HEADER UNKNOWN FUNCTION 09-OCT-13 SMS21047 TITLE AIP-IV COMPND MOL_ID: 1; COMPND 2 MOLECULE: AIP-IV; 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 SMS21047. 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-IV, 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 USE SOLVENT SUPPRESSION OF HOD PEAK 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 SER A 2 92.05 45.51 REMARK 500 1 THR A 3 69.48 -169.80 REMARK 500 1 CYS A 4 -40.15 -140.40 REMARK 500 1 TYR A 5 96.92 31.37 REMARK 500 1 PHE A 6 161.35 57.21 REMARK 500 1 ILE A 7 -77.41 58.18 REMARK 500 2 ILE A 7 -26.36 63.29 REMARK 500 3 SER A 2 88.61 40.54 REMARK 500 3 THR A 3 82.78 160.12 REMARK 500 3 TYR A 5 -32.31 -135.49 REMARK 500 3 ILE A 7 -30.02 65.49 REMARK 500 4 SER A 2 101.86 47.58 REMARK 500 4 THR A 3 70.51 -167.81 REMARK 500 4 CYS A 4 -45.48 -135.59 REMARK 500 4 TYR A 5 92.50 29.34 REMARK 500 4 PHE A 6 160.84 57.08 REMARK 500 4 ILE A 7 -48.47 66.58 REMARK 500 5 SER A 2 90.22 -169.11 REMARK 500 5 THR A 3 80.63 161.88 REMARK 500 5 TYR A 5 -52.43 -132.13 REMARK 500 5 PHE A 6 -51.24 -159.39 REMARK 500 6 SER A 2 95.32 -167.65 REMARK 500 6 THR A 3 97.09 153.03 REMARK 500 6 ILE A 7 -38.60 66.99 REMARK 500 7 SER A 2 80.33 -169.48 REMARK 500 7 THR A 3 101.18 164.08 REMARK 500 7 TYR A 5 106.34 -173.90 REMARK 500 7 PHE A 6 139.56 58.28 REMARK 500 7 ILE A 7 -44.26 65.56 REMARK 500 8 SER A 2 115.33 54.88 REMARK 500 8 CYS A 4 -165.75 -108.91 REMARK 500 8 ILE A 7 -27.65 64.10 REMARK 500 9 SER A 2 96.34 40.00 REMARK 500 9 CYS A 4 -152.01 -112.14 REMARK 500 9 ILE A 7 -27.07 64.46 REMARK 500 10 SER A 2 108.73 -178.01 REMARK 500 10 CYS A 4 -160.45 -106.08 REMARK 500 10 TYR A 5 -6.91 -144.55 REMARK 500 10 ILE A 7 -24.94 65.08 REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: SMS21035 RELATED DB: BMRB REMARK 900 RELATED ID: SMS21047 RELATED DB: BMRB DBREF A 1 8 BMRB SMS21047 SMS21047 1 8 SEQRES 1 A 8 TYR SER THR CYS TYR 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 -0.13 CISPEP 2 THR A 3 CYS A 4 2 0.04 CISPEP 3 THR A 3 CYS A 4 3 -0.09 CISPEP 4 THR A 3 CYS A 4 4 -0.15 CISPEP 5 THR A 3 CYS A 4 5 -0.14 CISPEP 6 THR A 3 CYS A 4 6 -0.32 CISPEP 7 THR A 3 CYS A 4 7 0.02 CISPEP 8 THR A 3 CYS A 4 8 0.08 CISPEP 9 THR A 3 CYS A 4 9 -0.11 CISPEP 10 THR A 3 CYS A 4 10 -0.29 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 -9.511 8.792 -20.981 1.00 0.00 N ATOM 2 CA TYR A 1 -9.330 9.123 -19.539 1.00 0.00 C ATOM 3 C TYR A 1 -9.109 10.624 -19.387 1.00 0.00 C ATOM 4 O TYR A 1 -9.331 11.190 -18.317 1.00 0.00 O ATOM 5 CB TYR A 1 -8.123 8.359 -18.990 1.00 0.00 C ATOM 6 CG TYR A 1 -6.897 8.709 -19.798 1.00 0.00 C ATOM 7 CD1 TYR A 1 -6.235 9.923 -19.576 1.00 0.00 C ATOM 8 CD2 TYR A 1 -6.420 7.819 -20.768 1.00 0.00 C ATOM 9 CE1 TYR A 1 -5.097 10.248 -20.325 1.00 0.00 C ATOM 10 CE2 TYR A 1 -5.282 8.143 -21.517 1.00 0.00 C ATOM 11 CZ TYR A 1 -4.621 9.358 -21.295 1.00 0.00 C ATOM 12 OH TYR A 1 -3.500 9.677 -22.033 1.00 0.00 O ATOM 13 H1 TYR A 1 -8.653 8.327 -21.340 1.00 0.00 H ATOM 14 H2 TYR A 1 -9.682 9.667 -21.518 1.00 0.00 H ATOM 15 H3 TYR A 1 -10.321 8.152 -21.091 1.00 0.00 H ATOM 16 HA TYR A 1 -10.216 8.835 -18.992 1.00 0.00 H ATOM 17 HB2 TYR A 1 -7.965 8.631 -17.957 1.00 0.00 H ATOM 18 HB3 TYR A 1 -8.307 7.297 -19.059 1.00 0.00 H ATOM 19 HD1 TYR A 1 -6.603 10.610 -18.828 1.00 0.00 H ATOM 20 HD2 TYR A 1 -6.930 6.883 -20.938 1.00 0.00 H ATOM 21 HE1 TYR A 1 -4.588 11.184 -20.155 1.00 0.00 H ATOM 22 HE2 TYR A 1 -4.914 7.457 -22.265 1.00 0.00 H ATOM 23 HH TYR A 1 -2.751 9.211 -21.653 1.00 0.00 H ATOM 24 N SER A 2 -8.670 11.264 -20.467 1.00 0.00 N ATOM 25 CA SER A 2 -8.427 12.702 -20.444 1.00 0.00 C ATOM 26 C SER A 2 -7.661 13.095 -19.184 1.00 0.00 C ATOM 27 O SER A 2 -8.259 13.369 -18.144 1.00 0.00 O ATOM 28 CB SER A 2 -9.755 13.457 -20.493 1.00 0.00 C ATOM 29 OG SER A 2 -10.703 12.792 -19.669 1.00 0.00 O ATOM 30 H SER A 2 -8.507 10.761 -21.292 1.00 0.00 H ATOM 31 HA SER A 2 -7.840 12.972 -21.309 1.00 0.00 H ATOM 32 HB2 SER A 2 -9.613 14.462 -20.131 1.00 0.00 H ATOM 33 HB3 SER A 2 -10.111 13.491 -21.515 1.00 0.00 H ATOM 34 HG SER A 2 -10.589 13.109 -18.770 1.00 0.00 H ATOM 35 N THR A 3 -6.337 13.122 -19.287 1.00 0.00 N ATOM 36 CA THR A 3 -5.498 13.482 -18.149 1.00 0.00 C ATOM 37 C THR A 3 -4.052 13.681 -18.590 1.00 0.00 C ATOM 38 O THR A 3 -3.176 12.884 -18.255 1.00 0.00 O ATOM 39 CB THR A 3 -5.564 12.383 -17.086 1.00 0.00 C ATOM 40 OG1 THR A 3 -6.921 12.050 -16.834 1.00 0.00 O ATOM 41 CG2 THR A 3 -4.911 12.882 -15.795 1.00 0.00 C ATOM 42 H THR A 3 -5.915 12.896 -20.143 1.00 0.00 H ATOM 43 HA THR A 3 -5.865 14.403 -17.722 1.00 0.00 H ATOM 44 HB THR A 3 -5.036 11.510 -17.436 1.00 0.00 H ATOM 45 HG1 THR A 3 -7.110 11.220 -17.279 1.00 0.00 H ATOM 46 HG21 THR A 3 -3.855 13.032 -15.960 1.00 0.00 H ATOM 47 HG22 THR A 3 -5.053 12.149 -15.014 1.00 0.00 H ATOM 48 HG23 THR A 3 -5.366 13.816 -15.498 1.00 0.00 H ATOM 49 N CYS A 4 -3.811 14.749 -19.343 1.00 0.00 N ATOM 50 CA CYS A 4 -4.882 15.665 -19.718 1.00 0.00 C ATOM 51 C CYS A 4 -4.616 16.054 -21.158 1.00 0.00 C ATOM 52 O CYS A 4 -5.500 16.096 -22.014 1.00 0.00 O ATOM 53 CB CYS A 4 -4.915 16.852 -18.754 1.00 0.00 C ATOM 54 SG CYS A 4 -6.635 17.267 -18.368 1.00 0.00 S ATOM 55 H CYS A 4 -2.897 14.924 -19.651 1.00 0.00 H ATOM 56 HA CYS A 4 -5.824 15.144 -19.662 1.00 0.00 H ATOM 57 HB2 CYS A 4 -4.395 16.592 -17.845 1.00 0.00 H ATOM 58 HB3 CYS A 4 -4.435 17.703 -19.213 1.00 0.00 H ATOM 59 N TYR A 5 -3.333 16.260 -21.433 1.00 0.00 N ATOM 60 CA TYR A 5 -2.892 16.570 -22.787 1.00 0.00 C ATOM 61 C TYR A 5 -3.970 17.345 -23.537 1.00 0.00 C ATOM 62 O TYR A 5 -4.903 16.757 -24.085 1.00 0.00 O ATOM 63 CB TYR A 5 -2.570 15.278 -23.541 1.00 0.00 C ATOM 64 CG TYR A 5 -3.817 14.434 -23.647 1.00 0.00 C ATOM 65 CD1 TYR A 5 -4.236 13.664 -22.555 1.00 0.00 C ATOM 66 CD2 TYR A 5 -4.554 14.421 -24.837 1.00 0.00 C ATOM 67 CE1 TYR A 5 -5.392 12.882 -22.654 1.00 0.00 C ATOM 68 CE2 TYR A 5 -5.710 13.638 -24.936 1.00 0.00 C ATOM 69 CZ TYR A 5 -6.130 12.868 -23.844 1.00 0.00 C ATOM 70 OH TYR A 5 -7.269 12.096 -23.941 1.00 0.00 O ATOM 71 H TYR A 5 -2.671 16.202 -20.711 1.00 0.00 H ATOM 72 HA TYR A 5 -1.998 17.175 -22.735 1.00 0.00 H ATOM 73 HB2 TYR A 5 -2.212 15.519 -24.531 1.00 0.00 H ATOM 74 HB3 TYR A 5 -1.809 14.729 -23.006 1.00 0.00 H ATOM 75 HD1 TYR A 5 -3.667 13.675 -21.637 1.00 0.00 H ATOM 76 HD2 TYR A 5 -4.231 15.014 -25.679 1.00 0.00 H ATOM 77 HE1 TYR A 5 -5.716 12.287 -21.812 1.00 0.00 H ATOM 78 HE2 TYR A 5 -6.279 13.628 -25.854 1.00 0.00 H ATOM 79 HH TYR A 5 -7.337 11.779 -24.845 1.00 0.00 H ATOM 80 N PHE A 6 -3.837 18.667 -23.558 1.00 0.00 N ATOM 81 CA PHE A 6 -4.778 19.508 -24.287 1.00 0.00 C ATOM 82 C PHE A 6 -6.202 19.273 -23.793 1.00 0.00 C ATOM 83 O PHE A 6 -6.489 18.255 -23.163 1.00 0.00 O ATOM 84 CB PHE A 6 -4.699 19.206 -25.785 1.00 0.00 C ATOM 85 CG PHE A 6 -3.416 19.770 -26.345 1.00 0.00 C ATOM 86 CD1 PHE A 6 -2.253 18.991 -26.355 1.00 0.00 C ATOM 87 CD2 PHE A 6 -3.389 21.074 -26.856 1.00 0.00 C ATOM 88 CE1 PHE A 6 -1.064 19.514 -26.875 1.00 0.00 C ATOM 89 CE2 PHE A 6 -2.199 21.597 -27.376 1.00 0.00 C ATOM 90 CZ PHE A 6 -1.037 20.818 -27.386 1.00 0.00 C ATOM 91 H PHE A 6 -3.093 19.084 -23.075 1.00 0.00 H ATOM 92 HA PHE A 6 -4.520 20.544 -24.127 1.00 0.00 H ATOM 93 HB2 PHE A 6 -4.719 18.136 -25.937 1.00 0.00 H ATOM 94 HB3 PHE A 6 -5.541 19.658 -26.288 1.00 0.00 H ATOM 95 HD1 PHE A 6 -2.274 17.985 -25.960 1.00 0.00 H ATOM 96 HD2 PHE A 6 -4.286 21.675 -26.849 1.00 0.00 H ATOM 97 HE1 PHE A 6 -0.167 18.913 -26.882 1.00 0.00 H ATOM 98 HE2 PHE A 6 -2.179 22.603 -27.770 1.00 0.00 H ATOM 99 HZ PHE A 6 -0.119 21.221 -27.786 1.00 0.00 H ATOM 100 N ILE A 7 -7.089 20.218 -24.083 1.00 0.00 N ATOM 101 CA ILE A 7 -8.483 20.096 -23.675 1.00 0.00 C ATOM 102 C ILE A 7 -8.588 19.948 -22.161 1.00 0.00 C ATOM 103 O ILE A 7 -8.921 20.901 -21.456 1.00 0.00 O ATOM 104 CB ILE A 7 -9.121 18.882 -24.353 1.00 0.00 C ATOM 105 CG1 ILE A 7 -8.920 18.981 -25.867 1.00 0.00 C ATOM 106 CG2 ILE A 7 -10.618 18.850 -24.041 1.00 0.00 C ATOM 107 CD1 ILE A 7 -9.731 17.886 -26.563 1.00 0.00 C ATOM 108 H ILE A 7 -6.801 21.012 -24.581 1.00 0.00 H ATOM 109 HA ILE A 7 -9.017 20.984 -23.979 1.00 0.00 H ATOM 110 HB ILE A 7 -8.657 17.979 -23.984 1.00 0.00 H ATOM 111 HG12 ILE A 7 -9.251 19.950 -26.212 1.00 0.00 H ATOM 112 HG13 ILE A 7 -7.873 18.855 -26.101 1.00 0.00 H ATOM 113 HG21 ILE A 7 -10.769 19.025 -22.985 1.00 0.00 H ATOM 114 HG22 ILE A 7 -11.020 17.884 -24.307 1.00 0.00 H ATOM 115 HG23 ILE A 7 -11.122 19.619 -24.608 1.00 0.00 H ATOM 116 HD11 ILE A 7 -9.378 17.768 -27.578 1.00 0.00 H ATOM 117 HD12 ILE A 7 -10.774 18.164 -26.574 1.00 0.00 H ATOM 118 HD13 ILE A 7 -9.611 16.955 -26.029 1.00 0.00 H ATOM 119 N MET A 8 -8.300 18.748 -21.667 1.00 0.00 N ATOM 120 CA MET A 8 -8.381 18.482 -20.236 1.00 0.00 C ATOM 121 C MET A 8 -6.996 18.543 -19.600 1.00 0.00 C ATOM 122 O MET A 8 -6.095 19.063 -20.238 1.00 0.00 O ATOM 123 CB MET A 8 -8.996 17.102 -19.995 1.00 0.00 C ATOM 124 CG MET A 8 -10.297 16.977 -20.788 1.00 0.00 C ATOM 125 SD MET A 8 -9.946 16.273 -22.418 1.00 0.00 S ATOM 126 CE MET A 8 -11.645 15.813 -22.838 1.00 0.00 C ATOM 127 H MET A 8 -8.028 18.029 -22.276 1.00 0.00 H ATOM 128 HA MET A 8 -9.011 19.228 -19.776 1.00 0.00 H ATOM 129 HB2 MET A 8 -8.301 16.338 -20.317 1.00 0.00 H ATOM 130 HB3 MET A 8 -9.204 16.979 -18.942 1.00 0.00 H ATOM 131 HG2 MET A 8 -10.982 16.331 -20.257 1.00 0.00 H ATOM 132 HG3 MET A 8 -10.743 17.954 -20.906 1.00 0.00 