HEADER ANTIFUNGAL PROTEIN 04-NOV-00 1GH5 TITLE ANTIFUNGAL PROTEIN FROM STREPTOMYCES TENDAE TU901, NMR TITLE 2 AVERAGE STRUCTURE COMPND MOL_ID: 1; COMPND 2 MOLECULE: ANTIFUNGAL PROTEIN; COMPND 3 CHAIN: A; COMPND 4 FRAGMENT: AFP1; COMPND 5 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOMYCES TENDAE; SOURCE 3 ORGANISM_TAXID: 1932; SOURCE 4 STRAIN: TU901; SOURCE 5 GENE: AFP; SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21(DE3); SOURCE 7 EXPRESSION_SYSTEM_TAXID: 469008; SOURCE 8 EXPRESSION_SYSTEM_STRAIN: BL21(DE3); SOURCE 9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 10 EXPRESSION_SYSTEM_PLASMID: PET11A(NOVAGEN) KEYWDS ALL-BETA, TWO ANTIPARALLEL BETA-SHEETS, PARALLEL BETA- KEYWDS 2 SANDWICH, ANTIFUNGAL PROTEIN EXPDTA SOLUTION NMR AUTHOR R.CAMPOS-OLIVAS,C.BORMANN,I.HOERR,G.JUNG,A.M.GRONENBORN REVDAT 4 24-FEB-09 1GH5 1 VERSN REVDAT 3 01-APR-03 1GH5 1 JRNL REVDAT 2 23-MAY-01 1GH5 1 JRNL REVDAT 1 28-MAR-01 1GH5 0 JRNL AUTH R.CAMPOS-OLIVAS,I.HORR,C.BORMANN,G.JUNG, JRNL AUTH 2 A.M.GRONENBORN JRNL TITL SOLUTION STRUCTURE, BACKBONE DYNAMICS AND CHITIN JRNL TITL 2 BINDING OF THE ANTI-FUNGAL PROTEIN FROM JRNL TITL 3 STREPTOMYCES TENDAE TU901. JRNL REF J.MOL.BIOL. V. 308 765 2001 JRNL REFN ISSN 0022-2836 JRNL PMID 11350173 JRNL DOI 10.1006/JMBI.2001.4622 REMARK 1 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : DYANA 1.5 REMARK 3 AUTHORS : GUENTERT REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 1GH5 COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 13-NOV-00. REMARK 100 THE RCSB ID CODE IS RCSB001509. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 293; 277 REMARK 210 PH : 8.0; 8.0 REMARK 210 IONIC STRENGTH : 0.32 M; 0.32 M REMARK 210 PRESSURE : AMBIENT; AMBIENT REMARK 210 SAMPLE CONTENTS : 0.5-0.8 MM AFP1 [U-99% 15N; U REMARK 210 -10% 13C] 20 MM PHOSPHATE, PH REMARK 210 8.0. 0.1 M NACL. 0.02 MM EDTA. REMARK 210 0.01% NAN3.; 0.5-0.8 MM AFP1 REMARK 210 [U-99% 15N; U-10% 13C] 20 MM REMARK 210 PHOSPHATE, PH 8.0. 0.1 M NACL. REMARK 210 0.02 MM EDTA. 0.01% NAN3.; REMARK 210 0.5-0.8 MM AFP1 [U-99% 15N; U- REMARK 210 13C] 20 MM PHOSPHATE, PH 8.0. REMARK 210 0.1 M NACL. 0.02 MM EDTA. REMARK 210 0.01% NAN3.; 0.5-0.8 MM AFP1 REMARK 210 [U-99% 15N; U-13C] 20 MM REMARK 210 PHOSPHATE, PH 8.0. 0.1 M NACL. REMARK 210 0.02 MM EDTA. 0.01% NAN3. REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : 2D NOESY, 3D_15N-SEPARATED_ REMARK 210 NOESY, HNHA, HNHB, 4D_13C- REMARK 210 SEPARATED_NOESY, HN(CO)CG_ REMARK 210 AROM/HNCG_AROM REMARK 210 SPECTROMETER FIELD STRENGTH : 500 MHZ, 600 MHZ, 750 MHZ, REMARK 210 800 MHZ REMARK 210 SPECTROMETER MODEL : DMX, DRX REMARK 210 SPECTROMETER MANUFACTURER : BRUKER REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : NMRPIPE X.X, XWINNMR 4.1.1, REMARK 210 DYANA 1.5 REMARK 210 METHOD USED : TORSION ANGLE DYNAMICS WITH REMARK 210 DYANA. REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : NULL REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1 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 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 N GLY A 38 O ILE A 78 1.64 REMARK 500 OH TYR A 37 CD GLU A 80 1.80 REMARK 500 CZ TYR A 37 CD GLU A 80 1.82 REMARK 500 OH TYR A 37 OE2 GLU A 80 1.82 REMARK 500 CD2 TYR A 37 CB GLU A 80 1.89 REMARK 500 CE2 TYR A 37 CB GLU A 80 1.94 REMARK 500 CE1 TYR A 37 CG GLU A 80 1.95 REMARK 500 CZ TYR A 37 CG GLU A 80 1.98 REMARK 500 CB TYR A 37 O HIS A 79 2.00 REMARK 500 CA TRP A 41 O TRP A 73 2.08 REMARK 500 CA TYR A 37 O HIS A 79 2.08 REMARK 500 OH TYR A 37 OE1 GLU A 80 2.11 REMARK 500 CB ALA A 35 OE2 GLU A 80 2.12 REMARK 500 O VAL A 34 O LEU A 82 2.16 REMARK 500 O VAL A 34 O ILE A 81 2.19 REMARK 500 OE1 GLU A 14 OE2 GLU A 43 2.19 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: TORSION ANGLES REMARK 500 REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) REMARK 500 REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 REMARK 500 REMARK 500 M RES CSSEQI PSI PHI REMARK 500 ASP A 6 38.53 -91.63 REMARK 500 CYS A 7 93.81 54.99 REMARK 500 GLU A 9 -153.49 -133.32 REMARK 500 SER A 11 66.51 87.56 REMARK 500 ASN A 28 145.65 65.37 REMARK 500 SER A 44 82.68 -154.74 REMARK 500 ASN A 46 56.04 -67.58 REMARK 500 ARG A 55 -70.13 -50.28 REMARK 500 PRO A 60 46.12 -72.37 REMARK 500 PRO A 75 -87.37 -72.30 REMARK 500 HIS A 77 98.45 66.01 REMARK 500 HIS A 79 -78.42 -46.89 REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 4833 RELATED DB: BMRB REMARK 900 1H, 13C, AND 15N ASSIGNMENTS FOR THE ANTIFUNGAL PROTEIN REMARK 900 FROM STREPTOMYCES TENDAE TU901 REMARK 900 RELATED ID: 1G6E RELATED DB: PDB REMARK 900 30 CONFORMER ENSEMBLE DBREF 1GH5 A 2 87 UNP Q9RCK8 Q9RCK8_STRTE 43 128 SEQADV 1GH5 MET A 1 UNP Q9RCK8 INITIATING MET SEQRES 1 A 87 MET ILE ASN ARG THR ASP CYS ASN GLU ASN SER TYR LEU SEQRES 2 A 87 GLU ILE HIS ASN ASN GLU GLY ARG ASP THR LEU CYS PHE SEQRES 3 A 87 ALA ASN ALA GLY THR MET PRO VAL ALA ILE TYR GLY VAL SEQRES 4 A 87 ASN TRP VAL GLU SER GLY ASN ASN VAL VAL THR LEU GLN SEQRES 5 A 87 PHE GLN ARG ASN LEU SER ASP PRO ARG LEU GLU THR ILE SEQRES 6 A 87 THR LEU GLN LYS TRP GLY SER TRP ASN PRO GLY HIS ILE SEQRES 7 A 87 HIS GLU ILE LEU SER ILE ARG ILE TYR SHEET 1 A 5 ARG A 4 THR A 5 0 SHEET 2 A 5 ASP A 22 PHE A 26 -1 O CYS A 25 N THR A 5 SHEET 3 A 5 LEU A 13 ASN A 17 -1 O LEU A 13 N PHE A 26 SHEET 4 A 5 VAL A 39 SER A 44 -1 N ASN A 40 O HIS A 16 SHEET 5 A 5 GLY A 71 TRP A 73 -1 N GLY A 71 O SER A 44 SHEET 1 B 4 THR A 31 MET A 32 0 SHEET 2 B 4 GLU A 80 ILE A 86 -1 N ILE A 84 O MET A 32 SHEET 3 B 4 VAL A 49 GLN A 54 -1 O THR A 50 N ARG A 85 SHEET 4 B 4 LEU A 62 LEU A 67 -1 N GLU A 63 O PHE A 53 SSBOND 1 CYS A 7 CYS A 25 1555 1555 2.07 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 ATOM 1 N MET A 1 -4.577 12.194 9.058 1.00 0.00 N ATOM 2 CA MET A 1 -3.128 12.194 9.058 1.00 0.00 C ATOM 3 C MET A 1 -2.610 10.763 9.060 1.00 0.00 C ATOM 4 O MET A 1 -2.738 10.054 10.056 1.00 0.00 O ATOM 5 CB MET A 1 -2.621 12.952 10.281 1.00 0.00 C ATOM 6 CG MET A 1 -2.740 14.454 10.034 1.00 0.00 C ATOM 7 SD MET A 1 -3.352 15.387 11.459 1.00 0.00 S ATOM 8 CE MET A 1 -2.700 17.022 11.036 1.00 0.00 C ATOM 9 H MET A 1 -5.058 13.082 9.056 1.00 0.00 H ATOM 10 HA MET A 1 -2.774 12.697 8.159 1.00 0.00 H ATOM 11 HB2 MET A 1 -3.218 12.679 11.152 1.00 0.00 H ATOM 12 HB3 MET A 1 -1.577 12.696 10.461 1.00 0.00 H ATOM 13 HG2 MET A 1 -1.756 14.838 9.765 1.00 0.00 H ATOM 14 HG3 MET A 1 -3.419 14.614 9.197 1.00 0.00 H ATOM 15 HE1 MET A 1 -1.635 16.944 10.821 1.00 0.00 H ATOM 16 HE2 MET A 1 -3.221 17.404 10.158 1.00 0.00 H ATOM 17 HE3 MET A 1 -2.853 17.702 11.874 1.00 0.00 H ATOM 18 N ILE A 2 -2.023 10.339 7.938 1.00 0.00 N ATOM 19 CA ILE A 2 -1.487 8.998 7.813 1.00 0.00 C ATOM 20 C ILE A 2 -0.143 8.913 8.524 1.00 0.00 C ATOM 21 O ILE A 2 0.695 9.800 8.378 1.00 0.00 O ATOM 22 CB ILE A 2 -1.342 8.645 6.336 1.00 0.00 C ATOM 23 CG1 ILE A 2 -0.620 7.307 6.201 1.00 0.00 C ATOM 24 CG2 ILE A 2 -0.536 9.731 5.630 1.00 0.00 C ATOM 25 CD1 ILE A 2 -0.697 6.831 4.753 1.00 0.00 C ATOM 26 H ILE A 2 -1.944 10.962 7.147 1.00 0.00 H ATOM 27 HA ILE A 2 -2.178 8.295 8.279 1.00 0.00 H ATOM 28 HB ILE A 2 -2.330 8.572 5.881 1.00 0.00 H ATOM 29 HG12 ILE A 2 0.425 7.427 6.488 1.00 0.00 H ATOM 30 HG13 ILE A 2 -1.094 6.571 6.850 1.00 0.00 H ATOM 31 HG21 ILE A 2 -1.190 10.569 5.387 1.00 0.00 H ATOM 32 HG22 ILE A 2 0.264 10.074 6.285 1.00 0.00 H ATOM 33 HG23 ILE A 2 -0.107 9.328 4.713 1.00 0.00 H ATOM 34 HD11 ILE A 2 0.298 6.549 4.409 1.00 0.00 H ATOM 35 HD12 ILE A 2 -1.362 5.970 4.688 1.00 0.00 H ATOM 36 HD13 ILE A 2 -1.083 7.636 4.126 1.00 0.00 H ATOM 37 N ASN A 3 0.061 7.842 9.294 1.00 0.00 N ATOM 38 CA ASN A 3 1.300 7.649 10.020 1.00 0.00 C ATOM 39 C ASN A 3 1.710 6.184 9.966 1.00 0.00 C ATOM 40 O ASN A 3 0.858 5.298 9.965 1.00 0.00 O ATOM 41 CB ASN A 3 1.118 8.107 11.464 1.00 0.00 C ATOM 42 CG ASN A 3 1.740 9.478 11.682 1.00 0.00 C ATOM 43 OD1 ASN A 3 2.041 10.184 10.722 1.00 0.00 O ATOM 44 ND2 ASN A 3 1.930 9.856 12.948 1.00 0.00 N ATOM 45 H ASN A 3 -0.661 7.140 9.380 1.00 0.00 H ATOM 46 HA ASN A 3 2.080 8.250 9.554 1.00 0.00 H ATOM 47 HB2 ASN A 3 0.053 8.155 11.693 1.00 0.00 H ATOM 48 HB3 ASN A 3 1.595 7.388 12.130 1.00 0.00 H ATOM 49 HD21 ASN A 3 1.664 9.240 13.703 1.00 0.00 H ATOM 50 HD22 ASN A 3 2.339 10.757 13.149 1.00 0.00 H ATOM 51 N ARG A 4 3.020 5.931 9.923 1.00 0.00 N ATOM 52 CA ARG A 4 3.536 4.578 9.870 1.00 0.00 C ATOM 53 C ARG A 4 3.409 3.923 11.238 1.00 0.00 C ATOM 54 O ARG A 4 4.118 4.290 12.172 1.00 0.00 O ATOM 55 CB ARG A 4 4.994 4.609 9.419 1.00 0.00 C ATOM 56 CG ARG A 4 5.346 3.287 8.743 1.00 0.00 C ATOM 57 CD ARG A 4 6.862 3.118 8.713 1.00 0.00 C ATOM 58 NE ARG A 4 7.407 3.030 10.068 1.00 0.00 N ATOM 59 CZ ARG A 4 8.681 3.330 10.359 1.00 0.00 C ATOM 60 NH1 ARG A 4 9.513 3.731 9.388 1.00 0.00 N ATOM 61 NH2 ARG A 4 9.122 3.228 11.620 1.00 0.00 N ATOM 62 H ARG A 4 3.679 6.697 9.927 1.00 0.00 H ATOM 63 HA ARG A 4 2.955 4.005 9.147 1.00 0.00 H ATOM 64 HB2 ARG A 4 5.139 5.428 8.715 1.00 0.00 H ATOM 65 HB3 ARG A 4 5.639 4.757 10.286 1.00 0.00 H ATOM 66 HG2 ARG A 4 4.899 2.464 9.301 1.00 0.00 H ATOM 67 HG3 ARG A 4 4.960 3.286 7.724 1.00 0.00 H ATOM 68 HD2 ARG A 4 7.110 2.207 8.169 1.00 0.00 H ATOM 69 HD3 ARG A 4 7.307 3.972 8.203 1.00 0.00 H ATOM 70 HE ARG A 4 6.788 2.729 10.807 1.00 0.00 H ATOM 71 HH11 ARG A 4 9.180 3.808 8.438 1.00 0.00 H ATOM 72 HH12 ARG A 4 10.473 3.957 9.607 1.00 0.00 H ATOM 73 HH21 ARG A 4 8.495 2.926 12.352 1.00 0.00 H ATOM 74 HH22 ARG A 4 10.082 3.454 11.839 1.00 0.00 H ATOM 75 N THR A 5 2.502 2.950 11.354 1.00 0.00 N ATOM 76 CA THR A 5 2.291 2.252 12.606 1.00 0.00 C ATOM 77 C THR A 5 2.716 0.797 12.467 1.00 0.00 C ATOM 78 O THR A 5 2.643 0.227 11.381 1.00 0.00 O ATOM 79 CB THR A 5 0.820 2.350 13.001 1.00 0.00 C ATOM 80 OG1 THR A 5 0.617 1.684 14.227 1.00 0.00 O ATOM 81 CG2 THR A 5 -0.041 1.701 11.921 1.00 0.00 C ATOM 82 H THR A 5 1.943 2.685 10.555 1.00 0.00 H ATOM 83 HA THR A 5 2.897 2.724 13.380 1.00 0.00 H ATOM 84 HB THR A 5 