409 1.00 14.83 C ATOM 2894 CG2 VAL C 93 -3.256 4.402 14.761 1.00 15.34 C ATOM 2895 N ASP C 94 -0.069 2.672 11.865 1.00 14.84 N ATOM 2896 CA ASP C 94 0.516 2.634 10.645 1.00 17.19 C ATOM 2897 C ASP C 94 -0.337 3.187 9.492 1.00 13.94 C ATOM 2898 O ASP C 94 -1.496 2.844 9.436 1.00 13.55 O ATOM 2899 CB ASP C 94 1.001 1.175 10.166 1.00 19.19 C ATOM 2900 CG ASP C 94 2.066 1.114 9.015 1.00 25.98 C ATOM 2901 OD1 ASP C 94 3.132 1.101 9.167 1.00 23.44 O ATOM 2902 OD2 ASP C 94 1.457 1.246 7.818 1.00 20.10 O ATOM 2903 N PRO C 95 0.336 3.997 8.656 1.00 13.43 N ATOM 2904 CA PRO C 95 -0.533 4.680 7.482 1.00 16.10 C ATOM 2905 C PRO C 95 -1.120 3.788 6.667 1.00 11.12 C ATOM 2906 O PRO C 95 -2.331 4.229 6.243 1.00 14.55 O ATOM 2907 CB PRO C 95 0.512 5.399 6.750 1.00 19.09 C ATOM 2908 CG PRO C 95 1.437 5.610 7.677 1.00 18.28 C ATOM 2909 CD PRO C 95 1.704 4.489 8.616 1.00 15.64 C ATOM 2910 N VAL C 96 -0.975 2.426 6.418 1.00 15.60 N ATOM 2911 CA VAL C 96 -1.688 1.553 5.597 1.00 13.24 C ATOM 2912 C VAL C 96 -3.093 1.373 6.108 1.00 11.50 C ATOM 2913 O VAL C 96 -4.125 1.168 5.337 1.00 13.19 O ATOM 2914 CB VAL C 96 -0.963 0.166 5.595 1.00 20.64 C ATOM 2915 CG1 VAL C 96 0.380 0.545 5.130 1.00 37.75 C ATOM 2916 CG2 VAL C 96 -0.986 -0.723 6.614 1.00 28.85 C ATOM 2917 N ASN C 97 -3.362 1.525 7.446 1.00 9.54 N ATOM 2918 CA ASN C 97 -4.626 1.297 7.971 1.00 11.68 C ATOM 2919 C ASN C 97 -5.641 2.261 7.562 1.00 9.63 C ATOM 2920 O ASN C 97 -6.898 1.950 7.745 1.00 9.95 O ATOM 2921 CB ASN C 97 -4.431 1.174 9.336 1.00 13.42 C ATOM 2922 CG ASN C 97 -3.599 -0.084 9.836 1.00 14.06 C ATOM 2923 OD1 ASN C 97 -3.997 -1.327 9.652 1.00 8.45 O ATOM 2924 ND2 ASN C 97 -2.374 0.157 10.197 1.00 18.92 N ATOM 2925 N PHE C 98 -5.236 3.438 7.306 1.00 11.20 N ATOM 2926 CA PHE C 98 -6.082 4.528 6.931 1.00 10.00 C ATOM 2927 C PHE C 98 -6.998 4.116 5.628 1.00 12.29 C ATOM 2928 O PHE C 98 -8.203 4.405 5.580 1.00 11.85 O ATOM 2929 CB PHE C 98 -5.520 5.917 6.784 1.00 11.84 C ATOM 2930 CG PHE C 98 -4.966 6.392 8.161 1.00 10.85 C ATOM 2931 CD1 PHE C 98 -5.796 7.234 8.908 1.00 20.50 C ATOM 2932 CD2 PHE C 98 -3.900 5.913 8.688 1.00 15.66 C ATOM 2933 CE1 PHE C 98 -5.555 7.714 10.141 1.00 25.62 C ATOM 2934 CE2 PHE C 98 -3.735 6.528 10.021 1.00 23.17 C ATOM 2935 CZ PHE C 98 -4.378 7.442 10.790 1.00 16.17 C ATOM 2936 N LYS C 99 -6.268 3.417 4.783 1.00 12.40 N ATOM 2937 CA LYS C 99 -6.999 2.958 3.593 1.00 16.89 C ATOM 2938 C LYS C 99 -8.208 2.150 3.790 1.00 16.36 C ATOM 2939 O LYS C 99 -9.081 1.954 3.131 1.00 12.00 O ATOM 2940 CB LYS C 99 -5.965 2.519 2.404 1.00 37.75 C ATOM 2941 CG LYS C 99 -5.634 1.867 2.299 1.00 60.42 C ATOM 2942 CD LYS C 99 -4.523 1.328 0.960 1.00 80.12 C ATOM 2943 CE LYS C 99 -5.145 -0.811 1.345 1.00 54.41 C ATOM 2944 NZ LYS C 99 -4.072 -1.896 0.975 1.00 73.17 N ATOM 2945 N LEU C 100 -7.771 1.248 4.812 1.00 11.58 N ATOM 2946 CA LEU C 100 -8.668 0.083 5.298 1.00 10.08 C ATOM 2947 C LEU C 100 -9.923 0.739 5.824 1.00 15.81 C ATOM 2948 O LEU C 100 -11.033 0.328 5.495 1.00 12.64 O ATOM 2949 CB LEU C 100 -7.919 -0.962 6.095 1.00 11.52 C ATOM 2950 CG LEU C 100 -6.700 -1.456 5.659 1.00 12.29 C ATOM 2951 CD1 LEU C 100 -6.140 -2.487 6.602 1.00 13.43 C ATOM 2952 CD2 LEU C 100 -6.937 -2.037 4.366 1.00 20.82 C ATOM 2953 N LEU C 101 -9.764 1.698 6.763 1.00 9.97 N ATOM 2954 CA LEU C 101 -10.983 2.177 7.355 1.00 11.48 C ATOM 2955 C LEU C 101 -11.756 3.062 6.216 1.00 15.63 C ATOM 2956 O LEU C 101 -12.976 2.978 6.299 1.00 14.14 O ATOM 2957 CB LEU C 101 -10.599 3.208 8.498 1.00 14.89 C ATOM 2958 CG LEU C 101 -11.670 3.902 9.072 1.00 22.22 C ATOM 2959 CD1 LEU C 101 -12.818 2.883 9.487 1.00 22.49 C ATOM 2960 CD2 LEU C 101 -11.241 4.642 10.285 1.00 23.89 C ATOM 2961 N SER C 102 -11.033 3.737 5.313 1.00 13.80 N ATOM 2962 CA SER C 102 -11.714 4.605 4.376 1.00 7.27 C ATOM 2963 C SER C 102 -12.532 3.565 3.508 1.00 8.13 C ATOM 2964 O SER C 102 -13.716 4.048 3.196 1.00 14.48 O ATOM 2965 CB SER C 102 -10.627 5.223 3.513 1.00 12.53 C ATOM 2966 OG SER C 102 -9.908 6.246 4.205 1.00 16.99 O ATOM 2967 N HIS C 103 -12.013 2.448 3.076 1.00 9.47 N ATOM 2968 CA HIS C 103 -12.856 1.553 2.231 1.00 7.87 C ATOM 2969 C HIS C 103 -13.969 1.179 3.005 1.00 9.96 C ATOM 2970 O HIS C 103 -15.145 1.064 2.463 1.00 11.06 O ATOM 2971 CB HIS C 103 -12.045 0.334 2.007 1.00 13.28 C ATOM 2972 CG HIS C 103 -12.687 -0.723 1.251 1.00 12.69 C ATOM 2973 ND1 HIS C 103 -12.940 -2.084 2.021 1.00 13.59 N ATOM 2974 CD2 HIS C 103 -13.286 -0.768 0.111 1.00 11.80 C ATOM 2975 CE1 HIS C 103 -13.607 -2.702 0.895 1.00 18.03 C ATOM 2976 NE2 HIS C 103 -13.846 -2.052 -0.281 1.00 12.75 N ATOM 2977 N CYS C 104 -13.956 0.809 4.281 1.00 11.32 N ATOM 2978 CA CYS C 104 -15.102 0.402 5.220 1.00 10.36 C ATOM 2979 C CYS C 104 -16.128 1.576 5.312 1.00 10.40 C ATOM 2980 O CYS C 104 -17.326 1.230 5.408 1.00 13.45 O ATOM 2981 CB CYS C 104 -14.679 -0.210 6.511 1.00 10.60 C ATOM 2982 SG CYS C 104 -13.758 -1.766 6.256 1.00 14.84 S ATOM 2983 N LEU C 105 -15.610 2.759 5.400 1.00 7.19 N ATOM 2984 CA LEU C 105 -16.550 3.718 5.401 1.00 7.94 C ATOM 2985 C LEU C 105 -17.308 3.811 4.064 1.00 12.20 C ATOM 2986 O LEU C 105 -18.557 4.127 4.121 1.00 10.34 O ATOM 2987 CB LEU C 105 -15.878 5.040 5.656 1.00 21.49 C ATOM 2988 CG LEU C 105 -16.527 6.202 6.207 1.00 44.61 C ATOM 2989 CD1 LEU C 105 -16.548 5.934 7.976 1.00 29.90 C ATOM 2990 CD2 LEU C 105 -14.638 7.055 6.645 1.00 67.41 C ATOM 2991 N LEU C 106 -16.563 3.801 3.055 1.00 12.01 N ATOM 2992 CA LEU C 106 -17.399 3.653 1.720 1.00 11.59 C ATOM 2993 C LEU C 106 -18.331 2.701 1.716 1.00 13.18 C ATOM 2994 O LEU C 106 -19.445 3.007 1.174 1.00 13.67 O ATOM 2995 CB LEU C 106 -16.393 3.784 0.463 1.00 15.01 C ATOM 2996 CG LEU C 106 -15.665 4.920 0.043 1.00 26.98 C ATOM 2997 CD1 LEU C 106 -14.786 4.477 -0.938 1.00 27.15 C ATOM 2998 CD2 LEU C 106 -16.427 6.222 -0.197 1.00 28.82 C ATOM 2999 N VAL C 107 -18.135 1.497 2.015 1.00 9.69 N ATOM 3000 CA VAL C 107 -18.836 0.268 2.127 1.00 13.59 C ATOM 3001 C VAL C 107 -20.197 0.605 2.883 1.00 17.84 C ATOM 3002 O VAL C 107 -21.451 0.519 2.577 1.00 16.17 O ATOM 3003 CB VAL C 107 -18.247 -1.024 2.534 1.00 6.66 C ATOM 3004 CG1 VAL C 107 -19.313 -1.975 2.757 1.00 10.41 C ATOM 3005 CG2 VAL C 107 -17.243 -1.377 1.493 1.00 9.95 C ATOM 3006 N THR C 108 -20.022 1.317 4.069 1.00 12.50 N ATOM 3007 CA THR C 108 -21.156 1.586 4.961 1.00 12.00 C ATOM 3008 C THR C 108 -22.004 2.672 4.235 1.00 8.53 C ATOM 3009 O THR C 108 -23.266 2.600 4.430 1.00 13.95 O ATOM 3010 CB THR C 108 -20.489 2.175 6.313 1.00 10.15 C ATOM 3011 OG1 THR C 108 -19.618 1.211 6.782 1.00 10.65 O ATOM 3012 CG2 THR C 108 -21.574 2.581 7.303 1.00 9.30 C ATOM 3013 N LEU C 109 -21.432 3.696 3.675 1.00 9.01 N ATOM 3014 CA LEU C 109 -22.256 4.765 2.941 1.00 9.31 C ATOM 3015 C LEU C 109 -23.120 4.001 2.078 1.00 15.85 C ATOM 3016 O LEU C 109 -24.157 4.405 1.752 1.00 14.26 O ATOM 3017 CB LEU C 109 -21.296 5.848 2.566 1.00 11.02 C ATOM 3018 CG LEU C 109 -20.716 6.843 3.619 1.00 19.91 C ATOM 3019 CD1 LEU C 109 -19.558 7.677 2.954 1.00 29.96 C ATOM 3020 CD2 LEU C 109 -21.630 7.225 4.484 1.00 27.29 C ATOM 3021 N ALA C 110 -22.355 3.185 1.097 1.00 14.51 N ATOM 3022 CA ALA C 110 -22.975 2.438 -0.100 1.00 13.69 C ATOM 3023 C ALA C 110 -24.179 1.916 0.467 1.00 24.66 C ATOM 3024 O ALA C 110 -25.339 1.691 -0.205 1.00 18.31 O ATOM 3025 CB ALA C 110 -21.958 1.541 -0.721 1.00 13.14 C ATOM 3026 N ALA C 111 -24.108 1.069 1.636 1.00 17.30 N ATOM 3027 CA ALA C 111 -25.131 0.205 2.227 1.00 14.98 C ATOM 3028 C ALA C 111 -26.406 1.141 2.649 1.00 17.59 C ATOM 3029 O ALA C 111 -27.374 0.392 2.964 1.00 18.70 O ATOM 3030 CB ALA C 111 -24.528 -0.603 3.334 1.00 14.01 C ATOM 3031 N HIS C 112 -26.145 2.311 3.092 1.00 17.57 N ATOM 3032 CA HIS C 112 -27.157 3.218 3.684 1.00 17.81 C ATOM 3033 C HIS C 112 -27.592 4.143 2.662 1.00 23.35 C ATOM 3034 O HIS C 112 -28.643 4.846 3.027 1.00 25.70 O ATOM 3035 CB HIS C 112 -26.632 3.907 4.985 1.00 19.09 C ATOM 3036 CG HIS C 112 -26.731 2.953 5.878 1.00 25.33 C ATOM 3037 ND1 HIS C 112 -25.315 2.095 6.535 1.00 35.05 N ATOM 3038 CD2 HIS C 112 -27.507 2.446 6.914 1.00 26.57 C ATOM 3039 CE1 HIS C 112 -25.696 1.397 7.484 1.00 18.65 C ATOM 3040 NE2 HIS C 112 -27.041 1.550 7.786 1.00 32.92 N ATOM 3041 N LEU C 113 -27.112 4.669 1.736 1.00 23.20 N ATOM 3042 CA LEU C 113 -27.336 5.646 0.694 1.00 19.73 C ATOM 3043 C LEU C 113 -27.527 4.917 -0.780 1.00 24.44 C ATOM 3044 O LEU C 113 -26.931 5.709 -1.436 1.00 27.49 O ATOM 3045 CB LEU C 113 -26.346 6.534 0.722 1.00 30.36 C ATOM 3046 CG LEU C 113 -26.291 7.305 1.871 1.00 29.78 C ATOM 3047 CD1 LEU C 113 -24.949 8.197 1.187 1.00 35.69 C ATOM 3048 CD2 LEU C 113 -27.165 7.743 2.593 1.00 47.79 C ATOM 3049 N PRO C 114 -28.533 4.269 -1.071 1.00 23.63 N ATOM 3050 CA PRO C 114 -28.972 3.222 -2.364 1.00 26.62 C ATOM 3051 C PRO C 114 -29.185 4.694 -3.555 1.00 35.32 C ATOM 3052 O PRO C 114 -28.033 5.030 -4.238 1.00 38.93 O ATOM 3053 CB PRO C 114 -29.692 2.344 -1.692 1.00 32.82 C ATOM 3054 CG PRO C 114 -30.705 3.466 -1.031 1.00 48.45 C ATOM 3055 CD PRO C 114 -29.572 3.964 0.093 1.00 44.41 C ATOM 3056 N ALA C 115 -29.614 5.816 -3.110 1.00 34.13 N ATOM 3057 CA ALA C 115 -29.733 6.788 -3.943 1.00 25.13 C ATOM 3058 C ALA C 115 -28.814 7.547 -4.176 1.00 23.70 C ATOM 3059 O ALA C 115 -28.484 8.189 -5.293 1.00 28.59 O ATOM 3060 CB ALA C 115 -31.178 7.688 -4.040 1.00 49.66 C ATOM 3061 N GLU C 116 -27.955 7.979 -3.256 1.00 19.87 N ATOM 3062 CA GLU C 116 -26.996 9.192 -3.337 1.00 15.46 C ATOM 3063 C GLU C 116 -25.546 8.615 -3.591 1.00 17.63 C ATOM 3064 O GLU C 116 -24.903 9.456 -4.305 1.00 21.65 O ATOM 3065 CB GLU C 116 -26.603 9.453 -1.769 1.00 24.21 C ATOM 3066 CG GLU C 116 -28.465 8.862 -0.493 1.00 64.07 C ATOM 3067 CD GLU C 116 -28.940 10.160 -0.964 1.00 64.09 C ATOM 3068 OE1 GLU C 116 -28.783 10.922 -1.780 1.00 59.54 O ATOM 3069 OE2 GLU C 116 -30.228 9.634 -0.550 1.00 58.51 O ATOM 3070 N PHE C 117 -25.343 7.424 -3.452 1.00 18.06 N ATOM 3071 CA PHE C 117 -24.055 6.750 -3.919 1.00 15.96 C ATOM 3072 C PHE C 117 -23.837 6.451 -5.366 1.00 17.62 C ATOM 3073 O PHE C 117 -23.697 5.333 -5.682 1.00 20.40 O ATOM 3074 CB PHE C 117 -23.795 5.597 -3.019 1.00 11.69 C ATOM 3075 CG PHE C 117 -22.482 5.073 -2.755 1.00 15.94 C ATOM 3076 CD1 PHE C 117 -21.516 5.939 -2.024 1.00 20.23 C ATOM 3077 CD2 PHE C 117 -21.879 3.939 -3.352 1.00 18.29 C ATOM 3078 CE1 PHE C 117 -20.010 5.429 -1.856 1.00 21.74 C ATOM 3079 CE2 PHE C 117 -20.499 3.543 -3.388 1.00 15.69 C ATOM 3080 CZ PHE C 117 -19.734 4.357 -2.542 1.00 19.08 C ATOM 3081 N THR C 118 -23.888 7.554 -6.187 1.00 16.36 N ATOM 3082 CA THR C 118 -23.750 7.200 -7.579 1.00 24.73 C ATOM 3083 C THR C 118 -22.162 7.085 -7.979 1.00 20.24 C ATOM 3084 O THR C 118 -21.404 7.258 -6.938 1.00 17.57 O ATOM 3085 CB THR C 118 -23.989 8.809 -8.229 1.00 24.50 C ATOM 3086 OG1 THR C 118 -25.423 9.053 -8.024 1.00 43.24 O ATOM 3087 CG2 THR C 118 -23.399 9.727 -8.021 1.00 20.86 C ATOM 3088 N PRO C 119 -21.965 6.771 -8.980 1.00 16.01 N ATOM 3089 CA PRO C 119 -20.523 6.700 -9.434 1.00 19.05 C ATOM 3090 C PRO C 119 -19.780 7.932 -9.012 1.00 19.72 C ATOM 3091 O PRO C 119 -18.600 7.893 -8.606 1.00 14.74 O ATOM 3092 CB PRO C 119 -20.464 6.235 -10.815 1.00 21.12 C ATOM 3093 CG PRO C 119 -21.872 5.425 -11.078 1.00 19.58 C ATOM 3094 CD PRO C 119 -22.940 6.131 -10.122 1.00 19.86 C ATOM 3095 N ALA C 120 -20.252 9.094 -9.502 1.00 19.86 N ATOM 3096 CA ALA C 120 -19.548 10.276 -9.334 1.00 18.74 C ATOM 3097 C ALA C 120 -19.388 10.637 -7.832 1.00 10.87 C ATOM 3098 O ALA C 120 -18.248 11.251 -7.450 1.00 14.38 O ATOM 3099 CB ALA C 120 -20.260 11.491 -9.979 1.00 23.51 C ATOM 3100 N VAL C 121 -20.385 10.350 -7.040 1.00 15.38 N ATOM 3101 CA VAL C 121 -20.425 10.526 -5.562 1.00 17.86 C ATOM 3102 C VAL C 121 -19.282 9.640 -4.960 1.00 13.56 C ATOM 3103 O VAL C 121 -18.551 10.181 -4.182 1.00 14.98 O ATOM 3104 CB VAL C 121 -21.712 10.598 -4.961 1.00 16.82 C ATOM 3105 CG1 VAL C 121 -21.586 10.574 -3.474 1.00 15.23 C ATOM 3106 CG2 VAL C 121 -22.399 11.837 -5.508 1.00 18.21 C ATOM 3107 N HIS C 122 -19.274 8.429 -5.423 1.00 13.62 N ATOM 3108 CA HIS C 122 -18.258 7.352 -4.974 1.00 13.41 C ATOM 3109 C HIS C 122 -16.927 7.953 -5.183 1.00 19.70 C ATOM 3110 O HIS C 122 -16.069 7.929 -4.270 1.00 15.94 O ATOM 3111 CB HIS C 122 -18.661 6.175 -5.608 1.00 13.44 C ATOM 3112 CG HIS C 122 -17.896 4.996 -5.506 1.00 11.42 C ATOM 3113 ND1 HIS C 122 -18.152 3.694 -5.975 1.00 16.43 N ATOM 3114 CD2 HIS C 122 -16.677 4.952 -4.678 1.00 17.04 C ATOM 3115 CE1 HIS C 122 -17.175 2.906 -5.621 1.00 20.17 C ATOM 3116 NE2 HIS C 122 -16.333 3.490 -4.734 1.00 16.87 N ATOM 3117 N ALA C 123 -16.663 8.527 -6.359 1.00 13.94 N ATOM 3118 CA ALA C 123 -15.263 8.979 -6.644 1.00 17.63 C ATOM 3119 C ALA C 123 -14.878 10.124 -5.801 1.00 15.63 C ATOM 3120 O ALA C 123 -13.855 10.169 -5.195 1.00 16.32 O ATOM 3121 CB ALA C 123 -15.304 9.355 -8.200 1.00 21.15 C ATOM 3122 N SER C 124 -15.845 11.044 -5.588 1.00 11.75 N ATOM 3123 CA SER C 124 -15.443 12.245 -4.719 1.00 15.01 C ATOM 3124 C SER C 124 -15.332 11.744 -3.177 1.00 15.67 C ATOM 3125 O SER C 124 -14.471 12.374 -2.655 1.00 13.45 O ATOM 3126 CB SER C 124 -16.754 13.206 -4.754 1.00 14.78 C ATOM 3127 OG SER C 124 -17.033 13.770 -6.107 1.00 17.64 O ATOM 3128 N LEU C 125 -16.158 10.923 -2.823 1.00 10.43 N ATOM 3129 CA LEU C 125 -15.983 10.431 -1.427 1.00 12.66 C ATOM 3130 C LEU C 125 -14.705 9.708 -1.135 1.00 12.01 C ATOM 3131 O LEU C 125 -13.873 9.973 -0.196 1.00 10.58 O ATOM 3132 CB LEU C 125 -17.093 9.515 -1.060 1.00 10.32 C ATOM 3133 CG LEU C 125 -18.393 10.264 -0.600 1.00 16.01 C ATOM 3134 CD1 LEU C 125 -19.493 9.231 -0.642 1.00 21.31 C ATOM 3135 CD2 LEU C 125 -18.244 11.194 0.645 1.00 19.17 C ATOM 3136 N ASP C 126 -14.179 8.973 -2.132 1.00 15.23 N ATOM 3137 CA ASP C 126 -12.896 8.220 -2.060 1.00 15.01 C ATOM 3138 C ASP C 126 -11.877 9.262 -2.029 1.00 17.34 C ATOM 3139 O ASP C 126 -10.873 9.161 -1.311 1.00 17.16 O ATOM 3140 CB ASP C 126 -12.829 7.258 -3.164 1.00 14.23 C ATOM 3141 CG ASP C 126 -11.630 6.072 -2.962 1.00 15.33 C ATOM 3142 OD1 ASP C 126 -11.594 5.816 -1.849 1.00 21.18 O ATOM 3143 OD2 ASP C 126 -10.723 6.195 -3.670 1.00 18.49 O ATOM 3144 N LYS C 127 -11.889 10.369 -2.865 1.00 10.51 N ATOM 3145 CA LYS C 127 -10.843 11.346 -2.937 1.00 9.26 C ATOM 3146 C LYS C 127 -10.985 12.090 -1.550 1.00 10.60 C ATOM 3147 O LYS C 127 -9.736 12.501 -1.011 1.00 13.38 O ATOM 3148 CB LYS C 127 -11.128 12.473 -4.012 1.00 12.57 C ATOM 3149 CG LYS C 127 -10.837 11.844 -5.259 1.00 21.03 C ATOM 3150 CD LYS C 127 -11.084 12.905 -6.433 1.00 27.03 C ATOM 3151 CE LYS C 127 -10.200 14.180 -6.287 1.00 36.89 C ATOM 3152 NZ LYS C 127 -10.401 15.128 -7.495 1.00 25.75 N ATOM 3153 N PHE C 128 -12.089 12.351 -1.096 1.00 12.44 N ATOM 3154 CA PHE C 128 -12.150 13.112 0.060 1.00 14.73 C ATOM 3155 C PHE C 128 -11.573 12.159 1.379 1.00 19.70 C ATOM 3156 O PHE C 128 -10.742 12.890 2.141 1.00 15.58 O ATOM 3157 CB PHE C 128 -13.559 13.504 0.502 1.00 11.17 C ATOM 3158 CG PHE C 128 -13.873 13.981 2.080 1.00 11.86 C ATOM 3159 CD1 PHE C 128 -13.416 15.303 2.300 1.00 15.77 C ATOM 3160 CD2 PHE C 128 -14.468 13.060 2.611 1.00 23.89 C ATOM 3161 CE1 PHE C 128 -13.803 15.496 3.630 1.00 14.00 C ATOM 3162 CE2 PHE C 128 -14.618 13.544 4.103 1.00 26.48 C ATOM 3163 CZ PHE C 128 -14.347 14.715 4.443 1.00 15.47 C ATOM 3164 N LEU C 129 -11.958 10.929 1.410 1.00 14.00 N ATOM 3165 CA LEU C 129 -11.373 10.116 2.580 1.00 13.04 C ATOM 3166 C LEU C 129 -9.834 9.957 2.377 1.00 17.30 C ATOM 3167 O LEU C 129 -8.955 10.001 3.360 1.00 14.75 O ATOM 3168 CB LEU C 129 -11.850 8.796 2.608 1.00 12.12 C ATOM 3169 CG LEU C 129 -13.240 8.898 3.000 1.00 20.92 C ATOM 3170 CD1 LEU C 129 -14.044 7.674 2.880 1.00 26.64 C ATOM 3171 CD2 LEU C 129 -13.522 9.300 4.355 1.00 35.02 C ATOM 3172 N ALA C 130 -9.238 9.941 1.192 1.00 16.20 N ATOM 3173 CA ALA C 130 -7.860 10.006 0.893 1.00 14.56 C ATOM 3174 C ALA C 130 -7.216 11.214 1.438 1.00 19.27 C ATOM 3175 O ALA C 130 -5.982 11.322 1.999 1.00 14.14 O ATOM 3176 CB ALA C 130 -7.442 9.870 -0.423 1.00 17.10 C ATOM 3177 N SER C 131 -7.839 12.284 1.109 1.00 18.74 N ATOM 3178 CA SER C 131 -7.158 13.685 1.577 1.00 19.45 C ATOM 3179 C SER C 131 -7.424 13.831 3.307 1.00 14.53 C ATOM 3180 O SER C 131 -6.317 14.261 3.681 1.00 12.58 O ATOM 