H ATOM 133 HE1 MET A 8 -11.726 15.679 -23.908 1.00 0.00 H ATOM 134 HE2 MET A 8 -12.319 16.594 -22.524 1.00 0.00 H ATOM 135 HE3 MET A 8 -11.903 14.893 -22.333 1.00 0.00 H TER 136 MET A 8 ENDMDL MODEL 2 ATOM 1 N TYR A 1 -11.496 10.280 -20.879 1.00 0.00 N ATOM 2 CA TYR A 1 -10.134 10.121 -20.295 1.00 0.00 C ATOM 3 C TYR A 1 -9.378 11.442 -20.404 1.00 0.00 C ATOM 4 O TYR A 1 -9.649 12.251 -21.292 1.00 0.00 O ATOM 5 CB TYR A 1 -9.382 9.026 -21.054 1.00 0.00 C ATOM 6 CG TYR A 1 -7.973 8.920 -20.523 1.00 0.00 C ATOM 7 CD1 TYR A 1 -6.995 9.826 -20.950 1.00 0.00 C ATOM 8 CD2 TYR A 1 -7.645 7.918 -19.602 1.00 0.00 C ATOM 9 CE1 TYR A 1 -5.687 9.729 -20.457 1.00 0.00 C ATOM 10 CE2 TYR A 1 -6.338 7.820 -19.110 1.00 0.00 C ATOM 11 CZ TYR A 1 -5.359 8.726 -19.537 1.00 0.00 C ATOM 12 OH TYR A 1 -4.072 8.631 -19.051 1.00 0.00 O ATOM 13 H1 TYR A 1 -12.074 9.450 -20.643 1.00 0.00 H ATOM 14 H2 TYR A 1 -11.421 10.371 -21.913 1.00 0.00 H ATOM 15 H3 TYR A 1 -11.943 11.134 -20.488 1.00 0.00 H ATOM 16 HA TYR A 1 -10.220 9.843 -19.255 1.00 0.00 H ATOM 17 HB2 TYR A 1 -9.890 8.082 -20.919 1.00 0.00 H ATOM 18 HB3 TYR A 1 -9.353 9.271 -22.105 1.00 0.00 H ATOM 19 HD1 TYR A 1 -7.248 10.600 -21.660 1.00 0.00 H ATOM 20 HD2 TYR A 1 -8.399 7.220 -19.272 1.00 0.00 H ATOM 21 HE1 TYR A 1 -4.933 10.427 -20.787 1.00 0.00 H ATOM 22 HE2 TYR A 1 -6.085 7.048 -18.400 1.00 0.00 H ATOM 23 HH TYR A 1 -4.098 8.115 -18.242 1.00 0.00 H ATOM 24 N SER A 2 -8.430 11.652 -19.498 1.00 0.00 N ATOM 25 CA SER A 2 -7.640 12.878 -19.503 1.00 0.00 C ATOM 26 C SER A 2 -6.307 12.659 -18.796 1.00 0.00 C ATOM 27 O SER A 2 -6.268 12.352 -17.605 1.00 0.00 O ATOM 28 CB SER A 2 -8.412 13.998 -18.806 1.00 0.00 C ATOM 29 OG SER A 2 -7.843 14.234 -17.525 1.00 0.00 O ATOM 30 H SER A 2 -8.259 10.972 -18.814 1.00 0.00 H ATOM 31 HA SER A 2 -7.451 13.169 -20.525 1.00 0.00 H ATOM 32 HB2 SER A 2 -8.349 14.900 -19.393 1.00 0.00 H ATOM 33 HB3 SER A 2 -9.450 13.710 -18.704 1.00 0.00 H ATOM 34 HG SER A 2 -8.541 14.150 -16.871 1.00 0.00 H ATOM 35 N THR A 3 -5.215 12.819 -19.538 1.00 0.00 N ATOM 36 CA THR A 3 -3.885 12.626 -18.973 1.00 0.00 C ATOM 37 C THR A 3 -3.600 13.672 -17.902 1.00 0.00 C ATOM 38 O THR A 3 -3.119 13.348 -16.816 1.00 0.00 O ATOM 39 CB THR A 3 -2.831 12.722 -20.079 1.00 0.00 C ATOM 40 OG1 THR A 3 -3.279 12.008 -21.222 1.00 0.00 O ATOM 41 CG2 THR A 3 -1.514 12.121 -19.583 1.00 0.00 C ATOM 42 H THR A 3 -5.308 13.073 -20.480 1.00 0.00 H ATOM 43 HA THR A 3 -3.834 11.644 -18.527 1.00 0.00 H ATOM 44 HB THR A 3 -2.674 13.757 -20.339 1.00 0.00 H ATOM 45 HG1 THR A 3 -2.700 12.228 -21.955 1.00 0.00 H ATOM 46 HG21 THR A 3 -0.788 12.139 -20.382 1.00 0.00 H ATOM 47 HG22 THR A 3 -1.679 11.102 -19.269 1.00 0.00 H ATOM 48 HG23 THR A 3 -1.145 12.701 -18.749 1.00 0.00 H ATOM 49 N CYS A 4 -3.898 14.929 -18.215 1.00 0.00 N ATOM 50 CA CYS A 4 -4.466 15.268 -19.515 1.00 0.00 C ATOM 51 C CYS A 4 -3.449 16.055 -20.368 1.00 0.00 C ATOM 52 O CYS A 4 -2.511 16.648 -19.834 1.00 0.00 O ATOM 53 CB CYS A 4 -5.706 16.146 -19.330 1.00 0.00 C ATOM 54 SG CYS A 4 -6.614 16.243 -20.892 1.00 0.00 S ATOM 55 H CYS A 4 -3.734 15.640 -17.562 1.00 0.00 H ATOM 56 HA CYS A 4 -4.757 14.358 -20.018 1.00 0.00 H ATOM 57 HB2 CYS A 4 -6.341 15.717 -18.569 1.00 0.00 H ATOM 58 HB3 CYS A 4 -5.402 17.138 -19.028 1.00 0.00 H ATOM 59 N TYR A 5 -3.643 16.044 -21.682 1.00 0.00 N ATOM 60 CA TYR A 5 -2.739 16.748 -22.585 1.00 0.00 C ATOM 61 C TYR A 5 -3.255 18.154 -22.872 1.00 0.00 C ATOM 62 O TYR A 5 -2.583 19.144 -22.586 1.00 0.00 O ATOM 63 CB TYR A 5 -2.602 15.973 -23.897 1.00 0.00 C ATOM 64 CG TYR A 5 -3.875 15.206 -24.164 1.00 0.00 C ATOM 65 CD1 TYR A 5 -4.088 13.968 -23.544 1.00 0.00 C ATOM 66 CD2 TYR A 5 -4.842 15.732 -25.029 1.00 0.00 C ATOM 67 CE1 TYR A 5 -5.268 13.257 -23.792 1.00 0.00 C ATOM 68 CE2 TYR A 5 -6.022 15.020 -25.275 1.00 0.00 C ATOM 69 CZ TYR A 5 -6.235 13.782 -24.657 1.00 0.00 C ATOM 70 OH TYR A 5 -7.399 13.081 -24.900 1.00 0.00 O ATOM 71 H TYR A 5 -4.407 15.554 -22.052 1.00 0.00 H ATOM 72 HA TYR A 5 -1.766 16.820 -22.120 1.00 0.00 H ATOM 73 HB2 TYR A 5 -2.423 16.666 -24.706 1.00 0.00 H ATOM 74 HB3 TYR A 5 -1.775 15.283 -23.823 1.00 0.00 H ATOM 75 HD1 TYR A 5 -3.342 13.562 -22.877 1.00 0.00 H ATOM 76 HD2 TYR A 5 -4.677 16.686 -25.506 1.00 0.00 H ATOM 77 HE1 TYR A 5 -5.433 12.302 -23.313 1.00 0.00 H ATOM 78 HE2 TYR A 5 -6.768 15.426 -25.943 1.00 0.00 H ATOM 79 HH TYR A 5 -7.451 12.365 -24.263 1.00 0.00 H ATOM 80 N PHE A 6 -4.455 18.233 -23.441 1.00 0.00 N ATOM 81 CA PHE A 6 -5.055 19.523 -23.755 1.00 0.00 C ATOM 82 C PHE A 6 -6.560 19.378 -23.960 1.00 0.00 C ATOM 83 O PHE A 6 -7.046 18.308 -24.327 1.00 0.00 O ATOM 84 CB PHE A 6 -4.419 20.101 -25.021 1.00 0.00 C ATOM 85 CG PHE A 6 -3.020 20.575 -24.711 1.00 0.00 C ATOM 86 CD1 PHE A 6 -2.826 21.711 -23.915 1.00 0.00 C ATOM 87 CD2 PHE A 6 -1.917 19.879 -25.218 1.00 0.00 C ATOM 88 CE1 PHE A 6 -1.528 22.150 -23.627 1.00 0.00 C ATOM 89 CE2 PHE A 6 -0.619 20.318 -24.930 1.00 0.00 C ATOM 90 CZ PHE A 6 -0.424 21.454 -24.134 1.00 0.00 C ATOM 91 H PHE A 6 -4.942 17.410 -23.651 1.00 0.00 H ATOM 92 HA PHE A 6 -4.877 20.203 -22.935 1.00 0.00 H ATOM 93 HB2 PHE A 6 -4.380 19.337 -25.785 1.00 0.00 H ATOM 94 HB3 PHE A 6 -5.010 20.933 -25.374 1.00 0.00 H ATOM 95 HD1 PHE A 6 -3.677 22.248 -23.525 1.00 0.00 H ATOM 96 HD2 PHE A 6 -2.066 19.003 -25.832 1.00 0.00 H ATOM 97 HE1 PHE A 6 -1.379 23.026 -23.014 1.00 0.00 H ATOM 98 HE2 PHE A 6 0.233 19.781 -25.321 1.00 0.00 H ATOM 99 HZ PHE A 6 0.576 21.793 -23.913 1.00 0.00 H ATOM 100 N ILE A 7 -7.292 20.462 -23.723 1.00 0.00 N ATOM 101 CA ILE A 7 -8.742 20.440 -23.870 1.00 0.00 C ATOM 102 C ILE A 7 -9.367 19.467 -22.875 1.00 0.00 C ATOM 103 O ILE A 7 -10.525 19.623 -22.484 1.00 0.00 O ATOM 104 CB ILE A 7 -9.115 20.024 -25.295 1.00 0.00 C ATOM 105 CG1 ILE A 7 -8.281 20.829 -26.294 1.00 0.00 C ATOM 106 CG2 ILE A 7 -10.601 20.299 -25.535 1.00 0.00 C ATOM 107 CD1 ILE A 7 -8.777 20.552 -27.714 1.00 0.00 C ATOM 108 H ILE A 7 -6.850 21.290 -23.442 1.00 0.00 H ATOM 109 HA ILE A 7 -9.130 21.430 -23.684 1.00 0.00 H ATOM 110 HB ILE A 7 -8.919 18.970 -25.426 1.00 0.00 H ATOM 111 HG12 ILE A 7 -8.378 21.883 -26.078 1.00 0.00 H ATOM 112 HG13 ILE A 7 -7.245 20.539 -26.214 1.00 0.00 H ATOM 113 HG21 ILE A 7 -11.175 19.941 -24.693 1.00 0.00 H ATOM 114 HG22 ILE A 7 -10.921 19.789 -26.432 1.00 0.00 H ATOM 115 HG23 ILE A 7 -10.756 21.362 -25.651 1.00 0.00 H ATOM 116 HD11 ILE A 7 -8.929 19.490 -27.842 1.00 0.00 H ATOM 117 HD12 ILE A 7 -8.043 20.898 -28.427 1.00 0.00 H ATOM 118 HD13 ILE A 7 -9.709 21.071 -27.878 1.00 0.00 H ATOM 119 N MET A 8 -8.596 18.465 -22.471 1.00 0.00 N ATOM 120 CA MET A 8 -9.086 17.470 -21.524 1.00 0.00 C ATOM 121 C MET A 8 -8.060 17.227 -20.422 1.00 0.00 C ATOM 122 O MET A 8 -7.989 18.039 -19.514 1.00 0.00 O ATOM 123 CB MET A 8 -9.379 16.156 -22.251 1.00 0.00 C ATOM 124 CG MET A 8 -10.562 16.351 -23.202 1.00 0.00 C ATOM 125 SD MET A 8 -10.994 14.765 -23.959 1.00 0.00 S ATOM 126 CE MET A 8 -12.020 14.139 -22.605 1.00 0.00 C ATOM 127 H MET A 8 -7.681 18.392 -22.814 1.00 0.00 H ATOM 128 HA MET A 8 -10.000 17.832 -21.077 1.00 0.00 H ATOM 129 HB2 MET A 8 -8.508 15.855 -22.814 1.00 0.00 H ATOM 130 HB3 MET A 8 -9.623 15.391 -21.528 1.00 0.00 H ATOM 131 HG2 MET A 8 -11.409 16.730 -22.650 1.00 0.00 H ATOM 132 HG3 MET A 8 -10.291 17.057 -23.973 1.00 0.00 H ATOM 133 HE1 MET A 8 -11.394 13.933 -21.748 1.00 0.00 H ATOM 134 HE2 MET A 8 -12.512 13.232 -22.915 1.00 0.00 H ATOM 135 HE3 MET A 8 -12.763 14.880 -22.346 1.00 0.00 H TER 136 MET A 8 ENDMDL MODEL 3 ATOM 1 N TYR A 1 -7.442 7.554 -20.364 1.00 0.00 N ATOM 2 CA TYR A 1 -7.722 8.296 -19.102 1.00 0.00 C ATOM 3 C TYR A 1 -8.155 9.719 -19.437 1.00 0.00 C ATOM 4 O TYR A 1 -8.952 10.321 -18.717 1.00 0.00 O ATOM 5 CB TYR A 1 -6.458 8.323 -18.240 1.00 0.00 C ATOM 6 CG TYR A 1 -5.398 9.151 -18.927 1.00 0.00 C ATOM 7 CD1 TYR A 1 -5.387 10.543 -18.772 1.00 0.00 C ATOM 8 CD2 TYR A 1 -4.426 8.527 -19.718 1.00 0.00 C ATOM 9 CE1 TYR A 1 -4.404 11.310 -19.408 1.00 0.00 C ATOM 10 CE2 TYR A 1 -3.443 9.295 -20.354 1.00 0.00 C ATOM 11 CZ TYR A 1 -3.432 10.687 -20.199 1.00 0.00 C ATOM 12 OH TYR A 1 -2.464 11.443 -20.827 1.00 0.00 O ATOM 13 H1 TYR A 1 -6.875 8.150 -20.999 1.00 0.00 H ATOM 14 H2 TYR A 1 -8.342 7.311 -20.828 1.00 0.00 H ATOM 15 H3 TYR A 1 -6.917 6.685 -20.147 1.00 0.00 H ATOM 16 HA TYR A 1 -8.514 7.798 -18.562 1.00 0.00 H ATOM 17 HB2 TYR A 1 -6.688 8.758 -17.278 1.00 0.00 H ATOM 18 HB3 TYR A 1 -6.093 7.316 -18.103 1.00 0.00 H ATOM 19 HD1 TYR A 1 -6.137 11.024 -18.161 1.00 0.00 H ATOM 20 HD2 TYR A 1 -4.434 7.454 -19.837 1.00 0.00 H ATOM 21 HE1 TYR A 1 -4.396 12.384 -19.289 1.00 0.00 H ATOM 22 HE2 TYR A 1 -2.693 8.813 -20.965 1.00 0.00 H ATOM 23 HH TYR A 1 -1.703 10.879 -20.984 1.00 0.00 H ATOM 24 N SER A 2 -7.624 10.252 -20.533 1.00 0.00 N ATOM 25 CA SER A 2 -7.965 11.605 -20.955 1.00 0.00 C ATOM 26 C SER A 2 -8.046 12.537 -19.750 1.00 0.00 C ATOM 27 O SER A 2 -9.112 12.718 -19.163 1.00 0.00 O ATOM 28 CB SER A 2 -9.306 11.601 -21.688 1.00 0.00 C ATOM 29 OG SER A 2 -10.087 12.703 -21.246 1.00 0.00 O ATOM 30 H SER A 2 -6.993 9.726 -21.066 1.00 0.00 H ATOM 31 HA SER A 2 -7.201 11.966 -21.627 1.00 0.00 H ATOM 32 HB2 SER A 2 -9.139 11.689 -22.749 1.00 0.00 H ATOM 33 HB3 SER A 2 -9.824 10.674 -21.483 1.00 0.00 H ATOM 34 HG SER A 2 -10.963 12.621 -21.632 1.00 0.00 H ATOM 35 N THR A 3 -6.911 13.128 -19.389 1.00 0.00 N ATOM 36 CA THR A 3 -6.863 14.033 -18.246 1.00 0.00 C ATOM 37 C THR