0.542 3.399 13.106 1.00 0.00 H ATOM 85 HG1 THR A 5 0.529 2.342 14.920 1.00 0.00 H ATOM 86 HG21 THR A 5 0.433 0.779 11.584 1.00 0.00 H ATOM 87 HG22 THR A 5 -1.026 1.476 12.328 1.00 0.00 H ATOM 88 HG23 THR A 5 -0.144 2.386 11.078 1.00 0.00 H ATOM 89 N ASP A 6 3.161 0.197 13.573 1.00 0.00 N ATOM 90 CA ASP A 6 3.596 -1.186 13.569 1.00 0.00 C ATOM 91 C ASP A 6 2.425 -2.094 13.916 1.00 0.00 C ATOM 92 O ASP A 6 2.593 -3.081 14.629 1.00 0.00 O ATOM 93 CB ASP A 6 4.733 -1.363 14.571 1.00 0.00 C ATOM 94 CG ASP A 6 5.901 -2.110 13.941 1.00 0.00 C ATOM 95 OD1 ASP A 6 5.635 -3.166 13.329 1.00 0.00 O ATOM 96 OD2 ASP A 6 7.037 -1.610 14.084 1.00 0.00 O ATOM 97 H ASP A 6 3.202 0.710 14.442 1.00 0.00 H ATOM 98 HA ASP A 6 3.958 -1.441 12.574 1.00 0.00 H ATOM 99 HB2 ASP A 6 5.073 -0.383 14.904 1.00 0.00 H ATOM 100 HB3 ASP A 6 4.370 -1.927 15.430 1.00 0.00 H ATOM 101 N CYS A 7 1.236 -1.758 13.411 1.00 0.00 N ATOM 102 CA CYS A 7 0.045 -2.542 13.669 1.00 0.00 C ATOM 103 C CYS A 7 -0.157 -2.692 15.170 1.00 0.00 C ATOM 104 O CYS A 7 0.398 -3.599 15.785 1.00 0.00 O ATOM 105 CB CYS A 7 0.182 -3.908 13.002 1.00 0.00 C ATOM 106 SG CYS A 7 1.692 -4.100 12.022 1.00 0.00 S ATOM 107 H CYS A 7 1.152 -0.936 12.830 1.00 0.00 H ATOM 108 HA CYS A 7 -0.817 -2.027 13.245 1.00 0.00 H ATOM 109 HB2 CYS A 7 0.174 -4.674 13.778 1.00 0.00 H ATOM 110 HB3 CYS A 7 -0.677 -4.063 12.349 1.00 0.00 H ATOM 111 N ASN A 8 -0.955 -1.798 15.759 1.00 0.00 N ATOM 112 CA ASN A 8 -1.225 -1.838 17.182 1.00 0.00 C ATOM 113 C ASN A 8 -2.539 -2.560 17.442 1.00 0.00 C ATOM 114 O ASN A 8 -2.782 -3.034 18.549 1.00 0.00 O ATOM 115 CB ASN A 8 -1.274 -0.414 17.728 1.00 0.00 C ATOM 116 CG ASN A 8 -2.094 0.489 16.818 1.00 0.00 C ATOM 117 OD1 ASN A 8 -3.243 0.801 17.122 1.00 0.00 O ATOM 118 ND2 ASN A 8 -1.499 0.910 15.699 1.00 0.00 N ATOM 119 H ASN A 8 -1.388 -1.071 15.208 1.00 0.00 H ATOM 120 HA ASN A 8 -0.421 -2.380 17.680 1.00 0.00 H ATOM 121 HB2 ASN A 8 -1.724 -0.427 18.721 1.00 0.00 H ATOM 122 HB3 ASN A 8 -0.259 -0.022 17.800 1.00 0.00 H ATOM 123 HD21 ASN A 8 -0.552 0.627 15.495 1.00 0.00 H ATOM 124 HD22 ASN A 8 -1.998 1.513 15.060 1.00 0.00 H ATOM 125 N GLU A 9 -3.389 -2.644 16.415 1.00 0.00 N ATOM 126 CA GLU A 9 -4.671 -3.308 16.539 1.00 0.00 C ATOM 127 C GLU A 9 -4.889 -4.239 15.355 1.00 0.00 C ATOM 128 O GLU A 9 -3.931 -4.721 14.755 1.00 0.00 O ATOM 129 CB GLU A 9 -5.779 -2.262 16.616 1.00 0.00 C ATOM 130 CG GLU A 9 -6.765 -2.646 17.716 1.00 0.00 C ATOM 131 CD GLU A 9 -8.189 -2.282 17.321 1.00 0.00 C ATOM 132 OE1 GLU A 9 -8.553 -2.589 16.165 1.00 0.00 O ATOM 133 OE2 GLU A 9 -8.886 -1.703 18.181 1.00 0.00 O ATOM 134 H GLU A 9 -3.142 -2.237 15.524 1.00 0.00 H ATOM 135 HA GLU A 9 -4.676 -3.897 17.456 1.00 0.00 H ATOM 136 HB2 GLU A 9 -5.344 -1.288 16.842 1.00 0.00 H ATOM 137 HB3 GLU A 9 -6.301 -2.215 15.661 1.00 0.00 H ATOM 138 HG2 GLU A 9 -6.706 -3.720 17.891 1.00 0.00 H ATOM 139 HG3 GLU A 9 -6.502 -2.118 18.633 1.00 0.00 H ATOM 140 N ASN A 10 -6.157 -4.492 15.018 1.00 0.00 N ATOM 141 CA ASN A 10 -6.493 -5.361 13.909 1.00 0.00 C ATOM 142 C ASN A 10 -7.463 -4.655 12.972 1.00 0.00 C ATOM 143 O ASN A 10 -8.278 -3.847 13.412 1.00 0.00 O ATOM 144 CB ASN A 10 -7.102 -6.654 14.444 1.00 0.00 C ATOM 145 CG ASN A 10 -6.123 -7.811 14.311 1.00 0.00 C ATOM 146 OD1 ASN A 10 -4.959 -7.606 13.974 1.00 0.00 O ATOM 147 ND2 ASN A 10 -6.597 -9.030 14.578 1.00 0.00 N ATOM 148 H ASN A 10 -6.909 -4.070 15.544 1.00 0.00 H ATOM 149 HA ASN A 10 -5.583 -5.600 13.358 1.00 0.00 H ATOM 150 HB2 ASN A 10 -7.358 -6.520 15.495 1.00 0.00 H ATOM 151 HB3 ASN A 10 -8.006 -6.884 13.881 1.00 0.00 H ATOM 152 HD21 ASN A 10 -7.562 -9.147 14.853 1.00 0.00 H ATOM 153 HD22 ASN A 10 -5.990 -9.834 14.506 1.00 0.00 H ATOM 154 N SER A 11 -7.375 -4.964 11.677 1.00 0.00 N ATOM 155 CA SER A 11 -8.244 -4.360 10.687 1.00 0.00 C ATOM 156 C SER A 11 -7.635 -3.057 10.190 1.00 0.00 C ATOM 157 O SER A 11 -8.180 -1.982 10.432 1.00 0.00 O ATOM 158 CB SER A 11 -9.619 -4.115 11.301 1.00 0.00 C ATOM 159 OG SER A 11 -9.643 -2.842 11.907 1.00 0.00 O ATOM 160 H SER A 11 -6.687 -5.635 11.366 1.00 0.00 H ATOM 161 HA SER A 11 -8.350 -5.044 9.845 1.00 0.00 H ATOM 162 HB2 SER A 11 -10.379 -4.161 10.521 1.00 0.00 H ATOM 163 HB3 SER A 11 -9.823 -4.878 12.052 1.00 0.00 H ATOM 164 HG SER A 11 -8.744 -2.597 12.136 1.00 0.00 H ATOM 165 N TYR A 12 -6.501 -3.153 9.492 1.00 0.00 N ATOM 166 CA TYR A 12 -5.827 -1.984 8.967 1.00 0.00 C ATOM 167 C TYR A 12 -5.115 -2.337 7.669 1.00 0.00 C ATOM 168 O TYR A 12 -5.110 -3.495 7.257 1.00 0.00 O ATOM 169 CB TYR A 12 -4.835 -1.463 10.003 1.00 0.00 C ATOM 170 CG TYR A 12 -5.473 -0.613 11.075 1.00 0.00 C ATOM 171 CD1 TYR A 12 -6.247 0.498 10.719 1.00 0.00 C ATOM 172 CD2 TYR A 12 -5.292 -0.936 12.425 1.00 0.00 C ATOM 173 CE1 TYR A 12 -6.840 1.286 11.714 1.00 0.00 C ATOM 174 CE2 TYR A 12 -5.884 -0.148 13.420 1.00 0.00 C ATOM 175 CZ TYR A 12 -6.658 0.962 13.064 1.00 0.00 C ATOM 176 OH TYR A 12 -7.236 1.730 14.032 1.00 0.00 O ATOM 177 H TYR A 12 -6.093 -4.061 9.320 1.00 0.00 H ATOM 178 HA TYR A 12 -6.566 -1.209 8.765 1.00 0.00 H ATOM 179 HB2 TYR A 12 -4.348 -2.315 10.478 1.00 0.00 H ATOM 180 HB3 TYR A 12 -4.078 -0.867 9.492 1.00 0.00 H ATOM 181 HD1 TYR A 12 -6.387 0.748 9.678 1.00 0.00 H ATOM 182 HD2 TYR A 12 -4.694 -1.793 12.700 1.00 0.00 H ATOM 183 HE1 TYR A 12 -7.437 2.143 11.439 1.00 0.00 H ATOM 184 HE2 TYR A 12 -5.744 -0.398 14.461 1.00 0.00 H ATOM 185 HH TYR A 12 -6.598 2.237 14.540 1.00 0.00 H ATOM 186 N LEU A 13 -4.513 -1.335 7.024 1.00 0.00 N ATOM 187 CA LEU A 13 -3.802 -1.544 5.778 1.00 0.00 C ATOM 188 C LEU A 13 -2.333 -1.824 6.062 1.00 0.00 C ATOM 189 O LEU A 13 -1.683 -1.069 6.781 1.00 0.00 O ATOM 190 CB LEU A 13 -3.956 -0.311 4.892 1.00 0.00 C ATOM 191 CG LEU A 13 -2.813 -0.265 3.883 1.00 0.00 C ATOM 192 CD1 LEU A 13 -3.188 -1.084 2.651 1.00 0.00 C ATOM 193 CD2 LEU A 13 -2.555 1.182 3.473 1.00 0.00 C ATOM 194 H LEU A 13 -4.547 -0.401 7.406 1.00 0.00 H ATOM 195 HA LEU A 13 -4.233 -2.404 5.265 1.00 0.00 H ATOM 196 HB2 LEU A 13 -4.907 -0.361 4.363 1.00 0.00 H ATOM 197 HB3 LEU A 13 -3.931 0.586 5.511 1.00 0.00 H ATOM 198 HG LEU A 13 -1.912 -0.681 4.334 1.00 0.00 H ATOM 199 HD11 LEU A 13 -2.636 -0.715 1.787 1.00 0.00 H ATOM 200 HD12 LEU A 13 -2.938 -2.131 2.821 1.00 0.00 H ATOM 201 HD13 LEU A 13 -4.258 -0.992 2.465 1.00 0.00 H ATOM 202 HD21 LEU A 13 -2.324 1.222 2.408 1.00 0.00 H ATOM 203 HD22 LEU A 13 -3.443 1.781 3.675 1.00 0.00 H ATOM 204 HD23 LEU A 13 -1.713 1.576 4.042 1.00 0.00 H ATOM 205 N GLU A 14 -1.811 -2.914 5.495 1.00 0.00 N ATOM 206 CA GLU A 14 -0.423 -3.284 5.690 1.00 0.00 C ATOM 207 C GLU A 14 0.230 -3.579 4.347 1.00 0.00 C ATOM 208 O GLU A 14 -0.415 -4.103 3.442 1.00 0.00 O ATOM 209 CB GLU A 14 -0.347 -4.502 6.607 1.00 0.00 C ATOM 210 CG GLU A 14 -1.294 -4.309 7.788 1.00 0.00 C ATOM 211 CD GLU A 14 -1.938 -5.628 8.189 1.00 0.00 C ATOM 212 OE1 GLU A 14 -1.311 -6.342 9.002 1.00 0.00 O ATOM 213 OE2 GLU A 14 -3.045 -5.899 7.676 1.00 0.00 O ATOM 214 H GLU A 14 -2.388 -3.503 4.912 1.00 0.00 H ATOM 215 HA GLU A 14 0.101 -2.453 6.163 1.00 0.00 H ATOM 216 HB2 GLU A 14 -0.637 -5.394 6.051 1.00 0.00 H ATOM 217 HB3 GLU A 14 0.673 -4.617 6.974 1.00 0.00 H ATOM 218 HG2 GLU A 14 -0.733 -3.912 8.635 1.00 0.00 H ATOM 219 HG3 GLU A 14 -2.073 -3.600 7.511 1.00 0.00 H ATOM 220 N ILE A 15 1.515 -3.240 4.221 1.00 0.00 N ATOM 221 CA ILE A 15 2.251 -3.470 2.994 1.00 0.00 C ATOM 222 C ILE A 15 3.620 -4.051 3.316 1.00 0.00 C ATOM 223 O ILE A 15 4.420 -3.416 4.000 1.00 0.00 O ATOM 224 CB ILE A 15 2.386 -2.157 2.228 1.00 0.00 C ATOM 225 CG1 ILE A 15 1.000 -1.642 1.851 1.00 0.00 C ATOM 226 CG2 ILE A 15 3.205 -2.388 0.962 1.00 0.00 C ATOM 227 CD1 ILE A 15 1.075 -0.147 1.557 1.00 0.00 C ATOM 228 H ILE A 15 1.999 -2.811 4.997 1.00 0.00 H ATOM 229 HA ILE A 15 1.701 -4.182 2.379 1.00 0.00 H ATOM 230 HB ILE A 15 2.888 -1.421 2.856 1.00 0.00 H ATOM 231 HG12 ILE A 15 0.645 -2.169 0.965 1.00 0.00 H ATOM 232 HG13 ILE A 15 0.310 -1.816 2.677 1.00 0.00 H ATOM 233 HG21 ILE A 15 2.588 -2.892 0.217 1.00 0.00 H ATOM 234 HG22 ILE A 15 3.541 -1.430 0.566 1.00 0.00 H ATOM 235 HG23 ILE A 15 4.070 -3.008 1.197 1.00 0.00 H ATOM 236 HD11 ILE A 15 0.268 0.131 0.879 1.00 0.00 H ATOM 237 HD12 ILE A 15 0.975 0.412 2.488 1.00 0.00 H ATOM 238 HD13 ILE A 15 2.034 0.085 1.094 1.00 0.00 H ATOM 239 N HIS A 16 3.890 -5.261 2.821 1.00 0.00 N ATOM 240 CA HIS A 16 5.158 -5.921 3.058 1.00 0.00 C ATOM 241 C HIS A 16 5.851 -6.199 1.732 1.00 0.00 C ATOM 242 O HIS A 16 5.478 -7.127 1.018 1.00 0.00 O ATOM 243 CB HIS A 16 4.919 -7.218 3.825 1.00 0.00 C ATOM 244 CG HIS A 16 4.104 -8.213 3.046 1.00 0.00 C ATOM 245 ND1 HIS A 16 4.602 -9.281 2.325 1.00 0.00 N ATOM 246 CD2 HIS A 16 2.741 -8.214 2.928 1.00 0.00 C ATOM 247 CE1 HIS A 16 3.554 -9.924 1.777 1.00 0.00 C ATOM 248 NE2 HIS A 16 2.417 -9.293 2.129 1.00 0.00 N ATOM 249 H HIS A 16 3.196 -5.740 2.264 1.00 0.00 H ATOM 250 HA HIS A 16 5.791 -5.267 3.658 1.00 0.00 H ATOM 251 HB2 HIS A 16 5.883 -7.667 4.066 1.00 0.00 H ATOM 252 HB3 HIS A 16 4.397 -6.987 4.753 1.00 0.00 H ATOM 253 HD1 HIS A 16 5.575 -9.534 2.228 1.00 0.00 H ATOM 254 HD2 HIS A 16 2.054 -7.510 3.373 1.00 0.00 H ATOM 255 HE1 HIS A 16 3.616 -10.803 1.153 1.00 0.00 H ATOM 256 HE2 HIS A 16 1.483 -9.565 1.855 1.00 0.00 H ATOM 257 N ASN A 17 6.862 -5.392 1.403 1.00 0.00 N ATOM 258 CA ASN A 17 7.599 -5.558 0.166 1.00 0.00 C ATOM 259 C ASN A 17 8.920 -6.262 0.440 1.00 0.00 C ATOM 260 O ASN A 17 9.164 -6.719 1.555 1.00 0.00 O ATOM 261 CB ASN A 17 7.838 -4.191 -0.469 1.00 0.00 C ATOM 262 CG ASN A 17 8.485 -3.236 0.524 1.00 0.00 C ATOM 263 OD1 ASN A 17 8.614 -3.557 1.703 1.00 0.00 O ATOM 264 ND2 ASN A 17 8.894 -2.059 0.044 1.00 0.00 N ATOM 265 H ASN A 17 7.129 -4.643 2.025 1.00 0.00 H ATOM 266 HA ASN A 17 7.010 -6.167 -0.518 1.00 0.00 H ATOM 267 HB2 ASN A 17 8.491 -4.307 -1.333 1.00 0.00 H ATOM 268 HB3 ASN A 17 6.884 -3.775 -0.794 1.00 0.00 H ATOM 269 HD21 ASN A 17 8.767 -1.842 -0.935 1.00 0.00 H ATOM 270 HD22 ASN A 17 9.332 -1.389 0.659 1.00 0.00 H ATOM 271 N ASN A 18 