HEADER UNKNOWN FUNCTION 08-OCT-13 SMS21045 TITLE AIP-I COMPND MOL_ID: 1; COMPND 2 MOLECULE: AIP-I; COMPND 3 CHAIN: A; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 SYNTHETIC: YES KEYWDS AUTOINDUCING PEPTIDE, UNKNOWN FUNCTION EXPDTA SOLUTION NMR NUMMDL 10 AUTHOR Y.TAL-GAN,M.IVANCIC,G.CORNILESCU,C.C.CORNILESCU,H.E.BLACKWELL JRNL AUTH Y.TAL-GAN,M.IVANCIC,G.CORNILESCU,C.C.CORNILESCU, JRNL AUTH 2 H.E.BLACKWELL JRNL TITL STRUCTURAL CHARACTERIZATION OF AN AUTOINDUCING PEPTIDE AND JRNL TITL 2 ABIOTIC ANALOGS REVEALS KEY FEATURES ESSENTIAL FOR JRNL TITL 3 ACTIVATION AND INHIBITION OF AN AGRC QUORUM SENSING RECEPTOR JRNL TITL 4 IN STAPHYLOCOCCUS AUREUS JRNL REF TO BE PUBLISHED JRNL REFN REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : X-PLOR_NIH REMARK 3 AUTHORS : SCHWIETERS, KUSZEWSKI, TJANDRA AND CLORE REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 NULL COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBJ ON 20-NOV-13. REMARK 100 THE BMRB ID CODE IS SMS21045. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 298 REMARK 210 PH : 3.65 REMARK 210 IONIC STRENGTH : NULL REMARK 210 PRESSURE : NULL REMARK 210 SAMPLE CONTENTS : 1 MM AIP-I, 70% H2O/ 30% CD3CN REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : 2D 1H-1H TOCSY; 2D 1H-1H COSY; REMARK 210 2D 1H-1H ROESY REMARK 210 SPECTROMETER FIELD STRENGTH : 600 MHZ REMARK 210 SPECTROMETER MODEL : INOVA REMARK 210 SPECTROMETER MANUFACTURER : VARIAN REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : X-PLOR_NIH, SPARKY REMARK 210 METHOD USED : SIMULATED ANNEALING REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 100 REMARK 210 CONFORMERS, NUMBER SUBMITTED : 10 REMARK 210 CONFORMERS, SELECTION CRITERIA : STRUCTURES WITH THE LOWEST ENERGY REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : 1 REMARK 210 REMARK 210 REMARK: LOCK ON CD3CN SOLVENT SUPPRESS HOD REMARK 215 REMARK 215 NMR STUDY REMARK 215 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM SOLUTION REMARK 215 NMR DATA. PROTEIN DATA BANK CONVENTIONS REQUIRE THAT REMARK 215 CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES ON REMARK 215 THESE RECORDS ARE MEANINGLESS. REMARK 300 REMARK 300 BIOMOLECULE: 1 REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON REMARK 300 BURIED SURFACE AREA. REMARK 350 REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. REMARK 350 REMARK 350 BIOMOLECULE: 1 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC REMARK 350 APPLY THE FOLLOWING TO CHAINS: A REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: TORSION ANGLES REMARK 500 REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) REMARK 500 REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 REMARK 500 REMARK 500 M RES CSSEQI PSI PHI REMARK 500 1 THR A 3 -48.61 -169.16 REMARK 500 1 PHE A 6 25.95 -75.00 REMARK 500 1 ILE A 7 -26.98 71.03 REMARK 500 2 THR A 3 -50.53 -168.12 REMARK 500 2 PHE A 6 25.87 -74.71 REMARK 500 2 ILE A 7 -27.07 71.02 REMARK 500 3 THR A 3 -48.80 -169.22 REMARK 500 3 PHE A 6 26.29 -75.97 REMARK 500 3 ILE A 7 -27.02 70.84 REMARK 500 4 THR A 3 -45.62 -171.50 REMARK 500 4 PHE A 6 41.34 -70.90 REMARK 500 4 ILE A 7 -33.05 71.36 REMARK 500 5 THR A 3 -49.28 -170.32 REMARK 500 5 ASP A 5 12.07 55.31 REMARK 500 5 ILE A 7 -35.51 68.52 REMARK 500 6 THR A 3 -49.32 -170.00 REMARK 500 6 ASP A 5 11.53 55.04 REMARK 500 6 ILE A 7 -35.40 68.60 REMARK 500 7 THR A 3 -50.70 -168.05 REMARK 500 7 ILE A 7 -27.99 71.27 REMARK 500 8 THR A 3 -50.93 -168.11 REMARK 500 8 ILE A 7 -27.77 72.28 REMARK 500 9 THR A 3 -47.97 -169.69 REMARK 500 9 ASP A 5 -15.09 -45.64 REMARK 500 9 ILE A 7 -35.90 72.28 REMARK 500 10 THR A 3 -47.70 -169.67 REMARK 500 10 ILE A 7 -30.54 74.52 REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: SMS21035 RELATED DB: BMRB REMARK 900 AUTOINDUCING PEPTIDE REMARK 900 RELATED ID: SMS21045 RELATED DB: BMRB DBREF A 1 8 BMRB SMS21045 SMS21045 1 8 SEQRES 1 A 8 TYR SER THR CYS ASP PHE ILE MET LINK SG CYS A 4 C MET A 8 1555 1555 1.81 CISPEP 1 THR A 3 CYS A 4 1 -0.17 CISPEP 2 THR A 3 CYS A 4 2 -0.16 CISPEP 3 THR A 3 CYS A 4 3 -0.05 CISPEP 4 THR A 3 CYS A 4 4 0.11 CISPEP 5 THR A 3 CYS A 4 5 -0.17 CISPEP 6 THR A 3 CYS A 4 6 -0.13 CISPEP 7 THR A 3 CYS A 4 7 -0.11 CISPEP 8 THR A 3 CYS A 4 8 -0.09 CISPEP 9 THR A 3 CYS A 4 9 -0.02 CISPEP 10 THR A 3 CYS A 4 10 -0.02 CRYST1 1.000 1.000 1.000 90.00 90.00 90.00 P 1 1 ORIGX1 1.000000 0.000000 0.000000 0.00000 ORIGX2 0.000000 1.000000 0.000000 0.00000 ORIGX3 0.000000 0.000000 1.000000 0.00000 SCALE1 1.000000 0.000000 0.000000 0.00000 SCALE2 0.000000 1.000000 0.000000 0.00000 SCALE3 0.000000 0.000000 1.000000 0.00000 MODEL 1 ATOM 1 N TYR A 1 -26.623 39.034 -4.091 1.00 0.00 N ATOM 2 CA TYR A 1 -28.071 38.701 -3.983 1.00 0.00 C ATOM 3 C TYR A 1 -28.673 38.602 -5.380 1.00 0.00 C ATOM 4 O TYR A 1 -29.459 39.456 -5.790 1.00 0.00 O ATOM 5 CB TYR A 1 -28.783 39.794 -3.183 1.00 0.00 C ATOM 6 CG TYR A 1 -30.172 39.327 -2.818 1.00 0.00 C ATOM 7 CD1 TYR A 1 -30.359 38.480 -1.719 1.00 0.00 C ATOM 8 CD2 TYR A 1 -31.273 39.740 -3.578 1.00 0.00 C ATOM 9 CE1 TYR A 1 -31.646 38.046 -1.380 1.00 0.00 C ATOM 10 CE2 TYR A 1 -32.560 39.308 -3.239 1.00 0.00 C ATOM 11 CZ TYR A 1 -32.747 38.461 -2.141 1.00 0.00 C ATOM 12 OH TYR A 1 -34.016 38.033 -1.807 1.00 0.00 O ATOM 13 H1 TYR A 1 -26.076 38.413 -3.462 1.00 0.00 H ATOM 14 H2 TYR A 1 -26.473 40.026 -3.816 1.00 0.00 H ATOM 15 H3 TYR A 1 -26.306 38.894 -5.072 1.00 0.00 H ATOM 16 HA TYR A 1 -28.184 37.755 -3.476 1.00 0.00 H ATOM 17 HB2 TYR A 1 -28.225 40.003 -2.283 1.00 0.00 H ATOM 18 HB3 TYR A 1 -28.852 40.691 -3.781 1.00 0.00 H ATOM 19 HD1 TYR A 1 -29.511 38.160 -1.133 1.00 0.00 H ATOM 20 HD2 TYR A 1 -31.128 40.394 -4.426 1.00 0.00 H ATOM 21 HE1 TYR A 1 -31.791 37.392 -0.532 1.00 0.00 H ATOM 22 HE2 TYR A 1 -33.409 39.626 -3.826 1.00 0.00 H ATOM 23 HH TYR A 1 -34.230 38.387 -0.940 1.00 0.00 H ATOM 24 N SER A 2 -28.300 37.553 -6.107 1.00 0.00 N ATOM 25 CA SER A 2 -28.811 37.352 -7.458 1.00 0.00 C ATOM 26 C SER A 2 -30.334 37.290 -7.451 1.00 0.00 C ATOM 27 O SER A 2 -30.984 37.641 -8.437 1.00 0.00 O ATOM 28 CB SER A 2 -28.248 36.055 -8.041 1.00 0.00 C ATOM 29 OG SER A 2 -26.842 36.021 -7.838 1.00 0.00 O ATOM 30 H SER A 2 -27.672 36.904 -5.727 1.00 0.00 H ATOM 31 HA SER A 2 -28.496 38.178 -8.078 1.00 0.00 H ATOM 32 HB2 SER A 2 -28.699 35.211 -7.546 1.00 0.00 H ATOM 33 HB3 SER A 2 -28.471 36.012 -9.099 1.00 0.00 H ATOM 34 HG SER A 2 -26.505 35.210 -8.226 1.00 0.00 H ATOM 35 N THR A 3 -30.899 36.842 -6.335 1.00 0.00 N ATOM 36 CA THR A 3 -32.349 36.736 -6.212 1.00 0.00 C ATOM 37 C THR A 3 -32.746 36.457 -4.767 1.00 0.00 C ATOM 38 O THR A 3 -33.628 37.117 -4.217 1.00 0.00 O ATOM 39 CB THR A 3 -32.868 35.611 -7.112 1.00 0.00 C ATOM 40 OG1 THR A 3 -31.943 35.386 -8.167 1.00 0.00 O ATOM 41 CG2 THR A 3 -34.225 36.006 -7.695 1.00 0.00 C ATOM 42 H THR A 3 -30.332 36.578 -5.581 1.00 0.00 H ATOM 43 HA THR A 3 -32.796 37.666 -6.527 1.00 0.00 H ATOM 44 HB THR A 3 -32.978 34.708 -6.531 1.00 0.00 H ATOM 45 HG1 THR A 3 -31.183 34.928 -7.803 1.00 0.00 H ATOM 46 HG21 THR A 3 -34.902 36.257 -6.892 1.00 0.00 H ATOM 47 HG22 THR A 3 -34.628 35.180 -8.261 1.00 0.00 H ATOM 48 HG23 THR A 3 -34.103 36.862 -8.343 1.00 0.00 H ATOM 49 N CYS A 4 -32.088 35.477 -4.156 1.00 0.00 N ATOM 50 CA CYS A 4 -31.051 34.720 -4.846 1.00 0.00 C ATOM 51 C CYS A 4 -31.430 33.240 -4.911 1.00 0.00 C ATOM 52 O CYS A 4 -31.723 32.615 -3.891 1.00 0.00 O ATOM 53 CB CYS A 4 -29.712 34.894 -4.128 1.00 0.00 C ATOM 54 SG CYS A 4 -30.007 35.307 -2.391 1.00 0.00 S ATOM 55 H CYS A 4 -32.304 35.260 -3.225 1.00 0.00 H ATOM 56 HA CYS A 4 -30.956 35.094 -5.855 1.00 0.00 H ATOM 57 HB2 CYS A 4 -29.148 33.975 -4.189 1.00 0.00 H ATOM 58 HB3 CYS A 4 -29.152 35.690 -4.597 1.00 0.00 H ATOM 59 N ASP A 5 -31.417 32.689 -6.120 1.00 0.00 N ATOM 60 CA ASP A 5 -31.754 31.283 -6.310 1.00 0.00 C ATOM 61 C ASP A 5 -30.927 30.401 -5.380 1.00 0.00 C ATOM 62 O ASP A 5 -31.389 29.355 -4.926 1.00 0.00 O ATOM 63 CB ASP A 5 -31.497 30.876 -7.763 1.00 0.00 C ATOM 64 CG ASP A 5 -32.540 31.513 -8.675 1.00 0.00 C ATOM 65 OD1 ASP A 5 -33.492 32.071 -8.154 1.00 0.00 O ATOM 66 OD2 ASP A 5 -32.373 31.433 -9.880 1.00 0.00 O ATOM 67 H ASP A 5 -31.176 33.236 -6.896 1.00 0.00 H ATOM 68 HA ASP A 5 -32.801 31.140 -6.089 1.00 0.00 H ATOM 69 HB2 ASP A 5 -30.513 31.207 -8.058 1.00 0.00 H ATOM 70 HB3 ASP A 5 -31.555 29.802 -7.850 1.00 0.00 H ATOM 71 N PHE A 6 -29.701 30.833 -5.099 1.00 0.00 N ATOM 72 CA PHE A 6 -28.816 30.071 -4.225 1.00 0.00 C ATOM 73 C PHE A 6 -29.245 30.218 -2.769 1.00 0.00 C ATOM 74 O PHE A 6 -28.432 30.083 -1.855 1.00 0.00 O ATOM 75 CB PHE A 6 -27.376 30.562 -4.386 1.00 0.00 C ATOM 76 CG PHE A 6 -26.821 30.072 -5.702 1.00 0.00 C ATOM 77 CD1 PHE A 6 -26.675 28.698 -5.931 1.00 0.00 C ATOM 78 CD2 PHE A 6 -26.452 30.990 -6.692 1.00 0.00 C ATOM 79 CE1 PHE A 6 -26.161 28.243 -7.152 1.00 0.00 C ATOM 80 CE2 PHE A 6 -25.937 30.535 -7.912 1.00 0.00 C ATOM 81 CZ PHE A 6 -25.792 29.161 -8.141 1.00 0.00 C ATOM 82 H PHE A 6 -29.388 31.677 -5.486 1.00 0.00 H ATOM 83 HA PHE A 6 -28.862 29.029 -4.501 1.00 0.00 H ATOM 84 HB2 