A 3 -5.431 14.185 -17.744 1.00 0.00 C ATOM 38 O THR A 3 -5.021 13.520 -16.792 1.00 0.00 O ATOM 39 CB THR A 3 -7.746 13.496 -17.117 1.00 0.00 C ATOM 40 OG1 THR A 3 -9.107 13.777 -17.410 1.00 0.00 O ATOM 41 CG2 THR A 3 -7.357 14.166 -15.798 1.00 0.00 C ATOM 42 H THR A 3 -6.093 12.953 -19.898 1.00 0.00 H ATOM 43 HA THR A 3 -7.233 15.000 -18.548 1.00 0.00 H ATOM 44 HB THR A 3 -7.609 12.429 -17.028 1.00 0.00 H ATOM 45 HG1 THR A 3 -9.530 12.956 -17.671 1.00 0.00 H ATOM 46 HG21 THR A 3 -6.608 13.569 -15.298 1.00 0.00 H ATOM 47 HG22 THR A 3 -8.229 14.253 -15.167 1.00 0.00 H ATOM 48 HG23 THR A 3 -6.957 15.149 -15.999 1.00 0.00 H ATOM 49 N CYS A 4 -4.673 15.066 -18.390 1.00 0.00 N ATOM 50 CA CYS A 4 -5.200 15.832 -19.514 1.00 0.00 C ATOM 51 C CYS A 4 -4.661 15.324 -20.846 1.00 0.00 C ATOM 52 O CYS A 4 -3.739 14.511 -20.899 1.00 0.00 O ATOM 53 CB CYS A 4 -4.810 17.304 -19.372 1.00 0.00 C ATOM 54 SG CYS A 4 -5.575 18.262 -20.704 1.00 0.00 S ATOM 55 H CYS A 4 -3.745 15.204 -18.106 1.00 0.00 H ATOM 56 HA CYS A 4 -6.277 15.755 -19.517 1.00 0.00 H ATOM 57 HB2 CYS A 4 -5.151 17.677 -18.417 1.00 0.00 H ATOM 58 HB3 CYS A 4 -3.736 17.399 -19.432 1.00 0.00 H ATOM 59 N TYR A 5 -5.251 15.822 -21.928 1.00 0.00 N ATOM 60 CA TYR A 5 -4.828 15.425 -23.267 1.00 0.00 C ATOM 61 C TYR A 5 -4.718 16.644 -24.177 1.00 0.00 C ATOM 62 O TYR A 5 -3.879 16.684 -25.077 1.00 0.00 O ATOM 63 CB TYR A 5 -5.831 14.433 -23.858 1.00 0.00 C ATOM 64 CG TYR A 5 -7.225 14.797 -23.407 1.00 0.00 C ATOM 65 CD1 TYR A 5 -7.600 14.610 -22.071 1.00 0.00 C ATOM 66 CD2 TYR A 5 -8.144 15.321 -24.325 1.00 0.00 C ATOM 67 CE1 TYR A 5 -8.893 14.947 -21.653 1.00 0.00 C ATOM 68 CE2 TYR A 5 -9.436 15.658 -23.907 1.00 0.00 C ATOM 69 CZ TYR A 5 -9.811 15.471 -22.570 1.00 0.00 C ATOM 70 OH TYR A 5 -11.085 15.804 -22.159 1.00 0.00 O ATOM 71 H TYR A 5 -5.981 16.467 -21.825 1.00 0.00 H ATOM 72 HA TYR A 5 -3.862 14.948 -23.202 1.00 0.00 H ATOM 73 HB2 TYR A 5 -5.780 14.470 -24.936 1.00 0.00 H ATOM 74 HB3 TYR A 5 -5.593 13.436 -23.519 1.00 0.00 H ATOM 75 HD1 TYR A 5 -6.891 14.206 -21.363 1.00 0.00 H ATOM 76 HD2 TYR A 5 -7.854 15.465 -25.356 1.00 0.00 H ATOM 77 HE1 TYR A 5 -9.182 14.803 -20.623 1.00 0.00 H ATOM 78 HE2 TYR A 5 -10.144 16.062 -24.615 1.00 0.00 H ATOM 79 HH TYR A 5 -11.288 16.679 -22.497 1.00 0.00 H ATOM 80 N PHE A 6 -5.570 17.635 -23.936 1.00 0.00 N ATOM 81 CA PHE A 6 -5.553 18.855 -24.735 1.00 0.00 C ATOM 82 C PHE A 6 -6.431 19.927 -24.095 1.00 0.00 C ATOM 83 O PHE A 6 -7.624 19.717 -23.878 1.00 0.00 O ATOM 84 CB PHE A 6 -6.055 18.560 -26.150 1.00 0.00 C ATOM 85 CG PHE A 6 -4.918 18.019 -26.984 1.00 0.00 C ATOM 86 CD1 PHE A 6 -3.820 18.834 -27.284 1.00 0.00 C ATOM 87 CD2 PHE A 6 -4.962 16.703 -27.458 1.00 0.00 C ATOM 88 CE1 PHE A 6 -2.767 18.334 -28.058 1.00 0.00 C ATOM 89 CE2 PHE A 6 -3.909 16.201 -28.231 1.00 0.00 C ATOM 90 CZ PHE A 6 -2.812 17.016 -28.531 1.00 0.00 C ATOM 91 H PHE A 6 -6.222 17.545 -23.209 1.00 0.00 H ATOM 92 HA PHE A 6 -4.539 19.221 -24.794 1.00 0.00 H ATOM 93 HB2 PHE A 6 -6.849 17.829 -26.105 1.00 0.00 H ATOM 94 HB3 PHE A 6 -6.428 19.469 -26.597 1.00 0.00 H ATOM 95 HD1 PHE A 6 -3.786 19.850 -26.919 1.00 0.00 H ATOM 96 HD2 PHE A 6 -5.809 16.073 -27.226 1.00 0.00 H ATOM 97 HE1 PHE A 6 -1.921 18.962 -28.290 1.00 0.00 H ATOM 98 HE2 PHE A 6 -3.943 15.185 -28.596 1.00 0.00 H ATOM 99 HZ PHE A 6 -1.999 16.629 -29.129 1.00 0.00 H ATOM 100 N ILE A 7 -5.831 21.075 -23.796 1.00 0.00 N ATOM 101 CA ILE A 7 -6.570 22.174 -23.185 1.00 0.00 C ATOM 102 C ILE A 7 -7.043 21.790 -21.787 1.00 0.00 C ATOM 103 O ILE A 7 -7.177 22.642 -20.910 1.00 0.00 O ATOM 104 CB ILE A 7 -7.775 22.539 -24.052 1.00 0.00 C ATOM 105 CG1 ILE A 7 -7.331 22.681 -25.509 1.00 0.00 C ATOM 106 CG2 ILE A 7 -8.369 23.863 -23.569 1.00 0.00 C ATOM 107 CD1 ILE A 7 -8.481 23.251 -26.341 1.00 0.00 C ATOM 108 H ILE A 7 -4.877 21.184 -23.990 1.00 0.00 H ATOM 109 HA ILE A 7 -5.921 23.033 -23.111 1.00 0.00 H ATOM 110 HB ILE A 7 -8.522 21.761 -23.975 1.00 0.00 H ATOM 111 HG12 ILE A 7 -6.481 23.348 -25.562 1.00 0.00 H ATOM 112 HG13 ILE A 7 -7.053 21.713 -25.898 1.00 0.00 H ATOM 113 HG21 ILE A 7 -7.733 24.678 -23.883 1.00 0.00 H ATOM 114 HG22 ILE A 7 -8.439 23.855 -22.492 1.00 0.00 H ATOM 115 HG23 ILE A 7 -9.354 23.991 -23.993 1.00 0.00 H ATOM 116 HD11 ILE A 7 -8.585 24.306 -26.135 1.00 0.00 H ATOM 117 HD12 ILE A 7 -9.397 22.742 -26.085 1.00 0.00 H ATOM 118 HD13 ILE A 7 -8.271 23.109 -27.391 1.00 0.00 H ATOM 119 N MET A 8 -7.294 20.500 -21.586 1.00 0.00 N ATOM 120 CA MET A 8 -7.760 20.015 -20.293 1.00 0.00 C ATOM 121 C MET A 8 -7.209 18.620 -20.013 1.00 0.00 C ATOM 122 O MET A 8 -7.603 18.038 -19.015 1.00 0.00 O ATOM 123 CB MET A 8 -9.290 19.975 -20.271 1.00 0.00 C ATOM 124 CG MET A 8 -9.839 21.394 -20.426 1.00 0.00 C ATOM 125 SD MET A 8 -11.631 21.378 -20.169 1.00 0.00 S ATOM 126 CE MET A 8 -12.046 20.268 -21.536 1.00 0.00 C ATOM 127 H MET A 8 -7.162 19.864 -22.320 1.00 0.00 H ATOM 128 HA MET A 8 -7.418 20.688 -19.521 1.00 0.00 H ATOM 129 HB2 MET A 8 -9.645 19.359 -21.084 1.00 0.00 H ATOM 130 HB3 MET A 8 -9.626 19.562 -19.332 1.00 0.00 H ATOM 131 HG2 MET A 8 -9.377 22.041 -19.695 1.00 0.00 H ATOM 132 HG3 MET A 8 -9.622 21.759 -21.419 1.00 0.00 H ATOM 133 HE1 MET A 8 -13.047 20.485 -21.884 1.00 0.00 H ATOM 134 HE2 MET A 8 -12.001 19.246 -21.197 1.00 0.00 H ATOM 135 HE3 MET A 8 -11.340 20.410 -22.342 1.00 0.00 H TER 136 MET A 8 ENDMDL MODEL 4 ATOM 1 N TYR A 1 -10.089 9.093 -21.083 1.00 0.00 N ATOM 2 CA TYR A 1 -9.717 9.428 -19.679 1.00 0.00 C ATOM 3 C TYR A 1 -9.295 10.892 -19.604 1.00 0.00 C ATOM 4 O TYR A 1 -9.583 11.581 -18.626 1.00 0.00 O ATOM 5 CB TYR A 1 -8.564 8.528 -19.231 1.00 0.00 C ATOM 6 CG TYR A 1 -7.328 8.856 -20.035 1.00 0.00 C ATOM 7 CD1 TYR A 1 -6.437 9.834 -19.579 1.00 0.00 C ATOM 8 CD2 TYR A 1 -7.074 8.181 -21.235 1.00 0.00 C ATOM 9 CE1 TYR A 1 -5.290 10.138 -20.324 1.00 0.00 C ATOM 10 CE2 TYR A 1 -5.928 8.485 -21.979 1.00 0.00 C ATOM 11 CZ TYR A 1 -5.036 9.463 -21.524 1.00 0.00 C ATOM 12 OH TYR A 1 -3.907 9.763 -22.259 1.00 0.00 O ATOM 13 H1 TYR A 1 -9.248 9.156 -21.689 1.00 0.00 H ATOM 14 H2 TYR A 1 -10.812 9.763 -21.419 1.00 0.00 H ATOM 15 H3 TYR A 1 -10.470 8.126 -21.119 1.00 0.00 H ATOM 16 HA TYR A 1 -10.568 9.268 -19.035 1.00 0.00 H ATOM 17 HB2 TYR A 1 -8.367 8.692 -18.182 1.00 0.00 H ATOM 18 HB3 TYR A 1 -8.832 7.494 -19.391 1.00 0.00 H ATOM 19 HD1 TYR A 1 -6.633 10.354 -18.654 1.00 0.00 H ATOM 20 HD2 TYR A 1 -7.762 7.427 -21.586 1.00 0.00 H ATOM 21 HE1 TYR A 1 -4.602 10.893 -19.973 1.00 0.00 H ATOM 22 HE2 TYR A 1 -5.733 7.964 -22.906 1.00 0.00 H ATOM 23 HH TYR A 1 -3.695 10.687 -22.112 1.00 0.00 H ATOM 24 N SER A 2 -8.610 11.359 -20.642 1.00 0.00 N ATOM 25 CA SER A 2 -8.151 12.742 -20.682 1.00 0.00 C ATOM 26 C SER A 2 -7.478 13.122 -19.367 1.00 0.00 C ATOM 27 O SER A 2 -8.148 13.393 -18.370 1.00 0.00 O ATOM 28 CB SER A 2 -9.334 13.678 -20.940 1.00 0.00 C ATOM 29 OG SER A 2 -8.876 14.834 -21.628 1.00 0.00 O ATOM 30 H SER A 2 -8.410 10.764 -21.395 1.00 0.00 H ATOM 31 HA SER A 2 -7.439 12.853 -21.486 1.00 0.00 H ATOM 32 HB2 SER A 2 -10.069 13.173 -21.543 1.00 0.00 H ATOM 33 HB3 SER A 2 -9.780 13.961 -19.995 1.00 0.00 H ATOM 34 HG SER A 2 -8.021 14.631 -22.012 1.00 0.00 H ATOM 35 N THR A 3 -6.149 13.140 -19.372 1.00 0.00 N ATOM 36 CA THR A 3 -5.394 13.479 -18.171 1.00 0.00 C ATOM 37 C THR A 3 -3.927 13.720 -18.512 1.00 0.00 C ATOM 38 O THR A 3 -3.059 12.920 -18.161 1.00 0.00 O ATOM 39 CB THR A 3 -5.504 12.347 -17.148 1.00 0.00 C ATOM 40 OG1 THR A 3 -6.872 12.007 -16.966 1.00 0.00 O ATOM 41 CG2 THR A 3 -4.907 12.802 -15.816 1.00 0.00 C ATOM 42 H THR A 3 -5.668 12.920 -20.198 1.00 0.00 H ATOM 43 HA THR A 3 -5.807 14.378 -17.742 1.00 0.00 H ATOM 44 HB THR A 3 -4.962 11.484 -17.505 1.00 0.00 H ATOM 45 HG1 THR A 3 -7.241 11.794 -17.827 1.00 0.00 H ATOM 46 HG21 THR A 3 -5.388 13.715 -15.498 1.00 0.00 H ATOM 47 HG22 THR A 3 -3.849 12.976 -15.936 1.00 0.00 H ATOM 48 HG23 THR A 3 -5.063 12.035 -15.071 1.00 0.00 H ATOM 49 N CYS A 4 -3.657 14.826 -19.196 1.00 0.00 N ATOM 50 CA CYS A 4 -4.718 15.745 -19.593 1.00 0.00 C ATOM 51 C CYS A 4 -4.451 16.124 -21.034 1.00 0.00 C ATOM 52 O CYS A 4 -5.314 16.086 -21.912 1.00 0.00 O ATOM 53 CB CYS A 4 -4.744 16.951 -18.652 1.00 0.00 C ATOM 54 SG CYS A 4 -6.460 17.375 -18.263 1.00 0.00 S ATOM 55 H CYS A 4 -2.729 15.029 -19.439 1.00 0.00 H ATOM 56 HA CYS A 4 -5.666 15.233 -19.530 1.00 0.00 H ATOM 57 HB2 CYS A 4 -4.218 16.707 -17.741 1.00 0.00 H ATOM 58 HB3 CYS A 4 -4.265 17.791 -19.131 1.00 0.00 H ATOM 59 N TYR A 5 -3.182 16.432 -21.281 1.00 0.00 N ATOM 60 CA TYR A 5 -2.734 16.764 -22.629 1.00 0.00 C ATOM 61 C TYR A 5 -3.868 17.395 -23.430 1.00 0.00 C ATOM 62 O TYR A 5 -4.661 16.695 -24.059 1.00 0.00 O ATOM 63 CB TYR A 5 -2.244 15.502 -23.341 1.00 0.00 C ATOM 64 CG TYR A 5 -3.398 14.545 -23.520 1.00 0.00 C ATOM 65 CD1 TYR A 5 -3.833 13.763 -22.444 1.00 0.00 C ATOM 66 CD2 TYR A 5 -4.032 14.438 -24.764 1.00 0.00 C ATOM 67 CE1 TYR A 5 -4.904 12.876 -22.610 1.00 0.00 C ATOM 68 CE2 TYR A 5 -5.102 13.550 -24.931 1.00 0.00 C ATOM 69 CZ TYR A 5 -5.537 12.770 -23.854 1.00 0.00 C ATOM 70 OH TYR A 5 -6.592 11.894 -24.018 1.00 0.00 O ATOM 71 H TYR A 5 -2.536 16.437 -20.544 1.00 0.00 H ATOM 72 HA TYR A 5 -1.918 17.466 -22.564 1.00 0.00 H ATOM 73 HB2 TYR A 5 -1.842 15.768 -24.308 1.00 0.00 H ATOM 74 HB3 TYR A 5 -1.474 15.029 -22.749 1.00 0.00 H ATOM 75 HD1 TYR A 5 -3.345 13.846 -21.484 1.00 0.00 H ATOM 76 HD2 TYR A 5 -3.696 15.040 -25.595 1.00 