HEADER UNKNOWN FUNCTION 31-JUL-13 SMS21035 TITLE STRUCTURE OF AIP-III COMPND MOL_ID: 1; COMPND 2 MOLECULE: AIP-III; 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 13-SEP-13. REMARK 100 THE BMRB ID CODE IS SMS21035. 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-III, 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: NULL REMARK 215 REMARK 215 NMR STUDY REMARK 215 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM SOLUTION REMARK 215 NMR DATA. PROTEIN DATA BANK CONVENTIONS REQUIRE THAT REMARK 215 CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES ON REMARK 215 THESE RECORDS ARE MEANINGLESS. REMARK 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 PHE A 5 12.53 -176.13 REMARK 500 1 LEU A 6 -16.48 79.25 REMARK 500 2 PHE A 5 23.22 -179.64 REMARK 500 3 CYS A 3 88.89 -157.71 REMARK 500 3 ASP A 4 -2.45 64.54 REMARK 500 3 PHE A 5 17.10 -179.78 REMARK 500 3 LEU A 6 2.20 59.30 REMARK 500 4 ASP A 4 -3.64 64.90 REMARK 500 4 PHE A 5 14.39 -178.72 REMARK 500 4 LEU A 6 -4.78 65.23 REMARK 500 5 CYS A 3 89.53 -156.34 REMARK 500 5 ASP A 4 -3.40 65.28 REMARK 500 5 PHE A 5 14.32 -179.37 REMARK 500 5 LEU A 6 -1.95 63.64 REMARK 500 6 PHE A 5 23.87 -179.74 REMARK 500 7 PHE A 5 13.16 -176.35 REMARK 500 7 LEU A 6 -18.06 79.35 REMARK 500 8 PHE A 5 16.57 -176.87 REMARK 500 8 LEU A 6 -8.82 70.66 REMARK 500 9 PHE A 5 10.99 -176.14 REMARK 500 9 LEU A 6 -27.58 84.97 REMARK 500 10 ASP A 4 -5.65 62.54 REMARK 500 10 PHE A 5 32.09 -179.63 REMARK 500 10 LEU A 6 -15.58 60.66 REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: SMS21035 RELATED DB: BMRB DBREF A 1 7 BMRB SMS21035 SMS21035 1 7 SEQRES 1 A 7 ILE ASN CYS ASP PHE LEU LEU LINK SG CYS A 3 C LEU A 7 1555 1555 1.81 CISPEP 1 CYS A 3 ASP A 4 1 0.28 CISPEP 2 CYS A 3 ASP A 4 2 0.60 CISPEP 3 CYS A 3 ASP A 4 3 -0.03 CISPEP 4 CYS A 3 ASP A 4 4 -0.04 CISPEP 5 CYS A 3 ASP A 4 5 -0.14 CISPEP 6 CYS A 3 ASP A 4 6 0.43 CISPEP 7 CYS A 3 ASP A 4 7 0.49 CISPEP 8 CYS A 3 ASP A 4 8 0.47 CISPEP 9 CYS A 3 ASP A 4 9 0.57 CISPEP 10 CYS A 3 ASP A 4 10 0.01 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 ILE A 1 -1.692 22.090 -2.818 1.00 0.00 N ATOM 2 CA ILE A 1 -0.984 21.190 -3.773 1.00 0.00 C ATOM 3 C ILE A 1 -2.009 20.425 -4.603 1.00 0.00 C ATOM 4 O ILE A 1 -3.155 20.254 -4.188 1.00 0.00 O ATOM 5 CB ILE A 1 -0.109 20.209 -2.990 1.00 0.00 C ATOM 6 CG1 ILE A 1 0.517 19.202 -3.958 1.00 0.00 C ATOM 7 CG2 ILE A 1 -0.965 19.465 -1.964 1.00 0.00 C ATOM 8 CD1 ILE A 1 1.608 18.409 -3.235 1.00 0.00 C ATOM 9 H1 ILE A 1 -2.655 21.733 -2.655 1.00 0.00 H ATOM 10 H2 ILE A 1 -1.740 23.049 -3.218 1.00 0.00 H ATOM 11 H3 ILE A 1 -1.177 22.113 -1.916 1.00 0.00 H ATOM 12 HA ILE A 1 -0.362 21.782 -4.428 1.00 0.00 H ATOM 13 HB ILE A 1 0.673 20.754 -2.480 1.00 0.00 H ATOM 14 HG12 ILE A 1 -0.247 18.524 -4.314 1.00 0.00 H ATOM 15 HG13 ILE A 1 0.951 19.727 -4.795 1.00 0.00 H ATOM 16 HG21 ILE A 1 -1.643 18.799 -2.477 1.00 0.00 H ATOM 17 HG22 ILE A 1 -1.533 20.178 -1.385 1.00 0.00 H ATOM 18 HG23 ILE A 1 -0.326 18.895 -1.308 1.00 0.00 H ATOM 19 HD11 ILE A 1 2.504 19.008 -3.170 1.00 0.00 H ATOM 20 HD12 ILE A 1 1.818 17.504 -3.785 1.00 0.00 H ATOM 21 HD13 ILE A 1 1.270 18.156 -2.241 1.00 0.00 H ATOM 22 N ASN A 2 -1.588 19.967 -5.777 1.00 0.00 N ATOM 23 CA ASN A 2 -2.477 19.215 -6.655 1.00 0.00 C ATOM 24 C ASN A 2 -1.690 18.188 -7.464 1.00 0.00 C ATOM 25 O ASN A 2 -0.679 18.515 -8.084 1.00 0.00 O ATOM 26 CB ASN A 2 -3.200 20.170 -7.607 1.00 0.00 C ATOM 27 CG ASN A 2 -3.974 21.214 -6.810 1.00 0.00 C ATOM 28 OD1 ASN A 2 -4.683 20.873 -5.863 1.00 0.00 O ATOM 29 ND2 ASN A 2 -3.879 22.474 -7.138 1.00 0.00 N ATOM 30 H ASN A 2 -0.665 20.137 -6.058 1.00 0.00 H ATOM 31 HA ASN A 2 -3.210 18.700 -6.054 1.00 0.00 H ATOM 32 HB2 ASN A 2 -2.475 20.664 -8.238 1.00 0.00 H ATOM 33 HB3 ASN A 2 -3.888 19.609 -8.223 1.00 0.00 H ATOM 34 HD21 ASN A 2 -3.315 22.742 -7.893 1.00 0.00 H ATOM 35 HD22 ASN A 2 -4.373 23.150 -6.630 1.00 0.00 H ATOM 36 N CYS A 3 -2.160 16.945 -7.449 1.00 0.00 N ATOM 37 CA CYS A 3 -1.498 15.880 -8.194 1.00 0.00 C ATOM 38 C CYS A 3 -2.585 15.060 -8.922 1.00 0.00 C ATOM 39 O CYS A 3 -3.294 14.398 -8.164 1.00 0.00 O ATOM 40 CB CYS A 3 -0.725 14.974 -7.234 1.00 0.00 C ATOM 41 SG CYS A 3 -1.859 14.295 -5.999 1.00 0.00 S ATOM 42 H CYS A 3 -2.965 16.740 -6.930 1.00 0.00 H ATOM 43 HA CYS A 3 -0.803 16.321 -8.893 1.00 0.00 H ATOM 44 HB2 CYS A 3 -0.270 14.166 -7.789 1.00 0.00 H ATOM 45 HB3 CYS A 3 0.046 15.548 -6.740 1.00 0.00 H ATOM 46 N ASP A 4 -2.749 15.073 -10.241 1.00 0.00 N ATOM 47 CA ASP A 4 -1.888 15.877 -11.100 1.00 0.00 C ATOM 48 C ASP A 4 -0.433 15.436 -10.961 1.00 0.00 C ATOM 49 O ASP A 4 0.465 