PHE A 6 -27.359 31.642 -4.367 1.00 0.00 H ATOM 85 HB3 PHE A 6 -26.772 30.179 -3.577 1.00 0.00 H ATOM 86 HD1 PHE A 6 -26.961 27.989 -5.168 1.00 0.00 H ATOM 87 HD2 PHE A 6 -26.564 32.049 -6.515 1.00 0.00 H ATOM 88 HE1 PHE A 6 -26.049 27.183 -7.329 1.00 0.00 H ATOM 89 HE2 PHE A 6 -25.652 31.243 -8.676 1.00 0.00 H ATOM 90 HZ PHE A 6 -25.394 28.810 -9.083 1.00 0.00 H ATOM 91 N ILE A 7 -30.529 30.495 -2.560 1.00 0.00 N ATOM 92 CA ILE A 7 -31.056 30.652 -1.210 1.00 0.00 C ATOM 93 C ILE A 7 -30.550 31.948 -0.584 1.00 0.00 C ATOM 94 O ILE A 7 -31.202 32.526 0.285 1.00 0.00 O ATOM 95 CB ILE A 7 -30.634 29.466 -0.342 1.00 0.00 C ATOM 96 CG1 ILE A 7 -30.899 28.162 -1.100 1.00 0.00 C ATOM 97 CG2 ILE A 7 -31.437 29.472 0.959 1.00 0.00 C ATOM 98 CD1 ILE A 7 -29.613 27.338 -1.166 1.00 0.00 C ATOM 99 H ILE A 7 -31.131 30.595 -3.327 1.00 0.00 H ATOM 100 HA ILE A 7 -32.134 30.683 -1.256 1.00 0.00 H ATOM 101 HB ILE A 7 -29.579 29.543 -0.115 1.00 0.00 H ATOM 102 HG12 ILE A 7 -31.664 27.597 -0.585 1.00 0.00 H ATOM 103 HG13 ILE A 7 -31.232 28.388 -2.101 1.00 0.00 H ATOM 104 HG21 ILE A 7 -30.969 28.810 1.674 1.00 0.00 H ATOM 105 HG22 ILE A 7 -32.443 29.134 0.762 1.00 0.00 H ATOM 106 HG23 ILE A 7 -31.465 30.474 1.360 1.00 0.00 H ATOM 107 HD11 ILE A 7 -29.158 27.301 -0.187 1.00 0.00 H ATOM 108 HD12 ILE A 7 -28.927 27.797 -1.864 1.00 0.00 H ATOM 109 HD13 ILE A 7 -29.844 26.336 -1.495 1.00 0.00 H ATOM 110 N MET A 8 -29.383 32.400 -1.033 1.00 0.00 N ATOM 111 CA MET A 8 -28.782 33.610 -0.485 1.00 0.00 C ATOM 112 C MET A 8 -28.532 34.631 -1.590 1.00 0.00 C ATOM 113 O MET A 8 -27.496 35.274 -1.551 1.00 0.00 O ATOM 114 CB MET A 8 -27.461 33.270 0.208 1.00 0.00 C ATOM 115 CG MET A 8 -27.730 32.348 1.398 1.00 0.00 C ATOM 116 SD MET A 8 -26.215 32.159 2.370 1.00 0.00 S ATOM 117 CE MET A 8 -26.852 30.942 3.548 1.00 0.00 C ATOM 118 H MET A 8 -28.918 31.910 -1.743 1.00 0.00 H ATOM 119 HA MET A 8 -29.456 34.038 0.241 1.00 0.00 H ATOM 120 HB2 MET A 8 -26.805 32.773 -0.493 1.00 0.00 H ATOM 121 HB3 MET A 8 -26.993 34.178 0.557 1.00 0.00 H ATOM 122 HG2 MET A 8 -28.504 32.777 2.018 1.00 0.00 H ATOM 123 HG3 MET A 8 -28.052 31.382 1.040 1.00 0.00 H ATOM 124 HE1 MET A 8 -27.297 30.118 3.008 1.00 0.00 H ATOM 125 HE2 MET A 8 -27.597 31.402 4.176 1.00 0.00 H ATOM 126 HE3 MET A 8 -26.041 30.580 4.164 1.00 0.00 H TER 127 MET A 8 ENDMDL MODEL 2 ATOM 1 N TYR A 1 -26.707 39.328 -4.095 1.00 0.00 N ATOM 2 CA TYR A 1 -28.162 39.018 -4.003 1.00 0.00 C ATOM 3 C TYR A 1 -28.737 38.871 -5.407 1.00 0.00 C ATOM 4 O TYR A 1 -29.497 39.722 -5.870 1.00 0.00 O ATOM 5 CB TYR A 1 -28.875 40.151 -3.262 1.00 0.00 C ATOM 6 CG TYR A 1 -30.205 39.656 -2.745 1.00 0.00 C ATOM 7 CD1 TYR A 1 -30.290 39.079 -1.473 1.00 0.00 C ATOM 8 CD2 TYR A 1 -31.352 39.775 -3.540 1.00 0.00 C ATOM 9 CE1 TYR A 1 -31.524 38.620 -0.995 1.00 0.00 C ATOM 10 CE2 TYR A 1 -32.585 39.316 -3.060 1.00 0.00 C ATOM 11 CZ TYR A 1 -32.671 38.738 -1.788 1.00 0.00 C ATOM 12 OH TYR A 1 -33.886 38.286 -1.317 1.00 0.00 O ATOM 13 H1 TYR A 1 -26.490 39.695 -5.043 1.00 0.00 H ATOM 14 H2 TYR A 1 -26.157 38.462 -3.923 1.00 0.00 H ATOM 15 H3 TYR A 1 -26.458 40.044 -3.383 1.00 0.00 H ATOM 16 HA TYR A 1 -28.297 38.094 -3.460 1.00 0.00 H ATOM 17 HB2 TYR A 1 -28.266 40.479 -2.432 1.00 0.00 H ATOM 18 HB3 TYR A 1 -29.038 40.977 -3.938 1.00 0.00 H ATOM 19 HD1 TYR A 1 -29.406 38.987 -0.861 1.00 0.00 H ATOM 20 HD2 TYR A 1 -31.286 40.221 -4.521 1.00 0.00 H ATOM 21 HE1 TYR A 1 -31.590 38.174 -0.014 1.00 0.00 H ATOM 22 HE2 TYR A 1 -33.470 39.408 -3.673 1.00 0.00 H ATOM 23 HH TYR A 1 -33.790 37.358 -1.090 1.00 0.00 H ATOM 24 N SER A 2 -28.370 37.785 -6.081 1.00 0.00 N ATOM 25 CA SER A 2 -28.857 37.537 -7.432 1.00 0.00 C ATOM 26 C SER A 2 -30.377 37.407 -7.439 1.00 0.00 C ATOM 27 O SER A 2 -31.033 37.729 -8.429 1.00 0.00 O ATOM 28 CB SER A 2 -28.231 36.256 -7.985 1.00 0.00 C ATOM 29 OG SER A 2 -26.829 36.280 -7.751 1.00 0.00 O ATOM 30 H SER A 2 -27.762 37.142 -5.662 1.00 0.00 H ATOM 31 HA SER A 2 -28.573 38.365 -8.065 1.00 0.00 H ATOM 32 HB2 SER A 2 -28.659 35.400 -7.489 1.00 0.00 H ATOM 33 HB3 SER A 2 -28.428 36.190 -9.047 1.00 0.00 H ATOM 34 HG SER A 2 -26.640 35.684 -7.022 1.00 0.00 H ATOM 35 N THR A 3 -30.929 36.931 -6.328 1.00 0.00 N ATOM 36 CA THR A 3 -32.373 36.759 -6.217 1.00 0.00 C ATOM 37 C THR A 3 -32.772 36.484 -4.772 1.00 0.00 C ATOM 38 O THR A 3 -33.667 37.133 -4.230 1.00 0.00 O ATOM 39 CB THR A 3 -32.830 35.598 -7.105 1.00 0.00 C ATOM 40 OG1 THR A 3 -31.828 35.323 -8.074 1.00 0.00 O ATOM 41 CG2 THR A 3 -34.136 35.974 -7.808 1.00 0.00 C ATOM 42 H THR A 3 -30.357 36.693 -5.569 1.00 0.00 H ATOM 43 HA THR A 3 -32.861 37.663 -6.550 1.00 0.00 H ATOM 44 HB THR A 3 -32.994 34.722 -6.496 1.00 0.00 H ATOM 45 HG1 THR A 3 -31.914 35.968 -8.780 1.00 0.00 H ATOM 46 HG21 THR A 3 -34.528 35.110 -8.322 1.00 0.00 H ATOM 47 HG22 THR A 3 -33.945 36.763 -8.522 1.00 0.00 H ATOM 48 HG23 THR A 3 -34.853 36.316 -7.077 1.00 0.00 H ATOM 49 N CYS A 4 -32.101 35.517 -4.151 1.00 0.00 N ATOM 50 CA CYS A 4 -31.050 34.773 -4.834 1.00 0.00 C ATOM 51 C CYS A 4 -31.440 33.300 -4.962 1.00 0.00 C ATOM 52 O CYS A 4 -31.747 32.634 -3.974 1.00 0.00 O ATOM 53 CB CYS A 4 -29.734 34.905 -4.067 1.00 0.00 C ATOM 54 SG CYS A 4 -30.083 35.197 -2.314 1.00 0.00 S ATOM 55 H CYS A 4 -32.318 35.302 -3.221 1.00 0.00 H ATOM 56 HA CYS A 4 -30.918 35.179 -5.825 1.00 0.00 H ATOM 57 HB2 CYS A 4 -29.161 33.996 -4.173 1.00 0.00 H ATOM 58 HB3 CYS A 4 -29.168 35.735 -4.464 1.00 0.00 H ATOM 59 N ASP A 5 -31.417 32.800 -6.194 1.00 0.00 N ATOM 60 CA ASP A 5 -31.762 31.406 -6.448 1.00 0.00 C ATOM 61 C ASP A 5 -30.944 30.480 -5.553 1.00 0.00 C ATOM 62 O ASP A 5 -31.412 29.414 -5.154 1.00 0.00 O ATOM 63 CB ASP A 5 -31.499 31.063 -7.916 1.00 0.00 C ATOM 64 CG ASP A 5 -32.539 31.738 -8.802 1.00 0.00 C ATOM 65 OD1 ASP A 5 -33.490 32.277 -8.262 1.00 0.00 O ATOM 66 OD2 ASP A 5 -32.370 31.707 -10.010 1.00 0.00 O ATOM 67 H ASP A 5 -31.164 33.379 -6.943 1.00 0.00 H ATOM 68 HA ASP A 5 -32.810 31.260 -6.238 1.00 0.00 H ATOM 69 HB2 ASP A 5 -30.514 31.406 -8.193 1.00 0.00 H ATOM 70 HB3 ASP A 5 -31.557 29.992 -8.049 1.00 0.00 H ATOM 71 N PHE A 6 -29.721 30.895 -5.241 1.00 0.00 N ATOM 72 CA PHE A 6 -28.844 30.091 -4.398 1.00 0.00 C ATOM 73 C PHE A 6 -29.289 30.162 -2.941 1.00 0.00 C ATOM 74 O PHE A 6 -28.487 29.979 -2.026 1.00 0.00 O ATOM 75 CB PHE A 6 -27.402 30.590 -4.517 1.00 0.00 C ATOM 76 CG PHE A 6 -26.832 30.170 -5.851 1.00 0.00 C ATOM 77 CD1 PHE A 6 -26.683 28.811 -6.152 1.00 0.00 C ATOM 78 CD2 PHE A 6 -26.454 31.140 -6.786 1.00 0.00 C ATOM 79 CE1 PHE A 6 -26.155 28.422 -7.388 1.00 0.00 C ATOM 80 CE2 PHE A 6 -25.926 30.751 -8.023 1.00 0.00 C ATOM 81 CZ PHE A 6 -25.776 29.392 -8.325 1.00 0.00 C ATOM 82 H PHE A 6 -29.401 31.756 -5.585 1.00 0.00 H ATOM 83 HA PHE A 6 -28.885 29.064 -4.727 1.00 0.00 H ATOM 84 HB2 PHE A 6 -27.387 31.667 -4.441 1.00 0.00 H ATOM 85 HB3 PHE A 6 -26.808 30.164 -3.722 1.00 0.00 H ATOM 86 HD1 PHE A 6 -26.975 28.063 -5.430 1.00 0.00 H ATOM 87 HD2 PHE A 6 -26.569 32.189 -6.554 1.00 0.00 H ATOM 88 HE1 PHE A 6 -26.039 27.374 -7.620 1.00 0.00 H ATOM 89 HE2 PHE A 6 -25.634 31.499 -8.745 1.00 0.00 H ATOM 90 HZ PHE A 6 -25.368 29.092 -9.279 1.00 0.00 H ATOM 91 N ILE A 7 -30.575 30.427 -2.733 1.00 0.00 N ATOM 92 CA ILE A 7 -31.118 30.513 -1.382 1.00 0.00 C ATOM 93 C ILE A 7 -30.620 31.774 -0.685 1.00 0.00 C ATOM 94 O ILE A 7 -31.283 32.306 0.206 1.00 0.00 O ATOM 95 CB ILE A 7 -30.705 29.282 -0.573 1.00 0.00 C ATOM 96 CG1 ILE A 7 -30.962 28.020 -1.400 1.00 0.00 C ATOM 97 CG2 ILE A 7 -31.524 29.221 0.717 1.00 0.00 C ATOM 98 CD1 ILE A 7 -29.674 27.201 -1.496 1.00 0.00 C ATOM 99 H ILE A 7 -31.168 30.567 -3.500 1.00 0.00 H ATOM 100 HA ILE A 7 -32.196 30.546 -1.439 1.00 0.00 H ATOM 101 HB ILE A 7 -29.655 29.349 -0.330 1.00 0.00 H ATOM 102 HG12 ILE A 7 -31.731 27.429 -0.924 1.00 0.00 H ATOM 103 HG13 ILE A 7 -31.284 28.299 -2.392 1.00 0.00 H ATOM 104 HG21 ILE A 7 -31.065 28.523 1.401 1.00 0.00 H ATOM 105 HG22 ILE A 7 -32.528 28.894 0.490 1.00 0.00 H ATOM 106 HG23 ILE A 7 -31.558 30.200 1.169 1.00 0.00 H ATOM 107 HD11 ILE A 7 -28.981 27.697 -2.161 1.00 0.00 H ATOM 108 HD12 ILE A 7 -29.900 26.218 -1.880 1.00 0.00 H ATOM 109 HD13 ILE A 7 -29.230 27.112 -0.516 1.00 0.00 H ATOM 110 N MET A 8 -29.448 32.248 -1.095 1.00 0.00 N ATOM 111 CA MET A 8 -28.854 33.428 -0.478 1.00 0.00 C ATOM 112 C MET A 8 -28.607 34.512 -1.522 1.00 0.00 C ATOM 113 O MET A 8 -27.588 35.176 -1.428 1.00 0.00 O ATOM 114 CB MET A 8 -27.532 33.055 0.197 1.00 0.00 C ATOM 115 CG MET A 8 -27.800 32.071 1.336 1.00 0.00 C ATOM 116 SD MET A 8 -26.283 31.832 2.295 1.00 0.00 S ATOM 117 CE MET A 8 -26.918 30.555 3.409 1.00 0.00 C ATOM 118 H MET A 8 -28.975 31.796 -1.825 1.00 0.00 H ATOM 119 HA MET A 8 -29.531 33.810 0.272 1.00 0.00 H ATOM 120 HB2 MET A 8 -26.875 32.598 -0.529 1.00 0.00 H ATOM 121 HB3 MET A 8 -27.067 33.945 0.593 1.00 0.00 H ATOM 122 HG2 MET A 8 -28.573 32.466 1.978 1.00 0.00 H ATOM 123 HG3 MET A 8 -28.119 31.124 0.927 1.00 0.00 H ATOM 124 HE1 MET A 8 -27.102 29.649 2.849 1.00 0.00 H ATOM 125 HE2 MET A 8 -27.839 30.891 3.858 1.00 0.00 H ATOM 126 HE3 MET A 8 -26.191 30.363 4.186 1.00 0.00 H TER 127 MET A 8 ENDMDL MODEL 3 ATOM 1 N TYR A 1 -26.724 39.008 -3.992 1.00 0.00 N ATOM 2 CA TYR A 1 -28.196 38.796 -3.903 1.00 0.00 C ATOM 3 C TYR A 1 -28.781 38.713 -5.309 1.00 0.00 C ATOM 4 O TYR A 1 -29.586 39.556 -5.708 1.00 0.00 O ATOM 5 CB TYR A 1 -28.831 39.961 -3.141 1.00 0.00 C ATOM 6 CG TYR A 1 -30.257 39.616 -2.788 1.00 0.00 C ATOM 7 CD1 TYR A 1 -30.526 38.781 -1.696 1.00 0.00 C ATOM 8 CD2 TYR A 1 -31.312 40.129 -3.552 1.00 0.00 C ATOM 9 CE1 TYR A 1 -31.848 38.460 -1.369 1.00 0.00 C ATOM 10 CE2 TYR A 1 -32.635 39.808 -3.225 1.00 0.00 C ATOM 11 CZ TYR A 1 -32.903 38.974 -2.133 1.00 0.00 C ATOM 12 OH TYR A 1 -34.207 38.657 -1.810 1.00 0.00 O ATOM 13 H1 TYR A 1 -26.528 40.010 -4.182 1.00 0.00 H ATOM 14 H2 TYR A 1 -26.337 38.426 -4.763 1.00 0.00 H ATOM 15 H3 TYR A 1 -26.279 38.734 -3.093 1.00 0.00 H ATOM 16 HA TYR A 1 -28.395 37.873 -3.378 1.00 0.00 H ATOM 17 HB2 TYR A 1 -28.270 40.147 -2.236 1.00 0.00 H ATOM 18 HB3 TYR A 1 -28.819 40.846 -3.760 1.00 0.00 H ATOM 19 HD1 TYR A 1 -29.712 38.385 -1.107 1.00 0.00 H ATOM 20 HD2 TYR A 1 -31.105 40.773 -4.394 1.00 0.00 H ATOM 21 HE1 TYR A 1 -32.055 37.816 -0.527 1.00 0.00 H ATOM 22 HE2 TYR A 1 -33.448 40.205 -3.814 1.00 0.00 H ATOM 23 HH TYR A 1 -34.400 39.036 -0.949 1.00 0.00 H ATOM 24 N SER A 2 -28.372 37.693 -6.056 1.00 0.00 N ATOM 25 CA SER A 2 -28.863 37.510 -7.416 1.00 0.00 C ATOM 26 C SER A 2 -30.386 37.420 -7.429 1.00 0.00 C ATOM 27 O SER A 2 -31.029 37.777 -8.416 1.00 0.00 O ATOM 28 CB SER A 2 -28.270 36.236 -8.019 1.00 0.00 C ATOM 29 OG SER A 2 -26.866 36.224 -7.800 1.00 0.00 O ATOM 30 H SER A 2 -27.730 37.053 -5.685 1.00 0.00 H ATOM 31 HA SER A 2 -28.557 38.354 -8.016 1.00 0.00 H ATOM 32 HB2 SER A 2 -28.710 35.374 -7.546 1.00 0.00 H ATOM 33 HB3 SER A 2 -28.480 36.209 -9.080 1.00 0.00 H ATOM 34 HG SER A 2 -26.442 36.596 -8.577 1.00 0.00 H ATOM 35 N THR A 3 -30.955 36.943 -6.327 1.00 0.00 N ATOM 36 CA THR A 3 -32.403 36.809 -6.224 1.00 0.00 C ATOM 37 C THR A 3 -32.812 36.497 -4.788 1.00 0.00 C ATOM 38 O THR A 3 -33.710 37.132 -4.236 1.00 0.00 O ATOM 39 CB THR A 3 -32.892 35.692 -7.150 1.00 0.00 C ATOM 40 OG1 THR A 3 -31.952 35.503 -8.198 1.00 0.00 O ATOM 41 CG2 THR A 3 -34.249 36.073 -7.741 1.00 0.00 C ATOM 42 H THR A 3 -30.391 36.677 -5.571 1.00 0.00 H ATOM 43 HA THR A 3 -32.864 37.737 -6.526 1.00 0.00 H ATOM 44 HB THR A 3 -32.993 34.776 -6.588 1.00 0.00 H ATOM 45 HG1 THR A 3 -31.184 35.056 -7.832 1.00 0.00 H ATOM 46 HG21 THR A 3 -34.114 36.842 -8.488 1.00 0.00 H ATOM 47 HG22 THR A 3 -34.893 36.442 -6.957 1.00 0.00 H ATOM 48 HG23 THR A 3 -34.700 35.204 -8.197 1.00 0.00 H ATOM 49 N CYS A 4 -32.146 35.516 -4.189 1.00 0.00 N ATOM 50 CA CYS A 4 -31.088 34.789 -4.881 1.00 0.00 C ATOM 51 C CYS A 4 -31.452 33.308 -4.993 1.00 0.00 C ATOM 52 O CYS A 4 -31.737 32.647 -3.996 1.00 0.00 O ATOM 53 CB CYS A 4 -29.764 34.957 -4.135 1.00 0.00 C ATOM 54 SG CYS A 4 -30.094 35.280 -2.385 1.00 0.00 S ATOM 55 H CYS A 4 -32.368 35.277 -3.265 1.00 0.00 H ATOM 56 HA CYS A 4 -30.981 35.192 -5.877 1.00 0.00 H ATOM 57 HB2 CYS A 4 -29.179 34.053 -4.230 1.00 0.00 H ATOM 58 HB3 CYS A 4 -29.215 35.785 -4.558 1.00 0.00 H ATOM 59 N ASP A 5 -31.436 32.797 -6.220 1.00 0.00 N ATOM 60 CA ASP A 5 -31.760 31.395 -6.457 1.00 0.00 C ATOM 61 C ASP A 5 -30.917 30.491 -5.563 1.00 0.00 C ATOM 62 O ASP A 5 -31.355 29.411 -5.167 1.00 0.00 O ATOM 63 CB ASP A 5 -31.510 31.042 -7.925 1.00 0.00 C ATOM 64 CG ASP A 5 -31.984 29.620 -8.207 1.00 0.00 C ATOM 65 OD1 ASP A 5 -33.138 29.463 -8.570 1.00 0.00 O ATOM 66 OD2 ASP A 5 -31.186 28.710 -8.057 1.00 0.00 O ATOM 67 H ASP A 5 -31.202 33.372 -6.979 1.00 0.00 H ATOM 68 HA ASP A 5 -32.804 31.234 -6.234 1.00 0.00 H ATOM 69 HB2 ASP A 5 -32.050 31.732 -8.556 1.00 0.00 H ATOM 70 HB3 ASP A 5 -30.453 31.115 -8.135 1.00 0.00 H ATOM 71 N PHE A 6 -29.707 30.941 -5.250 1.00 0.00 N ATOM 72 CA PHE A 6 -28.809 30.161 -4.407 1.00 0.00 C ATOM 73 C PHE A 6 -29.238 30.242 -2.946 1.00 0.00 C ATOM 74 O PHE A 6 -28.420 30.092 -2.038 1.00 0.00 O ATOM 75 CB PHE A 6 -27.376 30.681 -4.549 1.00 0.00 C ATOM 76 CG PHE A 6 -26.819 30.262 -5.887 1.00 0.00 C ATOM 77 CD1 PHE A 6 -26.650 28.903 -6.182 1.00 0.00 C ATOM 78 CD2 PHE A 6 -26.471 31.231 -6.835 1.00 0.00 C ATOM 79 CE1 PHE A 6 -26.133 28.515 -7.423 1.00 0.00 C ATOM 80 CE2 PHE A 6 -25.954 30.843 -8.077 1.00 0.00 C ATOM 81 CZ PHE A 6 -25.785 29.485 -8.372 1.00 0.00 C ATOM 82 H PHE A 6 -29.413 31.811 -5.590 1.00 0.00 H ATOM 83 HA PHE A 6 -28.837 29.130 -4.724 1.00 0.00 H ATOM 84 HB2 PHE A 6 -27.377 31.759 -4.480 1.00 0.00 H ATOM 85 HB3 PHE A 6 -26.764 30.268 -3.761 1.00 0.00 H ATOM 86 HD1 PHE A 6 -26.918 28.155 -5.451 1.00 0.00 H ATOM 87 HD2 PHE A 6 -26.602 32.280 -6.608 1.00 0.00 H ATOM 88 HE1 PHE A 6 -26.002 27.467 -7.650 1.00 0.00 H ATOM 89 HE2 PHE A 6 -25.686 31.592 -8.808 1.00 0.00 H ATOM 90 HZ PHE A 6 -25.386 29.185 -9.330 1.00 0.00 H ATOM 91 N ILE A 7 -30.527 30.481 -2.725 1.00 0.00 N ATOM 92 CA ILE A 7 -31.057 30.574 -1.370 1.00 0.00 C ATOM 93 C ILE A 7 -30.576 31.855 -0.694 1.00 0.00 C ATOM 94 O ILE A 7 -31.239 32.385 0.197 1.00 0.00 O ATOM 95 CB ILE A 7 -30.609 29.364 -0.550 1.00 0.00 C ATOM 96 CG1 ILE A 7 -30.849 28.086 -1.357 1.00 0.00 C ATOM 97 CG2 ILE A 7 -31.411 29.302 0.750 1.00 0.00 C ATOM 98 CD1 ILE A 7 -29.544 27.294 -1.460 1.00 0.00 C ATOM 99 H ILE A 7 -31.133 30.597 -3.488 1.00 0.00 H ATOM 100 HA ILE A 7 -32.135 30.585 -1.415 1.00 0.00 H ATOM 101 HB ILE A 7 -29.557 29.454 -0.319 1.00 0.00 H ATOM 102 HG12 ILE A 7 -31.598 27.484 -0.863 1.00 0.00 H ATOM 103 HG13 ILE A 7 -31.189 28.344 -2.348 1.00 0.00 H ATOM 104 HG21 ILE A 7 -30.928 28.626 1.440 1.00 0.00 H ATOM 105 HG22 ILE A 7 -32.410 28.949 0.541 1.00 0.00 H ATOM 106 HG23 ILE A 7 -31.462 30.287 1.189 1.00 0.00 H ATOM 107 HD11 ILE A 7 -28.870 27.796 -2.139 1.00 0.00 H ATOM 108 HD12 ILE A 7 -29.754 26.301 -1.830 1.00 0.00 H ATOM 109 HD13 ILE A 7 -29.087 27.225 -0.484 1.00 0.00 H ATOM 110 N MET A 8 -29.418 32.347 -1.124 1.00 0.00 N ATOM 111 CA MET A 8 -28.842 33.547 -0.530 1.00 0.00 C ATOM 112 C MET A 8 -28.608 34.613 -1.595 1.00 0.00 C ATOM 113 O MET A 8 -27.589 35.280 -1.525 1.00 0.00 O ATOM 114 CB MET A 8 -27.516 33.206 0.154 1.00 0.00 C ATOM 115 CG MET A 8 -27.771 32.234 1.307 1.00 0.00 C ATOM 116 SD MET A 8 -26.262 32.052 2.288 1.00 0.00 S ATOM 117 CE MET A 8 -25.208 31.407 0.966 1.00 0.00 C ATOM 118 H MET A 8 -28.944 31.895 -1.853 1.00 0.00 H ATOM 119 HA MET A 8 -29.525 33.935 0.210 1.00 0.00 H ATOM 120 HB2 MET A 8 -26.849 32.751 -0.563 1.00 0.00 H ATOM 121 HB3 MET A 8 -27.068 34.109 0.540 1.00 0.00 H ATOM 122 HG2 MET A 8 -28.564 32.617 1.933 1.00 0.00 H ATOM 123 HG3 MET A 8 -28.060 31.272 0.909 1.00 0.00 H ATOM 124 HE1 MET A 8 -24.761 32.232 0.429 1.00 0.00 H ATOM 125 HE2 MET A 8 -25.801 30.817 0.286 1.00 0.00 H ATOM 126 HE3 MET A 8 -24.433 30.787 1.396 1.00 0.00 H TER 127 MET A 8 ENDMDL MODEL 4 ATOM 1 N TYR A 1 -26.263 38.900 -4.572 1.00 0.00 N ATOM 2 CA TYR A 1 -27.688 38.682 -4.193 1.00 0.00 C ATOM 3 C TYR A 1 -28.554 38.716 -5.447 1.00 0.00 C ATOM 4 O TYR A 1 -29.357 39.630 -5.635 1.00 0.00 O ATOM 5 CB TYR A 1 -28.128 39.781 -3.223 1.00 0.00 C ATOM 6 CG TYR A 1 -29.458 39.410 -2.612 1.00 0.00 C ATOM 7 CD1 TYR A 1 -29.509 38.505 -1.546 1.00 0.00 C ATOM 8 CD2 TYR A 1 -30.639 39.971 -3.112 1.00 0.00 C ATOM 9 CE1 TYR A 1 -30.742 38.160 -0.979 1.00 0.00 C ATOM 10 CE2 TYR A 1 -31.872 39.627 -2.545 1.00 0.00 C ATOM 11 CZ TYR A 1 -31.924 38.721 -1.478 1.00 0.00 C ATOM 12 OH TYR A 1 -33.139 38.382 -0.919 1.00 0.00 O ATOM 13 H1 TYR A 1 -26.201 39.107 -5.589 1.00 0.00 H ATOM 14 H2 TYR A 1 -25.713 38.042 -4.357 1.00 0.00 H ATOM 15 H3 TYR A 1 -25.879 39.702 -4.033 1.00 0.00 H ATOM 16 HA TYR A 1 -27.788 37.720 -3.714 1.00 0.00 H ATOM 17 HB2 TYR A 1 -27.390 39.889 -2.442 1.00 0.00 H ATOM 18 HB3 TYR A 1 -28.227 40.715 -3.758 1.00 0.00 H ATOM 19 HD1 TYR A 1 -28.598 38.072 -1.160 1.00 0.00 H ATOM 20 HD2 TYR A 1 -30.599 40.670 -3.934 1.00 0.00 H ATOM 21 HE1 TYR A 1 -30.782 37.461 -0.156 1.00 0.00 H ATOM 22 HE2 TYR A 1 -32.783 40.059 -2.930 1.00 0.00 H ATOM 23 HH TYR A 1 -33.023 38.327 0.032 1.00 0.00 H ATOM 24 N SER A 2 -28.388 37.714 -6.303 1.00 0.00 N ATOM 25 CA SER A 2 -29.161 37.638 -7.538 1.00 0.00 C ATOM 26 C SER A 2 -30.656 37.634 -7.235 1.00 0.00 C ATOM 27 O SER A 2 -31.458 38.143 -8.016 1.00 0.00 O ATOM 28 CB SER A 2 -28.791 36.372 -8.309 1.00 0.00 C ATOM 29 OG SER A 2 -27.379 36.307 -8.458 1.00 0.00 O ATOM 30 H SER A 2 -27.734 37.011 -6.101 1.00 0.00 H ATOM 31 HA SER A 2 -28.929 38.498 -8.149 1.00 0.00 H ATOM 32 HB2 SER A 2 -29.130 35.505 -7.766 1.00 0.00 H ATOM 33 HB3 SER A 2 -29.266 36.392 -9.281 1.00 0.00 H ATOM 34 HG SER A 2 -27.100 35.410 -8.262 1.00 0.00 H ATOM 35 N THR A 3 -31.021 37.057 -6.095 1.00 0.00 N ATOM 36 CA THR A 3 -32.423 36.991 -5.698 1.00 0.00 C ATOM 37 C THR A 3 -32.553 36.474 -4.269 1.00 0.00 C ATOM 38 O THR A 3 -33.302 37.028 -3.465 1.00 0.00 O ATOM 39 CB THR A 3 -33.192 36.070 -6.648 1.00 0.00 C ATOM 40 OG1 THR A 3 -32.493 35.977 -7.882 1.00 0.00 O ATOM 41 CG2 THR A 3 -34.591 36.637 -6.892 1.00 0.00 C ATOM 42 H THR A 3 -30.337 36.670 -5.510 