0.00 H ATOM 77 HE1 TYR A 5 -5.240 12.274 -21.779 1.00 0.00 H ATOM 78 HE2 TYR A 5 -5.590 13.468 -25.890 1.00 0.00 H ATOM 79 HH TYR A 5 -6.928 11.999 -24.911 1.00 0.00 H ATOM 80 N PHE A 6 -3.938 18.721 -23.402 1.00 0.00 N ATOM 81 CA PHE A 6 -4.947 19.440 -24.173 1.00 0.00 C ATOM 82 C PHE A 6 -6.347 18.970 -23.792 1.00 0.00 C ATOM 83 O PHE A 6 -6.517 17.890 -23.226 1.00 0.00 O ATOM 84 CB PHE A 6 -4.719 19.214 -25.669 1.00 0.00 C ATOM 85 CG PHE A 6 -3.518 20.010 -26.121 1.00 0.00 C ATOM 86 CD1 PHE A 6 -2.229 19.494 -25.942 1.00 0.00 C ATOM 87 CD2 PHE A 6 -3.694 21.262 -26.720 1.00 0.00 C ATOM 88 CE1 PHE A 6 -1.116 20.232 -26.362 1.00 0.00 C ATOM 89 CE2 PHE A 6 -2.581 22.000 -27.140 1.00 0.00 C ATOM 90 CZ PHE A 6 -1.292 21.484 -26.961 1.00 0.00 C ATOM 91 H PHE A 6 -3.301 19.226 -22.855 1.00 0.00 H ATOM 92 HA PHE A 6 -4.862 20.495 -23.963 1.00 0.00 H ATOM 93 HB2 PHE A 6 -4.546 18.164 -25.852 1.00 0.00 H ATOM 94 HB3 PHE A 6 -5.592 19.537 -26.218 1.00 0.00 H ATOM 95 HD1 PHE A 6 -2.095 18.527 -25.480 1.00 0.00 H ATOM 96 HD2 PHE A 6 -4.689 21.661 -26.859 1.00 0.00 H ATOM 97 HE1 PHE A 6 -0.122 19.834 -26.224 1.00 0.00 H ATOM 98 HE2 PHE A 6 -2.716 22.967 -27.602 1.00 0.00 H ATOM 99 HZ PHE A 6 -0.433 22.053 -27.285 1.00 0.00 H ATOM 100 N ILE A 7 -7.346 19.786 -24.108 1.00 0.00 N ATOM 101 CA ILE A 7 -8.730 19.437 -23.808 1.00 0.00 C ATOM 102 C ILE A 7 -8.958 19.402 -22.300 1.00 0.00 C ATOM 103 O ILE A 7 -9.919 19.980 -21.794 1.00 0.00 O ATOM 104 CB ILE A 7 -9.066 18.072 -24.408 1.00 0.00 C ATOM 105 CG1 ILE A 7 -8.605 18.029 -25.867 1.00 0.00 C ATOM 106 CG2 ILE A 7 -10.577 17.843 -24.346 1.00 0.00 C ATOM 107 CD1 ILE A 7 -9.696 18.613 -26.765 1.00 0.00 C ATOM 108 H ILE A 7 -7.150 20.639 -24.551 1.00 0.00 H ATOM 109 HA ILE A 7 -9.382 20.178 -24.243 1.00 0.00 H ATOM 110 HB ILE A 7 -8.563 17.297 -23.847 1.00 0.00 H ATOM 111 HG12 ILE A 7 -7.699 18.611 -25.974 1.00 0.00 H ATOM 112 HG13 ILE A 7 -8.412 17.006 -26.155 1.00 0.00 H ATOM 113 HG21 ILE A 7 -10.836 16.984 -24.946 1.00 0.00 H ATOM 114 HG22 ILE A 7 -11.088 18.715 -24.727 1.00 0.00 H ATOM 115 HG23 ILE A 7 -10.874 17.670 -23.322 1.00 0.00 H ATOM 116 HD11 ILE A 7 -10.466 17.871 -26.923 1.00 0.00 H ATOM 117 HD12 ILE A 7 -9.268 18.895 -27.716 1.00 0.00 H ATOM 118 HD13 ILE A 7 -10.127 19.482 -26.291 1.00 0.00 H ATOM 119 N MET A 8 -8.068 18.719 -21.587 1.00 0.00 N ATOM 120 CA MET A 8 -8.186 18.610 -20.137 1.00 0.00 C ATOM 121 C MET A 8 -6.810 18.667 -19.482 1.00 0.00 C ATOM 122 O MET A 8 -5.903 19.200 -20.100 1.00 0.00 O ATOM 123 CB MET A 8 -8.875 17.295 -19.768 1.00 0.00 C ATOM 124 CG MET A 8 -10.223 17.204 -20.486 1.00 0.00 C ATOM 125 SD MET A 8 -11.319 16.091 -19.572 1.00 0.00 S ATOM 126 CE MET A 8 -11.929 17.304 -18.375 1.00 0.00 C ATOM 127 H MET A 8 -7.319 18.283 -22.043 1.00 0.00 H ATOM 128 HA MET A 8 -8.783 19.431 -19.772 1.00 0.00 H ATOM 129 HB2 MET A 8 -8.250 16.465 -20.067 1.00 0.00 H ATOM 130 HB3 MET A 8 -9.034 17.259 -18.701 1.00 0.00 H ATOM 131 HG2 MET A 8 -10.669 18.187 -20.537 1.00 0.00 H ATOM 132 HG3 MET A 8 -10.074 16.824 -21.485 1.00 0.00 H ATOM 133 HE1 MET A 8 -12.336 18.156 -18.903 1.00 0.00 H ATOM 134 HE2 MET A 8 -11.117 17.629 -17.744 1.00 0.00 H ATOM 135 HE3 MET A 8 -12.698 16.851 -17.764 1.00 0.00 H TER 136 MET A 8 ENDMDL MODEL 5 ATOM 1 N TYR A 1 -8.821 7.559 -21.217 1.00 0.00 N ATOM 2 CA TYR A 1 -8.036 8.478 -20.346 1.00 0.00 C ATOM 3 C TYR A 1 -8.144 9.901 -20.884 1.00 0.00 C ATOM 4 O TYR A 1 -8.208 10.113 -22.095 1.00 0.00 O ATOM 5 CB TYR A 1 -6.571 8.035 -20.331 1.00 0.00 C ATOM 6 CG TYR A 1 -5.785 8.926 -19.399 1.00 0.00 C ATOM 7 CD1 TYR A 1 -5.367 10.192 -19.826 1.00 0.00 C ATOM 8 CD2 TYR A 1 -5.473 8.485 -18.106 1.00 0.00 C ATOM 9 CE1 TYR A 1 -4.639 11.017 -18.963 1.00 0.00 C ATOM 10 CE2 TYR A 1 -4.744 9.311 -17.242 1.00 0.00 C ATOM 11 CZ TYR A 1 -4.327 10.577 -17.671 1.00 0.00 C ATOM 12 OH TYR A 1 -3.608 11.391 -16.819 1.00 0.00 O ATOM 13 H1 TYR A 1 -9.764 7.963 -21.387 1.00 0.00 H ATOM 14 H2 TYR A 1 -8.919 6.636 -20.745 1.00 0.00 H ATOM 15 H3 TYR A 1 -8.330 7.436 -22.124 1.00 0.00 H ATOM 16 HA TYR A 1 -8.431 8.445 -19.340 1.00 0.00 H ATOM 17 HB2 TYR A 1 -6.509 7.011 -19.990 1.00 0.00 H ATOM 18 HB3 TYR A 1 -6.162 8.108 -21.327 1.00 0.00 H ATOM 19 HD1 TYR A 1 -5.608 10.531 -20.823 1.00 0.00 H ATOM 20 HD2 TYR A 1 -5.795 7.509 -17.776 1.00 0.00 H ATOM 21 HE1 TYR A 1 -4.316 11.993 -19.293 1.00 0.00 H ATOM 22 HE2 TYR A 1 -4.504 8.971 -16.246 1.00 0.00 H ATOM 23 HH TYR A 1 -2.892 10.872 -16.446 1.00 0.00 H ATOM 24 N SER A 2 -8.163 10.873 -19.977 1.00 0.00 N ATOM 25 CA SER A 2 -8.258 12.273 -20.373 1.00 0.00 C ATOM 26 C SER A 2 -7.992 13.186 -19.181 1.00 0.00 C ATOM 27 O SER A 2 -8.913 13.555 -18.453 1.00 0.00 O ATOM 28 CB SER A 2 -9.648 12.561 -20.940 1.00 0.00 C ATOM 29 OG SER A 2 -10.136 13.777 -20.388 1.00 0.00 O ATOM 30 H SER A 2 -8.112 10.643 -19.025 1.00 0.00 H ATOM 31 HA SER A 2 -7.522 12.471 -21.137 1.00 0.00 H ATOM 32 HB2 SER A 2 -9.589 12.656 -22.011 1.00 0.00 H ATOM 33 HB3 SER A 2 -10.314 11.745 -20.688 1.00 0.00 H ATOM 34 HG SER A 2 -10.651 13.562 -19.606 1.00 0.00 H ATOM 35 N THR A 3 -6.728 13.546 -18.987 1.00 0.00 N ATOM 36 CA THR A 3 -6.351 14.405 -17.871 1.00 0.00 C ATOM 37 C THR A 3 -4.851 14.308 -17.603 1.00 0.00 C ATOM 38 O THR A 3 -4.418 13.594 -16.699 1.00 0.00 O ATOM 39 CB THR A 3 -7.123 13.998 -16.614 1.00 0.00 C ATOM 40 OG1 THR A 3 -8.453 14.492 -16.697 1.00 0.00 O ATOM 41 CG2 THR A 3 -6.436 14.582 -15.379 1.00 0.00 C ATOM 42 H THR A 3 -6.037 13.229 -19.606 1.00 0.00 H ATOM 43 HA THR A 3 -6.597 15.427 -18.116 1.00 0.00 H ATOM 44 HB THR A 3 -7.142 12.922 -16.535 1.00 0.00 H ATOM 45 HG1 THR A 3 -9.033 13.751 -16.890 1.00 0.00 H ATOM 46 HG21 THR A 3 -5.737 13.861 -14.981 1.00 0.00 H ATOM 47 HG22 THR A 3 -7.180 14.814 -14.630 1.00 0.00 H ATOM 48 HG23 THR A 3 -5.908 15.483 -15.653 1.00 0.00 H ATOM 49 N CYS A 4 -4.066 15.032 -18.394 1.00 0.00 N ATOM 50 CA CYS A 4 -4.624 15.863 -19.454 1.00 0.00 C ATOM 51 C CYS A 4 -4.381 15.262 -20.829 1.00 0.00 C ATOM 52 O CYS A 4 -3.664 14.276 -20.998 1.00 0.00 O ATOM 53 CB CYS A 4 -3.992 17.255 -19.414 1.00 0.00 C ATOM 54 SG CYS A 4 -4.944 18.381 -20.463 1.00 0.00 S ATOM 55 H CYS A 4 -3.095 15.006 -18.262 1.00 0.00 H ATOM 56 HA CYS A 4 -5.688 15.959 -19.301 1.00 0.00 H ATOM 57 HB2 CYS A 4 -3.993 17.622 -18.398 1.00 0.00 H ATOM 58 HB3 CYS A 4 -2.976 17.199 -19.775 1.00 0.00 H ATOM 59 N TYR A 5 -5.001 15.884 -21.825 1.00 0.00 N ATOM 60 CA TYR A 5 -4.863 15.427 -23.203 1.00 0.00 C ATOM 61 C TYR A 5 -4.551 16.599 -24.128 1.00 0.00 C ATOM 62 O TYR A 5 -3.586 16.559 -24.891 1.00 0.00 O ATOM 63 CB TYR A 5 -6.155 14.745 -23.659 1.00 0.00 C ATOM 64 CG TYR A 5 -7.333 15.385 -22.966 1.00 0.00 C ATOM 65 CD1 TYR A 5 -7.529 15.193 -21.592 1.00 0.00 C ATOM 66 CD2 TYR A 5 -8.231 16.174 -23.697 1.00 0.00 C ATOM 67 CE1 TYR A 5 -8.622 15.788 -20.951 1.00 0.00 C ATOM 68 CE2 TYR A 5 -9.325 16.768 -23.054 1.00 0.00 C ATOM 69 CZ TYR A 5 -9.520 16.575 -21.682 1.00 0.00 C ATOM 70 OH TYR A 5 -10.598 17.160 -21.049 1.00 0.00 O ATOM 71 H TYR A 5 -5.560 16.666 -21.631 1.00 0.00 H ATOM 72 HA TYR A 5 -4.055 14.713 -23.256 1.00 0.00 H ATOM 73 HB2 TYR A 5 -6.262 14.854 -24.727 1.00 0.00 H ATOM 74 HB3 TYR A 5 -6.116 13.696 -23.405 1.00 0.00 H ATOM 75 HD1 TYR A 5 -6.836 14.586 -21.029 1.00 0.00 H ATOM 76 HD2 TYR A 5 -8.081 16.322 -24.756 1.00 0.00 H ATOM 77 HE1 TYR A 5 -8.773 15.639 -19.892 1.00 0.00 H ATOM 78 HE2 TYR A 5 -10.017 17.375 -23.618 1.00 0.00 H ATOM 79 HH TYR A 5 -10.802 16.640 -20.269 1.00 0.00 H ATOM 80 N PHE A 6 -5.373 17.640 -24.054 1.00 0.00 N ATOM 81 CA PHE A 6 -5.158 18.830 -24.870 1.00 0.00 C ATOM 82 C PHE A 6 -5.880 20.030 -24.267 1.00 0.00 C ATOM 83 O PHE A 6 -5.287 21.091 -24.070 1.00 0.00 O ATOM 84 CB PHE A 6 -5.665 18.588 -26.292 1.00 0.00 C ATOM 85 CG PHE A 6 -4.818 17.527 -26.955 1.00 0.00 C ATOM 86 CD1 PHE A 6 -3.455 17.757 -27.177 1.00 0.00 C ATOM 87 CD2 PHE A 6 -5.397 16.314 -27.347 1.00 0.00 C ATOM 88 CE1 PHE A 6 -2.670 16.773 -27.791 1.00 0.00 C ATOM 89 CE2 PHE A 6 -4.612 15.330 -27.961 1.00 0.00 C ATOM 90 CZ PHE A 6 -3.250 15.561 -28.184 1.00 0.00 C ATOM 91 H PHE A 6 -6.137 17.608 -23.443 1.00 0.00 H ATOM 92 HA PHE A 6 -4.099 19.041 -24.908 1.00 0.00 H ATOM 93 HB2 PHE A 6 -6.693 18.258 -26.256 1.00 0.00 H ATOM 94 HB3 PHE A 6 -5.600 19.504 -26.858 1.00 0.00 H ATOM 95 HD1 PHE A 6 -3.009 18.693 -26.875 1.00 0.00 H ATOM 96 HD2 PHE A 6 -6.448 16.137 -27.176 1.00 0.00 H ATOM 97 HE1 PHE A 6 -1.619 16.951 -27.963 1.00 0.00 H ATOM 98 HE2 PHE A 6 -5.058 14.395 -28.264 1.00 0.00 H ATOM 99 HZ PHE A 6 -2.644 14.801 -28.658 1.00 0.00 H ATOM 100 N ILE A 7 -7.166 19.856 -23.977 1.00 0.00 N ATOM 101 CA ILE A 7 -7.956 20.927 -23.382 1.00 0.00 C ATOM 102 C ILE A 7 -7.567 21.133 -21.922 1.00 0.00 C ATOM 103 O ILE A 7 -7.384 22.264 -21.472 1.00 0.00 O ATOM 104 CB ILE A 7 -9.445 20.590 -23.473 1.00 0.00 C ATOM 105 CG1 ILE A 7 -9.769 20.092 -24.884 1.00 0.00 C ATOM 106 CG2 ILE A 7 -10.273 21.841 -23.173 1.00 0.00 C ATOM 107 CD1 ILE A 7 -11.286 20.007 -25.060 1.00 0.00 C ATOM 108 H ILE A 7 -7.589 18.993 -24.166 1.00 0.00 H ATOM 109 HA ILE A 7 -7.772 21.841 -23.926 1.00 0.00 H ATOM 110 HB ILE A 7 -9.684 19.820 -22.754 1.00 0.00 H ATOM 111 HG12 ILE A 7 -9.359 20.779 -25.610 1.00 0.00 H ATOM 112 HG13 ILE A 7 -9.336 19.114 -25.029 1.00 0.00 H ATOM 113 HG21 ILE A 7 -11.283 21.553 -22.925 1.00 0.00 H ATOM 114 HG22 ILE A 7 -10.282 22.483 -24.042 1.00 0.00 H ATOM 115 HG23 ILE A 7 -9.834 22.370 -22.340 