3181 CB SER C 131 -8.220 14.954 1.086 1.00 22.90 C ATOM 3182 OG SER C 131 -8.002 14.782 -0.395 1.00 37.64 O ATOM 3183 N VAL C 132 -8.436 13.257 3.800 1.00 12.03 N ATOM 3184 CA VAL C 132 -8.508 13.199 5.238 1.00 13.41 C ATOM 3185 C VAL C 132 -7.272 12.425 5.809 1.00 19.42 C ATOM 3186 O VAL C 132 -6.491 12.809 6.794 1.00 14.00 O ATOM 3187 CB VAL C 132 -9.726 12.697 5.713 1.00 15.91 C ATOM 3188 CG1 VAL C 132 -9.619 12.379 7.255 1.00 17.14 C ATOM 3189 CG2 VAL C 132 -11.022 13.817 5.553 1.00 19.41 C ATOM 3190 N SER C 133 -7.133 11.157 5.180 1.00 14.01 N ATOM 3191 CA SER C 133 -6.066 10.266 5.421 1.00 13.12 C ATOM 3192 C SER C 133 -4.733 10.965 5.281 1.00 21.83 C ATOM 3193 O SER C 133 -3.772 10.686 6.325 1.00 18.12 O ATOM 3194 CB SER C 133 -5.938 8.996 4.603 1.00 13.61 C ATOM 3195 OG SER C 133 -7.161 8.346 5.111 1.00 18.98 O ATOM 3196 N THR C 134 -4.427 11.617 4.350 1.00 17.53 N ATOM 3197 CA THR C 134 -3.144 12.409 4.136 1.00 15.95 C ATOM 3198 C THR C 134 -2.914 13.473 5.177 1.00 16.97 C ATOM 3199 O THR C 134 -1.750 13.477 5.831 1.00 20.39 O ATOM 3200 CB THR C 134 -3.269 13.086 2.683 1.00 18.28 C ATOM 3201 OG1 THR C 134 -3.148 12.134 1.784 1.00 22.72 O ATOM 3202 CG2 THR C 134 -2.059 13.978 2.401 1.00 22.70 C ATOM 3203 N VAL C 135 -3.965 14.094 5.504 1.00 15.13 N ATOM 3204 CA VAL C 135 -3.754 15.191 6.579 1.00 16.51 C ATOM 3205 C VAL C 135 -3.260 14.323 7.873 1.00 16.40 C ATOM 3206 O VAL C 135 -2.487 14.902 8.617 1.00 15.94 O ATOM 3207 CB VAL C 135 -5.059 16.100 6.780 1.00 18.21 C ATOM 3208 CG1 VAL C 135 -5.021 16.981 8.022 1.00 17.40 C ATOM 3209 CG2 VAL C 135 -5.230 16.888 5.569 1.00 19.71 C ATOM 3210 N LEU C 136 -4.222 13.312 8.307 1.00 12.10 N ATOM 3211 CA LEU C 136 -4.023 12.675 9.630 1.00 15.98 C ATOM 3212 C LEU C 136 -2.564 12.099 9.666 1.00 16.04 C ATOM 3213 O LEU C 136 -2.112 11.725 10.867 1.00 16.42 O ATOM 3214 CB LEU C 136 -5.060 11.690 9.725 1.00 16.86 C ATOM 3215 CG LEU C 136 -6.464 12.340 9.949 1.00 24.99 C ATOM 3216 CD1 LEU C 136 -7.273 11.133 10.442 1.00 18.69 C ATOM 3217 CD2 LEU C 136 -6.479 13.221 11.104 1.00 43.05 C ATOM 3218 N THR C 137 -1.948 11.875 8.493 1.00 14.30 N ATOM 3219 CA THR C 137 -0.644 11.078 8.570 1.00 16.72 C ATOM 3220 C THR C 137 0.600 12.250 8.229 1.00 20.27 C ATOM 3221 O THR C 137 1.641 11.779 8.219 1.00 19.99 O ATOM 3222 CB THR C 137 -0.616 9.898 7.452 1.00 21.82 C ATOM 3223 OG1 THR C 137 -0.747 10.397 6.348 1.00 20.00 O ATOM 3224 CG2 THR C 137 -1.429 8.802 8.131 1.00 20.00 C ATOM 3225 N SER C 138 0.217 13.432 7.965 1.00 21.45 N ATOM 3226 CA SER C 138 1.195 14.450 7.576 1.00 24.00 C ATOM 3227 C SER C 138 2.427 14.664 8.641 1.00 26.98 C ATOM 3228 O SER C 138 3.195 15.345 8.032 1.00 21.99 O ATOM 3229 CB SER C 138 0.001 16.139 8.122 1.00 21.69 C ATOM 3230 OG SER C 138 0.377 15.823 6.927 1.00 42.20 O ATOM 3231 N LYS C 139 2.133 14.403 9.912 1.00 22.73 N ATOM 3232 CA LYS C 139 3.191 14.934 10.883 1.00 27.59 C ATOM 3233 C LYS C 139 3.975 13.581 11.372 1.00 19.22 C ATOM 3234 O LYS C 139 4.646 13.643 12.389 1.00 14.35 O ATOM 3235 CB LYS C 139 2.358 15.487 11.974 1.00 19.55 C ATOM 3236 CG LYS C 139 2.071 17.001 11.340 1.00 22.79 C ATOM 3237 CD LYS C 139 1.307 17.445 12.283 1.00 42.21 C ATOM 3238 CE LYS C 139 1.086 19.324 11.798 1.00 36.26 C ATOM 3239 NZ LYS C 139 -0.244 18.940 13.010 1.00 30.87 N ATOM 3240 N TYR C 140 3.750 12.465 10.738 1.00 18.17 N ATOM 3241 CA TYR C 140 4.409 11.291 11.242 1.00 17.49 C ATOM 3242 C TYR C 140 5.879 11.300 11.241 1.00 19.10 C ATOM 3243 O TYR C 140 6.366 10.507 12.197 1.00 22.35 O ATOM 3244 CB TYR C 140 3.865 10.055 10.357 1.00 16.87 C ATOM 3245 CG TYR C 140 2.674 9.300 10.891 1.00 12.61 C ATOM 3246 CD1 TYR C 140 2.521 8.093 11.003 1.00 19.13 C ATOM 3247 CD2 TYR C 140 1.410 10.025 11.225 1.00 16.63 C ATOM 3248 CE1 TYR C 140 1.365 7.496 11.459 1.00 21.26 C ATOM 3249 CE2 TYR C 140 0.269 9.420 11.748 1.00 17.45 C ATOM 3250 CZ TYR C 140 0.153 8.203 11.775 1.00 14.84 C ATOM 3251 OH TYR C 140 -0.838 7.429 12.277 1.00 15.53 O ATOM 3252 N ARG C 141 6.450 11.994 10.246 1.00 20.34 N ATOM 3253 CA ARG C 141 7.886 11.986 10.168 1.00 25.59 C ATOM 3254 C ARG C 141 8.484 13.451 9.626 1.00 21.46 C ATOM 3255 O ARG C 141 7.587 13.891 9.012 1.00 24.60 O ATOM 3256 CB ARG C 141 8.511 10.698 9.627 1.00 27.67 C ATOM 3257 CG ARG C 141 8.124 10.586 8.132 1.00 20.44 C ATOM 3258 CD ARG C 141 8.972 9.192 7.851 1.00 27.35 C ATOM 3259 NE ARG C 141 8.521 8.970 6.409 1.00 21.57 N ATOM 3260 CZ ARG C 141 9.349 8.234 5.557 1.00 17.72 C ATOM 3261 NH1 ARG C 141 10.182 7.400 5.980 1.00 16.11 N ATOM 3262 NH2 ARG C 141 8.583 8.168 4.338 1.00 19.55 N ATOM 3263 OXT ARG C 141 9.695 13.488 9.645 1.00 22.97 O TER 3264 ARG C 141 ATOM 3265 N VAL D 1 -8.916 -20.986 -1.208 1.00 44.53 N ATOM 3266 CA VAL D 1 -8.728 -19.973 0.230 1.00 40.54 C ATOM 3267 C VAL D 1 -9.597 -21.119 1.649 1.00 54.57 C ATOM 3268 O VAL D 1 -10.511 -21.747 0.927 1.00 46.03 O ATOM 3269 CB VAL D 1 -9.741 -18.620 0.365 1.00 59.62 C ATOM 3270 CG1 VAL D 1 -8.976 -17.356 -0.533 1.00 56.25 C ATOM 3271 CG2 VAL D 1 -10.766 -18.689 -0.199 1.00 44.49 C ATOM 3272 N HIS D 2 -9.359 -20.204 2.359 1.00 54.55 N ATOM 3273 CA HIS D 2 -10.028 -20.478 3.617 1.00 76.16 C ATOM 3274 C HIS D 2 -11.503 -19.997 4.189 1.00 40.79 C ATOM 3275 O HIS D 2 -10.949 -18.900 5.117 1.00 42.23 O ATOM 3276 CB HIS D 2 -8.550 -21.746 4.671 1.00 61.25 C ATOM 3277 CG HIS D 2 -9.111 -22.384 5.289 1.00 73.35 C ATOM 3278 ND1 HIS D 2 -9.292 -20.744 7.139 1.00 63.32 N ATOM 3279 CD2 HIS D 2 -10.298 -23.586 6.052 1.00 68.03 C ATOM 3280 CE1 HIS D 2 -10.663 -21.227 8.362 1.00 55.48 C ATOM 3281 NE2 HIS D 2 -10.906 -22.743 7.235 1.00 54.14 N ATOM 3282 N LEU D 3 -12.538 -20.903 4.013 1.00 31.51 N ATOM 3283 CA LEU D 3 -13.638 -20.047 4.223 1.00 32.74 C ATOM 3284 C LEU D 3 -13.624 -20.741 5.723 1.00 43.55 C ATOM 3285 O LEU D 3 -14.592 -22.168 5.344 1.00 38.09 O ATOM 3286 CB LEU D 3 -14.958 -19.886 3.451 1.00 39.97 C ATOM 3287 CG LEU D 3 -14.306 -18.748 2.457 1.00 33.25 C ATOM 3288 CD1 LEU D 3 -15.545 -18.399 1.653 1.00 35.36 C ATOM 3289 CD2 LEU D 3 -14.311 -17.477 2.906 1.00 43.98 C ATOM 3290 N THR D 4 -14.873 -20.575 6.573 1.00 40.52 N ATOM 3291 CA THR D 4 -15.571 -21.118 7.446 1.00 35.01 C ATOM 3292 C THR D 4 -16.965 -21.835 7.057 1.00 36.50 C ATOM 3293 O THR D 4 -17.217 -21.032 5.924 1.00 26.93 O ATOM 3294 CB THR D 4 -15.866 -20.187 8.979 1.00 42.32 C ATOM 3295 OG1 THR D 4 -16.874 -19.360 8.569 1.00 35.61 O ATOM 3296 CG2 THR D 4 -14.805 -19.826 9.491 1.00 41.74 C ATOM 3297 N PRO D 5 -17.421 -22.638 7.348 1.00 38.01 N ATOM 3298 CA PRO D 5 -18.819 -22.801 6.165 1.00 45.26 C ATOM 3299 C PRO D 5 -19.967 -21.905 6.477 1.00 40.88 C ATOM 3300 O PRO D 5 -20.833 -21.591 5.783 1.00 35.71 O ATOM 3301 CB PRO D 5 -19.489 -24.074 7.971 1.00 80.12 C ATOM 3302 CG PRO D 5 -18.622 -24.429 8.450 1.00 36.53 C ATOM 3303 CD PRO D 5 -17.099 -23.867 8.283 1.00 38.83 C ATOM 3304 N GLU D 6 -19.807 -20.993 7.524 1.00 38.95 N ATOM 3305 CA GLU D 6 -20.826 -20.251 7.892 1.00 54.36 C ATOM 3306 C GLU D 6 -20.257 -18.491 6.516 1.00 29.53 C ATOM 3307 O GLU D 6 -21.186 -18.231 6.189 1.00 34.33 O ATOM 3308 CB GLU D 6 -20.808 -19.128 9.200 1.00 67.37 C ATOM 3309 CG GLU D 6 -20.143 -19.295 9.841 1.00 68.32 C ATOM 3310 CD GLU D 6 -19.833 -20.908 10.929 1.00 80.07 C ATOM 3311 OE1 GLU D 6 -19.263 -21.552 10.554 1.00 62.33 O ATOM 3312 OE2 GLU D 6 -17.422 -20.947 9.979 1.00 75.27 O ATOM 3313 N GLU D 7 -19.046 -18.647 6.494 1.00 32.30 N ATOM 3314 CA GLU D 7 -18.571 -17.615 5.450 1.00 26.92 C ATOM 3315 C GLU D 7 -19.016 -18.399 3.955 1.00 36.61 C ATOM 3316 O GLU D 7 -19.572 -17.530 3.297 1.00 31.61 O ATOM 3317 CB GLU D 7 -17.035 -17.606 5.380 1.00 22.74 C ATOM 3318 CG GLU D 7 -16.644 -16.558 6.886 1.00 25.68 C ATOM 3319 CD GLU D 7 -15.325 -16.832 6.956 1.00 21.07 C ATOM 3320 OE1 GLU D 7 -14.977 -15.445 7.269 1.00 41.17 O ATOM 3321 OE2 GLU D 7 -14.302 -17.526 6.337 1.00 26.19 O ATOM 3322 N LYS D 8 -18.754 -19.547 3.890 1.00 24.35 N ATOM 3323 CA LYS D 8 -19.098 -20.158 2.364 1.00 27.18 C ATOM 3324 C LYS D 8 -20.384 -20.203 2.052 1.00 23.43 C ATOM 3325 O LYS D 8 -21.074 -19.662 1.178 1.00 23.08 O ATOM 3326 CB LYS D 8 -18.527 -21.857 2.829 1.00 28.41 C ATOM 3327 CG LYS D 8 -18.698 -21.991 1.053 1.00 48.31 C ATOM 3328 CD LYS D 8 -18.147 -23.072 0.880 1.00 69.34 C ATOM 3329 CE LYS D 8 -18.957 -23.705 -0.872 1.00 38.29 C ATOM 3330 NZ LYS D 8 -17.931 -25.269 -1.374 1.00 72.55 N ATOM 3331 N SER D 9 -21.307 -20.301 3.110 1.00 21.45 N ATOM 3332 CA SER D 9 -22.632 -20.010 2.800 1.00 23.49 C ATOM 3333 C SER D 9 -23.050 -18.608 2.651 1.00 32.73 C ATOM 3334 O SER D 9 -24.111 -18.558 1.973 1.00 27.24 O ATOM 3335 CB SER D 9 -23.425 -20.879 3.815 1.00 48.80 C ATOM 3336 OG SER D 9 -24.248 -20.636 4.597 1.00 54.12 O ATOM 3337 N ALA D 10 -22.340 -17.847 3.521 1.00 26.97 N ATOM 3338 CA ALA D 10 -23.067 -16.421 3.397 1.00 27.01 C ATOM 3339 C ALA D 10 -22.551 -15.974 1.781 1.00 23.29 C ATOM 3340 O ALA D 10 -23.475 -15.280 1.185 1.00 20.87 O ATOM 3341 CB ALA D 10 -22.056 -15.660 3.934 1.00 28.42 C ATOM 3342 N VAL D 11 -21.472 -16.449 1.276 1.00 31.33 N ATOM 3343 CA VAL D 11 -21.016 -15.993 -0.163 1.00 25.10 C ATOM 3344 C VAL D 11 -21.923 -16.557 -1.184 1.00 18.64 C ATOM 3345 O VAL D 11 -22.347 -15.774 -1.949 1.00 19.73 O ATOM 3346 CB VAL D 11 -19.580 -16.599 -0.312 1.00 18.52 C ATOM 3347 CG1 VAL D 11 -19.332 -16.430 -1.555 1.00 28.45 C ATOM 3348 CG2 VAL D 11 -18.563 -15.544 0.540 1.00 21.05 C ATOM 3349 N THR D 12 -22.095 -17.881 -0.865 1.00 19.99 N ATOM 3350 CA THR D 12 -23.012 -18.659 -2.043 1.00 26.25 C ATOM 3351 C THR D 12 -24.298 -18.196 -1.973 1.00 24.29 C ATOM 3352 O THR D 12 -25.087 -17.804 -3.054 1.00 26.52 O ATOM 3353 CB THR D 12 -23.024 -20.432 -1.285 1.00 24.72 C ATOM 3354 OG1 THR D 12 -21.642 -20.629 -1.920 1.00 32.38 O ATOM 3355 CG2 THR D 12 -24.127 -20.769 -2.067 1.00 56.05 C ATOM 3356 N ALA D 13 -24.939 -17.863 -0.966 1.00 25.46 N ATOM 3357 CA ALA D 13 -26.249 -17.368 -0.697 1.00 25.21 C ATOM 3358 C ALA D 13 -26.716 -16.016 -1.505 1.00 24.39 C ATOM 3359 O ALA D 13 -27.502 -15.783 -2.239 1.00 27.12 O ATOM 3360 CB ALA D 13 -26.840 -17.284 0.237 1.00 40.91 C ATOM 3361 N LEU D 14 -25.588 -15.038 -1.202 1.00 21.51 N ATOM 3362 CA LEU D 14 -25.805 -13.895 -1.844 1.00 19.28 C ATOM 3363 C LEU D 14 -25.557 -13.900 -3.355 1.00 20.58 C ATOM 3364 O LEU D 14 -26.325 -13.141 -4.012 1.00 19.87 O ATOM 3365 CB LEU D 14 -24.748 -12.802 -1.037 1.00 18.39 C ATOM 3366 CG LEU D 14 -24.944 -11.344 -1.539 1.00 32.12 C ATOM 3367 CD1 LEU D 14 -25.966 -10.962 -0.374 1.00 41.26 C ATOM 3368 CD2 LEU D 14 -23.927 -10.587 -1.223 1.00 34.27 C ATOM 3369 N TRP D 15 -24.663 -14.787 -3.692 1.00 16.79 N ATOM 3370 CA TRP D 15 -24.253 -14.609 -5.178 1.00 13.47 C ATOM 3371 C TRP D 15 -25.414 -15.354 -5.958 1.00 22.23 C ATOM 3372 O TRP D 15 -25.691 -14.922 -7.051 1.00 22.75 O ATOM 3373 CB TRP D 15 -23.003 -15.504 -5.278 1.00 17.27 C ATOM 3374 CG TRP D 15 -22.390 -15.264 -6.607 1.00 18.39 C ATOM 3375 CD1 TRP D 15 -22.417 -16.024 -7.714 1.00 29.85 C ATOM 3376 CD2 TRP D 15 -21.683 -13.937 -6.966 1.00 19.14 C ATOM 3377 NE1 TRP D 15 -21.775 -15.472 -8.770 1.00 25.67 N ATOM 3378 CE2 TRP D 15 -21.205 -14.132 -8.458 1.00 18.90 C ATOM 3379 CE3 TRP D 15 -21.251 -12.883 -6.227 1.00 24.35 C ATOM 3380 CZ2 TRP D 15 -20.568 -13.098 -9.104 1.00 22.83 C ATOM 3381 CZ3 TRP D 15 -20.364 -11.928 -6.894 1.00 24.62 C ATOM 3382 CH2 TRP D 15 -20.127 -12.198 -8.397 1.00 30.44 C ATOM 3383 N GLY D 16 -26.279 -16.244 -5.358 1.00 23.06 N ATOM 3384 CA GLY D 16 -27.474 -16.657 -6.225 1.00 23.16 C ATOM 3385 C GLY D 16 -28.300 -15.570 -6.485 1.00 26.54 C ATOM 3386 O GLY D 16 -29.203 -15.791 -7.472 1.00 26.11 O ATOM 3387 N LYS D 17 -28.475 -14.360 -5.980 1.00 18.84 N ATOM 3388 CA LYS D 17 -29.272 -13.270 -5.974 1.00 24.96 C ATOM 3389 C LYS D 17 -29.000 -12.271 -6.961 1.00 22.00 C ATOM 3390 O LYS D 17 -29.037 -11.079 -7.508 1.00 24.63 O ATOM 3391 CB LYS D 17 -29.587 -12.449 -4.588 1.00 28.33 C ATOM 3392 CG LYS D 17 -30.108 -13.362 -3.795 1.00 27.71 C ATOM 3393 CD LYS D 17 -30.415 -12.422 -2.822 1.00 33.37 C ATOM 3394 CE LYS D 17 -30.390 -12.386 -1.399 1.00 43.68 C ATOM 3395 NZ LYS D 17 -31.873 -11.072 -1.369 1.00 36.22 N ATOM 3396 N VAL D 18 -27.474 -12.385 -7.448 1.00 33.39 N ATOM 3397 CA VAL D 18 -26.489 -11.309 -8.320 1.00 24.51 C ATOM 3398 C VAL D 18 -27.096 -11.570 -9.917 1.00 27.24 C ATOM 3399 O VAL D 18 -26.940 -12.785 -10.011 1.00 26.54 O ATOM 3400 CB VAL D 18 -25.245 -11.428 -8.185 1.00 31.98 C ATOM 3401 CG1 VAL D 18 -24.320 -10.896 -8.917 1.00 31.25 C ATOM 3402 CG2 VAL D 18 -24.647 -11.020 -6.542 1.00 22.12 C ATOM 3403 N ASN D 19 -27.428 -10.545 -10.401 1.00 25.81 N ATOM 3404 CA ASN D 19 -27.299 -10.403 -11.802 1.00 27.55 C ATOM 3405 C ASN D 19 -26.159 -10.452 -12.333 1.00 24.31 C ATOM 3406 O ASN D 19 -25.632 -9.111 -12.336 1.00 20.67 O ATOM 3407 CB ASN D 19 -28.399 -9.524 -12.285 1.00 40.49 C ATOM 3408 CG ASN D 19 -28.856 -10.175 -13.808 1.00 44.62 C ATOM 3409 OD1 ASN D 19 -27.731 -9.601 -14.786 1.00 45.68 O ATOM 3410 ND2 ASN D 19 -29.658 -8.823 -14.484 1.00 50.78 N ATOM 3411 N VAL D 20 -25.460 -11.215 -12.835 1.00 22.82 N ATOM 3412 CA VAL D 20 -23.926 -10.940 -13.321 1.00 40.38 C ATOM 3413 C VAL D 20 -23.628 -9.968 -13.933 1.00 37.93 C ATOM 3414 O VAL D 20 -22.741 -9.105 -14.256 1.00 32.18 O ATOM 3415 CB VAL D 20 -22.524 -12.140 -14.217 1.00 63.33 C ATOM 3416 CG1 VAL D 20 -22.926 -12.781 -13.318 1.00 54.80 C ATOM 3417 CG2 VAL D 20 -23.373 -13.095 -12.306 1.00 34.72 C ATOM 3418 N ASP D 21 -24.469 -9.996 -15.091 1.00 36.66 N ATOM 3419 CA ASP D 21 -24.588 -8.635 -15.872 1.00 54.12 C ATOM 3420 C ASP D 21 -24.717 -7.685 -15.749 1.00 46.84 C ATOM 3421 O ASP D 21 -23.610 -6.686 -15.937 1.00 32.53 O ATOM 3422 CB ASP D 21 -25.603 -8.934 -17.011 1.00 60.03 C ATOM 3423 CG ASP D 21 -25.523 -10.565 -17.717 1.00 75.30 C ATOM 3424 OD1 ASP D 21 -24.242 -11.481 -17.893 1.00 51.52 O ATOM 3425 OD2 ASP D 21 -25.948 -10.502 -18.826 1.00 64.70 O ATOM 3426 N GLU D 22 -25.623 -7.162 -14.906 1.00 27.09 N ATOM 3427 CA GLU D 22 -25.919 -5.886 -14.386 1.00 23.15 C ATOM 3428 C GLU D 22 -24.427 -5.530 -13.395 1.00 19.08 C ATOM 3429 O GLU D 22 -24.197 -4.407 -13.172 1.00 21.80 O ATOM 3430 CB GLU D 22 -27.280 -5.934 -13.774 1.00 35.52 C ATOM 3431 CG GLU D 22 -27.211 -5.635 -13.083 1.00 68.74 C ATOM 3432 CD GLU D 22 -28.960 -4.398 -12.033 1.00 80.12 C ATOM 3433 OE1 GLU D 22 -29.624 -5.184 -11.024 1.00 61.13 O ATOM 3434 OE2 GLU D 22 -29.463 -4.100 -13.136 1.00 73.88 O ATOM 3435 N VAL D 23 -24.426 -6.315 -12.392 1.00 20.94 N ATOM 3436 CA VAL D 23 -23.348 -6.099 -11.326 1.00 17.82 C ATOM 3437 C VAL D 23 -21.966 -6.004 -12.061 1.00 15.07 C ATOM 3438 O VAL D 23 -21.155 -5.154 -11.664 1.00 21.11 O ATOM 3439 CB VAL D 23 -23.341 -7.268 -10.216 1.00 18.64 C ATOM 3440 CG1 VAL D 23 -22.169 -7.160 -9.566 1.00 21.45 C ATOM 3441 CG2 VAL D 23 -24.676 -6.892 -9.537 1.00 21.02 C ATOM 3442 N GLY D 24 -21.629 -6.780 -12.936 1.00 12.96 N ATOM 3443 CA GLY D 24 -20.442 -6.846 -13.669 1.00 18.39 C ATOM 3444 C GLY D 24 -20.261 -5.559 -14.312 1.00 16.60 C ATOM 3445 O GLY D 24 -19.233 -4.768 -14.272 1.00 15.31 O ATOM 3446 N GLY D 25 -21.132 -4.866 -15.117 1.00 17.32 N ATOM 3447 CA GLY D 25 -21.127 -3.499 -15.792 1.00 16.45 C ATOM 3448 C GLY D 25 -21.008 -2.525 -14.804 1.00 12.17 C ATOM 3449 O GLY D 25 -20.114 -1.633 -15.055 1.00 21.20 O ATOM 3450 N GLU D 26 -21.690 -2.622 -13.683 1.00 15.97 N ATOM 3451 CA GLU D 26 -21.600 -1.628 -12.730 1.00 13.66 C ATOM 3452 C GLU D 26 -20.044 -1.546 -12.031 1.00 11.75 C ATOM 3453 O GLU D 26 -19.572 -0.450 -11.864 1.00 13.88 O ATOM 3454 CB GLU D 26 -22.662 -1.686 -11.514 1.00 18.62 C ATOM 3455 CG GLU D 26 -23.979 0.008 -11.890 1.00 39.81 C ATOM 3456 CD GLU D 26 -22.700 -0.395 -10.542 1.00 31.77 C ATOM 3457 OE1 GLU D 26 -23.368 1.259 -10.392 1.00 34.99 O ATOM 3458 OE2 GLU D 26 -24.210 -0.810 -9.865 1.00 54.79 O ATOM 3459 N ALA D 27 -19.673 -2.710 -11.707 1.00 12.60 N ATOM 3460 CA ALA D 27 -18.269 -2.901 -11.078 1.00 17.85 C ATOM 3461 C ALA D 27 -17.180 -2.341 -11.937 1.00 15.51 C ATOM 3462 O ALA D 27 -16.331 -1.489 -11.550 1.00 14.90 O ATOM 3463 CB ALA D 27 -18.048 -4.225 -10.534 1.00 15.58 C ATOM 3464 N LEU D 28 -17.183 -2.729 -13.203 1.00 16.04 N ATOM 3465 CA LEU D 28 -16.186 -2.309 -14.163 1.00 