HEADER ELECTRON TRANSPORT 11-DEC-98 1B3I TITLE NMR SOLUTION STRUCTURE OF PLASTOCYANIN FROM THE TITLE 2 PHOTOSYNTHETIC PROKARYOTE, PROCHLOROTHRIX HOLLANDICA TITLE 3 (MINIMIZED AVERAGE STRUCTURE) COMPND MOL_ID: 1; COMPND 2 MOLECULE: PROTEIN (PLASTOCYANIN); COMPND 3 CHAIN: A; COMPND 4 SYNONYM: PETE PROTEIN; COMPND 5 EC: 1.10.99.1; COMPND 6 ENGINEERED: YES; COMPND 7 MUTATION: YES; COMPND 8 OTHER_DETAILS: T2S MUTATION INTRODUCED TO CLONE IN COMPND 9 EXPRESSION VECTOR SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: PROCHLOROTHRIX HOLLANDICA; SOURCE 3 ORGANISM_TAXID: 1223; SOURCE 4 CELLULAR_LOCATION: THYLAKOID LUMEN; SOURCE 5 GENE: PETE; SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 7 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 8 EXPRESSION_SYSTEM_STRAIN: BL21(DE3)PLYSS; SOURCE 9 EXPRESSION_SYSTEM_CELLULAR_LOCATION: CYTOPLASM - INCLUSION SOURCE 10 BODIES; SOURCE 11 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 12 EXPRESSION_SYSTEM_VECTOR: PSCREEN; SOURCE 13 EXPRESSION_SYSTEM_PLASMID: PVAPC10; SOURCE 14 EXPRESSION_SYSTEM_GENE: PETE; SOURCE 15 OTHER_DETAILS: INCLUSION BODIES WERE REFOLDED IN-VITRO KEYWDS ELECTRON TRANSPORT, TYPE I COPPER PROTEIN, PHOTOSYNTHESIS EXPDTA SOLUTION NMR AUTHOR C.R.BABU,B.F.VOLKMAN,G.S.BULLERJAHN REVDAT 3 24-FEB-09 1B3I 1 VERSN REVDAT 2 18-MAY-00 1B3I 1 COMPND REMARK HET HETNAM REVDAT 2 2 1 LINK CISPEP REVDAT 1 27-APR-99 1B3I 0 JRNL AUTH C.R.BABU,B.F.VOLKMAN,G.S.BULLERJAHN JRNL TITL NMR SOLUTION STRUCTURE OF PLASTOCYANIN FROM THE JRNL TITL 2 PHOTOSYNTHETIC PROKARYOTE, PROCHLOROTHRIX JRNL TITL 3 HOLLANDICA. JRNL REF BIOCHEMISTRY V. 38 4988 1999 JRNL REFN ISSN 0006-2960 JRNL PMID 10213601 JRNL DOI 10.1021/BI983024F REMARK 1 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : DYANA REMARK 3 AUTHORS : P.GUNTERT, C.MUMENTHALER, K.WUTHRICH REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: REFINEMENT DETAILS ARE IN THE REMARK 3 SUBMITTED FILE AND IN THE JRNL CITATION ABOVE. THE RESTRAINTS REMARK 3 ARE IN THE FILES WITH THE 19 CONFORMERS. REMARK 4 REMARK 4 1B3I COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 14-DEC-98. REMARK 100 THE RCSB ID CODE IS RCSB000246. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 298 REMARK 210 PH : 7.0 REMARK 210 IONIC STRENGTH : 20MM POTASSIUM PHOSPHATE REMARK 210 PRESSURE : 1 ATM REMARK 210 SAMPLE CONTENTS : 90% WATER/10% D2O REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : NOESY, TOCSY, DQF-COSY REMARK 210 SPECTROMETER FIELD STRENGTH : 750 MHZ REMARK 210 SPECTROMETER MODEL : DMX750 REMARK 210 SPECTROMETER MANUFACTURER : BRUKER REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : DYANA 1.5, FELIX REMARK 210 METHOD USED : TORSION ANGLE DYNAMICS REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 40 REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1 REMARK 210 CONFORMERS, SELECTION CRITERIA : LOWEST TARGET FUNCTION REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : NULL REMARK 210 REMARK 210 REMARK: MINIMIZED AVERAGE STRUCTURE. THE STRUCTURE WAS REMARK 210 DETERMINED USING TWO- DIMENCIONAL NMR SPECTROSCOPY. WATER REMARK 210 SUPPRESSION WAS ACHIEVED WITH A WATERGATE SEQ. WITH A 3-9-19 REMARK 210 SELECTIVE INVERSION. 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: TORSION ANGLES REMARK 500 REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) REMARK 500 REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 REMARK 500 REMARK 500 M RES CSSEQI PSI PHI REMARK 500 LYS A 11 39.68 -90.62 REMARK 500 TYR A 12 29.67 38.26 REMARK 500 ALA A 25 105.43 -58.14 REMARK 500 LYS A 35 -167.52 -168.89 REMARK 500 PRO A 38 -168.90 -74.97 REMARK 500 ASN A 40 166.99 173.98 REMARK 500 PHE A 43 160.64 -47.67 REMARK 500 LYS A 45 143.56 167.31 REMARK 500 ALA A 54 -45.67 -157.32 REMARK 500 LEU A 60 102.47 -40.42 REMARK 500 SER A 66 97.36 -178.70 REMARK 500 PHE A 67 -86.71 -38.19 REMARK 500 REMARK 500 REMARK: NULL REMARK 620 REMARK 620 METAL COORDINATION REMARK 620 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 620 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE): REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 CU1 A 110 CU REMARK 620 N RES CSSEQI ATOM REMARK 620 1 HIS A 39 ND1 REMARK 620 2 HIS A 85 ND1 117.6 REMARK 620 3 CYS A 82 SG 112.5 107.9 REMARK 620 4 MET A 90 SD 106.8 106.5 104.6 REMARK 620 N 1 2 3 REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: CU REMARK 800 EVIDENCE_CODE: AUTHOR REMARK 800 SITE_DESCRIPTION: COPPER BINDING SITE REMARK 800 SITE_IDENTIFIER: AC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CU1 A 110 REMARK 999 REMARK 999 SEQUENCE REMARK 999 T2S - INTRODUCED TO CLONE, R61A - MISTAKE IN GB ENTRY DBREF 1B3I A 1 97 UNP P50057 PLAS_PROHO 35 131 SEQADV 1B3I SER A 2 UNP P50057 THR 36 SEE REMARK 999 SEQADV 1B3I ALA A 61 UNP P50057 ARG 95 SEE REMARK 999 SEQRES 1 A 97 ALA SER VAL GLN ILE LYS MET GLY THR ASP LYS TYR ALA SEQRES 2 A 97 PRO LEU TYR GLU PRO LYS ALA LEU SER ILE SER ALA GLY SEQRES 3 A 97 ASP THR VAL GLU PHE VAL MET ASN LYS VAL GLY PRO HIS SEQRES 4 A 97 ASN VAL ILE PHE ASP LYS VAL PRO ALA GLY GLU SER ALA SEQRES 5 A 97 PRO ALA LEU SER ASN THR LYS LEU ALA ILE ALA PRO GLY SEQRES 6 A 97 SER PHE TYR SER VAL THR LEU GLY THR PRO GLY THR TYR SEQRES 7 A 97 SER PHE TYR CYS THR PRO HIS ARG GLY ALA GLY MET VAL SEQRES 8 A 97 GLY THR ILE THR VAL GLU HET CU1 A 110 1 HETNAM CU1 COPPER (I) ION FORMUL 2 CU1 CU 1+ HELIX 1 1 ALA A 52 LEU A 55 1 4 SHEET 1 A 3 VAL A 3 MET A 7 0 SHEET 2 A 3 THR A 28 MET A 33 1 N GLU A 30 O VAL A 3 SHEET 3 A 3 TYR A 68 THR A 71 -1 N VAL A 70 O VAL A 29 SHEET 1 B 4 ALA A 20 ILE A 23 0 SHEET 2 B 4 VAL A 91 VAL A 96 1 N THR A 93 O LEU A 21 SHEET 3 B 4 THR A 77 TYR A 81 -1 N PHE A 80 O GLY A 92 SHEET 4 B 4 ILE A 42 LYS A 45 -1 N LYS A 45 O SER A 79 LINK ND1 HIS A 39 CU CU1 A 110 1555 1555 1.98 LINK ND1 HIS A 85 CU CU1 A 110 1555 1555 2.00 LINK CU CU1 A 110 SG CYS A 82 1555 1555 2.35 LINK CU CU1 A 110 SD MET A 90 1555 1555 2.95 CISPEP 1 GLU A 17 PRO A 18 0 0.09 CISPEP 2 GLY A 37 PRO A 38 0 -0.06 SITE 1 CU 4 HIS A 39 CYS A 82 HIS A 85 MET A 90 SITE 1 AC1 4 HIS A 39 CYS A 82 HIS A 85 MET A 90 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 ALA A 1 13.713 -1.614 8.440 1.00 0.00 N ATOM 2 CA ALA A 1 14.461 -1.614 7.195 1.00 0.00 C ATOM 3 C ALA A 1 13.514 -1.296 6.036 1.00 0.00 C ATOM 4 O ALA A 1 12.298 -1.412 6.174 1.00 0.00 O ATOM 5 CB ALA A 1 15.163 -2.962 7.021 1.00 0.00 C ATOM 6 H1 ALA A 1 14.272 -1.614 9.269 1.00 0.00 H ATOM 7 HA ALA A 1 15.217 -0.831 7.261 1.00 0.00 H ATOM 8 HB1 ALA A 1 16.182 -2.894 7.403 1.00 0.00 H ATOM 9 HB2 ALA A 1 14.619 -3.729 7.572 1.00 0.00 H ATOM 10 HB3 ALA A 1 15.189 -3.225 5.963 1.00 0.00 H ATOM 11 N SER A 2 14.109 -0.901 4.919 1.00 0.00 N ATOM 12 CA SER A 2 13.333 -0.566 3.737 1.00 0.00 C ATOM 13 C SER A 2 12.472 -1.759 3.320 1.00 0.00 C ATOM 14 O SER A 2 12.981 -2.865 3.143 1.00 0.00 O ATOM 15 CB SER A 2 14.244 -0.140 2.584 1.00 0.00 C ATOM 16 OG SER A 2 15.117 0.923 2.957 1.00 0.00 O ATOM 17 H SER A 2 15.099 -0.808 4.815 1.00 0.00 H ATOM 18 HA SER A 2 12.705 0.275 4.032 1.00 0.00 H ATOM 19 HB2 SER A 2 14.834 -0.995 2.253 1.00 0.00 H ATOM 20 HB3 SER A 2 13.634 0.173 1.736 1.00 0.00 H ATOM 21 HG SER A 2 14.717 1.446 3.710 1.00 0.00 H ATOM 22 N VAL A 3 11.182 -1.496 3.175 1.00 0.00 N ATOM 23 CA VAL A 3 10.245 -2.535 2.783 1.00 0.00 C ATOM 24 C VAL A 3 9.527 -2.110 1.500 1.00 0.00 C ATOM 25 O VAL A 3 9.747 -1.009 0.997 1.00 0.00 O ATOM 26 CB VAL A 3 9.284 -2.835 3.935 1.00 0.00 C ATOM 27 CG1 VAL A 3 9.975 -3.654 5.026 1.00 0.00 C ATOM 28 CG2 VAL A 3 8.694 -1.544 4.507 1.00 0.00 C ATOM 29 H VAL A 3 10.776 -0.594 3.321 1.00 0.00 H ATOM 30 HA VAL A 3 10.821 -3.437 2.580 1.00 0.00 H ATOM 31 HB VAL A 3 8.462 -3.431 3.538 1.00 0.00 H ATOM 32 HG11 VAL A 3 10.961 -3.235 5.225 1.00 0.00 H ATOM 33 HG12 VAL A 3 9.376 -3.623 5.937 1.00 0.00 H ATOM 34 HG13 VAL A 3 10.079 -4.687 4.695 1.00 0.00 H ATOM 35 HG21 VAL A 3 8.109 -1.775 5.397 1.00 0.00 H ATOM 36 HG22 VAL A 3 9.502 -0.862 4.771 1.00 0.00 H ATOM 37 HG23 VAL A 3 8.052 -1.076 3.762 1.00 0.00 H ATOM 38 N GLN A 4 8.684 -3.006 1.007 1.00 0.00 N ATOM 39 CA GLN A 4 7.933 -2.738 -0.207 1.00 0.00 C ATOM 40 C GLN A 4 6.526 -3.328 -0.102 1.00 0.00 C ATOM 41 O GLN A 4 6.317 -4.327 0.586 1.00 0.00 O ATOM 42 CB GLN A 4 8.665 -3.280 -1.436 1.00 0.00 C ATOM 43 CG GLN A 4 9.372 -4.599 -1.115 1.00 0.00 C ATOM 44 CD GLN A 4 10.257 -5.044 -2.280 1.00 0.00 C ATOM 45 OE1 GLN A 4 10.414 -4.353 -3.274 1.00 0.00 O ATOM 46 NE2 GLN A 4 10.826 -6.234 -2.104 1.00 0.00 N ATOM 47 H GLN A 4 8.512 -3.899 1.423 1.00 0.00 H ATOM 48 HA GLN A 4 7.874 -1.651 -0.277 1.00 0.00 H ATOM 49 HB2 GLN A 4 7.955 -3.433 -2.249 1.00 0.00 H ATOM 50 HB3 GLN A 4 9.394 -2.548 -1.782 1.00 0.00 H ATOM 51 HG2 GLN A 4 9.978 -4.481 -0.217 1.00 0.00 H ATOM 52 HG3 GLN A 4 8.631 -5.370 -0.901 1.00 0.00 H ATOM 53 HE21 GLN A 4 10.655 -6.750 -1.265 1.00 0.00 H ATOM 54 HE22 GLN A 4 11.423 -6.612 -2.811 1.00 0.00 H ATOM 55 N ILE A 5 5.596 -2.687 -0.794 1.00 0.00 N ATOM 56 CA ILE A 5 4.214 -3.136 -0.787 1.00 0.00 C ATOM 57 C ILE A 5 3.823 -3.590 -2.195 1.00 0.00 C ATOM 58 O ILE A 5 3.732 -2.774 -3.111 1.00 0.00 O ATOM 59 CB ILE A 5 3.300 -2.051 -0.214 1.00 0.00 C ATOM 60 CG1 ILE A 5 3.360 -2.034 1.315 1.00 0.00 C ATOM 61 CG2 ILE A 5 1.869 -2.210 -0.730 1.00 0.00 C ATOM 62 CD1 ILE A 5 2.787 -3.326 1.900 1.00 0.00 C ATOM 63 H ILE A 5 5.773 -1.875 -1.351 1.00 0.00 H ATOM 64 HA ILE A 5 4.153 -3.994 -0.118 1.00 0.00 H ATOM 65 HB ILE A 5 3.661 -1.082 -0.561 1.00 0.00 H ATOM 66 HG12 ILE A 5 4.393 -1.909 1.640 1.00 0.00 H ATOM 67 HG13 ILE A 5 2.801 -1.179 1.695 1.00 0.00 H ATOM 68 HG21 ILE A 5 1.564 -3.253 -0.639 1.00 0.00 H ATOM 69 HG22 ILE A 5 1.199 -1.583 -0.142 1.00 0.00 H ATOM 70 HG23 ILE A 5 1.824 -1.908 -1.777 1.00 0.00 H ATOM 71 HD11 ILE A 5 1.875 -3.101 2.453 1.00 0.00 H ATOM 72 HD12 ILE A 5 2.560 -4.021 1.092 1.00 0.00 H ATOM 73 HD13 ILE A 5 3.518 -3.776 2.572 1.00 0.00 H ATOM 74 N LYS A 6 3.601 -4.889 -2.323 1.00 0.00 N ATOM 75 CA LYS A 6 3.221 -5.461 -3.603 1.00 0.00 C ATOM 76 C LYS A 6 1.695 -5.517 -3.700 1.00 0.00 C ATOM 77 O LYS A 6 1.025 -5.948 -2.763 1.00 0.00 O ATOM 78 CB LYS A 6 3.900 -6.817 -3.807 1.00 0.00 C ATOM 79 CG LYS A 6 5.108 -6.692 -4.738 1.00 0.00 C ATOM 80 CD LYS A 6 5.852 -8.023 -4.854 1.00 0.00 C ATOM 81 CE LYS A 6 7.071 -7.893 -5.769 1.00 0.00 C ATOM 82 NZ LYS A 6 8.148 -8.808 -5.331 1.00 