16.033 -11.554 1.00 0.00 O ATOM 50 CB ASP A 4 -2.013 17.356 -10.731 1.00 0.00 C ATOM 51 CG ASP A 4 -2.699 18.118 -11.859 1.00 0.00 C ATOM 52 OD1 ASP A 4 -2.334 17.901 -13.002 1.00 0.00 O ATOM 53 OD2 ASP A 4 -3.581 18.907 -11.563 1.00 0.00 O ATOM 54 H ASP A 4 -3.463 14.536 -10.642 1.00 0.00 H ATOM 55 HA ASP A 4 -2.196 15.746 -12.127 1.00 0.00 H ATOM 56 HB2 ASP A 4 -2.596 17.451 -9.827 1.00 0.00 H ATOM 57 HB3 ASP A 4 -1.028 17.770 -10.568 1.00 0.00 H ATOM 58 N PHE A 5 -0.209 14.391 -10.173 1.00 0.00 N ATOM 59 CA PHE A 5 1.139 13.870 -9.974 1.00 0.00 C ATOM 60 C PHE A 5 1.107 12.616 -9.105 1.00 0.00 C ATOM 61 O PHE A 5 2.142 12.152 -8.630 1.00 0.00 O ATOM 62 CB PHE A 5 2.015 14.932 -9.307 1.00 0.00 C ATOM 63 CG PHE A 5 3.465 14.521 -9.404 1.00 0.00 C ATOM 64 CD1 PHE A 5 4.189 14.781 -10.574 1.00 0.00 C ATOM 65 CD2 PHE A 5 4.084 13.881 -8.325 1.00 0.00 C ATOM 66 CE1 PHE A 5 5.534 14.400 -10.665 1.00 0.00 C ATOM 67 CE2 PHE A 5 5.429 13.500 -8.416 1.00 0.00 C ATOM 68 CZ PHE A 5 6.153 13.760 -9.584 1.00 0.00 C ATOM 69 H PHE A 5 -0.963 13.961 -9.717 1.00 0.00 H ATOM 70 HA PHE A 5 1.563 13.621 -10.935 1.00 0.00 H ATOM 71 HB2 PHE A 5 1.875 15.880 -9.807 1.00 0.00 H ATOM 72 HB3 PHE A 5 1.738 15.028 -8.269 1.00 0.00 H ATOM 73 HD1 PHE A 5 3.711 15.275 -11.408 1.00 0.00 H ATOM 74 HD2 PHE A 5 3.526 13.681 -7.423 1.00 0.00 H ATOM 75 HE1 PHE A 5 6.092 14.601 -11.567 1.00 0.00 H ATOM 76 HE2 PHE A 5 5.907 13.007 -7.582 1.00 0.00 H ATOM 77 HZ PHE A 5 7.190 13.466 -9.654 1.00 0.00 H ATOM 78 N LEU A 6 -0.090 12.073 -8.904 1.00 0.00 N ATOM 79 CA LEU A 6 -0.246 10.878 -8.081 1.00 0.00 C ATOM 80 C LEU A 6 -0.215 11.240 -6.600 1.00 0.00 C ATOM 81 O LEU A 6 -0.622 10.449 -5.749 1.00 0.00 O ATOM 82 CB LEU A 6 0.874 9.882 -8.388 1.00 0.00 C ATOM 83 CG LEU A 6 0.311 8.461 -8.371 1.00 0.00 C ATOM 84 CD1 LEU A 6 1.378 7.483 -8.868 1.00 0.00 C ATOM 85 CD2 LEU A 6 -0.090 8.090 -6.941 1.00 0.00 C ATOM 86 H LEU A 6 -0.880 12.481 -9.314 1.00 0.00 H ATOM 87 HA LEU A 6 -1.195 10.417 -8.310 1.00 0.00 H ATOM 88 HB2 LEU A 6 1.287 10.095 -9.365 1.00 0.00 H ATOM 89 HB3 LEU A 6 1.649 9.970 -7.643 1.00 0.00 H ATOM 90 HG LEU A 6 -0.553 8.407 -9.016 1.00 0.00 H ATOM 91 HD11 LEU A 6 1.014 6.471 -8.766 1.00 0.00 H ATOM 92 HD12 LEU A 6 2.278 7.602 -8.282 1.00 0.00 H ATOM 93 HD13 LEU A 6 1.595 7.684 -9.906 1.00 0.00 H ATOM 94 HD21 LEU A 6 -1.085 8.460 -6.740 1.00 0.00 H ATOM 95 HD22 LEU A 6 0.605 8.533 -6.245 1.00 0.00 H ATOM 96 HD23 LEU A 6 -0.077 7.016 -6.830 1.00 0.00 H ATOM 97 N LEU A 7 0.272 12.440 -6.299 1.00 0.00 N ATOM 98 CA LEU A 7 0.351 12.896 -4.916 1.00 0.00 C ATOM 99 C LEU A 7 -0.739 13.924 -4.627 1.00 0.00 C ATOM 100 O LEU A 7 -1.104 14.062 -3.471 1.00 0.00 O ATOM 101 CB LEU A 7 1.724 13.515 -4.649 1.00 0.00 C ATOM 102 CG LEU A 7 2.222 13.077 -3.270 1.00 0.00 C ATOM 103 CD1 LEU A 7 3.620 13.648 -3.027 1.00 0.00 C ATOM 104 CD2 LEU A 7 1.265 13.598 -2.194 1.00 0.00 C ATOM 105 H LEU A 7 0.581 13.028 -7.019 1.00 0.00 H ATOM 106 HA LEU A 7 0.216 12.049 -4.260 1.00 0.00 H ATOM 107 HB2 LEU A 7 2.420 13.186 -5.405 1.00 0.00 H ATOM 108 HB3 LEU A 7 1.645 14.592 -4.676 1.00 0.00 H ATOM 109 HG LEU A 7 2.262 11.999 -3.228 1.00 0.00 H ATOM 110 HD11 LEU A 7 4.323 13.177 -3.697 1.00 0.00 H ATOM 111 HD12 LEU A 7 3.913 13.458 -2.005 1.00 0.00 H ATOM 112 HD13 LEU A 7 3.610 14.714 -3.207 1.00 0.00 H ATOM 113 HD21 LEU A 7 1.775 13.626 -1.243 1.00 0.00 H ATOM 114 HD22 LEU A 7 0.409 12.943 -2.126 1.00 0.00 H ATOM 115 HD23 LEU A 7 0.938 14.594 -2.456 1.00 0.00 H TER 116 LEU A 7 ENDMDL MODEL 2 ATOM 1 N ILE A 1 -1.728 21.835 -2.737 1.00 0.00 N ATOM 2 CA ILE A 1 -0.962 21.021 -3.722 1.00 0.00 C ATOM 3 C ILE A 1 -1.937 20.268 -4.622 1.00 0.00 C ATOM 4 O ILE A 1 -2.994 19.825 -4.175 1.00 0.00 O ATOM 5 CB ILE A 1 -0.069 20.029 -2.975 1.00 0.00 C ATOM 6 CG1 ILE A 1 0.556 19.054 -3.976 1.00 0.00 C ATOM 7 CG2 ILE A 1 -0.908 19.249 -1.962 1.00 0.00 C ATOM 8 CD1 ILE A 1 1.660 18.251 -3.284 1.00 0.00 C ATOM 9 H1 ILE A 1 -1.209 21.872 -1.837 1.00 0.00 H ATOM 10 H2 ILE A 1 -2.662 21.403 -2.581 1.00 0.00 H ATOM 11 H3 ILE A 1 -1.849 22.801 -3.104 1.00 0.00 H ATOM 12 HA ILE A 1 -0.348 21.673 -4.325 1.00 0.00 H ATOM 13 HB ILE A 1 0.712 20.568 -2.457 1.00 0.00 H ATOM 14 HG12 ILE A 1 -0.203 18.381 -4.345 1.00 0.00 H ATOM 15 HG13 ILE A 1 0.980 19.608 -4.800 1.00 0.00 H ATOM 16 HG21 ILE A 1 -1.277 19.923 -1.203 1.00 0.00 H ATOM 17 HG22 ILE A 1 -0.297 18.487 -1.500 1.00 0.00 H ATOM 18 HG23 ILE A 1 -1.743 18.785 -2.467 1.00 0.00 H ATOM 19 HD11 ILE A 1 2.551 18.857 -3.204 1.00 0.00 H ATOM 20 HD12 ILE A 1 1.878 17.367 -3.864 1.00 0.00 H ATOM 21 HD13 ILE A 1 1.330 17.963 -2.297 1.00 0.00 H