11.08 C ATOM 3466 C LEU D 28 -16.248 -0.897 -14.292 1.00 13.51 C ATOM 3467 O LEU D 28 -15.238 -0.124 -14.487 1.00 14.05 O ATOM 3468 CB LEU D 28 -16.275 -3.066 -15.497 1.00 12.20 C ATOM 3469 CG LEU D 28 -14.973 -2.764 -16.433 1.00 28.52 C ATOM 3470 CD1 LEU D 28 -13.779 -3.087 -15.679 1.00 36.95 C ATOM 3471 CD2 LEU D 28 -15.242 -3.401 -17.606 1.00 34.25 C ATOM 3472 N GLY D 29 -17.518 -0.283 -14.622 1.00 12.33 N ATOM 3473 CA GLY D 29 -17.751 1.088 -14.735 1.00 13.25 C ATOM 3474 C GLY D 29 -17.136 1.954 -13.603 1.00 12.50 C ATOM 3475 O GLY D 29 -16.531 3.012 -13.890 1.00 16.69 O ATOM 3476 N ARG D 30 -17.539 1.491 -12.441 1.00 15.15 N ATOM 3477 CA ARG D 30 -17.026 2.243 -11.337 1.00 17.77 C ATOM 3478 C ARG D 30 -15.527 2.171 -11.160 1.00 14.35 C ATOM 3479 O ARG D 30 -14.968 3.218 -10.798 1.00 14.59 O ATOM 3480 CB ARG D 30 -17.892 1.792 -10.040 1.00 15.53 C ATOM 3481 CG ARG D 30 -19.275 2.313 -9.820 1.00 16.65 C ATOM 3482 CD ARG D 30 -19.931 1.839 -8.709 1.00 28.01 C ATOM 3483 NE ARG D 30 -21.099 2.164 -8.522 1.00 23.10 N ATOM 3484 CZ ARG D 30 -21.731 3.109 -7.922 1.00 16.06 C ATOM 3485 NH1 ARG D 30 -22.965 3.397 -7.723 1.00 17.46 N ATOM 3486 NH2 ARG D 30 -21.050 3.807 -6.871 1.00 10.32 N ATOM 3487 N LEU D 31 -14.961 1.160 -11.442 1.00 15.53 N ATOM 3488 CA LEU D 31 -13.554 1.103 -11.546 1.00 14.63 C ATOM 3489 C LEU D 31 -12.894 2.305 -12.254 1.00 16.67 C ATOM 3490 O LEU D 31 -11.964 2.890 -11.986 1.00 15.33 O ATOM 3491 CB LEU D 31 -12.961 -0.342 -11.951 1.00 12.02 C ATOM 3492 CG LEU D 31 -11.524 -0.502 -11.963 1.00 17.81 C ATOM 3493 CD1 LEU D 31 -10.867 -0.718 -10.607 1.00 18.94 C ATOM 3494 CD2 LEU D 31 -11.112 -1.549 -12.889 1.00 18.38 C ATOM 3495 N LEU D 32 -13.461 2.265 -13.601 1.00 8.95 N ATOM 3496 CA LEU D 32 -13.016 3.232 -14.475 1.00 13.61 C ATOM 3497 C LEU D 32 -13.249 4.589 -14.109 1.00 13.07 C ATOM 3498 O LEU D 32 -12.457 5.593 -14.562 1.00 15.98 O ATOM 3499 CB LEU D 32 -13.512 2.944 -15.805 1.00 14.00 C ATOM 3500 CG LEU D 32 -12.943 1.707 -16.403 1.00 23.55 C ATOM 3501 CD1 LEU D 32 -13.857 1.407 -17.761 1.00 25.80 C ATOM 3502 CD2 LEU D 32 -11.759 1.263 -16.551 1.00 26.67 C ATOM 3503 N VAL D 33 -14.340 4.892 -13.280 1.00 13.83 N ATOM 3504 CA VAL D 33 -14.717 6.296 -12.776 1.00 13.13 C ATOM 3505 C VAL D 33 -13.702 6.655 -11.697 1.00 16.82 C ATOM 3506 O VAL D 33 -13.288 7.735 -11.589 1.00 15.10 O ATOM 3507 CB VAL D 33 -16.181 6.271 -12.468 1.00 11.59 C ATOM 3508 CG1 VAL D 33 -16.396 7.592 -11.833 1.00 21.42 C ATOM 3509 CG2 VAL D 33 -16.955 6.215 -13.830 1.00 18.60 C ATOM 3510 N VAL D 34 -13.788 5.741 -10.696 1.00 12.61 N ATOM 3511 CA VAL D 34 -13.205 6.102 -9.422 1.00 13.03 C ATOM 3512 C VAL D 34 -11.709 6.268 -9.501 1.00 15.88 C ATOM 3513 O VAL D 34 -11.074 6.862 -8.702 1.00 16.40 O ATOM 3514 CB VAL D 34 -13.754 5.224 -8.226 1.00 15.07 C ATOM 3515 CG1 VAL D 34 -13.038 5.375 -6.973 1.00 13.90 C ATOM 3516 CG2 VAL D 34 -15.220 5.422 -8.063 1.00 18.23 C ATOM 3517 N TYR D 35 -11.136 5.248 -10.266 1.00 11.62 N ATOM 3518 CA TYR D 35 -9.629 5.095 -10.409 1.00 14.47 C ATOM 3519 C TYR D 35 -9.420 5.204 -11.973 1.00 16.31 C ATOM 3520 O TYR D 35 -9.060 4.177 -12.606 1.00 17.14 O ATOM 3521 CB TYR D 35 -9.241 3.705 -9.961 1.00 14.04 C ATOM 3522 CG TYR D 35 -9.664 3.371 -8.620 1.00 16.50 C ATOM 3523 CD1 TYR D 35 -9.076 4.102 -7.605 1.00 16.28 C ATOM 3524 CD2 TYR D 35 -10.520 2.540 -8.304 1.00 21.92 C ATOM 3525 CE1 TYR D 35 -9.315 3.966 -6.162 1.00 18.51 C ATOM 3526 CE2 TYR D 35 -10.873 2.362 -6.966 1.00 25.13 C ATOM 3527 CZ TYR D 35 -10.254 3.015 -5.920 1.00 19.91 C ATOM 3528 OH TYR D 35 -10.861 2.820 -4.629 1.00 21.91 O ATOM 3529 N PRO D 36 -9.392 6.463 -12.417 1.00 14.59 N ATOM 3530 CA PRO D 36 -9.346 6.600 -14.037 1.00 16.73 C ATOM 3531 C PRO D 36 -8.099 6.185 -14.723 1.00 13.23 C ATOM 3532 O PRO D 36 -8.183 5.907 -15.944 1.00 15.17 O ATOM 3533 CB PRO D 36 -9.750 8.096 -14.119 1.00 24.30 C ATOM 3534 CG PRO D 36 -9.458 8.680 -12.746 1.00 25.67 C ATOM 3535 CD PRO D 36 -9.575 7.632 -11.872 1.00 17.58 C ATOM 3536 N TRP D 37 -6.974 5.929 -13.940 1.00 13.75 N ATOM 3537 CA TRP D 37 -5.897 5.496 -14.615 1.00 15.13 C ATOM 3538 C TRP D 37 -5.961 4.094 -15.089 1.00 14.32 C ATOM 3539 O TRP D 37 -5.292 3.617 -16.098 1.00 19.70 O ATOM 3540 CB TRP D 37 -4.642 5.522 -13.687 1.00 13.13 C ATOM 3541 CG TRP D 37 -4.793 4.873 -12.298 1.00 8.65 C ATOM 3542 CD1 TRP D 37 -4.494 3.633 -11.929 1.00 13.10 C ATOM 3543 CD2 TRP D 37 -5.201 5.532 -10.999 1.00 14.59 C ATOM 3544 NE1 TRP D 37 -4.604 3.407 -10.644 1.00 17.65 N ATOM 3545 CE2 TRP D 37 -5.232 4.530 -10.117 1.00 16.05 C ATOM 3546 CE3 TRP D 37 -5.786 6.762 -10.728 1.00 11.20 C ATOM 3547 CZ2 TRP D 37 -5.541 4.775 -8.606 1.00 26.88 C ATOM 3548 CZ3 TRP D 37 -6.287 7.021 -9.443 1.00 11.28 C ATOM 3549 CH2 TRP D 37 -5.996 6.001 -8.551 1.00 16.90 C ATOM 3550 N THR D 38 -6.984 3.333 -14.581 1.00 16.64 N ATOM 3551 CA THR D 38 -7.362 1.995 -14.995 1.00 14.14 C ATOM 3552 C THR D 38 -7.792 2.033 -16.539 1.00 18.16 C ATOM 3553 O THR D 38 -7.920 0.930 -17.161 1.00 16.15 O ATOM 3554 CB THR D 38 -8.440 1.318 -14.155 1.00 11.09 C ATOM 3555 OG1 THR D 38 -9.618 2.008 -14.130 1.00 14.48 O ATOM 3556 CG2 THR D 38 -7.730 1.043 -12.892 1.00 16.14 C ATOM 3557 N GLN D 39 -8.345 3.275 -16.962 1.00 12.07 N ATOM 3558 CA GLN D 39 -8.833 3.256 -18.352 1.00 10.72 C ATOM 3559 C GLN D 39 -7.732 3.116 -19.349 1.00 16.84 C ATOM 3560 O GLN D 39 -7.933 2.801 -20.471 1.00 21.52 O ATOM 3561 CB GLN D 39 -9.205 4.786 -18.517 1.00 13.63 C ATOM 3562 CG GLN D 39 -10.419 4.929 -17.639 1.00 17.04 C ATOM 3563 CD GLN D 39 -10.861 6.282 -17.855 1.00 23.47 C ATOM 3564 OE1 GLN D 39 -10.432 7.200 -18.833 1.00 25.04 O ATOM 3565 NE2 GLN D 39 -11.740 6.840 -16.888 1.00 28.38 N ATOM 3566 N ARG D 40 -6.331 2.999 -19.002 1.00 12.32 N ATOM 3567 CA ARG D 40 -5.095 2.844 -19.730 1.00 16.79 C ATOM 3568 C ARG D 40 -5.433 1.605 -20.411 1.00 17.58 C ATOM 3569 O ARG D 40 -4.682 1.315 -21.633 1.00 20.86 O ATOM 3570 CB ARG D 40 -3.966 2.461 -18.813 1.00 22.83 C ATOM 3571 CG ARG D 40 -3.694 1.460 -18.189 1.00 37.26 C ATOM 3572 CD ARG D 40 -2.418 1.834 -17.304 1.00 23.75 C ATOM 3573 NE ARG D 40 -1.279 2.091 -17.831 1.00 28.71 N ATOM 3574 CZ ARG D 40 -0.609 1.176 -18.760 1.00 41.77 C ATOM 3575 NH1 ARG D 40 -0.700 0.067 -18.486 1.00 31.05 N ATOM 3576 NH2 ARG D 40 0.625 1.911 -19.038 1.00 37.79 N ATOM 3577 N PHE D 41 -6.207 0.540 -20.107 1.00 15.17 N ATOM 3578 CA PHE D 41 -6.336 -0.770 -20.711 1.00 16.55 C ATOM 3579 C PHE D 41 -7.612 -0.691 -21.880 1.00 20.00 C ATOM 3580 O PHE D 41 -7.651 -1.868 -22.265 1.00 23.52 O ATOM 3581 CB PHE D 41 -6.568 -1.995 -19.811 1.00 13.75 C ATOM 3582 CG PHE D 41 -5.344 -2.033 -18.714 1.00 12.41 C ATOM 3583 CD1 PHE D 41 -5.592 -1.379 -17.449 1.00 16.97 C ATOM 3584 CD2 PHE D 41 -4.233 -2.496 -19.084 1.00 18.05 C ATOM 3585 CE1 PHE D 41 -4.371 -1.693 -16.818 1.00 23.07 C ATOM 3586 CE2 PHE D 41 -3.008 -2.505 -18.298 1.00 24.82 C ATOM 3587 CZ PHE D 41 -3.359 -2.006 -17.025 1.00 25.09 C ATOM 3588 N PHE D 42 -8.192 0.386 -21.832 1.00 15.21 N ATOM 3589 CA PHE D 42 -9.461 0.148 -22.436 1.00 14.18 C ATOM 3590 C PHE D 42 -9.645 1.104 -23.586 1.00 19.41 C ATOM 3591 O PHE D 42 -10.690 1.871 -23.828 1.00 18.71 O ATOM 3592 CB PHE D 42 -10.613 0.298 -21.592 1.00 21.58 C ATOM 3593 CG PHE D 42 -10.602 -1.034 -20.710 1.00 17.63 C ATOM 3594 CD1 PHE D 42 -10.145 -0.545 -19.164 1.00 20.37 C ATOM 3595 CD2 PHE D 42 -11.012 -2.318 -21.048 1.00 20.14 C ATOM 3596 CE1 PHE D 42 -10.225 -1.848 -18.434 1.00 27.02 C ATOM 3597 CE2 PHE D 42 -10.887 -3.301 -20.223 1.00 27.08 C ATOM 3598 CZ PHE D 42 -10.474 -2.972 -18.757 1.00 18.28 C ATOM 3599 N GLU D 43 -8.375 1.400 -24.058 1.00 32.32 N ATOM 3600 CA GLU D 43 -8.561 2.747 -24.914 1.00 33.61 C ATOM 3601 C GLU D 43 -9.574 2.656 -26.563 1.00 12.75 C ATOM 3602 O GLU D 43 -9.904 3.604 -26.926 1.00 26.94 O ATOM 3603 CB GLU D 43 -7.590 2.897 -25.572 1.00 65.31 C ATOM 3604 CG GLU D 43 -6.882 2.859 -25.890 1.00 43.00 C ATOM 3605 CD GLU D 43 -6.060 4.011 -24.596 1.00 32.00 C ATOM 3606 OE1 GLU D 43 -6.764 5.450 -24.611 1.00 29.89 O ATOM 3607 OE2 GLU D 43 -4.721 4.728 -24.142 1.00 58.55 O ATOM 3608 N SER D 44 -9.605 1.289 -26.702 1.00 19.02 N ATOM 3609 CA SER D 44 -10.333 0.707 -27.924 1.00 25.67 C ATOM 3610 C SER D 44 -11.604 0.898 -27.554 1.00 26.66 C ATOM 3611 O SER D 44 -12.646 0.619 -28.203 1.00 32.13 O ATOM 3612 CB SER D 44 -10.139 -0.585 -28.237 1.00 42.87 C ATOM 3613 OG SER D 44 -10.504 -1.572 -27.556 1.00 44.29 O ATOM 3614 N PHE D 45 -12.328 1.230 -26.297 1.00 27.34 N ATOM 3615 CA PHE D 45 -13.753 1.140 -25.852 1.00 24.93 C ATOM 3616 C PHE D 45 -14.575 2.593 -26.282 1.00 23.30 C ATOM 3617 O PHE D 45 -15.815 2.187 -25.861 1.00 31.71 O ATOM 3618 CB PHE D 45 -13.703 0.919 -24.328 1.00 26.07 C ATOM 3619 CG PHE D 45 -13.645 -0.527 -24.075 1.00 19.10 C ATOM 3620 CD1 PHE D 45 -14.209 -0.901 -22.815 1.00 43.96 C ATOM 3621 CD2 PHE D 45 -13.155 -1.495 -24.645 1.00 26.17 C ATOM 3622 CE1 PHE D 45 -14.066 -2.469 -22.506 1.00 29.49 C ATOM 3623 CE2 PHE D 45 -12.912 -2.782 -24.307 1.00 32.75 C ATOM 3624 CZ PHE D 45 -13.459 -3.397 -23.316 1.00 28.04 C ATOM 3625 N GLY D 46 -14.104 3.279 -26.525 1.00 35.08 N ATOM 3626 CA GLY D 46 -14.935 4.262 -26.788 1.00 34.51 C ATOM 3627 C GLY D 46 -15.024 5.841 -25.884 1.00 32.00 C ATOM 3628 O GLY D 46 -13.703 5.710 -25.436 1.00 42.65 O ATOM 3629 N ASP D 47 -16.270 6.088 -25.501 1.00 33.75 N ATOM 3630 CA ASP D 47 -15.315 7.928 -25.257 1.00 43.29 C ATOM 3631 C ASP D 47 -15.918 7.002 -23.097 1.00 24.69 C ATOM 3632 O ASP D 47 -17.090 6.340 -23.091 1.00 33.08 O ATOM 3633 CB ASP D 47 -17.246 8.111 -25.348 1.00 48.49 C ATOM 3634 CG ASP D 47 -17.316 9.636 -24.481 1.00 50.77 C ATOM 3635 OD1 ASP D 47 -18.624 9.821 -24.553 1.00 57.75 O ATOM 3636 OD2 ASP D 47 -16.233 10.163 -24.247 1.00 45.03 O ATOM 3637 N LEU D 48 -14.887 7.498 -22.782 1.00 25.73 N ATOM 3638 CA LEU D 48 -14.700 7.013 -21.145 1.00 29.97 C ATOM 3639 C LEU D 48 -14.723 8.417 -20.213 1.00 32.06 C ATOM 3640 O LEU D 48 -13.912 8.444 -19.219 1.00 36.43 O ATOM 3641 CB LEU D 48 -13.472 6.468 -21.109 1.00 41.80 C ATOM 3642 CG LEU D 48 -13.862 5.004 -21.634 1.00 22.03 C ATOM 3643 CD1 LEU D 48 -12.363 4.146 -21.342 1.00 37.56 C ATOM 3644 CD2 LEU D 48 -15.085 4.189 -21.243 1.00 29.67 C ATOM 3645 N SER D 49 -15.191 9.523 -21.130 1.00 38.40 N ATOM 3646 CA SER D 49 -14.387 10.788 -20.677 1.00 43.30 C ATOM 3647 C SER D 49 -15.473 11.721 -19.486 1.00 46.97 C ATOM 3648 O SER D 49 -14.763 12.145 -18.356 1.00 46.32 O ATOM 3649 CB SER D 49 -14.644 11.939 -21.771 1.00 47.25 C ATOM 3650 OG SER D 49 -16.017 12.123 -22.081 1.00 49.74 O ATOM 3651 N THR D 50 -16.621 11.041 -19.530 1.00 43.91 N ATOM 3652 CA THR D 50 -16.855 11.313 -17.860 1.00 36.95 C ATOM 3653 C THR D 50 -18.023 10.172 -17.341 1.00 36.10 C ATOM 3654 O THR D 50 -18.171 9.157 -18.076 1.00 28.99 O ATOM 3655 CB THR D 50 -18.590 12.293 -18.547 1.00 37.26 C ATOM 3656 OG1 THR D 50 -19.750 11.618 -19.297 1.00 36.38 O ATOM 3657 CG2 THR D 50 -18.025 13.508 -19.178 1.00 56.40 C ATOM 3658 N PRO D 51 -18.501 10.284 -16.193 1.00 37.42 N ATOM 3659 CA PRO D 51 -19.225 9.303 -15.560 1.00 32.59 C ATOM 3660 C PRO D 51 -20.269 8.625 -16.174 1.00 29.25 C ATOM 3661 O PRO D 51 -20.632 7.313 -16.333 1.00 26.15 O ATOM 3662 CB PRO D 51 -19.687 9.933 -14.153 1.00 37.41 C ATOM 3663 CG PRO D 51 -18.587 10.776 -13.939 1.00 36.57 C ATOM 3664 CD PRO D 51 -18.147 11.586 -15.357 1.00 42.54 C ATOM 3665 N ASP D 52 -21.166 9.545 -16.896 1.00 30.65 N ATOM 3666 CA ASP D 52 -22.575 8.738 -17.587 1.00 39.40 C ATOM 3667 C ASP D 52 -21.861 8.056 -18.864 1.00 56.69 C ATOM 3668 O ASP D 52 -22.611 7.193 -19.113 1.00 40.69 O ATOM 3669 CB ASP D 52 -23.192 10.048 -17.807 1.00 43.19 C ATOM 3670 CG ASP D 52 -24.003 11.080 -16.646 1.00 63.04 C ATOM 3671 OD1 ASP D 52 -23.975 10.324 -15.803 1.00 49.71 O ATOM 3672 OD2 ASP D 52 -21.902 12.263 -16.248 1.00 60.40 O ATOM 3673 N ALA D 53 -21.035 8.713 -19.489 1.00 26.05 N ATOM 3674 CA ALA D 53 -20.460 8.256 -20.648 1.00 33.75 C ATOM 3675 C ALA D 53 -19.850 6.612 -20.478 1.00 42.76 C ATOM 3676 O ALA D 53 -20.052 5.785 -20.744 1.00 38.58 O ATOM 3677 CB ALA D 53 -19.424 8.739 -21.252 1.00 40.18 C ATOM 3678 N VAL D 54 -18.829 6.696 -19.306 1.00 27.10 N ATOM 3679 CA VAL D 54 -18.358 5.224 -18.836 1.00 25.12 C ATOM 3680 C VAL D 54 -19.446 4.410 -18.467 1.00 26.50 C ATOM 3681 O VAL D 54 -19.614 3.128 -18.953 1.00 24.76 O ATOM 3682 CB VAL D 54 -17.388 5.607 -17.705 1.00 26.67 C ATOM 3683 CG1 VAL D 54 -17.066 4.042 -17.246 1.00 25.19 C ATOM 3684 CG2 VAL D 54 -16.359 6.289 -17.975 1.00 31.48 C ATOM 3685 N MET D 55 -20.628 4.739 -17.700 1.00 25.87 N ATOM 3686 CA MET D 55 -21.589 3.767 -17.229 1.00 29.84 C ATOM 3687 C MET D 55 -22.865 3.307 -18.556 1.00 35.52 C ATOM 3688 O MET D 55 -23.112 2.208 -18.285 1.00 32.07 O ATOM 3689 CB MET D 55 -22.456 4.472 -15.982 1.00 26.28 C ATOM 3690 CG MET D 55 -21.631 4.626 -15.056 1.00 36.16 C ATOM 3691 SD MET D 55 -20.389 3.558 -14.111 1.00 25.36 S ATOM 3692 CE MET D 55 -21.479 2.431 -13.702 1.00 19.21 C ATOM 3693 N GLY D 56 -22.639 4.442 -19.311 1.00 30.97 N ATOM 3694 CA GLY D 56 -23.658 3.737 -20.126 1.00 35.09 C ATOM 3695 C GLY D 56 -22.967 3.067 -21.283 1.00 44.75 C ATOM 3696 O GLY D 56 -23.331 2.815 -22.514 1.00 34.49 O ATOM 3697 N ASN D 57 -21.558 3.094 -21.617 1.00 25.90 N ATOM 3698 CA ASN D 57 -20.747 2.578 -22.658 1.00 29.86 C ATOM 3699 C ASN D 57 -21.034 1.130 -22.652 1.00 26.15 C ATOM 3700 O ASN D 57 -20.989 0.128 -21.968 1.00 26.55 O ATOM 3701 CB ASN D 57 -19.324 2.902 -22.444 1.00 30.42 C ATOM 3702 CG ASN D 57 -18.502 2.332 -23.503 1.00 23.49 C ATOM 3703 OD1 ASN D 57 -18.423 1.194 -24.009 1.00 31.02 O ATOM 3704 ND2 ASN D 57 -17.712 3.179 -23.808 1.00 27.30 N ATOM 3705 N PRO D 58 -21.467 0.671 -23.926 1.00 29.25 N ATOM 3706 CA PRO D 58 -21.926 -0.726 -24.096 1.00 25.97 C ATOM 3707 C PRO D 58 -20.503 -1.629 -24.124 1.00 16.05 C ATOM 3708 O PRO D 58 -20.837 -2.940 -23.655 1.00 24.61 O ATOM 3709 CB PRO D 58 -22.522 -0.927 -25.620 1.00 33.18 C ATOM 3710 CG PRO D 58 -21.947 0.977 -25.418 1.00 59.49 C ATOM 3711 CD PRO D 58 -21.892 1.180 -25.502 1.00 43.36 C ATOM 3712 N LYS D 59 -19.460 -1.283 -24.501 1.00 21.03 N ATOM 3713 CA LYS D 59 -18.361 -2.042 -24.450 1.00 25.38 C ATOM 3714 C LYS D 59 -17.715 -2.407 -22.856 1.00 17.84 C ATOM 3715 O LYS D 59 -17.308 -3.569 -22.731 1.00 21.39 O ATOM 3716 CB LYS D 59 -17.227 -1.661 -25.270 1.00 32.15 C ATOM 3717 CG LYS D 59 -17.383 -1.768 -26.732 1.00 48.59 C ATOM 3718 CD LYS D 59 -16.823 -1.145 -27.228 1.00 53.12 C ATOM 3719 CE LYS D 59 -15.877 -1.703 -28.754 1.00 53.54 C ATOM 3720 NZ LYS D 59 -16.728 -0.847 -29.838 1.00 62.98 N ATOM 3721 N VAL D 60 -18.099 -1.250 -22.201 1.00 18.98 N ATOM 3722 CA VAL D 60 -17.893 -1.490 -20.566 1.00 19.06 C ATOM 3723 C VAL D 60 -18.582 -2.535 -20.118 1.00 17.34 C ATOM 3724 O VAL D 60 -18.311 -3.436 -19.262 1.00 23.46 O ATOM 3725 CB VAL D 60 -17.740 -0.068 -19.973 1.00 21.26 C ATOM 3726 CG1 VAL D 60 -17.894 -0.452 -18.381 1.00 33.14 C ATOM 3727 CG2 VAL D 60 -16.838 0.852 -20.547 1.00 22.06 C ATOM 3728 N LYS D 61 -20.037 -2.374 -20.306 1.00 22.59 N ATOM 3729 CA LYS D 61 -21.055 -3.383 -19.935 1.00 26.15 C ATOM 3730 C LYS D 61 -20.810 -4.741 -20.319 1.00 17.30 C ATOM 3731 O LYS D 61 -20.683 -5.728 -19.595 1.00 21.45 O ATOM 3732 CB LYS D 61 -22.507 -2.996 -20.257 1.00 26.85 C ATOM 3733 CG LYS D 61 -22.914 -1.601 -19.668 1.00 38.21 C ATOM 3734 CD LYS D 61 -23.980 -1.298 -20.293 1.00 63.66 C ATOM 3735 CE LYS D 61 -25.073 -0.202 -19.530 1.00 68.06 C ATOM 3736 NZ LYS D 61 -26.116 0.022 -20.150 1.00 60.84 N ATOM 3737 N ALA D 62 -20.349 -4.906 -21.599 1.00 19.16 N ATOM 3738 CA ALA D 62 -20.005 -6.284 -22.177 1.00 20.58 C ATOM 3739 C ALA D 62 -18.862 -7.045 -21.486 1.00 20.27 C ATOM 3740 O ALA D 62 -18.872 -8.142 -21.107 1.00 20.37 O ATOM 3741 CB ALA D 62 -19.803 -6.090 -23.619 1.00 22.88 C ATOM 3742 N HIS D 63 -17.847 -6.087 -21.291 1.00 19.01 N ATOM 3743 CA HIS D 63 -16.655 -6.703 -20.657 1.00 22.19 C ATOM 3744 C HIS D 63 -16.866 -6.900 -19.133 1.00 18.77 C ATOM 3745 O HIS D 63 -16.263 -7.930 -18.702 1.00 19.91 O ATOM 3746 CB HIS D 63 -15.613 -5.996 -20.822 1.00 33.38 C ATOM 3747 CG HIS D 63 -13.969 -6.285 -20.598 1.00 22.34 C ATOM 3748 ND1 HIS D 63 -13.645 -7.369 -21.205 1.00 25.81 N