0.00 N ATOM 83 H LYS A 6 3.676 -5.546 -1.572 1.00 0.00 H ATOM 84 HA LYS A 6 3.593 -4.795 -4.382 1.00 0.00 H ATOM 85 HB2 LYS A 6 4.218 -7.218 -2.844 1.00 0.00 H ATOM 86 HB3 LYS A 6 3.186 -7.526 -4.226 1.00 0.00 H ATOM 87 HG2 LYS A 6 4.778 -6.368 -5.725 1.00 0.00 H ATOM 88 HG3 LYS A 6 5.784 -5.925 -4.360 1.00 0.00 H ATOM 89 HD2 LYS A 6 6.168 -8.354 -3.865 1.00 0.00 H ATOM 90 HD3 LYS A 6 5.179 -8.787 -5.245 1.00 0.00 H ATOM 91 HE2 LYS A 6 6.788 -8.120 -6.797 1.00 0.00 H ATOM 92 HE3 LYS A 6 7.432 -6.864 -5.758 1.00 0.00 H ATOM 93 HZ1 LYS A 6 8.946 -8.690 -5.921 1.00 0.00 H ATOM 94 HZ2 LYS A 6 8.399 -8.599 -4.385 1.00 0.00 H ATOM 95 HZ3 LYS A 6 7.827 -9.753 -5.389 1.00 0.00 H ATOM 96 N MET A 7 1.190 -5.075 -4.842 1.00 0.00 N ATOM 97 CA MET A 7 -0.244 -5.068 -5.074 1.00 0.00 C ATOM 98 C MET A 7 -0.649 -6.185 -6.039 1.00 0.00 C ATOM 99 O MET A 7 -0.555 -6.024 -7.254 1.00 0.00 O ATOM 100 CB MET A 7 -0.663 -3.716 -5.654 1.00 0.00 C ATOM 101 CG MET A 7 -0.429 -2.590 -4.644 1.00 0.00 C ATOM 102 SD MET A 7 0.915 -1.550 -5.189 1.00 0.00 S ATOM 103 CE MET A 7 0.020 -0.047 -5.542 1.00 0.00 C ATOM 104 H MET A 7 1.742 -4.726 -5.600 1.00 0.00 H ATOM 105 HA MET A 7 -0.699 -5.240 -4.098 1.00 0.00 H ATOM 106 HB2 MET A 7 -0.097 -3.516 -6.564 1.00 0.00 H ATOM 107 HB3 MET A 7 -1.716 -3.746 -5.933 1.00 0.00 H ATOM 108 HG2 MET A 7 -1.336 -1.997 -4.531 1.00 0.00 H ATOM 109 HG3 MET A 7 -0.200 -3.011 -3.664 1.00 0.00 H ATOM 110 HE1 MET A 7 0.662 0.636 -6.099 1.00 0.00 H ATOM 111 HE2 MET A 7 -0.863 -0.281 -6.136 1.00 0.00 H ATOM 112 HE3 MET A 7 -0.285 0.423 -4.607 1.00 0.00 H ATOM 113 N GLY A 8 -1.090 -7.292 -5.460 1.00 0.00 N ATOM 114 CA GLY A 8 -1.509 -8.435 -6.254 1.00 0.00 C ATOM 115 C GLY A 8 -0.636 -9.656 -5.960 1.00 0.00 C ATOM 116 O GLY A 8 0.563 -9.524 -5.719 1.00 0.00 O ATOM 117 H GLY A 8 -1.164 -7.415 -4.471 1.00 0.00 H ATOM 118 HA2 GLY A 8 -2.552 -8.669 -6.039 1.00 0.00 H ATOM 119 HA3 GLY A 8 -1.450 -8.188 -7.314 1.00 0.00 H ATOM 120 N THR A 9 -1.272 -10.819 -5.989 1.00 0.00 N ATOM 121 CA THR A 9 -0.568 -12.063 -5.729 1.00 0.00 C ATOM 122 C THR A 9 -0.408 -12.866 -7.021 1.00 0.00 C ATOM 123 O THR A 9 -1.127 -12.635 -7.993 1.00 0.00 O ATOM 124 CB THR A 9 -1.328 -12.816 -4.636 1.00 0.00 C ATOM 125 OG1 THR A 9 -2.700 -12.583 -4.943 1.00 0.00 O ATOM 126 CG2 THR A 9 -1.143 -12.186 -3.254 1.00 0.00 C ATOM 127 H THR A 9 -2.247 -10.918 -6.186 1.00 0.00 H ATOM 128 HA THR A 9 0.435 -11.823 -5.376 1.00 0.00 H ATOM 129 HB THR A 9 -1.049 -13.870 -4.623 1.00 0.00 H ATOM 130 HG1 THR A 9 -3.040 -13.299 -5.552 1.00 0.00 H ATOM 131 HG21 THR A 9 -0.155 -12.437 -2.869 1.00 0.00 H ATOM 132 HG22 THR A 9 -1.239 -11.103 -3.332 1.00 0.00 H ATOM 133 HG23 THR A 9 -1.905 -12.570 -2.575 1.00 0.00 H ATOM 134 N ASP A 10 0.539 -13.792 -6.992 1.00 0.00 N ATOM 135 CA ASP A 10 0.802 -14.631 -8.149 1.00 0.00 C ATOM 136 C ASP A 10 -0.462 -15.417 -8.502 1.00 0.00 C ATOM 137 O ASP A 10 -0.572 -15.961 -9.599 1.00 0.00 O ATOM 138 CB ASP A 10 1.918 -15.636 -7.858 1.00 0.00 C ATOM 139 CG ASP A 10 2.485 -16.347 -9.089 1.00 0.00 C ATOM 140 OD1 ASP A 10 2.097 -15.943 -10.206 1.00 0.00 O ATOM 141 OD2 ASP A 10 3.293 -17.278 -8.884 1.00 0.00 O ATOM 142 H ASP A 10 1.119 -13.974 -6.198 1.00 0.00 H ATOM 143 HA ASP A 10 1.100 -13.942 -8.940 1.00 0.00 H ATOM 144 HB2 ASP A 10 2.731 -15.117 -7.351 1.00 0.00 H ATOM 145 HB3 ASP A 10 1.539 -16.387 -7.166 1.00 0.00 H ATOM 146 N LYS A 11 -1.384 -15.451 -7.551 1.00 0.00 N ATOM 147 CA LYS A 11 -2.636 -16.161 -7.748 1.00 0.00 C ATOM 148 C LYS A 11 -3.674 -15.203 -8.338 1.00 0.00 C ATOM 149 O LYS A 11 -4.844 -15.242 -7.962 1.00 0.00 O ATOM 150 CB LYS A 11 -3.085 -16.827 -6.446 1.00 0.00 C ATOM 151 CG LYS A 11 -3.158 -18.347 -6.604 1.00 0.00 C ATOM 152 CD LYS A 11 -3.363 -19.030 -5.251 1.00 0.00 C ATOM 153 CE LYS A 11 -2.829 -20.464 -5.274 1.00 0.00 C ATOM 154 NZ LYS A 11 -3.063 -21.125 -3.970 1.00 0.00 N ATOM 155 H LYS A 11 -1.287 -15.005 -6.661 1.00 0.00 H ATOM 156 HA LYS A 11 -2.451 -16.957 -8.470 1.00 0.00 H ATOM 157 HB2 LYS A 11 -2.390 -16.574 -5.645 1.00 0.00 H ATOM 158 HB3 LYS A 11 -4.062 -16.441 -6.154 1.00 0.00 H ATOM 159 HG2 LYS A 11 -3.976 -18.608 -7.275 1.00 0.00 H ATOM 160 HG3 LYS A 11 -2.240 -18.713 -7.065 1.00 0.00 H ATOM 161 HD2 LYS A 11 -2.856 -18.462 -4.472 1.00 0.00 H ATOM 162 HD3 LYS A 11 -4.424 -19.037 -5.001 1.00 0.00 H ATOM 163 HE2 LYS A 11 -3.319 -21.028 -6.067 1.00 0.00 H ATOM 164 HE3 LYS A 11 -1.763 -20.458 -5.499 1.00 0.00 H ATOM 165 HZ1 LYS A 11 -2.527 -21.968 -3.923 1.00 0.00 H ATOM 166 HZ2 LYS A 11 -2.786 -20.511 -3.231 1.00 0.00 H ATOM 167 HZ3 LYS A 11 -4.035 -21.342 -3.876 1.00 0.00 H ATOM 168 N TYR A 12 -3.206 -14.367 -9.253 1.00 0.00 N ATOM 169 CA TYR A 12 -4.079 -13.401 -9.899 1.00 0.00 C ATOM 170 C TYR A 12 -5.090 -12.825 -8.906 1.00 0.00 C ATOM 171 O TYR A 12 -6.198 -12.453 -9.288 1.00 0.00 O ATOM 172 CB TYR A 12 -4.831 -14.172 -10.985 1.00 0.00 C ATOM 173 CG TYR A 12 -4.443 -13.777 -12.412 1.00 0.00 C ATOM 174 CD1 TYR A 12 -5.110 -12.752 -13.050 1.00 0.00 C ATOM 175 CD2 TYR A 12 -3.425 -14.447 -13.060 1.00 0.00 C ATOM 176 CE1 TYR A 12 -4.744 -12.380 -14.392 1.00 0.00 C ATOM 177 CE2 TYR A 12 -3.059 -14.075 -14.402 1.00 0.00 C ATOM 178 CZ TYR A 12 -3.737 -13.060 -15.002 1.00 0.00 C ATOM 179 OH TYR A 12 -3.391 -12.709 -16.270 1.00 0.00 O ATOM 180 H TYR A 12 -2.253 -14.342 -9.554 1.00 0.00 H ATOM 181 HA TYR A 12 -3.458 -12.592 -10.284 1.00 0.00 H ATOM 182 HB2 TYR A 12 -4.649 -15.239 -10.852 1.00 0.00 H ATOM 183 HB3 TYR A 12 -5.902 -14.014 -10.854 1.00 0.00 H ATOM 184 HD1 TYR A 12 -5.914 -12.223 -12.538 1.00 0.00 H ATOM 185 HD2 TYR A 12 -2.898 -15.257 -12.556 1.00 0.00 H ATOM 186 HE1 TYR A 12 -5.263 -11.572 -14.907 1.00 0.00 H ATOM 187 HE2 TYR A 12 -2.257 -14.596 -14.926 1.00 0.00 H ATOM 188 HH TYR A 12 -2.899 -11.839 -16.261 1.00 0.00 H ATOM 189 N ALA A 13 -4.672 -12.771 -7.650 1.00 0.00 N ATOM 190 CA ALA A 13 -5.528 -12.247 -6.598 1.00 0.00 C ATOM 191 C ALA A 13 -5.050 -10.847 -6.208 1.00 0.00 C ATOM 192 O ALA A 13 -3.927 -10.680 -5.735 1.00 0.00 O ATOM 193 CB ALA A 13 -5.531 -13.214 -5.413 1.00 0.00 C ATOM 194 H ALA A 13 -3.770 -13.076 -7.347 1.00 0.00 H ATOM 195 HA ALA A 13 -6.540 -12.178 -6.997 1.00 0.00 H ATOM 196 HB1 ALA A 13 -6.541 -13.296 -5.013 1.00 0.00 H ATOM 197 HB2 ALA A 13 -5.190 -14.195 -5.743 1.00 0.00 H ATOM 198 HB3 ALA A 13 -4.862 -12.840 -4.637 1.00 0.00 H ATOM 199 N PRO A 14 -5.949 -9.851 -6.426 1.00 0.00 N ATOM 200 CA PRO A 14 -5.631 -8.471 -6.103 1.00 0.00 C ATOM 201 C PRO A 14 -5.685 -8.235 -4.592 1.00 0.00 C ATOM 202 O PRO A 14 -6.759 -8.024 -4.031 1.00 0.00 O ATOM 203 CB PRO A 14 -6.648 -7.642 -6.869 1.00 0.00 C ATOM 204 CG PRO A 14 -7.781 -8.593 -7.221 1.00 0.00 C ATOM 205 CD PRO A 14 -7.289 -10.011 -6.985 1.00 0.00 C ATOM 206 HA PRO A 14 -4.694 -8.257 -6.379 1.00 0.00 H ATOM 207 HB2 PRO A 14 -7.010 -6.810 -6.265 1.00 0.00 H ATOM 208 HB3 PRO A 14 -6.205 -7.213 -7.768 1.00 0.00 H ATOM 209 HG2 PRO A 14 -8.657 -8.386 -6.606 1.00 0.00 H ATOM 210 HG3 PRO A 14 -8.082 -8.461 -8.260 1.00 0.00 H ATOM 211 HD2 PRO A 14 -7.943 -10.549 -6.298 1.00 0.00 H ATOM 212 HD3 PRO A 14 -7.265 -10.581 -7.914 1.00 0.00 H ATOM 213 N LEU A 15 -4.513 -8.281 -3.976 1.00 0.00 N ATOM 214 CA LEU A 15 -4.413 -8.075 -2.541 1.00 0.00 C ATOM 215 C LEU A 15 -3.047 -7.470 -2.210 1.00 0.00 C ATOM 216 O LEU A 15 -2.072 -7.702 -2.924 1.00 0.00 O ATOM 217 CB LEU A 15 -4.707 -9.376 -1.791 1.00 0.00 C ATOM 218 CG LEU A 15 -3.833 -10.576 -2.163 1.00 0.00 C ATOM 219 CD1 LEU A 15 -2.741 -10.805 -1.116 1.00 0.00 C ATOM 220 CD2 LEU A 15 -4.686 -11.827 -2.384 1.00 0.00 C ATOM 221 H LEU A 15 -3.644 -8.454 -4.439 1.00 0.00 H ATOM 222 HA LEU A 15 -5.185 -7.359 -2.259 1.00 0.00 H ATOM 223 HB2 LEU A 15 -4.598 -9.189 -0.723 1.00 0.00 H ATOM 224 HB3 LEU A 15 -5.749 -9.644 -1.963 1.00 0.00 H ATOM 225 HG LEU A 15 -3.334 -10.356 -3.106 1.00 0.00 H ATOM 226 HD11 LEU A 15 -2.975 -10.235 -0.217 1.00 0.00 H ATOM 227 HD12 LEU A 15 -2.689 -11.865 -0.871 1.00 0.00 H ATOM 228 HD13 LEU A 15 -1.781 -10.476 -1.515 1.00 0.00 H ATOM 229 HD21 LEU A 15 -5.119 -12.144 -1.435 1.00 0.00 H ATOM 230 HD22 LEU A 15 -5.484 -11.602 -3.091 1.00 0.00 H ATOM 231 HD23 LEU A 15 -4.061 -12.626 -2.783 1.00 0.00 H ATOM 232 N TYR A 16 -3.020 -6.706 -1.128 1.00 0.00 N ATOM 233 CA TYR A 16 -1.790 -6.066 -0.695 1.00 0.00 C ATOM 234 C TYR A 16 -0.869 -7.067 0.006 1.00 0.00 C ATOM 235 O TYR A 16 -1.279 -7.737 0.952 1.00 0.00 O ATOM 236 CB TYR A 16 -2.206 -4.987 0.307 1.00 0.00 C ATOM 237 CG TYR A 16 -2.514 -3.631 -0.332 1.00 0.00 C ATOM 238 CD1 TYR A 16 -1.603 -3.049 -1.189 1.00 0.00 C ATOM 239 CD2 TYR A 16 -3.704 -2.990 -0.050 1.00 0.00 C ATOM 240 CE1 TYR A 16 -1.893 -1.773 -1.790 1.00 0.00 C ATOM 241 CE2 TYR A 16 -3.994 -1.714 -0.652 1.00 0.00 C ATOM 242 CZ TYR A 16 -3.074 -1.169 -1.492 1.00 0.00 C ATOM 243 OH TYR A 16 -3.348 0.037 -2.060 1.00 0.00 O ATOM 244 H TYR A 16 -3.817 -6.522 -0.553 1.00 0.00 H ATOM 245 HA TYR A 16 -1.285 -5.675 -1.578 1.00 0.00 H ATOM 246 HB2 TYR A 16 -3.087 -5.330 0.850 1.00 0.00 H ATOM 247 HB3 TYR A 16 -1.410 -4.859 1.040 1.00 0.00 H ATOM 248 HD1 TYR A 16 -0.664 -3.555 -1.412 1.00 0.00 H ATOM 249 HD2 TYR A 16 -4.424 -3.450 0.627 1.00 0.00 H ATOM 250 HE1 TYR A 16 -1.182 -1.302 -2.469 1.00 0.00 H ATOM 251 HE2 TYR A 16 -4.930 -1.197 -0.438 1.00 0.00 H ATOM 252 HH TYR A 16 -4.305 0.280 -1.900 1.00 0.00 H ATOM 253 N GLU A 17 0.360 -7.137 -0.486 1.00 0.00 N ATOM 254 CA GLU A 17 1.342 -8.044 0.081 1.00 0.00 C ATOM 255 C GLU A 17 2.652 -7.303 0.359 1.00 0.00 C ATOM 256 O GLU A 17 3.125 -6.537 -0.479 1.00 0.00 O ATOM 257 CB GLU A 17 1.576 -9.244 -0.839 1.00 0.00 C ATOM 258 CG GLU A 17 2.135 -10.434 -0.057 1.00 0.00 C ATOM 259 CD GLU A 17 2.323 -11.649 -0.968 1.00 0.00 C ATOM 260 OE1 GLU A 17 1.347 -12.420 -1.095 1.00 0.00 O ATOM 261 OE2 GLU A 17 3.438 -11.780 -1.517 1.00 0.00 O ATOM 262 H GLU A 17 0.686 -6.588 -1.256 1.00 0.00 H ATOM 263 HA GLU A 17 0.908 -8.392 1.019 1.00 0.00 H ATOM 264 HB2 GLU A 17 0.639 -9.527 -1.319 1.00 0.00 H ATOM 265 HB3 GLU A 17 2.270 -8.968 -1.633 1.00 0.00 H ATOM 266 HG2 GLU A 17 3.089 -10.162 0.394 1.00 0.00 H ATOM 267 HG3 GLU A 17 1.458 -10.688 0.759 1.00 0.00 H ATOM 268 N PRO A 18 3.214 -7.563 1.570 1.00 0.00 N ATOM 269 CA PRO A 18 2.588 -8.484 2.503 1.00 0.00 C ATOM 270 C PRO A 18 1.368 -7.844 3.169 1.00 0.00 C ATOM 271 O PRO A 18 1.388 -6.660 3.502 1.00 0.00 O ATOM 272 CB PRO A 18 3.683 -8.846 3.493 1.00 0.00 