1.00 0.00 H ATOM 43 HA THR A 3 -32.849 37.982 -5.753 1.00 0.00 H ATOM 44 HB THR A 3 -33.278 35.089 -6.208 1.00 0.00 H ATOM 45 HG1 THR A 3 -31.736 35.402 -7.753 1.00 0.00 H ATOM 46 HG21 THR A 3 -35.148 35.962 -7.524 1.00 0.00 H ATOM 47 HG22 THR A 3 -34.510 37.599 -7.377 1.00 0.00 H ATOM 48 HG23 THR A 3 -35.103 36.752 -5.948 1.00 0.00 H ATOM 49 N CYS A 4 -31.819 35.411 -3.962 1.00 0.00 N ATOM 50 CA CYS A 4 -30.942 34.788 -4.948 1.00 0.00 C ATOM 51 C CYS A 4 -31.188 33.276 -5.006 1.00 0.00 C ATOM 52 O CYS A 4 -31.229 32.596 -3.981 1.00 0.00 O ATOM 53 CB CYS A 4 -29.482 35.100 -4.619 1.00 0.00 C ATOM 54 SG CYS A 4 -28.891 33.955 -3.346 1.00 0.00 S ATOM 55 H CYS A 4 -31.866 35.038 -3.056 1.00 0.00 H ATOM 56 HA CYS A 4 -31.173 35.188 -5.924 1.00 0.00 H ATOM 57 HB2 CYS A 4 -28.881 34.988 -5.509 1.00 0.00 H ATOM 58 HB3 CYS A 4 -29.402 36.113 -4.255 1.00 0.00 H ATOM 59 N ASP A 5 -31.357 32.764 -6.221 1.00 0.00 N ATOM 60 CA ASP A 5 -31.603 31.339 -6.412 1.00 0.00 C ATOM 61 C ASP A 5 -30.716 30.514 -5.485 1.00 0.00 C ATOM 62 O ASP A 5 -31.108 29.440 -5.029 1.00 0.00 O ATOM 63 CB ASP A 5 -31.326 30.952 -7.866 1.00 0.00 C ATOM 64 CG ASP A 5 -32.425 31.498 -8.770 1.00 0.00 C ATOM 65 OD1 ASP A 5 -33.409 31.989 -8.242 1.00 0.00 O ATOM 66 OD2 ASP A 5 -32.267 31.417 -9.977 1.00 0.00 O ATOM 67 H ASP A 5 -31.315 33.355 -7.003 1.00 0.00 H ATOM 68 HA ASP A 5 -32.637 31.129 -6.187 1.00 0.00 H ATOM 69 HB2 ASP A 5 -30.373 31.362 -8.170 1.00 0.00 H ATOM 70 HB3 ASP A 5 -31.295 29.876 -7.950 1.00 0.00 H ATOM 71 N PHE A 6 -29.519 31.022 -5.212 1.00 0.00 N ATOM 72 CA PHE A 6 -28.583 30.322 -4.340 1.00 0.00 C ATOM 73 C PHE A 6 -29.066 30.362 -2.893 1.00 0.00 C ATOM 74 O PHE A 6 -28.275 30.558 -1.970 1.00 0.00 O ATOM 75 CB PHE A 6 -27.198 30.965 -4.436 1.00 0.00 C ATOM 76 CG PHE A 6 -26.529 30.530 -5.718 1.00 0.00 C ATOM 77 CD1 PHE A 6 -26.205 29.183 -5.917 1.00 0.00 C ATOM 78 CD2 PHE A 6 -26.232 31.476 -6.707 1.00 0.00 C ATOM 79 CE1 PHE A 6 -25.584 28.780 -7.104 1.00 0.00 C ATOM 80 CE2 PHE A 6 -25.610 31.073 -7.896 1.00 0.00 C ATOM 81 CZ PHE A 6 -25.287 29.724 -8.095 1.00 0.00 C ATOM 82 H PHE A 6 -29.260 31.883 -5.602 1.00 0.00 H ATOM 83 HA PHE A 6 -28.511 29.293 -4.657 1.00 0.00 H ATOM 84 HB2 PHE A 6 -27.299 32.040 -4.429 1.00 0.00 H ATOM 85 HB3 PHE A 6 -26.598 30.654 -3.594 1.00 0.00 H ATOM 86 HD1 PHE A 6 -26.434 28.454 -5.153 1.00 0.00 H ATOM 87 HD2 PHE A 6 -26.482 32.515 -6.554 1.00 0.00 H ATOM 88 HE1 PHE A 6 -25.334 27.741 -7.258 1.00 0.00 H ATOM 89 HE2 PHE A 6 -25.382 31.801 -8.659 1.00 0.00 H ATOM 90 HZ PHE A 6 -24.808 29.414 -9.011 1.00 0.00 H ATOM 91 N ILE A 7 -30.368 30.174 -2.704 1.00 0.00 N ATOM 92 CA ILE A 7 -30.945 30.190 -1.364 1.00 0.00 C ATOM 93 C ILE A 7 -30.951 31.608 -0.801 1.00 0.00 C ATOM 94 O ILE A 7 -31.849 31.982 -0.048 1.00 0.00 O ATOM 95 CB ILE A 7 -30.142 29.274 -0.440 1.00 0.00 C ATOM 96 CG1 ILE A 7 -29.902 27.932 -1.135 1.00 0.00 C ATOM 97 CG2 ILE A 7 -30.924 29.043 0.854 1.00 0.00 C ATOM 98 CD1 ILE A 7 -28.472 27.462 -0.859 1.00 0.00 C ATOM 99 H ILE A 7 -30.950 30.023 -3.477 1.00 0.00 H ATOM 100 HA ILE A 7 -31.960 29.829 -1.417 1.00 0.00 H ATOM 101 HB ILE A 7 -29.194 29.738 -0.209 1.00 0.00 H ATOM 102 HG12 ILE A 7 -30.601 27.201 -0.757 1.00 0.00 H ATOM 103 HG13 ILE A 7 -30.041 28.048 -2.199 1.00 0.00 H ATOM 104 HG21 ILE A 7 -30.259 28.660 1.614 1.00 0.00 H ATOM 105 HG22 ILE A 7 -31.714 28.329 0.675 1.00 0.00 H ATOM 106 HG23 ILE A 7 -31.352 29.977 1.189 1.00 0.00 H ATOM 107 HD11 ILE A 7 -28.409 26.395 -1.010 1.00 0.00 H ATOM 108 HD12 ILE A 7 -28.206 27.699 0.160 1.00 0.00 H ATOM 109 HD13 ILE A 7 -27.792 27.963 -1.534 1.00 0.00 H ATOM 110 N MET A 8 -29.943 32.391 -1.171 1.00 0.00 N ATOM 111 CA MET A 8 -29.835 33.761 -0.684 1.00 0.00 C ATOM 112 C MET A 8 -29.533 34.717 -1.835 1.00 0.00 C ATOM 113 O MET A 8 -30.148 35.769 -1.882 1.00 0.00 O ATOM 114 CB MET A 8 -28.727 33.857 0.365 1.00 0.00 C ATOM 115 CG MET A 8 -29.027 32.892 1.515 1.00 0.00 C ATOM 116 SD MET A 8 -27.927 33.251 2.906 1.00 0.00 S ATOM 117 CE MET A 8 -26.365 32.961 2.042 1.00 0.00 C ATOM 118 H MET A 8 -29.262 32.041 -1.782 1.00 0.00 H ATOM 119 HA MET A 8 -30.771 34.046 -0.229 1.00 0.00 H ATOM 120 HB2 MET A 8 -27.780 33.596 -0.086 1.00 0.00 H ATOM 121 HB3 MET A 8 -28.678 34.865 0.748 1.00 0.00 H ATOM 122 HG2 MET A 8 -30.053 33.014 1.827 1.00 0.00 H ATOM 123 HG3 MET A 8 -28.868 31.877 1.184 1.00 0.00 H ATOM 124 HE1 MET A 8 -26.059 33.867 1.536 1.00 0.00 H ATOM 125 HE2 MET A 8 -26.494 32.174 1.316 1.00 0.00 H ATOM 126 HE3 MET A 8 -25.607 32.668 2.757 1.00 0.00 H TER 127 MET A 8 ENDMDL MODEL 5 ATOM 1 N TYR A 1 -27.080 39.311 -3.343 1.00 0.00 N ATOM 2 CA TYR A 1 -28.494 38.883 -3.534 1.00 0.00 C ATOM 3 C TYR A 1 -28.851 38.959 -5.015 1.00 0.00 C ATOM 4 O TYR A 1 -29.599 39.839 -5.439 1.00 0.00 O ATOM 5 CB TYR A 1 -29.416 39.801 -2.728 1.00 0.00 C ATOM 6 CG TYR A 1 -30.752 39.127 -2.532 1.00 0.00 C ATOM 7 CD1 TYR A 1 -30.968 38.310 -1.416 1.00 0.00 C ATOM 8 CD2 TYR A 1 -31.777 39.319 -3.467 1.00 0.00 C ATOM 9 CE1 TYR A 1 -32.208 37.685 -1.234 1.00 0.00 C ATOM 10 CE2 TYR A 1 -33.016 38.694 -3.286 1.00 0.00 C ATOM 11 CZ TYR A 1 -33.232 37.877 -2.171 1.00 0.00 C ATOM 12 OH TYR A 1 -34.454 37.262 -1.992 1.00 0.00 O ATOM 13 H1 TYR A 1 -27.059 40.282 -2.972 1.00 0.00 H ATOM 14 H2 TYR A 1 -26.581 39.277 -4.256 1.00 0.00 H ATOM 15 H3 TYR A 1 -26.612 38.674 -2.668 1.00 0.00 H ATOM 16 HA TYR A 1 -28.610 37.866 -3.190 1.00 0.00 H ATOM 17 HB2 TYR A 1 -28.969 40.002 -1.765 1.00 0.00 H ATOM 18 HB3 TYR A 1 -29.556 40.729 -3.262 1.00 0.00 H ATOM 19 HD1 TYR A 1 -30.178 38.162 -0.694 1.00 0.00 H ATOM 20 HD2 TYR A 1 -31.610 39.949 -4.329 1.00 0.00 H ATOM 21 HE1 TYR A 1 -32.374 37.055 -0.374 1.00 0.00 H ATOM 22 HE2 TYR A 1 -33.807 38.842 -4.008 1.00 0.00 H ATOM 23 HH TYR A 1 -34.409 36.742 -1.186 1.00 0.00 H ATOM 24 N SER A 2 -28.309 38.031 -5.797 1.00 0.00 N ATOM 25 CA SER A 2 -28.577 38.002 -7.230 1.00 0.00 C ATOM 26 C SER A 2 -30.067 37.805 -7.492 1.00 0.00 C ATOM 27 O SER A 2 -30.599 38.282 -8.495 1.00 0.00 O ATOM 28 CB SER A 2 -27.789 36.869 -7.886 1.00 0.00 C ATOM 29 OG SER A 2 -26.437 36.925 -7.451 1.00 0.00 O ATOM 30 H SER A 2 -27.719 37.354 -5.404 1.00 0.00 H ATOM 31 HA SER A 2 -28.266 38.940 -7.663 1.00 0.00 H ATOM 32 HB2 SER A 2 -28.213 35.919 -7.602 1.00 0.00 H ATOM 33 HB3 SER A 2 -27.837 36.973 -8.962 1.00 0.00 H ATOM 34 HG SER A 2 -26.336 36.315 -6.717 1.00 0.00 H ATOM 35 N THR A 3 -30.735 37.101 -6.584 1.00 0.00 N ATOM 36 CA THR A 3 -32.164 36.844 -6.730 1.00 0.00 C ATOM 37 C THR A 3 -32.731 36.230 -5.454 1.00 0.00 C ATOM 38 O THR A 3 -33.750 36.683 -4.935 1.00 0.00 O ATOM 39 CB THR A 3 -32.407 35.898 -7.907 1.00 0.00 C ATOM 40 OG1 THR A 3 -31.316 35.983 -8.813 1.00 0.00 O ATOM 41 CG2 THR A 3 -33.699 36.292 -8.623 1.00 0.00 C ATOM 42 H THR A 3 -30.260 36.748 -5.803 1.00 0.00 H ATOM 43 HA THR A 3 -32.669 37.778 -6.923 1.00 0.00 H ATOM 44 HB THR A 3 -32.495 34.886 -7.543 1.00 0.00 H ATOM 45 HG1 THR A 3 -30.573 35.510 -8.429 1.00 0.00 H ATOM 46 HG21 THR A 3 -33.955 35.533 -9.348 1.00 0.00 H ATOM 47 HG22 THR A 3 -33.558 37.237 -9.125 1.00 0.00 H ATOM 48 HG23 THR A 3 -34.498 36.384 -7.900 1.00 0.00 H ATOM 49 N CYS A 4 -32.062 35.196 -4.954 1.00 0.00 N ATOM 50 CA CYS A 4 -30.859 34.690 -5.605 1.00 0.00 C ATOM 51 C CYS A 4 -31.066 33.265 -6.091 1.00 0.00 C ATOM 52 O CYS A 4 -30.215 32.700 -6.778 1.00 0.00 O ATOM 53 CB CYS A 4 -29.682 34.726 -4.628 1.00 0.00 C ATOM 54 SG CYS A 4 -30.241 34.201 -2.989 1.00 0.00 S ATOM 55 H CYS A 4 -32.383 34.765 -4.134 1.00 0.00 H ATOM 56 HA CYS A 4 -30.629 35.316 -6.452 1.00 0.00 H ATOM 57 HB2 CYS A 4 -28.906 34.060 -4.974 1.00 0.00 H ATOM 58 HB3 CYS A 4 -29.293 35.732 -4.571 1.00 0.00 H ATOM 59 N ASP A 5 -32.202 32.684 -5.723 1.00 0.00 N ATOM 60 CA ASP A 5 -32.514 31.317 -6.125 1.00 0.00 C ATOM 61 C ASP A 5 -31.399 30.367 -5.699 1.00 0.00 C ATOM 62 O ASP A 5 -31.355 29.213 -6.128 1.00 0.00 O ATOM 63 CB ASP A 5 -32.696 31.246 -7.641 1.00 0.00 C ATOM 64 CG ASP A 5 -33.982 31.960 -8.046 1.00 0.00 C ATOM 65 OD1 ASP A 5 -34.752 32.296 -7.162 1.00 0.00 O ATOM 66 OD2 ASP A 5 -34.176 32.159 -9.234 1.00 0.00 O ATOM 67 H ASP A 5 -32.842 33.183 -5.174 1.00 0.00 H ATOM 68 HA ASP A 5 -33.434 31.013 -5.649 1.00 0.00 H ATOM 69 HB2 ASP A 5 -31.855 31.720 -8.126 1.00 0.00 H ATOM 70 HB3 ASP A 5 -32.749 30.212 -7.948 1.00 0.00 H ATOM 71 N PHE A 6 -30.500 30.859 -4.852 1.00 0.00 N ATOM 72 CA PHE A 6 -29.389 30.044 -4.376 1.00 0.00 C ATOM 73 C PHE A 6 -29.209 30.210 -2.870 1.00 0.00 C ATOM 74 O PHE A 6 -28.094 30.401 -2.385 1.00 0.00 O ATOM 75 CB PHE A 6 -28.099 30.449 -5.093 1.00 0.00 C ATOM 76 CG PHE A 6 -28.070 29.825 -6.467 1.00 0.00 C ATOM 77 CD1 PHE A 6 -28.005 28.433 -6.603 1.00 0.00 C ATOM 78 CD2 PHE A 6 -28.107 30.638 -7.606 1.00 0.00 C ATOM 79 CE1 PHE A 6 -27.978 27.854 -7.878 1.00 0.00 C ATOM 80 CE2 PHE A 6 -28.080 30.059 -8.881 1.00 0.00 C ATOM 81 CZ PHE A 6 -28.015 28.668 -9.016 1.00 0.00 C ATOM 82 H PHE A 6 -30.585 31.785 -4.544 1.00 0.00 H ATOM 83 HA PHE A 6 -29.596 29.007 -4.592 1.00 0.00 H ATOM 84 HB2 PHE A 6 -28.061 31.524 -5.184 1.00 0.00 H ATOM 85 HB3 PHE A 6 -27.248 