ATOM 3749 CD2 HIS D 63 -13.423 -5.898 -19.324 1.00 33.81 C ATOM 3750 CE1 HIS D 63 -12.413 -7.623 -20.166 1.00 24.99 C ATOM 3751 NE2 HIS D 63 -12.303 -6.521 -19.735 1.00 32.42 N ATOM 3752 N GLY D 64 -17.554 -5.957 -18.637 1.00 15.38 N ATOM 3753 CA GLY D 64 -17.922 -6.237 -17.300 1.00 18.66 C ATOM 3754 C GLY D 64 -18.656 -7.558 -16.822 1.00 23.30 C ATOM 3755 O GLY D 64 -18.361 -8.374 -16.052 1.00 21.27 O ATOM 3756 N LYS D 65 -19.546 -7.946 -17.963 1.00 22.12 N ATOM 3757 CA LYS D 65 -20.149 -9.350 -17.810 1.00 26.40 C ATOM 3758 C LYS D 65 -19.206 -10.475 -18.054 1.00 25.29 C ATOM 3759 O LYS D 65 -19.376 -11.449 -17.320 1.00 24.58 O ATOM 3760 CB LYS D 65 -21.237 -9.249 -19.016 1.00 42.10 C ATOM 3761 CG LYS D 65 -21.741 -10.662 -18.763 1.00 41.04 C ATOM 3762 CD LYS D 65 -22.779 -10.191 -20.722 1.00 41.66 C ATOM 3763 CE LYS D 65 -22.954 -12.381 -20.558 1.00 58.61 C ATOM 3764 NZ LYS D 65 -24.294 -12.168 -21.421 1.00 49.59 N ATOM 3765 N LYS D 66 -18.192 -10.318 -18.949 1.00 22.59 N ATOM 3766 CA LYS D 66 -17.187 -11.342 -19.305 1.00 23.91 C ATOM 3767 C LYS D 66 -16.648 -11.569 -17.853 1.00 25.32 C ATOM 3768 O LYS D 66 -16.190 -12.713 -17.500 1.00 23.23 O ATOM 3769 CB LYS D 66 -16.360 -10.927 -20.397 1.00 18.18 C ATOM 3770 CG LYS D 66 -15.506 -11.226 -21.025 1.00 49.93 C ATOM 3771 CD LYS D 66 -15.452 -11.136 -23.086 1.00 31.44 C ATOM 3772 CE LYS D 66 -14.594 -13.236 -23.101 1.00 50.83 C ATOM 3773 NZ LYS D 66 -13.105 -13.073 -24.350 1.00 53.30 N ATOM 3774 N VAL D 67 -16.012 -10.379 -17.238 1.00 17.89 N ATOM 3775 CA VAL D 67 -15.129 -10.761 -16.039 1.00 17.07 C ATOM 3776 C VAL D 67 -15.858 -11.174 -14.995 1.00 11.37 C ATOM 3777 O VAL D 67 -15.392 -12.090 -14.267 1.00 18.26 O ATOM 3778 CB VAL D 67 -14.485 -9.126 -15.950 1.00 18.16 C ATOM 3779 CG1 VAL D 67 -14.204 -9.183 -14.372 1.00 22.61 C ATOM 3780 CG2 VAL D 67 -13.683 -8.637 -17.078 1.00 19.30 C ATOM 3781 N LEU D 68 -17.081 -10.772 -14.714 1.00 12.24 N ATOM 3782 CA LEU D 68 -17.709 -11.246 -13.544 1.00 14.83 C ATOM 3783 C LEU D 68 -18.294 -12.710 -13.662 1.00 13.25 C ATOM 3784 O LEU D 68 -18.430 -13.575 -12.845 1.00 18.25 O ATOM 3785 CB LEU D 68 -18.960 -10.522 -12.977 1.00 23.35 C ATOM 3786 CG LEU D 68 -19.065 -9.950 -11.782 1.00 32.52 C ATOM 3787 CD1 LEU D 68 -18.211 -10.021 -10.888 1.00 40.78 C ATOM 3788 CD2 LEU D 68 -20.119 -9.201 -11.516 1.00 39.22 C ATOM 3789 N GLY D 69 -18.532 -13.001 -15.044 1.00 22.38 N ATOM 3790 CA GLY D 69 -18.677 -14.387 -15.364 1.00 27.48 C ATOM 3791 C GLY D 69 -17.639 -15.482 -15.016 1.00 17.57 C ATOM 3792 O GLY D 69 -17.849 -16.416 -14.366 1.00 21.01 O ATOM 3793 N ALA D 70 -16.381 -14.966 -15.333 1.00 17.61 N ATOM 3794 CA ALA D 70 -15.237 -15.816 -14.969 1.00 17.42 C ATOM 3795 C ALA D 70 -15.098 -15.818 -13.537 1.00 19.59 C ATOM 3796 O ALA D 70 -14.642 -16.873 -12.761 1.00 18.72 O ATOM 3797 CB ALA D 70 -14.109 -15.221 -15.702 1.00 18.83 C ATOM 3798 N PHE D 71 -15.369 -14.689 -12.922 1.00 18.97 N ATOM 3799 CA PHE D 71 -15.352 -14.546 -11.295 1.00 24.55 C ATOM 3800 C PHE D 71 -16.405 -15.564 -10.716 1.00 22.73 C ATOM 3801 O PHE D 71 -15.988 -16.296 -9.916 1.00 26.00 O ATOM 3802 CB PHE D 71 -15.526 -13.076 -10.943 1.00 18.78 C ATOM 3803 CG PHE D 71 -15.587 -12.889 -9.418 1.00 15.63 C ATOM 3804 CD1 PHE D 71 -14.330 -12.356 -8.913 1.00 23.81 C ATOM 3805 CD2 PHE D 71 -16.955 -13.108 -8.941 1.00 34.86 C ATOM 3806 CE1 PHE D 71 -14.431 -12.324 -7.507 1.00 19.91 C ATOM 3807 CE2 PHE D 71 -16.645 -13.000 -7.472 1.00 36.36 C ATOM 3808 CZ PHE D 71 -15.423 -12.584 -6.796 1.00 26.08 C ATOM 3809 N SER D 72 -17.526 -15.632 -11.448 1.00 19.94 N ATOM 3810 CA SER D 72 -18.560 -16.484 -11.205 1.00 23.38 C ATOM 3811 C SER D 72 -18.098 -17.836 -10.814 1.00 24.72 C ATOM 3812 O SER D 72 -18.305 -18.802 -9.908 1.00 26.53 O ATOM 3813 CB SER D 72 -20.212 -16.588 -11.400 1.00 29.23 C ATOM 3814 OG SER D 72 -20.268 -15.282 -11.624 1.00 41.11 O ATOM 3815 N ASP D 73 -17.601 -18.307 -12.047 1.00 28.33 N ATOM 3816 CA ASP D 73 -16.810 -19.464 -12.087 1.00 41.54 C ATOM 3817 C ASP D 73 -16.106 -20.105 -11.342 1.00 28.94 C ATOM 3818 O ASP D 73 -15.997 -21.061 -10.645 1.00 34.21 O ATOM 3819 CB ASP D 73 -16.190 -20.100 -13.720 1.00 46.96 C ATOM 3820 CG ASP D 73 -17.426 -20.027 -14.053 1.00 54.92 C ATOM 3821 OD1 ASP D 73 -18.701 -19.481 -14.810 1.00 44.49 O ATOM 3822 OD2 ASP D 73 -16.811 -19.333 -16.112 1.00 50.27 O ATOM 3823 N GLY D 74 -15.211 -19.059 -10.501 1.00 26.75 N ATOM 3824 CA GLY D 74 -14.376 -19.390 -9.473 1.00 22.69 C ATOM 3825 C GLY D 74 -14.851 -19.537 -8.039 1.00 23.14 C ATOM 3826 O GLY D 74 -14.419 -20.191 -7.094 1.00 29.20 O ATOM 3827 N LEU D 75 -16.177 -18.924 -8.005 1.00 21.18 N ATOM 3828 CA LEU D 75 -16.870 -19.385 -6.815 1.00 34.17 C ATOM 3829 C LEU D 75 -17.117 -20.780 -6.565 1.00 37.46 C ATOM 3830 O LEU D 75 -17.563 -21.063 -5.534 1.00 40.90 O ATOM 3831 CB LEU D 75 -18.078 -18.207 -6.714 1.00 36.63 C ATOM 3832 CG LEU D 75 -17.957 -16.908 -6.209 1.00 28.96 C ATOM 3833 CD1 LEU D 75 -16.674 -16.783 -5.652 1.00 54.84 C ATOM 3834 CD2 LEU D 75 -18.450 -15.831 -6.570 1.00 41.72 C ATOM 3835 N ALA D 76 -17.372 -21.329 -7.689 1.00 36.74 N ATOM 3836 CA ALA D 76 -17.490 -23.239 -8.009 1.00 46.27 C ATOM 3837 C ALA D 76 -16.460 -23.394 -7.753 1.00 39.68 C ATOM 3838 O ALA D 76 -16.371 -24.793 -7.251 1.00 39.55 O ATOM 3839 CB ALA D 76 -18.034 -22.779 -9.158 1.00 52.59 C ATOM 3840 N HIS D 77 -15.221 -22.931 -7.252 1.00 34.88 N ATOM 3841 CA HIS D 77 -14.175 -23.705 -7.014 1.00 37.75 C ATOM 3842 C HIS D 77 -12.911 -22.947 -6.253 1.00 36.30 C ATOM 3843 O HIS D 77 -11.715 -22.807 -6.207 1.00 30.91 O ATOM 3844 CB HIS D 77 -13.016 -23.968 -8.303 1.00 35.95 C ATOM 3845 CG HIS D 77 -13.662 -24.672 -9.381 1.00 39.15 C ATOM 3846 ND1 HIS D 77 -14.327 -23.756 -10.232 1.00 58.22 N ATOM 3847 CD2 HIS D 77 -13.455 -26.062 -9.566 1.00 48.66 C ATOM 3848 CE1 HIS D 77 -15.214 -25.034 -11.337 1.00 49.77 C ATOM 3849 NE2 HIS D 77 -14.945 -25.798 -10.683 1.00 36.55 N ATOM 3850 N LEU D 78 -13.652 -22.590 -4.941 1.00 30.38 N ATOM 3851 CA LEU D 78 -13.049 -22.225 -3.904 1.00 35.53 C ATOM 3852 C LEU D 78 -11.853 -22.307 -3.241 1.00 31.52 C ATOM 3853 O LEU D 78 -11.095 -21.930 -2.681 1.00 30.87 O ATOM 3854 CB LEU D 78 -14.166 -21.218 -2.929 1.00 35.71 C ATOM 3855 CG LEU D 78 -14.517 -19.696 -3.089 1.00 42.09 C ATOM 3856 CD1 LEU D 78 -16.000 -19.812 -2.269 1.00 40.33 C ATOM 3857 CD2 LEU D 78 -14.206 -18.936 -3.409 1.00 43.79 C ATOM 3858 N ASP D 79 -11.841 -23.798 -3.366 1.00 27.09 N ATOM 3859 CA ASP D 79 -10.671 -24.163 -2.603 1.00 39.93 C ATOM 3860 C ASP D 79 -9.351 -24.818 -3.691 1.00 38.31 C ATOM 3861 O ASP D 79 -8.220 -24.950 -3.380 1.00 37.24 O ATOM 3862 CB ASP D 79 -11.204 -25.807 -2.720 1.00 49.19 C ATOM 3863 CG ASP D 79 -12.348 -25.806 -2.280 1.00 60.14 C ATOM 3864 OD1 ASP D 79 -12.747 -27.563 -1.436 1.00 58.54 O ATOM 3865 OD2 ASP D 79 -11.720 -25.378 -0.450 1.00 49.76 O ATOM 3866 N ASN D 80 -9.928 -24.165 -4.813 1.00 33.30 N ATOM 3867 CA ASN D 80 -8.432 -24.074 -5.725 1.00 41.52 C ATOM 3868 C ASN D 80 -8.757 -22.972 -7.024 1.00 29.72 C ATOM 3869 O ASN D 80 -8.410 -23.186 -8.009 1.00 26.63 O ATOM 3870 CB ASN D 80 -8.335 -25.027 -6.387 1.00 65.88 C ATOM 3871 CG ASN D 80 -8.226 -26.006 -7.178 1.00 79.70 C ATOM 3872 OD1 ASN D 80 -6.646 -26.141 -7.665 1.00 64.12 O ATOM 3873 ND2 ASN D 80 -9.445 -26.052 -7.340 1.00 80.04 N ATOM 3874 N LEU D 81 -8.454 -21.884 -6.206 1.00 24.36 N ATOM 3875 CA LEU D 81 -8.539 -20.715 -7.081 1.00 25.83 C ATOM 3876 C LEU D 81 -7.273 -20.637 -8.041 1.00 31.94 C ATOM 3877 O LEU D 81 -7.415 -20.270 -9.214 1.00 25.17 O ATOM 3878 CB LEU D 81 -8.579 -19.629 -6.126 1.00 20.37 C ATOM 3879 CG LEU D 81 -9.997 -19.259 -5.589 1.00 25.65 C ATOM 3880 CD1 LEU D 81 -9.956 -18.414 -4.674 1.00 40.59 C ATOM 3881 CD2 LEU D 81 -11.103 -19.225 -6.396 1.00 23.30 C ATOM 3882 N LYS D 82 -6.051 -20.893 -7.415 1.00 30.20 N ATOM 3883 CA LYS D 82 -4.933 -20.852 -8.394 1.00 28.24 C ATOM 3884 C LYS D 82 -5.124 -21.707 -9.528 1.00 33.91 C ATOM 3885 O LYS D 82 -4.821 -21.459 -10.648 1.00 25.48 O ATOM 3886 CB LYS D 82 -3.611 -21.239 -7.521 1.00 33.73 C ATOM 3887 CG LYS D 82 -3.123 -20.210 -6.921 1.00 40.61 C ATOM 3888 CD LYS D 82 -1.453 -20.533 -6.100 1.00 64.29 C ATOM 3889 CE LYS D 82 -2.245 -18.592 -4.901 1.00 50.61 C ATOM 3890 NZ LYS D 82 -1.640 -20.210 -4.012 1.00 57.77 N ATOM 3891 N GLY D 83 -5.684 -23.133 -9.543 1.00 30.21 N ATOM 3892 CA GLY D 83 -5.556 -24.039 -10.631 1.00 23.41 C ATOM 3893 C GLY D 83 -6.710 -23.708 -11.373 1.00 31.79 C ATOM 3894 O GLY D 83 -6.545 -23.384 -12.827 1.00 27.38 O ATOM 3895 N THR D 84 -7.929 -22.850 -10.943 1.00 27.06 N ATOM 3896 CA THR D 84 -8.896 -22.475 -11.769 1.00 31.17 C ATOM 3897 C THR D 84 -8.254 -21.368 -12.862 1.00 35.08 C ATOM 3898 O THR D 84 -9.023 -21.163 -13.732 1.00 26.93 O ATOM 3899 CB THR D 84 -10.186 -21.934 -10.990 1.00 26.68 C ATOM 3900 OG1 THR D 84 -10.450 -22.939 -10.341 1.00 41.82 O ATOM 3901 CG2 THR D 84 -11.436 -21.350 -11.615 1.00 32.36 C ATOM 3902 N PHE D 85 -7.713 -20.405 -12.026 1.00 23.78 N ATOM 3903 CA PHE D 85 -7.538 -18.984 -12.806 1.00 17.94 C ATOM 3904 C PHE D 85 -6.138 -19.115 -13.564 1.00 20.32 C ATOM 3905 O PHE D 85 -5.528 -18.116 -14.137 1.00 18.46 O ATOM 3906 CB PHE D 85 -7.425 -17.913 -11.819 1.00 16.82 C ATOM 3907 CG PHE D 85 -8.885 -17.567 -11.680 1.00 15.41 C ATOM 3908 CD1 PHE D 85 -9.422 -17.861 -10.346 1.00 21.43 C ATOM 3909 CD2 PHE D 85 -9.605 -16.833 -12.552 1.00 29.52 C ATOM 3910 CE1 PHE D 85 -10.820 -17.512 -9.993 1.00 27.35 C ATOM 3911 CE2 PHE D 85 -11.060 -16.678 -12.198 1.00 23.38 C ATOM 3912 CZ PHE D 85 -11.788 -16.979 -10.988 1.00 20.96 C ATOM 3913 N ALA D 86 -5.306 -20.190 -13.510 1.00 16.78 N ATOM 3914 CA ALA D 86 -3.786 -20.129 -13.990 1.00 21.66 C ATOM 3915 C ALA D 86 -3.859 -19.751 -15.592 1.00 13.70 C ATOM 3916 O ALA D 86 -2.977 -18.900 -15.942 1.00 16.83 O ATOM 3917 CB ALA D 86 -3.276 -21.717 -14.150 1.00 23.60 C ATOM 3918 N THR D 87 -4.799 -20.235 -16.291 1.00 17.09 N ATOM 3919 CA THR D 87 -4.700 -19.770 -17.696 1.00 15.85 C ATOM 3920 C THR D 87 -4.913 -18.223 -17.934 1.00 17.61 C ATOM 3921 O THR D 87 -4.226 -17.589 -18.665 1.00 21.97 O ATOM 3922 CB THR D 87 -5.803 -20.551 -18.552 1.00 23.34 C ATOM 3923 OG1 THR D 87 -5.495 -21.943 -18.388 1.00 26.37 O ATOM 3924 CG2 THR D 87 -5.595 -20.344 -19.930 1.00 26.08 C ATOM 3925 N LEU D 88 -5.980 -17.807 -17.359 1.00 19.60 N ATOM 3926 CA LEU D 88 -6.271 -16.457 -17.415 1.00 18.18 C ATOM 3927 C LEU D 88 -5.187 -15.518 -16.684 1.00 15.66 C ATOM 3928 O LEU D 88 -4.841 -14.368 -17.168 1.00 16.54 O ATOM 3929 CB LEU D 88 -7.631 -16.058 -16.725 1.00 24.93 C ATOM 3930 CG LEU D 88 -8.806 -16.413 -17.604 1.00 29.68 C ATOM 3931 CD1 LEU D 88 -9.913 -16.362 -16.626 1.00 33.11 C ATOM 3932 CD2 LEU D 88 -8.780 -15.785 -18.779 1.00 21.96 C ATOM 3933 N SER D 89 -4.550 -16.190 -15.577 1.00 21.20 N ATOM 3934 CA SER D 89 -3.384 -15.545 -14.950 1.00 17.78 C ATOM 3935 C SER D 89 -2.295 -15.067 -15.986 1.00 16.70 C ATOM 3936 O SER D 89 -1.619 -14.055 -16.257 1.00 15.86 O ATOM 3937 CB SER D 89 -2.725 -16.272 -13.880 1.00 19.29 C ATOM 3938 OG SER D 89 -1.733 -15.529 -13.240 1.00 14.95 O ATOM 3939 N GLU D 90 -1.806 -16.218 -16.719 1.00 15.58 N ATOM 3940 CA GLU D 90 -0.961 -16.101 -17.900 1.00 21.65 C ATOM 3941 C GLU D 90 -1.319 -15.129 -19.030 1.00 13.57 C ATOM 3942 O GLU D 90 -0.576 -14.403 -19.451 1.00 18.38 O ATOM 3943 CB GLU D 90 -0.700 -17.640 -18.253 1.00 19.08 C ATOM 3944 CG GLU D 90 0.585 -17.390 -19.009 1.00 38.09 C ATOM 3945 CD GLU D 90 0.916 -19.788 -19.196 1.00 62.85 C ATOM 3946 OE1 GLU D 90 0.495 -19.279 -20.696 1.00 54.38 O ATOM 3947 OE2 GLU D 90 -0.172 -20.134 -18.632 1.00 49.69 O ATOM 3948 N LEU D 91 -2.614 -15.260 -19.279 1.00 12.64 N ATOM 3949 CA LEU D 91 -2.918 -14.282 -20.199 1.00 11.29 C ATOM 3950 C LEU D 91 -2.769 -12.767 -19.975 1.00 14.82 C ATOM 3951 O LEU D 91 -2.486 -11.814 -20.708 1.00 14.36 O ATOM 3952 CB LEU D 91 -4.443 -14.616 -20.526 1.00 13.30 C ATOM 3953 CG LEU D 91 -5.325 -13.643 -21.412 1.00 17.13 C ATOM 3954 CD1 LEU D 91 -4.702 -13.618 -23.000 1.00 25.95 C ATOM 3955 CD2 LEU D 91 -6.752 -13.787 -21.472 1.00 20.87 C ATOM 3956 N HIS D 92 -3.278 -12.509 -18.598 1.00 14.55 N ATOM 3957 CA HIS D 92 -3.429 -10.968 -18.356 1.00 18.41 C ATOM 3958 C HIS D 92 -1.750 -10.659 -17.942 1.00 25.22 C ATOM 3959 O HIS D 92 -1.542 -9.487 -18.276 1.00 15.09 O ATOM 3960 CB HIS D 92 -3.870 -11.061 -16.956 1.00 16.94 C ATOM 3961 CG HIS D 92 -5.443 -10.779 -17.044 1.00 14.87 C ATOM 3962 ND1 HIS D 92 -6.226 -12.088 -17.324 1.00 14.65 N ATOM 3963 CD2 HIS D 92 -6.494 -9.930 -17.027 1.00 12.93 C ATOM 3964 CE1 HIS D 92 -7.513 -11.488 -17.344 1.00 12.97 C ATOM 3965 NE2 HIS D 92 -7.794 -10.264 -17.456 1.00 18.10 N ATOM 3966 N CYS D 93 -0.853 -11.610 -17.750 1.00 16.12 N ATOM 3967 CA CYS D 93 0.671 -11.156 -17.799 1.00 16.35 C ATOM 3968 C CYS D 93 1.184 -10.895 -19.303 1.00 18.55 C ATOM 3969 O CYS D 93 1.616 -9.948 -19.471 1.00 17.22 O ATOM 3970 CB CYS D 93 1.177 -12.201 -16.844 1.00 20.93 C ATOM 3971 SG CYS D 93 3.106 -11.680 -16.838 1.00 18.90 S ATOM 3972 N ASP D 94 1.071 -12.148 -19.853 1.00 14.32 N ATOM 3973 CA ASP D 94 2.076 -12.170 -21.195 1.00 16.01 C ATOM 3974 C ASP D 94 1.351 -11.461 -22.242 1.00 19.68 C ATOM 3975 O ASP D 94 1.981 -11.016 -23.089 1.00 27.14 O ATOM 3976 CB ASP D 94 2.163 -13.661 -21.334 1.00 20.44 C ATOM 3977 CG ASP D 94 3.220 -14.533 -20.409 1.00 36.43 C ATOM 3978 OD1 ASP D 94 3.523 -13.728 -19.788 1.00 32.86 O ATOM 3979 OD2 ASP D 94 2.735 -15.960 -20.657 1.00 40.09 O ATOM 3980 N LYS D 95 0.079 -11.509 -22.378 1.00 14.90 N ATOM 3981 CA LYS D 95 -0.657 -10.830 -23.618 1.00 16.76 C ATOM 3982 C LYS D 95 -1.037 -9.542 -23.369 1.00 18.82 C ATOM 3983 O LYS D 95 -1.025 -8.517 -23.887 1.00 19.72 O ATOM 3984 CB LYS D 95 -1.739 -11.719 -24.171 1.00 24.57 C ATOM 3985 CG LYS D 95 -1.405 -13.254 -24.270 1.00 49.61 C ATOM 3986 CD LYS D 95 0.033 -12.822 -25.830 1.00 60.17 C ATOM 3987 CE LYS D 95 0.875 -13.698 -26.541 1.00 57.82 C ATOM 3988 NZ LYS D 95 1.951 -12.652 -27.842 1.00 59.53 N ATOM 3989 N LEU D 96 -1.816 -9.347 -21.943 1.00 16.80 N ATOM 3990 CA LEU D 96 -2.489 -8.095 -21.711 1.00 16.58 C ATOM 3991 C LEU D 96 -1.557 -6.998 -20.981 1.00 16.01 C ATOM 3992 O LEU D 96 -2.025 -5.870 -20.986 1.00 15.73 O ATOM 3993 CB LEU D 96 -3.813 -8.447 -21.040 1.00 21.01 C ATOM 3994 CG LEU D 96 -4.799 -9.421 -21.657 1.00 22.06 C ATOM 3995 CD1 LEU D 96 -6.039 -9.748 -20.763 1.00 15.50 C ATOM 3996 CD2 LEU D 96 -5.152 -8.823 -22.921 1.00 34.04 C ATOM 3997 N HIS D 97 -0.781 -7.579 -20.217 1.00 18.03 N ATOM 3998 CA HIS D 97 0.244 -6.637 -19.580 1.00 18.48 C ATOM 3999 C HIS D 97 -0.432 -5.796 -18.443 1.00 13.60 C ATOM 4000 O HIS D 97 -0.253 -4.620 -18.215 1.00 15.07 O ATOM 4001 CB HIS D 97 0.990 -5.653 -20.400 1.00 24.24 C ATOM 4002 CG HIS D 97 1.776 -6.391 -21.656 1.00 28.24 C ATOM 4003 ND1 HIS D 97 2.554 -7.432 -21.385 1.00 26.25 N ATOM 4004 CD2 HIS D 97 1.271 -6.244 -22.910 1.00 35.10 C ATOM 4005 CE1 HIS D 97 3.136 -7.961 -22.703 1.00 25.85 C ATOM 4006 NE2 HIS D 97 2.325 -7.208 -23.322 1.00 28.28 N ATOM 4007 N VAL D 98 -1.455 -6.545 -17.703 1.00 15.21 N ATOM 4008 CA VAL D 98 -2.210 -5.794 -16.736 1.00 14.55 C ATOM 4009 C VAL D 98 -1.489 -5.841 -15.285 1.00 10.52 C ATOM 4010 O VAL D 98 -1.368 -7.002 -14.827 1.00 11.77 O ATOM 4011 CB VAL D 98 -3.549 -6.468 -16.502 1.00 15.30 C ATOM 4012 CG1 VAL D 98 -4.339 -5.933 -15.325 1.00 15.30 C ATOM 4013 CG2 VAL D 98 -4.285 -6.152 -17.968 1.00 17.14 C ATOM 4014 N ASP D 99 -1.167 -4.730 -14.701 1.00 9.86 N ATOM 4015 CA ASP D 99 -0.610 -4.765 -13.282 1.00 10.99 C ATOM 4016 C ASP D 99 -1.652 -5.465 -12.445 1.00 12.34 C ATOM 4017 O ASP D 99 -2.837 -4.921 -12.433 1.00 15.90 O ATOM 4018 CB ASP D 99 -0.421 -3.334 -12.976 1.00 12.59 C ATOM 4019 CG ASP D 99 0.231 -3.018 -11.481 1.00 12.64 C ATOM 4020 OD1 ASP D 99 0.529 -1.770 -11.464 1.00 11.35 O ATOM 4021 OD2 ASP D 99 0.421 -4.097 -10.818 1.00 14.04 O ATOM 4022 N PRO D 100 -1.293 -6.422 -11.755 1.00 16.57 N ATOM 4023 CA PRO D 100 -2.075 -7.130 -10.712 1.00 11.14 C ATOM 4024 C PRO D 100 -2.767 -6.164 -9.672 1.00 11.03 C ATOM 4025 O PRO D 100 -3.730 -6.728 -9.131 1.00 12.40 O ATOM 4026 CB PRO D 100 -1.455 -8.509 -10.454 1.00 18.57 C ATOM 4027 CG PRO D 100 -0.120 -8.351 -10.644 1.00 16.52 