C ATOM 273 CG PRO A 18 4.743 -7.765 3.356 1.00 0.00 C ATOM 274 CD PRO A 18 4.456 -6.991 2.080 1.00 0.00 C ATOM 275 HA PRO A 18 2.244 -9.289 2.019 1.00 0.00 H ATOM 276 HB2 PRO A 18 3.293 -8.884 4.510 1.00 0.00 H ATOM 277 HB3 PRO A 18 4.098 -9.830 3.274 1.00 0.00 H ATOM 278 HG2 PRO A 18 4.723 -7.100 4.219 1.00 0.00 H ATOM 279 HG3 PRO A 18 5.738 -8.209 3.318 1.00 0.00 H ATOM 280 HD2 PRO A 18 4.348 -5.925 2.279 1.00 0.00 H ATOM 281 HD3 PRO A 18 5.268 -7.100 1.360 1.00 0.00 H ATOM 282 N LYS A 19 0.335 -8.656 3.343 1.00 0.00 N ATOM 283 CA LYS A 19 -0.892 -8.184 3.963 1.00 0.00 C ATOM 284 C LYS A 19 -0.544 -7.257 5.129 1.00 0.00 C ATOM 285 O LYS A 19 -1.200 -6.236 5.333 1.00 0.00 O ATOM 286 CB LYS A 19 -1.781 -9.364 4.359 1.00 0.00 C ATOM 287 CG LYS A 19 -3.262 -9.008 4.215 1.00 0.00 C ATOM 288 CD LYS A 19 -4.144 -10.032 4.931 1.00 0.00 C ATOM 289 CE LYS A 19 -5.483 -9.413 5.337 1.00 0.00 C ATOM 290 NZ LYS A 19 -6.245 -10.346 6.197 1.00 0.00 N ATOM 291 H LYS A 19 0.327 -9.617 3.069 1.00 0.00 H ATOM 292 HA LYS A 19 -1.435 -7.608 3.214 1.00 0.00 H ATOM 293 HB2 LYS A 19 -1.548 -10.226 3.733 1.00 0.00 H ATOM 294 HB3 LYS A 19 -1.571 -9.653 5.389 1.00 0.00 H ATOM 295 HG2 LYS A 19 -3.442 -8.015 4.627 1.00 0.00 H ATOM 296 HG3 LYS A 19 -3.529 -8.968 3.159 1.00 0.00 H ATOM 297 HD2 LYS A 19 -4.318 -10.888 4.278 1.00 0.00 H ATOM 298 HD3 LYS A 19 -3.629 -10.406 5.816 1.00 0.00 H ATOM 299 HE2 LYS A 19 -5.311 -8.477 5.869 1.00 0.00 H ATOM 300 HE3 LYS A 19 -6.064 -9.172 4.447 1.00 0.00 H ATOM 301 HZ1 LYS A 19 -7.225 -10.209 6.051 1.00 0.00 H ATOM 302 HZ2 LYS A 19 -6.002 -11.288 5.965 1.00 0.00 H ATOM 303 HZ3 LYS A 19 -6.024 -10.171 7.157 1.00 0.00 H ATOM 304 N ALA A 20 0.487 -7.645 5.866 1.00 0.00 N ATOM 305 CA ALA A 20 0.929 -6.862 7.007 1.00 0.00 C ATOM 306 C ALA A 20 2.380 -6.429 6.791 1.00 0.00 C ATOM 307 O ALA A 20 3.167 -7.160 6.190 1.00 0.00 O ATOM 308 CB ALA A 20 0.749 -7.679 8.288 1.00 0.00 C ATOM 309 H ALA A 20 1.015 -8.477 5.693 1.00 0.00 H ATOM 310 HA ALA A 20 0.298 -5.975 7.065 1.00 0.00 H ATOM 311 HB1 ALA A 20 -0.314 -7.770 8.514 1.00 0.00 H ATOM 312 HB2 ALA A 20 1.176 -8.672 8.149 1.00 0.00 H ATOM 313 HB3 ALA A 20 1.255 -7.178 9.113 1.00 0.00 H ATOM 314 N LEU A 21 2.691 -5.243 7.293 1.00 0.00 N ATOM 315 CA LEU A 21 4.035 -4.704 7.162 1.00 0.00 C ATOM 316 C LEU A 21 4.399 -3.940 8.437 1.00 0.00 C ATOM 317 O LEU A 21 3.557 -3.254 9.015 1.00 0.00 O ATOM 318 CB LEU A 21 4.155 -3.867 5.887 1.00 0.00 C ATOM 319 CG LEU A 21 5.313 -2.868 5.848 1.00 0.00 C ATOM 320 CD1 LEU A 21 6.657 -3.580 6.008 1.00 0.00 C ATOM 321 CD2 LEU A 21 5.261 -2.020 4.575 1.00 0.00 C ATOM 322 H LEU A 21 2.046 -4.655 7.780 1.00 0.00 H ATOM 323 HA LEU A 21 4.717 -5.548 7.059 1.00 0.00 H ATOM 324 HB2 LEU A 21 4.256 -4.545 5.040 1.00 0.00 H ATOM 325 HB3 LEU A 21 3.223 -3.319 5.747 1.00 0.00 H ATOM 326 HG LEU A 21 5.206 -2.188 6.693 1.00 0.00 H ATOM 327 HD11 LEU A 21 6.490 -4.592 6.377 1.00 0.00 H ATOM 328 HD12 LEU A 21 7.162 -3.624 5.043 1.00 0.00 H ATOM 329 HD13 LEU A 21 7.277 -3.032 6.717 1.00 0.00 H ATOM 330 HD21 LEU A 21 6.081 -2.304 3.916 1.00 0.00 H ATOM 331 HD22 LEU A 21 4.312 -2.185 4.067 1.00 0.00 H ATOM 332 HD23 LEU A 21 5.355 -0.966 4.837 1.00 0.00 H ATOM 333 N SER A 22 5.653 -4.084 8.837 1.00 0.00 N ATOM 334 CA SER A 22 6.139 -3.415 10.032 1.00 0.00 C ATOM 335 C SER A 22 7.443 -2.676 9.725 1.00 0.00 C ATOM 336 O SER A 22 8.263 -3.155 8.944 1.00 0.00 O ATOM 337 CB SER A 22 6.350 -4.412 11.174 1.00 0.00 C ATOM 338 OG SER A 22 6.523 -3.759 12.428 1.00 0.00 O ATOM 339 H SER A 22 6.331 -4.644 8.361 1.00 0.00 H ATOM 340 HA SER A 22 5.355 -2.710 10.307 1.00 0.00 H ATOM 341 HB2 SER A 22 5.494 -5.085 11.230 1.00 0.00 H ATOM 342 HB3 SER A 22 7.224 -5.027 10.961 1.00 0.00 H ATOM 343 HG SER A 22 7.497 -3.665 12.633 1.00 0.00 H ATOM 344 N ILE A 23 7.594 -1.521 10.357 1.00 0.00 N ATOM 345 CA ILE A 23 8.784 -0.711 10.161 1.00 0.00 C ATOM 346 C ILE A 23 9.002 0.172 11.391 1.00 0.00 C ATOM 347 O ILE A 23 8.252 0.087 12.362 1.00 0.00 O ATOM 348 CB ILE A 23 8.690 0.072 8.851 1.00 0.00 C ATOM 349 CG1 ILE A 23 7.609 1.152 8.934 1.00 0.00 C ATOM 350 CG2 ILE A 23 8.470 -0.869 7.664 1.00 0.00 C ATOM 351 CD1 ILE A 23 7.871 2.269 7.922 1.00 0.00 C ATOM 352 H ILE A 23 6.922 -1.139 10.991 1.00 0.00 H ATOM 353 HA ILE A 23 9.631 -1.392 10.070 1.00 0.00 H ATOM 354 HB ILE A 23 9.640 0.580 8.687 1.00 0.00 H ATOM 355 HG12 ILE A 23 6.631 0.708 8.745 1.00 0.00 H ATOM 356 HG13 ILE A 23 7.581 1.567 9.941 1.00 0.00 H ATOM 357 HG21 ILE A 23 9.234 -1.646 7.671 1.00 0.00 H ATOM 358 HG22 ILE A 23 7.484 -1.328 7.742 1.00 0.00 H ATOM 359 HG23 ILE A 23 8.535 -0.303 6.735 1.00 0.00 H ATOM 360 HD11 ILE A 23 8.282 3.137 8.438 1.00 0.00 H ATOM 361 HD12 ILE A 23 8.582 1.921 7.172 1.00 0.00 H ATOM 362 HD13 ILE A 23 6.936 2.546 7.435 1.00 0.00 H ATOM 363 N SER A 24 10.034 1.000 11.310 1.00 0.00 N ATOM 364 CA SER A 24 10.360 1.898 12.405 1.00 0.00 C ATOM 365 C SER A 24 10.309 3.350 11.923 1.00 0.00 C ATOM 366 O SER A 24 10.420 3.615 10.727 1.00 0.00 O ATOM 367 CB SER A 24 11.739 1.580 12.985 1.00 0.00 C ATOM 368 OG SER A 24 11.913 0.184 13.214 1.00 0.00 O ATOM 369 H SER A 24 10.639 1.063 10.517 1.00 0.00 H ATOM 370 HA SER A 24 9.597 1.719 13.162 1.00 0.00 H ATOM 371 HB2 SER A 24 12.511 1.935 12.302 1.00 0.00 H ATOM 372 HB3 SER A 24 11.871 2.120 13.923 1.00 0.00 H ATOM 373 HG SER A 24 12.297 0.032 14.124 1.00 0.00 H ATOM 374 N ALA A 25 10.141 4.251 12.880 1.00 0.00 N ATOM 375 CA ALA A 25 10.074 5.669 12.568 1.00 0.00 C ATOM 376 C ALA A 25 11.358 6.090 11.852 1.00 0.00 C ATOM 377 O ALA A 25 12.409 6.218 12.477 1.00 0.00 O ATOM 378 CB ALA A 25 9.836 6.463 13.854 1.00 0.00 C ATOM 379 H ALA A 25 10.051 4.027 13.850 1.00 0.00 H ATOM 380 HA ALA A 25 9.227 5.822 11.900 1.00 0.00 H ATOM 381 HB1 ALA A 25 8.843 6.238 14.242 1.00 0.00 H ATOM 382 HB2 ALA A 25 10.586 6.188 14.595 1.00 0.00 H ATOM 383 HB3 ALA A 25 9.910 7.530 13.641 1.00 0.00 H ATOM 384 N GLY A 26 11.230 6.296 10.549 1.00 0.00 N ATOM 385 CA GLY A 26 12.368 6.700 9.740 1.00 0.00 C ATOM 386 C GLY A 26 12.583 5.733 8.574 1.00 0.00 C ATOM 387 O GLY A 26 13.413 5.983 7.701 1.00 0.00 O ATOM 388 H GLY A 26 10.372 6.190 10.047 1.00 0.00 H ATOM 389 HA2 GLY A 26 12.206 7.708 9.357 1.00 0.00 H ATOM 390 HA3 GLY A 26 13.264 6.735 10.359 1.00 0.00 H ATOM 391 N ASP A 27 11.821 4.650 8.597 1.00 0.00 N ATOM 392 CA ASP A 27 11.918 3.644 7.553 1.00 0.00 C ATOM 393 C ASP A 27 11.091 4.089 6.344 1.00 0.00 C ATOM 394 O ASP A 27 10.395 5.101 6.403 1.00 0.00 O ATOM 395 CB ASP A 27 11.369 2.299 8.031 1.00 0.00 C ATOM 396 CG ASP A 27 12.313 1.499 8.932 1.00 0.00 C ATOM 397 OD1 ASP A 27 13.182 2.144 9.558 1.00 0.00 O ATOM 398 OD2 ASP A 27 12.144 0.262 8.975 1.00 0.00 O ATOM 399 H ASP A 27 11.148 4.455 9.310 1.00 0.00 H ATOM 400 HA ASP A 27 12.981 3.569 7.326 1.00 0.00 H ATOM 401 HB2 ASP A 27 10.438 2.474 8.570 1.00 0.00 H ATOM 402 HB3 ASP A 27 11.124 1.693 7.159 1.00 0.00 H ATOM 403 N THR A 28 11.197 3.311 5.277 1.00 0.00 N ATOM 404 CA THR A 28 10.468 3.612 4.057 1.00 0.00 C ATOM 405 C THR A 28 9.593 2.424 3.651 1.00 0.00 C ATOM 406 O THR A 28 9.892 1.282 3.997 1.00 0.00 O ATOM 407 CB THR A 28 11.484 4.012 2.985 1.00 0.00 C ATOM 408 OG1 THR A 28 12.340 4.940 3.648 1.00 0.00 O ATOM 409 CG2 THR A 28 10.853 4.829 1.856 1.00 0.00 C ATOM 410 H THR A 28 11.766 2.490 5.238 1.00 0.00 H ATOM 411 HA THR A 28 9.798 4.449 4.254 1.00 0.00 H ATOM 412 HB THR A 28 12.000 3.137 2.592 1.00 0.00 H ATOM 413 HG1 THR A 28 13.294 4.660 3.542 1.00 0.00 H ATOM 414 HG21 THR A 28 11.575 4.950 1.048 1.00 0.00 H ATOM 415 HG22 THR A 28 9.971 4.309 1.480 1.00 0.00 H ATOM 416 HG23 THR A 28 10.563 5.809 2.234 1.00 0.00 H ATOM 417 N VAL A 29 8.531 2.734 2.923 1.00 0.00 N ATOM 418 CA VAL A 29 7.611 1.706 2.466 1.00 0.00 C ATOM 419 C VAL A 29 7.344 1.894 0.971 1.00 0.00 C ATOM 420 O VAL A 29 6.576 2.771 0.580 1.00 0.00 O ATOM 421 CB VAL A 29 6.334 1.733 3.310 1.00 0.00 C ATOM 422 CG1 VAL A 29 5.266 0.811 2.718 1.00 0.00 C ATOM 423 CG2 VAL A 29 6.631 1.367 4.765 1.00 0.00 C ATOM 424 H VAL A 29 8.295 3.665 2.646 1.00 0.00 H ATOM 425 HA VAL A 29 8.094 0.741 2.618 1.00 0.00 H ATOM 426 HB VAL A 29 5.944 2.751 3.293 1.00 0.00 H ATOM 427 HG11 VAL A 29 5.260 0.911 1.633 1.00 0.00 H ATOM 428 HG12 VAL A 29 5.490 -0.222 2.986 1.00 0.00 H ATOM 429 HG13 VAL A 29 4.289 1.086 3.115 1.00 0.00 H ATOM 430 HG21 VAL A 29 5.697 1.139 5.280 1.00 0.00 H ATOM 431 HG22 VAL A 29 7.285 0.495 4.794 1.00 0.00 H ATOM 432 HG23 VAL A 29 7.122 2.206 5.258 1.00 0.00 H ATOM 433 N GLU A 30 7.993 1.055 0.177 1.00 0.00 N ATOM 434 CA GLU A 30 7.835 1.118 -1.266 1.00 0.00 C ATOM 435 C GLU A 30 6.525 0.449 -1.686 1.00 0.00 C ATOM 436 O GLU A 30 5.873 -0.209 -0.878 1.00 0.00 O ATOM 437 CB GLU A 30 9.030 0.478 -1.976 1.00 0.00 C ATOM 438 CG GLU A 30 9.109 0.934 -3.435 1.00 0.00 C ATOM 439 CD GLU A 30 10.532 0.789 -3.978 1.00 0.00 C ATOM 440 OE1 GLU A 30 11.398 1.564 -3.516 1.00 0.00 O ATOM 441 OE2 GLU A 30 10.722 -0.093 -4.843 1.00 0.00 O ATOM 442 H GLU A 30 8.616 0.344 0.504 1.00 0.00 H ATOM 443 HA GLU A 30 7.803 2.180 -1.508 1.00 0.00 H ATOM 444 HB2 GLU A 30 9.951 0.744 -1.458 1.00 0.00 H ATOM 445 HB3 GLU A 30 8.943 -0.607 -1.935 1.00 0.00 H ATOM 446 HG2 GLU A 30 8.422 0.345 -4.042 1.00 0.00 H ATOM 447 HG3 GLU A 30 8.791 1.974 -3.512 1.00 0.00 H ATOM 448 N PHE A 31 6.179 0.641 -2.951 1.00 0.00 N ATOM 449 CA PHE A 31 4.958 0.065 -3.488 1.00 0.00 C ATOM 450 C PHE A 31 5.128 -0.300 -4.965 1.00 0.00 C ATOM 451 O PHE A 31 5.433 0.561 -5.789 1.00 0.00 O ATOM 452 CB PHE A 31 3.867 1.129 -3.360 1.00 0.00 C ATOM 453 CG PHE A 31 3.364 1.336 -1.930 1.00 0.00 C ATOM 454 CD1 PHE A 31 4.062 2.127 -1.071 1.00 0.00 C ATOM 455 CD2 PHE A 31 2.219 0.728 -1.517 1.00 0.00 C ATOM 456 CE1 PHE A 31 3.595 2.318 0.256 1.00 0.00 C ATOM 457 CE2 PHE A 31 1.753 0.920 -0.190 1.00 0.00 C ATOM 458 CZ PHE A 31 2.451 1.711 0.669 1.00 0.00 C ATOM 459 H PHE A 31 6.715 1.178 -3.602 1.00 0.00 H ATOM 460 HA PHE A 31 4.747 -0.838 -2.915 1.00 0.00 H ATOM 461 HB2 PHE A 31 4.250 2.076 -3.740 1.00 0.00 H ATOM 462 HB3 PHE A 31 3.025 0.849 -3.993 1.00 0.00 H ATOM 463 HD1 PHE A 31 4.979 2.613 -1.402 1.00 0.00 H ATOM 464 HD2 PHE A 31 1.660 0.094 -2.205 1.00 0.00 H ATOM 465 HE1 PHE A 31 4.155 2.952 0.944 1.00 0.00 H ATOM 466 HE2 PHE A 31 0.835 0.433 0.141 1.00 0.00 H ATOM 467 HZ PHE A 31 2.093 1.858 1.688 1.00 0.00 H ATOM 468 N VAL A 32 4.923 -1.576 -5.254 1.00 0.00 N ATOM 469 