ATOM 22 N ASN A 2 -1.572 20.128 -5.893 1.00 0.00 N ATOM 23 CA ASN A 2 -2.415 19.414 -6.845 1.00 0.00 C ATOM 24 C ASN A 2 -1.623 18.312 -7.542 1.00 0.00 C ATOM 25 O ASN A 2 -0.532 18.552 -8.059 1.00 0.00 O ATOM 26 CB ASN A 2 -2.966 20.388 -7.888 1.00 0.00 C ATOM 27 CG ASN A 2 -1.907 21.429 -8.239 1.00 0.00 C ATOM 28 OD1 ASN A 2 -1.322 22.043 -7.348 1.00 0.00 O ATOM 29 ND2 ASN A 2 -1.627 21.663 -9.492 1.00 0.00 N ATOM 30 H ASN A 2 -0.723 20.511 -6.196 1.00 0.00 H ATOM 31 HA ASN A 2 -3.243 18.969 -6.314 1.00 0.00 H ATOM 32 HB2 ASN A 2 -3.239 19.841 -8.779 1.00 0.00 H ATOM 33 HB3 ASN A 2 -3.838 20.885 -7.491 1.00 0.00 H ATOM 34 HD21 ASN A 2 -2.094 21.173 -10.199 1.00 0.00 H ATOM 35 HD22 ASN A 2 -0.949 22.331 -9.724 1.00 0.00 H ATOM 36 N CYS A 3 -2.179 17.105 -7.550 1.00 0.00 N ATOM 37 CA CYS A 3 -1.518 15.976 -8.193 1.00 0.00 C ATOM 38 C CYS A 3 -2.606 15.095 -8.846 1.00 0.00 C ATOM 39 O CYS A 3 -3.288 14.461 -8.040 1.00 0.00 O ATOM 40 CB CYS A 3 -0.737 15.167 -7.155 1.00 0.00 C ATOM 41 SG CYS A 3 -1.869 14.590 -5.865 1.00 0.00 S ATOM 42 H CYS A 3 -3.048 16.972 -7.117 1.00 0.00 H ATOM 43 HA CYS A 3 -0.827 16.349 -8.934 1.00 0.00 H ATOM 44 HB2 CYS A 3 -0.273 14.318 -7.633 1.00 0.00 H ATOM 45 HB3 CYS A 3 0.025 15.792 -6.711 1.00 0.00 H ATOM 46 N ASP A 4 -2.797 15.038 -10.159 1.00 0.00 N ATOM 47 CA ASP A 4 -1.966 15.809 -11.076 1.00 0.00 C ATOM 48 C ASP A 4 -0.501 15.409 -10.936 1.00 0.00 C ATOM 49 O ASP A 4 0.382 16.032 -11.525 1.00 0.00 O ATOM 50 CB ASP A 4 -2.119 17.303 -10.789 1.00 0.00 C ATOM 51 CG ASP A 4 -2.846 17.984 -11.943 1.00 0.00 C ATOM 52 OD1 ASP A 4 -3.852 17.450 -12.381 1.00 0.00 O ATOM 53 OD2 ASP A 4 -2.387 19.030 -12.372 1.00 0.00 O ATOM 54 H ASP A 4 -3.508 14.467 -10.518 1.00 0.00 H ATOM 55 HA ASP A 4 -2.287 15.614 -12.088 1.00 0.00 H ATOM 56 HB2 ASP A 4 -2.685 17.437 -9.879 1.00 0.00 H ATOM 57 HB3 ASP A 4 -1.142 17.747 -10.671 1.00 0.00 H ATOM 58 N PHE A 5 -0.249 14.366 -10.152 1.00 0.00 N ATOM 59 CA PHE A 5 1.113 13.888 -9.945 1.00 0.00 C ATOM 60 C PHE A 5 1.122 12.680 -9.014 1.00 0.00 C ATOM 61 O PHE A 5 2.133 12.383 -8.377 1.00 0.00 O ATOM 62 CB PHE A 5 1.973 15.003 -9.347 1.00 0.00 C ATOM 63 CG PHE A 5 3.333 14.453 -8.987 1.00 0.00 C ATOM 64 CD1 PHE A 5 4.231 14.092 -9.998 1.00 0.00 C ATOM 65 CD2 PHE A 5 3.694 14.303 -7.643 1.00 0.00 C ATOM 66 CE1 PHE A 5 5.491 13.580 -9.665 1.00 0.00 C ATOM 67 CE2 PHE A 5 4.954 13.792 -7.310 1.00 0.00 C ATOM 68 CZ PHE A 5 5.853 13.432 -8.321 1.00 0.00 C ATOM 69 H PHE A 5 -0.992 13.911 -9.703 1.00 0.00 H ATOM 70 HA PHE A 5 1.531 13.600 -10.898 1.00 0.00 H ATOM 71 HB2 PHE A 5 2.086 15.798 -10.070 1.00 0.00 H ATOM 72 HB3 PHE A 5 1.496 15.389 -8.459 1.00 0.00 H ATOM 73 HD1 PHE A 5 3.952 14.207 -11.035 1.00 0.00 H ATOM 74 HD2 PHE A 5 3.001 14.581 -6.863 1.00 0.00 H ATOM 75 HE1 PHE A 5 6.185 13.303 -10.445 1.00 0.00 H ATOM 76 HE2 PHE A 5 5.233 13.677 -6.273 1.00 0.00 H ATOM 77 HZ PHE A 5 6.825 13.038 -8.063 1.00 0.00 H ATOM 78 N LEU A 6 -0.009 11.987 -8.941 1.00 0.00 N ATOM 79 CA LEU A 6 -0.120 10.811 -8.085 1.00 0.00 C ATOM 80 C LEU A 6 0.195 11.171 -6.637 1.00 0.00 C ATOM 81 O LEU A 6 0.678 10.337 -5.871 1.00 0.00 O ATOM 82 CB LEU A 6 0.846 9.725 -8.564 1.00 0.00 C ATOM 83 CG LEU A 6 0.284 9.061 -9.821 1.00 0.00 C ATOM 84 CD1 LEU A 6 0.211 10.088 -10.953 1.00 0.00 C ATOM 85 CD2 LEU A 6 1.198 7.907 -10.240 1.00 0.00 C ATOM 86 H LEU A 6 -0.783 12.272 -9.471 1.00 0.00 H ATOM 87 HA LEU A 6 -1.128 10.431 -8.141 1.00 0.00 H ATOM 88 HB2 LEU A 6 1.804 10.169 -8.787 1.00 0.00 H ATOM 89 HB3 LEU A 6 0.964 8.982 -7.789 1.00 0.00 H ATOM 90 HG LEU A 6 -0.707 8.682 -9.616 1.00 0.00 H ATOM 91 HD11 LEU A 6 1.097 10.705 -10.936 1.00 0.00 H ATOM 92 HD12 LEU A 6 -0.662 10.708 -10.821 1.00 0.00 H ATOM 93 HD13 LEU A 6 0.148 9.575 -11.901 1.00 0.00 H ATOM 94 HD21 LEU A 6 1.179 7.140 -9.480 1.00 0.00 H ATOM 95 HD22 LEU A 6 2.208 8.272 -10.357 1.00 0.00 H ATOM 96 HD23 LEU A 6 0.853 7.495 -11.177 1.00 0.00 H ATOM 97 N LEU A 7 -0.082 12.418 -6.269 1.00 0.00 N ATOM 98 CA LEU A 7 0.170 12.875 -4.907 1.00 0.00 C ATOM 99 C LEU A 7 -0.720 14.066 -4.567 1.00 0.00 C ATOM 100 O LEU A 7 -0.973 14.277 -3.393 1.00 0.00 O ATOM 101 CB LEU A 7 1.639 13.274 -4.754 1.00 0.00 C ATOM 102 CG LEU A 7 2.166 12.781 -3.405 1.00 0.00 C ATOM 103 CD1 LEU A 7 3.650 13.128 -3.278 1.00 0.00 C ATOM 104 CD2 LEU A 7 1.385 13.459 -2.277 1.00 0.00 C ATOM 105 H LEU A 7 -0.464 13.040 -6.923 1.00 0.00 H ATOM 106 HA LEU A 7 -0.045 12.070 -4.221 1.00 0.00 H ATOM 107 HB2 LEU A 7 2.218 12.829 -5.552 1.00 0.00 H ATOM 108 HB3 LEU A 7 1.728 14.348 -4.802 1.00 0.00 H ATOM 109 HG LEU A 7 2.040 11.709 -3.341 1.00 0.00 H ATOM 110 