C ATOM 4028 CD PRO D 100 0.008 -7.085 -11.678 1.00 15.61 C ATOM 4029 N GLU D 101 -2.120 -5.022 -9.432 1.00 9.29 N ATOM 4030 CA GLU D 101 -2.721 -4.184 -8.535 1.00 12.45 C ATOM 4031 C GLU D 101 -4.150 -3.766 -8.894 1.00 20.07 C ATOM 4032 O GLU D 101 -5.139 -3.640 -8.044 1.00 15.47 O ATOM 4033 CB GLU D 101 -1.898 -2.971 -8.352 1.00 18.48 C ATOM 4034 CG GLU D 101 -2.751 -1.912 -7.301 1.00 30.49 C ATOM 4035 CD GLU D 101 -2.928 -2.595 -5.361 1.00 32.99 C ATOM 4036 OE1 GLU D 101 -1.814 -3.251 -5.501 1.00 22.72 O ATOM 4037 OE2 GLU D 101 -3.790 -1.433 -5.275 1.00 37.16 O ATOM 4038 N ASN D 102 -4.416 -3.866 -10.222 1.00 14.86 N ATOM 4039 CA ASN D 102 -5.827 -3.553 -10.820 1.00 14.38 C ATOM 4040 C ASN D 102 -6.730 -4.706 -10.375 1.00 12.83 C ATOM 4041 O ASN D 102 -8.073 -4.305 -10.051 1.00 15.98 O ATOM 4042 CB ASN D 102 -5.825 -3.726 -12.202 1.00 15.85 C ATOM 4043 CG ASN D 102 -5.178 -2.418 -12.728 1.00 20.86 C ATOM 4044 OD1 ASN D 102 -5.594 -1.386 -12.707 1.00 17.49 O ATOM 4045 ND2 ASN D 102 -3.900 -2.610 -13.401 1.00 22.52 N ATOM 4046 N PHE D 103 -6.450 -5.902 -10.088 1.00 11.06 N ATOM 4047 CA PHE D 103 -7.223 -7.062 -9.594 1.00 11.10 C ATOM 4048 C PHE D 103 -7.838 -6.627 -8.138 1.00 14.83 C ATOM 4049 O PHE D 103 -9.038 -6.926 -7.755 1.00 12.07 O ATOM 4050 CB PHE D 103 -6.641 -8.378 -9.453 1.00 14.26 C ATOM 4051 CG PHE D 103 -5.978 -8.685 -10.884 1.00 14.43 C ATOM 4052 CD1 PHE D 103 -6.722 -8.442 -12.150 1.00 22.91 C ATOM 4053 CD2 PHE D 103 -4.777 -9.418 -10.920 1.00 19.84 C ATOM 4054 CE1 PHE D 103 -6.285 -8.812 -13.376 1.00 22.48 C ATOM 4055 CE2 PHE D 103 -4.350 -9.752 -12.200 1.00 13.44 C ATOM 4056 CZ PHE D 103 -4.988 -9.426 -13.435 1.00 16.91 C ATOM 4057 N ARG D 104 -6.979 -6.041 -7.313 1.00 14.96 N ATOM 4058 CA ARG D 104 -7.236 -5.640 -5.946 1.00 18.64 C ATOM 4059 C ARG D 104 -8.352 -4.439 -5.984 1.00 17.76 C ATOM 4060 O ARG D 104 -9.251 -4.482 -5.206 1.00 14.29 O ATOM 4061 CB ARG D 104 -5.925 -5.205 -5.097 1.00 19.67 C ATOM 4062 CG ARG D 104 -5.188 -6.366 -5.055 1.00 39.66 C ATOM 4063 CD ARG D 104 -3.686 -6.042 -4.324 1.00 67.99 C ATOM 4064 NE ARG D 104 -3.285 -7.833 -4.405 1.00 67.11 N ATOM 4065 CZ ARG D 104 -0.829 -7.130 -4.074 1.00 80.12 C ATOM 4066 NH1 ARG D 104 -1.228 -5.714 -3.904 1.00 77.56 N ATOM 4067 NH2 ARG D 104 -1.024 -7.904 -3.149 1.00 80.12 N ATOM 4068 N LEU D 105 -8.019 -3.490 -6.857 1.00 14.78 N ATOM 4069 CA LEU D 105 -8.933 -2.377 -6.997 1.00 11.66 C ATOM 4070 C LEU D 105 -10.366 -2.815 -7.384 1.00 13.52 C ATOM 4071 O LEU D 105 -11.325 -2.484 -6.781 1.00 12.56 O ATOM 4072 CB LEU D 105 -8.385 -1.463 -7.865 1.00 16.32 C ATOM 4073 CG LEU D 105 -7.155 -0.533 -7.691 1.00 23.61 C ATOM 4074 CD1 LEU D 105 -6.564 0.347 -8.601 1.00 25.65 C ATOM 4075 CD2 LEU D 105 -7.175 -0.008 -6.272 1.00 30.28 C ATOM 4076 N LEU D 106 -10.388 -3.731 -8.359 1.00 11.11 N ATOM 4077 CA LEU D 106 -11.776 -4.169 -8.774 1.00 10.81 C ATOM 4078 C LEU D 106 -12.425 -4.909 -7.735 1.00 7.04 C ATOM 4079 O LEU D 106 -13.596 -4.860 -7.508 1.00 8.65 O ATOM 4080 CB LEU D 106 -11.565 -5.136 -9.996 1.00 12.84 C ATOM 4081 CG LEU D 106 -12.908 -5.591 -10.559 1.00 16.25 C ATOM 4082 CD1 LEU D 106 -13.855 -4.506 -11.046 1.00 16.77 C ATOM 4083 CD2 LEU D 106 -12.516 -6.548 -11.540 1.00 20.04 C ATOM 4084 N GLY D 107 -11.735 -5.688 -6.939 1.00 12.52 N ATOM 4085 CA GLY D 107 -12.179 -6.516 -5.777 1.00 16.15 C ATOM 4086 C GLY D 107 -12.899 -5.574 -4.792 1.00 14.99 C ATOM 4087 O GLY D 107 -14.015 -5.773 -4.332 1.00 12.81 O ATOM 4088 N ASN D 108 -12.285 -4.436 -4.514 1.00 12.36 N ATOM 4089 CA ASN D 108 -12.802 -3.491 -3.621 1.00 14.00 C ATOM 4090 C ASN D 108 -13.963 -2.724 -4.098 1.00 11.43 C ATOM 4091 O ASN D 108 -15.056 -2.507 -3.385 1.00 12.39 O ATOM 4092 CB ASN D 108 -11.844 -2.454 -3.053 1.00 18.57 C ATOM 4093 CG ASN D 108 -10.617 -3.293 -1.988 1.00 22.26 C ATOM 4094 OD1 ASN D 108 -11.199 -4.293 -1.311 1.00 22.78 O ATOM 4095 ND2 ASN D 108 -9.853 -2.344 -1.843 1.00 30.03 N ATOM 4096 N VAL D 109 -13.924 -2.387 -5.385 1.00 10.09 N ATOM 4097 CA VAL D 109 -15.064 -1.848 -6.032 1.00 8.21 C ATOM 4098 C VAL D 109 -16.234 -2.783 -6.101 1.00 9.89 C ATOM 4099 O VAL D 109 -17.335 -2.321 -5.728 1.00 11.76 O ATOM 4100 CB VAL D 109 -14.656 -1.351 -7.492 1.00 11.59 C ATOM 4101 CG1 VAL D 109 -15.861 -0.846 -8.320 1.00 17.96 C ATOM 4102 CG2 VAL D 109 -13.771 -0.178 -7.377 1.00 17.98 C ATOM 4103 N LEU D 110 -15.952 -4.083 -6.403 1.00 9.62 N ATOM 4104 CA LEU D 110 -17.024 -5.059 -6.369 1.00 14.08 C ATOM 4105 C LEU D 110 -17.831 -5.035 -5.141 1.00 11.97 C ATOM 4106 O LEU D 110 -19.008 -5.257 -4.826 1.00 10.97 O ATOM 4107 CB LEU D 110 -16.600 -6.309 -6.770 1.00 15.34 C ATOM 4108 CG LEU D 110 -17.478 -7.458 -6.761 1.00 14.97 C ATOM 4109 CD1 LEU D 110 -18.670 -7.282 -7.592 1.00 23.21 C ATOM 4110 CD2 LEU D 110 -16.862 -8.829 -7.132 1.00 26.92 C ATOM 4111 N VAL D 111 -16.932 -5.013 -3.909 1.00 14.50 N ATOM 4112 CA VAL D 111 -17.557 -5.003 -2.482 1.00 11.82 C ATOM 4113 C VAL D 111 -18.496 -3.835 -2.339 1.00 14.01 C ATOM 4114 O VAL D 111 -19.560 -3.938 -1.746 1.00 12.03 O ATOM 4115 CB VAL D 111 -16.468 -5.174 -1.423 1.00 12.62 C ATOM 4116 CG1 VAL D 111 -17.105 -4.887 -0.077 1.00 15.85 C ATOM 4117 CG2 VAL D 111 -15.845 -6.615 -1.505 1.00 10.77 C ATOM 4118 N CYS D 112 -17.954 -2.598 -2.876 1.00 13.62 N ATOM 4119 CA CYS D 112 -18.674 -1.428 -2.875 1.00 13.72 C ATOM 4120 C CYS D 112 -20.245 -1.545 -3.397 1.00 20.10 C ATOM 4121 O CYS D 112 -21.199 -1.153 -2.984 1.00 16.56 O ATOM 4122 CB CYS D 112 -18.077 -0.213 -3.441 1.00 12.95 C ATOM 4123 SG CYS D 112 -16.890 0.371 -2.238 1.00 15.21 S ATOM 4124 N VAL D 113 -20.090 -2.259 -4.565 1.00 17.02 N ATOM 4125 CA VAL D 113 -21.229 -2.476 -5.537 1.00 12.28 C ATOM 4126 C VAL D 113 -22.216 -3.415 -4.943 1.00 12.56 C ATOM 4127 O VAL D 113 -23.393 -3.166 -4.833 1.00 15.84 O ATOM 4128 CB VAL D 113 -20.819 -3.012 -6.914 1.00 17.85 C ATOM 4129 CG1 VAL D 113 -22.007 -3.440 -7.657 1.00 18.74 C ATOM 4130 CG2 VAL D 113 -20.123 -1.688 -7.807 1.00 21.41 C ATOM 4131 N LEU D 114 -21.799 -4.480 -4.273 1.00 10.75 N ATOM 4132 CA LEU D 114 -22.611 -5.453 -3.526 1.00 10.78 C ATOM 4133 C LEU D 114 -23.336 -4.689 -2.455 1.00 19.00 C ATOM 4134 O LEU D 114 -24.454 -4.811 -2.196 1.00 11.46 O ATOM 4135 CB LEU D 114 -21.815 -6.582 -3.114 1.00 14.56 C ATOM 4136 CG LEU D 114 -21.183 -7.401 -4.241 1.00 17.11 C ATOM 4137 CD1 LEU D 114 -20.368 -8.591 -3.652 1.00 17.06 C ATOM 4138 CD2 LEU D 114 -22.473 -8.135 -5.021 1.00 20.86 C ATOM 4139 N ALA D 115 -22.573 -3.965 -1.677 1.00 11.71 N ATOM 4140 CA ALA D 115 -23.177 -3.124 -0.512 1.00 11.69 C ATOM 4141 C ALA D 115 -24.286 -2.193 -1.056 1.00 15.12 C ATOM 4142 O ALA D 115 -25.190 -2.078 -0.405 1.00 15.47 O ATOM 4143 CB ALA D 115 -22.014 -2.336 0.283 1.00 12.28 C ATOM 4144 N HIS D 116 -23.996 -1.420 -2.116 1.00 15.03 N ATOM 4145 CA HIS D 116 -24.955 -0.497 -2.730 1.00 12.09 C ATOM 4146 C HIS D 116 -26.163 -1.244 -3.183 1.00 12.50 C ATOM 4147 O HIS D 116 -27.367 -0.733 -2.977 1.00 15.93 O ATOM 4148 CB HIS D 116 -24.260 0.137 -3.930 1.00 20.66 C ATOM 4149 CG HIS D 116 -25.177 1.236 -4.511 1.00 27.72 C ATOM 4150 ND1 HIS D 116 -25.302 1.194 -5.752 1.00 29.99 N ATOM 4151 CD2 HIS D 116 -25.633 2.207 -3.823 1.00 30.96 C ATOM 4152 CE1 HIS D 116 -26.002 2.415 -6.103 1.00 27.26 C ATOM 4153 NE2 HIS D 116 -26.344 3.000 -4.762 1.00 28.89 N ATOM 4154 N HIS D 117 -26.018 -2.363 -3.828 1.00 13.33 N ATOM 4155 CA HIS D 117 -27.076 -3.136 -4.425 1.00 15.24 C ATOM 4156 C HIS D 117 -27.870 -3.712 -3.255 1.00 17.50 C ATOM 4157 O HIS D 117 -29.133 -3.855 -3.315 1.00 16.06 O ATOM 4158 CB HIS D 117 -26.496 -4.135 -5.434 1.00 17.22 C ATOM 4159 CG HIS D 117 -27.385 -4.774 -6.024 1.00 54.91 C ATOM 4160 ND1 HIS D 117 -28.250 -3.991 -7.312 1.00 47.40 N ATOM 4161 CD2 HIS D 117 -28.517 -5.901 -5.930 1.00 49.34 C ATOM 4162 CE1 HIS D 117 -29.253 -5.278 -7.522 1.00 48.36 C ATOM 4163 NE2 HIS D 117 -29.230 -6.041 -6.924 1.00 37.10 N ATOM 4164 N PHE D 118 -27.360 -4.464 -2.297 1.00 14.50 N ATOM 4165 CA PHE D 118 -28.031 -5.299 -1.218 1.00 19.30 C ATOM 4166 C PHE D 118 -28.313 -4.501 -0.028 1.00 20.52 C ATOM 4167 O PHE D 118 -29.066 -5.081 0.915 1.00 18.09 O ATOM 4168 CB PHE D 118 -27.213 -6.481 -0.908 1.00 18.97 C ATOM 4169 CG PHE D 118 -27.223 -7.413 -2.204 1.00 18.93 C ATOM 4170 CD1 PHE D 118 -26.304 -7.801 -3.109 1.00 24.34 C ATOM 4171 CD2 PHE D 118 -28.509 -8.118 -2.367 1.00 26.48 C ATOM 4172 CE1 PHE D 118 -26.170 -8.548 -4.227 1.00 20.81 C ATOM 4173 CE2 PHE D 118 -28.524 -8.992 -3.636 1.00 22.90 C ATOM 4174 CZ PHE D 118 -27.563 -8.928 -4.575 1.00 38.52 C ATOM 4175 N GLY D 119 -27.754 -3.376 0.316 1.00 12.95 N ATOM 4176 CA GLY D 119 -28.196 -2.563 1.458 1.00 17.60 C ATOM 4177 C GLY D 119 -27.642 -3.404 2.740 1.00 22.58 C ATOM 4178 O GLY D 119 -26.745 -4.123 2.946 1.00 17.60 O ATOM 4179 N LYS D 120 -28.738 -3.418 3.697 1.00 21.46 N ATOM 4180 CA LYS D 120 -28.403 -3.844 5.025 1.00 20.05 C ATOM 4181 C LYS D 120 -28.472 -5.257 5.045 1.00 21.98 C ATOM 4182 O LYS D 120 -27.730 -5.889 5.925 1.00 18.57 O ATOM 4183 CB LYS D 120 -29.674 -3.273 5.899 1.00 27.28 C ATOM 4184 CG LYS D 120 -30.525 -4.321 5.995 1.00 44.07 C ATOM 4185 CD LYS D 120 -31.907 -4.631 6.867 1.00 48.21 C ATOM 4186 CE LYS D 120 -33.041 -5.118 5.873 1.00 53.23 C ATOM 4187 NZ LYS D 120 -34.578 -6.152 7.224 1.00 62.54 N ATOM 4188 N GLU D 121 -28.504 -6.080 4.008 1.00 25.88 N ATOM 4189 CA GLU D 121 -28.273 -7.343 3.934 1.00 20.02 C ATOM 4190 C GLU D 121 -26.675 -7.822 3.749 1.00 18.96 C ATOM 4191 O GLU D 121 -26.335 -8.975 4.074 1.00 16.05 O ATOM 4192 CB GLU D 121 -29.032 -8.153 2.527 1.00 28.13 C ATOM 4193 CG GLU D 121 -28.995 -9.238 2.561 1.00 40.20 C ATOM 4194 CD GLU D 121 -30.346 -10.237 1.461 1.00 49.97 C ATOM 4195 OE1 GLU D 121 -29.357 -11.293 1.004 1.00 36.73 O ATOM 4196 OE2 GLU D 121 -30.336 -9.346 0.552 1.00 38.86 O ATOM 4197 N PHE D 122 -26.073 -6.783 3.271 1.00 14.83 N ATOM 4198 CA PHE D 122 -24.573 -7.060 3.133 1.00 20.37 C ATOM 4199 C PHE D 122 -23.961 -6.641 4.530 1.00 15.94 C ATOM 4200 O PHE D 122 -23.307 -5.592 4.698 1.00 17.73 O ATOM 4201 CB PHE D 122 -24.256 -6.093 2.128 1.00 14.63 C ATOM 4202 CG PHE D 122 -22.862 -6.484 1.494 1.00 12.39 C ATOM 4203 CD1 PHE D 122 -22.569 -7.575 0.927 1.00 14.73 C ATOM 4204 CD2 PHE D 122 -21.593 -5.712 1.717 1.00 15.96 C ATOM 4205 CE1 PHE D 122 -21.227 -8.021 0.354 1.00 19.03 C ATOM 4206 CE2 PHE D 122 -20.268 -6.011 1.383 1.00 16.31 C ATOM 4207 CZ PHE D 122 -20.290 -7.145 0.714 1.00 19.86 C ATOM 4208 N THR D 123 -24.154 -7.525 5.413 1.00 12.54 N ATOM 4209 CA THR D 123 -23.654 -7.132 6.808 1.00 13.34 C ATOM 4210 C THR D 123 -22.221 -7.283 6.854 1.00 15.73 C ATOM 4211 O THR D 123 -21.546 -7.802 6.060 1.00 13.84 O ATOM 4212 CB THR D 123 -24.160 -8.212 7.778 1.00 17.72 C ATOM 4213 OG1 THR D 123 -23.892 -9.520 7.414 1.00 19.04 O ATOM 4214 CG2 THR D 123 -25.951 -8.264 7.657 1.00 20.06 C ATOM 4215 N PRO D 124 -21.722 -6.789 8.010 1.00 17.46 N ATOM 4216 CA PRO D 124 -20.251 -6.940 8.311 1.00 14.41 C ATOM 4217 C PRO D 124 -19.706 -8.259 8.132 1.00 12.05 C ATOM 4218 O PRO D 124 -18.668 -8.405 7.486 1.00 13.28 O ATOM 4219 CB PRO D 124 -20.088 -6.243 9.615 1.00 14.54 C ATOM 4220 CG PRO D 124 -21.223 -5.227 9.715 1.00 15.93 C ATOM 4221 CD PRO D 124 -22.358 -6.045 9.113 1.00 14.57 C ATOM 4222 N PRO D 125 -20.257 -9.372 8.599 1.00 11.40 N ATOM 4223 CA PRO D 125 -19.807 -10.596 8.366 1.00 17.87 C ATOM 4224 C PRO D 125 -19.690 -11.236 6.993 1.00 15.21 C ATOM 4225 O PRO D 125 -18.781 -11.857 6.488 1.00 14.41 O ATOM 4226 CB PRO D 125 -20.651 -11.465 9.240 1.00 23.30 C ATOM 4227 CG PRO D 125 -21.148 -10.683 10.183 1.00 26.37 C ATOM 4228 CD PRO D 125 -21.413 -9.462 9.802 1.00 17.49 C ATOM 4229 N VAL D 126 -20.833 -10.714 6.263 1.00 17.66 N ATOM 4230 CA VAL D 126 -20.828 -11.114 4.812 1.00 21.55 C ATOM 4231 C VAL D 126 -19.574 -10.424 3.938 1.00 16.49 C ATOM 4232 O VAL D 126 -19.053 -10.988 3.156 1.00 13.46 O ATOM 4233 CB VAL D 126 -22.452 -10.640 4.161 1.00 13.98 C ATOM 4234 CG1 VAL D 126 -22.335 -11.055 2.842 1.00 20.70 C ATOM 4235 CG2 VAL D 126 -23.218 -11.661 4.994 1.00 18.54 C ATOM 4236 N GLN D 127 -19.567 -8.990 4.377 1.00 10.60 N ATOM 4237 CA GLN D 127 -18.404 -8.336 3.872 1.00 12.83 C ATOM 4238 C GLN D 127 -17.168 -9.034 3.964 1.00 13.74 C ATOM 4239 O GLN D 127 -16.333 -9.154 3.044 1.00 12.71 O ATOM 4240 CB GLN D 127 -18.494 -6.875 4.230 1.00 11.73 C ATOM 4241 CG GLN D 127 -17.167 -6.142 3.667 1.00 13.68 C ATOM 4242 CD GLN D 127 -16.957 -4.845 4.400 1.00 11.81 C ATOM 4243 OE1 GLN D 127 -17.847 -4.243 5.015 1.00 13.99 O ATOM 4244 NE2 GLN D 127 -15.920 -4.250 3.871 1.00 15.96 N ATOM 4245 N ALA D 128 -16.860 -9.470 5.254 1.00 12.61 N ATOM 4246 CA ALA D 128 -15.629 -10.118 5.636 1.00 9.64 C ATOM 4247 C ALA D 128 -15.294 -11.332 4.779 1.00 7.66 C ATOM 4248 O ALA D 128 -14.216 -11.498 4.302 1.00 11.68 O ATOM 4249 CB ALA D 128 -15.618 -10.468 7.105 1.00 13.80 C ATOM 4250 N ALA D 129 -16.442 -11.965 4.516 1.00 13.18 N ATOM 4251 CA ALA D 129 -16.351 -13.231 3.750 1.00 11.17 C ATOM 4252 C ALA D 129 -15.929 -12.840 2.277 1.00 11.52 C ATOM 4253 O ALA D 129 -15.098 -13.537 1.657 1.00 13.56 O ATOM 4254 CB ALA D 129 -17.591 -14.039 3.811 1.00 14.35 C ATOM 4255 N TYR D 130 -16.661 -11.959 1.697 1.00 13.36 N ATOM 4256 CA TYR D 130 -16.475 -11.445 0.343 1.00 13.72 C ATOM 4257 C TYR D 130 -15.053 -10.791 0.256 1.00 15.10 C ATOM 4258 O TYR D 130 -14.355 -11.020 -0.750 1.00 13.21 O ATOM 4259 CB TYR D 130 -17.422 -10.440 -0.057 1.00 13.30 C ATOM 4260 CG TYR D 130 -18.539 -11.158 -0.682 1.00 15.19 C ATOM 4261 CD1 TYR D 130 -18.456 -11.539 -1.989 1.00 16.58 C ATOM 4262 CD2 TYR D 130 -19.661 -11.646 -0.093 1.00 11.73 C ATOM 4263 CE1 TYR D 130 -19.348 -12.381 -2.950 1.00 20.28 C ATOM 4264 CE2 TYR D 130 -20.692 -12.412 -0.867 1.00 14.90 C ATOM 4265 CZ TYR D 130 -20.584 -12.824 -2.071 1.00 22.05 C ATOM 4266 OH TYR D 130 -21.522 -13.470 -2.725 1.00 20.92 O ATOM 4267 N GLN D 131 -14.583 -10.235 1.300 1.00 12.24 N ATOM 4268 CA GLN D 131 -13.174 -9.715 1.275 1.00 13.72 C ATOM 4269 C GLN D 131 -12.128 -10.656 1.064 1.00 20.69 C ATOM 4270 O GLN D 131 -11.251 -10.668 0.401 1.00 17.83 O ATOM 4271 CB GLN D 131 -12.830 -8.708 2.421 1.00 13.45 C ATOM 4272 CG GLN D 131 -13.616 -7.579 2.534 1.00 20.19 C ATOM 4273 CD GLN D 131 -13.161 -6.166 1.573 1.00 18.43 C ATOM 4274 OE1 GLN D 131 -14.035 -5.385 1.692 1.00 14.48 O ATOM 4275 NE2 GLN D 131 -12.233 -6.377 0.841 1.00 16.06 N ATOM 4276 N LYS D 132 -12.389 -11.876 1.744 1.00 12.67 N ATOM 4277 CA LYS D 132 -11.377 -12.991 1.725 1.00 15.63 C ATOM 4278 C LYS D 132 -11.407 -13.587 0.293 1.00 18.80 C ATOM 4279 O LYS D 132 -10.481 -13.843 -0.328 1.00 14.05 O ATOM 4280 CB LYS D 132 -11.780 -14.083 2.621 1.00 24.81 C ATOM 4281 CG LYS D 132 -11.356 -13.759 4.081 1.00 25.97 C ATOM 4282 CD LYS D 132 -11.952 -14.985 5.007 1.00 26.81 C ATOM 4283 CE LYS D 132 -12.396 -14.023 6.345 1.00 50.23 C ATOM 4284 NZ LYS D 132 -12.099 -16.364 7.125 1.00 63.38 N ATOM 4285 N VAL D 133 -12.646 -13.574 -0.320 1.00 13.42 N ATOM 4286 CA VAL D 133 -12.819 -14.186 -1.656 1.00 18.27 C ATOM 4287 C VAL D 133 -12.113 -13.235 -2.641 1.00 19.39 C ATOM 4288 O VAL D 133 -11.376 -13.757 -3.529 1.00 15.06 O ATOM 4289 CB VAL D 133 -14.347 -14.459 -2.009 1.00 17.40 C ATOM 4290 CG1 VAL D 133 -14.482 -14.527 -3.527 1.00 22.79 C ATOM 4291 CG2 VAL D 133 -14.897 -15.429 -1.020 1.00 19.90 C ATOM 4292 N VAL D 134 -12.419 -12.044 -2.631 1.00 14.66 N ATOM 4293 CA VAL D 134 -11.817 -11.184 -3.697 1.00 17.41 C ATOM 4294 C VAL D 134 -10.205 -10.998 -3.622 1.00 17.93 C ATOM 4295 O VAL D 134 -9.555 -11.088 -4.632 1.00 17.13 O ATOM 4296 CB VAL D 134 -12.523 -9.795 -3.826 1.00 16.69 C ATOM 4297 CG1 VAL D 134 -13.942 -9.809 -3.996 1.00 22.42 C ATOM 4298 CG2 VAL D 134 -12.135 -9.012 -2.596 1.00 16.30 C ATOM 4299 N ALA D 135 -9.754 -11.116 -2.425 1.00 16.25 N ATOM 4300 CA ALA D 135 -8.338 -11.031 -2.088 1.00 14.79 C ATOM 4301 C ALA D 135 -7.743 -12.494 -2.790 1.00 21.70 C ATOM 4302 O ALA D 135 -6.667 -12.571 -3.342 1.00 16.89 O ATOM 4303 CB ALA D 135 -7.946 -11.087 -0.719 1.00 18.34 C ATOM 4304 N GLY D 136 -8.430 -13.631 -2.593 1.00 17.40 N ATOM 4305 CA GLY D 136 -8.238 -14.854 -2.994 1.00 16.77 C ATOM 4306 C GLY D 136 -8.046 -14.863 -4.547 1.00 21.35 C ATOM 4307 O GLY D 136 -7.103 -15.386 -5.248 1.00 16.80 O ATOM 4308 N VAL D 137 -9.061 -14.287 -5.106 1.00 23.70 N ATOM 4309 CA VAL D 137 -9.117 -14.207 -6.516 1.00 26.49 C ATOM 4310 C VAL D 137 -8.271 -13.386 -7.311 1.00 33.07 C ATOM 4311 O VAL D 137 -7.434 -13.729 -8.023 1.00 30.90 O ATOM 4312 CB VAL D 137 -10.635 -13.731 -7.203 1.00 15.94 C ATOM 4313 CG1 VAL D 137 -10.606 -13.355 -8.722 1.00 21.57 C ATOM 4314 CG2 VAL D 137 -11.540 -14.757 -6.690 1.00 21.46 C ATOM 4315 N ALA D 138 -7.804 -12.254 -6.635 1.00 14.66 N ATOM 4316 CA ALA D 138 -6.688 -11.339 -7.074 1.00 18.95 C ATOM 4317 C ALA D 138 -5.417 -12.079 -7.070 1.00 18.17 C ATOM 4318 O ALA D 138 -4.593 -11.997 -7.851 1.00 14.81 O ATOM 4319 CB ALA D 138 -6.540 -10.040 -6.183 1.00 19.78 C ATOM 4320 N ASN D 139 -5.187 -12.811 -5.928 1.00 15.30 N ATOM 4321 CA ASN D 139 -3.937 -13.374 -5.586 1.00 18.41 C ATOM 4322 C ASN D 139 -3.703 -14.483 -6.697 1.00 25.63 C ATOM 4323 O ASN D 139 -2.635 -14.913 -7.329 1.00 23.38 O ATOM 4324 CB ASN D 139 -3.989 -14.050 -4.592 1.00 50.89 C ATOM 4325 CG ASN D 139 -3.194 -13.790 -3.503 1.00 63.06 C ATOM 4326 OD1 ASN D 139 -2.135 -15.017 -3.938 1.00 52.41 O ATOM 4327 ND2 ASN D 139 -3.072 -12.228 -3.482 1.00 29.84 N ATOM 4328 N ALA D 140 -4.873 -15.260 -6.949 1.00 19.40 N ATOM 4329 CA ALA D 140 -5.005 -16.402 -7.986 1.00 23.09 C ATOM 4330 C ALA D 140 -4.740 -15.710 -9.403 1.00 18.16 C ATOM 4331 O ALA D 140 -3.930 -16.420 -10.089 1.00 16.51 O ATOM 4332 CB ALA D 140 -6.303 -16.997 -8.071 1.00 18.14 C ATOM 4333 N LEU D 141 -5.172 -14.659 -9.775 1.00 14.97 N ATOM 4334 CA LEU D 141 -4.899 -14.068 -11.011 1.00 14.94 C ATOM 4335 C LEU D 141 -3.434 -13.602 -11.198 1.00 11.73 C ATOM 4336 O LEU D 141 -2.840 -13.285 -12.242 1.00 15.21 O ATOM 4337 CB LEU D 141 -6.006 -12.939 -11.311 1.00 15.16 C ATOM 4338 CG LEU D 141 -7.325 -13.394 -11.757 1.00 17.87 C ATOM 4339 CD1 LEU D 141 -7.836 -12.121 -12.278 1.00 24.86 C ATOM 4340 CD2 LEU D 141 -6.860 -13.940 -13.382 1.00 16.07 C ATOM 4341 N ALA D 142 -2.826 -13.097 -10.036 1.00 14.26 N ATOM 4342 CA ALA D 142 -1.439 -12.718 -10.054 1.00 17.21 C ATOM 4343 C ALA D 142 -0.379 -13.783 -9.991 1.00 18.46 C ATOM 4344 O ALA D 142 0.751 -13.412 -10.228 1.00 18.92 O ATOM 4345 CB ALA D 142 -1.279 -11.774 -8.892 1.00 19.11 C ATOM 4346 N HIS D 143 -0.748 -15.020 -9.767 1.00 19.75 N ATOM 4347 CA HIS D 143 0.079 -16.200 -9.518 1.00 26.63 C ATOM 4348 C HIS D 143 1.176 -16.436 -10.670 1.00 23.72 C ATOM 4349 O HIS D 143 2.224 -16.803 -10.136 1.00 24.41 O ATOM 4350 CB HIS D 143 -0.669 -17.339 -8.942 1.00 25.89 C ATOM 4351 CG HIS D 143 0.097 -18.406 -8.683 1.00 56.45 C ATOM 4352 ND1 HIS D 143 0.122 -19.475 -9.292 1.00 44.25 N ATOM 4353 CD2 HIS D 143 1.035 -18.261 -7.098 1.00 48.81 C ATOM 4354 CE1 HIS D 143 1.293 -20.089 -8.356 1.00 56.93 C ATOM 4355 NE2 HIS D 143 1.407 -19.517 -7.123 1.00 49.27 N ATOM 4356 N LYS D 144 0.773 -16.313 -11.824 1.00 19.26 N ATOM 4357 CA LYS D 144 1.442 -16.574 -13.172 1.00 33.94 C ATOM 4358 C LYS D 144 2.421 -15.633 -13.479 1.00 32.28 C ATOM 4359 O LYS D 144 2.996 -15.637 -14.654 1.00 23.60 O ATOM 4360 CB LYS D 144 1.055 -17.526 -13.968 1.00 31.20 C ATOM 4361 CG LYS D 144 0.220 -18.870 -13.388 1.00 40.85 C ATOM 4362 CD LYS D 144 1.002 -19.972 -13.512 1.00 59.03 C ATOM 4363 CE LYS D 144 0.888 -21.048 -13.306 1.00 56.19 C ATOM 4364 NZ LYS D 144 1.510 -22.846 -14.338 1.00 70.96 N ATOM 4365 N TYR D 145 2.435 -14.424 -12.946 1.00 24.92 N ATOM 4366 CA TYR D 145 3.207 -13.372 -13.244 1.00 29.13 C ATOM 4367 C TYR D 145 4.717 -13.524 -13.102 1.00 38.17 C ATOM 4368 O TYR D 145 5.061 -14.114 -12.139 1.00 27.99 O ATOM 4369 CB TYR D 145 2.744 -12.016 -12.590 1.00 17.99 C ATOM 4370 CG TYR D 145 1.621 -11.268 -13.262 1.00 17.42 C ATOM 4371 CD1 TYR D 145 1.523 -10.110 -13.925 1.00 16.93 C ATOM 4372 CD2 TYR D 145 0.375 -12.020 -13.134 1.00 18.60 C ATOM 4373 CE1 TYR D 145 0.498 -9.521 -14.492 1.00 17.99 C ATOM 4374 CE2 TYR D 145 -0.813 -11.356 -13.802 1.00 14.96 C ATOM 4375 CZ TYR D 145 -0.763 -10.275 -14.381 1.00 12.85 C ATOM 4376 OH TYR D 145 -1.813 -9.580 -14.987 1.00 13.31 O ATOM 4377 N HIS D 146 5.428 -13.165 -14.072 1.00 26.11 N ATOM 4378 CA HIS D 146 7.054 -13.167 -14.050 1.00 31.89 C ATOM 4379 C HIS D 146 7.429 -12.153 -15.048 1.00 21.33 C ATOM 4380 O HIS D 146 6.931 -11.249 -15.530 1.00 27.92 O ATOM 4381 CB HIS D 146 7.223 -14.769 -14.665 1.00 30.13 C ATOM 4382 CG HIS D 146 6.497 -14.789 -15.882 1.00 40.51 C ATOM 4383 ND1 HIS D 146 7.552 -14.702 -17.398 1.00 47.51 N ATOM 4384 CD2 HIS D 146 5.784 -14.325 -16.776 1.00 45.49 C ATOM 4385 CE1 HIS D 146 7.188 -14.800 -17.949 1.00 56.67 C ATOM 4386 NE2 HIS D 146 5.714 -14.339 -18.353 1.00 37.33 N ATOM 4387 OXT HIS D 146 8.812 -12.134 -14.847 1.00 21.61 O TER 4388 HIS D 146 HETATM 4389 CHA HEM A 142 8.585 7.902 -18.282 1.00 16.31 C HETATM 4390 CHB HEM A 142 10.355 9.805 -14.208 1.00 26.27 C HETATM 4391 CHC HEM A 142 8.341 6.363 -11.589 1.00 13.23 C HETATM 4392 CHD HEM A 142 6.988 4.088 -15.744 1.00 14.77 C HETATM 4393 C1A HEM A 142 9.141 8.725 -17.504 1.00 17.40 C HETATM 4394 C2A HEM A 142 10.098 9.952 -17.887 1.00 18.53 C HETATM 4395 C3A HEM A 142 10.636 10.499 -16.796 1.00 18.36 C HETATM 4396 C4A HEM A 142 10.137 9.679 -15.611 1.00 16.88 C HETATM 4397 CMA HEM A 142 11.613 11.590 -16.732 1.00 21.20 C HETATM 4398 CAA HEM A 142 10.403 10.367 -19.312 1.00 25.54 C HETATM 4399 CBA HEM A 142 9.552 11.270 -19.659 1.00 31.38 C HETATM 4400 CGA HEM A 142 10.793 12.286 -21.342 1.00 44.82 C HETATM 4401 O1A HEM A 142 9.887 11.345 -21.943 1.00 39.10 O HETATM 4402 O2A HEM A 142 9.308 12.698 -21.487 1.00 54.71 O HETATM 4403 C1B HEM A 142 9.938 9.271 -13.145 1.00 23.63 C HETATM 4404 C2B HEM A 142 10.318 9.380 -11.838 1.00 11.67 C HETATM 4405 C3B HEM A 142 9.660 8.341 -11.052 1.00 17.41 C HETATM 4406 C4B HEM A 142 9.028 7.467 -11.975 1.00 14.84 C HETATM 4407 CMB HEM A 142 11.048 10.634 -11.389 1.00 12.32 C HETATM 4408 CAB HEM A 142 9.567 8.336 -9.634 1.00 24.30 C HETATM 4409 CBB HEM A 142 10.576 8.441 -8.785 1.00 28.40 C HETATM 4410 C1C HEM A 142 7.680 5.498 -12.499 1.00 13.39 C HETATM 4411 C2C HEM A 142 7.270 4.198 -12.170 1.00 11.20 C HETATM 4412 C3C HEM A 142 6.975 3.441 -13.304 1.00 8.94 C HETATM 4413 C4C HEM A 142 7.207 4.445 -14.517 1.00 10.29 C HETATM 4414 CMC HEM A 142 7.098 3.618 -10.845 1.00 13.77 C HETATM 4415 CAC HEM A 142 6.342 2.184 -13.525 1.00 13.45 C HETATM 4416 CBC HEM A 142 6.722 1.153 -12.766 1.00 11.27 C HETATM 4417 C1D HEM A 142 7.302 4.989 -16.733 1.00 11.32 C HETATM 4418 C2D HEM A 142 7.141 4.644 -18.240 1.00 16.69 C HETATM 4419 C3D HEM A 142 7.540 5.718 -18.887 1.00 20.49 C HETATM 4420 C4D HEM A 142 8.172 6.582 -18.158 1.00 16.46 C HETATM 4421 CMD HEM A 142 6.354 3.385 -18.817 1.00 19.45 C HETATM 4422 CAD HEM A 142 7.621 5.740 -20.408 1.00 21.31 C HETATM 4423 CBD HEM A 142 8.764 5.354 -20.767 1.00 38.22 C HETATM 4424 CGD HEM A 142 9.138 5.049 -22.798 1.00 41.21 C HETATM 4425 O1D HEM A 142 9.998 5.836 -22.703 1.00 42.81 O HETATM 4426 O2D HEM A 142 8.349 4.920 -23.144 1.00 40.12 O HETATM 4427 NA HEM A 142 9.397 8.686 -16.211 1.00 16.46 N HETATM 4428 NB HEM A 142 9.343 8.012 -13.298 1.00 12.29 N HETATM 4429 NC HEM A 142 7.604 5.533 -13.949 1.00 15.07 N HETATM 4430 ND HEM A 142 7.715 6.202 -16.788 1.00 13.07 N HETATM 4431 FE HEM A 142 8.116 7.403 -15.045 1.00 18.07 FE HETATM 4432 P PO4 B 147 5.931 -21.573 3.319 1.00 32.97 P HETATM 4433 CHA HEM B 148 9.659 -10.155 20.773 1.00 21.59 C HETATM 4434 CHB HEM B 148 11.121 -12.190 16.575 1.00 16.50 C HETATM 4435 CHC HEM B 148 9.762 -8.175 14.122 1.00 16.82 C HETATM 4436 CHD HEM B 148 8.223 -6.187 18.294 1.00 16.19 C HETATM 4437 C1A HEM B 148 10.199 -10.977 19.856 1.00 24.57 C HETATM 4438 C2A HEM B 148 10.940 -12.186 20.114 1.00 17.10 C HETATM 4439 C3A HEM B 148 11.529 -12.852 19.028 1.00 13.46 C HETATM 4440 C4A HEM B 148 10.911 -11.942 17.916 1.00 18.78 C HETATM 4441 CMA HEM B 148 12.211 -14.084 18.855 1.00 20.21 C HETATM 4442 CAA HEM B 148 11.171 -12.750 21.554 1.00 21.16 C HETATM 4443 CBA HEM B 148 10.089 -13.674 21.941 1.00 27.78 C HETATM 4444 CGA HEM B 148 9.936 -14.643 23.585 1.00 59.12 C HETATM 4445 O1A HEM B 148 10.040 -13.299 24.151 1.00 44.32 O HETATM 4446 O2A HEM B 148 9.582 -15.171 23.405 1.00 46.16 O HETATM 4447 C1B HEM B 148 10.820 -11.284 15.524 1.00 10.36 C HETATM 4448 C2B HEM B 148 11.247 -11.528 14.048 1.00 7.33 C HETATM 4449 C3B HEM B 148 10.827 -10.448 13.495 1.00 15.63 C HETATM 4450 C4B HEM B 148 10.176 -9.458 14.534 1.00 15.33 C HETATM 4451 CMB HEM B 148 11.793 -12.748 13.802 1.00 14.96 C HETATM 4452 CAB HEM B 148 10.965 -10.083 11.934 1.00 19.63 C HETATM 4453 CBB HEM B 148 12.063 -10.466 11.288 1.00 39.39 C HETATM 4454 C1C HEM B 148 9.223 -7.280 15.193 1.00 14.39 C HETATM 4455 C2C HEM B 148 8.943 -5.947 14.698 1.00 10.78 C HETATM 4456 C3C HEM B 148 8.461 -5.188 15.934 1.00 10.68 C HETATM 4457 C4C HEM B 148 8.575 -6.422 16.809 1.00 8.70 C HETATM 4458 CMC HEM B 148 9.067 -5.306 13.381 1.00 13.95 C HETATM 4459 CAC HEM B 148 7.915 -3.899 16.132 1.00 11.87 C HETATM 4460 CBC HEM B 148 8.359 -2.863 15.599 1.00 12.63 C HETATM 4461 C1D HEM B 148 8.576 -7.046 19.346 1.00 18.32 C HETATM 4462 C2D HEM B 148 8.195 -6.791 20.753 1.00 15.48 C HETATM 4463 C3D HEM B 148 8.512 -8.051 21.256 1.00 14.57 C HETATM 4464 C4D HEM B 148 9.290 -8.905 20.340 1.00 20.76 C HETATM 4465 CMD HEM B 148 7.722 -5.449 21.269 1.00 27.50 C HETATM 4466 CAD HEM B 148 8.696 -7.989 22.865 1.00 13.85 C HETATM 4467 CBD HEM B 148 10.051 -7.739 23.453 1.00 17.11 C HETATM 4468 CGD HEM B 148 10.333 -8.222 25.219 1.00 27.09 C HETATM 4469 O1D HEM B 148 11.372 -7.572 25.386 1.00 27.49 O HETATM 4470 O2D HEM B 148 9.169 -8.132 25.625 1.00 23.65 O HETATM 4471 NA HEM B 148 10.260 -10.823 18.453 1.00 15.64 N HETATM 4472 NB HEM B 148 10.199 -10.051 15.722 1.00 12.71 N HETATM 4473 NC HEM B 148 9.104 -7.643 16.544 1.00 11.22 N HETATM 4474 ND HEM B 148 9.090 -8.239 19.067 1.00 16.72 N HETATM 4475 FE HEM B 148 9.333 -9.335 17.389 1.00 15.00 FE HETATM 4476 CHA HEM C 142 -8.630 7.776 18.352 1.00 18.96 C HETATM 4477 CHB HEM C 142 -10.320 10.048 14.384 1.00 20.49 C HETATM 4478 CHC HEM C 142 -8.304 6.446 11.794 1.00 15.25 C HETATM 4479 CHD HEM C 142 -6.900 4.052 15.698 1.00 14.70 C HETATM 4480 C1A HEM C 142 -9.195 8.664 17.417 1.00 16.72 C HETATM 4481 C2A HEM C 142 -10.045 9.791 17.916 1.00 15.73 C HETATM 4482 C3A HEM C 142 -10.613 10.462 16.942 1.00 17.27 C HETATM 4483 C4A HEM C 142 -10.077 9.749 15.710 1.00 12.07 C HETATM 4484 CMA HEM C 142 -11.422 11.658 16.756 1.00 31.88 C HETATM 4485 CAA HEM C 142 -10.321 10.351 19.308 1.00 24.60 C HETATM 4486 CBA HEM C 142 -9.201 11.341 19.696 1.00 36.28 C HETATM 4487 CGA HEM C 142 -10.014 12.024 21.724 1.00 43.70 C HETATM 4488 O1A HEM C 142 -9.511 10.786 22.089 1.00 38.93 O HETATM 4489 O2A HEM C 142 -9.503 12.583 21.415 1.00 46.28 O HETATM 4490 C1B HEM C 142 -9.882 9.419 13.260 1.00 18.45 C HETATM 4491 C2B HEM C 142 -10.342 9.474 11.782 1.00 12.95 C HETATM 4492 C3B HEM C 142 -9.631 8.558 11.160 1.00 12.49 C HETATM 4493 C4B HEM C 142 -8.945 7.665 12.157 1.00 8.33 C HETATM 4494 CMB HEM C 142 -11.015 10.631 11.441 1.00 15.16 C HETATM 4495 CAB HEM C 142 -9.701 8.335 9.552 1.00 21.83 C HETATM 4496 CBB HEM C 142 -10.742 8.875 9.052 1.00 33.11 C HETATM 4497 C1C HEM C 142 -7.751 5.629 12.596 1.00 15.97 C HETATM 4498 C2C HEM C 142 -7.320 4.232 12.130 1.00 9.41 C HETATM 4499 C3C HEM C 142 -6.879 3.543 13.304 1.00 11.73 C HETATM 4500 C4C HEM C 142 -7.009 4.441 14.484 1.00 15.36 C HETATM 4501 CMC HEM C 142 -7.210 3.774 10.722 1.00 13.23 C HETATM 4502 CAC HEM C 142 -6.459 2.233 13.437 1.00 19.55 C HETATM 4503 CBC HEM C 142 -6.761 1.082 12.572 1.00 14.52 C HETATM 4504 C1D HEM C 142 -7.305 4.996 16.751 1.00 11.54 C HETATM 4505 C2D HEM C 142 -6.959 4.620 18.250 1.00 12.94 C HETATM 4506 C3D HEM C 142 -7.527 5.654 18.907 1.00 11.38 C HETATM 4507 C4D HEM C 142 -7.947 6.663 18.081 1.00 11.29 C HETATM 4508 CMD HEM C 142 -6.299 3.375 18.648 1.00 13.29 C HETATM 4509 CAD HEM C 142 -7.594 5.618 20.504 1.00 15.84 C HETATM 4510 CBD HEM C 142 -8.833 5.076 20.877 1.00 21.27 C HETATM 4511 CGD HEM C 142 -9.085 5.314 22.774 1.00 26.94 C HETATM 4512 O1D HEM C 142 -10.036 5.486 22.824 1.00 30.21 O HETATM 4513 O2D HEM C 142 -8.326 4.541 23.113 1.00 25.95 O HETATM 4514 NA HEM C 142 -9.276 8.702 16.089 1.00 16.55 N HETATM 4515 NB HEM C 142 -9.138 8.185 13.333 1.00 12.79 N HETATM 4516 NC HEM C 142 -7.518 5.627 13.990 1.00 12.28 N HETATM 4517 ND HEM C 142 -7.740 6.303 16.793 1.00 12.30 N HETATM 4518 FE HEM C 142 -8.129 7.348 15.002 1.00 16.89 FE HETATM 4519 P PO4 D 147 -6.147 -21.111 -3.332 1.00 31.17 P HETATM 4520 CHA HEM D 148 -9.813 -9.884 -20.599 1.00 19.84 C HETATM 4521 CHB HEM D 148 -11.252 -11.989 -16.610 1.00 16.61 C HETATM 4522 CHC HEM D 148 -9.951 -8.302 -14.119 1.00 13.93 C HETATM 4523 CHD HEM D 148 -8.200 -5.985 -18.127 1.00 15.88 C HETATM 4524 C1A HEM D 148 -10.428 -10.865 -19.783 1.00 28.09 C HETATM 4525 C2A HEM D 148 -11.318 -12.071 -20.258 1.00 22.30 C HETATM 4526 C3A HEM D 148 -11.693 -12.664 -19.188 1.00 22.59 C HETATM 4527 C4A HEM D 148 -11.051 -11.756 -18.004 1.00 25.38 C HETATM 4528 CMA HEM D 148 -12.566 -13.772 -18.973 1.00 20.23 C HETATM 4529 CAA HEM D 148 -11.486 -12.464 -21.884 1.00 19.24 C HETATM 4530 CBA HEM D 148 -10.405 -12.971 -22.194 1.00 50.08 C HETATM 4531 CGA HEM D 148 -9.805 -13.296 -24.484 1.00 47.00 C HETATM 4532 O1A HEM D 148 -11.117 -13.581 -24.158 1.00 49.99 O HETATM 4533 O2A HEM D 148 -9.172 -14.946 -24.346 1.00 55.24 O HETATM 4534 C1B HEM D 148 -10.937 -11.332 -15.462 1.00 14.32 C HETATM 4535 C2B HEM D 148 -11.232 -11.509 -14.176 1.00 15.75 C HETATM 4536 C3B HEM D 148 -10.801 -10.525 -13.479 1.00 14.95 C HETATM 4537 C4B HEM D 148 -10.217 -9.585 -14.421 1.00 12.78 C HETATM 4538 CMB HEM D 148 -11.799 -12.726 -13.757 1.00 18.74 C HETATM 4539 CAB HEM D 148 -10.869 -10.291 -11.895 1.00 16.19 C HETATM 4540 CBB HEM D 148 -11.756 -10.396 -11.494 1.00 34.22 C HETATM 4541 C1C HEM D 148 -9.469 -7.417 -14.891 1.00 14.15 C HETATM 4542 C2C HEM D 148 -8.915 -5.898 -14.609 1.00 16.84 C HETATM 4543 C3C HEM D 148 -8.353 -5.322 -15.741 1.00 13.21 C HETATM 4544 C4C HEM D 148 -8.605 -6.360 -16.751 1.00 15.07 C HETATM 4545 CMC HEM D 148 -9.128 -5.229 -13.166 1.00 18.77 C HETATM 4546 CAC HEM D 148 -7.843 -4.077 -15.916 1.00 13.84 C HETATM 4547 CBC HEM D 148 -8.331 -3.032 -15.408 1.00 20.77 C HETATM 4548 C1D HEM D 148 -8.465 -7.065 -19.281 1.00 18.28 C HETATM 4549 C2D HEM D 148 -8.394 -6.595 -20.574 1.00 20.40 C HETATM 4550 C3D HEM D 148 -8.861 -7.841 -21.341 1.00 19.16 C HETATM 4551 C4D HEM D 148 -9.573 -8.702 -20.531 1.00 19.80 C HETATM 4552 CMD HEM D 148 -7.686 -5.397 -21.106 1.00 25.65 C HETATM 4553 CAD HEM D 148 -8.956 -7.733 -22.890 1.00 23.94 C HETATM 4554 CBD HEM D 148 -10.040 -6.949 -23.304 1.00 45.78 C HETATM 4555 CGD HEM D 148 -10.579 -7.365 -25.200 1.00 48.49 C HETATM 4556 O1D HEM D 148 -9.907 -5.916 -25.395 1.00 40.71 O HETATM 4557 O2D HEM D 148 -9.982 -7.978 -25.490 1.00 45.79 O HETATM 4558 NA HEM D 148 -10.454 -10.804 -18.459 1.00 15.98 N HETATM 4559 NB HEM D 148 -10.364 -9.999 -15.688 1.00 14.27 N HETATM 4560 NC HEM D 148 -9.228 -7.489 -16.235 1.00 12.21 N HETATM 4561 ND HEM D 148 -9.282 -8.209 -19.162 1.00 12.94 N HETATM 4562 FE HEM D 148 -9.504 -9.265 -17.387 1.00 15.46 FE HETATM 4563 O HOH A 143 27.864 0.667 0.584 1.00 21.15 O HETATM 4564 O HOH A 144 10.459 5.072 -14.201 1.00 29.96 O HETATM 4565 O HOH A 145 17.782 -1.325 -26.109 1.00 23.65 O HETATM 4566 O HOH A 146 13.825 2.114 3.861 1.00 23.17 O HETATM 4567 O HOH A 147 16.741 12.813 9.083 1.00 26.86 O HETATM 4568 O HOH A 148 22.374 9.235 11.515 1.00 30.53 O HETATM 4569 O HOH A 149 25.903 -1.921 -7.245 1.00 27.68 O HETATM 4570 O HOH A 150 11.472 3.167 0.508 1.00 27.27 O HETATM 4571 O HOH A 151 30.661 6.822 -0.101 1.00 29.31 O HETATM 4572 O HOH A 152 -3.585 1.717 -5.969 1.00 29.54 O HETATM 4573 O HOH A 153 32.341 10.298 6.014 1.00 35.74 O HETATM 4574 O HOH A 154 34.406 10.442 4.080 1.00 31.58 O HETATM 4575 O HOH A 155 30.017 0.297 -1.177 1.00 37.73 O HETATM 4576 O HOH A 156 21.428 14.396 -13.024 1.00 37.58 O HETATM 4577 O HOH A 157 10.103 6.463 -0.224 1.00 29.83 O HETATM 4578 O HOH A 158 28.011 -0.672 -5.493 1.00 34.75 O HETATM 4579 O HOH A 159 12.221 6.676 -21.742 1.00 