CA VAL A 32 5.049 -2.065 -6.616 1.00 0.00 C ATOM 470 C VAL A 32 3.755 -2.773 -7.021 1.00 0.00 C ATOM 471 O VAL A 32 3.014 -3.258 -6.167 1.00 0.00 O ATOM 472 CB VAL A 32 6.284 -2.960 -6.738 1.00 0.00 C ATOM 473 CG1 VAL A 32 6.004 -4.359 -6.185 1.00 0.00 C ATOM 474 CG2 VAL A 32 6.768 -3.031 -8.188 1.00 0.00 C ATOM 475 H VAL A 32 4.675 -2.270 -4.577 1.00 0.00 H ATOM 476 HA VAL A 32 5.193 -1.200 -7.264 1.00 0.00 H ATOM 477 HB VAL A 32 7.080 -2.517 -6.140 1.00 0.00 H ATOM 478 HG11 VAL A 32 5.261 -4.294 -5.391 1.00 0.00 H ATOM 479 HG12 VAL A 32 5.626 -4.997 -6.984 1.00 0.00 H ATOM 480 HG13 VAL A 32 6.925 -4.783 -5.787 1.00 0.00 H ATOM 481 HG21 VAL A 32 6.830 -4.073 -8.500 1.00 0.00 H ATOM 482 HG22 VAL A 32 6.067 -2.500 -8.832 1.00 0.00 H ATOM 483 HG23 VAL A 32 7.753 -2.569 -8.265 1.00 0.00 H ATOM 484 N MET A 33 3.522 -2.811 -8.325 1.00 0.00 N ATOM 485 CA MET A 33 2.330 -3.452 -8.854 1.00 0.00 C ATOM 486 C MET A 33 2.636 -4.874 -9.328 1.00 0.00 C ATOM 487 O MET A 33 3.455 -5.070 -10.225 1.00 0.00 O ATOM 488 CB MET A 33 1.784 -2.630 -10.024 1.00 0.00 C ATOM 489 CG MET A 33 0.283 -2.383 -9.868 1.00 0.00 C ATOM 490 SD MET A 33 -0.276 -1.217 -11.098 1.00 0.00 S ATOM 491 CE MET A 33 -0.062 -2.197 -12.574 1.00 0.00 C ATOM 492 H MET A 33 4.129 -2.415 -9.013 1.00 0.00 H ATOM 493 HA MET A 33 1.622 -3.482 -8.026 1.00 0.00 H ATOM 494 HB2 MET A 33 2.309 -1.676 -10.079 1.00 0.00 H ATOM 495 HB3 MET A 33 1.975 -3.153 -10.961 1.00 0.00 H ATOM 496 HG2 MET A 33 -0.261 -3.322 -9.972 1.00 0.00 H ATOM 497 HG3 MET A 33 0.070 -2.001 -8.869 1.00 0.00 H ATOM 498 HE1 MET A 33 0.696 -1.738 -13.209 1.00 0.00 H ATOM 499 HE2 MET A 33 0.256 -3.203 -12.300 1.00 0.00 H ATOM 500 HE3 MET A 33 -1.006 -2.250 -13.116 1.00 0.00 H ATOM 501 N ASN A 34 1.962 -5.829 -8.705 1.00 0.00 N ATOM 502 CA ASN A 34 2.152 -7.227 -9.051 1.00 0.00 C ATOM 503 C ASN A 34 1.364 -7.544 -10.324 1.00 0.00 C ATOM 504 O ASN A 34 1.950 -7.844 -11.363 1.00 0.00 O ATOM 505 CB ASN A 34 1.642 -8.145 -7.939 1.00 0.00 C ATOM 506 CG ASN A 34 2.804 -8.727 -7.132 1.00 0.00 C ATOM 507 OD1 ASN A 34 3.684 -8.023 -6.666 1.00 0.00 O ATOM 508 ND2 ASN A 34 2.758 -10.049 -6.994 1.00 0.00 N ATOM 509 H ASN A 34 1.298 -5.661 -7.976 1.00 0.00 H ATOM 510 HA ASN A 34 3.227 -7.346 -9.186 1.00 0.00 H ATOM 511 HB2 ASN A 34 0.979 -7.587 -7.277 1.00 0.00 H ATOM 512 HB3 ASN A 34 1.053 -8.954 -8.371 1.00 0.00 H ATOM 513 HD21 ASN A 34 2.008 -10.569 -7.402 1.00 0.00 H ATOM 514 HD22 ASN A 34 3.475 -10.524 -6.482 1.00 0.00 H ATOM 515 N LYS A 35 0.047 -7.467 -10.201 1.00 0.00 N ATOM 516 CA LYS A 35 -0.827 -7.742 -11.328 1.00 0.00 C ATOM 517 C LYS A 35 -2.253 -7.312 -10.979 1.00 0.00 C ATOM 518 O LYS A 35 -2.471 -6.619 -9.987 1.00 0.00 O ATOM 519 CB LYS A 35 -0.713 -9.208 -11.750 1.00 0.00 C ATOM 520 CG LYS A 35 -1.071 -10.142 -10.592 1.00 0.00 C ATOM 521 CD LYS A 35 0.032 -11.175 -10.359 1.00 0.00 C ATOM 522 CE LYS A 35 -0.267 -12.475 -11.109 1.00 0.00 C ATOM 523 NZ LYS A 35 0.500 -12.532 -12.373 1.00 0.00 N ATOM 524 H LYS A 35 -0.422 -7.223 -9.352 1.00 0.00 H ATOM 525 HA LYS A 35 -0.480 -7.138 -12.166 1.00 0.00 H ATOM 526 HB2 LYS A 35 -1.374 -9.401 -12.595 1.00 0.00 H ATOM 527 HB3 LYS A 35 0.303 -9.415 -12.088 1.00 0.00 H ATOM 528 HG2 LYS A 35 -1.225 -9.558 -9.684 1.00 0.00 H ATOM 529 HG3 LYS A 35 -2.011 -10.650 -10.807 1.00 0.00 H ATOM 530 HD2 LYS A 35 0.989 -10.772 -10.690 1.00 0.00 H ATOM 531 HD3 LYS A 35 0.125 -11.380 -9.292 1.00 0.00 H ATOM 532 HE2 LYS A 35 -0.011 -13.330 -10.483 1.00 0.00 H ATOM 533 HE3 LYS A 35 -1.334 -12.543 -11.320 1.00 0.00 H ATOM 534 HZ1 LYS A 35 0.107 -13.231 -12.970 1.00 0.00 H ATOM 535 HZ2 LYS A 35 0.458 -11.643 -12.829 1.00 0.00 H ATOM 536 HZ3 LYS A 35 1.453 -12.761 -12.175 1.00 0.00 H ATOM 537 N VAL A 36 -3.188 -7.742 -11.814 1.00 0.00 N ATOM 538 CA VAL A 36 -4.587 -7.410 -11.606 1.00 0.00 C ATOM 539 C VAL A 36 -4.711 -5.920 -11.284 1.00 0.00 C ATOM 540 O VAL A 36 -5.283 -5.548 -10.260 1.00 0.00 O ATOM 541 CB VAL A 36 -5.182 -8.308 -10.518 1.00 0.00 C ATOM 542 CG1 VAL A 36 -4.445 -8.122 -9.190 1.00 0.00 C ATOM 543 CG2 VAL A 36 -6.681 -8.052 -10.355 1.00 0.00 C ATOM 544 H VAL A 36 -3.003 -8.306 -12.619 1.00 0.00 H ATOM 545 HA VAL A 36 -5.116 -7.613 -12.537 1.00 0.00 H ATOM 546 HB VAL A 36 -5.052 -9.344 -10.831 1.00 0.00 H ATOM 547 HG11 VAL A 36 -4.401 -7.061 -8.945 1.00 0.00 H ATOM 548 HG12 VAL A 36 -4.977 -8.655 -8.402 1.00 0.00 H ATOM 549 HG13 VAL A 36 -3.433 -8.517 -9.278 1.00 0.00 H ATOM 550 HG21 VAL A 36 -6.835 -7.226 -9.660 1.00 0.00 H ATOM 551 HG22 VAL A 36 -7.114 -7.797 -11.322 1.00 0.00 H ATOM 552 HG23 VAL A 36 -7.163 -8.949 -9.966 1.00 0.00 H ATOM 553 N GLY A 37 -4.166 -5.107 -12.177 1.00 0.00 N ATOM 554 CA GLY A 37 -4.209 -3.665 -12.001 1.00 0.00 C ATOM 555 C GLY A 37 -5.424 -3.062 -12.708 1.00 0.00 C ATOM 556 O GLY A 37 -6.283 -3.789 -13.202 1.00 0.00 O ATOM 557 H GLY A 37 -3.703 -5.418 -13.007 1.00 0.00 H ATOM 558 HA2 GLY A 37 -4.246 -3.426 -10.938 1.00 0.00 H ATOM 559 HA3 GLY A 37 -3.295 -3.220 -12.395 1.00 0.00 H ATOM 560 N PRO A 38 -5.457 -1.702 -12.735 1.00 0.00 N ATOM 561 CA PRO A 38 -4.398 -0.916 -12.125 1.00 0.00 C ATOM 562 C PRO A 38 -4.518 -0.924 -10.600 1.00 0.00 C ATOM 563 O PRO A 38 -5.292 -1.697 -10.038 1.00 0.00 O ATOM 564 CB PRO A 38 -4.544 0.473 -12.726 1.00 0.00 C ATOM 565 CG PRO A 38 -5.954 0.536 -13.290 1.00 0.00 C ATOM 566 CD PRO A 38 -6.499 -0.881 -13.343 1.00 0.00 C ATOM 567 HA PRO A 38 -3.505 -1.317 -12.331 1.00 0.00 H ATOM 568 HB2 PRO A 38 -4.391 1.243 -11.970 1.00 0.00 H ATOM 569 HB3 PRO A 38 -3.802 0.641 -13.507 1.00 0.00 H ATOM 570 HG2 PRO A 38 -6.587 1.166 -12.666 1.00 0.00 H ATOM 571 HG3 PRO A 38 -5.947 0.980 -14.286 1.00 0.00 H ATOM 572 HD2 PRO A 38 -7.439 -0.965 -12.797 1.00 0.00 H ATOM 573 HD3 PRO A 38 -6.699 -1.191 -14.369 1.00 0.00 H ATOM 574 N HIS A 39 -3.740 -0.053 -9.973 1.00 0.00 N ATOM 575 CA HIS A 39 -3.750 0.050 -8.524 1.00 0.00 C ATOM 576 C HIS A 39 -3.559 1.511 -8.112 1.00 0.00 C ATOM 577 O HIS A 39 -3.603 2.408 -8.953 1.00 0.00 O ATOM 578 CB HIS A 39 -2.704 -0.881 -7.906 1.00 0.00 C ATOM 579 CG HIS A 39 -2.944 -2.345 -8.186 1.00 0.00 C ATOM 580 ND1 HIS A 39 -3.556 -3.192 -7.278 1.00 0.00 N ATOM 581 CD2 HIS A 39 -2.650 -3.103 -9.281 1.00 0.00 C ATOM 582 CE1 HIS A 39 -3.621 -4.402 -7.813 1.00 0.00 C ATOM 583 NE2 HIS A 39 -3.058 -4.345 -9.054 1.00 0.00 N ATOM 584 H HIS A 39 -3.114 0.573 -10.437 1.00 0.00 H ATOM 585 HA HIS A 39 -4.732 -0.286 -8.192 1.00 0.00 H ATOM 586 HB2 HIS A 39 -1.720 -0.606 -8.283 1.00 0.00 H ATOM 587 HB3 HIS A 39 -2.687 -0.726 -6.827 1.00 0.00 H ATOM 588 HD2 HIS A 39 -2.161 -2.748 -10.189 1.00 0.00 H ATOM 589 HE1 HIS A 39 -4.048 -5.288 -7.343 1.00 0.00 H ATOM 590 HE2 HIS A 39 -3.019 -5.099 -9.710 1.00 0.00 H ATOM 591 N ASN A 40 -3.351 1.706 -6.818 1.00 0.00 N ATOM 592 CA ASN A 40 -3.153 3.043 -6.285 1.00 0.00 C ATOM 593 C ASN A 40 -3.088 2.974 -4.757 1.00 0.00 C ATOM 594 O ASN A 40 -3.431 1.952 -4.164 1.00 0.00 O ATOM 595 CB ASN A 40 -4.313 3.965 -6.667 1.00 0.00 C ATOM 596 CG ASN A 40 -5.645 3.215 -6.631 1.00 0.00 C ATOM 597 OD1 ASN A 40 -5.736 2.079 -6.195 1.00 0.00 O ATOM 598 ND2 ASN A 40 -6.671 3.910 -7.114 1.00 0.00 N ATOM 599 H ASN A 40 -3.316 0.971 -6.141 1.00 0.00 H ATOM 600 HA ASN A 40 -2.220 3.393 -6.726 1.00 0.00 H ATOM 601 HB2 ASN A 40 -4.350 4.812 -5.981 1.00 0.00 H ATOM 602 HB3 ASN A 40 -4.146 4.371 -7.665 1.00 0.00 H ATOM 603 HD21 ASN A 40 -6.528 4.838 -7.458 1.00 0.00 H ATOM 604 HD22 ASN A 40 -7.585 3.505 -7.134 1.00 0.00 H ATOM 605 N VAL A 41 -2.645 4.073 -4.165 1.00 0.00 N ATOM 606 CA VAL A 41 -2.531 4.150 -2.719 1.00 0.00 C ATOM 607 C VAL A 41 -3.681 4.992 -2.164 1.00 0.00 C ATOM 608 O VAL A 41 -3.762 6.190 -2.430 1.00 0.00 O ATOM 609 CB VAL A 41 -1.153 4.691 -2.331 1.00 0.00 C ATOM 610 CG1 VAL A 41 -1.000 4.763 -0.810 1.00 0.00 C ATOM 611 CG2 VAL A 41 -0.038 3.849 -2.955 1.00 0.00 C ATOM 612 H VAL A 41 -2.368 4.899 -4.656 1.00 0.00 H ATOM 613 HA VAL A 41 -2.617 3.136 -2.328 1.00 0.00 H ATOM 614 HB VAL A 41 -1.068 5.704 -2.725 1.00 0.00 H ATOM 615 HG11 VAL A 41 -1.597 3.977 -0.348 1.00 0.00 H ATOM 616 HG12 VAL A 41 0.048 4.628 -0.544 1.00 0.00 H ATOM 617 HG13 VAL A 41 -1.343 5.735 -0.457 1.00 0.00 H ATOM 618 HG21 VAL A 41 0.843 3.879 -2.313 1.00 0.00 H ATOM 619 HG22 VAL A 41 -0.376 2.818 -3.059 1.00 0.00 H ATOM 620 HG23 VAL A 41 0.214 4.250 -3.936 1.00 0.00 H ATOM 621 N ILE A 42 -4.543 4.332 -1.405 1.00 0.00 N ATOM 622 CA ILE A 42 -5.685 5.005 -0.810 1.00 0.00 C ATOM 623 C ILE A 42 -5.784 4.623 0.668 1.00 0.00 C ATOM 624 O ILE A 42 -6.632 3.818 1.050 1.00 0.00 O ATOM 625 CB ILE A 42 -6.957 4.708 -1.608 1.00 0.00 C ATOM 626 CG1 ILE A 42 -6.690 4.782 -3.113 1.00 0.00 C ATOM 627 CG2 ILE A 42 -8.100 5.631 -1.182 1.00 0.00 C ATOM 628 CD1 ILE A 42 -6.602 6.235 -3.583 1.00 0.00 C ATOM 629 H ILE A 42 -4.470 3.357 -1.194 1.00 0.00 H ATOM 630 HA ILE A 42 -5.505 6.077 -0.879 1.00 0.00 H ATOM 631 HB ILE A 42 -7.268 3.687 -1.387 1.00 0.00 H ATOM 632 HG12 ILE A 42 -5.760 4.263 -3.347 1.00 0.00 H ATOM 633 HG13 ILE A 42 -7.485 4.269 -3.653 1.00 0.00 H ATOM 634 HG21 ILE A 42 -8.274 5.524 -0.112 1.00 0.00 H ATOM 635 HG22 ILE A 42 -7.834 6.665 -1.405 1.00 0.00 H ATOM 636 HG23 ILE A 42 -9.005 5.364 -1.727 1.00 0.00 H ATOM 637 HD11 ILE A 42 -7.547 6.740 -3.383 1.00 0.00 H ATOM 638 HD12 ILE A 42 -5.799 6.742 -3.047 1.00 0.00 H ATOM 639 HD13 ILE A 42 -6.396 6.259 -4.653 1.00 0.00 H ATOM 640 N PHE A 43 -4.906 5.220 1.460 1.00 0.00 N ATOM 641 CA PHE A 43 -4.883 4.954 2.888 1.00 0.00 C ATOM 642 C PHE A 43 -6.291 5.033 3.483 1.00 0.00 C ATOM 643 O PHE A 43 -7.188 5.625 2.886 1.00 0.00 O ATOM 644 CB PHE A 43 -4.009 6.032 3.531 1.00 0.00 C ATOM 645 CG PHE A 43 -2.518 5.894 3.215 1.00 0.00 C ATOM 646 CD1 PHE A 43 -1.717 5.150 4.023 1.00 0.00 C ATOM 647 CD2 PHE A 43 -1.994 6.517 2.125 1.00 0.00 C ATOM 648 CE1 PHE A 43 -0.334 5.023 3.730 1.00 0.00 C ATOM 649 CE2 PHE A 43 -0.611 6.389 1.831 1.00 0.00 C ATOM 650 CZ PHE A 43 0.190 5.645 2.640 1.00 0.00 C ATOM 651 H PHE A 43 -4.219 5.874 1.142 1.00 0.00 H ATOM 652 HA PHE A 43 -4.491 3.946 3.023 1.00 0.00 H ATOM 653 HB2 PHE A 43 -4.352 7.011 3.197 1.00 0.00 H ATOM 654 HB3 PHE A 43 -4.145 5.999 4.612 1.00 0.00 H ATOM 655 HD1 PHE A 43 -2.137 4.651 4.897 1.00 0.00 H ATOM 656 HD2 PHE A 43 -2.636 7.113 1.477 1.00 0.00 H ATOM 657 HE1 PHE A 43 0.308 4.426 4.378 1.00 0.00 H ATOM 658 HE2 PHE A 43 -0.191 6.888 0.957 1.00 0.00 H ATOM 659 HZ PHE A 43 1.252 5.547 2.414 