30.105 -4.524 1.00 0.00 H ATOM 86 HD1 PHE A 6 -27.977 27.805 -5.724 1.00 0.00 H ATOM 87 HD2 PHE A 6 -28.156 31.712 -7.501 1.00 0.00 H ATOM 88 HE1 PHE A 6 -27.928 26.781 -7.982 1.00 0.00 H ATOM 89 HE2 PHE A 6 -28.108 30.687 -9.759 1.00 0.00 H ATOM 90 HZ PHE A 6 -27.994 28.221 -10.000 1.00 0.00 H ATOM 91 N ILE A 7 -30.315 30.135 -2.136 1.00 0.00 N ATOM 92 CA ILE A 7 -30.266 30.265 -0.684 1.00 0.00 C ATOM 93 C ILE A 7 -29.893 31.689 -0.285 1.00 0.00 C ATOM 94 O ILE A 7 -30.384 32.211 0.716 1.00 0.00 O ATOM 95 CB ILE A 7 -29.241 29.286 -0.107 1.00 0.00 C ATOM 96 CG1 ILE A 7 -29.471 27.897 -0.706 1.00 0.00 C ATOM 97 CG2 ILE A 7 -29.400 29.218 1.413 1.00 0.00 C ATOM 98 CD1 ILE A 7 -28.122 27.235 -0.991 1.00 0.00 C ATOM 99 H ILE A 7 -31.177 29.991 -2.578 1.00 0.00 H ATOM 100 HA ILE A 7 -31.238 30.029 -0.279 1.00 0.00 H ATOM 101 HB ILE A 7 -28.244 29.625 -0.350 1.00 0.00 H ATOM 102 HG12 ILE A 7 -30.030 27.292 -0.008 1.00 0.00 H ATOM 103 HG13 ILE A 7 -30.025 27.989 -1.628 1.00 0.00 H ATOM 104 HG21 ILE A 7 -28.521 28.764 1.846 1.00 0.00 H ATOM 105 HG22 ILE A 7 -30.269 28.623 1.657 1.00 0.00 H ATOM 106 HG23 ILE A 7 -29.523 30.215 1.807 1.00 0.00 H ATOM 107 HD11 ILE A 7 -27.737 27.591 -1.935 1.00 0.00 H ATOM 108 HD12 ILE A 7 -28.249 26.163 -1.035 1.00 0.00 H ATOM 109 HD13 ILE A 7 -27.426 27.482 -0.203 1.00 0.00 H ATOM 110 N MET A 8 -29.025 32.311 -1.075 1.00 0.00 N ATOM 111 CA MET A 8 -28.565 33.662 -0.773 1.00 0.00 C ATOM 112 C MET A 8 -28.802 34.587 -1.963 1.00 0.00 C ATOM 113 O MET A 8 -28.374 35.727 -1.895 1.00 0.00 O ATOM 114 CB MET A 8 -27.074 33.642 -0.429 1.00 0.00 C ATOM 115 CG MET A 8 -26.848 32.778 0.814 1.00 0.00 C ATOM 116 SD MET A 8 -25.156 33.012 1.412 1.00 0.00 S ATOM 117 CE MET A 8 -24.308 32.457 -0.087 1.00 0.00 C ATOM 118 H MET A 8 -28.686 31.854 -1.873 1.00 0.00 H ATOM 119 HA MET A 8 -29.114 34.037 0.077 1.00 0.00 H ATOM 120 HB2 MET A 8 -26.518 33.232 -1.259 1.00 0.00 H ATOM 121 HB3 MET A 8 -26.737 34.648 -0.231 1.00 0.00 H ATOM 122 HG2 MET A 8 -27.547 33.068 1.585 1.00 0.00 H ATOM 123 HG3 MET A 8 -27.001 31.739 0.563 1.00 0.00 H ATOM 124 HE1 MET A 8 -23.322 32.097 0.171 1.00 0.00 H ATOM 125 HE2 MET A 8 -24.218 33.281 -0.777 1.00 0.00 H ATOM 126 HE3 MET A 8 -24.877 31.663 -0.550 1.00 0.00 H TER 127 MET A 8 ENDMDL MODEL 6 ATOM 1 N TYR A 1 -27.132 39.260 -3.320 1.00 0.00 N ATOM 2 CA TYR A 1 -28.526 38.772 -3.516 1.00 0.00 C ATOM 3 C TYR A 1 -28.895 38.871 -4.992 1.00 0.00 C ATOM 4 O TYR A 1 -29.703 39.713 -5.384 1.00 0.00 O ATOM 5 CB TYR A 1 -29.484 39.623 -2.679 1.00 0.00 C ATOM 6 CG TYR A 1 -30.840 38.960 -2.636 1.00 0.00 C ATOM 7 CD1 TYR A 1 -31.081 37.915 -1.737 1.00 0.00 C ATOM 8 CD2 TYR A 1 -31.857 39.392 -3.497 1.00 0.00 C ATOM 9 CE1 TYR A 1 -32.338 37.301 -1.697 1.00 0.00 C ATOM 10 CE2 TYR A 1 -33.115 38.777 -3.458 1.00 0.00 C ATOM 11 CZ TYR A 1 -33.354 37.732 -2.557 1.00 0.00 C ATOM 12 OH TYR A 1 -34.595 37.127 -2.518 1.00 0.00 O ATOM 13 H1 TYR A 1 -26.499 38.784 -3.994 1.00 0.00 H ATOM 14 H2 TYR A 1 -26.825 39.051 -2.348 1.00 0.00 H ATOM 15 H3 TYR A 1 -27.097 40.286 -3.482 1.00 0.00 H ATOM 16 HA TYR A 1 -28.592 37.741 -3.199 1.00 0.00 H ATOM 17 HB2 TYR A 1 -29.097 39.718 -1.676 1.00 0.00 H ATOM 18 HB3 TYR A 1 -29.576 40.603 -3.124 1.00 0.00 H ATOM 19 HD1 TYR A 1 -30.297 37.583 -1.073 1.00 0.00 H ATOM 20 HD2 TYR A 1 -31.671 40.198 -4.192 1.00 0.00 H ATOM 21 HE1 TYR A 1 -32.524 36.496 -1.002 1.00 0.00 H ATOM 22 HE2 TYR A 1 -33.898 39.110 -4.121 1.00 0.00 H ATOM 23 HH TYR A 1 -34.482 36.246 -2.155 1.00 0.00 H ATOM 24 N SER A 2 -28.297 38.008 -5.806 1.00 0.00 N ATOM 25 CA SER A 2 -28.571 38.008 -7.238 1.00 0.00 C ATOM 26 C SER A 2 -30.061 37.815 -7.499 1.00 0.00 C ATOM 27 O SER A 2 -30.593 38.295 -8.500 1.00 0.00 O ATOM 28 CB SER A 2 -27.782 36.890 -7.920 1.00 0.00 C ATOM 29 OG SER A 2 -26.423 36.957 -7.510 1.00 0.00 O ATOM 30 H SER A 2 -27.662 37.360 -5.437 1.00 0.00 H ATOM 31 HA SER A 2 -28.262 38.955 -7.654 1.00 0.00 H ATOM 32 HB2 SER A 2 -28.191 35.934 -7.638 1.00 0.00 H ATOM 33 HB3 SER A 2 -27.852 37.005 -8.995 1.00 0.00 H ATOM 34 HG SER A 2 -26.303 37.769 -7.013 1.00 0.00 H ATOM 35 N THR A 3 -30.729 37.109 -6.592 1.00 0.00 N ATOM 36 CA THR A 3 -32.158 36.856 -6.737 1.00 0.00 C ATOM 37 C THR A 3 -32.725 36.246 -5.459 1.00 0.00 C ATOM 38 O THR A 3 -33.744 36.703 -4.940 1.00 0.00 O ATOM 39 CB THR A 3 -32.405 35.907 -7.911 1.00 0.00 C ATOM 40 OG1 THR A 3 -31.315 35.988 -8.819 1.00 0.00 O ATOM 41 CG2 THR A 3 -33.698 36.301 -8.626 1.00 0.00 C ATOM 42 H THR A 3 -30.253 36.753 -5.814 1.00 0.00 H ATOM 43 HA THR A 3 -32.661 37.790 -6.933 1.00 0.00 H ATOM 44 HB THR A 3 -32.494 34.896 -7.546 1.00 0.00 H ATOM 45 HG1 THR A 3 -30.571 35.521 -8.433 1.00 0.00 H ATOM 46 HG21 THR A 3 -34.518 36.280 -7.923 1.00 0.00 H ATOM 47 HG22 THR A 3 -33.894 35.604 -9.428 1.00 0.00 H ATOM 48 HG23 THR A 3 -33.597 37.297 -9.031 1.00 0.00 H ATOM 49 N CYS A 4 -32.060 35.211 -4.957 1.00 0.00 N ATOM 50 CA CYS A 4 -30.859 34.700 -5.608 1.00 0.00 C ATOM 51 C CYS A 4 -31.067 33.275 -6.088 1.00 0.00 C ATOM 52 O CYS A 4 -30.219 32.708 -6.775 1.00 0.00 O ATOM 53 CB CYS A 4 -29.680 34.739 -4.632 1.00 0.00 C ATOM 54 SG CYS A 4 -30.240 34.228 -2.989 1.00 0.00 S ATOM 55 H CYS A 4 -32.382 34.784 -4.135 1.00 0.00 H ATOM 56 HA CYS A 4 -30.628 35.324 -6.457 1.00 0.00 H ATOM 57 HB2 CYS A 4 -28.907 34.067 -4.975 1.00 0.00 H ATOM 58 HB3 CYS A 4 -29.288 35.744 -4.583 1.00 0.00 H ATOM 59 N ASP A 5 -32.204 32.696 -5.717 1.00 0.00 N ATOM 60 CA ASP A 5 -32.517 31.327 -6.112 1.00 0.00 C ATOM 61 C ASP A 5 -31.401 30.378 -5.688 1.00 0.00 C ATOM 62 O ASP A 5 -31.366 29.220 -6.105 1.00 0.00 O ATOM 63 CB ASP A 5 -32.704 31.252 -7.630 1.00 0.00 C ATOM 64 CG ASP A 5 -33.994 31.959 -8.031 1.00 0.00 C ATOM 65 OD1 ASP A 5 -34.756 32.306 -7.145 1.00 0.00 O ATOM 66 OD2 ASP A 5 -34.200 32.141 -9.220 1.00 0.00 O ATOM 67 H ASP A 5 -32.843 33.195 -5.168 1.00 0.00 H ATOM 68 HA ASP A 5 -33.436 31.025 -5.633 1.00 0.00 H ATOM 69 HB2 ASP A 5 -31.867 31.729 -8.117 1.00 0.00 H ATOM 70 HB3 ASP A 5 -32.754 30.217 -7.933 1.00 0.00 H ATOM 71 N PHE A 6 -30.492 30.876 -4.856 1.00 0.00 N ATOM 72 CA PHE A 6 -29.378 30.063 -4.382 1.00 0.00 C ATOM 73 C PHE A 6 -29.198 30.228 -2.876 1.00 0.00 C ATOM 74 O PHE A 6 -28.082 30.419 -2.392 1.00 0.00 O ATOM 75 CB PHE A 6 -28.091 30.472 -5.100 1.00 0.00 C ATOM 76 CG PHE A 6 -28.061 29.850 -6.475 1.00 0.00 C ATOM 77 CD1 PHE A 6 -27.995 28.458 -6.613 1.00 0.00 C ATOM 78 CD2 PHE A 6 -28.101 30.665 -7.612 1.00 0.00 C ATOM 79 CE1 PHE A 6 -27.968 27.881 -7.889 1.00 0.00 C ATOM 80 CE2 PHE A 6 -28.074 30.088 -8.888 1.00 0.00 C ATOM 81 CZ PHE A 6 -28.008 28.697 -9.026 1.00 0.00 C ATOM 82 H PHE A 6 -30.572 31.806 -4.556 1.00 0.00 H ATOM 83 HA PHE A 6 -29.584 29.026 -4.599 1.00 0.00 H ATOM 84 HB2 PHE A 6 -28.055 31.547 -5.190 1.00 0.00 H ATOM 85 HB3 PHE A 6 -27.238 30.128 -4.533 1.00 0.00 H ATOM 86 HD1 PHE A 6 -27.965 27.830 -5.736 1.00 0.00 H ATOM 87 HD2 PHE A 6 -28.152 31.738 -7.506 1.00 0.00 H ATOM 88 HE1 PHE A 6 -27.917 26.808 -7.995 1.00 0.00 H ATOM 89 HE2 PHE A 6 -28.104 30.717 -9.766 1.00 0.00 H ATOM 90 HZ PHE A 6 -27.987 28.252 -10.010 1.00 0.00 H ATOM 91 N ILE A 7 -30.303 30.152 -2.141 1.00 0.00 N ATOM 92 CA ILE A 7 -30.253 30.279 -0.689 1.00 0.00 C ATOM 93 C ILE A 7 -29.881 31.703 -0.289 1.00 0.00 C ATOM 94 O ILE A 7 -30.368 32.223 0.715 1.00 0.00 O ATOM 95 CB ILE A 7 -29.226 29.302 -0.114 1.00 0.00 C ATOM 96 CG1 ILE A 7 -29.454 27.913 -0.715 1.00 0.00 C ATOM 97 CG2 ILE A 7 -29.384 29.230 1.406 1.00 0.00 C ATOM 98 CD1 ILE A 7 -28.104 27.253 -1.002 1.00 0.00 C ATOM 99 H ILE A 7 -31.166 30.008 -2.582 1.00 0.00 H ATOM 100 HA ILE A 7 -31.224 30.042 -0.283 1.00 0.00 H ATOM 101 HB ILE A 7 -28.230 29.643 -0.357 1.00 0.00 H ATOM 102 HG12 ILE A 7 -30.012 27.306 -0.018 1.00 0.00 H ATOM 103 HG13 ILE A 7 -30.010 28.006 -1.637 1.00 0.00 H ATOM 104 HG21 ILE A 7 -30.250 28.633 1.649 1.00 0.00 H ATOM 105 HG22 ILE A 7 -29.510 30.226 1.802 1.00 0.00 H ATOM 106 HG23 ILE A 7 -28.502 28.780 1.838 1.00 0.00 H ATOM 107 HD11 ILE A 7 -27.408 27.501 -0.215 1.00 0.00 H ATOM 108 HD12 ILE A 7 -27.721 27.609 -1.947 1.00 0.00 H ATOM 109 HD13 ILE A 7 -28.230 26.181 -1.046 1.00 0.00 H ATOM 110 N MET A 8 -29.016 32.329 -1.080 1.00 0.00 N ATOM 111 CA MET A 8 -28.559 33.680 -0.778 1.00 0.00 C ATOM 112 C MET A 8 -28.793 34.604 -1.968 1.00 0.00 C ATOM 113 O MET A 8 -28.358 35.743 -1.905 1.00 0.00 O ATOM 114 CB MET A 8 -27.069 33.661 -0.431 1.00 0.00 C ATOM 115 CG MET A 8 -26.844 32.794 0.810 1.00 0.00 C ATOM 116 SD MET A 8 -25.153 33.026 1.411 1.00 0.00 S ATOM 117 CE MET A 8 -25.213 31.798 2.739 1.00 0.00 C ATOM 118 H MET A 8 -28.681 31.875 -1.881 1.00 0.00 H ATOM 119 HA MET A 8 -29.109 34.056 0.071 1.00 0.00 H ATOM 120 HB2 MET A 8 -26.511 33.254 -1.262 1.00 0.00 H ATOM 121 HB3 MET A 8 -26.733 34.667 -0.229 1.00 0.00 H ATOM 122 HG2 MET A 8 -27.543 33.081 1.581 1.00 0.00 H ATOM 123 HG3 MET A 8 -26.996 31.756 0.555 1.00 0.00 H ATOM 124 HE1 MET A 8 -25.142 30.806 2.314 1.00 0.00 H ATOM 125 HE2 MET A 8 -26.144 31.891 3.274 1.00 0.00 H ATOM 126 HE3 MET A 8 -24.390 31.965 3.419 1.00 0.00 H TER 127 MET A 8 ENDMDL MODEL 