9.775 -6.349 -0.582 1.00 0.00 N ATOM 272 CA ASN A 18 11.065 -6.996 -0.445 1.00 0.00 C ATOM 273 C ASN A 18 10.875 -8.456 -0.058 1.00 0.00 C ATOM 274 O ASN A 18 11.670 -9.009 0.698 1.00 0.00 O ATOM 275 CB ASN A 18 11.891 -6.261 0.607 1.00 0.00 C ATOM 276 CG ASN A 18 12.549 -5.024 0.014 1.00 0.00 C ATOM 277 OD1 ASN A 18 13.156 -5.093 -1.052 1.00 0.00 O ATOM 278 ND2 ASN A 18 12.427 -3.890 0.708 1.00 0.00 N ATOM 279 H ASN A 18 9.527 -5.957 -1.479 1.00 0.00 H ATOM 280 HA ASN A 18 11.587 -6.949 -1.400 1.00 0.00 H ATOM 281 HB2 ASN A 18 11.240 -5.963 1.429 1.00 0.00 H ATOM 282 HB3 ASN A 18 12.663 -6.930 0.987 1.00 0.00 H ATOM 283 HD21 ASN A 18 11.916 -3.885 1.579 1.00 0.00 H ATOM 284 HD22 ASN A 18 12.844 -3.039 0.359 1.00 0.00 H ATOM 285 N GLU A 19 9.817 -9.081 -0.581 1.00 0.00 N ATOM 286 CA GLU A 19 9.532 -10.471 -0.289 1.00 0.00 C ATOM 287 C GLU A 19 9.177 -10.630 1.183 1.00 0.00 C ATOM 288 O GLU A 19 9.457 -11.665 1.783 1.00 0.00 O ATOM 289 CB GLU A 19 10.745 -11.324 -0.648 1.00 0.00 C ATOM 290 CG GLU A 19 10.933 -11.329 -2.162 1.00 0.00 C ATOM 291 CD GLU A 19 12.138 -12.171 -2.557 1.00 0.00 C ATOM 292 OE1 GLU A 19 11.967 -13.408 -2.627 1.00 0.00 O ATOM 293 OE2 GLU A 19 13.207 -11.563 -2.781 1.00 0.00 O ATOM 294 H GLU A 19 9.193 -8.581 -1.198 1.00 0.00 H ATOM 295 HA GLU A 19 8.683 -10.792 -0.893 1.00 0.00 H ATOM 296 HB2 GLU A 19 11.634 -10.909 -0.172 1.00 0.00 H ATOM 297 HB3 GLU A 19 10.589 -12.344 -0.297 1.00 0.00 H ATOM 298 HG2 GLU A 19 10.040 -11.740 -2.632 1.00 0.00 H ATOM 299 HG3 GLU A 19 11.083 -10.306 -2.508 1.00 0.00 H ATOM 300 N GLY A 20 8.557 -9.600 1.765 1.00 0.00 N ATOM 301 CA GLY A 20 8.170 -9.636 3.161 1.00 0.00 C ATOM 302 C GLY A 20 9.363 -9.309 4.048 1.00 0.00 C ATOM 303 O GLY A 20 9.591 -9.975 5.055 1.00 0.00 O ATOM 304 H GLY A 20 8.349 -8.771 1.228 1.00 0.00 H ATOM 305 HA2 GLY A 20 7.380 -8.904 3.334 1.00 0.00 H ATOM 306 HA3 GLY A 20 7.799 -10.631 3.407 1.00 0.00 H ATOM 307 N ARG A 21 10.124 -8.279 3.670 1.00 0.00 N ATOM 308 CA ARG A 21 11.288 -7.870 4.430 1.00 0.00 C ATOM 309 C ARG A 21 10.925 -6.710 5.346 1.00 0.00 C ATOM 310 O ARG A 21 11.277 -6.713 6.523 1.00 0.00 O ATOM 311 CB ARG A 21 12.406 -7.472 3.470 1.00 0.00 C ATOM 312 CG ARG A 21 13.751 -7.581 4.183 1.00 0.00 C ATOM 313 CD ARG A 21 14.167 -6.205 4.697 1.00 0.00 C ATOM 314 NE ARG A 21 15.613 -6.139 4.911 1.00 0.00 N ATOM 315 CZ ARG A 21 16.183 -5.265 5.750 1.00 0.00 C ATOM 316 NH1 ARG A 21 15.423 -4.402 6.438 1.00 0.00 N ATOM 317 NH2 ARG A 21 17.515 -5.252 5.903 1.00 0.00 N ATOM 318 H ARG A 21 9.892 -7.764 2.833 1.00 0.00 H ATOM 319 HA ARG A 21 11.627 -8.709 5.039 1.00 0.00 H ATOM 320 HB2 ARG A 21 12.398 -8.137 2.607 1.00 0.00 H ATOM 321 HB3 ARG A 21 12.252 -6.445 3.140 1.00 0.00 H ATOM 322 HG2 ARG A 21 13.663 -8.270 5.023 1.00 0.00 H ATOM 323 HG3 ARG A 21 14.503 -7.951 3.486 1.00 0.00 H ATOM 324 HD2 ARG A 21 13.879 -5.448 3.967 1.00 0.00 H ATOM 325 HD3 ARG A 21 13.657 -6.006 5.640 1.00 0.00 H ATOM 326 HE ARG A 21 16.195 -6.786 4.398 1.00 0.00 H ATOM 327 HH11 ARG A 21 14.419 -4.411 6.324 1.00 0.00 H ATOM 328 HH12 ARG A 21 15.853 -3.742 7.071 1.00 0.00 H ATOM 329 HH21 ARG A 21 18.088 -5.902 5.384 1.00 0.00 H ATOM 330 HH22 ARG A 21 17.944 -4.593 6.535 1.00 0.00 H ATOM 331 N ASP A 22 10.219 -5.717 4.802 1.00 0.00 N ATOM 332 CA ASP A 22 9.813 -4.557 5.571 1.00 0.00 C ATOM 333 C ASP A 22 8.314 -4.339 5.421 1.00 0.00 C ATOM 334 O ASP A 22 7.828 -4.089 4.320 1.00 0.00 O ATOM 335 CB ASP A 22 10.588 -3.333 5.091 1.00 0.00 C ATOM 336 CG ASP A 22 12.065 -3.456 5.437 1.00 0.00 C ATOM 337 OD1 ASP A 22 12.357 -4.118 6.456 1.00 0.00 O ATOM 338 OD2 ASP A 22 12.876 -2.885 4.676 1.00 0.00 O ATOM 339 H ASP A 22 9.954 -5.763 3.828 1.00 0.00 H ATOM 340 HA ASP A 22 10.042 -4.731 6.622 1.00 0.00 H ATOM 341 HB2 ASP A 22 10.480 -3.242 4.010 1.00 0.00 H ATOM 342 HB3 ASP A 22 10.182 -2.442 5.569 1.00 0.00 H ATOM 343 N THR A 23 7.580 -4.435 6.532 1.00 0.00 N ATOM 344 CA THR A 23 6.144 -4.246 6.514 1.00 0.00 C ATOM 345 C THR A 23 5.796 -2.859 7.035 1.00 0.00 C ATOM 346 O THR A 23 6.498 -2.318 7.886 1.00 0.00 O ATOM 347 CB THR A 23 5.480 -5.325 7.365 1.00 0.00 C ATOM 348 OG1 THR A 23 5.782 -6.595 6.833 1.00 0.00 O ATOM 349 CG2 THR A 23 3.968 -5.118 7.360 1.00 0.00 C ATOM 350 H THR A 23 8.027 -4.643 7.414 1.00 0.00 H ATOM 351 HA THR A 23 5.788 -4.338 5.488 1.00 0.00 H ATOM 352 HB THR A 23 5.852 -5.261 8.388 1.00 0.00 H ATOM 353 HG1 THR A 23 6.643 -6.865 7.160 1.00 0.00 H ATOM 354 HG21 THR A 23 3.577 -5.316 6.362 1.00 0.00 H ATOM 355 HG22 THR A 23 3.505 -5.801 8.073 1.00 0.00 H ATOM 356 HG23 THR A 23 3.741 -4.090 7.642 1.00 0.00 H ATOM 357 N LEU A 24 4.707 -2.283 6.520 1.00 0.00 N ATOM 358 CA LEU A 24 4.271 -0.965 6.933 1.00 0.00 C ATOM 359 C LEU A 24 2.772 -0.976 7.199 1.00 0.00 C ATOM 360 O LEU A 24 1.979 -1.194 6.286 1.00 0.00 O ATOM 361 CB LEU A 24 4.619 0.049 5.848 1.00 0.00 C ATOM 362 CG LEU A 24 5.973 -0.303 5.239 1.00 0.00 C ATOM 363 CD1 LEU A 24 5.801 -0.598 3.751 1.00 0.00 C ATOM 364 CD2 LEU A 24 6.932 0.871 5.417 1.00 0.00 C ATOM 365 H LEU A 24 4.164 -2.771 5.822 1.00 0.00 H ATOM 366 HA LEU A 24 4.790 -0.692 7.852 1.00 0.00 H ATOM 367 HB2 LEU A 24 3.854 0.028 5.071 1.00 0.00 H ATOM 368 HB3 LEU A 24 4.665 1.047 6.284 1.00 0.00 H ATOM 369 HG LEU A 24 6.378 -1.182 5.739 1.00 0.00 H ATOM 370 HD11 LEU A 24 4.742 -0.561 3.494 1.00 0.00 H ATOM 371 HD12 LEU A 24 6.342 0.148 3.168 1.00 0.00 H ATOM 372 HD13 LEU A 24 6.195 -1.589 3.529 1.00 0.00 H ATOM 373 HD21 LEU A 24 7.497 1.022 4.498 1.00 0.00 H ATOM 374 HD22 LEU A 24 6.364 1.772 5.647 1.00 0.00 H ATOM 375 HD23 LEU A 24 7.620 0.656 6.235 1.00 0.00 H ATOM 376 N CYS A 25 2.385 -0.741 8.455 1.00 0.00 N ATOM 377 CA CYS A 25 0.987 -0.725 8.836 1.00 0.00 C ATOM 378 C CYS A 25 0.501 0.712 8.949 1.00 0.00 C ATOM 379 O CYS A 25 1.025 1.485 9.748 1.00 0.00 O ATOM 380 CB CYS A 25 0.813 -1.461 10.161 1.00 0.00 C ATOM 381 SG CYS A 25 1.697 -3.038 10.248 1.00 0.00 S ATOM 382 H CYS A 25 3.079 -0.569 9.169 1.00 0.00 H ATOM 383 HA CYS A 25 0.406 -1.236 8.068 1.00 0.00 H ATOM 384 HB2 CYS A 25 1.172 -0.818 10.964 1.00 0.00 H ATOM 385 HB3 CYS A 25 -0.249 -1.651 10.315 1.00 0.00 H ATOM 386 N PHE A 26 -0.504 1.070 8.146 1.00 0.00 N ATOM 387 CA PHE A 26 -1.052 2.412 8.162 1.00 0.00 C ATOM 388 C PHE A 26 -2.439 2.395 8.790 1.00 0.00 C ATOM 389 O PHE A 26 -3.122 1.373 8.764 1.00 0.00 O ATOM 390 CB PHE A 26 -1.110 2.953 6.737 1.00 0.00 C ATOM 391 CG PHE A 26 0.251 3.145 6.109 1.00 0.00 C ATOM 392 CD1 PHE A 26 1.010 4.280 6.417 1.00 0.00 C ATOM 393 CD2 PHE A 26 0.754 2.186 5.222 1.00 0.00 C ATOM 394 CE1 PHE A 26 2.272 4.457 5.837 1.00 0.00 C ATOM 395 CE2 PHE A 26 2.015 2.363 4.642 1.00 0.00 C ATOM 396 CZ PHE A 26 2.774 3.498 4.950 1.00 0.00 C ATOM 397 H PHE A 26 -0.900 0.397 7.506 1.00 0.00 H ATOM 398 HA PHE A 26 -0.402 3.053 8.758 1.00 0.00 H ATOM 399 HB2 PHE A 26 -1.680 2.257 6.122 1.00 0.00 H ATOM 400 HB3 PHE A 26 -1.626 3.913 6.749 1.00 0.00 H ATOM 401 HD1 PHE A 26 0.622 5.020 7.103 1.00 0.00 H ATOM 402 HD2 PHE A 26 0.168 1.310 4.985 1.00 0.00 H ATOM 403 HE1 PHE A 26 2.858 5.333 6.075 1.00 0.00 H ATOM 404 HE2 PHE A 26 2.403 1.623 3.957 1.00 0.00 H ATOM 405 HZ PHE A 26 3.748 3.634 4.502 1.00 0.00 H ATOM 406 N ALA A 27 -2.854 3.531 9.354 1.00 0.00 N ATOM 407 CA ALA A 27 -4.153 3.641 9.985 1.00 0.00 C ATOM 408 C ALA A 27 -4.760 5.004 9.681 1.00 0.00 C ATOM 409 O ALA A 27 -4.115 5.850 9.067 1.00 0.00 O ATOM 410 CB ALA A 27 -4.006 3.439 11.491 1.00 0.00 C ATOM 411 H ALA A 27 -2.253 4.343 9.348 1.00 0.00 H ATOM 412 HA ALA A 27 -4.807 2.866 9.586 1.00 0.00 H ATOM 413 HB1 ALA A 27 -4.877 2.905 11.872 1.00 0.00 H ATOM 414 HB2 ALA A 27 -3.106 2.857 11.693 1.00 0.00 H ATOM 415 HB3 ALA A 27 -3.929 4.409 11.982 1.00 0.00 H ATOM 416 N ASN A 28 -6.006 5.214 10.113 1.00 0.00 N ATOM 417 CA ASN A 28 -6.690 6.471 9.884 1.00 0.00 C ATOM 418 C ASN A 28 -6.922 6.672 8.393 1.00 0.00 C ATOM 419 O ASN A 28 -6.098 6.269 7.575 1.00 0.00 O ATOM 420 CB ASN A 28 -5.859 7.613 10.461 1.00 0.00 C ATOM 421 CG ASN A 28 -6.072 7.736 11.963 1.00 0.00 C ATOM 422 OD1 ASN A 28 -6.607 6.826 12.592 1.00 0.00 O ATOM 423 ND2 ASN A 28 -5.651 8.865 12.537 1.00 0.00 N ATOM 424 H ASN A 28 -6.494 4.486 10.614 1.00 0.00 H ATOM 425 HA ASN A 28 -7.655 6.446 10.391 1.00 0.00 H ATOM 426 HB2 ASN A 28 -4.804 7.423 10.263 1.00 0.00 H ATOM 427 HB3 ASN A 28 -6.151 8.547 9.981 1.00 0.00 H ATOM 428 HD21 ASN A 28 -5.216 9.584 11.977 1.00 0.00 H ATOM 429 HD22 ASN A 28 -5.768 8.999 13.532 1.00 0.00 H ATOM 430 N ALA A 29 -8.047 7.299 8.042 1.00 0.00 N ATOM 431 CA ALA A 29 -8.381 7.550 6.655 1.00 0.00 C ATOM 432 C ALA A 29 -7.345 8.477 6.035 1.00 0.00 C ATOM 433 O ALA A 29 -7.350 8.695 4.825 1.00 0.00 O ATOM 434 CB ALA A 29 -9.775 8.164 6.572 1.00 0.00 C ATOM 435 H ALA A 29 -8.690 7.611 8.755 1.00 0.00 H ATOM 436 HA ALA A 29 -8.378 6.604 6.114 1.00 0.00 H ATOM 437 HB1 ALA A 29 -10.096 8.198 5.531 1.00 0.00 H ATOM 438 HB2 ALA A 29 -10.474 7.558 7.149 1.00 0.00 H ATOM 439 HB3 ALA A 29 -9.752 9.176 6.977 1.00 0.00 H ATOM 440 N GLY A 30 -6.455 9.024 6.866 1.00 0.00 N ATOM 441 CA GLY A 30 -5.423 9.923 6.391 1.00 0.00 C ATOM 442 C GLY A 30 -4.894 9.453 5.043 1.00 0.00 C ATOM 443 O GLY A 30 -4.982 8.272 4.716 1.00 0.00 O ATOM 444 H GLY A 30 -6.494 8.814 7.853 1.00 0.00 H ATOM 445 HA2 GLY A 30 -5.837 10.925 6.286 1.00 0.00 H ATOM 446 HA3 GLY A 30 -4.604 9.944 7.111 1.00 0.00 H ATOM 447 N THR A 31 -4.345 10.383 4.258 1.00 0.00 N ATOM 448 CA THR A 31 -3.807 10.057 2.953 1.00 0.00 C ATOM 449 C THR A 31 -2.515 10.826 2.718 1.00 0.00 C ATOM 450 O THR A 31 -2.514 12.055 2.705 1.00 0.00 O ATOM 451 CB THR A 31 -4.839 10.393 1.880 1.00 0.00 C ATOM 452 OG1 THR A 31 -5.922 9.495 1.973 1.00 0.00 O ATOM 453 CG2 THR A 31 -4.196 10.275 0.501 1.00 0.00 C ATOM 454 H THR A 31 -4.296 11.342 4.573 1.00 0.00 H ATOM 455 HA THR A 31 -3.593 8.989 2.916 1.00 0.00 H ATOM 456 HB THR A 31 -5.198 11.412 2.028 1.00 0.00 H ATOM 457 HG1 THR A 31 -6.703 9.987 2.236 1.00 0.00 H ATOM 458 HG21 THR A 31 -4.958 10.011 -0.233 1.00 0.00 H ATOM 