1.00 0.00 H ATOM 660 N ASP A 44 -6.439 4.429 4.653 1.00 0.00 N ATOM 661 CA ASP A 44 -7.722 4.424 5.335 1.00 0.00 C ATOM 662 C ASP A 44 -7.745 5.545 6.377 1.00 0.00 C ATOM 663 O ASP A 44 -8.686 6.336 6.423 1.00 0.00 O ATOM 664 CB ASP A 44 -7.955 3.098 6.062 1.00 0.00 C ATOM 665 CG ASP A 44 -9.414 2.643 6.125 1.00 0.00 C ATOM 666 OD1 ASP A 44 -9.983 2.407 5.038 1.00 0.00 O ATOM 667 OD2 ASP A 44 -9.928 2.542 7.260 1.00 0.00 O ATOM 668 H ASP A 44 -5.704 3.950 5.132 1.00 0.00 H ATOM 669 HA ASP A 44 -8.464 4.570 4.550 1.00 0.00 H ATOM 670 HB2 ASP A 44 -7.369 2.323 5.567 1.00 0.00 H ATOM 671 HB3 ASP A 44 -7.573 3.186 7.078 1.00 0.00 H ATOM 672 N LYS A 45 -6.698 5.576 7.188 1.00 0.00 N ATOM 673 CA LYS A 45 -6.586 6.586 8.226 1.00 0.00 C ATOM 674 C LYS A 45 -5.465 6.197 9.192 1.00 0.00 C ATOM 675 O LYS A 45 -5.272 5.017 9.482 1.00 0.00 O ATOM 676 CB LYS A 45 -7.937 6.805 8.909 1.00 0.00 C ATOM 677 CG LYS A 45 -8.509 8.182 8.564 1.00 0.00 C ATOM 678 CD LYS A 45 -9.400 8.704 9.693 1.00 0.00 C ATOM 679 CE LYS A 45 -10.392 9.745 9.172 1.00 0.00 C ATOM 680 NZ LYS A 45 -11.405 10.059 10.205 1.00 0.00 N ATOM 681 H LYS A 45 -5.936 4.929 7.144 1.00 0.00 H ATOM 682 HA LYS A 45 -6.314 7.524 7.742 1.00 0.00 H ATOM 683 HB2 LYS A 45 -8.636 6.029 8.598 1.00 0.00 H ATOM 684 HB3 LYS A 45 -7.822 6.715 9.989 1.00 0.00 H ATOM 685 HG2 LYS A 45 -7.695 8.883 8.385 1.00 0.00 H ATOM 686 HG3 LYS A 45 -9.085 8.119 7.641 1.00 0.00 H ATOM 687 HD2 LYS A 45 -9.943 7.874 10.146 1.00 0.00 H ATOM 688 HD3 LYS A 45 -8.782 9.144 10.475 1.00 0.00 H ATOM 689 HE2 LYS A 45 -9.860 10.653 8.888 1.00 0.00 H ATOM 690 HE3 LYS A 45 -10.884 9.370 8.274 1.00 0.00 H ATOM 691 HZ1 LYS A 45 -12.320 9.993 9.806 1.00 0.00 H ATOM 692 HZ2 LYS A 45 -11.323 9.409 10.960 1.00 0.00 H ATOM 693 HZ3 LYS A 45 -11.257 10.987 10.546 1.00 0.00 H ATOM 694 N VAL A 46 -4.754 7.211 9.664 1.00 0.00 N ATOM 695 CA VAL A 46 -3.657 6.989 10.591 1.00 0.00 C ATOM 696 C VAL A 46 -3.836 7.894 11.811 1.00 0.00 C ATOM 697 O VAL A 46 -4.526 8.910 11.739 1.00 0.00 O ATOM 698 CB VAL A 46 -2.320 7.202 9.879 1.00 0.00 C ATOM 699 CG1 VAL A 46 -2.228 6.344 8.615 1.00 0.00 C ATOM 700 CG2 VAL A 46 -2.100 8.681 9.555 1.00 0.00 C ATOM 701 H VAL A 46 -4.917 8.168 9.423 1.00 0.00 H ATOM 702 HA VAL A 46 -3.706 5.950 10.915 1.00 0.00 H ATOM 703 HB VAL A 46 -1.526 6.886 10.556 1.00 0.00 H ATOM 704 HG11 VAL A 46 -3.231 6.150 8.235 1.00 0.00 H ATOM 705 HG12 VAL A 46 -1.649 6.873 7.858 1.00 0.00 H ATOM 706 HG13 VAL A 46 -1.740 5.399 8.852 1.00 0.00 H ATOM 707 HG21 VAL A 46 -1.541 8.770 8.624 1.00 0.00 H ATOM 708 HG22 VAL A 46 -3.065 9.177 9.449 1.00 0.00 H ATOM 709 HG23 VAL A 46 -1.538 9.150 10.363 1.00 0.00 H ATOM 710 N PRO A 47 -3.185 7.483 12.932 1.00 0.00 N ATOM 711 CA PRO A 47 -3.266 8.245 14.166 1.00 0.00 C ATOM 712 C PRO A 47 -2.405 9.508 14.088 1.00 0.00 C ATOM 713 O PRO A 47 -1.548 9.626 13.214 1.00 0.00 O ATOM 714 CB PRO A 47 -2.812 7.284 15.253 1.00 0.00 C ATOM 715 CG PRO A 47 -2.056 6.175 14.539 1.00 0.00 C ATOM 716 CD PRO A 47 -2.359 6.286 13.054 1.00 0.00 C ATOM 717 HA PRO A 47 -4.202 8.562 14.319 1.00 0.00 H ATOM 718 HB2 PRO A 47 -2.174 7.787 15.979 1.00 0.00 H ATOM 719 HB3 PRO A 47 -3.665 6.884 15.802 1.00 0.00 H ATOM 720 HG2 PRO A 47 -0.985 6.267 14.718 1.00 0.00 H ATOM 721 HG3 PRO A 47 -2.360 5.200 14.919 1.00 0.00 H ATOM 722 HD2 PRO A 47 -1.443 6.375 12.468 1.00 0.00 H ATOM 723 HD3 PRO A 47 -2.884 5.403 12.690 1.00 0.00 H ATOM 724 N ALA A 48 -2.663 10.420 15.014 1.00 0.00 N ATOM 725 CA ALA A 48 -1.923 11.669 15.061 1.00 0.00 C ATOM 726 C ALA A 48 -0.447 11.394 14.763 1.00 0.00 C ATOM 727 O ALA A 48 0.128 10.442 15.288 1.00 0.00 O ATOM 728 CB ALA A 48 -2.128 12.334 16.424 1.00 0.00 C ATOM 729 H ALA A 48 -3.362 10.316 15.722 1.00 0.00 H ATOM 730 HA ALA A 48 -2.325 12.323 14.287 1.00 0.00 H ATOM 731 HB1 ALA A 48 -3.092 12.843 16.438 1.00 0.00 H ATOM 732 HB2 ALA A 48 -2.107 11.574 17.205 1.00 0.00 H ATOM 733 HB3 ALA A 48 -1.333 13.058 16.599 1.00 0.00 H ATOM 734 N GLY A 49 0.122 12.245 13.922 1.00 0.00 N ATOM 735 CA GLY A 49 1.519 12.106 13.549 1.00 0.00 C ATOM 736 C GLY A 49 1.698 12.242 12.035 1.00 0.00 C ATOM 737 O GLY A 49 2.459 13.090 11.571 1.00 0.00 O ATOM 738 H GLY A 49 -0.353 13.017 13.500 1.00 0.00 H ATOM 739 HA2 GLY A 49 2.113 12.865 14.059 1.00 0.00 H ATOM 740 HA3 GLY A 49 1.892 11.136 13.877 1.00 0.00 H ATOM 741 N GLU A 50 0.985 11.394 11.309 1.00 0.00 N ATOM 742 CA GLU A 50 1.056 11.409 9.858 1.00 0.00 C ATOM 743 C GLU A 50 -0.265 11.907 9.267 1.00 0.00 C ATOM 744 O GLU A 50 -1.153 12.339 10.000 1.00 0.00 O ATOM 745 CB GLU A 50 1.414 10.026 9.312 1.00 0.00 C ATOM 746 CG GLU A 50 2.654 10.093 8.418 1.00 0.00 C ATOM 747 CD GLU A 50 2.263 10.147 6.940 1.00 0.00 C ATOM 748 OE1 GLU A 50 2.074 9.055 6.363 1.00 0.00 O ATOM 749 OE2 GLU A 50 2.161 11.280 6.421 1.00 0.00 O ATOM 750 H GLU A 50 0.369 10.708 11.695 1.00 0.00 H ATOM 751 HA GLU A 50 1.856 12.108 9.614 1.00 0.00 H ATOM 752 HB2 GLU A 50 1.595 9.340 10.139 1.00 0.00 H ATOM 753 HB3 GLU A 50 0.574 9.626 8.744 1.00 0.00 H ATOM 754 HG2 GLU A 50 3.244 10.973 8.674 1.00 0.00 H ATOM 755 HG3 GLU A 50 3.285 9.223 8.599 1.00 0.00 H ATOM 756 N SER A 51 -0.354 11.828 7.947 1.00 0.00 N ATOM 757 CA SER A 51 -1.551 12.265 7.250 1.00 0.00 C ATOM 758 C SER A 51 -1.973 11.211 6.224 1.00 0.00 C ATOM 759 O SER A 51 -1.731 11.372 5.028 1.00 0.00 O ATOM 760 CB SER A 51 -1.328 13.614 6.565 1.00 0.00 C ATOM 761 OG SER A 51 -1.374 14.697 7.490 1.00 0.00 O ATOM 762 H SER A 51 0.373 11.475 7.358 1.00 0.00 H ATOM 763 HA SER A 51 -2.312 12.372 8.023 1.00 0.00 H ATOM 764 HB2 SER A 51 -0.362 13.609 6.060 1.00 0.00 H ATOM 765 HB3 SER A 51 -2.088 13.761 5.797 1.00 0.00 H ATOM 766 HG SER A 51 -0.765 15.431 7.188 1.00 0.00 H ATOM 767 N ALA A 52 -2.595 10.156 6.728 1.00 0.00 N ATOM 768 CA ALA A 52 -3.053 9.076 5.870 1.00 0.00 C ATOM 769 C ALA A 52 -3.915 9.654 4.746 1.00 0.00 C ATOM 770 O ALA A 52 -3.678 9.377 3.571 1.00 0.00 O ATOM 771 CB ALA A 52 -3.805 8.041 6.708 1.00 0.00 C ATOM 772 H ALA A 52 -2.788 10.033 7.701 1.00 0.00 H ATOM 773 HA ALA A 52 -2.173 8.603 5.434 1.00 0.00 H ATOM 774 HB1 ALA A 52 -3.441 7.043 6.465 1.00 0.00 H ATOM 775 HB2 ALA A 52 -3.638 8.241 7.767 1.00 0.00 H ATOM 776 HB3 ALA A 52 -4.871 8.102 6.491 1.00 0.00 H ATOM 777 N PRO A 53 -4.924 10.468 5.156 1.00 0.00 N ATOM 778 CA PRO A 53 -5.824 11.087 4.198 1.00 0.00 C ATOM 779 C PRO A 53 -5.137 12.247 3.472 1.00 0.00 C ATOM 780 O PRO A 53 -5.679 13.349 3.406 1.00 0.00 O ATOM 781 CB PRO A 53 -7.028 11.527 5.014 1.00 0.00 C ATOM 782 CG PRO A 53 -6.561 11.558 6.461 1.00 0.00 C ATOM 783 CD PRO A 53 -5.235 10.819 6.539 1.00 0.00 C ATOM 784 HA PRO A 53 -6.077 10.432 3.486 1.00 0.00 H ATOM 785 HB2 PRO A 53 -7.378 12.509 4.696 1.00 0.00 H ATOM 786 HB3 PRO A 53 -7.860 10.835 4.887 1.00 0.00 H ATOM 787 HG2 PRO A 53 -6.445 12.587 6.802 1.00 0.00 H ATOM 788 HG3 PRO A 53 -7.300 11.088 7.110 1.00 0.00 H ATOM 789 HD2 PRO A 53 -4.457 11.446 6.973 1.00 0.00 H ATOM 790 HD3 PRO A 53 -5.314 9.930 7.165 1.00 0.00 H ATOM 791 N ALA A 54 -3.956 11.958 2.947 1.00 0.00 N ATOM 792 CA ALA A 54 -3.190 12.962 2.229 1.00 0.00 C ATOM 793 C ALA A 54 -2.207 12.269 1.283 1.00 0.00 C ATOM 794 O ALA A 54 -2.082 12.653 0.121 1.00 0.00 O ATOM 795 CB ALA A 54 -2.487 13.881 3.230 1.00 0.00 C ATOM 796 H ALA A 54 -3.523 11.058 3.005 1.00 0.00 H ATOM 797 HA ALA A 54 -3.890 13.555 1.640 1.00 0.00 H ATOM 798 HB1 ALA A 54 -2.149 14.783 2.720 1.00 0.00 H ATOM 799 HB2 ALA A 54 -3.182 14.152 4.025 1.00 0.00 H ATOM 800 HB3 ALA A 54 -1.629 13.362 3.659 1.00 0.00 H ATOM 801 N LEU A 55 -1.535 11.260 1.817 1.00 0.00 N ATOM 802 CA LEU A 55 -0.567 10.509 1.035 1.00 0.00 C ATOM 803 C LEU A 55 -1.294 9.753 -0.079 1.00 0.00 C ATOM 804 O LEU A 55 -0.713 9.478 -1.128 1.00 0.00 O ATOM 805 CB LEU A 55 0.273 9.608 1.943 1.00 0.00 C ATOM 806 CG LEU A 55 1.546 10.234 2.517 1.00 0.00 C ATOM 807 CD1 LEU A 55 2.144 9.351 3.614 1.00 0.00 C ATOM 808 CD2 LEU A 55 2.556 10.536 1.409 1.00 0.00 C ATOM 809 H LEU A 55 -1.642 10.954 2.763 1.00 0.00 H ATOM 810 HA LEU A 55 0.112 11.229 0.578 1.00 0.00 H ATOM 811 HB2 LEU A 55 -0.353 9.279 2.773 1.00 0.00 H ATOM 812 HB3 LEU A 55 0.551 8.717 1.381 1.00 0.00 H ATOM 813 HG LEU A 55 1.281 11.185 2.979 1.00 0.00 H ATOM 814 HD11 LEU A 55 1.365 8.717 4.036 1.00 0.00 H ATOM 815 HD12 LEU A 55 2.930 8.726 3.188 1.00 0.00 H ATOM 816 HD13 LEU A 55 2.565 9.980 4.398 1.00 0.00 H ATOM 817 HD21 LEU A 55 3.567 10.466 1.810 1.00 0.00 H ATOM 818 HD22 LEU A 55 2.435 9.814 0.601 1.00 0.00 H ATOM 819 HD23 LEU A 55 2.385 11.542 1.026 1.00 0.00 H ATOM 820 N SER A 56 -2.553 9.439 0.187 1.00 0.00 N ATOM 821 CA SER A 56 -3.365 8.720 -0.780 1.00 0.00 C ATOM 822 C SER A 56 -3.205 9.346 -2.166 1.00 0.00 C ATOM 823 O SER A 56 -3.591 10.494 -2.381 1.00 0.00 O ATOM 824 CB SER A 56 -4.838 8.714 -0.366 1.00 0.00 C ATOM 825 OG SER A 56 -5.013 8.280 0.979 1.00 0.00 O ATOM 826 H SER A 56 -3.017 9.666 1.043 1.00 0.00 H ATOM 827 HA SER A 56 -2.983 7.699 -0.775 1.00 0.00 H ATOM 828 HB2 SER A 56 -5.250 9.717 -0.481 1.00 0.00 H ATOM 829 HB3 SER A 56 -5.399 8.061 -1.034 1.00 0.00 H ATOM 830 HG SER A 56 -5.448 7.380 0.995 1.00 0.00 H ATOM 831 N ASN A 57 -2.635 8.565 -3.072 1.00 0.00 N ATOM 832 CA ASN A 57 -2.420 9.029 -4.432 1.00 0.00 C ATOM 833 C ASN A 57 -3.395 8.316 -5.370 1.00 0.00 C ATOM 834 O ASN A 57 -3.352 7.094 -5.505 1.00 0.00 O ATOM 835 CB ASN A 57 -0.998 8.716 -4.902 1.00 0.00 C ATOM 836 CG ASN A 57 -0.254 9.995 -5.290 1.00 0.00 C ATOM 837 OD1 ASN A 57 -0.668 11.102 -4.984 1.00 0.00 O ATOM 838 ND2 ASN A 57 0.864 9.784 -5.979 1.00 0.00 N ATOM 839 H ASN A 57 -2.324 7.632 -2.889 1.00 0.00 H ATOM 840 HA ASN A 57 -2.586 10.105 -4.397 1.00 0.00 H ATOM 841 HB2 ASN A 57 -0.454 8.201 -4.110 1.00 0.00 H ATOM 842 HB3 ASN A 57 -1.034 8.039 -5.755 1.00 0.00 H ATOM 843 HD21 ASN A 57 1.147 8.850 -6.197 1.00 0.00 H ATOM 844 HD22 ASN A 57 1.420 10.559 -6.278 1.00 0.00 H ATOM 845 N THR A 58 -4.253 9.109 -5.995 1.00 0.00 N ATOM 846 CA THR A 58 -5.238 8.569 -6.916 1.00 0.00 C ATOM 847 C THR A 58 -4.668 8.518 -8.335 1.00 0.00 C ATOM 848 O THR A 58 -5.420 8.483 -9.309 1.00 0.00 O ATOM 849 CB THR A 58 -6.507 9.416 -6.801 1.00 0.00 C ATOM 850 OG1 THR A 58 -7.420 8.796 -7.703 1.00 0.00 O ATOM 851 CG2 THR A 58 -6.324 10.826 -7.366 1.00 0.00 C ATOM 852 H THR A 58 -4.282 10.102 -5.879 1.00 0.00 H ATOM 853 HA THR A 58 -5.457 7.543 -6.622 1.00 0.00 H ATOM 854 HB THR A 58 -6.859 9.451 -5.770 1.00 0.00 H ATOM 855 HG1 THR A 58 -8.165 8.365 -7.194 1.00 0.00 H ATOM 856 HG21 THR A 58 -7.190 11.436 -7.108 1.00 0.00 H ATOM 857 HG22 THR A 58 -5.425 11.273 -6.942 1.00 0.00 H ATOM 858 HG23 THR A 58 -6.227 10.773 -8.450 1.00 0.00 H ATOM 859 N LYS A 59 -3.346 8.515 -8.408 1.00 0.00 N ATOM 860 CA LYS A 59 -2.667 8.469 -9.692 1.00 0.00 C ATOM 861 C LYS A 59 -2.521 7.011 -10.134 1.00 0.00 C ATOM 862 O LYS A 59 -1.407 6.503 -10.251 1.00 0.00 O ATOM 863 CB LYS A 59 -1.339 9.227 -9.624 1.00 0.00 C ATOM 864 CG LYS A 59 -0.706 9.348 -11.011 1.00 0.00 C ATOM 865 CD LYS A 59 0.808 9.549 -10.907 1.00 0.00 C ATOM 866 CE LYS A 59 1.392 10.015 -12.242 1.00 0.00 C ATOM 867 NZ LYS A 59 2.864 10.135 -12.150 1.00 0.00 N ATOM 868 H LYS A 59 -2.742 8.544 -7.612 1.00 0.00 H ATOM 869 HA LYS A 59 -3.297 8.988 -10.414 1.00 0.00 H ATOM 870 HB2 LYS A 59 -1.504 10.220 -9.207 1.00 0.00 H ATOM 871 HB3 LYS A 59 -0.655 8.709 -8.952 1.00 0.00 H ATOM 872 HG2 LYS A 59 -0.918 8.451 -11.592 1.00 0.00 H ATOM 873 HG3 LYS A 59 -1.151 10.187 -11.546 1.00 0.00 H ATOM 874 HD2 LYS A 59 1.028 10.284 -10.133 1.00 0.00 H ATOM 875 HD3 LYS A 59 1.282 8.616 -10.605 1.00 0.00 H ATOM 876 HE2 LYS A 59 1.127 9.309 -13.028 1.00 0.00 H ATOM 877 HE3 LYS A 59 0.960 10.977 -12.519 1.00 0.00 H ATOM 878 HZ1 LYS A 59 3.127 11.096 -12.237 1.00 0.00 H ATOM 879 HZ2 LYS A 59 3.172 9.783 -11.266 1.00 0.00 H ATOM 880 HZ3 LYS A 59 3.288 9.605 -12.885 1.00 0.00 H ATOM 881 N LEU A 60 -3.662 6.380 -10.369 1.00 0.00 N ATOM 882 CA LEU A 60 -3.675 4.992 -10.796 1.00 0.00 C ATOM 883 C LEU A 60 -2.549 4.762 -11.806 1.00 0.00 C ATOM 884 O LEU A 60 -2.672 5.133 -12.973 1.00 0.00 O ATOM 885 CB LEU A 60 -5.060 4.606 -11.320 1.00 0.00 C ATOM 886 CG LEU A 60 -5.906 5.749 -11.884 1.00 0.00 C ATOM 887 CD1 LEU A 60 -6.575 5.340 -13.198 1.00 0.00 C ATOM 888 CD2 LEU A 60 -6.924 6.238 -10.851 1.00 0.00 C ATOM 889 H LEU A 60 -4.564 6.801 -10.271 1.00 0.00 H ATOM 890 HA LEU A 60 -3.481 4.378 -9.917 1.00 0.00 H ATOM 891 HB2 LEU A 60 -4.935 3.854 -12.100 1.00 0.00 H ATOM 892 HB3 LEU A 60 -5.615 4.134 -10.509 1.00 0.00 H ATOM 893 HG LEU A 60 -5.245 6.586 -12.106 1.00 0.00 H ATOM 894 HD11 LEU A 60 -6.578 4.253 -13.281 1.00 0.00 H ATOM 895 HD12 LEU A 60 -7.600 5.709 -13.214 1.00 0.00 H ATOM 896 HD13 LEU A 60 -6.022 5.767 -14.035 1.00 0.00 H ATOM 897 HD21 LEU A 60 -7.930 6.140 -11.258 1.00 0.00 H ATOM 898 HD22 LEU A 60 -6.838 5.639 -9.945 1.00 0.00 H ATOM 899 HD23 LEU A 60 -6.728 7.284 -10.616 1.00 0.00 H ATOM 900 N ALA A 61 -1.478 4.153 -11.321 1.00 0.00 N ATOM 901 CA ALA A 61 -0.331 3.870 -12.167 1.00 0.00 C ATOM 902 C ALA A 61 -0.627 2.638 -13.025 1.00 0.00 C ATOM 903 O ALA A 61 -0.489 1.507 -12.561 1.00 0.00 O ATOM 904 CB ALA A 61 0.914 3.688 -11.296 1.00 0.00 C ATOM 905 H ALA A 61 -1.386 3.855 -10.371 1.00 0.00 H ATOM 906 HA ALA A 61 -0.180 4.730 -12.820 1.00 0.00 H ATOM 907 HB1 ALA A 61 1.788 3.555 -11.934 1.00 0.00 H ATOM 908 HB2 ALA A 61 1.052 4.571 -10.671 1.00 0.00 H ATOM 909 HB3 ALA A 61 0.789 2.810 -10.663 1.00 0.00 H ATOM 910 N ILE A 62 -1.028 2.900 -14.260 1.00 0.00 N ATOM 911 CA ILE A 62 -1.344 1.826 -15.187 1.00 0.00 C ATOM 912 C ILE A 62 -0.059 1.083 -15.558 1.00 0.00 C ATOM 913 O ILE A 62 -0.026 -0.146 -15.556 1.00 0.00 O ATOM 914 CB ILE A 62 -2.111 2.369 -16.394 1.00 0.00 C ATOM 915 CG1 ILE A 62 -3.307 3.214 -15.950 1.00 0.00 C ATOM 916 CG2 ILE A 62 -2.527 1.237 -17.335 1.00 0.00 C ATOM 917 CD1 ILE A 62 -4.525 2.333 -15.666 1.00 0.00 C ATOM 918 H ILE A 62 -1.137 3.822 -14.629 1.00 0.00 H ATOM 919 HA ILE A 62 -2.007 1.133 -14.670 1.00 0.00 H ATOM 920 HB ILE A 62 -1.445 3.025 -16.955 1.00 0.00 H ATOM 921 HG12 ILE A 62 -3.045 3.779 -15.055 1.00 0.00 H ATOM 922 HG13 ILE A 62 -3.552 3.941 -16.725 1.00 0.00 H ATOM 923 HG21 ILE A 62 -2.786 0.355 -16.749 1.00 0.00 H ATOM 924 HG22 ILE A 62 -3.391 1.550 -17.921 1.00 0.00 H ATOM 925 HG23 ILE A 62 -1.701 0.998 -18.004 1.00 0.00 H ATOM 926 HD11 ILE A 62 -5.126 2.242 -16.570 1.00 0.00 H ATOM 927 HD12 ILE A 62 -4.193 1.344 -15.350 1.00 0.00 H ATOM 928 HD13 ILE A 62 -5.124 2.785 -14.875 1.00 0.00 H ATOM 929 N ALA A 63 0.968 1.861 -15.868 1.00 0.00 N ATOM 930 CA ALA A 63 2.252 1.292 -16.240 1.00 0.00 C ATOM 931 C ALA A 63 2.807 0.485 -15.065 1.00 0.00 C ATOM 932 O ALA A 63 3.174 1.052 -14.036 1.00 0.00 O ATOM 933 CB ALA A 63 3.198 2.411 -16.678 1.00 0.00 C ATOM 934 H ALA A 63 0.933 2.860 -15.867 1.00 0.00 H ATOM 935 HA ALA A 63 2.086 0.622 -17.084 1.00 0.00 H ATOM 936 HB1 ALA A 63 3.416 2.307 -17.741 1.00 0.00 H ATOM 937 HB2 ALA A 63 2.728 3.377 -16.497 1.00 0.00 H ATOM 938 HB3 ALA A 63 4.126 2.346 -16.109 1.00 0.00 H ATOM 939 N PRO A 64 2.854 -0.860 -15.261 1.00 0.00 N ATOM 940 CA PRO A 64 3.359 -1.750 -14.230 1.00 0.00 C ATOM 941 C PRO A 64 4.884 -1.676 -14.140 1.00 0.00 C ATOM 942 O PRO A 64 5.567 -1.615 -15.161 1.00 0.00 O ATOM 943 CB PRO A 64 2.853 -3.130 -14.619 1.00 0.00 C ATOM 944 CG PRO A 64 2.481 -3.038 -16.090 1.00 0.00 C ATOM 945 CD PRO A 64 2.428 -1.566 -16.467 1.00 0.00 C ATOM 946 HA PRO A 64 3.018 -1.470 -13.333 1.00 0.00 H ATOM 947 HB2 PRO A 64 3.620 -3.887 -14.457 1.00 0.00 H ATOM 948 HB3 PRO A 64 1.991 -3.415 -14.016 1.00 0.00 H ATOM 949 HG2 PRO A 64 3.214 -3.562 -16.703 1.00 0.00 H ATOM 950 HG3 PRO A 64 1.516 -3.512 -16.270 1.00 0.00 H ATOM 951 HD2 PRO A 64 3.088 -1.348 -17.307 1.00 0.00 H ATOM 952 HD3 PRO A 64 1.423 -1.269 -16.765 1.00 0.00 H ATOM 953 N GLY A 65 5.374 -1.684 -12.909 1.00 0.00 N ATOM 954 CA GLY A 65 6.806 -1.618 -12.673 1.00 0.00 C ATOM 955 C GLY A 65 7.106 -1.366 -11.194 1.00 0.00 C ATOM 956 O GLY A 65 7.637 -2.238 -10.507 1.00 0.00 O ATOM 957 H GLY A 65 4.811 -1.734 -12.084 1.00 0.00 H ATOM 958 HA2 GLY A 65 7.273 -2.551 -12.989 1.00 0.00 H ATOM 959 HA3 GLY A 65 7.241 -0.822 -13.277 1.00 0.00 H ATOM 960 N SER A 66 6.754 -0.170 -10.747 1.00 0.00 N ATOM 961 CA SER A 66 6.979 0.208 -9.362 1.00 0.00 C ATOM 962 C SER A 66 6.451 1.622 -9.113 1.00 0.00 C ATOM 963 O SER A 66 7.135 2.603 -9.400 1.00 0.00 O ATOM 964 CB SER A 66 8.464 0.124 -9.003 1.00 0.00 C ATOM 965 OG SER A 66 8.690 0.338 -7.612 1.00 0.00 O ATOM 966 H SER A 66 6.323 0.534 -11.312 1.00 0.00 H ATOM 967 HA SER A 66 6.422 -0.518 -8.770 1.00 0.00 H ATOM 968 HB2 SER A 66 8.851 -0.854 -9.287 1.00 0.00 H ATOM 969 HB3 SER A 66 9.018 0.866 -9.578 1.00 0.00 H ATOM 970 HG SER A 66 9.246 1.158 -7.478 1.00 0.00 H ATOM 971 N PHE A 67 5.240 1.682 -8.580 1.00 0.00 N ATOM 972 CA PHE A 67 4.612 2.960 -8.289 1.00 0.00 C ATOM 973 C PHE A 67 5.637 3.966 -7.763 1.00 0.00 C ATOM 974 O PHE A 67 6.205 4.740 -8.532 1.00 0.00 O ATOM 975 CB PHE A 67 3.562 2.706 -7.206 1.00 0.00 C ATOM 976 CG PHE A 67 2.143 2.517 -7.748 1.00 0.00 C ATOM 977 CD1 PHE A 67 1.710 1.277 -8.101 1.00 0.00 C ATOM 978 CD2 PHE A 67 1.315 3.588 -7.875 1.00 0.00 C ATOM 979 CE1 PHE A 67 0.394 1.101 -8.604 1.00 0.00 C ATOM 980 CE2 PHE A 67 -0.001 3.412 -8.378 1.00 0.00 C ATOM 981 CZ PHE A 67 -0.434 2.172 -8.731 1.00 0.00 C ATOM 982 H PHE A 67 4.690 0.879 -8.349 1.00 0.00 H ATOM 983 HA PHE A 67 4.187 3.331 -9.221 1.00 0.00 H ATOM 984 HB2 PHE A 67 3.845 1.819 -6.640 1.00 0.00 H ATOM 985 HB3 PHE A 67 3.564 3.543 -6.508 1.00 0.00 H ATOM 986 HD1 PHE A 67 2.374 0.418 -7.999 1.00 0.00 H ATOM 987 HD2 PHE A 67 1.662 4.582 -7.592 1.00 0.00 H ATOM 988 HE1 PHE A 67 0.047 0.107 -8.887 1.00 0.00 H ATOM 989 HE2 PHE A 67 -0.665 4.271 -8.480 1.00 0.00 H ATOM 990 HZ PHE A 67 -1.445 2.038 -9.117 1.00 0.00 H ATOM 991 N TYR A 68 5.843 3.924 -6.454 1.00 0.00 N ATOM 992 CA TYR A 68 6.790 4.822 -5.816 1.00 0.00 C ATOM 993 C TYR A 68 7.003 4.442 -4.350 1.00 0.00 C ATOM 994 O TYR A 68 6.342 3.541 -3.836 1.00 0.00 O ATOM 995 CB TYR A 68 6.160 6.215 -5.883 1.00 0.00 C ATOM 996 CG TYR A 68 4.682 6.249 -5.490 1.00 0.00 C ATOM 997 CD1 TYR A 68 4.308 5.995 -4.187 1.00 0.00 C ATOM 998 CD2 TYR A 68 3.722 6.533 -6.441 1.00 0.00 C ATOM 999 CE1 TYR A 68 2.916 6.027 -3.817 1.00 0.00 C ATOM 1000 CE2 TYR A 68 2.330 6.565 -6.071 1.00 0.00 C ATOM 1001 CZ TYR A 68 1.996 6.311 -4.778 1.00 0.00 C ATOM 1002 OH TYR A 68 0.682 6.341 -4.429 1.00 0.00 O ATOM 1003 H TYR A 68 5.377 3.292 -5.835 1.00 0.00 H ATOM 1004 HA TYR A 68 7.739 4.743 -6.346 1.00 0.00 H ATOM 1005 HB2 TYR A 68 6.715 6.885 -5.227 1.00 0.00 H ATOM 1006 HB3 TYR A 68 6.265 6.602 -6.896 1.00 0.00 H ATOM 1007 HD1 TYR A 68 5.066 5.771 -3.436 1.00 0.00 H ATOM 1008 HD2 TYR A 68 4.017 6.734 -7.471 1.00 0.00 H ATOM 1009 HE1 TYR A 68 2.607 5.829 -2.791 1.00 0.00 H ATOM 1010 HE2 TYR A 68 1.562 6.788 -6.812 1.00 0.00 H ATOM 1011 HH TYR A 68 0.588 6.617 -3.473 1.00 0.00 H ATOM 1012 N SER A 69 7.930 5.148 -3.717 1.00 0.00 N ATOM 1013 CA SER A 69 8.239 4.895 -2.320 1.00 0.00 C ATOM 1014 C SER A 69 7.971 6.152 -1.490 1.00 0.00 C ATOM 1015 O SER A 69 7.890 7.253 -2.032 1.00 0.00 O ATOM 1016 CB SER A 69 9.691 4.446 -2.150 1.00 0.00 C ATOM 1017 OG SER A 69 10.523 4.914 -3.208 1.00 0.00 O ATOM 1018 H SER A 69 8.463 5.878 -4.143 1.00 0.00 H ATOM 1019 HA SER A 69 7.572 4.088 -2.018 1.00 0.00 H ATOM 1020 HB2 SER A 69 10.075 4.814 -1.198 1.00 0.00 H ATOM 1021 HB3 SER A 69 9.732 3.358 -2.111 1.00 0.00 H ATOM 1022 HG SER A 69 11.423 4.483 -3.153 1.00 0.00 H ATOM 1023 N VAL A 70 7.841 5.946 -0.188 1.00 0.00 N ATOM 1024 CA VAL A 70 7.584 7.048 0.723 1.00 0.00 C ATOM 1025 C VAL A 70 8.104 6.687 2.115 1.00 0.00 C ATOM 1026 O VAL A 70 7.924 5.561 2.576 1.00 0.00 O ATOM 1027 CB VAL A 70 6.094 7.398 0.714 1.00 0.00 C ATOM 1028 CG1 VAL A 70 5.731 8.217 -0.526 1.00 0.00 C ATOM 1029 CG2 VAL A 70 5.234 6.136 0.809 1.00 0.00 C ATOM 1030 H VAL A 70 7.908 5.047 0.246 1.00 0.00 H ATOM 1031 HA VAL A 70 8.136 7.914 0.356 1.00 0.00 H ATOM 1032 HB VAL A 70 5.888 8.011 1.592 1.00 0.00 H ATOM 1033 HG11 VAL A 70 6.539 8.913 -0.752 1.00 0.00 H ATOM 1034 HG12 VAL A 70 5.580 7.547 -1.373 1.00 0.00 H ATOM 1035 HG13 VAL A 70 4.813 8.775 -0.337 1.00 0.00 H ATOM 1036 HG21 VAL A 70 5.201 5.645 -0.163 1.00 0.00 H ATOM 1037 HG22 VAL A 70 5.666 5.457 1.545 1.00 0.00 H ATOM 1038 HG23 VAL A 70 4.223 6.408 1.114 1.00 0.00 H ATOM 1039 N THR A 71 8.741 7.663 2.746 1.00 0.00 N ATOM 1040 CA THR A 71 9.289 7.461 4.077 1.00 0.00 C ATOM 1041 C THR A 71 8.290 7.921 5.140 1.00 0.00 C ATOM 1042 O THR A 71 7.545 8.876 4.926 1.00 0.00 O ATOM 1043 CB THR A 71 10.632 8.189 4.150 1.00 0.00 C ATOM 1044 OG1 THR A 71 11.547 7.293 3.524 1.00 0.00 O ATOM 1045 CG2 THR A 71 11.154 8.313 5.583 1.00 0.00 C ATOM 1046 H THR A 71 8.883 8.576 2.364 1.00 0.00 H