HEADER VIRAL PROTEIN 09-OCT-02 1MZT TITLE NMR STRUCTURE OF THE FD BACTERIOPHAGE PVIII COAT PROTEIN IN TITLE 2 LIPID BILAYER MEMBRANES COMPND MOL_ID: 1; COMPND 2 MOLECULE: MAJOR COAT PROTEIN PVIII; COMPND 3 CHAIN: A; COMPND 4 SYNONYM: FILAMENTOUS PHAGE CLONING VECTOR FD-TET SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROBACTERIA PHAGE FD; SOURCE 3 ORGANISM_TAXID: 10864 KEYWDS FD COAT PROTEIN, MEMBRANE-BOUND, PVIII, VIRAL PROTEIN EXPDTA SOLID-STATE NMR AUTHOR F.M.MARASSI,S.J.OPELLA REVDAT 3 24-FEB-09 1MZT 1 VERSN REVDAT 2 01-MAR-05 1MZT 1 JRNL REVDAT 1 27-NOV-02 1MZT 0 JRNL AUTH F.M.MARASSI,S.J.OPELLA JRNL TITL SIMULTANEOUS ASSIGNMENT AND STRUCTURE JRNL TITL 2 DETERMINATION OF A MEMBRANE PROTEIN FROM NMR JRNL TITL 3 ORIENTATIONAL RESTRAINTS JRNL REF PROTEIN SCI. V. 12 403 2003 JRNL REFN ISSN 0961-8368 JRNL PMID 12592011 JRNL DOI 10.1110/PS.0211503 REMARK 1 REMARK 1 REFERENCE 1 REMARK 1 AUTH F.M.MARASSI,S.J.OPELLA REMARK 1 TITL USING PISA PIES TO RESOLVE AMBIGUITIES IN ANGULAR REMARK 1 TITL 2 CONSTRAINTS FROM PISEMA SPECTRA OF ALIGNED PROTEINS REMARK 1 REF J.BIOMOL.NMR V. 23 239 2002 REMARK 1 REFN ISSN 0925-2738 REMARK 1 DOI 10.1023/A:1019887612018 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : BACKTOR 2 REMARK 3 AUTHORS : MARASSI, OPELLA REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: STRUCTURE CALCULATED FROM 40 REMARK 3 CHEMICAL SHIFT AND 40 DIPOLAR COUPLING RESTRAINTS REMARK 4 REMARK 4 1MZT COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 10-OCT-02. REMARK 100 THE RCSB ID CODE IS RCSB017341. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 296 REMARK 210 PH : 7 REMARK 210 IONIC STRENGTH : 0 REMARK 210 PRESSURE : AMBIENT REMARK 210 SAMPLE CONTENTS : 8 MG 15N-LABELED FD COAT REMARK 210 PROTEIN, 64 MG POPC, 16 MG REMARK 210 POPG, LIPID BILAYERS ORIENTED REMARK 210 ON GLASS SLIDES REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : 1H/15N PISEMA REMARK 210 SPECTROMETER FIELD STRENGTH : 400 MHZ REMARK 210 SPECTROMETER MODEL : CMX REMARK 210 SPECTROMETER MANUFACTURER : CHEMAGNETICS REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : CMXW 95, FELIX 95, BACKTOR 2 REMARK 210 METHOD USED : CALCULATION OF BOND REMARK 210 ORIENTATIONS AND DIHEDRAL REMARK 210 ANGLES FROM SOLID-STATE NMR REMARK 210 RESTRAINTS, FOLLOWED BY BACK- REMARK 210 CALCULATION OF NMR DATA FROM REMARK 210 ORIENTED STRUCTURE REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 6 REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1 