459 HG22 THR A 31 -3.744 11.228 0.228 1.00 0.00 H ATOM 460 HG23 THR A 31 -3.429 9.502 0.523 1.00 0.00 H ATOM 461 N MET A 32 -1.411 10.099 2.530 1.00 0.00 N ATOM 462 CA MET A 32 -0.121 10.716 2.298 1.00 0.00 C ATOM 463 C MET A 32 0.665 9.906 1.277 1.00 0.00 C ATOM 464 O MET A 32 0.413 8.717 1.097 1.00 0.00 O ATOM 465 CB MET A 32 0.642 10.808 3.617 1.00 0.00 C ATOM 466 CG MET A 32 1.216 9.439 3.969 1.00 0.00 C ATOM 467 SD MET A 32 2.081 9.392 5.558 1.00 0.00 S ATOM 468 CE MET A 32 2.470 7.625 5.624 1.00 0.00 C ATOM 469 H MET A 32 -1.465 9.090 2.550 1.00 0.00 H ATOM 470 HA MET A 32 -0.275 11.722 1.908 1.00 0.00 H ATOM 471 HB2 MET A 32 1.455 11.528 3.517 1.00 0.00 H ATOM 472 HB3 MET A 32 -0.035 11.132 4.406 1.00 0.00 H ATOM 473 HG2 MET A 32 0.398 8.719 3.999 1.00 0.00 H ATOM 474 HG3 MET A 32 1.914 9.144 3.186 1.00 0.00 H ATOM 475 HE1 MET A 32 2.868 7.304 4.661 1.00 0.00 H ATOM 476 HE2 MET A 32 3.211 7.445 6.402 1.00 0.00 H ATOM 477 HE3 MET A 32 1.564 7.062 5.848 1.00 0.00 H ATOM 478 N PRO A 33 1.621 10.555 0.608 1.00 0.00 N ATOM 479 CA PRO A 33 2.468 9.949 -0.397 1.00 0.00 C ATOM 480 C PRO A 33 3.470 9.019 0.273 1.00 0.00 C ATOM 481 O PRO A 33 4.139 9.409 1.227 1.00 0.00 O ATOM 482 CB PRO A 33 3.176 11.122 -1.071 1.00 0.00 C ATOM 483 CG PRO A 33 3.262 12.156 0.051 1.00 0.00 C ATOM 484 CD PRO A 33 1.944 11.953 0.795 1.00 0.00 C ATOM 485 HA PRO A 33 1.877 9.393 -1.124 1.00 0.00 H ATOM 486 HB2 PRO A 33 4.157 10.846 -1.458 1.00 0.00 H ATOM 487 HB3 PRO A 33 2.543 11.513 -1.868 1.00 0.00 H ATOM 488 HG2 PRO A 33 4.090 11.898 0.711 1.00 0.00 H ATOM 489 HG3 PRO A 33 3.372 13.172 -0.328 1.00 0.00 H ATOM 490 HD2 PRO A 33 2.051 12.202 1.850 1.00 0.00 H ATOM 491 HD3 PRO A 33 1.164 12.563 0.338 1.00 0.00 H ATOM 492 N VAL A 34 3.569 7.786 -0.228 1.00 0.00 N ATOM 493 CA VAL A 34 4.485 6.808 0.324 1.00 0.00 C ATOM 494 C VAL A 34 5.274 6.150 -0.799 1.00 0.00 C ATOM 495 O VAL A 34 4.867 6.199 -1.957 1.00 0.00 O ATOM 496 CB VAL A 34 3.699 5.765 1.115 1.00 0.00 C ATOM 497 CG1 VAL A 34 2.749 6.469 2.080 1.00 0.00 C ATOM 498 CG2 VAL A 34 2.894 4.897 0.152 1.00 0.00 C ATOM 499 H VAL A 34 2.995 7.516 -1.013 1.00 0.00 H ATOM 500 HA VAL A 34 5.179 7.312 0.996 1.00 0.00 H ATOM 501 HB VAL A 34 4.391 5.139 1.678 1.00 0.00 H ATOM 502 HG11 VAL A 34 1.727 6.385 1.710 1.00 0.00 H ATOM 503 HG12 VAL A 34 2.819 6.002 3.063 1.00 0.00 H ATOM 504 HG13 VAL A 34 3.023 7.521 2.157 1.00 0.00 H ATOM 505 HG21 VAL A 34 1.847 4.894 0.453 1.00 0.00 H ATOM 506 HG22 VAL A 34 2.981 5.299 -0.858 1.00 0.00 H ATOM 507 HG23 VAL A 34 3.281 3.878 0.171 1.00 0.00 H ATOM 508 N ALA A 35 6.407 5.535 -0.453 1.00 0.00 N ATOM 509 CA ALA A 35 7.247 4.873 -1.431 1.00 0.00 C ATOM 510 C ALA A 35 7.524 3.443 -0.990 1.00 0.00 C ATOM 511 O ALA A 35 8.243 3.220 -0.018 1.00 0.00 O ATOM 512 CB ALA A 35 8.549 5.652 -1.592 1.00 0.00 C ATOM 513 H ALA A 35 6.698 5.524 0.514 1.00 0.00 H ATOM 514 HA ALA A 35 6.726 4.852 -2.389 1.00 0.00 H ATOM 515 HB1 ALA A 35 9.222 5.101 -2.250 1.00 0.00 H ATOM 516 HB2 ALA A 35 8.337 6.629 -2.025 1.00 0.00 H ATOM 517 HB3 ALA A 35 9.019 5.780 -0.617 1.00 0.00 H ATOM 518 N ILE A 36 6.951 2.473 -1.706 1.00 0.00 N ATOM 519 CA ILE A 36 7.138 1.072 -1.388 1.00 0.00 C ATOM 520 C ILE A 36 7.587 0.317 -2.631 1.00 0.00 C ATOM 521 O ILE A 36 6.810 0.139 -3.566 1.00 0.00 O ATOM 522 CB ILE A 36 5.833 0.495 -0.846 1.00 0.00 C ATOM 523 CG1 ILE A 36 5.625 0.969 0.590 1.00 0.00 C ATOM 524 CG2 ILE A 36 5.901 -1.029 -0.873 1.00 0.00 C ATOM 525 CD1 ILE A 36 4.208 1.515 0.744 1.00 0.00 C ATOM 526 H ILE A 36 6.368 2.712 -2.496 1.00 0.00 H ATOM 527 HA ILE A 36 7.909 0.983 -0.623 1.00 0.00 H ATOM 528 HB ILE A 36 5.002 0.833 -1.464 1.00 0.00 H ATOM 529 HG12 ILE A 36 5.768 0.133 1.273 1.00 0.00 H ATOM 530 HG13 ILE A 36 6.344 1.755 0.821 1.00 0.00 H ATOM 531 HG21 ILE A 36 5.654 -1.386 -1.873 1.00 0.00 H ATOM 532 HG22 ILE A 36 6.908 -1.353 -0.611 1.00 0.00 H ATOM 533 HG23 ILE A 36 5.190 -1.438 -0.156 1.00 0.00 H ATOM 534 HD11 ILE A 36 3.606 0.807 1.314 1.00 0.00 H ATOM 535 HD12 ILE A 36 4.242 2.469 1.270 1.00 0.00 H ATOM 536 HD13 ILE A 36 3.765 1.659 -0.241 1.00 0.00 H ATOM 537 N TYR A 37 8.846 -0.127 -2.641 1.00 0.00 N ATOM 538 CA TYR A 37 9.389 -0.857 -3.769 1.00 0.00 C ATOM 539 C TYR A 37 9.448 -2.342 -3.442 1.00 0.00 C ATOM 540 O TYR A 37 9.897 -2.726 -2.364 1.00 0.00 O ATOM 541 CB TYR A 37 10.779 -0.320 -4.098 1.00 0.00 C ATOM 542 CG TYR A 37 10.826 1.182 -4.248 1.00 0.00 C ATOM 543 CD1 TYR A 37 10.840 1.999 -3.111 1.00 0.00 C ATOM 544 CD2 TYR A 37 10.854 1.757 -5.524 1.00 0.00 C ATOM 545 CE1 TYR A 37 10.883 3.391 -3.250 1.00 0.00 C ATOM 546 CE2 TYR A 37 10.898 3.150 -5.663 1.00 0.00 C ATOM 547 CZ TYR A 37 10.912 3.967 -4.526 1.00 0.00 C ATOM 548 OH TYR A 37 10.955 5.323 -4.661 1.00 0.00 O ATOM 549 H TYR A 37 9.446 0.046 -1.847 1.00 0.00 H ATOM 550 HA TYR A 37 8.740 -0.710 -4.631 1.00 0.00 H ATOM 551 HB2 TYR A 37 11.463 -0.611 -3.301 1.00 0.00 H ATOM 552 HB3 TYR A 37 11.116 -0.773 -5.031 1.00 0.00 H ATOM 553 HD1 TYR A 37 10.817 1.554 -2.127 1.00 0.00 H ATOM 554 HD2 TYR A 37 10.843 1.127 -6.401 1.00 0.00 H ATOM 555 HE1 TYR A 37 10.894 4.021 -2.373 1.00 0.00 H ATOM 556 HE2 TYR A 37 10.921 3.594 -6.647 1.00 0.00 H ATOM 557 HH TYR A 37 10.084 5.724 -4.699 1.00 0.00 H ATOM 558 N GLY A 38 8.993 -3.180 -4.377 1.00 0.00 N ATOM 559 CA GLY A 38 8.999 -4.616 -4.179 1.00 0.00 C ATOM 560 C GLY A 38 7.757 -5.047 -3.412 1.00 0.00 C ATOM 561 O GLY A 38 7.861 -5.641 -2.341 1.00 0.00 O ATOM 562 H GLY A 38 8.634 -2.815 -5.247 1.00 0.00 H ATOM 563 HA2 GLY A 38 9.014 -5.113 -5.149 1.00 0.00 H ATOM 564 HA3 GLY A 38 9.887 -4.899 -3.615 1.00 0.00 H ATOM 565 N VAL A 39 6.579 -4.746 -3.963 1.00 0.00 N ATOM 566 CA VAL A 39 5.325 -5.102 -3.330 1.00 0.00 C ATOM 567 C VAL A 39 4.993 -6.558 -3.628 1.00 0.00 C ATOM 568 O VAL A 39 4.758 -6.920 -4.779 1.00 0.00 O ATOM 569 CB VAL A 39 4.220 -4.181 -3.838 1.00 0.00 C ATOM 570 CG1 VAL A 39 2.947 -4.419 -3.031 1.00 0.00 C ATOM 571 CG2 VAL A 39 4.658 -2.727 -3.680 1.00 0.00 C ATOM 572 H VAL A 39 6.549 -4.257 -4.846 1.00 0.00 H ATOM 573 HA VAL A 39 5.424 -4.976 -2.252 1.00 0.00 H ATOM 574 HB VAL A 39 4.028 -4.389 -4.891 1.00 0.00 H ATOM 575 HG11 VAL A 39 2.205 -3.665 -3.292 1.00 0.00 H ATOM 576 HG12 VAL A 39 2.553 -5.410 -3.258 1.00 0.00 H ATOM 577 HG13 VAL A 39 3.174 -4.353 -1.967 1.00 0.00 H ATOM 578 HG21 VAL A 39 4.011 -2.230 -2.957 1.00 0.00 H ATOM 579 HG22 VAL A 39 5.689 -2.695 -3.328 1.00 0.00 H ATOM 580 HG23 VAL A 39 4.586 -2.219 -4.641 1.00 0.00 H ATOM 581 N ASN A 40 4.974 -7.393 -2.587 1.00 0.00 N ATOM 582 CA ASN A 40 4.671 -8.801 -2.744 1.00 0.00 C ATOM 583 C ASN A 40 3.231 -9.071 -2.329 1.00 0.00 C ATOM 584 O ASN A 40 2.538 -9.864 -2.963 1.00 0.00 O ATOM 585 CB ASN A 40 5.640 -9.626 -1.902 1.00 0.00 C ATOM 586 CG ASN A 40 6.969 -9.805 -2.621 1.00 0.00 C ATOM 587 OD1 ASN A 40 7.510 -10.907 -2.664 1.00 0.00 O ATOM 588 ND2 ASN A 40 7.493 -8.717 -3.190 1.00 0.00 N ATOM 589 H ASN A 40 5.175 -7.045 -1.660 1.00 0.00 H ATOM 590 HA ASN A 40 4.793 -9.075 -3.792 1.00 0.00 H ATOM 591 HB2 ASN A 40 5.811 -9.117 -0.953 1.00 0.00 H ATOM 592 HB3 ASN A 40 5.203 -10.606 -1.709 1.00 0.00 H ATOM 593 HD21 ASN A 40 7.009 -7.833 -3.128 1.00 0.00 H ATOM 594 HD22 ASN A 40 8.373 -8.780 -3.681 1.00 0.00 H ATOM 595 N TRP A 41 2.782 -8.409 -1.261 1.00 0.00 N ATOM 596 CA TRP A 41 1.428 -8.581 -0.772 1.00 0.00 C ATOM 597 C TRP A 41 1.056 -7.423 0.141 1.00 0.00 C ATOM 598 O TRP A 41 1.920 -6.837 0.790 1.00 0.00 O ATOM 599 CB TRP A 41 1.322 -9.911 -0.031 1.00 0.00 C ATOM 600 CG TRP A 41 0.033 -10.125 0.695 1.00 0.00 C ATOM 601 CD1 TRP A 41 -0.480 -9.302 1.635 1.00 0.00 C ATOM 602 CD2 TRP A 41 -0.922 -11.222 0.562 1.00 0.00 C ATOM 603 NE1 TRP A 41 -1.679 -9.810 2.090 1.00 0.00 N ATOM 604 CE2 TRP A 41 -1.999 -10.996 1.461 1.00 0.00 C ATOM 605 CE3 TRP A 41 -0.987 -12.386 -0.226 1.00 0.00 C ATOM 606 CZ2 TRP A 41 -3.081 -11.873 1.572 1.00 0.00 C ATOM 607 CZ3 TRP A 41 -2.069 -13.272 -0.121 1.00 0.00 C ATOM 608 CH2 TRP A 41 -3.115 -13.020 0.774 1.00 0.00 C ATOM 609 H TRP A 41 3.391 -7.767 -0.774 1.00 0.00 H ATOM 610 HA TRP A 41 0.745 -8.595 -1.621 1.00 0.00 H ATOM 611 HB2 TRP A 41 1.447 -10.717 -0.753 1.00 0.00 H ATOM 612 HB3 TRP A 41 2.136 -9.966 0.693 1.00 0.00 H ATOM 613 HD1 TRP A 41 -0.022 -8.386 1.978 1.00 0.00 H ATOM 614 HE1 TRP A 41 -2.232 -9.350 2.798 1.00 0.00 H ATOM 615 HE3 TRP A 41 -0.191 -12.600 -0.923 1.00 0.00 H ATOM 616 HZ2 TRP A 41 -3.882 -11.667 2.267 1.00 0.00 H ATOM 617 HZ3 TRP A 41 -2.095 -14.159 -0.738 1.00 0.00 H ATOM 618 HH2 TRP A 41 -3.944 -13.709 0.848 1.00 0.00 H ATOM 619 N VAL A 42 -0.237 -7.092 0.191 1.00 0.00 N ATOM 620 CA VAL A 42 -0.718 -6.008 1.022 1.00 0.00 C ATOM 621 C VAL A 42 -1.977 -6.443 1.758 1.00 0.00 C ATOM 622 O VAL A 42 -2.815 -7.146 1.197 1.00 0.00 O ATOM 623 CB VAL A 42 -0.996 -4.785 0.152 1.00 0.00 C ATOM 624 CG1 VAL A 42 -1.973 -3.860 0.871 1.00 0.00 C ATOM 625 CG2 VAL A 42 0.311 -4.040 -0.109 1.00 0.00 C ATOM 626 H VAL A 42 -0.907 -7.606 -0.363 1.00 0.00 H ATOM 627 HA VAL A 42 0.049 -5.755 1.754 1.00 0.00 H ATOM 628 HB VAL A 42 -1.428 -5.104 -0.796 1.00 0.00 H ATOM 629 HG11 VAL A 42 -1.699 -2.823 0.682 1.00 0.00 H ATOM 630 HG12 VAL A 42 -2.983 -4.042 0.503 1.00 0.00 H ATOM 631 HG13 VAL A 42 -1.937 -4.055 1.943 1.00 0.00 H ATOM 632 HG21 VAL A 42 0.091 -3.048 -0.502 1.00 0.00 H ATOM 633 HG22 VAL A 42 0.868 -3.946 0.823 1.00 0.00 H ATOM 634 HG23 VAL A 42 0.906 -4.595 -0.834 1.00 0.00 H ATOM 635 N GLU A 43 -2.110 -6.023 3.019 1.00 0.00 N ATOM 636 CA GLU A 43 -3.266 -6.372 3.820 1.00 0.00 C ATOM 637 C GLU A 43 -4.298 -5.254 3.758 1.00 0.00 C ATOM 638 O GLU A 43 -3.961 -4.111 3.455 1.00 0.00 O ATOM 639 CB GLU A 43 -2.828 -6.624 5.260 1.00 0.00 C ATOM 640 CG GLU A 43 -1.558 -7.469 5.264 1.00 0.00 C ATOM 641 CD GLU A 43 -1.508 -8.368 6.492 1.00 0.00 C ATOM 642 OE1 GLU A 43 -2.023 -9.502 6.386 1.00 0.00 O ATOM 643 OE2 GLU A 43 -0.955 -7.904 7.512 1.00 0.00 O ATOM 644 H GLU A 43 -1.393 -5.446 3.435 1.00 0.00 H ATOM 645 HA GLU A 43 -3.711 -7.284 3.422 1.00 