1.00 0.00 H ATOM 116 HD11 ILE A 7 -11.515 19.405 -25.927 1.00 0.00 H ATOM 117 HD12 ILE A 7 -11.689 21.000 -25.195 1.00 0.00 H ATOM 118 HD13 ILE A 7 -11.725 19.556 -24.182 1.00 0.00 H ATOM 119 N MET A 8 -7.444 20.032 -21.187 1.00 0.00 N ATOM 120 CA MET A 8 -7.082 20.104 -19.776 1.00 0.00 C ATOM 121 C MET A 8 -6.295 18.866 -19.361 1.00 0.00 C ATOM 122 O MET A 8 -6.263 18.578 -18.175 1.00 0.00 O ATOM 123 CB MET A 8 -8.343 20.221 -18.919 1.00 0.00 C ATOM 124 CG MET A 8 -9.101 21.495 -19.296 1.00 0.00 C ATOM 125 SD MET A 8 -10.400 21.809 -18.074 1.00 0.00 S ATOM 126 CE MET A 8 -9.312 22.218 -16.687 1.00 0.00 C ATOM 127 H MET A 8 -7.598 19.158 -21.600 1.00 0.00 H ATOM 128 HA MET A 8 -6.470 20.978 -19.615 1.00 0.00 H ATOM 129 HB2 MET A 8 -8.975 19.361 -19.089 1.00 0.00 H ATOM 130 HB3 MET A 8 -8.068 20.264 -17.876 1.00 0.00 H ATOM 131 HG2 MET A 8 -8.416 22.329 -19.315 1.00 0.00 H ATOM 132 HG3 MET A 8 -9.548 21.373 -20.271 1.00 0.00 H ATOM 133 HE1 MET A 8 -9.779 22.977 -16.075 1.00 0.00 H ATOM 134 HE2 MET A 8 -8.372 22.592 -17.062 1.00 0.00 H ATOM 135 HE3 MET A 8 -9.134 21.330 -16.097 1.00 0.00 H TER 136 MET A 8 ENDMDL MODEL 6 ATOM 1 N TYR A 1 -7.803 6.409 -20.290 1.00 0.00 N ATOM 2 CA TYR A 1 -7.255 7.594 -19.574 1.00 0.00 C ATOM 3 C TYR A 1 -7.594 8.859 -20.355 1.00 0.00 C ATOM 4 O TYR A 1 -7.610 8.853 -21.586 1.00 0.00 O ATOM 5 CB TYR A 1 -5.738 7.452 -19.443 1.00 0.00 C ATOM 6 CG TYR A 1 -5.193 8.592 -18.616 1.00 0.00 C ATOM 7 CD1 TYR A 1 -5.013 9.853 -19.198 1.00 0.00 C ATOM 8 CD2 TYR A 1 -4.870 8.389 -17.270 1.00 0.00 C ATOM 9 CE1 TYR A 1 -4.508 10.911 -18.432 1.00 0.00 C ATOM 10 CE2 TYR A 1 -4.366 9.447 -16.504 1.00 0.00 C ATOM 11 CZ TYR A 1 -4.185 10.708 -17.084 1.00 0.00 C ATOM 12 OH TYR A 1 -3.688 11.751 -16.330 1.00 0.00 O ATOM 13 H1 TYR A 1 -7.502 6.434 -21.285 1.00 0.00 H ATOM 14 H2 TYR A 1 -8.843 6.423 -20.240 1.00 0.00 H ATOM 15 H3 TYR A 1 -7.445 5.538 -19.846 1.00 0.00 H ATOM 16 HA TYR A 1 -7.696 7.653 -18.589 1.00 0.00 H ATOM 17 HB2 TYR A 1 -5.504 6.514 -18.960 1.00 0.00 H ATOM 18 HB3 TYR A 1 -5.287 7.473 -20.424 1.00 0.00 H ATOM 19 HD1 TYR A 1 -5.262 10.010 -20.236 1.00 0.00 H ATOM 20 HD2 TYR A 1 -5.009 7.417 -16.821 1.00 0.00 H ATOM 21 HE1 TYR A 1 -4.369 11.884 -18.879 1.00 0.00 H ATOM 22 HE2 TYR A 1 -4.116 9.290 -15.464 1.00 0.00 H ATOM 23 HH TYR A 1 -3.967 11.619 -15.421 1.00 0.00 H ATOM 24 N SER A 2 -7.863 9.941 -19.633 1.00 0.00 N ATOM 25 CA SER A 2 -8.196 11.210 -20.270 1.00 0.00 C ATOM 26 C SER A 2 -8.160 12.346 -19.253 1.00 0.00 C ATOM 27 O SER A 2 -9.138 12.592 -18.547 1.00 0.00 O ATOM 28 CB SER A 2 -9.587 11.130 -20.897 1.00 0.00 C ATOM 29 OG SER A 2 -9.879 12.358 -21.552 1.00 0.00 O ATOM 30 H SER A 2 -7.839 9.886 -18.654 1.00 0.00 H ATOM 31 HA SER A 2 -7.474 11.411 -21.047 1.00 0.00 H ATOM 32 HB2 SER A 2 -9.614 10.330 -21.619 1.00 0.00 H ATOM 33 HB3 SER A 2 -10.320 10.939 -20.124 1.00 0.00 H ATOM 34 HG SER A 2 -10.456 12.869 -20.978 1.00 0.00 H ATOM 35 N THR A 3 -7.025 13.035 -19.183 1.00 0.00 N ATOM 36 CA THR A 3 -6.872 14.142 -18.247 1.00 0.00 C ATOM 37 C THR A 3 -5.405 14.325 -17.869 1.00 0.00 C ATOM 38 O THR A 3 -4.891 13.638 -16.986 1.00 0.00 O ATOM 39 CB THR A 3 -7.697 13.878 -16.985 1.00 0.00 C ATOM 40 OG1 THR A 3 -9.058 14.199 -17.237 1.00 0.00 O ATOM 41 CG2 THR A 3 -7.171 14.743 -15.839 1.00 0.00 C ATOM 42 H THR A 3 -6.280 12.795 -19.772 1.00 0.00 H ATOM 43 HA THR A 3 -7.229 15.049 -18.713 1.00 0.00 H ATOM 44 HB THR A 3 -7.615 12.837 -16.713 1.00 0.00 H ATOM 45 HG1 THR A 3 -9.567 13.385 -17.194 1.00 0.00 H ATOM 46 HG21 THR A 3 -6.840 15.694 -16.228 1.00 0.00 H ATOM 47 HG22 THR A 3 -6.342 14.242 -15.362 1.00 0.00 H ATOM 48 HG23 THR A 3 -7.958 14.902 -15.118 1.00 0.00 H ATOM 49 N CYS A 4 -4.738 15.256 -18.544 1.00 0.00 N ATOM 50 CA CYS A 4 -5.386 16.042 -19.587 1.00 0.00 C ATOM 51 C CYS A 4 -5.160 15.404 -20.959 1.00 0.00 C ATOM 52 O CYS A 4 -4.382 14.458 -21.086 1.00 0.00 O ATOM 53 CB CYS A 4 -4.778 17.445 -19.635 1.00 0.00 C ATOM 54 SG CYS A 4 -5.636 18.431 -20.888 1.00 0.00 S ATOM 55 H CYS A 4 -3.792 15.416 -18.337 1.00 0.00 H ATOM 56 HA CYS A 4 -6.437 16.126 -19.359 1.00 0.00 H ATOM 57 HB2 CYS A 4 -4.886 17.918 -18.669 1.00 0.00 H ATOM 58 HB3 CYS A 4 -3.731 17.376 -19.887 1.00 0.00 H ATOM 59 N TYR A 5 -5.812 15.947 -21.982 1.00 0.00 N ATOM 60 CA TYR A 5 -5.639 15.443 -23.340 1.00 0.00 C ATOM 61 C TYR A 5 -5.403 16.593 -24.312 1.00 0.00 C ATOM 62 O TYR A 5 -4.728 16.430 -25.329 1.00 0.00 O ATOM 63 CB TYR A 5 -6.880 14.658 -23.767 1.00 0.00 C ATOM 64 CG TYR A 5 -8.067 15.104 -22.946 1.00 0.00 C ATOM 65 CD1 TYR A 5 -8.361 14.464 -21.736 1.00 0.00 C ATOM 66 CD2 TYR A 5 -8.871 16.157 -23.395 1.00 0.00 C ATOM 67 CE1 TYR A 5 -9.460 14.877 -20.975 1.00 0.00 C ATOM 68 CE2 TYR A 5 -9.971 16.570 -22.634 1.00 0.00 C ATOM 69 CZ TYR A 5 -10.266 15.930 -21.424 1.00 0.00 C ATOM 70 OH TYR A 5 -11.350 16.338 -20.674 1.00 0.00 O ATOM 71 H TYR A 5 -6.420 16.699 -21.821 1.00 0.00 H ATOM 72 HA TYR A 5 -4.784 14.783 -23.362 1.00 0.00 H ATOM 73 HB2 TYR A 5 -7.078 14.839 -24.814 1.00 0.00 H ATOM 74 HB3 TYR A 5 -6.711 13.603 -23.610 1.00 0.00 H ATOM 75 HD1 TYR A 5 -7.739 13.651 -21.390 1.00 0.00 H ATOM 76 HD2 TYR A 5 -8.645 16.650 -24.328 1.00 0.00 H ATOM 77 HE1 TYR A 5 -9.687 14.384 -20.042 1.00 0.00 H ATOM 78 HE2 TYR A 5 -10.593 17.383 -22.980 1.00 0.00 H ATOM 79 HH TYR A 5 -11.416 15.761 -19.909 1.00 0.00 H ATOM 80 N PHE A 6 -5.962 17.756 -23.993 1.00 0.00 N ATOM 81 CA PHE A 6 -5.792 18.931 -24.840 1.00 0.00 C ATOM 82 C PHE A 6 -6.311 20.179 -24.134 1.00 0.00 C ATOM 83 O PHE A 6 -7.486 20.257 -23.771 1.00 0.00 O ATOM 84 CB PHE A 6 -6.545 18.738 -26.158 1.00 0.00 C ATOM 85 CG PHE A 6 -5.675 17.975 -27.127 1.00 0.00 C ATOM 86 CD1 PHE A 6 -4.486 18.545 -27.599 1.00 0.00 C ATOM 87 CD2 PHE A 6 -6.057 16.698 -27.555 1.00 0.00 C ATOM 88 CE1 PHE A 6 -3.679 17.837 -28.498 1.00 0.00 C ATOM 89 CE2 PHE A 6 -5.250 15.991 -28.454 1.00 0.00 C ATOM 90 CZ PHE A 6 -4.062 16.560 -28.926 1.00 0.00 C ATOM 91 H PHE A 6 -6.496 17.825 -23.175 1.00 0.00 H ATOM 92 HA PHE A 6 -4.742 19.061 -25.054 1.00 0.00 H ATOM 93 HB2 PHE A 6 -7.454 18.184 -25.975 1.00 0.00 H ATOM 94 HB3 PHE A 6 -6.789 19.703 -26.577 1.00 0.00 H ATOM 95 HD1 PHE A 6 -4.191 19.530 -27.269 1.00 0.00 H ATOM 96 HD2 PHE A 6 -6.974 16.259 -27.191 1.00 0.00 H ATOM 97 HE1 PHE A 6 -2.762 18.276 -28.862 1.00 0.00 H ATOM 98 HE2 PHE A 6 -5.546 15.005 -28.784 1.00 0.00 H ATOM 99 HZ PHE A 6 -3.439 16.013 -29.620 1.00 0.00 H ATOM 100 N ILE A 7 -5.428 21.155 -23.940 1.00 0.00 N ATOM 101 CA ILE A 7 -5.811 22.398 -23.281 1.00 0.00 C ATOM 102 C ILE A 7 -6.155 22.145 -21.817 1.00 0.00 C ATOM 103 O ILE A 7 -5.827 22.949 -20.945 1.00 0.00 O ATOM 104 CB ILE A 7 -7.016 23.016 -23.991 1.00 0.00 C ATOM 105 CG1 ILE A 7 -6.758 23.049 -25.498 1.00 0.00 C ATOM 106 CG2 ILE A 7 -7.234 24.442 -23.481 1.00 0.00 C ATOM 107 CD1 ILE A 7 -7.854 23.864 -26.187 1.00 0.00 C ATOM 108 H ILE A 7 -4.505 21.035 -24.246 1.00 0.00 H ATOM 109 HA ILE A 7 -4.984 23.091 -23.333 1.00 0.00 H ATOM 110 HB ILE A 7 -7.896 22.422 -23.787 1.00 0.00 H ATOM 111 HG12 ILE A 7 -5.796 23.504 -25.688 1.00 0.00 H ATOM 112 HG13 ILE A 7 -6.762 22.042 -25.887 1.00 0.00 H ATOM 113 HG21 ILE A 7 -7.152 24.455 -22.404 1.00 0.00 H ATOM 114 HG22 ILE A 7 -8.217 24.782 -23.771 1.00 0.00 H ATOM 115 HG23 ILE A 7 -6.487 25.094 -23.906 1.00 0.00 H ATOM 116 HD11 ILE A 7 -7.833 23.669 -27.249 1.00 0.00 H ATOM 117 HD12 ILE A 7 -7.685 24.916 -26.011 1.00 0.00 H ATOM 118 HD13 ILE A 7 -8.817 23.581 -25.788 1.00 0.00 H ATOM 119 N MET A 8 -6.815 21.021 -21.555 1.00 0.00 N ATOM 120 CA MET A 8 -7.211 20.679 -20.193 1.00 0.00 C ATOM 121 C MET A 8 -6.956 19.202 -19.917 1.00 0.00 C ATOM 122 O MET A 8 -7.254 18.764 -18.818 1.00 0.00 O ATOM 123 CB MET A 8 -8.694 20.990 -19.987 1.00 0.00 C ATOM 124 CG MET A 8 -8.906 22.506 -20.004 1.00 0.00 C ATOM 125 SD MET A 8 -8.150 23.236 -18.530 1.00 0.00 S ATOM 126 CE MET A 8 -7.712 24.830 -19.265 1.00 0.00 C ATOM 127 H MET A 8 -7.040 20.413 -22.289 1.00 0.00 H ATOM 128 HA MET A 8 -6.631 21.271 -19.501 1.00 0.00 H ATOM 129 HB2 MET A 8 -9.271 20.538 -20.782 1.00 0.00 H ATOM 130 HB3 MET A 8 -9.017 20.595 -19.036 1.00 0.00 H ATOM 131 HG2 MET A 8 -8.447 22.924 -20.888 1.00 0.00 H ATOM 132 HG3 MET A 8 -9.964 22.722 -20.009 1.00 0.00 H ATOM 133 HE1 MET A 8 -7.688 25.587 -18.493 1.00 0.00 H ATOM 134 HE2 MET A 8 -8.447 25.099 -20.006 1.00 0.00 H ATOM 135 HE3 MET A 8 -6.741 24.755 -19.734 1.00 0.00 H TER 136 MET A 8 ENDMDL MODEL 7 ATOM 1 N TYR A 1 -8.195 6.545 -20.649 1.00 0.00 N ATOM 2 CA TYR A 1 -7.470 7.649 -19.960 1.00 0.00 C ATOM 3 C TYR A 1 -7.857 8.981 -20.594 1.00 0.00 C ATOM 4 O TYR A 1 -8.046 9.070 -21.807 1.00 0.00 O ATOM 5 CB TYR A 1 -5.963 7.426 -20.093 1.00 0.00 C ATOM 6 CG TYR A 1 -5.228 8.421 -19.225 1.00 0.00 C ATOM 7 CD1 TYR A 1 -5.085 9.746 -19.647 1.00 0.00 C ATOM 8 CD2 TYR A 1 -4.689 8.014 -17.998 1.00 0.00 C ATOM 9 CE1 TYR A 1 -4.404 10.669 -18.842 1.00 0.00 C ATOM 10 CE2 TYR A 1 -4.008 8.935 -17.194 1.00 0.00 C ATOM 11 CZ TYR A 1 -3.865 10.263 -17.616 1.00 0.00 C ATOM 12 OH TYR A 1 -3.195 11.170 -16.823 1.00 0.00 O ATOM 13 H1 TYR A 1 -8.264 6.754 -21.665 1.00 0.00 H ATOM 14 H2 TYR A 1 -9.152 6.455 -20.247 1.00 0.00 H ATOM 15 H3 TYR A 1 -7.678 5.653 -20.514 1.00 0.00 H ATOM 16 HA TYR A 1 -7.741 7.658 -18.914 1.00 0.00 H ATOM 17 HB2 TYR A 1 -5.719 6.423 -19.777 1.00 0.00 H ATOM 18 HB3 TYR A 1 -5.667 7.562 -21.122 1.00 0.00 H ATOM 19 HD1 TYR A 1 -5.501 10.060 -20.593 1.00 