7 ATOM 1 N TYR A 1 -26.714 39.277 -4.048 1.00 0.00 N ATOM 2 CA TYR A 1 -28.167 38.961 -3.955 1.00 0.00 C ATOM 3 C TYR A 1 -28.750 38.842 -5.359 1.00 0.00 C ATOM 4 O TYR A 1 -29.517 39.699 -5.799 1.00 0.00 O ATOM 5 CB TYR A 1 -28.879 40.077 -3.187 1.00 0.00 C ATOM 6 CG TYR A 1 -30.205 39.569 -2.675 1.00 0.00 C ATOM 7 CD1 TYR A 1 -30.283 38.964 -1.414 1.00 0.00 C ATOM 8 CD2 TYR A 1 -31.358 39.700 -3.460 1.00 0.00 C ATOM 9 CE1 TYR A 1 -31.513 38.492 -0.939 1.00 0.00 C ATOM 10 CE2 TYR A 1 -32.586 39.228 -2.985 1.00 0.00 C ATOM 11 CZ TYR A 1 -32.665 38.625 -1.724 1.00 0.00 C ATOM 12 OH TYR A 1 -33.877 38.158 -1.256 1.00 0.00 O ATOM 13 H1 TYR A 1 -26.159 38.430 -3.810 1.00 0.00 H ATOM 14 H2 TYR A 1 -26.482 40.043 -3.383 1.00 0.00 H ATOM 15 H3 TYR A 1 -26.485 39.577 -5.016 1.00 0.00 H ATOM 16 HA TYR A 1 -28.298 38.026 -3.432 1.00 0.00 H ATOM 17 HB2 TYR A 1 -28.267 40.388 -2.354 1.00 0.00 H ATOM 18 HB3 TYR A 1 -29.048 40.917 -3.845 1.00 0.00 H ATOM 19 HD1 TYR A 1 -29.395 38.862 -0.809 1.00 0.00 H ATOM 20 HD2 TYR A 1 -31.297 40.167 -4.433 1.00 0.00 H ATOM 21 HE1 TYR A 1 -31.573 38.025 0.033 1.00 0.00 H ATOM 22 HE2 TYR A 1 -33.475 39.331 -3.590 1.00 0.00 H ATOM 23 HH TYR A 1 -33.915 37.214 -1.420 1.00 0.00 H ATOM 24 N SER A 2 -28.381 37.773 -6.058 1.00 0.00 N ATOM 25 CA SER A 2 -28.874 37.552 -7.413 1.00 0.00 C ATOM 26 C SER A 2 -30.394 37.414 -7.414 1.00 0.00 C ATOM 27 O SER A 2 -31.056 37.754 -8.395 1.00 0.00 O ATOM 28 CB SER A 2 -28.245 36.287 -7.996 1.00 0.00 C ATOM 29 OG SER A 2 -26.842 36.311 -7.768 1.00 0.00 O ATOM 30 H SER A 2 -27.767 37.124 -5.656 1.00 0.00 H ATOM 31 HA SER A 2 -28.597 38.394 -8.028 1.00 0.00 H ATOM 32 HB2 SER A 2 -28.667 35.418 -7.518 1.00 0.00 H ATOM 33 HB3 SER A 2 -28.448 36.242 -9.058 1.00 0.00 H ATOM 34 HG SER A 2 -26.692 36.654 -6.884 1.00 0.00 H ATOM 35 N THR A 3 -30.938 36.915 -6.310 1.00 0.00 N ATOM 36 CA THR A 3 -32.381 36.734 -6.197 1.00 0.00 C ATOM 37 C THR A 3 -32.771 36.432 -4.753 1.00 0.00 C ATOM 38 O THR A 3 -33.665 37.069 -4.196 1.00 0.00 O ATOM 39 CB THR A 3 -32.836 35.587 -7.101 1.00 0.00 C ATOM 40 OG1 THR A 3 -31.833 35.326 -8.072 1.00 0.00 O ATOM 41 CG2 THR A 3 -34.139 35.973 -7.802 1.00 0.00 C ATOM 42 H THR A 3 -30.361 36.664 -5.559 1.00 0.00 H ATOM 43 HA THR A 3 -32.874 37.641 -6.511 1.00 0.00 H ATOM 44 HB THR A 3 -33.001 34.702 -6.506 1.00 0.00 H ATOM 45 HG1 THR A 3 -31.852 36.035 -8.717 1.00 0.00 H ATOM 46 HG21 THR A 3 -34.480 35.147 -8.409 1.00 0.00 H ATOM 47 HG22 THR A 3 -33.969 36.835 -8.430 1.00 0.00 H ATOM 48 HG23 THR A 3 -34.890 36.208 -7.062 1.00 0.00 H ATOM 49 N CYS A 4 -32.095 35.457 -4.154 1.00 0.00 N ATOM 50 CA CYS A 4 -31.045 34.727 -4.855 1.00 0.00 C ATOM 51 C CYS A 4 -31.436 33.257 -5.015 1.00 0.00 C ATOM 52 O CYS A 4 -31.765 32.573 -4.046 1.00 0.00 O ATOM 53 CB CYS A 4 -29.726 34.848 -4.090 1.00 0.00 C ATOM 54 SG CYS A 4 -30.068 35.177 -2.344 1.00 0.00 S ATOM 55 H CYS A 4 -32.306 35.225 -3.226 1.00 0.00 H ATOM 56 HA CYS A 4 -30.918 35.153 -5.838 1.00 0.00 H ATOM 57 HB2 CYS A 4 -29.172 33.924 -4.180 1.00 0.00 H ATOM 58 HB3 CYS A 4 -29.144 35.658 -4.502 1.00 0.00 H ATOM 59 N ASP A 5 -31.392 32.783 -6.255 1.00 0.00 N ATOM 60 CA ASP A 5 -31.738 31.396 -6.544 1.00 0.00 C ATOM 61 C ASP A 5 -30.935 30.448 -5.658 1.00 0.00 C ATOM 62 O ASP A 5 -31.371 29.333 -5.372 1.00 0.00 O ATOM 63 CB ASP A 5 -31.456 31.083 -8.015 1.00 0.00 C ATOM 64 CG ASP A 5 -32.475 31.789 -8.903 1.00 0.00 C ATOM 65 OD1 ASP A 5 -33.431 32.324 -8.364 1.00 0.00 O ATOM 66 OD2 ASP A 5 -32.286 31.785 -10.107 1.00 0.00 O ATOM 67 H ASP A 5 -31.123 33.375 -6.988 1.00 0.00 H ATOM 68 HA ASP A 5 -32.790 31.249 -6.352 1.00 0.00 H ATOM 69 HB2 ASP A 5 -30.463 31.423 -8.269 1.00 0.00 H ATOM 70 HB3 ASP A 5 -31.522 30.017 -8.174 1.00 0.00 H ATOM 71 N PHE A 6 -29.762 30.899 -5.228 1.00 0.00 N ATOM 72 CA PHE A 6 -28.903 30.079 -4.382 1.00 0.00 C ATOM 73 C PHE A 6 -29.332 30.184 -2.921 1.00 0.00 C ATOM 74 O PHE A 6 -28.526 29.989 -2.012 1.00 0.00 O ATOM 75 CB PHE A 6 -27.448 30.529 -4.521 1.00 0.00 C ATOM 76 CG PHE A 6 -26.742 29.644 -5.520 1.00 0.00 C ATOM 77 CD1 PHE A 6 -27.396 29.251 -6.694 1.00 0.00 C ATOM 78 CD2 PHE A 6 -25.431 29.218 -5.273 1.00 0.00 C ATOM 79 CE1 PHE A 6 -26.741 28.431 -7.619 1.00 0.00 C ATOM 80 CE2 PHE A 6 -24.775 28.398 -6.200 1.00 0.00 C ATOM 81 CZ PHE A 6 -25.431 28.004 -7.373 1.00 0.00 C ATOM 82 H PHE A 6 -29.468 31.798 -5.483 1.00 0.00 H ATOM 83 HA PHE A 6 -28.981 29.049 -4.696 1.00 0.00 H ATOM 84 HB2 PHE A 6 -27.420 31.554 -4.864 1.00 0.00 H ATOM 85 HB3 PHE A 6 -26.954 30.455 -3.564 1.00 0.00 H ATOM 86 HD1 PHE A 6 -28.406 29.580 -6.884 1.00 0.00 H ATOM 87 HD2 PHE A 6 -24.925 29.521 -4.368 1.00 0.00 H ATOM 88 HE1 PHE A 6 -27.246 28.128 -8.524 1.00 0.00 H ATOM 89 HE2 PHE A 6 -23.765 28.068 -6.009 1.00 0.00 H ATOM 90 HZ PHE A 6 -24.925 27.372 -8.087 1.00 0.00 H ATOM 91 N ILE A 7 -30.606 30.495 -2.705 1.00 0.00 N ATOM 92 CA ILE A 7 -31.132 30.619 -1.351 1.00 0.00 C ATOM 93 C ILE A 7 -30.591 31.876 -0.678 1.00 0.00 C ATOM 94 O ILE A 7 -31.239 32.450 0.198 1.00 0.00 O ATOM 95 CB ILE A 7 -30.745 29.391 -0.525 1.00 0.00 C ATOM 96 CG1 ILE A 7 -31.041 28.123 -1.331 1.00 0.00 C ATOM 97 CG2 ILE A 7 -31.555 29.369 0.771 1.00 0.00 C ATOM 98 CD1 ILE A 7 -29.779 27.264 -1.415 1.00 0.00 C ATOM 99 H ILE A 7 -31.202 30.643 -3.468 1.00 0.00 H ATOM 100 HA ILE A 7 -32.209 30.682 -1.397 1.00 0.00 H ATOM 101 HB ILE A 7 -29.691 29.432 -0.290 1.00 0.00 H ATOM 102 HG12 ILE A 7 -31.827 27.563 -0.844 1.00 0.00 H ATOM 103 HG13 ILE A 7 -31.356 28.394 -2.327 1.00 0.00 H ATOM 104 HG21 ILE A 7 -31.570 30.359 1.203 1.00 0.00 H ATOM 105 HG22 ILE A 7 -31.101 28.680 1.469 1.00 0.00 H ATOM 106 HG23 ILE A 7 -32.566 29.053 0.560 1.00 0.00 H ATOM 107 HD11 ILE A 7 -29.337 27.177 -0.433 1.00 0.00 H ATOM 108 HD12 ILE A 7 -29.072 27.726 -2.087 1.00 0.00 H ATOM 109 HD13 ILE A 7 -30.035 26.280 -1.781 1.00 0.00 H ATOM 110 N MET A 8 -29.402 32.298 -1.093 1.00 0.00 N ATOM 111 CA MET A 8 -28.767 33.469 -0.499 1.00 0.00 C ATOM 112 C MET A 8 -28.565 34.560 -1.546 1.00 0.00 C ATOM 113 O MET A 8 -27.576 35.267 -1.453 1.00 0.00 O ATOM 114 CB MET A 8 -27.415 33.080 0.103 1.00 0.00 C ATOM 115 CG MET A 8 -27.634 32.121 1.274 1.00 0.00 C ATOM 116 SD MET A 8 -26.073 31.882 2.159 1.00 0.00 S ATOM 117 CE MET A 8 -25.130 31.197 0.774 1.00 0.00 C ATOM 118 H MET A 8 -28.944 31.815 -1.812 1.00 0.00 H ATOM 119 HA MET A 8 -29.402 33.850 0.287 1.00 0.00 H ATOM 120 HB2 MET A 8 -26.811 32.598 -0.651 1.00 0.00 H ATOM 121 HB3 MET A 8 -26.910 33.967 0.457 1.00 0.00 H ATOM 122 HG2 MET A 8 -28.369 32.536 1.948 1.00 0.00 H ATOM 123 HG3 MET A 8 -27.984 31.170 0.900 1.00 0.00 H ATOM 124 HE1 MET A 8 -25.791 30.625 0.137 1.00 0.00 H ATOM 125 HE2 MET A 8 -24.352 30.553 1.150 1.00 0.00 H ATOM 126 HE3 MET A 8 -24.686 32.004 0.208 1.00 0.00 H TER 127 MET A 8 ENDMDL MODEL 8 ATOM 1 N TYR A 1 -26.704 39.304 -4.084 1.00 0.00 N ATOM 2 CA TYR A 1 -28.156 38.984 -3.979 1.00 0.00 C ATOM 3 C TYR A 1 -28.749 38.859 -5.378 1.00 0.00 C ATOM 4 O TYR A 1 -29.523 39.713 -5.814 1.00 0.00 O ATOM 5 CB TYR A 1 -28.866 40.099 -3.208 1.00 0.00 C ATOM 6 CG TYR A 1 -30.185 39.588 -2.683 1.00 0.00 C ATOM 7 CD1 TYR A 1 -30.250 38.987 -1.420 1.00 0.00 C ATOM 8 CD2 TYR A 1 -31.344 39.714 -3.458 1.00 0.00 C ATOM 9 CE1 TYR A 1 -31.474 38.512 -0.933 1.00 0.00 C ATOM 10 CE2 TYR A 1 -32.568 39.239 -2.971 1.00 0.00 C ATOM 11 CZ TYR A 1 -32.633 38.639 -1.708 1.00 0.00 C ATOM 12 OH TYR A 1 -33.839 38.170 -1.228 1.00 0.00 O ATOM 13 H1 TYR A 1 -26.254 38.653 -4.757 1.00 0.00 H ATOM 14 H2 TYR A 1 -26.259 39.199 -3.148 1.00 0.00 H ATOM 15 H3 TYR A 1 -26.587 40.281 -4.417 1.00 0.00 H ATOM 16 HA TYR A 1 -28.280 38.049 -3.452 1.00 0.00 H ATOM 17 HB2 TYR A 1 -28.247 40.416 -2.381 1.00 0.00 H ATOM 18 HB3 TYR A 1 -29.042 40.937 -3.868 1.00 0.00 H ATOM 19 HD1 TYR A 1 -29.356 38.889 -0.821 1.00 0.00 H ATOM 20 HD2 TYR A 1 -31.294 40.177 -4.432 1.00 0.00 H ATOM 21 HE1 TYR A 1 -31.523 38.048 0.042 1.00 0.00 H ATOM 22 HE2 TYR A 1 -33.462 39.336 -3.569 1.00 0.00 H ATOM 23 HH TYR A 1 -33.820 37.211 -1.262 1.00 0.00 H ATOM 24 N SER A 2 -28.382 37.791 -6.077 1.00 0.00 N ATOM 25 CA SER A 2 -28.885 37.563 -7.428 1.00 0.00 C ATOM 26 C SER A 2 -30.403 37.418 -7.416 1.00 0.00 C ATOM 27 O SER A 2 -31.075 37.749 -8.393 1.00 0.00 O ATOM 28 CB SER A 2 -28.254 36.301 -8.014 1.00 0.00 C ATOM 29 OG SER A 2 -26.849 36.335 -7.798 1.00 0.00 O ATOM 30 H SER A 2 -27.763 37.144 -5.679 1.00 0.00 H ATOM 31 HA SER A 2 -28.618 38.407 -8.048 1.00 0.00 H ATOM 32 HB2 SER A 2 -28.666 35.432 -7.530 1.00 0.00 H ATOM 33 HB3 SER A 2 -28.464 36.254 -9.075 1.00 0.00 H ATOM 34 HG SER A 2 -26.530 37.204 -8.051 1.00 0.00 H ATOM 35 N THR A 3 -30.936 36.920 -6.305 1.00 0.00 N ATOM 36 CA THR A 3 -32.377 36.733 -6.179 1.00 0.00 C ATOM 37 C THR A 3 -32.753 36.433 -4.732 1.00 0.00 C ATOM 38 O THR A 3 -33.643 37.070 -4.167 1.00 0.00 O ATOM 39 CB THR A 3 -32.833 35.581 -7.076 1.00 0.00 C ATOM 40 OG1 THR A 3 -31.827 35.307 -8.042 1.00 0.00 O ATOM 41 CG2 THR A 3 -34.132 35.967 -7.786 1.00 0.00 C ATOM 42 H THR A 3 -30.351 36.677 -5.558 1.00 0.00 H ATOM 43 HA THR A 3 -32.878 37.636 -6.492 1.00 