0.00 H ATOM 646 HB2 GLU A 43 -2.633 -5.671 5.752 1.00 0.00 H ATOM 647 HB3 GLU A 43 -3.618 -7.153 5.793 1.00 0.00 H ATOM 648 HG2 GLU A 43 -1.536 -8.087 4.367 1.00 0.00 H ATOM 649 HG3 GLU A 43 -0.689 -6.810 5.267 1.00 0.00 H ATOM 650 N SER A 44 -5.558 -5.586 4.048 1.00 0.00 N ATOM 651 CA SER A 44 -6.629 -4.610 4.025 1.00 0.00 C ATOM 652 C SER A 44 -7.753 -5.056 4.950 1.00 0.00 C ATOM 653 O SER A 44 -8.735 -5.641 4.499 1.00 0.00 O ATOM 654 CB SER A 44 -7.137 -4.447 2.596 1.00 0.00 C ATOM 655 OG SER A 44 -6.047 -4.482 1.703 1.00 0.00 O ATOM 656 H SER A 44 -5.782 -6.540 4.291 1.00 0.00 H ATOM 657 HA SER A 44 -6.243 -3.653 4.374 1.00 0.00 H ATOM 658 HB2 SER A 44 -7.826 -5.259 2.360 1.00 0.00 H ATOM 659 HB3 SER A 44 -7.654 -3.493 2.501 1.00 0.00 H ATOM 660 HG SER A 44 -5.560 -5.297 1.848 1.00 0.00 H ATOM 661 N GLY A 45 -7.608 -4.777 6.248 1.00 0.00 N ATOM 662 CA GLY A 45 -8.612 -5.151 7.223 1.00 0.00 C ATOM 663 C GLY A 45 -9.999 -4.764 6.728 1.00 0.00 C ATOM 664 O GLY A 45 -10.169 -4.413 5.562 1.00 0.00 O ATOM 665 H GLY A 45 -6.781 -4.294 6.569 1.00 0.00 H ATOM 666 HA2 GLY A 45 -8.575 -6.228 7.384 1.00 0.00 H ATOM 667 HA3 GLY A 45 -8.409 -4.638 8.164 1.00 0.00 H ATOM 668 N ASN A 46 -10.991 -4.828 7.618 1.00 0.00 N ATOM 669 CA ASN A 46 -12.355 -4.485 7.266 1.00 0.00 C ATOM 670 C ASN A 46 -12.455 -2.994 6.974 1.00 0.00 C ATOM 671 O ASN A 46 -13.255 -2.291 7.588 1.00 0.00 O ATOM 672 CB ASN A 46 -13.287 -4.875 8.410 1.00 0.00 C ATOM 673 CG ASN A 46 -14.715 -4.435 8.121 1.00 0.00 C ATOM 674 OD1 ASN A 46 -15.035 -4.063 6.994 1.00 0.00 O ATOM 675 ND2 ASN A 46 -15.574 -4.481 9.142 1.00 0.00 N ATOM 676 H ASN A 46 -10.799 -5.123 8.564 1.00 0.00 H ATOM 677 HA ASN A 46 -12.640 -5.039 6.373 1.00 0.00 H ATOM 678 HB2 ASN A 46 -13.263 -5.957 8.537 1.00 0.00 H ATOM 679 HB3 ASN A 46 -12.945 -4.399 9.329 1.00 0.00 H ATOM 680 HD21 ASN A 46 -15.262 -4.796 10.049 1.00 0.00 H ATOM 681 HD22 ASN A 46 -16.534 -4.201 9.005 1.00 0.00 H ATOM 682 N ASN A 47 -11.641 -2.513 6.032 1.00 0.00 N ATOM 683 CA ASN A 47 -11.644 -1.111 5.664 1.00 0.00 C ATOM 684 C ASN A 47 -11.206 -0.955 4.215 1.00 0.00 C ATOM 685 O ASN A 47 -10.331 -1.679 3.746 1.00 0.00 O ATOM 686 CB ASN A 47 -10.713 -0.340 6.596 1.00 0.00 C ATOM 687 CG ASN A 47 -9.470 -1.157 6.920 1.00 0.00 C ATOM 688 OD1 ASN A 47 -9.362 -1.723 8.005 1.00 0.00 O ATOM 689 ND2 ASN A 47 -8.531 -1.218 5.973 1.00 0.00 N ATOM 690 H ASN A 47 -11.001 -3.133 5.557 1.00 0.00 H ATOM 691 HA ASN A 47 -12.655 -0.719 5.771 1.00 0.00 H ATOM 692 HB2 ASN A 47 -10.416 0.591 6.115 1.00 0.00 H ATOM 693 HB3 ASN A 47 -11.242 -0.113 7.522 1.00 0.00 H ATOM 694 HD21 ASN A 47 -8.667 -0.736 5.096 1.00 0.00 H ATOM 695 HD22 ASN A 47 -7.686 -1.746 6.135 1.00 0.00 H ATOM 696 N VAL A 48 -11.818 -0.004 3.506 1.00 0.00 N ATOM 697 CA VAL A 48 -11.490 0.245 2.116 1.00 0.00 C ATOM 698 C VAL A 48 -10.390 1.293 2.026 1.00 0.00 C ATOM 699 O VAL A 48 -10.549 2.406 2.522 1.00 0.00 O ATOM 700 CB VAL A 48 -12.740 0.708 1.374 1.00 0.00 C ATOM 701 CG1 VAL A 48 -12.456 0.752 -0.124 1.00 0.00 C ATOM 702 CG2 VAL A 48 -13.883 -0.267 1.646 1.00 0.00 C ATOM 703 H VAL A 48 -12.531 0.565 3.939 1.00 0.00 H ATOM 704 HA VAL A 48 -11.134 -0.681 1.665 1.00 0.00 H ATOM 705 HB VAL A 48 -13.021 1.702 1.720 1.00 0.00 H ATOM 706 HG11 VAL A 48 -13.077 1.518 -0.590 1.00 0.00 H ATOM 707 HG12 VAL A 48 -11.404 0.989 -0.288 1.00 0.00 H ATOM 708 HG13 VAL A 48 -12.682 -0.218 -0.566 1.00 0.00 H ATOM 709 HG21 VAL A 48 -14.129 -0.803 0.729 1.00 0.00 H ATOM 710 HG22 VAL A 48 -13.578 -0.979 2.413 1.00 0.00 H ATOM 711 HG23 VAL A 48 -14.757 0.285 1.990 1.00 0.00 H ATOM 712 N VAL A 49 -9.272 0.934 1.391 1.00 0.00 N ATOM 713 CA VAL A 49 -8.153 1.842 1.239 1.00 0.00 C ATOM 714 C VAL A 49 -7.618 1.767 -0.184 1.00 0.00 C ATOM 715 O VAL A 49 -7.550 0.687 -0.767 1.00 0.00 O ATOM 716 CB VAL A 49 -7.065 1.481 2.246 1.00 0.00 C ATOM 717 CG1 VAL A 49 -5.787 2.244 1.910 1.00 0.00 C ATOM 718 CG2 VAL A 49 -7.528 1.857 3.651 1.00 0.00 C ATOM 719 H VAL A 49 -9.192 0.005 1.002 1.00 0.00 H ATOM 720 HA VAL A 49 -8.493 2.859 1.436 1.00 0.00 H ATOM 721 HB VAL A 49 -6.871 0.409 2.202 1.00 0.00 H ATOM 722 HG11 VAL A 49 -5.759 2.453 0.841 1.00 0.00 H ATOM 723 HG12 VAL A 49 -5.767 3.182 2.465 1.00 0.00 H ATOM 724 HG13 VAL A 49 -4.921 1.641 2.185 1.00 0.00 H ATOM 725 HG21 VAL A 49 -8.284 2.639 3.587 1.00 0.00 H ATOM 726 HG22 VAL A 49 -7.952 0.980 4.141 1.00 0.00 H ATOM 727 HG23 VAL A 49 -6.677 2.219 4.229 1.00 0.00 H ATOM 728 N THR A 50 -7.237 2.918 -0.743 1.00 0.00 N ATOM 729 CA THR A 50 -6.711 2.971 -2.092 1.00 0.00 C ATOM 730 C THR A 50 -5.191 3.041 -2.053 1.00 0.00 C ATOM 731 O THR A 50 -4.622 3.833 -1.305 1.00 0.00 O ATOM 732 CB THR A 50 -7.290 4.183 -2.815 1.00 0.00 C ATOM 733 OG1 THR A 50 -8.567 3.863 -3.321 1.00 0.00 O ATOM 734 CG2 THR A 50 -6.370 4.576 -3.968 1.00 0.00 C ATOM 735 H THR A 50 -7.313 3.779 -0.221 1.00 0.00 H ATOM 736 HA THR A 50 -7.009 2.067 -2.623 1.00 0.00 H ATOM 737 HB THR A 50 -7.374 5.017 -2.117 1.00 0.00 H ATOM 738 HG1 THR A 50 -9.020 3.313 -2.678 1.00 0.00 H ATOM 739 HG21 THR A 50 -5.642 5.308 -3.619 1.00 0.00 H ATOM 740 HG22 THR A 50 -5.848 3.691 -4.333 1.00 0.00 H ATOM 741 HG23 THR A 50 -6.962 5.007 -4.775 1.00 0.00 H ATOM 742 N LEU A 51 -4.533 2.209 -2.864 1.00 0.00 N ATOM 743 CA LEU A 51 -3.085 2.181 -2.920 1.00 0.00 C ATOM 744 C LEU A 51 -2.608 2.764 -4.242 1.00 0.00 C ATOM 745 O LEU A 51 -3.022 2.314 -5.308 1.00 0.00 O ATOM 746 CB LEU A 51 -2.599 0.743 -2.757 1.00 0.00 C ATOM 747 CG LEU A 51 -2.613 0.367 -1.278 1.00 0.00 C ATOM 748 CD1 LEU A 51 -1.754 -0.876 -1.061 1.00 0.00 C ATOM 749 CD2 LEU A 51 -2.054 1.523 -0.454 1.00 0.00 C ATOM 750 H LEU A 51 -5.049 1.578 -3.460 1.00 0.00 H ATOM 751 HA LEU A 51 -2.688 2.783 -2.103 1.00 0.00 H ATOM 752 HB2 LEU A 51 -3.257 0.072 -3.309 1.00 0.00 H ATOM 753 HB3 LEU A 51 -1.584 0.657 -3.144 1.00 0.00 H ATOM 754 HG LEU A 51 -3.637 0.160 -0.966 1.00 0.00 H ATOM 755 HD11 LEU A 51 -2.386 -1.764 -1.089 1.00 0.00 H ATOM 756 HD12 LEU A 51 -1.003 -0.940 -1.848 1.00 0.00 H ATOM 757 HD13 LEU A 51 -1.260 -0.811 -0.092 1.00 0.00 H ATOM 758 HD21 LEU A 51 -2.778 2.337 -0.431 1.00 0.00 H ATOM 759 HD22 LEU A 51 -1.857 1.182 0.563 1.00 0.00 H ATOM 760 HD23 LEU A 51 -1.126 1.875 -0.905 1.00 0.00 H ATOM 761 N GLN A 52 -1.733 3.771 -4.171 1.00 0.00 N ATOM 762 CA GLN A 52 -1.206 4.410 -5.359 1.00 0.00 C ATOM 763 C GLN A 52 0.265 4.056 -5.526 1.00 0.00 C ATOM 764 O GLN A 52 1.108 4.522 -4.762 1.00 0.00 O ATOM 765 CB GLN A 52 -1.389 5.921 -5.246 1.00 0.00 C ATOM 766 CG GLN A 52 -2.807 6.295 -5.668 1.00 0.00 C ATOM 767 CD GLN A 52 -2.807 7.563 -6.509 1.00 0.00 C ATOM 768 OE1 GLN A 52 -3.285 8.605 -6.064 1.00 0.00 O ATOM 769 NE2 GLN A 52 -2.268 7.474 -7.727 1.00 0.00 N ATOM 770 H GLN A 52 -1.425 4.104 -3.269 1.00 0.00 H ATOM 771 HA GLN A 52 -1.757 4.051 -6.228 1.00 0.00 H ATOM 772 HB2 GLN A 52 -1.224 6.230 -4.214 1.00 0.00 H ATOM 773 HB3 GLN A 52 -0.673 6.423 -5.896 1.00 0.00 H ATOM 774 HG2 GLN A 52 -3.234 5.479 -6.252 1.00 0.00 H ATOM 775 HG3 GLN A 52 -3.415 6.455 -4.778 1.00 0.00 H ATOM 776 HE21 GLN A 52 -1.888 6.595 -8.047 1.00 0.00 H ATOM 777 HE22 GLN A 52 -2.242 8.286 -8.327 1.00 0.00 H ATOM 778 N PHE A 53 0.573 3.231 -6.529 1.00 0.00 N ATOM 779 CA PHE A 53 1.939 2.823 -6.790 1.00 0.00 C ATOM 780 C PHE A 53 2.223 2.892 -8.283 1.00 0.00 C ATOM 781 O PHE A 53 1.306 2.802 -9.097 1.00 0.00 O ATOM 782 CB PHE A 53 2.154 1.406 -6.263 1.00 0.00 C ATOM 783 CG PHE A 53 1.295 0.371 -6.950 1.00 0.00 C ATOM 784 CD1 PHE A 53 -0.005 0.126 -6.493 1.00 0.00 C ATOM 785 CD2 PHE A 53 1.801 -0.346 -8.040 1.00 0.00 C ATOM 786 CE1 PHE A 53 -0.801 -0.835 -7.128 1.00 0.00 C ATOM 787 CE2 PHE A 53 1.006 -1.307 -8.676 1.00 0.00 C ATOM 788 CZ PHE A 53 -0.295 -1.552 -8.220 1.00 0.00 C ATOM 789 H PHE A 53 -0.158 2.876 -7.130 1.00 0.00 H ATOM 790 HA PHE A 53 2.616 3.500 -6.269 1.00 0.00 H ATOM 791 HB2 PHE A 53 3.201 1.138 -6.403 1.00 0.00 H ATOM 792 HB3 PHE A 53 1.929 1.393 -5.196 1.00 0.00 H ATOM 793 HD1 PHE A 53 -0.395 0.679 -5.651 1.00 0.00 H ATOM 794 HD2 PHE A 53 2.805 -0.157 -8.392 1.00 0.00 H ATOM 795 HE1 PHE A 53 -1.804 -1.024 -6.776 1.00 0.00 H ATOM 796 HE2 PHE A 53 1.396 -1.860 -9.517 1.00 0.00 H ATOM 797 HZ PHE A 53 -0.909 -2.293 -8.709 1.00 0.00 H ATOM 798 N GLN A 54 3.499 3.053 -8.643 1.00 0.00 N ATOM 799 CA GLN A 54 3.896 3.134 -10.034 1.00 0.00 C ATOM 800 C GLN A 54 4.462 1.796 -10.489 1.00 0.00 C ATOM 801 O GLN A 54 5.535 1.392 -10.048 1.00 0.00 O ATOM 802 CB GLN A 54 4.930 4.244 -10.202 1.00 0.00 C ATOM 803 CG GLN A 54 4.869 4.785 -11.628 1.00 0.00 C ATOM 804 CD GLN A 54 5.630 6.098 -11.743 1.00 0.00 C ATOM 805 OE1 GLN A 54 5.094 7.158 -11.427 1.00 0.00 O ATOM 806 NE2 GLN A 54 6.884 6.025 -12.197 1.00 0.00 N ATOM 807 H GLN A 54 4.215 3.121 -7.934 1.00 0.00 H ATOM 808 HA GLN A 54 3.020 3.372 -10.639 1.00 0.00 H ATOM 809 HB2 GLN A 54 4.716 5.049 -9.499 1.00 0.00 H ATOM 810 HB3 GLN A 54 5.925 3.846 -10.007 1.00 0.00 H ATOM 811 HG2 GLN A 54 5.310 4.055 -12.307 1.00 0.00 H ATOM 812 HG3 GLN A 54 3.828 4.949 -11.905 1.00 0.00 H ATOM 813 HE21 GLN A 54 7.279 5.129 -12.444 1.00 0.00 H ATOM 814 HE22 GLN A 54 7.434 6.867 -12.294 1.00 0.00 H ATOM 815 N ARG A 55 3.736 1.110 -11.375 1.00 0.00 N ATOM 816 CA ARG A 55 4.167 -0.176 -11.884 1.00 0.00 C ATOM 817 C ARG A 55 5.605 -0.081 -12.374 1.00 0.00 C ATOM 818 O ARG A 55 6.511 -0.640 -11.760 1.00 0.00 O ATOM 819 CB ARG A 55 3.239 -0.612 -13.014 1.00 0.00 C ATOM 820 CG ARG A 55 2.949 -2.105 -12.887 1.00 0.00 C ATOM 821 CD ARG A 55 1.944 -2.521 -13.957 1.00 0.00 C ATOM 822 NE ARG A 55 0.826 -3.260 -13.369 1.00 0.00 N ATOM 823 CZ ARG A 55 0.066 -4.109 -14.074 1.00 0.00 C ATOM 824 NH1 ARG A 55 0.317 -4.311 -15.374 1.00 0.00 N ATOM 825 NH2 ARG A 55 -0.945 -4.756 -13.478 1.00 0.00 N ATOM 826 H ARG A 55 2.860 1.488 -11.706 1.00 0.00 H ATOM 827 HA ARG A 55 4.116 -0.911 -11.081 1.00 0.00 H ATOM 828 HB2 ARG A 55 2.305 -0.054 -12.953 1.00 0.00 H ATOM 829 HB3 ARG A 55 3.718 -0.415 -13.974 1.00 0.00 H ATOM 830 HG2 ARG A 55 3.874 -2.667 -13.020 1.00 