35.95 O HETATM 4580 O HOH A 160 0.070 13.369 -11.506 1.00 27.36 O HETATM 4581 O HOH A 161 6.073 -7.542 -8.224 1.00 27.80 O HETATM 4582 O HOH A 162 0.959 -1.910 -19.919 1.00 29.65 O HETATM 4583 O HOH A 163 -5.435 9.067 -14.288 1.00 30.27 O HETATM 4584 O HOH A 164 3.108 18.897 -10.351 1.00 37.13 O HETATM 4585 O HOH A 165 9.253 2.690 -0.595 1.00 31.92 O HETATM 4586 O HOH A 166 3.509 1.516 -20.390 1.00 30.86 O HETATM 4587 O HOH A 167 7.323 6.472 -2.528 1.00 34.91 O HETATM 4588 O HOH A 168 8.069 21.100 -2.836 1.00 34.13 O HETATM 4589 O HOH A 169 22.069 5.076 -17.599 1.00 36.10 O HETATM 4590 O HOH A 170 12.511 23.031 -13.238 1.00 37.77 O HETATM 4591 O HOH A 171 27.846 5.439 7.283 1.00 39.01 O HETATM 4592 O HOH A 172 16.593 -6.697 -7.432 1.00 35.74 O HETATM 4593 O HOH A 173 19.969 -3.554 -17.319 1.00 36.03 O HETATM 4594 O HOH A 174 14.440 13.918 -17.292 1.00 34.06 O HETATM 4595 O HOH A 175 30.151 3.417 -5.741 1.00 35.04 O HETATM 4596 O HOH A 176 8.360 5.321 2.557 1.00 38.02 O HETATM 4597 O HOH A 177 -6.479 11.748 -17.967 1.00 39.72 O HETATM 4598 O HOH A 178 8.608 18.432 -15.341 1.00 36.40 O HETATM 4599 O HOH A 179 13.827 13.620 8.994 1.00 37.52 O HETATM 4600 O HOH A 180 16.070 12.039 11.262 1.00 38.53 O HETATM 4601 O HOH A 181 2.747 5.937 -4.128 1.00 42.85 O HETATM 4602 O HOH A 182 7.523 20.881 -15.648 1.00 39.27 O HETATM 4603 O HOH A 183 11.712 -10.960 -5.769 1.00 38.61 O HETATM 4604 O HOH A 184 30.119 4.139 -8.587 1.00 34.80 O HETATM 4605 O HOH A 185 25.533 1.205 -11.184 1.00 42.30 O HETATM 4606 O HOH A 186 -4.812 12.384 -7.265 1.00 38.29 O HETATM 4607 O HOH A 187 23.809 19.925 1.758 1.00 39.37 O HETATM 4608 O HOH A 188 26.015 11.766 5.159 1.00 40.95 O HETATM 4609 O HOH A 189 14.639 24.823 -4.300 1.00 41.35 O HETATM 4610 O HOH A 190 14.903 5.393 -23.047 1.00 37.45 O HETATM 4611 O HOH A 191 16.650 -5.137 -16.717 1.00 39.12 O HETATM 4612 O HOH A 192 7.424 -6.700 -20.085 1.00 38.62 O HETATM 4613 O HOH A 193 23.120 -3.118 -12.992 1.00 37.05 O HETATM 4614 O HOH A 194 23.664 0.968 -14.389 1.00 36.25 O HETATM 4615 O HOH A 195 25.698 7.981 -15.362 1.00 35.85 O HETATM 4616 O HOH A 196 30.009 16.347 -6.794 1.00 37.62 O HETATM 4617 O HOH A 197 27.728 16.677 -1.376 1.00 42.54 O HETATM 4618 O HOH A 198 8.142 18.836 1.041 1.00 39.90 O HETATM 4619 O HOH B 149 0.093 -2.470 16.222 1.00 21.64 O HETATM 4620 O HOH B 150 -5.404 -9.289 14.863 1.00 29.94 O HETATM 4621 O HOH B 151 17.543 -13.863 -8.044 1.00 26.33 O HETATM 4622 O HOH B 152 10.126 -8.396 -0.639 1.00 27.87 O HETATM 4623 O HOH B 153 25.765 -4.888 -7.482 1.00 33.60 O HETATM 4624 O HOH B 154 31.028 -6.924 -0.005 1.00 27.86 O HETATM 4625 O HOH B 155 10.572 -9.505 7.329 1.00 34.89 O HETATM 4626 O HOH B 156 2.908 -19.221 10.523 1.00 29.82 O HETATM 4627 O HOH B 157 27.245 -11.383 -5.263 1.00 34.30 O HETATM 4628 O HOH B 158 5.726 -17.664 4.076 1.00 29.36 O HETATM 4629 O HOH B 159 30.677 -1.382 -3.264 1.00 34.23 O HETATM 4630 O HOH B 160 21.396 -19.202 9.299 1.00 34.06 O HETATM 4631 O HOH B 161 3.400 -4.625 22.878 1.00 34.98 O HETATM 4632 O HOH B 162 23.029 7.858 13.868 1.00 34.02 O HETATM 4633 O HOH B 163 10.054 0.537 2.970 1.00 33.29 O HETATM 4634 O HOH B 164 16.523 -14.815 19.144 1.00 32.12 O HETATM 4635 O HOH B 165 -3.521 -7.996 18.788 1.00 35.56 O HETATM 4636 O HOH B 166 9.429 -6.067 3.140 1.00 34.98 O HETATM 4637 O HOH B 167 25.800 -14.208 -2.740 1.00 37.65 O HETATM 4638 O HOH B 168 0.313 -14.430 5.859 1.00 34.45 O HETATM 4639 O HOH B 169 25.879 -15.224 10.033 1.00 33.37 O HETATM 4640 O HOH B 170 35.602 -4.153 -9.289 1.00 35.71 O HETATM 4641 O HOH B 171 20.781 6.254 23.632 1.00 38.68 O HETATM 4642 O HOH B 172 21.800 -18.543 12.994 1.00 40.56 O HETATM 4643 O HOH B 173 7.807 -19.735 16.230 1.00 34.56 O HETATM 4644 O HOH B 174 -2.047 -12.487 30.048 1.00 36.28 O HETATM 4645 O HOH B 175 13.681 -7.349 23.790 1.00 31.60 O HETATM 4646 O HOH B 176 24.831 -18.968 5.896 1.00 34.00 O HETATM 4647 O HOH B 177 5.475 -5.297 23.977 1.00 36.71 O HETATM 4648 O HOH B 178 15.904 -5.466 24.689 1.00 34.84 O HETATM 4649 O HOH B 179 22.123 0.182 16.584 1.00 33.20 O HETATM 4650 O HOH B 180 19.207 -15.705 -9.408 1.00 37.19 O HETATM 4651 O HOH B 181 25.174 -12.029 -8.381 1.00 35.87 O HETATM 4652 O HOH B 182 -10.362 -13.333 12.465 1.00 36.08 O HETATM 4653 O HOH B 183 12.092 8.997 23.297 1.00 38.22 O HETATM 4654 O HOH B 184 7.727 5.204 22.116 1.00 43.17 O HETATM 4655 O HOH B 185 30.137 -14.006 10.129 1.00 36.03 O HETATM 4656 O HOH B 186 13.730 -18.833 14.202 1.00 39.57 O HETATM 4657 O HOH B 187 22.379 8.870 23.585 1.00 37.45 O HETATM 4658 O HOH B 188 -4.205 -14.646 8.671 1.00 38.65 O HETATM 4659 O HOH B 189 12.589 14.261 19.653 1.00 36.93 O HETATM 4660 O HOH B 190 24.652 6.230 17.996 1.00 42.01 O HETATM 4661 O HOH B 191 8.775 -23.438 16.055 1.00 42.33 O HETATM 4662 O HOH B 192 -7.480 -10.898 17.998 1.00 38.06 O HETATM 4663 O HOH B 193 11.388 -11.044 24.763 1.00 39.34 O HETATM 4664 O HOH B 194 3.735 -3.643 2.734 1.00 42.17 O HETATM 4665 O HOH B 195 3.149 -0.692 2.083 1.00 41.40 O HETATM 4666 O HOH B 196 4.511 -25.886 13.006 1.00 39.83 O HETATM 4667 O HOH B 197 8.712 -21.655 3.577 1.00 43.08 O HETATM 4668 O HOH B 198 22.926 -4.304 24.079 1.00 38.10 O HETATM 4669 O HOH B 199 11.435 9.654 20.618 1.00 40.23 O HETATM 4670 O HOH B 200 18.099 5.542 27.744 1.00 39.03 O HETATM 4671 O HOH B 201 12.174 9.951 9.804 1.00 44.34 O HETATM 4672 O HOH B 202 24.745 -2.501 15.270 1.00 39.78 O HETATM 4673 O HOH B 203 24.231 0.100 14.764 1.00 42.94 O HETATM 4674 O HOH B 204 23.324 -18.136 10.981 1.00 53.60 O HETATM 4675 O HOH B 205 25.576 -22.211 6.309 1.00 45.18 O HETATM 4676 O HOH C 143 -2.661 -3.608 9.261 1.00 21.26 O HETATM 4677 O HOH C 144 0.111 13.200 11.373 1.00 21.54 O HETATM 4678 O HOH C 145 -16.704 12.691 -9.201 1.00 23.30 O HETATM 4679 O HOH C 146 -13.774 2.466 -4.032 1.00 22.15 O HETATM 4680 O HOH C 147 5.273 9.077 14.193 1.00 28.02 O HETATM 4681 O HOH C 148 -11.466 3.494 -0.405 1.00 32.97 O HETATM 4682 O HOH C 149 -10.454 4.898 14.327 1.00 33.04 O HETATM 4683 O HOH C 150 -7.824 6.701 2.273 1.00 27.40 O HETATM 4684 O HOH C 151 -1.248 -1.596 20.098 1.00 29.84 O HETATM 4685 O HOH C 152 2.150 -0.244 14.446 1.00 30.74 O HETATM 4686 O HOH C 153 -2.060 18.771 19.773 1.00 29.22 O HETATM 4687 O HOH C 154 -21.154 14.002 13.362 1.00 32.40 O HETATM 4688 O HOH C 155 -9.105 3.030 0.663 1.00 28.46 O HETATM 4689 O HOH C 156 0.739 12.802 4.676 1.00 38.51 O HETATM 4690 O HOH C 157 -8.549 18.107 15.436 1.00 35.20 O HETATM 4691 O HOH C 158 -3.358 1.489 20.400 1.00 39.88 O HETATM 4692 O HOH C 159 -2.351 -4.643 6.766 1.00 36.39 O HETATM 4693 O HOH C 160 -9.995 6.820 0.255 1.00 29.81 O HETATM 4694 O HOH C 161 -1.621 21.259 16.530 1.00 33.74 O HETATM 4695 O HOH C 162 -5.469 23.850 15.062 1.00 31.03 O HETATM 4696 O HOH C 163 3.572 1.751 6.044 1.00 29.72 O HETATM 4697 O HOH C 164 -12.295 6.520 21.611 1.00 31.11 O HETATM 4698 O HOH C 165 -14.251 13.845 17.234 1.00 30.77 O HETATM 4699 O HOH C 166 -17.414 -5.952 27.962 1.00 34.94 O HETATM 4700 O HOH C 167 -3.547 16.435 20.027 1.00 34.58 O HETATM 4701 O HOH C 168 -16.355 -6.652 7.174 1.00 37.69 O HETATM 4702 O HOH C 169 -7.541 12.855 -2.773 1.00 34.39 O HETATM 4703 O HOH C 170 -4.225 9.070 1.455 1.00 35.72 O HETATM 4704 O HOH C 171 -25.974 -1.828 7.173 1.00 32.50 O HETATM 4705 O HOH C 172 -9.581 -6.364 21.942 1.00 37.91 O HETATM 4706 O HOH C 173 -14.874 4.521 23.126 1.00 36.81 O HETATM 4707 O HOH C 174 -15.534 20.875 -10.339 1.00 37.83 O HETATM 4708 O HOH C 175 -8.242 21.385 2.969 1.00 35.70 O HETATM 4709 O HOH C 176 -5.634 24.523 6.954 1.00 37.22 O HETATM 4710 O HOH C 177 -22.981 14.501 -8.660 1.00 34.30 O HETATM 4711 O HOH C 178 -13.871 16.688 -10.143 1.00 36.92 O HETATM 4712 O HOH C 179 -20.275 19.235 8.097 1.00 34.30 O HETATM 4713 O HOH C 180 1.720 15.273 3.670 1.00 39.46 O HETATM 4714 O HOH C 181 -2.824 18.993 10.315 1.00 37.49 O HETATM 4715 O HOH C 182 -2.160 0.091 22.111 1.00 39.39 O HETATM 4716 O HOH C 183 7.922 12.037 14.216 1.00 34.40 O HETATM 4717 O HOH C 184 -2.698 5.986 4.174 1.00 37.01 O HETATM 4718 O HOH C 185 6.321 10.115 3.931 1.00 35.17 O HETATM 4719 O HOH C 186 -7.096 21.140 15.539 1.00 35.39 O HETATM 4720 O HOH C 187 -10.581 17.364 16.459 1.00 39.95 O HETATM 4721 O HOH C 188 -4.668 13.050 -0.747 1.00 39.36 O HETATM 4722 O HOH C 189 -4.764 -6.228 5.515 1.00 40.89 O HETATM 4723 O HOH C 190 4.693 12.083 7.558 1.00 40.24 O HETATM 4724 O HOH C 191 -4.731 16.453 2.295 1.00 36.37 O HETATM 4725 O HOH C 192 -1.055 11.866 -0.448 1.00 43.19 O HETATM 4726 O HOH C 193 -18.517 -8.355 15.267 1.00 35.55 O HETATM 4727 O HOH C 194 6.547 9.706 16.296 1.00 41.86 O HETATM 4728 O HOH C 195 0.029 22.606 14.164 1.00 43.02 O HETATM 4729 O HOH C 196 -11.367 0.306 28.463 1.00 44.30 O HETATM 4730 O HOH C 197 -19.950 -10.635 14.301 1.00 40.17 O HETATM 4731 O HOH C 198 -7.047 -6.324 20.098 1.00 36.98 O HETATM 4732 O HOH C 199 -23.876 1.108 14.102 1.00 33.31 O HETATM 4733 O HOH C 200 -34.199 8.033 11.037 1.00 40.72 O HETATM 4734 O HOH C 201 -14.173 13.393 -8.778 1.00 43.21 O HETATM 4735 O HOH D 149 0.061 -2.494 -16.397 1.00 18.64 O HETATM 4736 O HOH D 150 -8.041 -19.581 -16.153 1.00 26.28 O HETATM 4737 O HOH D 151 2.825 -3.769 -9.602 1.00 23.08 O HETATM 4738 O HOH D 152 -2.494 -0.118 -14.151 1.00 25.33 O HETATM 4739 O HOH D 153 -9.792 -8.060 0.750 1.00 30.48 O HETATM 4740 O HOH D 154 -6.518 -22.534 -15.665 1.00 34.60 O HETATM 4741 O HOH D 155 -17.398 -13.549 8.357 1.00 35.82 O HETATM 4742 O HOH D 156 5.350 -9.378 -15.018 1.00 27.68 O HETATM 4743 O HOH D 157 -6.300 -24.347 -19.100 1.00 35.93 O HETATM 4744 O HOH D 158 -9.520 7.447 -21.130 1.00 40.04 O HETATM 4745 O HOH D 159 -16.425 -5.250 -24.764 1.00 32.57 O HETATM 4746 O HOH D 160 -7.987 -14.493 1.146 1.00 34.30 O HETATM 4747 O HOH D 161 -3.890 0.572 -11.856 1.00 34.78 O HETATM 4748 O HOH D 162 -29.504 -0.198 -4.474 1.00 38.63 O HETATM 4749 O HOH D 163 -25.631 -15.732 -9.906 1.00 33.22 O HETATM 4750 O HOH D 164 -2.623 -18.453 -21.128 1.00 35.47 O HETATM 4751 O HOH D 165 -2.780 -19.130 -10.800 1.00 30.23 O HETATM 4752 O HOH D 166 -25.734 -4.456 7.605 1.00 34.33 O HETATM 4753 O HOH D 167 -11.771 -10.816 5.496 1.00 38.68 O HETATM 4754 O HOH D 168 -9.924 0.291 -2.970 1.00 38.71 O HETATM 4755 O HOH D 169 -25.514 -14.066 2.449 1.00 36.60 O HETATM 4756 O HOH D 170 -5.455 -17.392 -4.316 1.00 34.43 O HETATM 4757 O HOH D 171 2.688 -11.418 -8.564 1.00 35.73 O HETATM 4758 O HOH D 172 7.091 -10.993 -18.224 1.00 32.39 O HETATM 4759 O HOH D 173 -9.377 -6.399 -3.029 1.00 35.44 O HETATM 4760 O HOH D 174 -16.565 -17.782 -17.506 1.00 41.02 O HETATM 4761 O HOH D 175 -8.141 -3.463 -24.390 1.00 37.14 O HETATM 4762 O HOH D 176 -16.560 -15.177 -19.016 1.00 34.89 O HETATM 4763 O HOH D 177 3.477 -8.048 -19.033 1.00 35.94 O HETATM 4764 O HOH D 178 -24.698 -11.573 8.724 1.00 38.01 O HETATM 4765 O HOH D 179 2.193 -4.435 -6.557 1.00 38.51 O HETATM 4766 O HOH D 180 -29.898 -16.926 -2.135 1.00 36.37 O HETATM 4767 O HOH D 181 -7.374 8.034 -17.831 1.00 34.05 O HETATM 4768 O HOH D 182 -24.015 0.401 -15.301 1.00 39.14 O HETATM 4769 O HOH D 183 -12.141 9.790 -10.238 1.00 38.30 O HETATM 4770 O HOH D 184 -5.765 -3.569 -23.682 1.00 36.68 O HETATM 4771 O HOH D 185 -4.860 -9.811 -2.967 1.00 37.10 O HETATM 4772 O HOH D 186 -23.107 -4.490 -24.359 1.00 37.97 O HETATM 4773 O HOH D 187 -10.377 -9.632 -7.043 1.00 38.85 O HETATM 4774 O HOH D 188 -7.871 -9.078 2.406 1.00 43.37 O HETATM 4775 O HOH D 189 -27.610 -10.991 5.353 1.00 43.46 O HETATM 4776 O HOH D 190 -14.034 2.806 -30.367 1.00 41.77 O HETATM 4777 O HOH D 191 -32.905 -9.033 0.480 1.00 43.68 O HETATM 4778 O HOH D 192 -28.749 -13.315 1.938 1.00 45.36 O HETATM 4779 O HOH D 193 0.516 -8.074 -26.354 1.00 41.53 O HETATM 4780 O HOH D 194 -20.080 -9.873 -22.862 1.00 36.25 O HETATM 4781 O HOH D 195 -13.442 9.778 -13.572 1.00 39.70 O HETATM 4782 O HOH D 196 -24.804 -2.608 -15.488 1.00 37.79 O HETATM 4783 O HOH D 197 -1.263 -2.837 -21.251 1.00 45.10 O CONECT 650 4431 CONECT 1771 4475 CONECT 2844 4518 CONECT 3965 4562 CONECT 4389 4393 4420 CONECT 4390 4396 4403 CONECT 4391 4406 4410 CONECT 4392 4413 4417 CONECT 4393 4389 4394 4427 CONECT 4394 4393 4395 4398 CONECT 4395 4394 4396 4397 CONECT 4396 4390 4395 4427 CONECT 4397 4395 CONECT 4398 4394 4399 CONECT 4399 4398 4400 CONECT 4400 4399 4401 4402 CONECT 4401 4400 CONECT 4402 4400 CONECT 4403 4390 4404 4428 CONECT 4404 4403 4405 4407 CONECT 4405 4404 4406 4408 CONECT 4406 4391 4405 4428 CONECT 4407 4404 CONECT 4408 4405 4409 CONECT 4409 4408 CONECT 4410 4391 4411 4429 CONECT 4411 4410 4412 4414 CONECT 4412 4411 4413 4415 CONECT 4413 4392 4412 4429 CONECT 4414 4411 CONECT 4415 4412 4416 CONECT 4416 4415 CONECT 4417 4392 4418 4430 CONECT 4418 4417 4419 4421 CONECT 4419 4418 4420 4422 CONECT 4420 4389 4419 4430 CONECT 4421 4418 CONECT 4422 4419 4423 CONECT 4423 4422 4424 CONECT 4424 4423 4425 4426 CONECT 4425 4424 CONECT 4426 4424 CONECT 4427 4393 4396 4431 CONECT 4428 4403 4406 4431 CONECT 4429 4410 4413 4431 CONECT 4430 4417 4420 4431 CONECT 4431 650 4427 4428 4429 CONECT 4431 4430 CONECT 4433 4437 4464 CONECT 4434 4440 4447 CONECT 4435 4450 4454 CONECT 4436 4457 4461 CONECT 4437 4433 4438 4471 CONECT 4438 4437 4439 4442 CONECT 4439 4438 4440 4441 CONECT 4440 4434 4439 4471 CONECT 4441 4439 CONECT 4442 4438 4443 CONECT 4443 4442 4444 CONECT 4444 4443 4445 4446 CONECT 4445 4444 CONECT 4446 4444 CONECT 4447 4434 4448 4472 CONECT 4448 4447 4449 4451 CONECT 4449 4448 4450 4452 CONECT 4450 4435 4449 4472 CONECT 4451 4448 CONECT 4452 4449 4453 CONECT 4453 4452 CONECT 4454 4435 4455 4473 CONECT 4455 4454 4456 4458 CONECT 4456 4455 4457 4459 CONECT 4457 4436 4456 4473 CONECT 4458 4455 CONECT 4459 4456 4460 CONECT 4460 4459 CONECT 4461 4436 4462 4474 CONECT 4462 4461 4463 4465 CONECT 4463 4462 4464 4466 CONECT 4464 4433 4463 4474 CONECT 4465 4462 CONECT 4466 4463 4467 CONECT 4467 4466 4468 CONECT 4468 4467 4469 4470 CONECT 4469 4468 CONECT 4470 4468 CONECT 4471 4437 4440 4475 CONECT 4472 4447 4450 4475 CONECT 4473 4454 4457 4475 CONECT 4474 4461 4464 4475 CONECT 4475 1771 4471 4472 4473 CONECT 4475 4474 CONECT 4476 4480 4507 CONECT 4477 4483 4490 CONECT 4478 4493 4497 CONECT 4479 4500 4504 CONECT 4480 4476 4481 4514 CONECT 4481 4480 4482 4485 CONECT 4482 4481 4483 4484 CONECT 4483 4477 4482 4514 CONECT 4484 4482 CONECT 4485 4481 4486 CONECT 4486 4485 4487 CONECT 4487 4486 4488 4489 CONECT 4488 4487 CONECT 4489 4487 CONECT 4490 4477 4491 4515 CONECT 4491 4490 4492 4494 CONECT 4492 4491 4493 4495 CONECT 4493 4478 4492 4515 CONECT 4494 4491 CONECT 4495 4492 4496 CONECT 4496 4495 CONECT 4497 4478 4498 4516 CONECT 4498 4497 4499 4501 CONECT 4499 4498 4500 4502 CONECT 4500 4479 4499 4516 CONECT 4501 4498 CONECT 4502 4499 4503 CONECT 4503 4502 CONECT 4504 4479 4505 4517 CONECT 4505 4504 4506 4508 CONECT 4506 4505 4507 4509 CONECT 4507 4476 4506 4517 CONECT 4508 4505 CONECT 4509 4506 4510 CONECT 4510 4509 4511 CONECT 4511 4510 4512 4513 CONECT 4512 4511 CONECT 4513 4511 CONECT 4514 4480 4483 4518 CONECT 4515 4490 4493 4518 CONECT 4516 4497 4500 4518 CONECT 4517 4504 4507 4518 CONECT 4518 2844 4514 4515 4516 CONECT 4518 4517 CONECT 4520 4524 4551 CONECT 4521 4527 4534 CONECT 4522 4537 4541 CONECT 4523 4544 4548 CONECT 4524 4520 4525 4558 CONECT 4525 4524 4526 4529 CONECT 4526 4525 4527 4528 CONECT 4527 4521 4526 4558 CONECT 4528 4526 CONECT 4529 4525 4530 CONECT 4530 4529 4531 CONECT 4531 4530 4532 4533 CONECT 4532 4531 CONECT 4533 4531 CONECT 4534 4521 4535 4559 CONECT 4535 4534 4536 4538 CONECT 4536 4535 4537 4539 CONECT 4537 4522 4536 4559 CONECT 4538 4535 CONECT 4539 4536 4540 CONECT 4540 4539 CONECT 4541 4522 4542 4560 CONECT 4542 4541 4543 4545 CONECT 4543 4542 4544 4546 CONECT 4544 4523 4543 4560 CONECT 4545 4542 CONECT 4546 4543 4547 CONECT 4547 4546 CONECT 4548 4523 4549 4561 CONECT 4549 4548 4550 4552 CONECT 4550 4549 4551 4553 CONECT 4551 4520 4550 4561 CONECT 4552 4549 CONECT 4553 4550 4554 CONECT 4554 4553 4555 CONECT 4555 4554 4556 4557 CONECT 4556 4555 CONECT 4557 4555 CONECT 4558 4524 4527 4562 CONECT 4559 4534 4537 4562 CONECT 4560 4541 4544 4562 CONECT 4561 4548 4551 4562 CONECT 4562 3965 4558 4559 4560 CONECT 4562 4561 MASTER 780 1 6 32 0 0 16 9 4779 4 180 46 END
Video 4.