0.00 H ATOM 44 HB THR A 3 -33.005 34.701 -6.476 1.00 0.00 H ATOM 45 HG1 THR A 3 -31.774 36.059 -8.636 1.00 0.00 H ATOM 46 HG21 THR A 3 -34.840 36.344 -7.062 1.00 0.00 H ATOM 47 HG22 THR A 3 -34.547 35.099 -8.276 1.00 0.00 H ATOM 48 HG23 THR A 3 -33.927 36.732 -8.521 1.00 0.00 H ATOM 49 N CYS A 4 -32.071 35.459 -4.137 1.00 0.00 N ATOM 50 CA CYS A 4 -31.027 34.729 -4.846 1.00 0.00 C ATOM 51 C CYS A 4 -31.420 33.259 -5.005 1.00 0.00 C ATOM 52 O CYS A 4 -31.743 32.573 -4.035 1.00 0.00 O ATOM 53 CB CYS A 4 -29.702 34.850 -4.092 1.00 0.00 C ATOM 54 SG CYS A 4 -30.030 35.219 -2.351 1.00 0.00 S ATOM 55 H CYS A 4 -32.273 35.228 -3.207 1.00 0.00 H ATOM 56 HA CYS A 4 -30.907 35.156 -5.831 1.00 0.00 H ATOM 57 HB2 CYS A 4 -29.159 33.918 -4.166 1.00 0.00 H ATOM 58 HB3 CYS A 4 -29.112 35.645 -4.524 1.00 0.00 H ATOM 59 N ASP A 5 -31.385 32.786 -6.247 1.00 0.00 N ATOM 60 CA ASP A 5 -31.733 31.400 -6.535 1.00 0.00 C ATOM 61 C ASP A 5 -30.932 30.450 -5.649 1.00 0.00 C ATOM 62 O ASP A 5 -31.373 29.339 -5.356 1.00 0.00 O ATOM 63 CB ASP A 5 -31.452 31.087 -8.007 1.00 0.00 C ATOM 64 CG ASP A 5 -32.473 31.791 -8.893 1.00 0.00 C ATOM 65 OD1 ASP A 5 -33.421 32.336 -8.353 1.00 0.00 O ATOM 66 OD2 ASP A 5 -32.292 31.775 -10.099 1.00 0.00 O ATOM 67 H ASP A 5 -31.119 33.380 -6.980 1.00 0.00 H ATOM 68 HA ASP A 5 -32.785 31.255 -6.343 1.00 0.00 H ATOM 69 HB2 ASP A 5 -30.460 31.427 -8.262 1.00 0.00 H ATOM 70 HB3 ASP A 5 -31.517 30.021 -8.164 1.00 0.00 H ATOM 71 N PHE A 6 -29.754 30.897 -5.226 1.00 0.00 N ATOM 72 CA PHE A 6 -28.895 30.074 -4.381 1.00 0.00 C ATOM 73 C PHE A 6 -29.333 30.166 -2.923 1.00 0.00 C ATOM 74 O PHE A 6 -28.533 29.957 -2.010 1.00 0.00 O ATOM 75 CB PHE A 6 -27.442 30.532 -4.510 1.00 0.00 C ATOM 76 CG PHE A 6 -26.721 29.648 -5.499 1.00 0.00 C ATOM 77 CD1 PHE A 6 -27.360 29.253 -6.681 1.00 0.00 C ATOM 78 CD2 PHE A 6 -25.414 29.223 -5.234 1.00 0.00 C ATOM 79 CE1 PHE A 6 -26.692 28.434 -7.598 1.00 0.00 C ATOM 80 CE2 PHE A 6 -24.745 28.403 -6.151 1.00 0.00 C ATOM 81 CZ PHE A 6 -25.384 28.008 -7.333 1.00 0.00 C ATOM 82 H PHE A 6 -29.457 31.794 -5.487 1.00 0.00 H ATOM 83 HA PHE A 6 -28.967 29.046 -4.704 1.00 0.00 H ATOM 84 HB2 PHE A 6 -27.416 31.555 -4.855 1.00 0.00 H ATOM 85 HB3 PHE A 6 -26.957 30.465 -3.548 1.00 0.00 H ATOM 86 HD1 PHE A 6 -28.368 29.582 -6.884 1.00 0.00 H ATOM 87 HD2 PHE A 6 -24.921 29.527 -4.323 1.00 0.00 H ATOM 88 HE1 PHE A 6 -27.184 28.130 -8.509 1.00 0.00 H ATOM 89 HE2 PHE A 6 -23.737 28.075 -5.947 1.00 0.00 H ATOM 90 HZ PHE A 6 -24.869 27.376 -8.041 1.00 0.00 H ATOM 91 N ILE A 7 -30.607 30.479 -2.710 1.00 0.00 N ATOM 92 CA ILE A 7 -31.141 30.590 -1.358 1.00 0.00 C ATOM 93 C ILE A 7 -30.619 31.851 -0.677 1.00 0.00 C ATOM 94 O ILE A 7 -31.276 32.413 0.200 1.00 0.00 O ATOM 95 CB ILE A 7 -30.744 29.364 -0.537 1.00 0.00 C ATOM 96 CG1 ILE A 7 -31.013 28.096 -1.352 1.00 0.00 C ATOM 97 CG2 ILE A 7 -31.565 29.322 0.752 1.00 0.00 C ATOM 98 CD1 ILE A 7 -29.753 27.230 -1.383 1.00 0.00 C ATOM 99 H ILE A 7 -31.198 30.638 -3.476 1.00 0.00 H ATOM 100 HA ILE A 7 -32.218 30.641 -1.410 1.00 0.00 H ATOM 101 HB ILE A 7 -29.693 29.420 -0.292 1.00 0.00 H ATOM 102 HG12 ILE A 7 -31.822 27.542 -0.897 1.00 0.00 H ATOM 103 HG13 ILE A 7 -31.286 28.368 -2.361 1.00 0.00 H ATOM 104 HG21 ILE A 7 -32.569 28.994 0.529 1.00 0.00 H ATOM 105 HG22 ILE A 7 -31.599 30.310 1.189 1.00 0.00 H ATOM 106 HG23 ILE A 7 -31.107 28.636 1.450 1.00 0.00 H ATOM 107 HD11 ILE A 7 -29.345 27.153 -0.386 1.00 0.00 H ATOM 108 HD12 ILE A 7 -29.022 27.681 -2.037 1.00 0.00 H ATOM 109 HD13 ILE A 7 -30.002 26.244 -1.747 1.00 0.00 H ATOM 110 N MET A 8 -29.434 32.292 -1.089 1.00 0.00 N ATOM 111 CA MET A 8 -28.816 33.468 -0.486 1.00 0.00 C ATOM 112 C MET A 8 -28.560 34.539 -1.542 1.00 0.00 C ATOM 113 O MET A 8 -27.539 35.200 -1.450 1.00 0.00 O ATOM 114 CB MET A 8 -27.495 33.080 0.181 1.00 0.00 C ATOM 115 CG MET A 8 -27.771 32.119 1.339 1.00 0.00 C ATOM 116 SD MET A 8 -26.249 31.860 2.283 1.00 0.00 S ATOM 117 CE MET A 8 -26.899 30.618 3.426 1.00 0.00 C ATOM 118 H MET A 8 -28.967 31.818 -1.809 1.00 0.00 H ATOM 119 HA MET A 8 -29.482 33.868 0.264 1.00 0.00 H ATOM 120 HB2 MET A 8 -26.854 32.598 -0.543 1.00 0.00 H ATOM 121 HB3 MET A 8 -27.010 33.967 0.560 1.00 0.00 H ATOM 122 HG2 MET A 8 -28.527 32.541 1.985 1.00 0.00 H ATOM 123 HG3 MET A 8 -28.117 31.174 0.948 1.00 0.00 H ATOM 124 HE1 MET A 8 -27.484 29.894 2.876 1.00 0.00 H ATOM 125 HE2 MET A 8 -27.525 31.097 4.162 1.00 0.00 H ATOM 126 HE3 MET A 8 -26.077 30.122 3.924 1.00 0.00 H TER 127 MET A 8 ENDMDL MODEL 9 ATOM 1 N TYR A 1 -26.586 38.938 -3.898 1.00 0.00 N ATOM 2 CA TYR A 1 -28.026 38.584 -3.748 1.00 0.00 C ATOM 3 C TYR A 1 -28.703 38.634 -5.114 1.00 0.00 C ATOM 4 O TYR A 1 -29.489 39.540 -5.395 1.00 0.00 O ATOM 5 CB TYR A 1 -28.696 39.577 -2.797 1.00 0.00 C ATOM 6 CG TYR A 1 -30.058 39.057 -2.402 1.00 0.00 C ATOM 7 CD1 TYR A 1 -30.176 38.110 -1.378 1.00 0.00 C ATOM 8 CD2 TYR A 1 -31.202 39.522 -3.061 1.00 0.00 C ATOM 9 CE1 TYR A 1 -31.439 37.627 -1.013 1.00 0.00 C ATOM 10 CE2 TYR A 1 -32.464 39.040 -2.696 1.00 0.00 C ATOM 11 CZ TYR A 1 -32.583 38.092 -1.672 1.00 0.00 C ATOM 12 OH TYR A 1 -33.827 37.617 -1.312 1.00 0.00 O ATOM 13 H1 TYR A 1 -26.257 38.657 -4.843 1.00 0.00 H ATOM 14 H2 TYR A 1 -26.031 38.439 -3.173 1.00 0.00 H ATOM 15 H3 TYR A 1 -26.468 39.964 -3.782 1.00 0.00 H ATOM 16 HA TYR A 1 -28.110 37.587 -3.343 1.00 0.00 H ATOM 17 HB2 TYR A 1 -28.086 39.696 -1.912 1.00 0.00 H ATOM 18 HB3 TYR A 1 -28.805 40.531 -3.290 1.00 0.00 H ATOM 19 HD1 TYR A 1 -29.293 37.751 -0.870 1.00 0.00 H ATOM 20 HD2 TYR A 1 -31.111 40.253 -3.851 1.00 0.00 H ATOM 21 HE1 TYR A 1 -31.530 36.897 -0.223 1.00 0.00 H ATOM 22 HE2 TYR A 1 -33.348 39.399 -3.205 1.00 0.00 H ATOM 23 HH TYR A 1 -33.773 37.296 -0.408 1.00 0.00 H ATOM 24 N SER A 2 -28.394 37.656 -5.959 1.00 0.00 N ATOM 25 CA SER A 2 -28.979 37.600 -7.294 1.00 0.00 C ATOM 26 C SER A 2 -30.501 37.538 -7.210 1.00 0.00 C ATOM 27 O SER A 2 -31.201 38.051 -8.083 1.00 0.00 O ATOM 28 CB SER A 2 -28.457 36.372 -8.040 1.00 0.00 C ATOM 29 OG SER A 2 -27.041 36.316 -7.921 1.00 0.00 O ATOM 30 H SER A 2 -27.762 36.961 -5.680 1.00 0.00 H ATOM 31 HA SER A 2 -28.693 38.486 -7.839 1.00 0.00 H ATOM 32 HB2 SER A 2 -28.884 35.479 -7.614 1.00 0.00 H ATOM 33 HB3 SER A 2 -28.738 36.440 -9.083 1.00 0.00 H ATOM 34 HG SER A 2 -26.663 36.851 -8.622 1.00 0.00 H ATOM 35 N THR A 3 -31.005 36.907 -6.155 1.00 0.00 N ATOM 36 CA THR A 3 -32.446 36.784 -5.968 1.00 0.00 C ATOM 37 C THR A 3 -32.762 36.251 -4.575 1.00 0.00 C ATOM 38 O THR A 3 -33.612 36.795 -3.869 1.00 0.00 O ATOM 39 CB THR A 3 -33.031 35.841 -7.023 1.00 0.00 C ATOM 40 OG1 THR A 3 -32.117 35.716 -8.102 1.00 0.00 O ATOM 41 CG2 THR A 3 -34.357 36.404 -7.535 1.00 0.00 C ATOM 42 H THR A 3 -30.399 36.516 -5.492 1.00 0.00 H ATOM 43 HA THR A 3 -32.899 37.756 -6.083 1.00 0.00 H ATOM 44 HB THR A 3 -33.204 34.870 -6.583 1.00 0.00 H ATOM 45 HG1 THR A 3 -32.029 36.578 -8.516 1.00 0.00 H ATOM 46 HG21 THR A 3 -34.979 36.681 -6.696 1.00 0.00 H ATOM 47 HG22 THR A 3 -34.864 35.655 -8.125 1.00 0.00 H ATOM 48 HG23 THR A 3 -34.167 37.274 -8.144 1.00 0.00 H ATOM 49 N CYS A 4 -32.073 35.184 -4.184 1.00 0.00 N ATOM 50 CA CYS A 4 -31.075 34.571 -5.053 1.00 0.00 C ATOM 51 C CYS A 4 -31.367 33.076 -5.216 1.00 0.00 C ATOM 52 O CYS A 4 -31.530 32.353 -4.233 1.00 0.00 O ATOM 53 CB CYS A 4 -29.675 34.793 -4.480 1.00 0.00 C ATOM 54 SG CYS A 4 -29.807 35.572 -2.851 1.00 0.00 S ATOM 55 H CYS A 4 -32.238 34.802 -3.297 1.00 0.00 H ATOM 56 HA CYS A 4 -31.130 35.031 -6.028 1.00 0.00 H ATOM 57 HB2 CYS A 4 -29.170 33.844 -4.385 1.00 0.00 H ATOM 58 HB3 CYS A 4 -29.113 35.436 -5.140 1.00 0.00 H ATOM 59 N ASP A 5 -31.424 32.625 -6.465 1.00 0.00 N ATOM 60 CA ASP A 5 -31.691 31.220 -6.747 1.00 0.00 C ATOM 61 C ASP A 5 -30.847 30.324 -5.846 1.00 0.00 C ATOM 62 O ASP A 5 -31.110 29.127 -5.723 1.00 0.00 O ATOM 63 CB ASP A 5 -31.378 30.913 -8.212 1.00 0.00 C ATOM 64 CG ASP A 5 -31.777 29.479 -8.542 1.00 0.00 C ATOM 65 OD1 ASP A 5 -32.393 28.849 -7.699 1.00 0.00 O ATOM 66 OD2 ASP A 5 -31.462 29.033 -9.633 1.00 0.00 O ATOM 67 H ASP A 5 -31.286 33.249 -7.208 1.00 0.00 H ATOM 68 HA ASP A 5 -32.735 31.017 -6.564 1.00 0.00 H ATOM 69 HB2 ASP A 5 -31.928 31.594 -8.846 1.00 0.00 H ATOM 70 HB3 ASP A 5 -30.319 31.038 -8.387 1.00 0.00 H ATOM 71 N PHE A 6 -29.832 30.910 -5.219 1.00 0.00 N ATOM 72 CA PHE A 6 -28.953 30.153 -4.335 1.00 0.00 C ATOM 73 C PHE A 6 -29.322 30.398 -2.875 1.00 0.00 C ATOM 74 O PHE A 6 -28.460 30.373 -1.995 1.00 0.00 O ATOM 75 CB PHE A 6 -27.498 30.560 -4.571 1.00 0.00 C ATOM 76 CG PHE A 6 -26.942 29.784 -5.742 1.00 0.00 C ATOM 77 CD1 PHE A 6 -26.322 28.547 -5.530 1.00 0.00 C ATOM 78 CD2 PHE A 6 -27.045 30.303 -7.038 1.00 0.00 C ATOM 79 CE1 PHE A 6 -25.806 27.827 -6.615 1.00 0.00 C ATOM 80 CE2 PHE A 6 -26.529 29.583 -8.123 1.00 0.00 C ATOM 81 CZ PHE A 6 -25.910 28.345 -7.911 1.00 0.00 C ATOM 82 H PHE A 6 -29.672 31.867 -5.353 1.00 0.00 H ATOM 83 HA PHE A 6 -29.060 29.100 -4.552 1.00 0.00 H ATOM 84 HB2 PHE A 6 -27.451 31.618 -4.786 1.00 0.00 H ATOM 85 HB3 PHE A 6 -26.916 30.344 -3.689 1.00 0.00 H ATOM 86 HD1 PHE A 6 -26.242 