HD11 LEU A 7 4.218 12.544 -3.986 1.00 0.00 H ATOM 111 HD12 LEU A 7 3.987 12.905 -2.276 1.00 0.00 H ATOM 112 HD13 LEU A 7 3.792 14.179 -3.481 1.00 0.00 H ATOM 113 HD21 LEU A 7 0.444 12.949 -2.134 1.00 0.00 H ATOM 114 HD22 LEU A 7 1.201 14.490 -2.536 1.00 0.00 H ATOM 115 HD23 LEU A 7 1.962 13.414 -1.364 1.00 0.00 H TER 116 LEU A 7 ENDMDL MODEL 3 ATOM 1 N ILE A 1 -1.643 20.201 -2.561 1.00 0.00 N ATOM 2 CA ILE A 1 -0.931 20.428 -3.850 1.00 0.00 C ATOM 3 C ILE A 1 -1.607 19.619 -4.952 1.00 0.00 C ATOM 4 O ILE A 1 -2.016 18.478 -4.736 1.00 0.00 O ATOM 5 CB ILE A 1 0.529 19.993 -3.706 1.00 0.00 C ATOM 6 CG1 ILE A 1 0.605 18.464 -3.690 1.00 0.00 C ATOM 7 CG2 ILE A 1 1.099 20.543 -2.398 1.00 0.00 C ATOM 8 CD1 ILE A 1 2.041 18.026 -3.399 1.00 0.00 C ATOM 9 H1 ILE A 1 -1.068 19.588 -1.949 1.00 0.00 H ATOM 10 H2 ILE A 1 -2.560 19.746 -2.748 1.00 0.00 H ATOM 11 H3 ILE A 1 -1.799 21.113 -2.087 1.00 0.00 H ATOM 12 HA ILE A 1 -0.968 21.478 -4.102 1.00 0.00 H ATOM 13 HB ILE A 1 1.102 20.375 -4.538 1.00 0.00 H ATOM 14 HG12 ILE A 1 -0.052 18.079 -2.924 1.00 0.00 H ATOM 15 HG13 ILE A 1 0.301 18.078 -4.652 1.00 0.00 H ATOM 16 HG21 ILE A 1 0.660 20.016 -1.564 1.00 0.00 H ATOM 17 HG22 ILE A 1 0.870 21.596 -2.320 1.00 0.00 H ATOM 18 HG23 ILE A 1 2.171 20.406 -2.387 1.00 0.00 H ATOM 19 HD11 ILE A 1 2.165 16.990 -3.675 1.00 0.00 H ATOM 20 HD12 ILE A 1 2.247 18.145 -2.345 1.00 0.00 H ATOM 21 HD13 ILE A 1 2.726 18.636 -3.970 1.00 0.00 H ATOM 22 N ASN A 2 -1.724 20.218 -6.132 1.00 0.00 N ATOM 23 CA ASN A 2 -2.341 19.537 -7.266 1.00 0.00 C ATOM 24 C ASN A 2 -1.629 18.219 -7.551 1.00 0.00 C ATOM 25 O ASN A 2 -0.405 18.130 -7.454 1.00 0.00 O ATOM 26 CB ASN A 2 -2.281 20.431 -8.506 1.00 0.00 C ATOM 27 CG ASN A 2 -2.421 21.894 -8.103 1.00 0.00 C ATOM 28 OD1 ASN A 2 -1.672 22.746 -8.582 1.00 0.00 O ATOM 29 ND2 ASN A 2 -3.340 22.239 -7.243 1.00 0.00 N ATOM 30 H ASN A 2 -1.391 21.133 -6.243 1.00 0.00 H ATOM 31 HA ASN A 2 -3.375 19.334 -7.032 1.00 0.00 H ATOM 32 HB2 ASN A 2 -1.334 20.285 -9.007 1.00 0.00 H ATOM 33 HB3 ASN A 2 -3.085 20.167 -9.177 1.00 0.00 H ATOM 34 HD21 ASN A 2 -3.934 21.560 -6.862 1.00 0.00 H ATOM 35 HD22 ASN A 2 -3.436 23.178 -6.978 1.00 0.00 H ATOM 36 N CYS A 3 -2.403 17.198 -7.902 1.00 0.00 N ATOM 37 CA CYS A 3 -1.834 15.888 -8.200 1.00 0.00 C ATOM 38 C CYS A 3 -2.793 15.072 -9.082 1.00 0.00 C ATOM 39 O CYS A 3 -3.577 14.369 -8.446 1.00 0.00 O ATOM 40 CB CYS A 3 -1.613 15.107 -6.904 1.00 0.00 C ATOM 41 SG CYS A 3 -0.114 15.708 -6.086 1.00 0.00 S ATOM 42 H CYS A 3 -3.372 17.327 -7.961 1.00 0.00 H ATOM 43 HA CYS A 3 -0.883 16.023 -8.693 1.00 0.00 H ATOM 44 HB2 CYS A 3 -2.460 15.247 -6.249 1.00 0.00 H ATOM 45 HB3 CYS A 3 -1.503 14.057 -7.131 1.00 0.00 H ATOM 46 N ASP A 4 -2.778 15.119 -10.410 1.00 0.00 N ATOM 47 CA ASP A 4 -1.830 15.967 -11.124 1.00 0.00 C ATOM 48 C ASP A 4 -0.400 15.499 -10.876 1.00 0.00 C ATOM 49 O ASP A 4 0.550 16.056 -11.427 1.00 0.00 O ATOM 50 CB ASP A 4 -1.981 17.419 -10.666 1.00 0.00 C ATOM 51 CG ASP A 4 -1.992 18.348 -11.875 1.00 0.00 C ATOM 52 OD1 ASP A 4 -2.739 18.076 -12.799 1.00 0.00 O ATOM 53 OD2 ASP A 4 -1.254 19.320 -11.858 1.00 0.00 O ATOM 54 H ASP A 4 -3.415 14.574 -10.919 1.00 0.00 H ATOM 55 HA ASP A 4 -2.038 15.912 -12.182 1.00 0.00 H ATOM 56 HB2 ASP A 4 -2.907 17.528 -10.121 1.00 0.00 H ATOM 57 HB3 ASP A 4 -1.153 17.679 -10.023 1.00 0.00 H ATOM 58 N PHE A 5 -0.254 14.472 -10.044 1.00 0.00 N ATOM 59 CA PHE A 5 1.067 13.948 -9.719 1.00 0.00 C ATOM 60 C PHE A 5 0.954 12.773 -8.752 1.00 0.00 C ATOM 61 O PHE A 5 1.932 12.386 -8.114 1.00 0.00 O ATOM 62 CB PHE A 5 1.925 15.047 -9.090 1.00 0.00 C ATOM 63 CG PHE A 5 3.381 14.651 -9.160 1.00 0.00 C ATOM 64 CD1 PHE A 5 4.146 14.992 -10.282 1.00 0.00 C ATOM 65 CD2 PHE A 5 3.966 13.944 -8.101 1.00 0.00 C ATOM 66 CE1 PHE A 5 5.495 14.625 -10.347 1.00 0.00 C ATOM 67 CE2 PHE A 5 5.315 13.579 -8.167 1.00 0.00 C ATOM 68 CZ PHE A 5 6.080 13.919 -9.289 1.00 0.00 C ATOM 69 H PHE A 5 -1.048 14.062 -9.643 1.00 0.00 H ATOM 70 HA PHE A 5 1.543 13.611 -10.626 1.00 0.00 H ATOM 71 HB2 PHE A 5 1.776 15.972 -9.628 1.00 0.00 H ATOM 72 HB3 PHE A 5 1.639 15.180 -8.057 1.00 0.00 H ATOM 73 HD1 PHE A 5 3.694 15.537 -11.098 1.00 0.00 H ATOM 74 HD2 PHE A 5 3.376 13.682 -7.236 1.00 0.00 H ATOM 75 HE1 PHE A 5 6.084 14.887 -11.213 1.00 0.00 H ATOM 76 HE2 PHE A 5 5.767 13.034 -7.351 1.00 0.00 H ATOM 77 HZ PHE A 5 7.121 13.636 -9.339 1.00 0.00 H ATOM 78 N LEU A 6 -0.247 12.209 -8.653 1.00 0.00 N ATOM 79 CA LEU A 6 -0.482 11.096 -7.742 1.00 0.00 C ATOM 80 C LEU A 6 -0.170 11.502 -6.306 1.00 0.00 C ATOM 81 O LEU A 6 -0.266 10.690 -5.385 1.00 0.00 O ATOM 82 CB LEU A 6 0.391 9.903 -8.137 1.00 0.00 C ATOM 83 CG LEU A 6 -0.196 9.229 -9.379 1.00 0.00 C ATOM 84 CD1 LEU A 6 -0.147 10.201 -10.559 1.00 0.00 C ATOM 85 CD2 LEU A 6 0.620 7.980 -9.713 1.00 0.00 C ATOM 86 H LEU A 6 -0.984 12.548 -9.200 1.00 0.00 H ATOM 87 HA LEU A 6 -1.519 10.804 -7.806 1.00 0.00 H ATOM 88 HB2 LEU A 6 1.392 10.246 -8.354 1.00 0.00 H ATOM 89 HB3 LEU A 6 0.420 9.193 -7.325 1.00 0.00 H ATOM 90 HG LEU A 6 -1.222 8.951 -9.185 1.00 0.00 H ATOM 91 HD11 LEU A 6 -0.227 9.649 -11.483 1.00 0.00 H ATOM 92 HD12 LEU A 6 0.789 10.740 -10.542 1.00 0.00 H ATOM 93 HD13 LEU A 6 -0.967 10.900 -10.485 1.00 0.00 H ATOM 94 HD21 LEU A 6 0.513 7.256 -8.918 1.00 0.00 H ATOM 95 HD22 LEU A 6 1.661 8.246 -9.820 1.00 0.00 H ATOM 96 HD23 LEU A 6 0.262 7.552 -10.639 1.00 0.00 H ATOM 97 N LEU A 7 0.204 12.764 -6.121 1.00 0.00 N ATOM 98 CA LEU A 7 0.514 13.271 -4.790 1.00 0.00 C ATOM 99 C LEU A 7 -0.058 14.673 -4.602 1.00 0.00 C ATOM 100 O LEU A 7 -0.847 14.852 -3.690 1.00 0.00 O ATOM 101 CB LEU A 7 2.029 13.306 -4.584 1.00 0.00 C ATOM 102 CG LEU A 7 2.342 13.393 -3.090 1.00 0.00 C ATOM 103 CD1 LEU A 7 2.379 11.986 -2.492 1.00 0.00 C ATOM 104 CD2 LEU A 7 3.702 14.066 -2.892 1.00 0.00 C ATOM 105 H LEU A 7 0.271 13.364 -6.893 1.00 0.00 H ATOM 106 HA LEU A 7 0.078 12.614 -4.053 1.00 0.00 H ATOM 107 HB2 LEU A 7 2.468 12.405 -4.991 1.00 0.00 H ATOM 108 HB3 LEU A 7 2.443 14.167 -5.087 1.00 0.00 H ATOM 109 HG LEU A 7 1.575 13.974 -2.596 1.00 0.00 H ATOM 110 HD11 LEU A 7 3.113 11.392 -3.014 1.00 0.00 H ATOM 111 HD12 LEU A 7 1.407 11.525 -2.592 1.00 0.00 H ATOM 112 HD13 LEU A 7 2.642 12.046 -1.447 1.00 0.00 H ATOM 113 HD21 LEU A 7 4.462 13.499 -3.407 1.00 0.00 H ATOM 114 HD22 LEU A 7 3.934 14.106 -1.838 1.00 0.00 H ATOM 115 HD23 LEU A 7 3.668 15.069 -3.291 1.00 0.00 H TER 116 LEU A 7 ENDMDL MODEL 4 ATOM 1 N ILE A 1 -2.032 21.336 -2.717 1.00 0.00 N ATOM 2 CA ILE A 1 -1.113 20.566 -3.603 1.00 0.00 C ATOM 3 C ILE A 1 -1.920 19.900 -4.712 1.00 0.00 C ATOM 4 O ILE A 1 -2.941 19.263 -4.453 1.00 0.00 O ATOM 5 CB ILE A 1 -0.385 19.503 -2.777 1.00 0.00 C ATOM 6 CG1 ILE A 1 0.431 18.605 -3.709 1.00 0.00 C ATOM 7 CG2 ILE A 1 -1.407 18.655 -2.019 1.00 0.00 C ATOM 8 CD1 ILE A 1 1.367 17.724 -2.880 1.00 0.00 C ATOM 9 H1 ILE A 1 -2.413 22.150 -3.238 1.00 0.00 H ATOM 10 H2 ILE A 1 -1.508 21.671 -1.882 1.00 0.00 H ATOM 11 H3 ILE A 1 -2.815 20.723 -2.413 1.00 0.00 H ATOM 12 HA ILE A 1 -0.390 21.238 -4.039 1.00 0.00 H ATOM 13 HB ILE A 1 0.275 19.987 -2.070 1.00 0.00 H ATOM 14 HG12 ILE A 1 -0.238 17.981 -4.284 1.00 0.00 H ATOM 15 HG13 ILE A 1 1.016 19.218 -4.378 1.00 0.00 H ATOM 16 HG21 ILE A 1 -0.895 18.020 -1.311 1.00 0.00 H ATOM 17 HG22 ILE A 1 -1.957 18.043 -2.719 1.00 0.00 H ATOM 18 HG23 ILE A 1 -2.093 19.302 -1.492 1.00 0.00 H ATOM 19 HD11 ILE A 1 2.216 18.307 -2.554 1.00 0.00 H ATOM 20 HD12 ILE A 1 1.709 16.895 -3.482 1.00 0.00 H ATOM 21 HD13 ILE A 1 0.837 17.347 -2.018 1.00 0.00 H ATOM 22 N ASN A 2 -1.454 20.051 -5.947 1.00 0.00 N ATOM 23 CA ASN A 2 -2.131 19.445 -7.088 1.00 0.00 C ATOM 24 C ASN A 2 -1.459 18.132 -7.475 1.00 0.00 C ATOM 25 O ASN A 2 -0.232 18.027 -7.469 1.00 0.00 O ATOM 26 CB ASN A 2 -2.107 20.404 -8.279 1.00 0.00 C ATOM 27 CG ASN A 2 -0.812 21.208 -8.276 1.00 0.00 C ATOM 28 OD1 ASN A 2 -0.546 21.955 -7.333 1.00 0.00 O ATOM 29 ND2 ASN A 2 0.017 21.100 -9.278 1.00 0.00 N ATOM 30 H ASN A 2 -0.641 20.579 -6.095 1.00 0.00 H ATOM 31 HA ASN A 2 -3.158 19.248 -6.821 1.00 0.00 H ATOM 32 HB2 ASN A 2 -2.175 19.837 -9.197 1.00 0.00 H ATOM 33 HB3 ASN A 2 -2.947 21.080 -8.214 1.00 0.00 H ATOM 34 HD21 ASN A 2 -0.197 20.505 -10.027 1.00 0.00 H ATOM 35 HD22 ASN A 2 0.851 21.613 -9.283 1.00 0.00 H ATOM 36 N CYS A 3 -2.269 17.135 -7.812 1.00 0.00 N ATOM 37 CA CYS A 3 -1.741 15.832 -8.199 1.00 0.00 C ATOM 38 C CYS A 3 -2.756 15.075 -9.065 1.00 0.00 C ATOM 39 O CYS A 3 -3.548 14.386 -8.423 1.00 0.00 O ATOM 40 CB CYS A 3 -1.471 14.986 -6.954 1.00 0.00 C ATOM 41 SG CYS A 3 0.068 15.533 -6.175 1.00 0.00 S ATOM 42 H CYS A 3 -3.238 17.277 -7.799 1.00 0.00 H ATOM 43 HA CYS A 3 -0.812 15.975 -8.732 1.00 0.00 H ATOM 44 HB2 CYS A 3 -2.287 15.101 -6.256 1.00 0.00 H ATOM 45 HB3 CYS A 3 -1.382 13.947 -7.236 1.00 0.00 H ATOM 46 N ASP A 4 -2.777 15.156 -10.391 1.00 0.00 N ATOM 47 CA ASP A 4 -1.818 15.986 -11.112 1.00 0.00 C ATOM 48 C ASP A 4 -0.401 15.452 -10.925 1.00 0.00 C ATOM 49 O ASP A 4 0.550 15.974 -11.506 1.00 0.00 O ATOM 50 CB ASP A 4 -1.893 17.428 -10.607 1.00 0.00 C ATOM 51 CG ASP A 4 -1.926 18.392 -11.789 1.00 0.00 C ATOM 52 OD1 ASP A 4 -2.723 18.172 -12.686 1.00 0.00 O ATOM 53 OD2 ASP A 4 -1.154 19.336 -11.780 1.00 0.00 O ATOM 54 H ASP A 4 -3.449 14.650 -10.894 1.00 