REMARK 210 CONFORMERS, SELECTION CRITERIA : STRUCTURES WITH THE LOWEST REMARK 210 ENERGY REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : 1 REMARK 210 REMARK 210 REMARK: THE STRUCTURE WAS DETERMINED FROM ONE UNIFORMLY AND REMARK 210 FOUR SELECTIVELY 15N-LABELED SAMPLES. REMARK 217 REMARK 217 SOLID STATE NMR STUDY REMARK 217 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM SOLID REMARK 217 STATE NMR DATA. PROTEIN DATA BANK CONVENTIONS REQUIRE THAT REMARK 217 CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES ON REMARK 217 THESE RECORDS ARE MEANINGLESS. REMARK 465 REMARK 465 MISSING RESIDUES REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE REMARK 465 EXPERIMENT. (RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 465 SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.) REMARK 465 RES C SSSEQI REMARK 465 ALA A 1 REMARK 465 GLU A 2 REMARK 465 GLY A 3 REMARK 465 ASP A 4 REMARK 465 ASP A 5 REMARK 465 PRO A 6 REMARK 465 THR A 46 REMARK 465 SER A 47 REMARK 465 LYS A 48 REMARK 465 ALA A 49 REMARK 465 SER A 50 REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: CLOSE CONTACTS REMARK 500 REMARK 500 THE FOLLOWING ATOMS ARE IN CLOSE CONTACT. REMARK 500 REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI DISTANCE REMARK 500 O SER A 17 CA TYR A 24 2.01 REMARK 500 O THR A 36 N LEU A 41 2.12 REMARK 500 O ILE A 37 CA LEU A 41 2.13 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 THR A 19 -81.76 -93.08 REMARK 500 GLU A 20 132.45 -37.20 REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 1FDM RELATED DB: PDB REMARK 900 FD MAJOR COAT PROTEIN IN SDS MICELLES, NMR, 20 STRUCTURES REMARK 999 REMARK 999 SEQUENCE REMARK 999 AUTHOR PROVIDED COORDINATES FOR THE PROTEIN BACKBONE ONLY. DBREF 1MZT A 1 50 UNP P69539 COATB_BPFD 24 73 SEQRES 1 A 50 ALA GLU GLY ASP ASP PRO ALA LYS ALA ALA PHE ASP SER SEQRES 2 A 50 LEU GLN ALA SER ALA THR GLU TYR ILE GLY TYR ALA TRP SEQRES 3 A 50 ALA MET VAL VAL VAL ILE VAL GLY ALA THR ILE GLY ILE SEQRES 4 A 50 LYS LEU PHE LYS LYS PHE THR SER LYS ALA SER HELIX 1 1 ALA A 7 THR A 19 1 13 HELIX 2 2 GLU A 20 PHE A 45 1 26 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 7 -6.065 -20.445 2.723 1.00 0.00 N ATOM 2 CA ALA A 7 -4.720 -19.943 2.933 1.00 0.00 C ATOM 3 C ALA A 7 -4.309 -19.043 1.768 1.00 0.00 C ATOM 4 O ALA A 7 -3.562 -18.071 1.944 1.00 0.00 O ATOM 5 H ALA A 7 -6.158 -21.426 2.463 1.00 0.00 H ATOM 6 N LYS A 8 -4.818 -19.392 0.577 1.00 0.00 N ATOM 7 CA LYS A 8 -4.514 -18.628 -0.619 1.00 0.00 C ATOM 8 C LYS A 8 -5.091 -17.215 -0.499 1.00 0.00 C ATOM 9 O LYS A 8 -4.455 -16.230 -0.900 1.00 0.00 O ATOM 10 H LYS A 8 -5.430 -20.199 0.465 1.00 0.00 H ATOM 11 N ALA A 9 -6.306 -17.148 0.062 1.00 0.00 N ATOM 12 CA ALA A 9 -6.977 -15.874 0.237 1.00 0.00 C ATOM 13 C ALA A 9 -6.195 -15.004 1.223 1.00 0.00 C ATOM 14 O ALA A 9 -6.066 -13.785 1.033 1.00 0.00 O ATOM 15 H ALA A 9 -6.802 -17.981 0.380 1.00 0.00 H ATOM 16 N ALA A 10 -5.678 -15.658 2.271 1.00 0.00 N ATOM 17 CA ALA A 10 -4.912 -14.958 3.284 1.00 0.00 C ATOM 18 C ALA A 10 -3.597 -14.450 2.689 1.00 0.00 C ATOM 19 O ALA A 10 -3.139 -13.342 3.003 1.00 0.00 O ATOM 20 H ALA A 10 -5.803 -16.663 2.396 1.00 0.00 H ATOM 21 N PHE A 11 -3.007 -15.287 1.823 1.00 0.00 N ATOM 22 CA PHE A 11 -1.756 -14.936 1.182 1.00 0.00 C ATOM 23 C PHE A 11 -1.944 -13.691 0.314 1.00 0.00 C ATOM 24 O PHE A 11 -1.076 -12.806 0.269 1.00 0.00 O ATOM 25 H PHE A 11 -3.412 -16.192 1.586 1.00 0.00 H ATOM 26 N ASP A 12 -3.095 -13.646 -0.371 1.00 0.00 N ATOM 27 CA ASP A 12 -3.408 -12.524 -1.234 1.00 0.00 C ATOM 28 C ASP A 12 -3.354 -11.219 -0.439 1.00 0.00 C ATOM 29 O ASP A 12 -2.691 -10.251 -0.841 1.00 0.00 O ATOM 30 H ASP A 12 -3.789 -14.391 -0.311 1.00 0.00 H ATOM 31 N SER A 13 -4.061 -11.218 0.700 1.00 0.00 N ATOM 32 CA SER A 13 -4.101 -10.048 1.556 1.00 0.00 C ATOM 33 C SER A 13 -2.690 -9.702 2.034 1.00 0.00 C ATOM 34 O SER A 13 -2.305 -8.526 2.091 1.00 0.00 O ATOM 35 H SER A 13 -4.595 -12.032 1.003 1.00 0.00 H ATOM 36 N LEU A 14 -1.934 -10.756 2.374 1.00 0.00 N ATOM 37 CA LEU A 14 -0.574 -10.578 2.845 1.00 0.00 C ATOM 38 C LEU A 14 0.241 -9.801 1.810 1.00 0.00 C ATOM 39 O LEU A 14 0.705 -8.681 2.071 1.00 0.00 O ATOM 40 H LEU A 14 -2.282 -11.713 2.314 1.00 0.00 H ATOM 41 N GLN A 15 0.402 -10.422 0.633 1.00 0.00 N ATOM 42 CA GLN A 15 1.154 -9.804 -0.443 1.00 0.00 C ATOM 43 C GLN A 15 0.733 -8.342 -0.601 1.00 0.00 C ATOM 44 O GLN A 15 1.573 -7.453 -0.794 1.00 0.00 O ATOM 45 H GLN A 15 0.007 -11.345 0.452 1.00 0.00 H ATOM 46 N ALA A 16 -0.587 -8.120 -0.516 1.00 0.00 N ATOM 47 CA ALA A 16 -1.129 -6.782 -0.647 1.00 0.00 C ATOM 48 C ALA A 16 -0.568 -5.879 0.454 1.00 0.00 C ATOM 49 O ALA A 16 -0.170 -4.732 0.200 1.00 0.00 O ATOM 50 H ALA A 16 -1.253 -8.876 -0.356 1.00 0.00 H ATOM 51 N SER A 17 -0.546 -6.426 1.676 1.00 0.00 N ATOM 52 CA SER A 17 -0.042 -5.684 2.818 1.00 0.00 C ATOM 53 C SER A 17 1.416 -5.287 2.578 1.00 0.00 C ATOM 54 O SER A 17 1.807 -4.131 2.801 1.00 0.00 O ATOM 55 H SER A 17 -0.882 -7.372 1.853 1.00 0.00 H ATOM 56 N ALA A 18 2.203 -6.269 2.121 1.00 0.00 N ATOM 57 CA ALA A 18 3.609 -6.034 1.848 1.00 0.00 C ATOM 58 C ALA A 18 3.760 -4.995 0.736 1.00 0.00 C ATOM 59 O ALA A 18 4.666 -4.148 0.774 1.00 0.00 O ATOM 60 H ALA A 18 1.850 -7.209 1.946 1.00 0.00 H ATOM 61 N THR A 19 2.853 -5.079 -0.246 1.00 0.00 N ATOM 62 CA THR A 19 2.876 -4.156 -1.365 1.00 0.00 C ATOM 63 C THR A 19 1.961 -2.965 -1.079 1.00 0.00 C ATOM 64 O THR A 19 2.420 -1.894 -0.655 1.00 0.00 O ATOM 65 H THR A 19 2.121 -5.788 -0.245 1.00 0.00 H ATOM 66 N GLU A 20 0.661 -3.179 -1.321 1.00 0.00 N ATOM 67 CA GLU A 20 -0.323 -2.137 -1.096 1.00 0.00 C ATOM 68 C GLU A 20 0.046 -1.331 0.150 1.00 0.00 C ATOM 69 O GLU A 20 0.358 -1.898 1.209 1.00 0.00 O ATOM 70 H GLU A 20 0.315 -4.072 -1.671 1.00 0.00 H ATOM 71 N TYR A 21 0.000 0.000 0.000 1.00 0.00 N ATOM 72 CA TYR A 21 0.325 0.888 1.099 1.00 0.00 C ATOM 73 C TYR A 21 -0.620 0.632 2.274 1.00 0.00 C ATOM 74 O TYR A 21 -0.181 0.441 3.418 1.00 0.00 O ATOM 75 H TYR A 21 -0.262 0.434 -0.885 1.00 0.00 H ATOM 76 N ILE A 22 -1.924 0.637 1.965 1.00 0.00 N ATOM 77 CA ILE A 22 -2.934 0.410 2.979 1.00 0.00 C ATOM 78 C ILE A 22 -2.855 -1.034 3.481 1.00 0.00 C ATOM 79 O ILE A 22 -3.033 -1.304 4.678 1.00 0.00 O ATOM 80 H ILE A 22 -2.253 0.799 1.013 1.00 0.00 H ATOM 81 N GLY A 23 -2.583 -1.947 2.540 1.00 0.00 N ATOM 82 CA GLY A 23 -2.477 -3.354 2.873 1.00 0.00 C ATOM 83 C GLY A 23 -1.356 -3.569 3.893 1.00 0.00 C ATOM 84 O GLY A 23 -1.574 -4.146 4.968 1.00 0.00 O ATOM 85 H GLY A 23 -2.439 -1.691 1.563 1.00 0.00 H ATOM 86 N TYR A 24 -0.159 -3.091 3.527 1.00 0.00 N ATOM 87 CA TYR A 24 0.994 -3.223 4.397 1.00 0.00 C ATOM 88 C TYR A 24 0.751 -2.475 5.709 1.00 0.00 C ATOM 89 O TYR A 24 0.667 -3.085 6.785 1.00 0.00 O ATOM 90 H TYR A 24 -0.015 -2.620 2.634 1.00 0.00 H ATOM 91 N ALA A 25 0.639 -1.145 5.589 1.00 0.00 N ATOM 92 CA ALA A 25 0.405 -0.309 6.750 1.00 0.00 C ATOM 93 C ALA A 25 -0.767 -0.858 7.564 1.00 0.00 C ATOM 94 O ALA A 25 -0.676 -1.016 8.790 1.00 0.00 O ATOM 95 H ALA A 25 0.713 -0.675 4.688 1.00 0.00 H ATOM 96 N TRP A 26 -1.868 -1.140 6.852 1.00 0.00 N ATOM 97 CA TRP A 26 -3.058 -1.668 7.492 1.00 0.00 C ATOM 98 C TRP A 26 -2.721 -2.963 8.234 1.00 0.00 C ATOM 99 O TRP A 26 -3.152 -3.175 9.377 1.00 0.00 O ATOM 100 H TRP A 26 -1.910 -0.996 5.842 1.00 0.00 H ATOM 101 N ALA A 27 -1.943 -3.819 7.556 1.00 0.00 N ATOM 102 CA ALA A 27 -1.546 -5.087 8.135 1.00 0.00 C ATOM 103 C ALA A 27 -0.759 -4.849 9.427 1.00 