ATOM 1047 HA THR A 71 9.445 6.393 4.226 1.00 0.00 H ATOM 1048 HB THR A 71 10.572 9.166 3.671 1.00 0.00 H ATOM 1049 HG1 THR A 71 11.810 7.645 2.626 1.00 0.00 H ATOM 1050 HG21 THR A 71 11.052 9.346 5.918 1.00 0.00 H ATOM 1051 HG22 THR A 71 10.577 7.660 6.237 1.00 0.00 H ATOM 1052 HG23 THR A 71 12.204 8.024 5.614 1.00 0.00 H ATOM 1053 N LEU A 72 8.307 7.220 6.265 1.00 0.00 N ATOM 1054 CA LEU A 72 7.411 7.544 7.362 1.00 0.00 C ATOM 1055 C LEU A 72 8.233 7.792 8.629 1.00 0.00 C ATOM 1056 O LEU A 72 9.445 7.580 8.638 1.00 0.00 O ATOM 1057 CB LEU A 72 6.346 6.458 7.523 1.00 0.00 C ATOM 1058 CG LEU A 72 5.301 6.373 6.408 1.00 0.00 C ATOM 1059 CD1 LEU A 72 4.497 5.075 6.509 1.00 0.00 C ATOM 1060 CD2 LEU A 72 4.399 7.608 6.407 1.00 0.00 C ATOM 1061 H LEU A 72 8.916 6.445 6.431 1.00 0.00 H ATOM 1062 HA LEU A 72 6.894 8.467 7.100 1.00 0.00 H ATOM 1063 HB2 LEU A 72 6.847 5.493 7.599 1.00 0.00 H ATOM 1064 HB3 LEU A 72 5.827 6.623 8.468 1.00 0.00 H ATOM 1065 HG LEU A 72 5.824 6.354 5.452 1.00 0.00 H ATOM 1066 HD11 LEU A 72 4.684 4.605 7.475 1.00 0.00 H ATOM 1067 HD12 LEU A 72 3.434 5.298 6.413 1.00 0.00 H ATOM 1068 HD13 LEU A 72 4.799 4.397 5.711 1.00 0.00 H ATOM 1069 HD21 LEU A 72 3.384 7.317 6.678 1.00 0.00 H ATOM 1070 HD22 LEU A 72 4.774 8.333 7.129 1.00 0.00 H ATOM 1071 HD23 LEU A 72 4.395 8.054 5.412 1.00 0.00 H ATOM 1072 N GLY A 73 7.541 8.237 9.667 1.00 0.00 N ATOM 1073 CA GLY A 73 8.192 8.516 10.936 1.00 0.00 C ATOM 1074 C GLY A 73 7.210 8.366 12.100 1.00 0.00 C ATOM 1075 O GLY A 73 7.544 7.774 13.126 1.00 0.00 O ATOM 1076 H GLY A 73 6.556 8.406 9.651 1.00 0.00 H ATOM 1077 HA2 GLY A 73 9.033 7.836 11.075 1.00 0.00 H ATOM 1078 HA3 GLY A 73 8.598 9.527 10.926 1.00 0.00 H ATOM 1079 N THR A 74 6.019 8.912 11.902 1.00 0.00 N ATOM 1080 CA THR A 74 4.987 8.846 12.923 1.00 0.00 C ATOM 1081 C THR A 74 4.763 7.397 13.362 1.00 0.00 C ATOM 1082 O THR A 74 4.478 6.531 12.536 1.00 0.00 O ATOM 1083 CB THR A 74 3.728 9.513 12.366 1.00 0.00 C ATOM 1084 OG1 THR A 74 3.810 10.856 12.837 1.00 0.00 O ATOM 1085 CG2 THR A 74 2.447 8.972 13.003 1.00 0.00 C ATOM 1086 H THR A 74 5.756 9.391 11.065 1.00 0.00 H ATOM 1087 HA THR A 74 5.334 9.395 13.798 1.00 0.00 H ATOM 1088 HB THR A 74 3.690 9.426 11.280 1.00 0.00 H ATOM 1089 HG1 THR A 74 4.011 11.473 12.076 1.00 0.00 H ATOM 1090 HG21 THR A 74 1.581 9.421 12.516 1.00 0.00 H ATOM 1091 HG22 THR A 74 2.411 7.889 12.884 1.00 0.00 H ATOM 1092 HG23 THR A 74 2.436 9.221 14.065 1.00 0.00 H ATOM 1093 N PRO A 75 4.903 7.173 14.696 1.00 0.00 N ATOM 1094 CA PRO A 75 4.719 5.845 15.255 1.00 0.00 C ATOM 1095 C PRO A 75 3.236 5.475 15.314 1.00 0.00 C ATOM 1096 O PRO A 75 2.393 6.320 15.612 1.00 0.00 O ATOM 1097 CB PRO A 75 5.372 5.901 16.626 1.00 0.00 C ATOM 1098 CG PRO A 75 5.485 7.376 16.974 1.00 0.00 C ATOM 1099 CD PRO A 75 5.239 8.174 15.704 1.00 0.00 C ATOM 1100 HA PRO A 75 5.149 5.158 14.668 1.00 0.00 H ATOM 1101 HB2 PRO A 75 4.773 5.370 17.366 1.00 0.00 H ATOM 1102 HB3 PRO A 75 6.353 5.427 16.612 1.00 0.00 H ATOM 1103 HG2 PRO A 75 4.759 7.645 17.740 1.00 0.00 H ATOM 1104 HG3 PRO A 75 6.473 7.598 17.379 1.00 0.00 H ATOM 1105 HD2 PRO A 75 4.428 8.890 15.837 1.00 0.00 H ATOM 1106 HD3 PRO A 75 6.123 8.744 15.416 1.00 0.00 H ATOM 1107 N GLY A 76 2.961 4.212 15.024 1.00 0.00 N ATOM 1108 CA GLY A 76 1.594 3.720 15.040 1.00 0.00 C ATOM 1109 C GLY A 76 1.349 2.742 13.889 1.00 0.00 C ATOM 1110 O GLY A 76 2.259 2.449 13.115 1.00 0.00 O ATOM 1111 H GLY A 76 3.653 3.531 14.782 1.00 0.00 H ATOM 1112 HA2 GLY A 76 1.393 3.225 15.991 1.00 0.00 H ATOM 1113 HA3 GLY A 76 0.902 4.558 14.964 1.00 0.00 H ATOM 1114 N THR A 77 0.116 2.265 13.812 1.00 0.00 N ATOM 1115 CA THR A 77 -0.260 1.327 12.768 1.00 0.00 C ATOM 1116 C THR A 77 -1.098 2.029 11.697 1.00 0.00 C ATOM 1117 O THR A 77 -2.166 2.563 11.991 1.00 0.00 O ATOM 1118 CB THR A 77 -0.981 0.149 13.428 1.00 0.00 C ATOM 1119 OG1 THR A 77 0.037 -0.500 14.185 1.00 0.00 O ATOM 1120 CG2 THR A 77 -1.424 -0.908 12.415 1.00 0.00 C ATOM 1121 H THR A 77 -0.619 2.509 14.446 1.00 0.00 H ATOM 1122 HA THR A 77 0.648 0.972 12.282 1.00 0.00 H ATOM 1123 HB THR A 77 -1.825 0.495 14.025 1.00 0.00 H ATOM 1124 HG1 THR A 77 -0.269 -1.412 14.458 1.00 0.00 H ATOM 1125 HG21 THR A 77 -1.935 -1.718 12.935 1.00 0.00 H ATOM 1126 HG22 THR A 77 -2.102 -0.456 11.691 1.00 0.00 H ATOM 1127 HG23 THR A 77 -0.550 -1.303 11.897 1.00 0.00 H ATOM 1128 N TYR A 78 -0.581 2.004 10.477 1.00 0.00 N ATOM 1129 CA TYR A 78 -1.268 2.631 9.361 1.00 0.00 C ATOM 1130 C TYR A 78 -2.084 1.604 8.573 1.00 0.00 C ATOM 1131 O TYR A 78 -1.640 0.475 8.371 1.00 0.00 O ATOM 1132 CB TYR A 78 -0.172 3.197 8.456 1.00 0.00 C ATOM 1133 CG TYR A 78 0.601 4.366 9.070 1.00 0.00 C ATOM 1134 CD1 TYR A 78 1.336 4.177 10.223 1.00 0.00 C ATOM 1135 CD2 TYR A 78 0.563 5.609 8.472 1.00 0.00 C ATOM 1136 CE1 TYR A 78 2.063 5.277 10.801 1.00 0.00 C ATOM 1137 CE2 TYR A 78 1.290 6.709 9.050 1.00 0.00 C ATOM 1138 CZ TYR A 78 2.004 6.489 10.186 1.00 0.00 C ATOM 1139 OH TYR A 78 2.691 7.528 10.732 1.00 0.00 O ATOM 1140 H TYR A 78 0.288 1.567 10.247 1.00 0.00 H ATOM 1141 HA TYR A 78 -1.941 3.388 9.763 1.00 0.00 H ATOM 1142 HB2 TYR A 78 0.530 2.400 8.210 1.00 0.00 H ATOM 1143 HB3 TYR A 78 -0.622 3.525 7.519 1.00 0.00 H ATOM 1144 HD1 TYR A 78 1.366 3.196 10.696 1.00 0.00 H ATOM 1145 HD2 TYR A 78 -0.018 5.758 7.561 1.00 0.00 H ATOM 1146 HE1 TYR A 78 2.647 5.142 11.711 1.00 0.00 H ATOM 1147 HE2 TYR A 78 1.268 7.696 8.587 1.00 0.00 H ATOM 1148 HH TYR A 78 3.392 7.847 10.095 1.00 0.00 H ATOM 1149 N SER A 79 -3.264 2.033 8.149 1.00 0.00 N ATOM 1150 CA SER A 79 -4.146 1.165 7.387 1.00 0.00 C ATOM 1151 C SER A 79 -4.502 1.822 6.052 1.00 0.00 C ATOM 1152 O SER A 79 -4.641 3.042 5.974 1.00 0.00 O ATOM 1153 CB SER A 79 -5.417 0.844 8.176 1.00 0.00 C ATOM 1154 OG SER A 79 -5.858 1.953 8.954 1.00 0.00 O ATOM 1155 H SER A 79 -3.618 2.953 8.317 1.00 0.00 H ATOM 1156 HA SER A 79 -3.579 0.249 7.224 1.00 0.00 H ATOM 1157 HB2 SER A 79 -6.207 0.549 7.485 1.00 0.00 H ATOM 1158 HB3 SER A 79 -5.232 -0.007 8.831 1.00 0.00 H ATOM 1159 HG SER A 79 -6.002 2.748 8.365 1.00 0.00 H ATOM 1160 N PHE A 80 -4.639 0.985 5.035 1.00 0.00 N ATOM 1161 CA PHE A 80 -4.975 1.469 3.707 1.00 0.00 C ATOM 1162 C PHE A 80 -5.854 0.461 2.963 1.00 0.00 C ATOM 1163 O PHE A 80 -6.313 -0.519 3.548 1.00 0.00 O ATOM 1164 CB PHE A 80 -3.659 1.639 2.946 1.00 0.00 C ATOM 1165 CG PHE A 80 -2.729 0.427 3.032 1.00 0.00 C ATOM 1166 CD1 PHE A 80 -2.141 0.104 4.215 1.00 0.00 C ATOM 1167 CD2 PHE A 80 -2.491 -0.327 1.926 1.00 0.00 C ATOM 1168 CE1 PHE A 80 -1.278 -1.021 4.295 1.00 0.00 C ATOM 1169 CE2 PHE A 80 -1.628 -1.452 2.006 1.00 0.00 C ATOM 1170 CZ PHE A 80 -1.040 -1.775 3.189 1.00 0.00 C ATOM 1171 H PHE A 80 -4.524 -0.006 5.107 1.00 0.00 H ATOM 1172 HA PHE A 80 -5.523 2.403 3.832 1.00 0.00 H ATOM 1173 HB2 PHE A 80 -3.881 1.840 1.898 1.00 0.00 H ATOM 1174 HB3 PHE A 80 -3.137 2.513 3.335 1.00 0.00 H ATOM 1175 HD1 PHE A 80 -2.332 0.708 5.102 1.00 0.00 H ATOM 1176 HD2 PHE A 80 -2.962 -0.069 0.978 1.00 0.00 H ATOM 1177 HE1 PHE A 80 -0.807 -1.280 5.243 1.00 0.00 H ATOM 1178 HE2 PHE A 80 -1.437 -2.057 1.119 1.00 0.00 H ATOM 1179 HZ PHE A 80 -0.377 -2.639 3.251 1.00 0.00 H ATOM 1180 N TYR A 81 -6.063 0.738 1.684 1.00 0.00 N ATOM 1181 CA TYR A 81 -6.879 -0.132 0.854 1.00 0.00 C ATOM 1182 C TYR A 81 -6.806 0.286 -0.616 1.00 0.00 C ATOM 1183 O TYR A 81 -6.349 1.384 -0.931 1.00 0.00 O ATOM 1184 CB TYR A 81 -8.317 0.040 1.349 1.00 0.00 C ATOM 1185 CG TYR A 81 -8.873 1.454 1.169 1.00 0.00 C ATOM 1186 CD1 TYR A 81 -9.232 1.899 -0.087 1.00 0.00 C ATOM 1187 CD2 TYR A 81 -9.014 2.284 2.262 1.00 0.00 C ATOM 1188 CE1 TYR A 81 -9.755 3.230 -0.256 1.00 0.00 C ATOM 1189 CE2 TYR A 81 -9.537 3.615 2.093 1.00 0.00 C ATOM 1190 CZ TYR A 81 -9.882 4.022 0.842 1.00 0.00 C ATOM 1191 OH TYR A 81 -10.376 5.279 0.682 1.00 0.00 O ATOM 1192 H TYR A 81 -5.687 1.538 1.216 1.00 0.00 H ATOM 1193 HA TYR A 81 -6.498 -1.148 0.955 1.00 0.00 H ATOM 1194 HB2 TYR A 81 -8.959 -0.662 0.818 1.00 0.00 H ATOM 1195 HB3 TYR A 81 -8.360 -0.225 2.406 1.00 0.00 H ATOM 1196 HD1 TYR A 81 -9.120 1.243 -0.950 1.00 0.00 H ATOM 1197 HD2 TYR A 81 -8.730 1.932 3.254 1.00 0.00 H ATOM 1198 HE1 TYR A 81 -10.043 3.594 -1.242 1.00 0.00 H ATOM 1199 HE2 TYR A 81 -9.654 4.281 2.948 1.00 0.00 H ATOM 1200 HH TYR A 81 -9.804 5.936 1.173 1.00 0.00 H ATOM 1201 N CYS A 82 -7.262 -0.611 -1.477 1.00 0.00 N ATOM 1202 CA CYS A 82 -7.254 -0.349 -2.906 1.00 0.00 C ATOM 1203 C CYS A 82 -8.613 0.236 -3.295 1.00 0.00 C ATOM 1204 O CYS A 82 -9.649 -0.387 -3.068 1.00 0.00 O ATOM 1205 CB CYS A 82 -6.924 -1.608 -3.710 1.00 0.00 C ATOM 1206 SG CYS A 82 -5.781 -1.344 -5.115 1.00 0.00 S ATOM 1207 H CYS A 82 -7.632 -1.502 -1.213 1.00 0.00 H ATOM 1208 HA CYS A 82 -6.457 0.371 -3.088 1.00 0.00 H ATOM 1209 HB2 CYS A 82 -6.487 -2.347 -3.038 1.00 0.00 H ATOM 1210 HB3 CYS A 82 -7.852 -2.034 -4.091 1.00 0.00 H ATOM 1211 N THR A 83 -8.565 1.426 -3.875 1.00 0.00 N ATOM 1212 CA THR A 83 -9.780 2.102 -4.297 1.00 0.00 C ATOM 1213 C THR A 83 -10.640 1.169 -5.153 1.00 0.00 C ATOM 1214 O THR A 83 -11.831 1.005 -4.893 1.00 0.00 O ATOM 1215 CB THR A 83 -9.378 3.390 -5.019 1.00 0.00 C ATOM 1216 OG1 THR A 83 -9.644 4.418 -4.070 1.00 0.00 O ATOM 1217 CG2 THR A 83 -10.304 3.717 -6.193 1.00 0.00 C ATOM 1218 H THR A 83 -7.719 1.926 -4.056 1.00 0.00 H ATOM 1219 HA THR A 83 -10.362 2.349 -3.410 1.00 0.00 H ATOM 1220 HB THR A 83 -8.339 3.345 -5.344 1.00 0.00 H ATOM 1221 HG1 THR A 83 -10.631 4.528 -3.952 1.00 0.00 H ATOM 1222 HG21 THR A 83 -10.170 2.975 -6.979 1.00 0.00 H ATOM 1223 HG22 THR A 83 -11.340 3.703 -5.853 1.00 0.00 H ATOM 1224 HG23 THR A 83 -10.062 4.706 -6.581 1.00 0.00 H ATOM 1225 N PRO A 84 -9.985 0.566 -6.181 1.00 0.00 N ATOM 1226 CA PRO A 84 -10.677 -0.346 -7.076 1.00 0.00 C ATOM 1227 C PRO A 84 -10.926 -1.695 -6.398 1.00 0.00 C ATOM 1228 O PRO A 84 -12.073 -2.096 -6.209 1.00 0.00 O ATOM 1229 CB PRO A 84 -9.780 -0.452 -8.299 1.00 0.00 C ATOM 1230 CG PRO A 84 -8.410 0.032 -7.854 1.00 0.00 C ATOM 1231 CD PRO A 84 -8.575 0.737 -6.518 1.00 0.00 C ATOM 1232 HA PRO A 84 -11.580 0.014 -7.309 1.00 0.00 H ATOM 1233 HB2 PRO A 84 -9.734 -1.479 -8.661 1.00 0.00 H ATOM 1234 HB3 PRO A 84 -10.163 0.157 -9.118 1.00 0.00 H ATOM 1235 HG2 PRO A 84 -7.720 -0.808 -7.760 1.00 0.00 H ATOM 1236 HG3 PRO A 84 -7.986 0.711 -8.594 1.00 0.00 H ATOM 1237 HD2 PRO A 84 -7.930 0.298 -5.756 1.00 0.00 H ATOM 1238 HD3 PRO A 84 -8.310 1.791 -6.591 1.00 0.00 H ATOM 1239 N HIS A 85 -9.832 -2.358 -6.052 1.00 0.00 N ATOM 1240 CA HIS A 85 -9.918 -3.654 -5.400 1.00 0.00 C ATOM 1241 C HIS A 85 -10.334 -3.466 -3.939 1.00 0.00 C ATOM 1242 O HIS A 85 -9.621 -3.885 -3.028 1.00 0.00 O ATOM 1243 CB HIS A 85 -8.604 -4.424 -5.548 1.00 0.00 C ATOM 1244 CG HIS A 85 -8.073 -4.467 -6.961 1.00 0.00 C ATOM 1245 ND1 HIS A 85 -6.899 -3.841 -7.339 1.00 0.00 N ATOM 1246 CD2 HIS A 85 -8.568 -5.068 -8.081 1.00 0.00 C ATOM 1247 CE1 HIS A 85 -6.705 -4.061 -8.631 1.00 0.00 C ATOM 1248 NE2 HIS A 85 -7.741 -4.821 -9.089 1.00 0.00 N ATOM 1249 H HIS A 85 -8.903 -2.025 -6.210 1.00 0.00 H ATOM 1250 HA HIS A 85 -10.693 -4.215 -5.921 1.00 0.00 H ATOM 1251 HB2 HIS A 85 -7.853 -3.969 -4.902 1.00 0.00 H ATOM 1252 HB3 HIS A 85 -8.752 -5.445 -5.195 1.00 0.00 H ATOM 1253 HD2 HIS A 85 -9.486 -5.652 -8.138 1.00 0.00 H ATOM 1254 HE1 HIS A 85 -5.866 -3.698 -9.225 1.00 0.00 H ATOM 1255 HE2 HIS A 85 -7.829 -5.187 -10.016 1.00 0.00 H ATOM 1256 N ARG A 86 -11.487 -2.837 -3.762 1.00 0.00 N ATOM 1257 CA ARG A 86 -12.007 -2.590 -2.428 1.00 0.00 C ATOM 1258 C ARG A 86 -12.847 -3.778 -1.957 1.00 0.00 C ATOM 1259 O ARG A 86 -12.799 -4.152 -0.786 1.00 0.00 O ATOM 1260 CB ARG A 86 -12.865 -1.323 -2.398 1.00 0.00 C ATOM 1261 CG ARG A 86 -14.140 -1.505 -3.224 1.00 0.00 C ATOM 1262 CD ARG A 86 -14.921 -0.193 -3.321 1.00 0.00 C ATOM 1263 NE ARG A 86 -16.293 -0.456 -3.811 1.00 0.00 N ATOM 1264 CZ ARG A 86 -17.270 0.460 -3.835 1.00 0.00 C ATOM 1265 NH1 ARG A 86 -17.034 1.704 -3.396 1.00 0.00 N ATOM 1266 NH2 ARG A 86 -18.485 0.132 -4.296 1.00 0.00 N ATOM 1267 H ARG A 86 -12.060 -2.500 -4.509 1.00 0.00 H ATOM 1268 HA ARG A 86 -11.122 -2.463 -1.804 1.00 0.00 H ATOM 1269 HB2 ARG A 86 -13.126 -1.081 -1.367 1.00 0.00 H ATOM 1270 HB3 ARG A 86 -12.291 -0.482 -2.787 1.00 0.00 H ATOM 1271 HG2 ARG A 86 -13.883 -1.855 -4.223 1.00 0.00 H ATOM 1272 HG3 ARG A 86 -14.766 -2.272 -2.768 1.00 0.00 H ATOM 1273 HD2 ARG A 86 -14.961 0.290 -2.345 1.00 0.00 H ATOM 1274 HD3 ARG A 86 -14.411 0.494 -3.996 1.00 0.00 H ATOM 1275 HE ARG A 86 -16.503 -1.375 -4.145 1.00 0.00 H ATOM 1276 HH11 ARG A 86 -16.128 1.949 -3.052 1.00 0.00 H ATOM 1277 HH12 ARG A 86 -17.764 2.387 -3.414 1.00 0.00 H ATOM 1278 HH21 ARG A 86 -18.661 -0.797 -4.623 1.00 0.00 H ATOM 1279 HH22 ARG A 86 -19.215 0.815 -4.314 1.00 0.00 H ATOM 1280 N GLY A 87 -13.598 -4.340 -2.894 1.00 0.00 N ATOM 1281 CA GLY A 87 -14.448 -5.478 -2.589 1.00 0.00 C ATOM 1282 C GLY A 87 -13.693 -6.794 -2.788 1.00 0.00 C ATOM 1283 O GLY A 87 -14.047 -7.812 -2.195 1.00 0.00 O ATOM 1284 H GLY A 87 -13.631 -4.030 -3.844 1.00 0.00 H ATOM 1285 HA2 GLY A 87 -14.800 -5.408 -1.560 1.00 0.00 H ATOM 1286 HA3 GLY A 87 -15.330 -5.460 -3.229 1.00 0.00 H ATOM 1287 N ALA A 88 -12.668 -6.731 -3.624 1.00 0.00 N ATOM 1288 CA ALA A 88 -11.860 -7.905 -3.908 1.00 0.00 C ATOM 1289 C ALA A 88 -11.119 -8.329 -2.639 1.00 0.00 C ATOM 1290 O ALA A 88 -10.601 -9.441 -2.560 1.00 0.00 O ATOM 1291 CB ALA A 88 -10.907 -7.601 -5.066 1.00 0.00 C ATOM 1292 H ALA A 88 -12.387 -5.899 -4.102 1.00 0.00 H ATOM 1293 HA ALA A 88 -12.535 -8.707 -4.210 1.00 0.00 H ATOM 1294 HB1 ALA A 88 -10.619 -8.533 -5.553 1.00 0.00 H ATOM 1295 HB2 ALA A 88 -11.406 -6.954 -5.787 1.00 0.00 H ATOM 1296 HB3 ALA A 88 -10.018 -7.102 -4.683 1.00 0.00 H ATOM 1297 N GLY A 89 -11.092 -7.419 -1.676 1.00 0.00 N ATOM 1298 CA GLY A 89 -10.423 -7.684 -0.414 1.00 0.00 C ATOM 1299 C GLY A 89 -8.917 -7.440 -0.530 1.00 0.00 C ATOM 1300 O GLY A 89 -8.121 -8.365 -0.375 1.00 0.00 O ATOM 1301 H GLY A 89 -11.516 -6.516 -1.748 1.00 0.00 H ATOM 1302 HA2 GLY A 89 -10.839 -7.044 0.364 1.00 0.00 H ATOM 1303 HA3 GLY A 89 -10.606 -8.715 -0.111 1.00 0.00 H ATOM 1304 N MET A 90 -8.571 -6.190 -0.802 1.00 0.00 N ATOM 1305 CA MET A 90 -7.175 -5.813 -0.941 1.00 0.00 C ATOM 1306 C MET A 90 -6.800 -4.719 0.061 1.00 0.00 C ATOM 1307 O MET A 90 -6.653 -3.556 -0.311 1.00 0.00 O ATOM 1308 CB MET A 90 -6.921 -5.312 -2.364 1.00 0.00 C ATOM 1309 CG MET A 90 -5.451 -4.931 -2.557 1.00 0.00 C ATOM 1310 SD MET A 90 -4.919 -5.367 -4.204 1.00 0.00 S ATOM 1311 CE MET A 90 -3.392 -4.447 -4.290 1.00 0.00 C ATOM 1312 H MET A 90 -9.225 -5.444 -0.926 1.00 0.00 H ATOM 1313 HA MET A 90 -6.605 -6.718 -0.731 1.00 0.00 H ATOM 1314 HB2 MET A 90 -7.197 -6.085 -3.081 1.00 0.00 H ATOM 1315 HB3 MET A 90 -7.553 -4.448 -2.568 1.00 0.00 H ATOM 1316 HG2 MET A 90 -5.319 -3.862 -2.394 1.00 0.00 H ATOM 1317 HG3 MET A 90 -4.834 -5.444 -1.819 1.00 0.00 H ATOM 1318 HE1 MET A 90 -3.538 -3.556 -4.899 1.00 0.00 H ATOM 1319 HE2 MET A 90 -3.087 -4.154 -3.285 1.00 0.00 H ATOM 1320 HE3 MET A 90 -2.617 -5.070 -4.737 1.00 0.00 H ATOM 1321 N VAL A 91 -6.656 -5.131 1.312 1.00 0.00 N ATOM 1322 CA VAL A 91 -6.301 -4.200 2.370 1.00 0.00 C ATOM 1323 C VAL A 91 -5.036 -4.694 3.074 1.00 0.00 C ATOM 1324 O VAL A 91 -4.756 -5.892 3.087 1.00 0.00 O ATOM 1325 CB VAL A 91 -7.483 -4.016 3.323 1.00 0.00 C ATOM 1326 CG1 VAL A 91 -8.597 -3.199 2.665 1.00 0.00 C ATOM 1327 CG2 VAL A 91 -8.010 -5.367 3.811 1.00 0.00 C ATOM 1328 H VAL A 91 -6.777 -6.079 1.606 1.00 0.00 H ATOM 1329 HA VAL A 91 -6.090 -3.237 1.904 1.00 0.00 H ATOM 1330 HB VAL A 91 -7.130 -3.461 4.192 1.00 0.00 H ATOM 1331 HG11 VAL A 91 -8.312 -2.956 1.641 1.00 0.00 H ATOM 1332 HG12 VAL A 91 -9.519 -3.781 2.657 1.00 0.00 H ATOM 1333 HG13 VAL A 91 -8.753 -2.278 3.227 1.00 0.00 H ATOM 1334 HG21 VAL A 91 -8.473 -5.899 2.979 1.00 0.00 H ATOM 1335 HG22 VAL A 91 -7.183 -5.959 4.205 1.00 0.00 H ATOM 1336 HG23 VAL A 91 -8.749 -5.207 4.596 1.00 0.00 H ATOM 1337 N GLY A 92 -4.306 -3.746 3.643 1.00 0.00 N ATOM 1338 CA GLY A 92 -3.077 -4.070 4.348 1.00 0.00 C ATOM 1339 C GLY A 92 -2.847 -3.111 5.518 1.00 0.00 C ATOM 1340 O GLY A 92 -3.697 -2.273 5.815 1.00 0.00 O ATOM 1341 H GLY A 92 -4.540 -2.774 3.628 1.00 0.00 H ATOM 1342 HA2 GLY A 92 -3.124 -5.095 4.717 1.00 0.00 H ATOM 1343 HA3 GLY A 92 -2.234 -4.018 3.659 1.00 0.00 H ATOM 1344 N THR A 93 -1.693 -3.266 6.150 1.00 0.00 N ATOM 1345 CA THR A 93 -1.340 -2.424 7.281 1.00 0.00 C ATOM 1346 C THR A 93 0.159 -2.120 7.272 1.00 0.00 C ATOM 1347 O THR A 93 0.932 -2.810 6.610 1.00 0.00 O ATOM 1348 CB THR A 93 -1.810 -3.126 8.557 1.00 0.00 C ATOM 1349 OG1 THR A 93 -3.036 -3.747 8.180 1.00 0.00 O ATOM 1350 CG2 THR A 93 -2.214 -2.138 9.653 1.00 0.00 C ATOM 1351 H THR A 93 -1.007 -3.950 5.902 1.00 0.00 H ATOM 1352 HA THR A 93 -1.861 -1.472 7.176 1.00 0.00 H ATOM 1353 HB THR A 93 -1.054 -3.822 8.919 1.00 0.00 H ATOM 1354 HG1 THR A 93 -3.744 -3.054 8.046 1.00 0.00 H ATOM 1355 HG21 THR A 93 -1.330 -1.612 10.013 1.00 0.00 H ATOM 1356 HG22 THR A 93 -2.925 -1.417 9.249 1.00 0.00 H ATOM 1357 HG23 THR A 93 -2.676 -2.680 10.478 1.00 0.00 H ATOM 1358 N ILE A 94 0.525 -1.085 8.015 1.00 0.00 N ATOM 1359 CA ILE A 94 1.918 -0.681 8.101 1.00 0.00 C ATOM 1360 C ILE A 94 2.198 -0.126 9.498 1.00 0.00 C ATOM 1361 O ILE A 94 1.548 0.824 9.935 1.00 0.00 O ATOM 1362 CB ILE A 94 2.264 0.292 6.972 1.00 0.00 C ATOM 1363 CG1 ILE A 94 2.154 -0.390 5.607 1.00 0.00 C ATOM 1364 CG2 ILE A 94 3.643 0.918 7.190 1.00 0.00 C ATOM 1365 CD1 ILE A 94 2.345 0.618 4.472 1.00 0.00 C ATOM 1366 H ILE A 94 -0.111 -0.529 8.550 1.00 0.00 H ATOM 1367 HA ILE A 94 2.526 -1.573 7.955 1.00 0.00 H ATOM 1368 HB ILE A 94 1.536 1.104 6.985 1.00 0.00 H ATOM 1369 HG12 ILE A 94 2.903 -1.178 5.528 1.00 0.00 H ATOM 1370 HG13 ILE A 94 1.178 -0.868 5.512 1.00 0.00 H ATOM 1371 HG21 ILE A 94 3.757 1.187 8.240 1.00 0.00 H ATOM 1372 HG22 ILE A 94 4.415 0.200 6.913 1.00 0.00 H ATOM 1373 HG23 ILE A 94 3.738 1.811 6.573 1.00 0.00 H ATOM 1374 HD11 ILE A 94 1.419 1.172 4.318 1.00 0.00 H ATOM 1375 HD12 ILE A 94 3.144 1.312 4.734 1.00 0.00 H ATOM 1376 HD13 ILE A 94 2.609 0.089 3.557 1.00 0.00 H ATOM 1377 N THR A 95 3.165 -0.741 10.162 1.00 0.00 N ATOM 1378 CA THR A 95 3.539 -0.320 11.502 1.00 0.00 C ATOM 1379 C THR A 95 4.863 0.447 11.470 1.00 0.00 C ATOM 1380 O THR A 95 5.750 0.127 10.681 1.00 0.00 O ATOM 1381 CB THR A 95 3.578 -1.562 12.394 1.00 0.00 C ATOM 1382 OG1 THR A 95 2.287 -2.145 12.234 1.00 0.00 O ATOM 1383 CG2 THR A 95 3.647 -1.213 13.882 1.00 0.00 C ATOM 1384 H THR A 95 3.689 -1.512 9.800 1.00 0.00 H ATOM 1385 HA THR A 95 2.779 0.369 11.870 1.00 0.00 H ATOM 1386 HB THR A 95 4.399 -2.220 12.110 1.00 0.00 H ATOM 1387 HG1 THR A 95 2.048 -2.186 11.264 1.00 0.00 H ATOM 1388 HG21 THR A 95 4.585 -0.697 14.090 1.00 0.00 H ATOM 1389 HG22 THR A 95 2.811 -0.565 14.142 1.00 0.00 H ATOM 1390 HG23 THR A 95 3.597 -2.127 14.473 1.00 0.00 H ATOM 1391 N VAL A 96 4.953 1.444 12.337 1.00 0.00 N ATOM 1392 CA VAL A 96 6.153 2.259 12.418 1.00 0.00 C ATOM 1393 C VAL A 96 6.628 2.316 13.872 1.00 0.00 C ATOM 1394 O VAL A 96 6.476 3.339 14.538 1.00 0.00 O ATOM 1395 CB VAL A 96 5.887 3.642 11.821 1.00 0.00 C ATOM 1396 CG1 VAL A 96 6.890 4.670 12.351 1.00 0.00 C ATOM 1397 CG2 VAL A 96 5.909 3.593 10.292 1.00 0.00 C ATOM 1398 H VAL A 96 4.226 1.697 12.976 1.00 0.00 H ATOM 1399 HA VAL A 96 6.921 1.774 11.817 1.00 0.00 H ATOM 1400 HB VAL A 96 4.891 3.956 12.132 1.00 0.00 H ATOM 1401 HG11 VAL A 96 7.750 4.152 12.775 1.00 0.00 H ATOM 1402 HG12 VAL A 96 7.219 5.311 11.533 1.00 0.00 H ATOM 1403 HG13 VAL A 96 6.415 5.277 13.121 1.00 0.00 H ATOM 1404 HG21 VAL A 96 6.839 4.027 9.928 1.00 0.00 H ATOM 1405 HG22 VAL A 96 5.837 2.557 9.961 1.00 0.00 H ATOM 1406 HG23 VAL A 96 5.065 4.160 9.899 1.00 0.00 H ATOM 1407 N GLU A 97 7.193 1.205 14.320 1.00 0.00 N ATOM 1408 CA GLU A 97 7.691 1.116 15.682 1.00 0.00 C ATOM 1409 C GLU A 97 9.136 1.615 15.753 1.00 0.00 C ATOM 1410 O GLU A 97 9.488 2.384 16.646 1.00 0.00 O ATOM 1411 CB GLU A 97 7.578 -0.314 16.215 1.00 0.00 C ATOM 1412 CG GLU A 97 6.843 -0.343 17.556 1.00 0.00 C ATOM 1413 CD GLU A 97 7.519 -1.308 18.532 1.00 0.00 C ATOM 1414 OE1 GLU A 97 7.703 -2.479 18.135 1.00 0.00 O ATOM 1415 OE2 GLU A 97 7.836 -0.854 19.652 1.00 0.00 O ATOM 1416 OXT GLU A 97 9.934 1.157 14.799 1.00 0.00 O ATOM 1417 H GLU A 97 7.312 0.378 13.772 1.00 0.00 H ATOM 1418 HA GLU A 97 7.045 1.768 16.270 1.00 0.00 H ATOM 1419 HB2 GLU A 97 7.049 -0.934 15.492 1.00 0.00 H ATOM 1420 HB3 GLU A 97 8.574 -0.742 16.333 1.00 0.00 H ATOM 1421 HG2 GLU A 97 6.822 0.659 17.986 1.00 0.00 H ATOM 1422 HG3 GLU A 97 5.807 -0.644 17.400 1.00 0.00 H TER 1423 GLU A 97 HETATM 1424 CU CU1 A 110 -5.276 -3.315 -6.298 1.00 0.00 CU CONECT 580 1424 CONECT 1206 1424 CONECT 1245 1424 CONECT 1310 1424 CONECT 1424 580 1206 1245 1310 MASTER 103 0 1 1 7 0 2 6 1423 1 5 8 END