28.147 -4.530 1.00 0.00 H ATOM 87 HD2 PHE A 6 -27.523 31.257 -7.201 1.00 0.00 H ATOM 88 HE1 PHE A 6 -25.329 26.873 -6.450 1.00 0.00 H ATOM 89 HE2 PHE A 6 -26.609 29.983 -9.123 1.00 0.00 H ATOM 90 HZ PHE A 6 -25.512 27.790 -8.747 1.00 0.00 H ATOM 91 N ILE A 7 -30.605 30.635 -2.626 1.00 0.00 N ATOM 92 CA ILE A 7 -31.078 30.871 -1.267 1.00 0.00 C ATOM 93 C ILE A 7 -30.630 32.244 -0.775 1.00 0.00 C ATOM 94 O ILE A 7 -31.356 32.921 -0.048 1.00 0.00 O ATOM 95 CB ILE A 7 -30.536 29.790 -0.330 1.00 0.00 C ATOM 96 CG1 ILE A 7 -30.745 28.414 -0.967 1.00 0.00 C ATOM 97 CG2 ILE A 7 -31.281 29.851 1.005 1.00 0.00 C ATOM 98 CD1 ILE A 7 -29.502 27.551 -0.738 1.00 0.00 C ATOM 99 H ILE A 7 -31.246 30.650 -3.368 1.00 0.00 H ATOM 100 HA ILE A 7 -32.156 30.830 -1.259 1.00 0.00 H ATOM 101 HB ILE A 7 -29.482 29.956 -0.161 1.00 0.00 H ATOM 102 HG12 ILE A 7 -31.604 27.937 -0.517 1.00 0.00 H ATOM 103 HG13 ILE A 7 -30.910 28.529 -2.027 1.00 0.00 H ATOM 104 HG21 ILE A 7 -30.726 29.303 1.752 1.00 0.00 H ATOM 105 HG22 ILE A 7 -32.261 29.411 0.892 1.00 0.00 H ATOM 106 HG23 ILE A 7 -31.382 30.881 1.315 1.00 0.00 H ATOM 107 HD11 ILE A 7 -29.131 27.714 0.264 1.00 0.00 H ATOM 108 HD12 ILE A 7 -28.740 27.821 -1.453 1.00 0.00 H ATOM 109 HD13 ILE A 7 -29.759 26.510 -0.861 1.00 0.00 H ATOM 110 N MET A 8 -29.430 32.648 -1.177 1.00 0.00 N ATOM 111 CA MET A 8 -28.880 33.927 -0.741 1.00 0.00 C ATOM 112 C MET A 8 -28.463 34.768 -1.943 1.00 0.00 C ATOM 113 O MET A 8 -27.339 35.245 -1.947 1.00 0.00 O ATOM 114 CB MET A 8 -27.670 33.693 0.165 1.00 0.00 C ATOM 115 CG MET A 8 -28.104 32.913 1.407 1.00 0.00 C ATOM 116 SD MET A 8 -26.762 32.916 2.621 1.00 0.00 S ATOM 117 CE MET A 8 -27.548 31.823 3.830 1.00 0.00 C ATOM 118 H MET A 8 -28.905 32.078 -1.777 1.00 0.00 H ATOM 119 HA MET A 8 -29.634 34.461 -0.184 1.00 0.00 H ATOM 120 HB2 MET A 8 -26.921 33.127 -0.373 1.00 0.00 H ATOM 121 HB3 MET A 8 -27.256 34.643 0.466 1.00 0.00 H ATOM 122 HG2 MET A 8 -28.979 33.380 1.836 1.00 0.00 H ATOM 123 HG3 MET A 8 -28.337 31.896 1.131 1.00 0.00 H ATOM 124 HE1 MET A 8 -28.313 32.370 4.365 1.00 0.00 H ATOM 125 HE2 MET A 8 -26.809 31.466 4.529 1.00 0.00 H ATOM 126 HE3 MET A 8 -27.991 30.981 3.317 1.00 0.00 H TER 127 MET A 8 ENDMDL MODEL 10 ATOM 1 N TYR A 1 -26.591 38.830 -3.952 1.00 0.00 N ATOM 2 CA TYR A 1 -28.047 38.553 -3.798 1.00 0.00 C ATOM 3 C TYR A 1 -28.721 38.615 -5.165 1.00 0.00 C ATOM 4 O TYR A 1 -29.501 39.527 -5.442 1.00 0.00 O ATOM 5 CB TYR A 1 -28.666 39.595 -2.863 1.00 0.00 C ATOM 6 CG TYR A 1 -30.055 39.155 -2.467 1.00 0.00 C ATOM 7 CD1 TYR A 1 -30.226 38.212 -1.445 1.00 0.00 C ATOM 8 CD2 TYR A 1 -31.171 39.688 -3.120 1.00 0.00 C ATOM 9 CE1 TYR A 1 -31.513 37.804 -1.079 1.00 0.00 C ATOM 10 CE2 TYR A 1 -32.459 39.281 -2.753 1.00 0.00 C ATOM 11 CZ TYR A 1 -32.630 38.338 -1.732 1.00 0.00 C ATOM 12 OH TYR A 1 -33.900 37.936 -1.370 1.00 0.00 O ATOM 13 H1 TYR A 1 -26.395 39.119 -4.931 1.00 0.00 H ATOM 14 H2 TYR A 1 -26.049 37.970 -3.727 1.00 0.00 H ATOM 15 H3 TYR A 1 -26.313 39.595 -3.305 1.00 0.00 H ATOM 16 HA TYR A 1 -28.182 37.568 -3.376 1.00 0.00 H ATOM 17 HB2 TYR A 1 -28.053 39.694 -1.979 1.00 0.00 H ATOM 18 HB3 TYR A 1 -28.722 40.546 -3.371 1.00 0.00 H ATOM 19 HD1 TYR A 1 -29.364 37.800 -0.942 1.00 0.00 H ATOM 20 HD2 TYR A 1 -31.039 40.415 -3.908 1.00 0.00 H ATOM 21 HE1 TYR A 1 -31.645 37.078 -0.290 1.00 0.00 H ATOM 22 HE2 TYR A 1 -33.320 39.693 -3.258 1.00 0.00 H ATOM 23 HH TYR A 1 -33.846 37.533 -0.500 1.00 0.00 H ATOM 24 N SER A 2 -28.416 37.640 -6.015 1.00 0.00 N ATOM 25 CA SER A 2 -28.997 37.594 -7.350 1.00 0.00 C ATOM 26 C SER A 2 -30.520 37.530 -7.271 1.00 0.00 C ATOM 27 O SER A 2 -31.218 38.004 -8.166 1.00 0.00 O ATOM 28 CB SER A 2 -28.473 36.373 -8.106 1.00 0.00 C ATOM 29 OG SER A 2 -29.002 36.375 -9.426 1.00 0.00 O ATOM 30 H SER A 2 -27.789 36.939 -5.738 1.00 0.00 H ATOM 31 HA SER A 2 -28.712 38.486 -7.887 1.00 0.00 H ATOM 32 HB2 SER A 2 -27.398 36.412 -8.156 1.00 0.00 H ATOM 33 HB3 SER A 2 -28.774 35.473 -7.588 1.00 0.00 H ATOM 34 HG SER A 2 -28.342 35.997 -10.011 1.00 0.00 H ATOM 35 N THR A 3 -31.026 36.941 -6.192 1.00 0.00 N ATOM 36 CA THR A 3 -32.468 36.818 -6.007 1.00 0.00 C ATOM 37 C THR A 3 -32.788 36.343 -4.594 1.00 0.00 C ATOM 38 O THR A 3 -33.648 36.908 -3.919 1.00 0.00 O ATOM 39 CB THR A 3 -33.042 35.828 -7.023 1.00 0.00 C ATOM 40 OG1 THR A 3 -32.172 35.743 -8.144 1.00 0.00 O ATOM 41 CG2 THR A 3 -34.422 36.306 -7.481 1.00 0.00 C ATOM 42 H THR A 3 -30.421 36.582 -5.510 1.00 0.00 H ATOM 43 HA THR A 3 -32.924 37.783 -6.165 1.00 0.00 H ATOM 44 HB THR A 3 -33.137 34.856 -6.565 1.00 0.00 H ATOM 45 HG1 THR A 3 -31.402 35.234 -7.883 1.00 0.00 H ATOM 46 HG21 THR A 3 -34.908 35.520 -8.039 1.00 0.00 H ATOM 47 HG22 THR A 3 -34.310 37.178 -8.108 1.00 0.00 H ATOM 48 HG23 THR A 3 -35.020 36.557 -6.617 1.00 0.00 H ATOM 49 N CYS A 4 -32.091 35.301 -4.153 1.00 0.00 N ATOM 50 CA CYS A 4 -31.081 34.661 -4.989 1.00 0.00 C ATOM 51 C CYS A 4 -31.390 33.168 -5.131 1.00 0.00 C ATOM 52 O CYS A 4 -31.636 32.475 -4.143 1.00 0.00 O ATOM 53 CB CYS A 4 -29.692 34.874 -4.385 1.00 0.00 C ATOM 54 SG CYS A 4 -29.856 35.571 -2.723 1.00 0.00 S ATOM 55 H CYS A 4 -32.257 34.957 -3.251 1.00 0.00 H ATOM 56 HA CYS A 4 -31.106 35.106 -5.972 1.00 0.00 H ATOM 57 HB2 CYS A 4 -29.175 33.927 -4.329 1.00 0.00 H ATOM 58 HB3 CYS A 4 -29.130 35.555 -5.007 1.00 0.00 H ATOM 59 N ASP A 5 -31.372 32.683 -6.368 1.00 0.00 N ATOM 60 CA ASP A 5 -31.646 31.274 -6.630 1.00 0.00 C ATOM 61 C ASP A 5 -30.843 30.387 -5.684 1.00 0.00 C ATOM 62 O ASP A 5 -31.257 29.273 -5.362 1.00 0.00 O ATOM 63 CB ASP A 5 -31.290 30.933 -8.078 1.00 0.00 C ATOM 64 CG ASP A 5 -32.292 31.580 -9.028 1.00 0.00 C ATOM 65 OD1 ASP A 5 -33.290 32.091 -8.546 1.00 0.00 O ATOM 66 OD2 ASP A 5 -32.048 31.554 -10.222 1.00 0.00 O ATOM 67 H ASP A 5 -31.169 33.281 -7.117 1.00 0.00 H ATOM 68 HA ASP A 5 -32.699 31.088 -6.477 1.00 0.00 H ATOM 69 HB2 ASP A 5 -30.298 31.300 -8.298 1.00 0.00 H ATOM 70 HB3 ASP A 5 -31.313 29.861 -8.210 1.00 0.00 H ATOM 71 N PHE A 6 -29.694 30.888 -5.242 1.00 0.00 N ATOM 72 CA PHE A 6 -28.839 30.128 -4.338 1.00 0.00 C ATOM 73 C PHE A 6 -29.291 30.312 -2.893 1.00 0.00 C ATOM 74 O PHE A 6 -28.498 30.177 -1.962 1.00 0.00 O ATOM 75 CB PHE A 6 -27.387 30.589 -4.483 1.00 0.00 C ATOM 76 CG PHE A 6 -26.645 29.636 -5.390 1.00 0.00 C ATOM 77 CD1 PHE A 6 -27.258 29.155 -6.552 1.00 0.00 C ATOM 78 CD2 PHE A 6 -25.344 29.233 -5.066 1.00 0.00 C ATOM 79 CE1 PHE A 6 -26.570 28.272 -7.393 1.00 0.00 C ATOM 80 CE2 PHE A 6 -24.656 28.350 -5.906 1.00 0.00 C ATOM 81 CZ PHE A 6 -25.269 27.870 -7.070 1.00 0.00 C ATOM 82 H PHE A 6 -29.417 31.783 -5.531 1.00 0.00 H ATOM 83 HA PHE A 6 -28.900 29.082 -4.594 1.00 0.00 H ATOM 84 HB2 PHE A 6 -27.365 31.582 -4.908 1.00 0.00 H ATOM 85 HB3 PHE A 6 -26.915 30.602 -3.512 1.00 0.00 H ATOM 86 HD1 PHE A 6 -28.263 29.466 -6.801 1.00 0.00 H ATOM 87 HD2 PHE A 6 -24.870 29.604 -4.169 1.00 0.00 H ATOM 88 HE1 PHE A 6 -27.043 27.902 -8.290 1.00 0.00 H ATOM 89 HE2 PHE A 6 -23.652 28.040 -5.657 1.00 0.00 H ATOM 90 HZ PHE A 6 -24.738 27.188 -7.718 1.00 0.00 H ATOM 91 N ILE A 7 -30.571 30.622 -2.713 1.00 0.00 N ATOM 92 CA ILE A 7 -31.119 30.818 -1.376 1.00 0.00 C ATOM 93 C ILE A 7 -30.664 32.155 -0.800 1.00 0.00 C ATOM 94 O ILE A 7 -31.377 32.778 -0.014 1.00 0.00 O ATOM 95 CB ILE A 7 -30.666 29.684 -0.455 1.00 0.00 C ATOM 96 CG1 ILE A 7 -30.861 28.342 -1.166 1.00 0.00 C ATOM 97 CG2 ILE A 7 -31.498 29.705 0.829 1.00 0.00 C ATOM 98 CD1 ILE A 7 -29.597 27.494 -1.011 1.00 0.00 C ATOM 99 H ILE A 7 -31.156 30.721 -3.493 1.00 0.00 H ATOM 100 HA ILE A 7 -32.197 30.810 -1.434 1.00 0.00 H ATOM 101 HB ILE A 7 -29.622 29.815 -0.209 1.00 0.00 H ATOM 102 HG12 ILE A 7 -31.701 27.822 -0.729 1.00 0.00 H ATOM 103 HG13 ILE A 7 -31.049 28.515 -2.215 1.00 0.00 H ATOM 104 HG21 ILE A 7 -31.594 30.721 1.179 1.00 0.00 H ATOM 105 HG22 ILE A 7 -31.008 29.108 1.584 1.00 0.00 H ATOM 106 HG23 ILE A 7 -32.478 29.298 0.629 1.00 0.00 H ATOM 107 HD11 ILE A 7 -29.818 26.468 -1.267 1.00 0.00 H ATOM 108 HD12 ILE A 7 -29.255 27.542 0.012 1.00 0.00 H ATOM 109 HD13 ILE A 7 -28.827 27.872 -1.667 1.00 0.00 H ATOM 110 N MET A 8 -29.474 32.592 -1.199 1.00 0.00 N ATOM 111 CA MET A 8 -28.919 33.840 -0.689 1.00 0.00 C ATOM 112 C MET A 8 -28.506 34.752 -1.839 1.00 0.00 C ATOM 113 O MET A 8 -27.394 35.253 -1.802 1.00 0.00 O ATOM 114 CB MET A 8 -27.705 33.548 0.195 1.00 0.00 C ATOM 115 CG MET A 8 -28.136 32.697 1.392 1.00 0.00 C ATOM 116 SD MET A 8 -26.778 32.602 2.584 1.00 0.00 S ATOM 117 CE MET A 8 -25.567 31.823 1.489 1.00 0.00 C ATOM 118 H MET A 8 -28.960 32.065 -1.847 1.00 0.00 H ATOM 119 HA MET A 8 -29.669 34.341 -0.097 1.00 0.00 H ATOM 120 HB2 MET A 8 -26.961 33.014 -0.379 1.00 0.00 H ATOM 121 HB3 MET A 8 -27.286 34.478 0.550 1.00 0.00 H ATOM 122 HG2 MET A 8 -28.997 33.148 1.861 1.00 0.00 H ATOM 123 HG3 MET A 8 -28.388 31.703 1.053 1.00 0.00 H ATOM 124 HE1 MET A 8 -24.869 31.245 2.079 1.00 0.00 H ATOM 125 HE2 MET A 8 -25.031 32.583 0.944 1.00 0.00 H ATOM 126 HE3 MET A 8 -26.079 31.174 0.792 1.00 0.00 H TER 127 MET A 8 ENDMDL CONECT 54 112 CONECT 112 54 MASTER 113 0 0 0 0 0 0 6 66 1 2 1 END