0.00 H ATOM 831 HG3 ARG A 55 2.536 -2.312 -11.900 1.00 0.00 H ATOM 832 HD2 ARG A 55 1.561 -1.629 -14.454 1.00 0.00 H ATOM 833 HD3 ARG A 55 2.443 -3.153 -14.691 1.00 0.00 H ATOM 834 HE ARG A 55 0.630 -3.114 -12.389 1.00 0.00 H ATOM 835 HH11 ARG A 55 1.079 -3.823 -15.823 1.00 0.00 H ATOM 836 HH12 ARG A 55 -0.256 -4.951 -15.906 1.00 0.00 H ATOM 837 HH21 ARG A 55 -1.134 -4.603 -12.498 1.00 0.00 H ATOM 838 HH22 ARG A 55 -1.518 -5.395 -14.009 1.00 0.00 H ATOM 839 N ASN A 56 5.814 0.630 -13.485 1.00 0.00 N ATOM 840 CA ASN A 56 7.139 0.794 -14.048 1.00 0.00 C ATOM 841 C ASN A 56 7.725 2.130 -13.615 1.00 0.00 C ATOM 842 O ASN A 56 7.005 3.120 -13.501 1.00 0.00 O ATOM 843 CB ASN A 56 7.057 0.708 -15.569 1.00 0.00 C ATOM 844 CG ASN A 56 6.739 -0.712 -16.017 1.00 0.00 C ATOM 845 OD1 ASN A 56 5.949 -1.403 -15.377 1.00 0.00 O ATOM 846 ND2 ASN A 56 7.354 -1.145 -17.119 1.00 0.00 N ATOM 847 H ASN A 56 5.035 1.071 -13.953 1.00 0.00 H ATOM 848 HA ASN A 56 7.781 -0.007 -13.683 1.00 0.00 H ATOM 849 HB2 ASN A 56 6.276 1.380 -15.924 1.00 0.00 H ATOM 850 HB3 ASN A 56 8.012 1.011 -15.997 1.00 0.00 H ATOM 851 HD21 ASN A 56 7.994 -0.537 -17.611 1.00 0.00 H ATOM 852 HD22 ASN A 56 7.178 -2.079 -17.461 1.00 0.00 H ATOM 853 N LEU A 57 9.038 2.157 -13.374 1.00 0.00 N ATOM 854 CA LEU A 57 9.715 3.369 -12.956 1.00 0.00 C ATOM 855 C LEU A 57 10.081 4.203 -14.176 1.00 0.00 C ATOM 856 O LEU A 57 9.773 5.391 -14.233 1.00 0.00 O ATOM 857 CB LEU A 57 10.962 3.004 -12.156 1.00 0.00 C ATOM 858 CG LEU A 57 11.872 4.225 -12.049 1.00 0.00 C ATOM 859 CD1 LEU A 57 11.193 5.292 -11.195 1.00 0.00 C ATOM 860 CD2 LEU A 57 13.193 3.819 -11.402 1.00 0.00 C ATOM 861 H LEU A 57 9.585 1.315 -13.483 1.00 0.00 H ATOM 862 HA LEU A 57 9.044 3.948 -12.321 1.00 0.00 H ATOM 863 HB2 LEU A 57 10.671 2.679 -11.158 1.00 0.00 H ATOM 864 HB3 LEU A 57 11.494 2.198 -12.661 1.00 0.00 H ATOM 865 HG LEU A 57 12.063 4.624 -13.045 1.00 0.00 H ATOM 866 HD11 LEU A 57 10.115 5.248 -11.348 1.00 0.00 H ATOM 867 HD12 LEU A 57 11.419 5.114 -10.144 1.00 0.00 H ATOM 868 HD13 LEU A 57 11.561 6.277 -11.484 1.00 0.00 H ATOM 869 HD21 LEU A 57 13.019 2.998 -10.705 1.00 0.00 H ATOM 870 HD22 LEU A 57 13.892 3.498 -12.174 1.00 0.00 H ATOM 871 HD23 LEU A 57 13.610 4.670 -10.863 1.00 0.00 H ATOM 872 N SER A 58 10.741 3.577 -15.152 1.00 0.00 N ATOM 873 CA SER A 58 11.144 4.263 -16.363 1.00 0.00 C ATOM 874 C SER A 58 9.956 5.007 -16.955 1.00 0.00 C ATOM 875 O SER A 58 10.076 6.168 -17.339 1.00 0.00 O ATOM 876 CB SER A 58 11.698 3.249 -17.361 1.00 0.00 C ATOM 877 OG SER A 58 12.618 3.888 -18.217 1.00 0.00 O ATOM 878 H SER A 58 10.971 2.598 -15.056 1.00 0.00 H ATOM 879 HA SER A 58 11.926 4.982 -16.119 1.00 0.00 H ATOM 880 HB2 SER A 58 12.201 2.446 -16.821 1.00 0.00 H ATOM 881 HB3 SER A 58 10.881 2.835 -17.950 1.00 0.00 H ATOM 882 HG SER A 58 12.388 3.676 -19.125 1.00 0.00 H ATOM 883 N ASP A 59 8.804 4.335 -17.027 1.00 0.00 N ATOM 884 CA ASP A 59 7.602 4.935 -17.570 1.00 0.00 C ATOM 885 C ASP A 59 6.657 5.310 -16.438 1.00 0.00 C ATOM 886 O ASP A 59 6.569 4.600 -15.439 1.00 0.00 O ATOM 887 CB ASP A 59 6.934 3.954 -18.530 1.00 0.00 C ATOM 888 CG ASP A 59 5.748 4.601 -19.231 1.00 0.00 C ATOM 889 OD1 ASP A 59 4.656 4.594 -18.622 1.00 0.00 O ATOM 890 OD2 ASP A 59 5.956 5.091 -20.362 1.00 0.00 O ATOM 891 H ASP A 59 8.758 3.382 -16.697 1.00 0.00 H ATOM 892 HA ASP A 59 7.873 5.837 -18.119 1.00 0.00 H ATOM 893 HB2 ASP A 59 7.660 3.633 -19.277 1.00 0.00 H ATOM 894 HB3 ASP A 59 6.588 3.085 -17.970 1.00 0.00 H ATOM 895 N PRO A 60 5.949 6.431 -16.595 1.00 0.00 N ATOM 896 CA PRO A 60 5.003 6.942 -15.626 1.00 0.00 C ATOM 897 C PRO A 60 3.756 6.070 -15.623 1.00 0.00 C ATOM 898 O PRO A 60 2.638 6.582 -15.639 1.00 0.00 O ATOM 899 CB PRO A 60 4.681 8.357 -16.101 1.00 0.00 C ATOM 900 CG PRO A 60 4.849 8.252 -17.616 1.00 0.00 C ATOM 901 CD PRO A 60 6.028 7.291 -17.757 1.00 0.00 C ATOM 902 HA PRO A 60 5.440 6.966 -14.628 1.00 0.00 H ATOM 903 HB2 PRO A 60 3.677 8.671 -15.815 1.00 0.00 H ATOM 904 HB3 PRO A 60 5.428 9.046 -15.707 1.00 0.00 H ATOM 905 HG2 PRO A 60 3.958 7.791 -18.043 1.00 0.00 H ATOM 906 HG3 PRO A 60 5.045 9.218 -18.081 1.00 0.00 H ATOM 907 HD2 PRO A 60 5.956 6.721 -18.683 1.00 0.00 H ATOM 908 HD3 PRO A 60 6.964 7.847 -17.725 1.00 0.00 H ATOM 909 N ARG A 61 3.948 4.749 -15.603 1.00 0.00 N ATOM 910 CA ARG A 61 2.841 3.814 -15.601 1.00 0.00 C ATOM 911 C ARG A 61 2.193 3.786 -14.224 1.00 0.00 C ATOM 912 O ARG A 61 2.526 2.940 -13.397 1.00 0.00 O ATOM 913 CB ARG A 61 3.346 2.428 -15.989 1.00 0.00 C ATOM 914 CG ARG A 61 2.662 1.979 -17.277 1.00 0.00 C ATOM 915 CD ARG A 61 2.342 0.490 -17.192 1.00 0.00 C ATOM 916 NE ARG A 61 1.733 0.011 -18.432 1.00 0.00 N ATOM 917 CZ ARG A 61 1.598 -1.291 -18.720 1.00 0.00 C ATOM 918 NH1 ARG A 61 2.029 -2.217 -17.853 1.00 0.00 N ATOM 919 NH2 ARG A 61 1.031 -1.667 -19.874 1.00 0.00 N ATOM 920 H ARG A 61 4.888 4.380 -15.591 1.00 0.00 H ATOM 921 HA ARG A 61 2.102 4.139 -16.333 1.00 0.00 H ATOM 922 HB2 ARG A 61 4.425 2.464 -16.143 1.00 0.00 H ATOM 923 HB3 ARG A 61 3.117 1.721 -15.191 1.00 0.00 H ATOM 924 HG2 ARG A 61 1.739 2.542 -17.413 1.00 0.00 H ATOM 925 HG3 ARG A 61 3.326 2.160 -18.123 1.00 0.00 H ATOM 926 HD2 ARG A 61 3.264 -0.064 -17.009 1.00 0.00 H ATOM 927 HD3 ARG A 61 1.653 0.319 -16.365 1.00 0.00 H ATOM 928 HE ARG A 61 1.403 0.701 -19.092 1.00 0.00 H ATOM 929 HH11 ARG A 61 2.456 -1.933 -16.982 1.00 0.00 H ATOM 930 HH12 ARG A 61 1.928 -3.198 -18.069 1.00 0.00 H ATOM 931 HH21 ARG A 61 0.706 -0.969 -20.528 1.00 0.00 H ATOM 932 HH22 ARG A 61 0.930 -2.648 -20.091 1.00 0.00 H ATOM 933 N LEU A 62 1.265 4.714 -13.980 1.00 0.00 N ATOM 934 CA LEU A 62 0.576 4.791 -12.707 1.00 0.00 C ATOM 935 C LEU A 62 -0.491 3.708 -12.631 1.00 0.00 C ATOM 936 O LEU A 62 -1.203 3.466 -13.604 1.00 0.00 O ATOM 937 CB LEU A 62 -0.047 6.175 -12.549 1.00 0.00 C ATOM 938 CG LEU A 62 0.564 6.871 -11.336 1.00 0.00 C ATOM 939 CD1 LEU A 62 -0.155 6.412 -10.070 1.00 0.00 C ATOM 940 CD2 LEU A 62 2.045 6.516 -11.237 1.00 0.00 C ATOM 941 H LEU A 62 1.028 5.387 -14.695 1.00 0.00 H ATOM 942 HA LEU A 62 1.297 4.633 -11.905 1.00 0.00 H ATOM 943 HB2 LEU A 62 0.149 6.766 -13.444 1.00 0.00 H ATOM 944 HB3 LEU A 62 -1.123 6.075 -12.407 1.00 0.00 H ATOM 945 HG LEU A 62 0.455 7.950 -11.443 1.00 0.00 H ATOM 946 HD11 LEU A 62 -0.078 7.186 -9.307 1.00 0.00 H ATOM 947 HD12 LEU A 62 -1.205 6.227 -10.296 1.00 0.00 H ATOM 948 HD13 LEU A 62 0.305 5.494 -9.704 1.00 0.00 H ATOM 949 HD21 LEU A 62 2.594 7.361 -10.821 1.00 0.00 H ATOM 950 HD22 LEU A 62 2.168 5.648 -10.590 1.00 0.00 H ATOM 951 HD23 LEU A 62 2.430 6.286 -12.231 1.00 0.00 H ATOM 952 N GLU A 63 -0.601 3.055 -11.472 1.00 0.00 N ATOM 953 CA GLU A 63 -1.581 2.005 -11.279 1.00 0.00 C ATOM 954 C GLU A 63 -2.273 2.182 -9.935 1.00 0.00 C ATOM 955 O GLU A 63 -1.623 2.461 -8.930 1.00 0.00 O ATOM 956 CB GLU A 63 -0.890 0.646 -11.356 1.00 0.00 C ATOM 957 CG GLU A 63 -0.228 0.490 -12.722 1.00 0.00 C ATOM 958 CD GLU A 63 -1.259 0.572 -13.838 1.00 0.00 C ATOM 959 OE1 GLU A 63 -2.454 0.387 -13.522 1.00 0.00 O ATOM 960 OE2 GLU A 63 -0.833 0.817 -14.988 1.00 0.00 O ATOM 961 H GLU A 63 0.009 3.292 -10.702 1.00 0.00 H ATOM 962 HA GLU A 63 -2.327 2.067 -12.071 1.00 0.00 H ATOM 963 HB2 GLU A 63 -0.133 0.579 -10.575 1.00 0.00 H ATOM 964 HB3 GLU A 63 -1.627 -0.145 -11.217 1.00 0.00 H ATOM 965 HG2 GLU A 63 0.508 1.283 -12.856 1.00 0.00 H ATOM 966 HG3 GLU A 63 0.274 -0.477 -12.768 1.00 0.00 H ATOM 967 N THR A 64 -3.598 2.017 -9.917 1.00 0.00 N ATOM 968 CA THR A 64 -4.367 2.158 -8.697 1.00 0.00 C ATOM 969 C THR A 64 -5.062 0.845 -8.368 1.00 0.00 C ATOM 970 O THR A 64 -5.540 0.151 -9.262 1.00 0.00 O ATOM 971 CB THR A 64 -5.386 3.281 -8.867 1.00 0.00 C ATOM 972 OG1 THR A 64 -5.927 3.233 -10.168 1.00 0.00 O ATOM 973 CG2 THR A 64 -4.700 4.627 -8.651 1.00 0.00 C ATOM 974 H THR A 64 -4.087 1.788 -10.771 1.00 0.00 H ATOM 975 HA THR A 64 -3.691 2.414 -7.881 1.00 0.00 H ATOM 976 HB THR A 64 -6.185 3.159 -8.136 1.00 0.00 H ATOM 977 HG1 THR A 64 -6.428 4.037 -10.319 1.00 0.00 H ATOM 978 HG21 THR A 64 -4.968 5.018 -7.669 1.00 0.00 H ATOM 979 HG22 THR A 64 -3.619 4.498 -8.708 1.00 0.00 H ATOM 980 HG23 THR A 64 -5.023 5.327 -9.421 1.00 0.00 H ATOM 981 N ILE A 65 -5.116 0.505 -7.078 1.00 0.00 N ATOM 982 CA ILE A 65 -5.752 -0.719 -6.633 1.00 0.00 C ATOM 983 C ILE A 65 -6.576 -0.447 -5.383 1.00 0.00 C ATOM 984 O ILE A 65 -6.086 0.164 -4.435 1.00 0.00 O ATOM 985 CB ILE A 65 -4.685 -1.775 -6.360 1.00 0.00 C ATOM 986 CG1 ILE A 65 -5.331 -3.158 -6.339 1.00 0.00 C ATOM 987 CG2 ILE A 65 -4.030 -1.499 -5.009 1.00 0.00 C ATOM 988 CD1 ILE A 65 -4.272 -4.209 -6.019 1.00 0.00 C ATOM 989 H ILE A 65 -4.706 1.112 -6.382 1.00 0.00 H ATOM 990 HA ILE A 65 -6.413 -1.080 -7.421 1.00 0.00 H ATOM 991 HB ILE A 65 -3.929 -1.739 -7.144 1.00 0.00 H ATOM 992 HG12 ILE A 65 -6.110 -3.184 -5.577 1.00 0.00 H ATOM 993 HG13 ILE A 65 -5.769 -3.369 -7.315 1.00 0.00 H ATOM 994 HG21 ILE A 65 -4.268 -0.484 -4.692 1.00 0.00 H ATOM 995 HG22 ILE A 65 -4.407 -2.208 -4.272 1.00 0.00 H ATOM 996 HG23 ILE A 65 -2.950 -1.608 -5.100 1.00 0.00 H ATOM 997 HD11 ILE A 65 -3.380 -3.719 -5.629 1.00 0.00 H ATOM 998 HD12 ILE A 65 -4.661 -4.902 -5.273 1.00 0.00 H ATOM 999 HD13 ILE A 65 -4.017 -4.757 -6.927 1.00 0.00 H ATOM 1000 N THR A 66 -7.831 -0.901 -5.380 1.00 0.00 N ATOM 1001 CA THR A 66 -8.710 -0.703 -4.246 1.00 0.00 C ATOM 1002 C THR A 66 -8.815 -1.990 -3.440 1.00 0.00 C ATOM 1003 O THR A 66 -9.199 -3.029 -3.972 1.00 0.00 O ATOM 1004 CB THR A 66 -10.084 -0.261 -4.740 1.00 0.00 C ATOM 1005 OG1 THR A 66 -9.985 1.021 -5.320 1.00 0.00 O ATOM 1006 CG2 THR A 66 -11.057 -0.213 -3.565 1.00 0.00 C ATOM 1007 H THR A 66 -8.187 -1.398 -6.184 1.00 0.00 H ATOM 1008 HA THR A 66 -8.295 0.079 -3.610 1.00 0.00 H ATOM 1009 HB THR A 66 -10.448 -0.969 -5.484 1.00 0.00 H ATOM 1010 HG1 THR A 66 -9.939 0.921 -6.274 1.00 0.00 H ATOM 1011 HG21 THR A 66 -12.032 -0.580 -3.885 1.00 0.00 H ATOM 1012 HG22 THR A 66 -10.681 -0.840 -2.757 1.00 0.00 H ATOM 1013 HG23 THR A 66 -11.152 0.814 -3.214 1.00 