0.00 C ATOM 104 O ALA A 27 -0.827 -5.646 10.372 1.00 0.00 O ATOM 105 H ALA A 27 -1.606 -3.612 6.616 1.00 0.00 H ATOM 106 N MET A 28 -0.013 -3.734 9.437 1.00 0.00 N ATOM 107 CA MET A 28 0.786 -3.382 10.594 1.00 0.00 C ATOM 108 C MET A 28 -0.066 -2.601 11.598 1.00 0.00 C ATOM 109 O MET A 28 -0.299 -3.056 12.727 1.00 0.00 O ATOM 110 H MET A 28 0.021 -3.099 8.638 1.00 0.00 H ATOM 111 N VAL A 29 -0.517 -1.417 11.159 1.00 0.00 N ATOM 112 CA VAL A 29 -1.335 -0.570 12.003 1.00 0.00 C ATOM 113 C VAL A 29 -2.549 -1.352 12.509 1.00 0.00 C ATOM 114 O VAL A 29 -2.859 -1.343 13.710 1.00 0.00 O ATOM 115 H VAL A 29 -0.305 -1.072 10.221 1.00 0.00 H ATOM 116 N VAL A 30 -3.222 -2.024 11.568 1.00 0.00 N ATOM 117 CA VAL A 30 -4.396 -2.809 11.901 1.00 0.00 C ATOM 118 C VAL A 30 -3.990 -4.026 12.734 1.00 0.00 C ATOM 119 O VAL A 30 -4.515 -4.250 13.836 1.00 0.00 O ATOM 120 H VAL A 30 -2.940 -2.011 10.585 1.00 0.00 H ATOM 121 N VAL A 31 -3.045 -4.800 12.185 1.00 0.00 N ATOM 122 CA VAL A 31 -2.564 -5.988 12.863 1.00 0.00 C ATOM 123 C VAL A 31 -2.157 -5.643 14.297 1.00 0.00 C ATOM 124 O VAL A 31 -2.358 -6.438 15.228 1.00 0.00 O ATOM 125 H VAL A 31 -2.632 -4.586 11.277 1.00 0.00 H ATOM 126 N ILE A 32 -1.584 -4.440 14.449 1.00 0.00 N ATOM 127 CA ILE A 32 -1.148 -3.981 15.755 1.00 0.00 C ATOM 128 C ILE A 32 -2.363 -3.627 16.616 1.00 0.00 C ATOM 129 O ILE A 32 -2.422 -3.970 17.806 1.00 0.00 O ATOM 130 H ILE A 32 -1.434 -3.810 13.664 1.00 0.00 H ATOM 131 N VAL A 33 -3.322 -2.935 15.986 1.00 0.00 N ATOM 132 CA VAL A 33 -4.528 -2.532 16.680 1.00 0.00 C ATOM 133 C VAL A 33 -5.355 -3.764 17.054 1.00 0.00 C ATOM 134 O VAL A 33 -5.702 -3.968 18.227 1.00 0.00 O ATOM 135 H VAL A 33 -3.240 -2.670 15.004 1.00 0.00 H ATOM 136 N GLY A 34 -5.657 -4.574 16.030 1.00 0.00 N ATOM 137 CA GLY A 34 -6.435 -5.780 16.237 1.00 0.00 C ATOM 138 C GLY A 34 -5.780 -6.648 17.315 1.00 0.00 C ATOM 139 O GLY A 34 -6.392 -6.948 18.351 1.00 0.00 O ATOM 140 H GLY A 34 -5.353 -4.376 15.077 1.00 0.00 H ATOM 141 N ALA A 35 -4.528 -7.039 17.043 1.00 0.00 N ATOM 142 CA ALA A 35 -3.786 -7.864 17.973 1.00 0.00 C ATOM 143 C ALA A 35 -3.565 -7.108 19.286 1.00 0.00 C ATOM 144 O ALA A 35 -3.961 -7.572 20.366 1.00 0.00 O ATOM 145 H ALA A 35 -4.055 -6.774 16.180 1.00 0.00 H ATOM 146 N THR A 36 -2.927 -5.935 19.163 1.00 0.00 N ATOM 147 CA THR A 36 -2.651 -5.110 20.323 1.00 0.00 C ATOM 148 C THR A 36 -3.956 -4.766 21.043 1.00 0.00 C ATOM 149 O THR A 36 -4.104 -5.013 22.249 1.00 0.00 O ATOM 150 H THR A 36 -2.614 -5.583 18.257 1.00 0.00 H ATOM 151 N ILE A 37 -4.894 -4.194 20.275 1.00 0.00 N ATOM 152 CA ILE A 37 -6.181 -3.815 20.825 1.00 0.00 C ATOM 153 C ILE A 37 -6.983 -5.065 21.192 1.00 0.00 C ATOM 154 O ILE A 37 -7.469 -5.203 22.325 1.00 0.00 O ATOM 155 H ILE A 37 -4.740 -4.006 19.285 1.00 0.00 H ATOM 156 N GLY A 38 -7.104 -5.970 20.210 1.00 0.00 N ATOM 157 CA GLY A 38 -7.836 -7.204 20.416 1.00 0.00 C ATOM 158 C GLY A 38 -7.225 -7.987 21.581 1.00 0.00 C ATOM 159 O GLY A 38 -7.847 -8.143 22.642 1.00 0.00 O ATOM 160 H GLY A 38 -6.690 -5.826 19.289 1.00 0.00 H ATOM 161 N ILE A 39 -5.997 -8.471 21.354 1.00 0.00 N ATOM 162 CA ILE A 39 -5.296 -9.234 22.368 1.00 0.00 C ATOM 163 C ILE A 39 -4.810 -8.302 23.481 1.00 0.00 C ATOM 164 O ILE A 39 -5.168 -8.471 24.656 1.00 0.00 O ATOM 165 H ILE A 39 -5.513 -8.325 20.468 1.00 0.00 H ATOM 166 N LYS A 40 -3.990 -7.321 23.080 1.00 0.00 N ATOM 167 CA LYS A 40 -3.453 -6.365 24.028 1.00 0.00 C ATOM 168 C LYS A 40 -4.583 -5.512 24.608 1.00 0.00 C ATOM 169 O LYS A 40 -4.547 -5.120 25.785 1.00 0.00 O ATOM 170 H LYS A 40 -3.714 -7.211 22.104 1.00 0.00 H ATOM 171 N LEU A 41 -5.579 -5.236 23.757 1.00 0.00 N ATOM 172 CA LEU A 41 -6.718 -4.440 24.171 1.00 0.00 C ATOM 173 C LEU A 41 -7.512 -5.179 25.248 1.00 0.00 C ATOM 174 O LEU A 41 -7.872 -4.604 26.285 1.00 0.00 O ATOM 175 H LEU A 41 -5.577 -5.574 22.794 1.00 0.00 H ATOM 176 N PHE A 42 -7.774 -6.465 24.974 1.00 0.00 N ATOM 177 CA PHE A 42 -8.518 -7.290 25.907 1.00 0.00 C ATOM 178 C PHE A 42 -7.743 -7.430 27.218 1.00 0.00 C ATOM 179 O PHE A 42 -8.334 -7.594 28.295 1.00 0.00 O ATOM 180 H PHE A 42 -7.464 -6.908 24.111 1.00 0.00 H ATOM 181 N LYS A 43 -6.411 -7.361 27.097 1.00 0.00 N ATOM 182 CA LYS A 43 -5.548 -7.478 28.257 1.00 0.00 C ATOM 183 C LYS A 43 -5.834 -6.341 29.239 1.00 0.00 C ATOM 184 O LYS A 43 -6.271 -6.572 30.376 1.00 0.00 O ATOM 185 H LYS A 43 -5.955 -7.225 26.194 1.00 0.00 H ATOM 186 N LYS A 44 -5.579 -5.110 28.771 1.00 0.00 N ATOM 187 CA LYS A 44 -5.805 -3.937 29.592 1.00 0.00 C ATOM 188 C LYS A 44 -7.307 -3.723 29.798 1.00 0.00 C ATOM 189 O LYS A 44 -7.779 -3.570 30.935 1.00 0.00 O ATOM 190 H LYS A 44 -5.222 -4.954 27.829 1.00 0.00 H ATOM 191 N PHE A 45 -8.037 -3.714 28.675 1.00 0.00 N ATOM 192 CA PHE A 45 -9.472 -3.521 28.719 1.00 0.00 C ATOM 193 C PHE A 45 -10.172 -4.608 27.899 1.00 0.00 C ATOM 194 O PHE A 45 -9.901 -5.807 28.065 1.00 0.00 O ATOM 195 H PHE A 45 -7.614 -3.843 27.755 1.00 0.00 H TER 196 PHE A 45 MASTER 118 0 0 2 0 0 0 6 195 1 0 4 END