0.00 H ATOM 20 HD2 TYR A 1 -4.799 6.990 -17.672 1.00 0.00 H ATOM 21 HE1 TYR A 1 -4.295 11.692 -19.169 1.00 0.00 H ATOM 22 HE2 TYR A 1 -3.593 8.622 -16.247 1.00 0.00 H ATOM 23 HH TYR A 1 -2.257 11.101 -17.020 1.00 0.00 H ATOM 24 N SER A 2 -7.974 10.014 -19.765 1.00 0.00 N ATOM 25 CA SER A 2 -8.335 11.338 -20.257 1.00 0.00 C ATOM 26 C SER A 2 -8.150 12.385 -19.164 1.00 0.00 C ATOM 27 O SER A 2 -9.111 12.791 -18.510 1.00 0.00 O ATOM 28 CB SER A 2 -9.790 11.342 -20.728 1.00 0.00 C ATOM 29 OG SER A 2 -9.996 12.441 -21.606 1.00 0.00 O ATOM 30 H SER A 2 -7.815 9.883 -18.807 1.00 0.00 H ATOM 31 HA SER A 2 -7.698 11.587 -21.092 1.00 0.00 H ATOM 32 HB2 SER A 2 -10.003 10.425 -21.250 1.00 0.00 H ATOM 33 HB3 SER A 2 -10.444 11.425 -19.869 1.00 0.00 H ATOM 34 HG SER A 2 -10.772 12.919 -21.304 1.00 0.00 H ATOM 35 N THR A 3 -6.907 12.817 -18.969 1.00 0.00 N ATOM 36 CA THR A 3 -6.608 13.819 -17.953 1.00 0.00 C ATOM 37 C THR A 3 -5.112 13.854 -17.659 1.00 0.00 C ATOM 38 O THR A 3 -4.592 13.006 -16.935 1.00 0.00 O ATOM 39 CB THR A 3 -7.375 13.504 -16.666 1.00 0.00 C ATOM 40 OG1 THR A 3 -8.711 13.974 -16.787 1.00 0.00 O ATOM 41 CG2 THR A 3 -6.694 14.193 -15.483 1.00 0.00 C ATOM 42 H THR A 3 -6.181 12.457 -19.520 1.00 0.00 H ATOM 43 HA THR A 3 -6.917 14.789 -18.315 1.00 0.00 H ATOM 44 HB THR A 3 -7.381 12.438 -16.503 1.00 0.00 H ATOM 45 HG1 THR A 3 -9.272 13.223 -16.993 1.00 0.00 H ATOM 46 HG21 THR A 3 -6.327 15.160 -15.791 1.00 0.00 H ATOM 47 HG22 THR A 3 -5.869 13.587 -15.141 1.00 0.00 H ATOM 48 HG23 THR A 3 -7.407 14.317 -14.680 1.00 0.00 H ATOM 49 N CYS A 4 -4.425 14.840 -18.227 1.00 0.00 N ATOM 50 CA CYS A 4 -5.083 15.824 -19.080 1.00 0.00 C ATOM 51 C CYS A 4 -5.041 15.371 -20.548 1.00 0.00 C ATOM 52 O CYS A 4 -4.466 14.336 -20.883 1.00 0.00 O ATOM 53 CB CYS A 4 -4.384 17.178 -18.951 1.00 0.00 C ATOM 54 SG CYS A 4 -5.624 18.485 -18.795 1.00 0.00 S ATOM 55 H CYS A 4 -3.460 14.908 -18.070 1.00 0.00 H ATOM 56 HA CYS A 4 -6.109 15.931 -18.764 1.00 0.00 H ATOM 57 HB2 CYS A 4 -3.751 17.174 -18.076 1.00 0.00 H ATOM 58 HB3 CYS A 4 -3.782 17.357 -19.830 1.00 0.00 H ATOM 59 N TYR A 5 -5.651 16.173 -21.414 1.00 0.00 N ATOM 60 CA TYR A 5 -5.676 15.864 -22.840 1.00 0.00 C ATOM 61 C TYR A 5 -6.303 17.011 -23.626 1.00 0.00 C ATOM 62 O TYR A 5 -7.517 17.211 -23.590 1.00 0.00 O ATOM 63 CB TYR A 5 -6.474 14.582 -23.081 1.00 0.00 C ATOM 64 CG TYR A 5 -7.886 14.765 -22.582 1.00 0.00 C ATOM 65 CD1 TYR A 5 -8.166 14.651 -21.216 1.00 0.00 C ATOM 66 CD2 TYR A 5 -8.917 15.048 -23.487 1.00 0.00 C ATOM 67 CE1 TYR A 5 -9.477 14.821 -20.753 1.00 0.00 C ATOM 68 CE2 TYR A 5 -10.227 15.218 -23.023 1.00 0.00 C ATOM 69 CZ TYR A 5 -10.508 15.105 -21.656 1.00 0.00 C ATOM 70 OH TYR A 5 -11.799 15.272 -21.200 1.00 0.00 O ATOM 71 H TYR A 5 -6.093 16.986 -21.090 1.00 0.00 H ATOM 72 HA TYR A 5 -4.663 15.715 -23.183 1.00 0.00 H ATOM 73 HB2 TYR A 5 -6.491 14.363 -24.139 1.00 0.00 H ATOM 74 HB3 TYR A 5 -6.008 13.763 -22.553 1.00 0.00 H ATOM 75 HD1 TYR A 5 -7.371 14.432 -20.518 1.00 0.00 H ATOM 76 HD2 TYR A 5 -8.702 15.137 -24.541 1.00 0.00 H ATOM 77 HE1 TYR A 5 -9.692 14.733 -19.698 1.00 0.00 H ATOM 78 HE2 TYR A 5 -11.023 15.437 -23.721 1.00 0.00 H ATOM 79 HH TYR A 5 -12.097 14.433 -20.840 1.00 0.00 H ATOM 80 N PHE A 6 -5.467 17.762 -24.336 1.00 0.00 N ATOM 81 CA PHE A 6 -5.950 18.889 -25.124 1.00 0.00 C ATOM 82 C PHE A 6 -6.677 19.893 -24.236 1.00 0.00 C ATOM 83 O PHE A 6 -7.427 19.513 -23.338 1.00 0.00 O ATOM 84 CB PHE A 6 -6.897 18.393 -26.218 1.00 0.00 C ATOM 85 CG PHE A 6 -6.094 17.809 -27.355 1.00 0.00 C ATOM 86 CD1 PHE A 6 -5.688 16.471 -27.311 1.00 0.00 C ATOM 87 CD2 PHE A 6 -5.754 18.607 -28.454 1.00 0.00 C ATOM 88 CE1 PHE A 6 -4.942 15.929 -28.365 1.00 0.00 C ATOM 89 CE2 PHE A 6 -5.007 18.067 -29.508 1.00 0.00 C ATOM 90 CZ PHE A 6 -4.603 16.728 -29.464 1.00 0.00 C ATOM 91 H PHE A 6 -4.509 17.555 -24.328 1.00 0.00 H ATOM 92 HA PHE A 6 -5.108 19.378 -25.590 1.00 0.00 H ATOM 93 HB2 PHE A 6 -7.550 17.634 -25.812 1.00 0.00 H ATOM 94 HB3 PHE A 6 -7.490 19.218 -26.584 1.00 0.00 H ATOM 95 HD1 PHE A 6 -5.951 15.854 -26.464 1.00 0.00 H ATOM 96 HD2 PHE A 6 -6.066 19.642 -28.488 1.00 0.00 H ATOM 97 HE1 PHE A 6 -4.630 14.896 -28.330 1.00 0.00 H ATOM 98 HE2 PHE A 6 -4.746 18.682 -30.355 1.00 0.00 H ATOM 99 HZ PHE A 6 -4.027 16.311 -30.277 1.00 0.00 H ATOM 100 N ILE A 7 -6.449 21.178 -24.493 1.00 0.00 N ATOM 101 CA ILE A 7 -7.081 22.228 -23.704 1.00 0.00 C ATOM 102 C ILE A 7 -6.581 22.191 -22.263 1.00 0.00 C ATOM 103 O ILE A 7 -6.273 23.228 -21.677 1.00 0.00 O ATOM 104 CB ILE A 7 -8.601 22.053 -23.723 1.00 0.00 C ATOM 105 CG1 ILE A 7 -9.069 21.827 -25.164 1.00 0.00 C ATOM 106 CG2 ILE A 7 -9.267 23.311 -23.163 1.00 0.00 C ATOM 107 CD1 ILE A 7 -10.594 21.911 -25.224 1.00 0.00 C ATOM 108 H ILE A 7 -5.846 21.422 -25.226 1.00 0.00 H ATOM 109 HA ILE A 7 -6.836 23.186 -24.136 1.00 0.00 H ATOM 110 HB ILE A 7 -8.872 21.202 -23.117 1.00 0.00 H ATOM 111 HG12 ILE A 7 -8.640 22.585 -25.804 1.00 0.00 H ATOM 112 HG13 ILE A 7 -8.750 20.851 -25.497 1.00 0.00 H ATOM 113 HG21 ILE A 7 -10.295 23.093 -22.913 1.00 0.00 H ATOM 114 HG22 ILE A 7 -9.237 24.095 -23.906 1.00 0.00 H ATOM 115 HG23 ILE A 7 -8.740 23.633 -22.277 1.00 0.00 H ATOM 116 HD11 ILE A 7 -10.901 22.944 -25.159 1.00 0.00 H ATOM 117 HD12 ILE A 7 -11.019 21.357 -24.399 1.00 0.00 H ATOM 118 HD13 ILE A 7 -10.942 21.491 -26.156 1.00 0.00 H ATOM 119 N MET A 8 -6.505 20.989 -21.700 1.00 0.00 N ATOM 120 CA MET A 8 -6.049 20.830 -20.324 1.00 0.00 C ATOM 121 C MET A 8 -5.203 19.568 -20.183 1.00 0.00 C ATOM 122 O MET A 8 -4.679 19.115 -21.187 1.00 0.00 O ATOM 123 CB MET A 8 -7.249 20.750 -19.381 1.00 0.00 C ATOM 124 CG MET A 8 -8.103 22.011 -19.531 1.00 0.00 C ATOM 125 SD MET A 8 -7.102 23.466 -19.131 1.00 0.00 S ATOM 126 CE MET A 8 -6.817 23.074 -17.389 1.00 0.00 C ATOM 127 H MET A 8 -6.760 20.198 -22.217 1.00 0.00 H ATOM 128 HA MET A 8 -5.448 21.686 -20.052 1.00 0.00 H ATOM 129 HB2 MET A 8 -7.844 19.881 -19.627 1.00 0.00 H ATOM 130 HB3 MET A 8 -6.903 20.671 -18.361 1.00 0.00 H ATOM 131 HG2 MET A 8 -8.458 22.087 -20.548 1.00 0.00 H ATOM 132 HG3 MET A 8 -8.946 21.958 -18.858 1.00 0.00 H ATOM 133 HE1 MET A 8 -7.650 22.498 -17.009 1.00 0.00 H ATOM 134 HE2 MET A 8 -6.726 23.987 -16.822 1.00 0.00 H ATOM 135 HE3 MET A 8 -5.904 22.502 -17.294 1.00 0.00 H TER 136 MET A 8 ENDMDL MODEL 8 ATOM 1 N TYR A 1 -10.288 9.172 -20.711 1.00 0.00 N ATOM 2 CA TYR A 1 -9.797 9.445 -19.331 1.00 0.00 C ATOM 3 C TYR A 1 -9.114 10.807 -19.297 1.00 0.00 C ATOM 4 O TYR A 1 -9.188 11.526 -18.300 1.00 0.00 O ATOM 5 CB TYR A 1 -8.808 8.353 -18.919 1.00 0.00 C ATOM 6 CG TYR A 1 -7.571 8.444 -19.779 1.00 0.00 C ATOM 7 CD1 TYR A 1 -6.580 9.388 -19.484 1.00 0.00 C ATOM 8 CD2 TYR A 1 -7.414 7.583 -20.873 1.00 0.00 C ATOM 9 CE1 TYR A 1 -5.433 9.472 -20.282 1.00 0.00 C ATOM 10 CE2 TYR A 1 -6.268 7.667 -21.671 1.00 0.00 C ATOM 11 CZ TYR A 1 -5.277 8.611 -21.376 1.00 0.00 C ATOM 12 OH TYR A 1 -4.146 8.694 -22.162 1.00 0.00 O ATOM 13 H1 TYR A 1 -9.484 8.928 -21.323 1.00 0.00 H ATOM 14 H2 TYR A 1 -10.765 10.018 -21.083 1.00 0.00 H ATOM 15 H3 TYR A 1 -10.957 8.377 -20.691 1.00 0.00 H ATOM 16 HA TYR A 1 -10.634 9.447 -18.647 1.00 0.00 H ATOM 17 HB2 TYR A 1 -8.536 8.487 -17.882 1.00 0.00 H ATOM 18 HB3 TYR A 1 -9.266 7.383 -19.049 1.00 0.00 H ATOM 19 HD1 TYR A 1 -6.701 10.051 -18.640 1.00 0.00 H ATOM 20 HD2 TYR A 1 -8.179 6.855 -21.101 1.00 0.00 H ATOM 21 HE1 TYR A 1 -4.669 10.200 -20.054 1.00 0.00 H ATOM 22 HE2 TYR A 1 -6.147 7.004 -22.514 1.00 0.00 H ATOM 23 HH TYR A 1 -4.059 7.868 -22.645 1.00 0.00 H ATOM 24 N SER A 2 -8.449 11.156 -20.393 1.00 0.00 N ATOM 25 CA SER A 2 -7.752 12.435 -20.477 1.00 0.00 C ATOM 26 C SER A 2 -6.773 12.589 -19.317 1.00 0.00 C ATOM 27 O SER A 2 -7.176 12.656 -18.156 1.00 0.00 O ATOM 28 CB SER A 2 -8.763 13.582 -20.449 1.00 0.00 C ATOM 29 OG SER A 2 -8.792 14.151 -19.147 1.00 0.00 O ATOM 30 H SER A 2 -8.425 10.544 -21.158 1.00 0.00 H ATOM 31 HA SER A 2 -7.205 12.476 -21.406 1.00 0.00 H ATOM 32 HB2 SER A 2 -8.473 14.339 -21.159 1.00 0.00 H ATOM 33 HB3 SER A 2 -9.742 13.204 -20.710 1.00 0.00 H ATOM 34 HG SER A 2 -7.885 14.288 -18.862 1.00 0.00 H ATOM 35 N THR A 3 -5.485 12.646 -19.640 1.00 0.00 N ATOM 36 CA THR A 3 -4.456 12.784 -18.617 1.00 0.00 C ATOM 37 C THR A 3 -4.657 14.073 -17.825 1.00 0.00 C ATOM 38 O THR A 3 -4.605 14.072 -16.597 1.00 0.00 O ATOM 39 CB THR A 3 -3.071 12.792 -19.267 1.00 0.00 C ATOM 40 OG1 THR A 3 -3.055 11.879 -20.356 1.00 0.00 O ATOM 41 CG2 THR A 3 -2.019 12.377 -18.236 1.00 0.00 C ATOM 42 H THR A 3 -5.223 12.595 -20.583 1.00 0.00 H ATOM 43 HA THR A 3 -4.520 11.945 -17.941 1.00 0.00 H ATOM 44 HB THR A 3 -2.846 13.784 -19.625 1.00 0.00 H ATOM 45 HG1 THR A 3 -2.299 12.090 -20.909 1.00 0.00 H ATOM 46 HG21 THR A 3 -2.194 12.907 -17.312 1.00 0.00 H ATOM 47 HG22 THR A 3 -1.035 12.619 -18.609 1.00 0.00 H ATOM 48 HG23 THR A 3 -2.087 11.315 -18.060 1.00 0.00 H ATOM 49 N CYS A 4 -4.884 15.171 -18.540 1.00 0.00 N ATOM 50 CA CYS A 4 -4.936 15.125 -19.997 1.00 0.00 C ATOM 51 C CYS A 4 -3.714 15.799 -20.629 1.00 0.00 C ATOM 52 O CYS A 4 -2.701 16.051 -19.978 1.00 0.00 O ATOM 53 CB CYS A 4 -6.206 15.815 -20.497 1.00 0.00 C ATOM 54 SG CYS A 4 -5.935 17.603 -20.560 1.00 0.00 S ATOM 55 H CYS A 4 -5.021 16.025 -18.079 1.00 0.00 H ATOM 56 HA CYS A 4 -4.951 14.094 -20.315 1.00 0.00 H ATOM 57 HB2 CYS A 4 -6.447 15.453 -21.485 1.00 0.00 H ATOM 58 HB3 CYS A 4 -7.022 15.599 -19.824 1.00 0.00 H ATOM 59 N TYR A 5 -3.824 16.062 -21.928 1.00 0.00 N ATOM 60 CA TYR A 5 -2.724 16.666 -22.670 1.00 0.00 C ATOM 61 C TYR A 5 -3.152 18.003 -23.269 1.00 0.00 C ATOM 62 O TYR A 5 -2.333 18.904 -23.447 1.00 0.00 O ATOM 63 CB TYR A 5 -2.269 15.727 -23.789 1.00 0.00 C ATOM 64 CG TYR A 5 -3.341 14.695 -24.046 1.00 0.00 C ATOM 65 CD1 TYR A 5 -3.336 13.488 -23.337 1.00 0.00 C ATOM 66 CD2 TYR A 5 -4.341 14.945 -24.994 1.00 0.00 C ATOM 67 CE1 TYR A 5 -4.330 12.531 -23.576 1.00 0.00 C ATOM 68 CE2 TYR A 5 -5.335 13.989 -25.232 1.00 0.00 C ATOM 69 CZ TYR A 5 -5.329 12.782 -24.524 1.00 0.00 C ATOM 70 OH TYR A 5 -6.309 11.839 -24.759 1.00 0.00 O ATOM 71 H TYR A 5 -4.659 15.846 -22.394 1.00 0.00 H ATOM 72 HA TYR A 5 -1.896 16.833 -21.998 1.00 0.00 H ATOM 73 HB2 TYR A 5 -2.095 16.297 -24.689 1.00 0.00 H ATOM 74 HB3 TYR A 5 -1.357 15.231 -23.493 1.00 0.00 H ATOM 75 HD1 TYR A 5 -2.565 13.294 -22.606 1.00 0.00 H ATOM 76 HD2 TYR A 5 -4.346 15.877 -25.541 1.00 0.00 H ATOM 77 HE1 TYR A 5 -4.326 11.600 -23.029 1.00 0.00 H ATOM 78 HE2 TYR A 5 -6.107 14.182 -25.964 1.00 0.00 H ATOM 79 HH TYR A 5 -6.793 12.104 -25.545 1.00 0.00 H ATOM 80 N PHE A 6 -4.439 18.123 -23.576 1.00 0.00 N ATOM 81 CA PHE A 6 -4.968 19.359 -24.141 1.00 0.00 C ATOM 82 C PHE A 6 -6.486 19.402 -24.009 1.00 0.00 C ATOM 83 O PHE A 6 -7.151 18.367 -24.035 1.00 0.00 O ATOM 84 CB PHE A 6 -4.578 19.467 -25.616 1.00 0.00 C ATOM 85 CG PHE A 6 -3.125 19.863 -25.727 1.00 0.00 C ATOM 86 CD1 PHE A 6 -2.694 21.092 -25.211 1.00 0.00 C ATOM 87 CD2 PHE A 6 -2.210 19.003 -26.344 1.00 0.00 C ATOM 88 CE1 PHE A 6 -1.347 21.460 -25.314 1.00 0.00 C ATOM 89 CE2 PHE A 6 -0.863 19.371 -26.446 1.00 0.00 C ATOM 90 CZ PHE A 6 -0.431 20.599 -25.931 1.00 0.00 C ATOM 91 H PHE A 6 -5.044 17.367 -23.420 1.00 0.00 H ATOM 92 HA PHE A 6 -4.545 20.197 -23.608 1.00 0.00 H ATOM 93 HB2 PHE A 6 -4.728 18.512 -26.099 1.00 0.00 H ATOM 94 HB3 PHE A 6 -5.192 20.214 -26.098 1.00 0.00 H ATOM 95 HD1 PHE A 6 -3.401 21.756 -24.735 1.00 0.00 H ATOM 96 HD2 PHE A 6 -2.543 18.055 -26.741 1.00 0.00 H ATOM 97 HE1 PHE A 6 -1.014 22.407 -24.916 1.00 0.00 H ATOM 98 HE2 PHE A 6 -0.156 18.707 -26.922 1.00 0.00 H ATOM 99 HZ PHE A 6 0.608 20.883 -26.010 1.00 0.00 H ATOM 100 N ILE A 7 -7.029 20.608 -23.868 1.00 0.00 N ATOM 101 CA ILE A 7 -8.472 20.774 -23.735 1.00 0.00 C ATOM 102 C ILE A 7 -8.972 20.116 -22.453 1.00 0.00 C ATOM 103 O ILE A 7 -9.981 20.531 -21.883 1.00 0.00 O ATOM 104 CB ILE A 7 -9.182 20.153 -24.939 1.00 0.00 C ATOM 105 CG1 ILE A 7 -8.507 20.627 -26.228 1.00 0.00 C ATOM 106 CG2 ILE A 7 -10.649 20.584 -24.945 1.00 0.00 C ATOM 107 CD1 ILE A 7 -9.320 20.155 -27.435 1.00 0.00 C ATOM 108 H ILE A 7 -6.450 21.398 -23.853 1.00 0.00 H ATOM 109 HA ILE A 7 -8.701 21.827 -23.701 1.00 0.00 H ATOM 110 HB ILE A 7 -9.124 19.075 -24.875 1.00 0.00 H ATOM 111 HG12 ILE A 7 -8.453 21.706 -26.230 1.00 0.00 H ATOM 112 HG13 ILE A 7 -7.510 20.216 -26.285 1.00 0.00 H ATOM 113 HG21 ILE A 7 -11.204 19.964 -25.633 1.00 0.00 H ATOM 114 HG22 ILE A 7 -10.719 21.617 -25.254 1.00 0.00 H ATOM 115 HG23 ILE A 7 -11.060 20.476 -23.952 1.00 0.00 H ATOM 116 HD11 ILE A 7 -10.201 20.771 -27.539 1.00 0.00 H ATOM 117 HD12 ILE A 7 -9.616 19.127 -27.288 1.00 0.00 H ATOM 118 HD13 ILE A 7 -8.718 20.233 -28.328 1.00 0.00 H ATOM 119 N MET A 8 -8.258 19.089 -22.003 1.00 0.00 N ATOM 120 CA MET A 8 -8.651 18.367 -20.800 1.00 0.00 C ATOM 121 C MET A 8 -7.471 18.239 -19.842 1.00 0.00 C ATOM 122 O MET A 8 -7.444 18.969 -18.865 1.00 0.00 O ATOM 123 CB MET A 8 -9.164 16.974 -21.169 1.00 0.00 C ATOM 124 CG MET A 8 -10.549 17.093 -21.810 1.00 0.00 C ATOM 125 SD MET A 8 -11.743 17.645 -20.567 1.00 0.00 S ATOM 126 CE MET A 8 -11.691 16.165 -19.529 1.00 0.00 C ATOM 127 H MET A 8 -7.453 18.812 -22.490 1.00 0.00 H ATOM 128 HA MET A 8 -9.444 18.911 -20.308 1.00 0.00 H ATOM 129 HB2 MET A 8 -8.481 16.514 -21.868 1.00 0.00 H ATOM 130 HB3 MET A 8 -9.233 16.367 -20.279 1.00 0.00 H ATOM 131 HG2 MET A 8 -10.511 17.809 -22.617 1.00 0.00 H ATOM 132 HG3 MET A 8 -10.850 16.131 -22.197 1.00 0.00 H ATOM 133 HE1 MET A 8 -10.978 16.311 -18.729 1.00 0.00 H ATOM 134 HE2 MET A 8 -11.392 15.316 -20.124 1.00 0.00 H ATOM 135 HE3 MET A 8 -12.673 15.982 -19.114 1.00 0.00 H TER 136 MET A 8 ENDMDL MODEL 9 ATOM 1 N TYR A 1 -9.680 8.956 -19.714 1.00 0.00 N ATOM 2 CA TYR A 1 -8.848 9.178 -18.497 1.00 0.00 C ATOM 3 C TYR A 1 -8.382 10.630 -18.463 1.00 0.00 C ATOM 4 O TYR A 1 -8.269 11.231 -17.394 1.00 0.00 O ATOM 5 CB TYR A 1 -7.638 8.243 -18.531 1.00 0.00 C ATOM 6 CG TYR A 1 -6.845 8.489 -19.793 1.00 0.00 C ATOM 7 CD1 TYR A 1 -7.141 7.769 -20.956 1.00 0.00 C ATOM 8 CD2 TYR A 1 -5.815 9.437 -19.798 1.00 0.00 C ATOM 9 CE1 TYR A 1 -6.406 7.998 -22.126 1.00 0.00 C ATOM 10 CE2 TYR A 1 -5.080 9.665 -20.967 1.00 0.00 C ATOM 11 CZ TYR A 1 -5.376 8.946 -22.131 1.00 0.00 C ATOM 12 OH TYR A 1 -4.651 9.170 -23.284 1.00 0.00 O ATOM 13 H1 TYR A 1 -9.472 9.693 -20.416 1.00 0.00 H ATOM 14 H2 TYR A 1 -10.686 8.994 -19.456 1.00 0.00 H ATOM 15 H3 TYR A 1 -9.460 8.023 -20.118 1.00 0.00 H ATOM 16 HA TYR A 1 -9.438 8.970 -17.618 1.00 0.00 H ATOM 17 HB2 TYR A 1 -7.013 8.431 -17.670 1.00 0.00 H ATOM 18 HB3 TYR A 1 -7.975 7.217 -18.514 1.00 0.00 H ATOM 19 HD1 TYR A 1 -7.935 7.038 -20.952 1.00 0.00 H ATOM 20 HD2 TYR A 1 -5.588 9.993 -18.900 1.00 0.00 H ATOM 21 HE1 TYR A 1 -6.633 7.442 -23.023 1.00 0.00 H ATOM 22 HE2 TYR A 1 -4.286 10.397 -20.972 1.00 0.00 H ATOM 23 HH TYR A 1 -4.421 10.102 -23.313 1.00 0.00 H ATOM 24 N SER A 2 -8.113 11.189 -19.638 1.00 0.00 N ATOM 25 CA SER A 2 -7.660 12.572 -19.730 1.00 0.00 C ATOM 26 C SER A 2 -6.675 12.888 -18.608 1.00 0.00 C ATOM 27 O SER A 2 -7.076 13.212 -17.490 1.00 0.00 O ATOM 28 CB SER A 2 -8.855 13.521 -19.644 1.00 0.00 C ATOM 29 OG SER A 2 -9.065 14.127 -20.911 1.00 0.00 O ATOM 30 H SER A 2 -8.222 10.663 -20.457 1.00 0.00 H ATOM 31 HA SER A 2 -7.168 12.717 -20.680 1.00 0.00 H ATOM 32 HB2 SER A 2 -9.737 12.967 -19.365 1.00 0.00 H ATOM 33 HB3 SER A 2 -8.658 14.279 -18.898 1.00 0.00 H ATOM 34 HG SER A 2 -9.413 13.460 -21.506 1.00 0.00 H ATOM 35 N THR A 3 -5.386 12.792 -18.915 1.00 0.00 N ATOM 36 CA THR A 3 -4.352 13.063 -17.923 1.00 0.00 C ATOM 37 C THR A 3 -4.450 14.501 -17.425 1.00 0.00 C ATOM 38 O THR A 3 -4.357 14.761 -16.225 1.00 0.00 O ATOM 39 CB THR A 3 -2.968 12.825 -18.531 1.00 0.00 C ATOM 40 OG1 THR A 3 -2.911 11.514 -19.075 1.00 0.00 O ATOM 41 CG2 THR A 3 -1.899 12.978 -17.449 1.00 0.00 C ATOM 42 H THR A 3 -5.125 12.535 -19.824 1.00 0.00 H ATOM 43 HA THR A 3 -4.485 12.393 -17.087 1.00 0.00 H ATOM 44 HB THR A 3 -2.788 13.548 -19.313 1.00 0.00 H ATOM 45 HG1 THR A 3 -3.064 10.890 -18.362 1.00 0.00 H ATOM 46 HG21 THR A 3 -0.926 12.776 -17.871 1.00 0.00 H ATOM 47 HG22 THR A 3 -2.095 12.280 -16.648 1.00 0.00 H ATOM 48 HG23 THR A 3 -1.921 13.986 -17.061 1.00 0.00 H ATOM 49 N CYS A 4 -4.642 15.432 -18.354 1.00 0.00 N ATOM 50 CA CYS A 4 -4.748 15.079 -19.765 1.00 0.00 C ATOM 51 C CYS A 4 -3.560 15.590 -20.578 1.00 0.00 C ATOM 52 O CYS A 4 -2.439 15.733 -20.088 1.00 0.00 O ATOM 53 CB CYS A 4 -6.038 15.656 -20.352 1.00 0.00 C ATOM 54 SG CYS A 4 -5.813 17.422 -20.680 1.00 0.00 S ATOM 55 H CYS A 4 -4.713 16.372 -18.086 1.00 0.00 H ATOM 56 HA CYS A 4 -4.775 14.003 -19.855 1.00 0.00 H ATOM 57 HB2 CYS A 4 -6.272 15.146 -21.275 1.00 0.00 H ATOM 58 HB3 CYS A 4 -6.846 15.520 -19.649 1.00 0.00 H ATOM 59 N TYR A 5 -3.826 15.836 -21.857 1.00 0.00 N ATOM 60 CA TYR A 5 -2.787 16.297 -22.769 1.00 0.00 C ATOM 61 C TYR A 5 -3.226 17.573 -23.481 1.00 0.00 C ATOM 62 O TYR A 5 -2.403 18.427 -23.809 1.00 0.00 O ATOM 63 CB TYR A 5 -2.480 15.212 -23.804 1.00 0.00 C ATOM 64 CG TYR A 5 -3.675 14.301 -23.946 1.00 0.00 C ATOM 65 CD1 TYR A 5 -4.036 13.450 -22.895 1.00 0.00 C ATOM 66 CD2 TYR A 5 -4.423 14.308 -25.131 1.00 0.00 C ATOM 67 CE1 TYR A 5 -5.144 12.605 -23.029 1.00 0.00 C ATOM 68 CE2 TYR A 5 -5.531 13.463 -25.264 1.00 0.00 C ATOM 69 CZ TYR A 5 -5.892 12.612 -24.213 1.00 0.00 C ATOM 70 OH TYR A 5 -6.984 11.779 -24.344 1.00 0.00 O ATOM 71 H TYR A 5 -4.738 15.705 -22.192 1.00 0.00 H ATOM 72 HA TYR A 5 -1.890 16.503 -22.204 1.00 0.00 H ATOM 73 HB2 TYR A 5 -2.263 15.675 -24.755 1.00 0.00 H ATOM 74 HB3 TYR A 5 -1.627 14.637 -23.478 1.00 0.00 H ATOM 75 HD1 TYR A 5 -3.460 13.445 -21.982 1.00 0.00 H ATOM 76 HD2 TYR A 5 -4.144 14.965 -25.942 1.00 0.00 H ATOM 77 HE1 TYR A 5 -5.424 11.948 -22.218 1.00 0.00 H ATOM 78 HE2 TYR A 5 -6.107 13.468 -26.177 1.00 0.00 H ATOM 79 HH TYR A 5 -6.785 10.954 -23.894 1.00 0.00 H ATOM 80 N PHE A 6 -4.528 17.693 -23.718 1.00 0.00 N ATOM 81 CA PHE A 6 -5.068 18.875 -24.382 1.00 0.00 C ATOM 82 C PHE A 6 -6.573 18.976 -24.157 1.00 0.00 C ATOM 83 O PHE A 6 -7.266 17.962 -24.066 1.00 0.00 O ATOM 84 CB PHE A 6 -4.776 18.809 -25.881 1.00 0.00 C ATOM 85 CG PHE A 6 -3.330 19.161 -26.131 1.00 0.00 C ATOM 86 CD1 PHE A 6 -2.852 20.434 -25.799 1.00 0.00 C ATOM 87 CD2 PHE A 6 -2.466 18.214 -26.693 1.00 0.00 C ATOM 88 CE1 PHE A 6 -1.510 20.761 -26.030 1.00 0.00 C ATOM 89 CE2 PHE A 6 -1.124 18.539 -26.923 1.00 0.00 C ATOM 90 CZ PHE A 6 -0.646 19.813 -26.592 1.00 0.00 C ATOM 91 H PHE A 6 -5.136 16.977 -23.442 1.00 0.00 H ATOM 92 HA PHE A 6 -4.593 19.754 -23.973 1.00 0.00 H ATOM 93 HB2 PHE A 6 -4.973 17.810 -26.243 1.00 0.00 H ATOM 94 HB3 PHE A 6 -5.411 19.511 -26.403 1.00 0.00 H ATOM 95 HD1 PHE A 6 -3.518 21.165 -25.364 1.00 0.00 H ATOM 96 HD2 PHE A 6 -2.835 17.231 -26.949 1.00 0.00 H ATOM 97 HE1 PHE A 6 -1.141 21.742 -25.774 1.00 0.00 H ATOM 98 HE2 PHE A 6 -0.458 17.809 -27.358 1.00 0.00 H ATOM 99 HZ PHE A 6 0.390 20.065 -26.769 1.00 0.00 H ATOM 100 N ILE A 7 -7.071 20.204 -24.067 1.00 0.00 N ATOM 101 CA ILE A 7 -8.497 20.425 -23.849 1.00 0.00 C ATOM 102 C ILE A 7 -8.921 19.882 -22.488 1.00 0.00 C ATOM 103 O ILE A 7 -9.884 20.362 -21.890 1.00 0.00 O ATOM 104 CB ILE A 7 -9.307 19.738 -24.949 1.00 0.00 C ATOM 105 CG1 ILE A 7 -8.708 20.087 -26.315 1.00 0.00 C ATOM 106 CG2 ILE A 7 -10.757 20.218 -24.892 1.00 0.00 C ATOM 107 CD1 ILE A 7 -9.626 19.566 -27.422 1.00 0.00 C ATOM 108 H ILE A 7 -6.472 20.975 -24.149 1.00 0.00 H ATOM 109 HA ILE A 7 -8.696 21.486 -23.881 1.00 0.00 H ATOM 110 HB ILE A 7 -9.275 18.668 -24.803 1.00 0.00 H ATOM 111 HG12 ILE A 7 -8.611 21.160 -26.401 1.00 0.00 H ATOM 112 HG13 ILE A 7 -7.736 19.628 -26.410 1.00 0.00 H ATOM 113 HG21 ILE A 7 -11.101 20.206 -23.868 1.00 0.00 H ATOM 114 HG22 ILE A 7 -11.377 19.563 -25.487 1.00 0.00 H ATOM 115 HG23 ILE A 7 -10.819 21.224 -25.280 1.00 0.00 H ATOM 116 HD11 ILE A 7 -10.495 20.201 -27.498 1.00 0.00 H ATOM 117 HD12 ILE A 7 -9.936 18.559 -27.189 1.00 0.00 H ATOM 118 HD13 ILE A 7 -9.094 19.571 -28.362 1.00 0.00 H ATOM 119 N MET A 8 -8.196 18.879 -22.005 1.00 0.00 N ATOM 120 CA MET A 8 -8.513 18.269 -20.719 1.00 0.00 C ATOM 121 C MET A 8 -7.259 18.139 -19.861 1.00 0.00 C ATOM 122 O MET A 8 -7.124 18.908 -18.924 1.00 0.00 O ATOM 123 CB MET A 8 -9.131 16.886 -20.935 1.00 0.00 C ATOM 124 CG MET A 8 -10.510 17.037 -21.580 1.00 0.00 C ATOM 125 SD MET A 8 -11.287 15.409 -21.732 1.00 0.00 S ATOM 126 CE MET A 8 -12.768 15.948 -22.623 1.00 0.00 C ATOM 127 H MET A 8 -7.433 18.543 -22.521 1.00 0.00 H ATOM 128 HA MET A 8 -9.228 18.892 -20.203 1.00 0.00 H ATOM 129 HB2 MET A 8 -8.492 16.303 -21.583 1.00 0.00 H ATOM 130 HB3 MET A 8 -9.233 16.384 -19.985 1.00 0.00 H ATOM 131 HG2 MET A 8 -11.127 17.676 -20.965 1.00 0.00 H ATOM 132 HG3 MET A 8 -10.403 17.478 -22.561 1.00 0.00 H ATOM 133 HE1 MET A 8 -12.481 16.360 -23.579 1.00 0.00 H ATOM 134 HE2 MET A 8 -13.281 16.701 -22.048 1.00 0.00 H ATOM 135 HE3 MET A 8 -13.425 15.101 -22.771 1.00 0.00 H TER 136 MET A 8 ENDMDL MODEL 10 ATOM 1 N TYR A 1 -11.103 9.163 -20.887 1.00 0.00 N ATOM 2 CA TYR A 1 -9.672 9.252 -20.483 1.00 0.00 C ATOM 3 C TYR A 1 -9.176 10.680 -20.685 1.00 0.00 C ATOM 4 O TYR A 1 -9.623 11.379 -21.595 1.00 0.00 O ATOM 5 CB TYR A 1 -8.843 8.286 -21.334 1.00 0.00 C ATOM 6 CG TYR A 1 -7.404 8.325 -20.883 1.00 0.00 C ATOM 7 CD1 TYR A 1 -6.550 9.331 -21.353 1.00 0.00 C ATOM 8 CD2 TYR A 1 -6.921 7.356 -19.996 1.00 0.00 C ATOM 9 CE1 TYR A 1 -5.215 9.367 -20.935 1.00 0.00 C ATOM 10 CE2 TYR A 1 -5.585 7.392 -19.577 1.00 0.00 C ATOM 11 CZ TYR A 1 -4.732 8.398 -20.047 1.00 0.00 C ATOM 12 OH TYR A 1 -3.416 8.433 -19.635 1.00 0.00 O ATOM 13 H1 TYR A 1 -11.705 9.199 -20.039 1.00 0.00 H ATOM 14 H2 TYR A 1 -11.265 8.267 -21.391 1.00 0.00 H ATOM 15 H3 TYR A 1 -11.339 9.961 -21.510 1.00 0.00 H ATOM 16 HA TYR A 1 -9.576 8.984 -19.441 1.00 0.00 H ATOM 17 HB2 TYR A 1 -9.230 7.284 -21.220 1.00 0.00 H ATOM 18 HB3 TYR A 1 -8.904 8.579 -22.371 1.00 0.00 H ATOM 19 HD1 TYR A 1 -6.922 10.079 -22.037 1.00 0.00 H ATOM 20 HD2 TYR A 1 -7.579 6.580 -19.634 1.00 0.00 H ATOM 21 HE1 TYR A 1 -4.556 10.143 -21.296 1.00 0.00 H ATOM 22 HE2 TYR A 1 -5.213 6.644 -18.894 1.00 0.00 H ATOM 23 HH TYR A 1 -3.384 8.872 -18.782 1.00 0.00 H ATOM 24 N SER A 2 -8.251 11.107 -19.833 1.00 0.00 N ATOM 25 CA SER A 2 -7.699 12.453 -19.929 1.00 0.00 C ATOM 26 C SER A 2 -6.626 12.670 -18.868 1.00 0.00 C ATOM 27 O SER A 2 -6.927 12.775 -17.679 1.00 0.00 O ATOM 28 CB SER A 2 -8.813 13.486 -19.751 1.00 0.00 C ATOM 29 OG SER A 2 -9.023 14.166 -20.982 1.00 0.00 O ATOM 30 H SER A 2 -7.933 10.505 -19.127 1.00 0.00 H ATOM 31 HA SER A 2 -7.258 12.582 -20.906 1.00 0.00 H ATOM 32 HB2 SER A 2 -9.722 12.991 -19.459 1.00 0.00 H ATOM 33 HB3 SER A 2 -8.526 14.192 -18.982 1.00 0.00 H ATOM 34 HG SER A 2 -9.526 13.585 -21.559 1.00 0.00 H ATOM 35 N THR A 3 -5.373 12.737 -19.305 1.00 0.00 N ATOM 36 CA THR A 3 -4.261 12.935 -18.382 1.00 0.00 C ATOM 37 C THR A 3 -4.421 14.249 -17.625 1.00 0.00 C ATOM 38 O THR A 3 -4.262 14.297 -16.405 1.00 0.00 O ATOM 39 CB THR A 3 -2.939 12.945 -19.152 1.00 0.00 C ATOM 40 OG1 THR A 3 -2.619 11.621 -19.557 1.00 0.00 O ATOM 41 CG2 THR A 3 -1.827 13.489 -18.254 1.00 0.00 C ATOM 42 H THR A 3 -5.193 12.652 -20.265 1.00 0.00 H ATOM 43 HA THR A 3 -4.245 12.121 -17.673 1.00 0.00 H ATOM 44 HB THR A 3 -3.033 13.575 -20.023 1.00 0.00 H ATOM 45 HG1 THR A 3 -2.938 11.019 -18.881 1.00 0.00 H ATOM 46 HG21 THR A 3 -1.905 14.565 -18.196 1.00 0.00 H ATOM 47 HG22 THR A 3 -0.866 13.219 -18.667 1.00 0.00 H ATOM 48 HG23 THR A 3 -1.925 13.067 -17.265 1.00 0.00 H ATOM 49 N CYS A 4 -4.738 15.313 -18.356 1.00 0.00 N ATOM 50 CA CYS A 4 -4.912 15.210 -19.800 1.00 0.00 C ATOM 51 C CYS A 4 -3.699 15.846 -20.517 1.00 0.00 C ATOM 52 O CYS A 4 -2.630 15.993 -19.923 1.00 0.00 O ATOM 53 CB CYS A 4 -6.209 15.905 -20.219 1.00 0.00 C ATOM 54 SG CYS A 4 -6.765 17.000 -18.890 1.00 0.00 S ATOM 55 H CYS A 4 -4.856 16.181 -17.917 1.00 0.00 H ATOM 56 HA CYS A 4 -4.971 14.168 -20.073 1.00 0.00 H ATOM 57 HB2 CYS A 4 -6.035 16.485 -21.114 1.00 0.00 H ATOM 58 HB3 CYS A 4 -6.968 15.161 -20.415 1.00 0.00 H ATOM 59 N TYR A 5 -3.875 16.193 -21.787 1.00 0.00 N ATOM 60 CA TYR A 5 -2.790 16.779 -22.566 1.00 0.00 C ATOM 61 C TYR A 5 -3.331 17.824 -23.537 1.00 0.00 C ATOM 62 O TYR A 5 -2.566 18.528 -24.196 1.00 0.00 O ATOM 63 CB TYR A 5 -2.058 15.685 -23.347 1.00 0.00 C ATOM 64 CG TYR A 5 -2.893 14.428 -23.355 1.00 0.00 C ATOM 65 CD1 TYR A 5 -4.175 14.442 -23.920 1.00 0.00 C ATOM 66 CD2 TYR A 5 -2.387 13.247 -22.800 1.00 0.00 C ATOM 67 CE1 TYR A 5 -4.949 13.276 -23.927 1.00 0.00 C ATOM 68 CE2 TYR A 5 -3.161 12.081 -22.807 1.00 0.00 C ATOM 69 CZ TYR A 5 -4.443 12.096 -23.372 1.00 0.00 C ATOM 70 OH TYR A 5 -5.206 10.946 -23.379 1.00 0.00 O ATOM 71 H TYR A 5 -4.749 16.054 -22.208 1.00 0.00 H ATOM 72 HA TYR A 5 -2.092 17.253 -21.894 1.00 0.00 H ATOM 73 HB2 TYR A 5 -1.895 16.017 -24.362 1.00 0.00 H ATOM 74 HB3 TYR A 5 -1.108 15.482 -22.876 1.00 0.00 H ATOM 75 HD1 TYR A 5 -4.566 15.353 -24.349 1.00 0.00 H ATOM 76 HD2 TYR A 5 -1.398 13.236 -22.364 1.00 0.00 H ATOM 77 HE1 TYR A 5 -5.939 13.287 -24.362 1.00 0.00 H ATOM 78 HE2 TYR A 5 -2.770 11.170 -22.378 1.00 0.00 H ATOM 79 HH TYR A 5 -5.751 10.957 -24.169 1.00 0.00 H ATOM 80 N PHE A 6 -4.654 17.921 -23.618 1.00 0.00 N ATOM 81 CA PHE A 6 -5.286 18.894 -24.501 1.00 0.00 C ATOM 82 C PHE A 6 -6.760 19.062 -24.145 1.00 0.00 C ATOM 83 O PHE A 6 -7.466 18.083 -23.904 1.00 0.00 O ATOM 84 CB PHE A 6 -5.160 18.439 -25.956 1.00 0.00 C ATOM 85 CG PHE A 6 -3.797 18.816 -26.485 1.00 0.00 C ATOM 86 CD1 PHE A 6 -3.431 20.164 -26.578 1.00 0.00 C ATOM 87 CD2 PHE A 6 -2.899 17.818 -26.884 1.00 0.00 C ATOM 88 CE1 PHE A 6 -2.168 20.514 -27.069 1.00 0.00 C ATOM 89 CE2 PHE A 6 -1.636 18.168 -27.374 1.00 0.00 C ATOM 90 CZ PHE A 6 -1.270 19.516 -27.468 1.00 0.00 C ATOM 91 H PHE A 6 -5.214 17.327 -23.075 1.00 0.00 H ATOM 92 HA PHE A 6 -4.788 19.845 -24.389 1.00 0.00 H ATOM 93 HB2 PHE A 6 -5.283 17.367 -26.010 1.00 0.00 H ATOM 94 HB3 PHE A 6 -5.922 18.919 -26.551 1.00 0.00 H ATOM 95 HD1 PHE A 6 -4.123 20.934 -26.271 1.00 0.00 H ATOM 96 HD2 PHE A 6 -3.182 16.778 -26.812 1.00 0.00 H ATOM 97 HE1 PHE A 6 -1.885 21.554 -27.141 1.00 0.00 H ATOM 98 HE2 PHE A 6 -0.944 17.398 -27.682 1.00 0.00 H ATOM 99 HZ PHE A 6 -0.295 19.786 -27.846 1.00 0.00 H ATOM 100 N ILE A 7 -7.217 20.310 -24.114 1.00 0.00 N ATOM 101 CA ILE A 7 -8.606 20.596 -23.776 1.00 0.00 C ATOM 102 C ILE A 7 -8.900 20.200 -22.333 1.00 0.00 C ATOM 103 O ILE A 7 -9.811 20.738 -21.704 1.00 0.00 O ATOM 104 CB ILE A 7 -9.540 19.832 -24.717 1.00 0.00 C ATOM 105 CG1 ILE A 7 -9.078 20.030 -26.163 1.00 0.00 C ATOM 106 CG2 ILE A 7 -10.966 20.361 -24.562 1.00 0.00 C ATOM 107 CD1 ILE A 7 -10.129 19.461 -27.117 1.00 0.00 C ATOM 108 H ILE A 7 -6.609 21.051 -24.322 1.00 0.00 H ATOM 109 HA ILE A 7 -8.785 21.654 -23.892 1.00 0.00 H ATOM 110 HB ILE A 7 -9.517 18.780 -24.471 1.00 0.00 H ATOM 111 HG12 ILE A 7 -8.946 21.084 -26.358 1.00 0.00 H ATOM 112 HG13 ILE A 7 -8.141 19.515 -26.315 1.00 0.00 H ATOM 113 HG21 ILE A 7 -11.659 19.672 -25.023 1.00 0.00 H ATOM 114 HG22 ILE A 7 -11.047 21.326 -25.042 1.00 0.00 H ATOM 115 HG23 ILE A 7 -11.202 20.460 -23.514 1.00 0.00 H ATOM 116 HD11 ILE A 7 -10.455 18.495 -26.760 1.00 0.00 H ATOM 117 HD12 ILE A 7 -9.701 19.354 -28.103 1.00 0.00 H ATOM 118 HD13 ILE A 7 -10.975 20.131 -27.163 1.00 0.00 H ATOM 119 N MET A 8 -8.123 19.255 -21.814 1.00 0.00 N ATOM 120 CA MET A 8 -8.312 18.790 -20.445 1.00 0.00 C ATOM 121 C MET A 8 -6.966 18.573 -19.762 1.00 0.00 C ATOM 122 O MET A 8 -5.996 19.165 -20.207 1.00 0.00 O ATOM 123 CB MET A 8 -9.104 17.480 -20.442 1.00 0.00 C ATOM 124 CG MET A 8 -10.471 17.708 -21.091 1.00 0.00 C ATOM 125 SD MET A 8 -11.470 16.208 -20.935 1.00 0.00 S ATOM 126 CE MET A 8 -11.961 16.440 -19.208 1.00 0.00 C ATOM 127 H MET A 8 -7.410 18.863 -22.362 1.00 0.00 H ATOM 128 HA MET A 8 -8.868 19.534 -19.896 1.00 0.00 H ATOM 129 HB2 MET A 8 -8.560 16.730 -21.000 1.00 0.00 H ATOM 130 HB3 MET A 8 -9.241 17.145 -19.426 1.00 0.00 H ATOM 131 HG2 MET A 8 -10.971 18.528 -20.597 1.00 0.00 H ATOM 132 HG3 MET A 8 -10.338 17.946 -22.136 1.00 0.00 H ATOM 133 HE1 MET A 8 -11.132 16.184 -18.562 1.00 0.00 H ATOM 134 HE2 MET A 8 -12.801 15.803 -18.983 1.00 0.00 H ATOM 135 HE3 MET A 8 -12.241 17.473 -19.051 1.00 0.00 H TER 136 MET A 8 ENDMDL CONECT 54 121 CONECT 121 54 MASTER 124 0 0 0 0 0 0 6 70 1 2 1 END