0.00 H ATOM 55 HA ASP A 4 -2.061 15.971 -12.163 1.00 0.00 H ATOM 56 HB2 ASP A 4 -2.788 17.555 -10.017 1.00 0.00 H ATOM 57 HB3 ASP A 4 -1.027 17.640 -9.998 1.00 0.00 H ATOM 58 N PHE A 5 -0.269 14.411 -10.109 1.00 0.00 N ATOM 59 CA PHE A 5 1.038 13.821 -9.845 1.00 0.00 C ATOM 60 C PHE A 5 0.908 12.627 -8.905 1.00 0.00 C ATOM 61 O PHE A 5 1.897 12.151 -8.350 1.00 0.00 O ATOM 62 CB PHE A 5 1.965 14.865 -9.221 1.00 0.00 C ATOM 63 CG PHE A 5 3.403 14.463 -9.448 1.00 0.00 C ATOM 64 CD1 PHE A 5 4.073 14.883 -10.604 1.00 0.00 C ATOM 65 CD2 PHE A 5 4.066 13.671 -8.503 1.00 0.00 C ATOM 66 CE1 PHE A 5 5.405 14.510 -10.815 1.00 0.00 C ATOM 67 CE2 PHE A 5 5.399 13.298 -8.715 1.00 0.00 C ATOM 68 CZ PHE A 5 6.069 13.717 -9.870 1.00 0.00 C ATOM 69 H PHE A 5 -1.064 14.033 -9.678 1.00 0.00 H ATOM 70 HA PHE A 5 1.467 13.488 -10.778 1.00 0.00 H ATOM 71 HB2 PHE A 5 1.783 15.827 -9.677 1.00 0.00 H ATOM 72 HB3 PHE A 5 1.774 14.928 -8.159 1.00 0.00 H ATOM 73 HD1 PHE A 5 3.561 15.493 -11.333 1.00 0.00 H ATOM 74 HD2 PHE A 5 3.551 13.347 -7.612 1.00 0.00 H ATOM 75 HE1 PHE A 5 5.921 14.833 -11.707 1.00 0.00 H ATOM 76 HE2 PHE A 5 5.911 12.687 -7.986 1.00 0.00 H ATOM 77 HZ PHE A 5 7.097 13.430 -10.034 1.00 0.00 H ATOM 78 N LEU A 6 -0.320 12.148 -8.733 1.00 0.00 N ATOM 79 CA LEU A 6 -0.571 11.019 -7.846 1.00 0.00 C ATOM 80 C LEU A 6 -0.260 11.394 -6.400 1.00 0.00 C ATOM 81 O LEU A 6 -0.488 10.607 -5.481 1.00 0.00 O ATOM 82 CB LEU A 6 0.291 9.825 -8.261 1.00 0.00 C ATOM 83 CG LEU A 6 0.178 9.615 -9.772 1.00 0.00 C ATOM 84 CD1 LEU A 6 1.133 8.502 -10.206 1.00 0.00 C ATOM 85 CD2 LEU A 6 -1.257 9.219 -10.123 1.00 0.00 C ATOM 86 H LEU A 6 -1.070 12.561 -9.211 1.00 0.00 H ATOM 87 HA LEU A 6 -1.611 10.739 -7.918 1.00 0.00 H ATOM 88 HB2 LEU A 6 1.322 10.017 -8.000 1.00 0.00 H ATOM 89 HB3 LEU A 6 -0.050 8.939 -7.749 1.00 0.00 H ATOM 90 HG LEU A 6 0.437 10.531 -10.283 1.00 0.00 H ATOM 91 HD11 LEU A 6 0.982 8.286 -11.253 1.00 0.00 H ATOM 92 HD12 LEU A 6 0.940 7.613 -9.623 1.00 0.00 H ATOM 93 HD13 LEU A 6 2.153 8.821 -10.049 1.00 0.00 H ATOM 94 HD21 LEU A 6 -1.271 8.732 -11.088 1.00 0.00 H ATOM 95 HD22 LEU A 6 -1.877 10.103 -10.158 1.00 0.00 H ATOM 96 HD23 LEU A 6 -1.639 8.542 -9.373 1.00 0.00 H ATOM 97 N LEU A 7 0.263 12.601 -6.206 1.00 0.00 N ATOM 98 CA LEU A 7 0.585 13.076 -4.866 1.00 0.00 C ATOM 99 C LEU A 7 0.112 14.514 -4.679 1.00 0.00 C ATOM 100 O LEU A 7 -0.630 14.756 -3.741 1.00 0.00 O ATOM 101 CB LEU A 7 2.096 12.999 -4.635 1.00 0.00 C ATOM 102 CG LEU A 7 2.501 11.546 -4.385 1.00 0.00 C ATOM 103 CD1 LEU A 7 3.952 11.339 -4.822 1.00 0.00 C ATOM 104 CD2 LEU A 7 2.368 11.230 -2.894 1.00 0.00 C ATOM 105 H LEU A 7 0.433 13.181 -6.977 1.00 0.00 H ATOM 106 HA LEU A 7 0.090 12.447 -4.142 1.00 0.00 H ATOM 107 HB2 LEU A 7 2.612 13.374 -5.507 1.00 0.00 H ATOM 108 HB3 LEU A 7 2.359 13.596 -3.775 1.00 0.00 H ATOM 109 HG LEU A 7 1.857 10.890 -4.954 1.00 0.00 H ATOM 110 HD11 LEU A 7 4.580 12.077 -4.346 1.00 0.00 H ATOM 111 HD12 LEU A 7 4.024 11.441 -5.895 1.00 0.00 H ATOM 112 HD13 LEU A 7 4.277 10.349 -4.533 1.00 0.00 H ATOM 113 HD21 LEU A 7 1.434 11.625 -2.524 1.00 0.00 H ATOM 114 HD22 LEU A 7 3.189 11.679 -2.356 1.00 0.00 H ATOM 115 HD23 LEU A 7 2.388 10.159 -2.750 1.00 0.00 H TER 116 LEU A 7 ENDMDL MODEL 5 ATOM 1 N ILE A 1 -2.673 21.013 -2.461 1.00 0.00 N ATOM 2 CA ILE A 1 -1.737 20.487 -3.494 1.00 0.00 C ATOM 3 C ILE A 1 -2.527 19.725 -4.552 1.00 0.00 C ATOM 4 O ILE A 1 -3.448 18.974 -4.231 1.00 0.00 O ATOM 5 CB ILE A 1 -0.720 19.558 -2.831 1.00 0.00 C ATOM 6 CG1 ILE A 1 0.098 18.844 -3.910 1.00 0.00 C ATOM 7 CG2 ILE A 1 -1.455 18.520 -1.980 1.00 0.00 C ATOM 8 CD1 ILE A 1 1.292 18.140 -3.264 1.00 0.00 C ATOM 9 H1 ILE A 1 -3.318 21.702 -2.896 1.00 0.00 H ATOM 10 H2 ILE A 1 -2.129 21.476 -1.704 1.00 0.00 H ATOM 11 H3 ILE A 1 -3.226 20.229 -2.062 1.00 0.00 H ATOM 12 HA ILE A 1 -1.217 21.312 -3.960 1.00 0.00 H ATOM 13 HB ILE A 1 -0.060 20.137 -2.200 1.00 0.00 H ATOM 14 HG12 ILE A 1 -0.524 18.115 -4.409 1.00 0.00 H ATOM 15 HG13 ILE A 1 0.454 19.566 -4.628 1.00 0.00 H ATOM 16 HG21 ILE A 1 -2.053 19.023 -1.236 1.00 0.00 H ATOM 17 HG22 ILE A 1 -0.735 17.881 -1.491 1.00 0.00 H ATOM 18 HG23 ILE A 1 -2.094 17.923 -2.613 1.00 0.00 H ATOM 19 HD11 ILE A 1 0.980 17.673 -2.342 1.00 0.00 H ATOM 20 HD12 ILE A 1 2.068 18.862 -3.058 1.00 0.00 H ATOM 21 HD13 ILE A 1 1.673 17.385 -3.937 1.00 0.00 H ATOM 22 N ASN A 2 -2.159 19.920 -5.814 1.00 0.00 N ATOM 23 CA ASN A 2 -2.828 19.231 -6.911 1.00 0.00 C ATOM 24 C ASN A 2 -2.034 17.998 -7.333 1.00 0.00 C ATOM 25 O ASN A 2 -0.804 18.020 -7.360 1.00 0.00 O ATOM 26 CB ASN A 2 -2.983 20.174 -8.104 1.00 0.00 C ATOM 27 CG ASN A 2 -1.800 21.134 -8.166 1.00 0.00 C ATOM 28 OD1 ASN A 2 -0.738 20.850 -7.612 1.00 0.00 O ATOM 29 ND2 ASN A 2 -1.922 22.263 -8.811 1.00 0.00 N ATOM 30 H ASN A 2 -1.425 20.539 -6.011 1.00 0.00 H ATOM 31 HA ASN A 2 -3.809 18.920 -6.583 1.00 0.00 H ATOM 32 HB2 ASN A 2 -3.023 19.595 -9.016 1.00 0.00 H ATOM 33 HB3 ASN A 2 -3.897 20.739 -7.999 1.00 0.00 H ATOM 34 HD21 ASN A 2 -2.768 22.487 -9.251 1.00 0.00 H ATOM 35 HD22 ASN A 2 -1.165 22.885 -8.856 1.00 0.00 H ATOM 36 N CYS A 3 -2.746 16.925 -7.662 1.00 0.00 N ATOM 37 CA CYS A 3 -2.096 15.689 -8.081 1.00 0.00 C ATOM 38 C CYS A 3 -3.039 14.831 -8.939 1.00 0.00 C ATOM 39 O CYS A 3 -3.714 14.032 -8.289 1.00 0.00 O ATOM 40 CB CYS A 3 -1.719 14.856 -6.854 1.00 0.00 C ATOM 41 SG CYS A 3 -0.303 15.615 -6.021 1.00 0.00 S ATOM 42 H CYS A 3 -3.724 16.966 -7.622 1.00 0.00 H ATOM 43 HA CYS A 3 -1.197 15.932 -8.626 1.00 0.00 H ATOM 44 HB2 CYS A 3 -2.558 14.815 -6.174 1.00 0.00 H ATOM 45 HB3 CYS A 3 -1.459 13.855 -7.165 1.00 0.00 H ATOM 46 N ASP A 4 -3.120 14.937 -10.261 1.00 0.00 N ATOM 47 CA ASP A 4 -2.301 15.899 -10.991 1.00 0.00 C ATOM 48 C ASP A 4 -0.823 15.542 -10.874 1.00 0.00 C ATOM 49 O ASP A 4 0.033 16.195 -11.470 1.00 0.00 O ATOM 50 CB ASP A 4 -2.534 17.307 -10.443 1.00 0.00 C ATOM 51 CG ASP A 4 -2.721 18.291 -11.592 1.00 0.00 C ATOM 52 OD1 ASP A 4 -3.561 18.030 -12.438 1.00 0.00 O ATOM 53 OD2 ASP A 4 -2.022 19.290 -11.610 1.00 0.00 O ATOM 54 H ASP A 4 -3.740 14.360 -10.754 1.00 0.00 H ATOM 55 HA ASP A 4 -2.584 15.880 -12.034 1.00 0.00 H ATOM 56 HB2 ASP A 4 -3.419 17.307 -9.822 1.00 0.00 H ATOM 57 HB3 ASP A 4 -1.682 17.606 -9.852 1.00 0.00 H ATOM 58 N PHE A 5 -0.530 14.501 -10.100 1.00 0.00 N ATOM 59 CA PHE A 5 0.850 14.074 -9.900 1.00 0.00 C ATOM 60 C PHE A 5 0.908 12.855 -8.987 1.00 0.00 C ATOM 61 O PHE A 5 1.971 12.496 -8.481 1.00 0.00 O ATOM 62 CB PHE A 5 1.666 15.214 -9.287 1.00 0.00 C ATOM 63 CG PHE A 5 3.138 14.948 -9.494 1.00 0.00 C ATOM 64 CD1 PHE A 5 3.774 15.406 -10.655 1.00 0.00 C ATOM 65 CD2 PHE A 5 3.866 14.246 -8.527 1.00 0.00 C ATOM 66 CE1 PHE A 5 5.139 15.161 -10.849 1.00 0.00 C ATOM 67 CE2 PHE A 5 5.231 14.000 -8.721 1.00 0.00 C ATOM 68 CZ PHE A 5 5.867 14.457 -9.881 1.00 0.00 C ATOM 69 H PHE A 5 -1.254 14.012 -9.656 1.00 0.00 H ATOM 70 HA PHE A 5 1.279 13.817 -10.857 1.00 0.00 H ATOM 71 HB2 PHE A 5 1.396 16.146 -9.761 1.00 0.00 H ATOM 72 HB3 PHE A 5 1.458 15.275 -8.229 1.00 0.00 H ATOM 73 HD1 PHE A 5 3.212 15.948 -11.401 1.00 0.00 H ATOM 74 HD2 PHE A 5 3.375 13.893 -7.632 1.00 0.00 H ATOM 75 HE1 PHE A 5 5.630 15.513 -11.743 1.00 0.00 H ATOM 76 HE2 PHE A 5 5.793 13.458 -7.974 1.00 0.00 H ATOM 77 HZ PHE A 5 6.920 14.268 -10.030 1.00 0.00 H ATOM 78 N LEU A 6 -0.243 12.223 -8.780 1.00 0.00 N ATOM 79 CA LEU A 6 -0.317 11.061 -7.901 1.00 0.00 C ATOM 80 C LEU A 6 0.035 11.449 -6.468 1.00 0.00 C ATOM 81 O LEU A 6 -0.002 10.616 -5.563 1.00 0.00 O ATOM 82 CB LEU A 6 0.643 9.975 -8.389 1.00 0.00 C ATOM 83 CG LEU A 6 0.478 9.788 -9.898 1.00 0.00 C ATOM 84 CD1 LEU A 6 1.513 8.780 -10.404 1.00 0.00 C ATOM 85 CD2 LEU A 6 -0.929 9.263 -10.193 1.00 0.00 C ATOM 86 H LEU A 6 -1.055 12.543 -9.224 1.00 0.00 H ATOM 87 HA LEU A 6 -1.324 10.670 -7.921 1.00 0.00 H ATOM 88 HB2 LEU A 6 1.660 10.270 -8.171 1.00 0.00 H ATOM 89 HB3 LEU A 6 0.422 9.046 -7.886 1.00 0.00 H ATOM 90 HG LEU A 6 0.624 10.734 -10.396 1.00 0.00 H ATOM 91 HD11 LEU A 6 1.443 7.871 -9.826 1.00 0.00 H ATOM 92 HD12 LEU A 6 2.503 9.199 -10.299 1.00 0.00 H ATOM 93 HD13 LEU A 6 1.323 8.561 -11.444 1.00 0.00 H ATOM 94 HD21 LEU A 6 -1.631 10.082 -10.171 1.00 0.00 H ATOM 95 HD22 LEU A 6 -1.205 8.532 -9.448 1.00 0.00 H ATOM 96 HD23 LEU A 6 -0.944 8.804 -11.172 1.00 0.00 H ATOM 97 N LEU A 7 0.377 12.717 -6.271 1.00 0.00 N ATOM 98 CA LEU A 7 0.722 13.208 -4.942 1.00 0.00 C ATOM 99 C LEU A 7 -0.043 14.490 -4.628 1.00 0.00 C ATOM 100 O LEU A 7 -0.816 14.478 -3.684 1.00 0.00 O ATOM 101 CB LEU A 7 2.227 13.474 -4.857 1.00 0.00 C ATOM 102 CG LEU A 7 2.703 13.265 -3.419 1.00 0.00 C ATOM 103 CD1 LEU A 7 4.207 13.525 -3.336 1.00 0.00 C ATOM 104 CD2 LEU A 7 1.966 14.236 -2.493 1.00 0.00 C ATOM 105 H LEU A 7 0.399 13.334 -7.032 1.00 0.00 H ATOM 106 HA LEU A 7 0.461 12.456 -4.212 1.00 0.00 H ATOM 107 HB2 LEU A 7 2.750 12.794 -5.513 1.00 0.00 H ATOM 108 HB3 LEU A 7 2.429 14.491 -5.157 1.00 0.00 H ATOM 109 HG LEU A 7 2.496 12.248 -3.117 1.00 0.00 H ATOM 110 HD11 LEU A 7 4.706 13.015 -4.146 1.00 0.00 H ATOM 111 HD12 LEU A 7 4.585 13.158 -2.393 1.00 0.00 H ATOM 112 HD13 LEU A 7 4.394 14.586 -3.410 1.00 0.00 H ATOM 113 HD21 LEU A 7 0.970 13.866 -2.302 1.00 0.00 H ATOM 114 HD22 LEU A 7 1.907 15.206 -2.964 1.00 0.00 H ATOM 115 HD23 