Tercijarna i kvaterna struktura proteina

Tercijarna i kvaterna struktura proteina
0

Prema prostornoj građi razlikujemo kuglaste (globularne) proteine poput mioglobina, hemoglobina, antitijela i brojnih enzima i vlaknaste (fibrilarne) proteine. Vlaknasti proteini su primjerice kolagen i keratin. Vlaknasti proteini nisu topljivi u vodi. Neki se kuglasti proteini poput albumina u vodi otapaju, dok se globulini samo dispergiraju.

Fibrilarni proteini

Keratin je fibrilarni protein kojeg nalazimo u koži i kožnim tvorevinama – dlakama, bodljama, kandžama i noktima, perju, ljuskama, rogovima, kopitima i papcima.

Fotografija prikazuje glavu nosoroga fotografiranu iz profila.

α-keratin koji gradi kosu sadrži dvije desne α-uzvojnice koje su međusobno opletene tako da zajedno čine lijevu super-zavojnicu koja se često naziva i “opletena uzvojnica”

Fotografija prikazuje lice djevojčice. Ima šiške i kosu vezanu u dva repa. Prstom na ustima daje znak za tišinu.

Kolagena čini trećinu mase svih proteina u čovjeku, najvažniji je sastojak vezivnog tkiva, a ima strukturu trostruke uzvojnice u kojoj su lanci povezani vodikovim vezama.

Fotografija prikazuje  3-d model kolagena.

Molekule aktina i miozina su fibrilarni proteini koji omogućuju mišićnu kontrakciju.

Fotografija iz ptičje perspektive prikazuje trkače na nekom natjecanju.Igleda kao trka na duže staze s većim brojem sudionika.
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Globularni proteini

Albumin je najzastupljeniji protein u krvnoj plazmi, a ima važnu ulogu u prijenosu tvari.

Fotografija prikazuje 3-d model proteina koji se zove albumin.Izgleda kao velika, nepravilna nakupina mnoštva atoma prikazanih kao kuglice.

Imunoglobuline ili antitijela proizvode plazma stanice, a imaju važnu ulogu u obrani organizma.

Fotografija prikazuje ilustraciju imunoglobulina. Izgledaju kao žute i ružičaste, zapetljane vrpce povezane tanjim, sivim koncem.

Mioglobin je mali transportni protein koji ima važnu ulogu u transportu kisika u srčano i poprečnoprugasto mišićno tkivo. Daje boju crvenom mesu i ubraja se u kromoproteine.

Fotografija prikazuje 3-d ilustraciju organa u prsnom košu čovjeka. Istaknuto je srce obojano crvenom bojom.

Hemoglobin je konjugirani globularni protein kvaterne strukture koji se nalazi u eritrocitima, a čija je zadaća prijenos kisika do perifernih tkiva.

Fotografija je podijeljena na dva dijela. Lijevi prikazuje crvena krvan zrnca, a desni šarene, zavijene vrpce koje predsstavljaju protein hemoglobin.
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Prostorna građa proteina važna je za njihova fizikalna svojstva i biološku aktivnost. Primarna, sekundarna, tercijarna i ponegdje kvaterna struktura omogućuju nastajanje oblika proteina koji najbolje odgovara biološkoj ulozi i naziva se nativnom (prirodnom) konformacijom.

Važno svojstvo proteina je denaturiranje. To je proces narušavanja nativne konformacije, ali se pri tom ne narušava primarna struktura proteina. Denaturiranje je najčešće nepovratno.

Kod pečenog jaja bijelanjak je nepovratno denaturiran.

Fotografija prikazuje prženo jaje ˝na oko˝.

Lupanje bjelanjka primjer je povratnog denaturiranja jer stajanjem ‘snijeg’’ se ponovno vraća u početno stanje.

Fotografija prikazuje lopatice kuhinjskog miksera uronjene u izrađeni bjelanjak.
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Proces ponovnog vraćanja proteina u nativnu konformaciju naziva se renaturiranje.

3. pokus

Fotografija prikazuje ukapavanje prozirne tekućine u epruvetu kapaljkom.

Denaturiranje proteina

Pročitaj

Promislite i odgovorite

Odredite je li tvrdnja točna ili netočna.

U peptidu Ala-Trp-Ala dvije su  N-terminalne aminokiseline. 

Odredite je li tvrdnja točna ili netočna.

Sav sumpor u ljudskom organizmu sadržan je u proteinima.

Odredite je li tvrdnja točna ili netočna.


Tripeptid Gly-Leu-Ala jednak je tripeptidu Ala-Leu-Gly.

Odredite je li tvrdnja točna ili netočna.

Disulfidni mostovi mogu nastati između dvaju metioninskih pobočnih lanaca. 

Odredite je li tvrdnja točna ili netočna.

Primarnu strukturu proteina određena je redoslijedom aminokiselina u lancu. 

Tercijarnu strukturu proteina ne određuju:

Koliko je tetrapeptida moguće sastaviti od četiri različite aminokiseline na način da su u tetrapeptidu uvijek zastupljene sve četiri aminokiseline?

Koliki se volumen natrijeve lužine, množinske koncentracije 1 x 10–3 mol/L troši za titraciju 10 mL vodene otopine alanina u izoelelktričnoj točki, ako je početna koncentracija alanina 5 x 10–4 mol/L?

Broj aminokiselina u lancu povežite sa odgovarajućim nazivom peptida.

do sto aminokiselina

dipeptid

više od sto aminokiselina

polipeptid

do deset aminokiselina

oligopeptid

dvije aminokiseline

protein

Penicilin je ciklički dipeptid, a od prirodnih penicilina važnu kliničku primjenu ima penicilin G. Proučite strukturnu formulu ovog spoja i odredite broj kiralnih centara.

Broj kiralnih centara je:

Fotografija prikazuje strukturnu i molekulsku formulu penecilina.
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Enzimi

Enzimi (grč. en-u + grč. zyme-kvasac) tvari koje se proizvode u živom organizmu, a sudjeluju u metabolizmu kao biokatalizatori, odnosno tvari koje ubrzavaju biokemijske procese djelujući na mehanizam kemijske reakcije. Ponovite kako enzimi djeluju na brzinu kemijske reakcije u animaciji na mrežnom mjestu 2.

Enzimi (grč. en-u + grč. zyme-kvasac) tvari koje se proizvode u živom organizmu.

Sudjeluju u metabolizmu kao biokatalizatori.

Odnosno tvari koje ubrzavaju biokemijske procese djelujući na mehanizam kemijske reakcije.

Ponovite kako enzimi djeluju na brzinu kemijske reakcije u animaciji na mrežnom mjestu 2.

Video 5.

Energijski profil katalizirane i nekatalizirane reakcije

Energijski profil katalizirane i nekatalizirane reakcije
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Tvari na koje enzim djeluje nazivaju se njegovim supstratima, pa se naziv enzima obično tvori dodatkom sufiksa -aza nazivu supstrata ili nazivu reakcije, npr. lipaza ili alkohol-dehidrogenaza, a za neke probavne enzime koriste se i specifična starija imena kao što su tripsin i pepsin.

Imena enzima

1. supstrat + AZA

Primjerice; 

protein + aza = proteaza

laktoza + aza = laktaza

urea + aza = ureaza

2. funkcija + AZA

Primjerice; 

hidroliza + aza = hidrolaza

redukcija + aza = reduktaza

1. tablica: Nazivi nekih enzima prema funkciji koju obavljaju

ime enzima

reakcije koje kataliziraju

oksidoreduktaze

redoks-reakcije

sintaze

sinteze

transferaze

prijenosi funkcijskih skupina

izomeraze

izomerizacije

liaze

reakcije eliminacije

katalaza

razgradnja vodikova peroksida

Istražite kako su enzimi podijeljeni prema Međunarodnoj klasifikaciji enzima.

Enzimi se razlikuju od običnih kemijskih katalizatora jer su enzimske reakcije brže od nekataliziranih od milijun do 1012 puta. Enzimske reakcije se događaju u fiziološkim uvjetima, dok kemijska kataliza često zahtijeva ekstremne uvjete temperature, tlaka i promjene pH-vrijednosti.

Na aktivnost enzima utječu temperatura, pH-vrijednost, koncentracija enzima i supstrata te drugi čimbenici.

Istražite kako su enzimi podijeljeni prema Međunarodnoj klasifikaciji enzima.

Enzimi se razlikuju od običnih kemijskih katalizatora.

Enzimske reakcije su brže od nekataliziranih od milijun do 1012 puta.

Enzimske reakcije se događaju u fiziološkim uvjetima.

Kemijska kataliza često zahtijeva ekstremne uvjete

temperature, tlaka i promjene pH-vrijednosti.

Na aktivnost enzima utječu temperaturapH-vrijednostkoncentracija enzima i supstrata te drugi čimbenici.

Problemski zadatak

Optimalna pH-vrijednost za svaki je enzim specifična. Istražite koje su optimalne pH-vrijednosti za probavne enzime. Obrazložite zašto su im te vrijednosti različite i povežite svoje argumente s mjestom proizvodnje i djelovanja pojedinog enzima.

Razvrstajte navedene probavne enzime na mjesto njihova djelovanja.

Plava pozadina
USTA
ŽELUDAC
TANKO CRIJEVO

Pri nižim temperaturama aktivnost enzima se smanjuje. Poznato je da se povećanjem temperature brzina kemijske reakcije povećava, ali kod viših temperatura enzimi se denaturiraju pa temperatura ne smije biti previsoka.

Utjecaj temperature i pH-vrijednosti na aktivnost enzima

Optimalna pH-vrijednost

Fotografija prikazuje  graf optimalne pH-vrijednosti.

optimalna vrijednost temperature

Fotografija prikazuje graf optimalne vrijednosti temperature pri aktivnosti enzima.
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Aktivnost enzima regulirana je tvarima koje nisu njihovi supstrati, pa to omogućuje skladno funkcioniranje svih procesa u živoj stanici i organizmu. Njihovu aktivnost koče specifični inhibitori, a pojačavaju je aktivatori. Inhibitori se na enzim mogu vezati reverzibilno, ali i ireverzibilno primjerice neki bojni otrovi. Do sada je opisana struktura nekoliko tisuća enzima i svi su oni globularni proteini složene trodimenzijske građe. Svaki enzim sadrži aktivno mjesto koje tvori nekoliko dijelova peptidnog lanca. Reaktivne skupine iz peptidnog lanca obuhvaćaju supstrat. Supstrat se na enzim može vezati vodikovim vezama, ionskim ili van der Waalsovim silama ovisno o prirodi enzima i supstrata. Vezivanjem enzima i supstrata nastaje kompleks. Enzim iz reakcije izlazi nepromijenjen dok nastali produkti imaju različitu građu od supstrata. Enzimi su kiralne molekule i djeluju na određeni enantiomer te pokazuju stereospecifično djelovanje.

Aktivnost enzima regulirana je tvarima koje nisu njihovi supstrati.

To omogućuje skladno funkcioniranje svih procesa u živoj stanici i organizmu.

Njihovu aktivnost koče specifični inhibitori, a pojačavaju je aktivatori.

Inhibitori se na enzim mogu vezati reverzibilno, ali i ireverzibilno primjerice neki bojni otrovi.

Do sada je opisana struktura nekoliko tisuća enzima.

Svi su oni globularni proteini složene trodimenzijske građe.

Svaki enzim sadrži aktivno mjesto koje tvori nekoliko dijelova peptidnog lanca.

Reaktivne skupine iz peptidnog lanca obuhvaćaju supstrat.

Supstrat se na enzim može vezati vodikovim vezama, ionskim ili van der Waalsovim silama.

To ovisi o prirodi enzima i supstrata.

Vezivanjem enzima i supstrata nastaje kompleks.

Enzim iz reakcije izlazi nepromijenjen dok nastali produkti imaju različitu građu od supstrata.

Enzimi su kiralne molekule.

Djeluju na određeni enantiomer te pokazuju stereospecifično djelovanje.

Shema djelovanja enzima

Fotografija prikazuje  infografiku koja kazuje iduće: enzim plus supstrat nastaje kompleks enzim-supstrat nastaje enzim plus produkt.

ili jednostavnije zapisano: E + S → ES → E + P

Video 6.

Djelovanje enzima cimaze u alkoholnom vrenju

Djelovanje enzima cimaze u alkoholnom vrenju
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Neki enzimi mogu djelovati samo u prisutnosti kofaktora. To mogu biti ioni metala ili pak neke organske molekule, zvane koenzimi. Neki se kofaktori samo privremeno vežu na enzim, dok se drugi, koji se nazivaju prostetičkim skupinama, vežu trajno. Ako enzim sadrži kofaktor, njegov polipeptidni dio naziva se apoenzimom. Prema tomu, neaktivni apoenzim i kofaktor čine potpuni, aktivni enzim zvani holoenzim.

Enzimi pokazuju visoku specifičnost prema svojim supstratima, a to omogućuje odvijanje bioloških procesa gotovo bez pogreške. Da bi djelovao, enzim mora doći u fizički dodir sa svojim supstratom pa se mehanizam njegova djelovanja opisuje modelom ključ-brava kod kojeg molekula supstrata pristaje u aktivno mjesto molekule enzima kao što ključ pristaje u bravu, tj. enzim i supstrat međusobno komplementarni. Neki enzimi kataliziraju reakcije sa više strukturno sličnih spojeva, a što je opisano modelom potaknutog pristajanja.

Neki enzimi mogu djelovati samo u prisutnosti kofaktora.

To mogu biti ioni metala ili pak neke organske molekule, zvane koenzimi.

Neki se kofaktori samo privremeno vežu na enzim.

Drugi se vežu trajno.

Nazivaju prostetičkim skupinama.

Ako enzim sadrži kofaktor, njegov polipeptidni dio naziva se apoenzimom.

Prema tomu, neaktivni apoenzim i kofaktor čine potpuni, aktivni enzim zvani holoenzim.

 

Enzimi pokazuju visoku specifičnost prema svojim supstratima.

To omogućuje odvijanje bioloških procesa gotovo bez pogreške.

Da bi djelovao, enzim mora doći u fizički dodir sa svojim supstratom.

Mehanizam njegova djelovanja opisuje se modelom ključ-brava.

Molekula supstrata pristaje u aktivno mjesto molekule enzima kao što ključ pristaje u bravu.

Enzim i supstrat međusobno komplementarni.

Neki enzimi kataliziraju reakcije sa više strukturno sličnih spojeva.

To je opisano modelom potaknutog pristajanja.

Problemski zadatak

Na stručnim mrežnim stranicama istražite kako je opisan mehanizam djelovanja enzima svoje rezultate predstavite uporabom nekog prezentacijskog alata, a za bolju ilustraciju procesa izradite i prigodne animacije.

Video 7.

Enzimi kao biološki katalizatori

Enzimi kao biološki katalizatori
0

Djelotvornost enzima mjeri se obrtnim brojem koji predstavlja broj molekula supstrata koji se u jednoj sekundi preradi u produkt na jednoj molekuli enzima. Za neke enzime obrtni broj može biti čak 300 000.

Pokus: razlaganje vodikova peroksida djelovanjem enzima katalaze vidite na mrežnom mjestu 3.

Većina enzima djeluje unutar stanice u kojoj se sintetizira, katalizirajući u njoj sve kataboličke i biosintetičke procese. Neki se enzimi izlučuju i djeluju ekstracelularno, kao probavni enzimi, koje izlučuje stijenka crijeva ili gušterača. Takvi se enzimi obično sintetiziraju u žlijezdama u obliku neaktivnih proenzima ili zimogena, a aktivni postaju u probavnom traktu. Tjelesne tekućine, kao što je krvna plazma, u pravilu sadrže vrlo male koncentracije enzima. Pri oštećenju pojedinih tkiva zbog bolesti, tkivni enzimi dospijevaju u krv, pa je mjerenje aktivnosti tih enzima u krvnoj plazmi važan sastavni dio laboratorijske dijagnostike.

Većina enzima djeluje unutar stanice u kojoj se sintetizira,

katalizirajući u njoj sve kataboličke i biosintetičke procese.

Neki se enzimi izlučuju i djeluju ekstracelularno.

Na primjer, probavni enzimi, koje izlučuje stijenka crijeva ili gušterača.

Takvi se enzimi obično sintetiziraju u žlijezdama u obliku neaktivnih proenzima ili zimogena.

Aktivni postaju u probavnom traktu.

Tjelesne tekućine, kao što je krvna plazma,

u pravilu sadrže vrlo male koncentracije enzima.

Pri oštećenju pojedinih tkiva zbog bolesti, tkivni enzimi dospijevaju u krv.

Mjerenje aktivnosti tih enzima u krvnoj plazmi je važan sastavni dio laboratorijske dijagnostike.

Djelovanje enzima laktaze – simulacija

Koncentracija laktoze u mg/dL

05001000

Temperatura u °C

20364260100

pH- vrijednost

03691214

Glukoza dobivena hidrolizom laktoze

koncentracija glukoze (mg/dL)

minute

Enzimi se mogu i industrijski proizvoditi. Neki se upotrebljavaju kao lijekovi, drugi ulaze u sastav deterdženata, mnogi su potrebni u medicinskoj dijagnostici. Enzimi se također upotrebljavaju u proizvodnji antibiotika te u prehrambenoj i kemijskoj industriji, jer svojom prirodnom selektivnošću usmjeravaju reakcije na željeni način. Danas se veliki broj enzima dobiva djelovanjem genetički modificiranih mikroorganizama.

Enzimi se mogu i industrijski proizvoditi.

Neki se upotrebljavaju kao lijekovi,

drugi ulaze u sastav deterdženata, mnogi su potrebni u medicinskoj dijagnostici.

Enzimi se također upotrebljavaju u proizvodnji antibiotika te u prehrambenoj i kemijskoj industriji.

Svojom prirodnom selektivnošću usmjeravaju reakcije na željeni način.

Danas se veliki broj enzima dobiva djelovanjem genetički modificiranih mikroorganizama.

Promislite i odgovorite

Odredite je li tvrdnja točna ili netočna.

Enzimi ubrzavaju biokemijske reakcije najmanje milijun puta.

Odredite je li tvrdnja točna ili netočna.

Biokatalizatori snižavaju energiju aktivacije.

Odredite je li tvrdnja točna ili netočna.

Enzimi su aktivni samo u nativnoj konformaciji.

Odredite je li tvrdnja točna ili netočna.

Supstrat se ireverzibilno veže za enzim. 

Odredite je li tvrdnja točna ili netočna.

Biokatalizator može promijeniti položaj ravnoteže kod reverzibilnog procesa. 

Odredite je li tvrdnja točna ili netočna.

Prostetička skupina je koenzim reverzibilno vezan slabim vezama.

Što od navedenog ne utječe na katalitičku aktivnost enzima.

Sparite enzima funkcijom koju obavlja.

ureaza  

hidroliza esterske veze

katalaza

hidroliza glikozidne veze

maltaza

razgradnja vodikova peroksida

esteraza

hidroliza uree

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