0.00 H ATOM 1014 N LEU A 67 -8.474 -1.918 -2.152 1.00 0.00 N ATOM 1015 CA LEU A 67 -8.531 -3.074 -1.279 1.00 0.00 C ATOM 1016 C LEU A 67 -9.844 -3.074 -0.508 1.00 0.00 C ATOM 1017 O LEU A 67 -10.172 -2.099 0.164 1.00 0.00 O ATOM 1018 CB LEU A 67 -7.343 -3.048 -0.322 1.00 0.00 C ATOM 1019 CG LEU A 67 -6.085 -2.642 -1.085 1.00 0.00 C ATOM 1020 CD1 LEU A 67 -4.998 -2.236 -0.094 1.00 0.00 C ATOM 1021 CD2 LEU A 67 -5.596 -3.820 -1.923 1.00 0.00 C ATOM 1022 H LEU A 67 -8.165 -1.038 -1.763 1.00 0.00 H ATOM 1023 HA LEU A 67 -8.477 -3.978 -1.886 1.00 0.00 H ATOM 1024 HB2 LEU A 67 -7.533 -2.328 0.474 1.00 0.00 H ATOM 1025 HB3 LEU A 67 -7.202 -4.039 0.109 1.00 0.00 H ATOM 1026 HG LEU A 67 -6.312 -1.800 -1.739 1.00 0.00 H ATOM 1027 HD11 LEU A 67 -4.309 -1.540 -0.575 1.00 0.00 H ATOM 1028 HD12 LEU A 67 -5.455 -1.755 0.770 1.00 0.00 H ATOM 1029 HD13 LEU A 67 -4.451 -3.122 0.229 1.00 0.00 H ATOM 1030 HD21 LEU A 67 -5.591 -4.723 -1.313 1.00 0.00 H ATOM 1031 HD22 LEU A 67 -6.261 -3.961 -2.775 1.00 0.00 H ATOM 1032 HD23 LEU A 67 -4.586 -3.618 -2.280 1.00 0.00 H ATOM 1033 N GLN A 68 -10.595 -4.173 -0.607 1.00 0.00 N ATOM 1034 CA GLN A 68 -11.866 -4.294 0.079 1.00 0.00 C ATOM 1035 C GLN A 68 -11.639 -4.770 1.507 1.00 0.00 C ATOM 1036 O GLN A 68 -10.500 -4.972 1.923 1.00 0.00 O ATOM 1037 CB GLN A 68 -12.761 -5.269 -0.680 1.00 0.00 C ATOM 1038 CG GLN A 68 -12.922 -4.796 -2.122 1.00 0.00 C ATOM 1039 CD GLN A 68 -13.945 -3.673 -2.213 1.00 0.00 C ATOM 1040 OE1 GLN A 68 -15.099 -3.909 -2.565 1.00 0.00 O ATOM 1041 NE2 GLN A 68 -13.518 -2.448 -1.897 1.00 0.00 N ATOM 1042 H GLN A 68 -10.280 -4.948 -1.173 1.00 0.00 H ATOM 1043 HA GLN A 68 -12.348 -3.317 0.105 1.00 0.00 H ATOM 1044 HB2 GLN A 68 -12.308 -6.260 -0.671 1.00 0.00 H ATOM 1045 HB3 GLN A 68 -13.739 -5.313 -0.200 1.00 0.00 H ATOM 1046 HG2 GLN A 68 -11.961 -4.437 -2.490 1.00 0.00 H ATOM 1047 HG3 GLN A 68 -13.253 -5.633 -2.738 1.00 0.00 H ATOM 1048 HE21 GLN A 68 -12.559 -2.306 -1.615 1.00 0.00 H ATOM 1049 HE22 GLN A 68 -14.155 -1.666 -1.941 1.00 0.00 H ATOM 1050 N LYS A 69 -12.727 -4.950 2.259 1.00 0.00 N ATOM 1051 CA LYS A 69 -12.640 -5.401 3.633 1.00 0.00 C ATOM 1052 C LYS A 69 -11.888 -6.723 3.698 1.00 0.00 C ATOM 1053 O LYS A 69 -12.218 -7.663 2.979 1.00 0.00 O ATOM 1054 CB LYS A 69 -14.045 -5.550 4.209 1.00 0.00 C ATOM 1055 CG LYS A 69 -14.877 -4.324 3.844 1.00 0.00 C ATOM 1056 CD LYS A 69 -16.086 -4.756 3.019 1.00 0.00 C ATOM 1057 CE LYS A 69 -16.626 -3.558 2.242 1.00 0.00 C ATOM 1058 NZ LYS A 69 -17.977 -3.830 1.727 1.00 0.00 N ATOM 1059 H LYS A 69 -13.642 -4.770 1.869 1.00 0.00 H ATOM 1060 HA LYS A 69 -12.096 -4.657 4.216 1.00 0.00 H ATOM 1061 HB2 LYS A 69 -14.514 -6.443 3.796 1.00 0.00 H ATOM 1062 HB3 LYS A 69 -13.986 -5.639 5.294 1.00 0.00 H ATOM 1063 HG2 LYS A 69 -15.216 -3.830 4.755 1.00 0.00 H ATOM 1064 HG3 LYS A 69 -14.268 -3.632 3.261 1.00 0.00 H ATOM 1065 HD2 LYS A 69 -15.789 -5.538 2.320 1.00 0.00 H ATOM 1066 HD3 LYS A 69 -16.861 -5.138 3.683 1.00 0.00 H ATOM 1067 HE2 LYS A 69 -16.663 -2.691 2.902 1.00 0.00 H ATOM 1068 HE3 LYS A 69 -15.961 -3.345 1.406 1.00 0.00 H ATOM 1069 HZ1 LYS A 69 -18.628 -3.880 2.497 1.00 0.00 H ATOM 1070 HZ2 LYS A 69 -18.253 -3.088 1.100 1.00 0.00 H ATOM 1071 HZ3 LYS A 69 -17.977 -4.709 1.229 1.00 0.00 H ATOM 1072 N TRP A 70 -10.873 -6.793 4.562 1.00 0.00 N ATOM 1073 CA TRP A 70 -10.085 -7.999 4.714 1.00 0.00 C ATOM 1074 C TRP A 70 -9.457 -8.380 3.380 1.00 0.00 C ATOM 1075 O TRP A 70 -9.235 -9.557 3.109 1.00 0.00 O ATOM 1076 CB TRP A 70 -10.974 -9.125 5.234 1.00 0.00 C ATOM 1077 CG TRP A 70 -11.777 -8.783 6.448 1.00 0.00 C ATOM 1078 CD1 TRP A 70 -13.124 -8.686 6.490 1.00 0.00 C ATOM 1079 CD2 TRP A 70 -11.313 -8.488 7.801 1.00 0.00 C ATOM 1080 NE1 TRP A 70 -13.523 -8.354 7.768 1.00 0.00 N ATOM 1081 CE2 TRP A 70 -12.444 -8.219 8.618 1.00 0.00 C ATOM 1082 CE3 TRP A 70 -10.053 -8.420 8.420 1.00 0.00 C ATOM 1083 CZ2 TRP A 70 -12.332 -7.901 9.974 1.00 0.00 C ATOM 1084 CZ3 TRP A 70 -9.929 -8.102 9.781 1.00 0.00 C ATOM 1085 CH2 TRP A 70 -11.064 -7.842 10.559 1.00 0.00 C ATOM 1086 H TRP A 70 -10.641 -5.992 5.131 1.00 0.00 H ATOM 1087 HA TRP A 70 -9.291 -7.814 5.437 1.00 0.00 H ATOM 1088 HB2 TRP A 70 -11.661 -9.414 4.439 1.00 0.00 H ATOM 1089 HB3 TRP A 70 -10.341 -9.980 5.471 1.00 0.00 H ATOM 1090 HD1 TRP A 70 -13.787 -8.845 5.652 1.00 0.00 H ATOM 1091 HE1 TRP A 70 -14.493 -8.231 8.021 1.00 0.00 H ATOM 1092 HE3 TRP A 70 -9.164 -8.617 7.839 1.00 0.00 H ATOM 1093 HZ2 TRP A 70 -13.215 -7.702 10.564 1.00 0.00 H ATOM 1094 HZ3 TRP A 70 -8.949 -8.056 10.232 1.00 0.00 H ATOM 1095 HH2 TRP A 70 -10.959 -7.597 11.605 1.00 0.00 H ATOM 1096 N GLY A 71 -9.171 -7.378 2.546 1.00 0.00 N ATOM 1097 CA GLY A 71 -8.573 -7.616 1.248 1.00 0.00 C ATOM 1098 C GLY A 71 -7.057 -7.681 1.370 1.00 0.00 C ATOM 1099 O GLY A 71 -6.479 -7.089 2.279 1.00 0.00 O ATOM 1100 H GLY A 71 -9.373 -6.425 2.815 1.00 0.00 H ATOM 1101 HA2 GLY A 71 -8.942 -8.560 0.848 1.00 0.00 H ATOM 1102 HA3 GLY A 71 -8.845 -6.807 0.571 1.00 0.00 H ATOM 1103 N SER A 72 -6.413 -8.403 0.450 1.00 0.00 N ATOM 1104 CA SER A 72 -4.970 -8.540 0.460 1.00 0.00 C ATOM 1105 C SER A 72 -4.431 -8.428 -0.960 1.00 0.00 C ATOM 1106 O SER A 72 -5.170 -8.618 -1.923 1.00 0.00 O ATOM 1107 CB SER A 72 -4.592 -9.884 1.077 1.00 0.00 C ATOM 1108 OG SER A 72 -5.738 -10.480 1.642 1.00 0.00 O ATOM 1109 H SER A 72 -6.935 -8.870 -0.277 1.00 0.00 H ATOM 1110 HA SER A 72 -4.543 -7.741 1.064 1.00 0.00 H ATOM 1111 HB2 SER A 72 -4.186 -10.537 0.304 1.00 0.00 H ATOM 1112 HB3 SER A 72 -3.842 -9.729 1.852 1.00 0.00 H ATOM 1113 HG SER A 72 -6.172 -9.833 2.204 1.00 0.00 H ATOM 1114 N TRP A 73 -3.139 -8.118 -1.087 1.00 0.00 N ATOM 1115 CA TRP A 73 -2.513 -7.986 -2.387 1.00 0.00 C ATOM 1116 C TRP A 73 -1.255 -8.841 -2.446 1.00 0.00 C ATOM 1117 O TRP A 73 -0.496 -8.901 -1.482 1.00 0.00 O ATOM 1118 CB TRP A 73 -2.181 -6.519 -2.643 1.00 0.00 C ATOM 1119 CG TRP A 73 -1.830 -6.190 -4.059 1.00 0.00 C ATOM 1120 CD1 TRP A 73 -2.237 -6.884 -5.145 1.00 0.00 C ATOM 1121 CD2 TRP A 73 -1.007 -5.098 -4.570 1.00 0.00 C ATOM 1122 NE1 TRP A 73 -1.726 -6.300 -6.284 1.00 0.00 N ATOM 1123 CE2 TRP A 73 -0.958 -5.193 -5.987 1.00 0.00 C ATOM 1124 CE3 TRP A 73 -0.296 -4.037 -3.981 1.00 0.00 C ATOM 1125 CZ2 TRP A 73 -0.244 -4.287 -6.777 1.00 0.00 C ATOM 1126 CZ3 TRP A 73 0.423 -3.122 -4.764 1.00 0.00 C ATOM 1127 CH2 TRP A 73 0.451 -3.244 -6.158 1.00 0.00 C ATOM 1128 H TRP A 73 -2.574 -7.971 -0.263 1.00 0.00 H ATOM 1129 HA TRP A 73 -3.209 -8.329 -3.151 1.00 0.00 H ATOM 1130 HB2 TRP A 73 -3.043 -5.917 -2.356 1.00 0.00 H ATOM 1131 HB3 TRP A 73 -1.339 -6.241 -2.009 1.00 0.00 H ATOM 1132 HD1 TRP A 73 -2.867 -7.762 -5.123 1.00 0.00 H ATOM 1133 HE1 TRP A 73 -1.907 -6.661 -7.210 1.00 0.00 H ATOM 1134 HE3 TRP A 73 -0.305 -3.925 -2.907 1.00 0.00 H ATOM 1135 HZ2 TRP A 73 -0.230 -4.391 -7.852 1.00 0.00 H ATOM 1136 HZ3 TRP A 73 0.960 -2.316 -4.286 1.00 0.00 H ATOM 1137 HH2 TRP A 73 1.008 -2.535 -6.754 1.00 0.00 H ATOM 1138 N ASN A 74 -1.037 -9.506 -3.583 1.00 0.00 N ATOM 1139 CA ASN A 74 0.126 -10.352 -3.761 1.00 0.00 C ATOM 1140 C ASN A 74 0.536 -10.370 -5.227 1.00 0.00 C ATOM 1141 O ASN A 74 0.347 -11.371 -5.915 1.00 0.00 O ATOM 1142 CB ASN A 74 -0.194 -11.762 -3.273 1.00 0.00 C ATOM 1143 CG ASN A 74 -1.391 -12.336 -4.017 1.00 0.00 C ATOM 1144 OD1 ASN A 74 -1.999 -11.654 -4.839 1.00 0.00 O ATOM 1145 ND2 ASN A 74 -1.728 -13.595 -3.728 1.00 0.00 N ATOM 1146 H ASN A 74 -1.692 -9.423 -4.347 1.00 0.00 H ATOM 1147 HA ASN A 74 0.949 -9.952 -3.170 1.00 0.00 H ATOM 1148 HB2 ASN A 74 0.672 -12.403 -3.437 1.00 0.00 H ATOM 1149 HB3 ASN A 74 -0.419 -11.729 -2.206 1.00 0.00 H ATOM 1150 HD21 ASN A 74 -1.196 -14.116 -3.046 1.00 0.00 H ATOM 1151 HD22 ASN A 74 -2.514 -14.026 -4.194 1.00 0.00 H ATOM 1152 N PRO A 75 1.098 -9.257 -5.704 1.00 0.00 N ATOM 1153 CA PRO A 75 1.552 -9.092 -7.068 1.00 0.00 C ATOM 1154 C PRO A 75 2.816 -9.911 -7.288 1.00 0.00 C ATOM 1155 O PRO A 75 2.747 -11.059 -7.722 1.00 0.00 O ATOM 1156 CB PRO A 75 1.836 -7.598 -7.208 1.00 0.00 C ATOM 1157 CG PRO A 75 2.244 -7.197 -5.792 1.00 0.00 C ATOM 1158 CD PRO A 75 1.335 -8.062 -4.923 1.00 0.00 C ATOM 1159 HA PRO A 75 0.783 -9.401 -7.776 1.00 0.00 H ATOM 1160 HB2 PRO A 75 2.616 -7.392 -7.940 1.00 0.00 H ATOM 1161 HB3 PRO A 75 0.913 -7.082 -7.472 1.00 0.00 H ATOM 1162 HG2 PRO A 75 3.282 -7.486 -5.624 1.00 0.00 H ATOM 1163 HG3 PRO A 75 2.105 -6.132 -5.605 1.00 0.00 H ATOM 1164 HD2 PRO A 75 1.812 -8.294 -3.970 1.00 0.00 H ATOM 1165 HD3 PRO A 75 0.386 -7.551 -4.757 1.00 0.00 H ATOM 1166 N GLY A 76 3.974 -9.317 -6.989 1.00 0.00 N ATOM 1167 CA GLY A 76 5.243 -9.997 -7.159 1.00 0.00 C ATOM 1168 C GLY A 76 6.387 -8.992 -7.134 1.00 0.00 C ATOM 1169 O GLY A 76 7.087 -8.820 -8.129 1.00 0.00 O ATOM 1170 H GLY A 76 3.978 -8.371 -6.635 1.00 0.00 H ATOM 1171 HA2 GLY A 76 5.378 -10.716 -6.351 1.00 0.00 H ATOM 1172 HA3 GLY A 76 5.246 -10.522 -8.114 1.00 0.00 H ATOM 1173 N HIS A 77 6.574 -8.327 -5.991 1.00 0.00 N ATOM 1174 CA HIS A 77 7.628 -7.344 -5.841 1.00 0.00 C ATOM 1175 C HIS A 77 7.355 -6.153 -6.749 1.00 0.00 C ATOM 1176 O HIS A 77 7.654 -6.196 -7.940 1.00 0.00 O ATOM 1177 CB HIS A 77 8.971 -7.984 -6.180 1.00 0.00 C ATOM 1178 CG HIS A 77 10.124 -7.030 -6.028 1.00 0.00 C ATOM 1179 ND1 HIS A 77 10.192 -5.753 -6.551 1.00 0.00 N ATOM 1180 CD2 HIS A 77 11.284 -7.277 -5.349 1.00 0.00 C ATOM 1181 CE1 HIS A 77 11.380 -5.231 -6.193 1.00 0.00 C ATOM 1182 NE2 HIS A 77 12.058 -6.139 -5.464 1.00 0.00 N ATOM 1183 H HIS A 77 5.969 -8.506 -5.203 1.00 0.00 H ATOM 1184 HA HIS A 77 7.650 -7.003 -4.806 1.00 0.00 H ATOM 1185 HB2 HIS A 77 9.131 -8.836 -5.519 1.00 0.00 H ATOM 1186 HB3 HIS A 77 8.942 -8.338 -7.211 1.00 0.00 H ATOM 1187 HD1 HIS A 77 9.480 -5.294 -7.101 1.00 0.00 H ATOM 1188 HD2 HIS A 77 11.545 -8.185 -4.825 1.00 0.00 H ATOM 1189 HE1 HIS A 77 11.733 -4.243 -6.449 1.00 0.00 H ATOM 1190 HE2 HIS A 77 12.978 -6.008 -5.068 1.00 0.00 H ATOM 1191 N ILE A 78 6.785 -5.086 -6.182 1.00 0.00 N ATOM 1192 CA ILE A 78 6.476 -3.890 -6.939 1.00 0.00 C ATOM 1193 C ILE A 78 7.644 -2.916 -6.862 1.00 0.00 C ATOM 1194 O ILE A 78 8.361 -2.882 -5.864 1.00 0.00 O ATOM 1195 CB ILE A 78 5.203 -3.254 -6.387 1.00 0.00 C ATOM 1196 CG1 ILE A 78 4.075 -4.281 -6.397 1.00 0.00 C ATOM 1197 CG2 ILE A 78 4.814 -2.061 -7.255 1.00 0.00 C ATOM 1198 CD1 ILE A 78 3.302 -4.174 -7.709 1.00 0.00 C ATOM 1199 H ILE A 78 6.559 -5.103 -5.198 1.00 0.00 H ATOM 1200 HA ILE A 78 6.312 -4.162 -7.981 1.00 0.00 H ATOM 1201 HB ILE A 78 5.379 -2.918 -5.365 1.00 0.00 H ATOM 1202 HG12 ILE A 78 4.494 -5.283 -6.304 1.00 0.00 H ATOM 1203 HG13 ILE A 78 3.401 -4.089 -5.562 1.00 0.00 H ATOM 1204 HG21 ILE A 78 5.243 -1.151 -6.836 1.00 0.00 H ATOM 1205 HG22 ILE A 78 5.192 -2.208 -8.266 1.00 0.00 H ATOM 1206 HG23 ILE A 78 3.728 -1.971 -7.283 1.00 0.00 H ATOM 1207 HD11 ILE A 78 3.942 -3.734 -8.473 1.00 0.00 H ATOM 1208 HD12 ILE A 78 2.986 -5.168 -8.027 1.00 0.00 H ATOM 1209 HD13 ILE A 78 2.425 -3.543 -7.563 1.00 0.00 H ATOM 1210 N HIS A 79 7.834 -2.123 -7.919 1.00 0.00 N ATOM 1211 CA HIS A 79 8.911 -1.155 -7.966 1.00 0.00 C ATOM 1212 C HIS A 79 8.956 -0.369 -6.664 1.00 0.00 C ATOM 1213 O HIS A 79 9.790 -0.639 -5.802 1.00 0.00 O ATOM 1214 CB HIS A 79 8.703 -0.221 -9.155 1.00 0.00 C ATOM 1215 CG HIS A 79 9.531 1.030 -9.062 1.00 0.00 C ATOM 1216 ND1 HIS A 79 10.877 1.090 -8.752 1.00 0.00 N ATOM 1217 CD2 HIS A 79 9.083 2.305 -9.269 1.00 0.00 C ATOM 1218 CE1 HIS A 79 11.240 2.385 -8.771 1.00 0.00 C ATOM 1219 NE2 HIS A 79 10.168 3.139 -9.082 1.00 0.00 N ATOM 1220 H HIS A 79 7.215 -2.191 -8.714 1.00 0.00 H ATOM 1221 HA HIS A 79 9.857 -1.684 -8.093 1.00 0.00 H ATOM 1222 HB2 HIS A 79 8.969 -0.751 -10.069 1.00 0.00 H ATOM 1223 HB3 HIS A 79 7.650 0.057 -9.202 1.00 0.00 H ATOM 1224 HD1 HIS A 79 11.478 0.304 -8.549 1.00 0.00 H ATOM 1225 HD2 HIS A 79 8.077 2.602 -9.528 1.00 0.00 H ATOM 1226 HE1 HIS A 79 12.233 2.760 -8.569 1.00 0.00 H ATOM 1227 HE2 HIS A 79 10.159 4.146 -9.165 1.00 0.00 H ATOM 1228 N GLU A 80 8.056 0.607 -6.521 1.00 0.00 N ATOM 1229 CA GLU A 80 7.999 1.422 -5.325 1.00 0.00 C ATOM 1230 C GLU A 80 6.635 2.087 -5.213 1.00 0.00 C ATOM 1231 O GLU A 80 6.004 2.390 -6.223 1.00 0.00 O ATOM 1232 CB GLU A 80 9.108 2.469 -5.372 1.00 0.00 C ATOM 1233 CG GLU A 80 9.114 3.264 -4.069 1.00 0.00 C ATOM 1234 CD GLU A 80 9.283 4.752 -4.341 1.00 0.00 C ATOM 1235 OE1 GLU A 80 9.028 5.150 -5.498 1.00 0.00 O ATOM 1236 OE2 GLU A 80 9.666 5.463 -3.387 1.00 0.00 O ATOM 1237 H GLU A 80 7.391 0.789 -7.259 1.00 0.00 H ATOM 1238 HA GLU A 80 8.153 0.784 -4.454 1.00 0.00 H ATOM 1239 HB2 GLU A 80 10.071 1.974 -5.499 1.00 0.00 H ATOM 1240 HB3 GLU A 80 8.935 3.145 -6.209 1.00 0.00 H ATOM 1241 HG2 GLU A 80 8.171 3.101 -3.546 1.00 0.00 H ATOM 1242 HG3 GLU A 80 9.936 2.919 -3.442 1.00 0.00 H ATOM 1243 N ILE A 81 6.179 2.313 -3.978 1.00 0.00 N ATOM 1244 CA ILE A 81 4.896 2.941 -3.738 1.00 0.00 C ATOM 1245 C ILE A 81 5.026 4.451 -3.883 1.00 0.00 C ATOM 1246 O ILE A 81 6.002 5.039 -3.422 1.00 0.00 O ATOM 1247 CB ILE A 81 4.403 2.572 -2.341 1.00 0.00 C ATOM 1248 CG1 ILE A 81 4.070 1.083 -2.296 1.00 0.00 C ATOM 1249 CG2 ILE A 81 3.153 3.383 -2.012 1.00 0.00 C ATOM 1250 CD1 ILE A 81 2.853 0.807 -3.175 1.00 0.00 C ATOM 1251 H ILE A 81 6.738 2.044 -3.181 1.00 0.00 H ATOM 1252 HA ILE A 81 4.179 2.576 -4.473 1.00 0.00 H ATOM 1253 HB ILE A 81 5.182 2.792 -1.611 1.00 0.00 H ATOM 1254 HG12 ILE A 81 4.921 0.509 -2.663 1.00 0.00 H ATOM 1255 HG13 ILE A 81 3.850 0.791 -1.269 1.00 0.00 H ATOM 1256 HG21 ILE A 81 3.373 4.446 -2.111 1.00 0.00 H ATOM 1257 HG22 ILE A 81 2.353 3.112 -2.701 1.00 0.00 H ATOM 1258 HG23 ILE A 81 2.840 3.170 -0.990 1.00 0.00 H ATOM 1259 HD11 ILE A 81 2.580 1.715 -3.713 1.00 0.00 H ATOM 1260 HD12 ILE A 81 3.093 0.019 -3.889 1.00 0.00 H ATOM 1261 HD13 ILE A 81 2.018 0.490 -2.550 1.00 0.00 H ATOM 1262 N LEU A 82 4.038 5.079 -4.525 1.00 0.00 N ATOM 1263 CA LEU A 82 4.048 6.514 -4.727 1.00 0.00 C ATOM 1264 C LEU A 82 3.379 7.206 -3.548 1.00 0.00 C ATOM 1265 O LEU A 82 4.016 7.977 -2.835 1.00 0.00 O ATOM 1266 CB LEU A 82 3.327 6.848 -6.030 1.00 0.00 C ATOM 1267 CG LEU A 82 3.911 6.012 -7.164 1.00 0.00 C ATOM 1268 CD1 LEU A 82 3.479 6.598 -8.505 1.00 0.00 C ATOM 1269 CD2 LEU A 82 5.435 6.023 -7.071 1.00 0.00 C ATOM 1270 H LEU A 82 3.258 4.549 -4.885 1.00 0.00 H ATOM 1271 HA LEU A 82 5.081 6.855 -4.798 1.00 0.00 H ATOM 1272 HB2 LEU A 82 2.265 6.626 -5.925 1.00 0.00 H ATOM 1273 HB3 LEU A 82 3.456 7.907 -6.255 1.00 0.00 H ATOM 1274 HG LEU A 82 3.550 4.986 -7.083 1.00 0.00 H ATOM 1275 HD11 LEU A 82 4.346 6.689 -9.159 1.00 0.00 H ATOM 1276 HD12 LEU A 82 2.742 5.941 -8.968 1.00 0.00 H ATOM 1277 HD13 LEU A 82 3.039 7.583 -8.346 1.00 0.00 H ATOM 1278 HD21 LEU A 82 5.860 6.008 -8.075 1.00 0.00 H ATOM 1279 HD22 LEU A 82 5.761 6.924 -6.552 1.00 0.00 H ATOM 1280 HD23 LEU A 82 5.771 5.144 -6.521 1.00 0.00 H ATOM 1281 N SER A 83 2.089 6.928 -3.344 1.00 0.00 N ATOM 1282 CA SER A 83 1.343 7.523 -2.254 1.00 0.00 C ATOM 1283 C SER A 83 0.321 6.527 -1.723 1.00 0.00 C ATOM 1284 O SER A 83 0.105 5.476 -2.323 1.00 0.00 O ATOM 1285 CB SER A 83 0.656 8.794 -2.743 1.00 0.00 C ATOM 1286 OG SER A 83 0.259 9.570 -1.634 1.00 0.00 O ATOM 1287 H SER A 83 1.610 6.286 -3.960 1.00 0.00 H ATOM 1288 HA SER A 83 2.034 7.781 -1.451 1.00 0.00 H ATOM 1289 HB2 SER A 83 1.349 9.368 -3.358 1.00 0.00 H ATOM 1290 HB3 SER A 83 -0.221 8.529 -3.333 1.00 0.00 H ATOM 1291 HG SER A 83 0.957 10.197 -1.436 1.00 0.00 H ATOM 1292 N ILE A 84 -0.309 6.861 -0.595 1.00 0.00 N ATOM 1293 CA ILE A 84 -1.305 6.000 0.011 1.00 0.00 C ATOM 1294 C ILE A 84 -2.524 6.822 0.407 1.00 0.00 C ATOM 1295 O ILE A 84 -2.396 7.832 1.096 1.00 0.00 O ATOM 1296 CB ILE A 84 -0.703 5.303 1.227 1.00 0.00 C ATOM 1297 CG1 ILE A 84 0.203 4.165 0.765 1.00 0.00 C ATOM 1298 CG2 ILE A 84 -1.823 4.739 2.097 1.00 0.00 C ATOM 1299 CD1 ILE A 84 0.847 3.502 1.980 1.00 0.00 C ATOM 1300 H ILE A 84 -0.094 7.737 -0.141 1.00 0.00 H ATOM 1301 HA ILE A 84 -1.609 5.245 -0.715 1.00 0.00 H ATOM 1302 HB ILE A 84 -0.120 6.020 1.805 1.00 0.00 H ATOM 1303 HG12 ILE A 84 -0.387 3.429 0.220 1.00 0.00 H ATOM 1304 HG13 ILE A 84 0.981 4.562 0.113 1.00 0.00 H ATOM 1305 HG21 ILE A 84 -2.539 5.529 2.323 1.00 0.00 H ATOM 1306 HG22 ILE A 84 -2.328 3.934 1.563 1.00 0.00 H ATOM 1307 HG23 ILE A 84 -1.403 4.352 3.025 1.00 0.00 H ATOM 1308 HD11 ILE A 84 1.330 4.261 2.595 1.00 0.00 H ATOM 1309 HD12 ILE A 84 0.080 2.994 2.565 1.00 0.00 H ATOM 1310 HD13 ILE A 84 1.590 2.777 1.647 1.00 0.00 H ATOM 1311 N ARG A 85 -3.708 6.387 -0.029 1.00 0.00 N ATOM 1312 CA ARG A 85 -4.940 7.083 0.280 1.00 0.00 C ATOM 1313 C ARG A 85 -5.870 6.164 1.060 1.00 0.00 C ATOM 1314 O ARG A 85 -6.103 5.027 0.656 1.00 0.00 O ATOM 1315 CB ARG A 85 -5.600 7.547 -1.015 1.00 0.00 C ATOM 1316 CG ARG A 85 -7.015 8.037 -0.718 1.00 0.00 C ATOM 1317 CD ARG A 85 -7.705 8.422 -2.023 1.00 0.00 C ATOM 1318 NE ARG A 85 -8.690 9.480 -1.804 1.00 0.00 N ATOM 1319 CZ ARG A 85 -9.096 10.307 -2.777 1.00 0.00 C ATOM 1320 NH1 ARG A 85 -8.596 10.183 -4.014 1.00 0.00 N ATOM 1321 NH2 ARG A 85 -10.002 11.259 -2.514 1.00 0.00 N ATOM 1322 H ARG A 85 -3.758 5.550 -0.593 1.00 0.00 H ATOM 1323 HA ARG A 85 -4.710 7.955 0.893 1.00 0.00 H ATOM 1324 HB2 ARG A 85 -5.017 8.360 -1.449 1.00 0.00 H ATOM 1325 HB3 ARG A 85 -5.644 6.716 -1.718 1.00 0.00 H ATOM 1326 HG2 ARG A 85 -7.579 7.243 -0.229 1.00 0.00 H ATOM 1327 HG3 ARG A 85 -6.968 8.906 -0.061 1.00 0.00 H ATOM 1328 HD2 ARG A 85 -6.956 8.772 -2.734 1.00 0.00 H ATOM 1329 HD3 ARG A 85 -8.206 7.546 -2.434 1.00 0.00 H ATOM 1330 HE ARG A 85 -9.074 9.582 -0.875 1.00 0.00 H ATOM 1331 HH11 ARG A 85 -7.914 9.465 -4.213 1.00 0.00 H ATOM 1332 HH12 ARG A 85 -8.902 10.806 -4.748 1.00 0.00 H ATOM 1333 HH21 ARG A 85 -10.379 11.353 -1.582 1.00 0.00 H ATOM 1334 HH22 ARG A 85 -10.307 11.882 -3.248 1.00 0.00 H ATOM 1335 N ILE A 86 -6.401 6.659 2.180 1.00 0.00 N ATOM 1336 CA ILE A 86 -7.303 5.885 3.009 1.00 0.00 C ATOM 1337 C ILE A 86 -8.685 6.522 3.001 1.00 0.00 C ATOM 1338 O ILE A 86 -8.810 7.739 3.121 1.00 0.00 O ATOM 1339 CB ILE A 86 -6.749 5.809 4.429 1.00 0.00 C ATOM 1340 CG1 ILE A 86 -5.302 5.328 4.386 1.00 0.00 C ATOM 1341 CG2 ILE A 86 -7.586 4.833 5.249 1.00 0.00 C ATOM 1342 CD1 ILE A 86 -4.759 5.221 5.808 1.00 0.00 C ATOM 1343 H ILE A 86 -6.176 7.601 2.467 1.00 0.00 H ATOM 1344 HA ILE A 86 -7.377 4.875 2.604 1.00 0.00 H ATOM 1345 HB ILE A 86 -6.790 6.797 4.887 1.00 0.00 H ATOM 1346 HG12 ILE A 86 -5.258 4.350 3.906 1.00 0.00 H ATOM 1347 HG13 ILE A 86 -4.699 6.038 3.820 1.00 0.00 H ATOM 1348 HG21 ILE A 86 -7.933 5.326 6.158 1.00 0.00 H ATOM 1349 HG22 ILE A 86 -8.445 4.508 4.662 1.00 0.00 H ATOM 1350 HG23 ILE A 86 -6.979 3.967 5.515 1.00 0.00 H ATOM 1351 HD11 ILE A 86 -4.097 4.358 5.881 1.00 0.00 H ATOM 1352 HD12 ILE A 86 -4.205 6.126 6.055 1.00 0.00 H ATOM 1353 HD13 ILE A 86 -5.588 5.101 6.505 1.00 0.00 H ATOM 1354 N TYR A 87 -9.725 5.697 2.859 1.00 0.00 N ATOM 1355 CA TYR A 87 -11.089 6.185 2.835 1.00 0.00 C ATOM 1356 C TYR A 87 -11.609 6.335 4.258 1.00 0.00 C ATOM 1357 O TYR A 87 -12.751 6.738 4.464 1.00 0.00 O ATOM 1358 CB TYR A 87 -11.960 5.217 2.040 1.00 0.00 C ATOM 1359 CG TYR A 87 -11.700 5.254 0.553 1.00 0.00 C ATOM 1360 CD1 TYR A 87 -10.418 4.981 0.060 1.00 0.00 C ATOM 1361 CD2 TYR A 87 -12.740 5.562 -0.333 1.00 0.00 C ATOM 1362 CE1 TYR A 87 -10.177 5.016 -1.319 1.00 0.00 C ATOM 1363 CE2 TYR A 87 -12.498 5.596 -1.711 1.00 0.00 C ATOM 1364 CZ TYR A 87 -11.217 5.324 -2.204 1.00 0.00 C ATOM 1365 OH TYR A 87 -10.982 5.358 -3.548 1.00 0.00 O ATOM 1366 H TYR A 87 -9.568 4.703 2.764 1.00 0.00 H ATOM 1367 HA TYR A 87 -11.107 7.160 2.348 1.00 0.00 H ATOM 1368 HB2 TYR A 87 -11.775 4.205 2.400 1.00 0.00 H ATOM 1369 HB3 TYR A 87 -13.007 5.465 2.216 1.00 0.00 H ATOM 1370 HD1 TYR A 87 -9.616 4.743 0.742 1.00 0.00 H ATOM 1371 HD2 TYR A 87 -13.728 5.772 0.048 1.00 0.00 H ATOM 1372 HE1 TYR A 87 -9.188 4.805 -1.700 1.00 0.00 H ATOM 1373 HE2 TYR A 87 -13.300 5.834 -2.394 1.00 0.00 H ATOM 1374 HH TYR A 87 -10.093 5.080 -3.780 1.00 0.00 H TER 1375 TYR A 87 CONECT 106 381 CONECT 381 106 MASTER 125 0 0 0 9 0 0 6 1374 1 2 7 END