LEU A 7 2.504 14.320 -1.560 1.00 0.00 H TER 116 LEU A 7 ENDMDL MODEL 6 ATOM 1 N ILE A 1 -1.578 21.361 -2.928 1.00 0.00 N ATOM 2 CA ILE A 1 -0.694 20.549 -3.810 1.00 0.00 C ATOM 3 C ILE A 1 -1.551 19.693 -4.736 1.00 0.00 C ATOM 4 O ILE A 1 -1.978 18.599 -4.369 1.00 0.00 O ATOM 5 CB ILE A 1 0.197 19.653 -2.948 1.00 0.00 C ATOM 6 CG1 ILE A 1 1.218 20.517 -2.202 1.00 0.00 C ATOM 7 CG2 ILE A 1 0.933 18.652 -3.840 1.00 0.00 C ATOM 8 CD1 ILE A 1 1.933 19.668 -1.150 1.00 0.00 C ATOM 9 H1 ILE A 1 -1.603 20.942 -1.978 1.00 0.00 H ATOM 10 H2 ILE A 1 -2.540 21.379 -3.325 1.00 0.00 H ATOM 11 H3 ILE A 1 -1.210 22.332 -2.867 1.00 0.00 H ATOM 12 HA ILE A 1 -0.075 21.207 -4.402 1.00 0.00 H ATOM 13 HB ILE A 1 -0.414 19.118 -2.234 1.00 0.00 H ATOM 14 HG12 ILE A 1 1.940 20.906 -2.905 1.00 0.00 H ATOM 15 HG13 ILE A 1 0.709 21.336 -1.717 1.00 0.00 H ATOM 16 HG21 ILE A 1 1.345 19.168 -4.696 1.00 0.00 H ATOM 17 HG22 ILE A 1 0.242 17.893 -4.176 1.00 0.00 H ATOM 18 HG23 ILE A 1 1.731 18.190 -3.280 1.00 0.00 H ATOM 19 HD11 ILE A 1 2.782 20.213 -0.765 1.00 0.00 H ATOM 20 HD12 ILE A 1 2.272 18.746 -1.600 1.00 0.00 H ATOM 21 HD13 ILE A 1 1.252 19.446 -0.343 1.00 0.00 H ATOM 22 N ASN A 2 -1.800 20.199 -5.940 1.00 0.00 N ATOM 23 CA ASN A 2 -2.598 19.467 -6.915 1.00 0.00 C ATOM 24 C ASN A 2 -1.764 18.374 -7.578 1.00 0.00 C ATOM 25 O ASN A 2 -0.657 18.627 -8.054 1.00 0.00 O ATOM 26 CB ASN A 2 -3.127 20.426 -7.983 1.00 0.00 C ATOM 27 CG ASN A 2 -2.149 21.578 -8.180 1.00 0.00 C ATOM 28 OD1 ASN A 2 -1.861 22.318 -7.239 1.00 0.00 O ATOM 29 ND2 ASN A 2 -1.615 21.776 -9.355 1.00 0.00 N ATOM 30 H ASN A 2 -1.440 21.081 -6.176 1.00 0.00 H ATOM 31 HA ASN A 2 -3.437 19.010 -6.411 1.00 0.00 H ATOM 32 HB2 ASN A 2 -3.247 19.893 -8.915 1.00 0.00 H ATOM 33 HB3 ASN A 2 -4.083 20.819 -7.669 1.00 0.00 H ATOM 34 HD21 ASN A 2 -1.844 21.185 -10.103 1.00 0.00 H ATOM 35 HD22 ASN A 2 -0.985 22.514 -9.489 1.00 0.00 H ATOM 36 N CYS A 3 -2.304 17.160 -7.607 1.00 0.00 N ATOM 37 CA CYS A 3 -1.601 16.037 -8.217 1.00 0.00 C ATOM 38 C CYS A 3 -2.647 15.115 -8.881 1.00 0.00 C ATOM 39 O CYS A 3 -3.332 14.475 -8.082 1.00 0.00 O ATOM 40 CB CYS A 3 -0.830 15.262 -7.147 1.00 0.00 C ATOM 41 SG CYS A 3 -1.980 14.673 -5.881 1.00 0.00 S ATOM 42 H CYS A 3 -3.190 17.017 -7.213 1.00 0.00 H ATOM 43 HA CYS A 3 -0.900 16.416 -8.946 1.00 0.00 H ATOM 44 HB2 CYS A 3 -0.332 14.419 -7.603 1.00 0.00 H ATOM 45 HB3 CYS A 3 -0.094 15.910 -6.693 1.00 0.00 H ATOM 46 N ASP A 4 -2.801 15.028 -10.198 1.00 0.00 N ATOM 47 CA ASP A 4 -1.968 15.807 -11.107 1.00 0.00 C ATOM 48 C ASP A 4 -0.497 15.453 -10.922 1.00 0.00 C ATOM 49 O ASP A 4 0.383 16.090 -11.503 1.00 0.00 O ATOM 50 CB ASP A 4 -2.172 17.302 -10.851 1.00 0.00 C ATOM 51 CG ASP A 4 -2.890 17.941 -12.036 1.00 0.00 C ATOM 52 OD1 ASP A 4 -2.508 17.655 -13.159 1.00 0.00 O ATOM 53 OD2 ASP A 4 -3.811 18.704 -11.801 1.00 0.00 O ATOM 54 H ASP A 4 -3.486 14.431 -10.565 1.00 0.00 H ATOM 55 HA ASP A 4 -2.257 15.585 -12.123 1.00 0.00 H ATOM 56 HB2 ASP A 4 -2.765 17.434 -9.958 1.00 0.00 H ATOM 57 HB3 ASP A 4 -1.211 17.776 -10.718 1.00 0.00 H ATOM 58 N PHE A 5 -0.236 14.434 -10.110 1.00 0.00 N ATOM 59 CA PHE A 5 1.134 14.000 -9.859 1.00 0.00 C ATOM 60 C PHE A 5 1.154 12.814 -8.901 1.00 0.00 C ATOM 61 O PHE A 5 2.151 12.568 -8.222 1.00 0.00 O ATOM 62 CB PHE A 5 1.947 15.152 -9.266 1.00 0.00 C ATOM 63 CG PHE A 5 3.315 14.653 -8.872 1.00 0.00 C ATOM 64 CD1 PHE A 5 4.236 14.279 -9.858 1.00 0.00 C ATOM 65 CD2 PHE A 5 3.665 14.564 -7.519 1.00 0.00 C ATOM 66 CE1 PHE A 5 5.505 13.815 -9.492 1.00 0.00 C ATOM 67 CE2 PHE A 5 4.934 14.100 -7.152 1.00 0.00 C ATOM 68 CZ PHE A 5 5.854 13.726 -8.139 1.00 0.00 C ATOM 69 H PHE A 5 -0.976 13.966 -9.672 1.00 0.00 H ATOM 70 HA PHE A 5 1.584 13.702 -10.795 1.00 0.00 H ATOM 71 HB2 PHE A 5 2.048 15.938 -10.001 1.00 0.00 H ATOM 72 HB3 PHE A 5 1.440 15.539 -8.394 1.00 0.00 H ATOM 73 HD1 PHE A 5 3.967 14.348 -10.901 1.00 0.00 H ATOM 74 HD2 PHE A 5 2.955 14.852 -6.758 1.00 0.00 H ATOM 75 HE1 PHE A 5 6.215 13.527 -10.253 1.00 0.00 H ATOM 76 HE2 PHE A 5 5.204 14.031 -6.109 1.00 0.00 H ATOM 77 HZ PHE A 5 6.834 13.368 -7.858 1.00 0.00 H ATOM 78 N LEU A 6 0.047 12.082 -8.849 1.00 0.00 N ATOM 79 CA LEU A 6 -0.051 10.921 -7.972 1.00 0.00 C ATOM 80 C LEU A 6 0.209 11.322 -6.524 1.00 0.00 C ATOM 81 O LEU A 6 0.671 10.512 -5.719 1.00 0.00 O ATOM 82 CB LEU A 6 0.962 9.858 -8.399 1.00 0.00 C ATOM 83 CG LEU A 6 0.459 9.149 -9.657 1.00 0.00 C ATOM 84 CD1 LEU A 6 0.387 10.149 -10.812 1.00 0.00 C ATOM 85 CD2 LEU A 6 1.422 8.017 -10.024 1.00 0.00 C ATOM 86 H LEU A 6 -0.718 12.327 -9.412 1.00 0.00 H ATOM 87 HA LEU A 6 -1.044 10.506 -8.048 1.00 0.00 H ATOM 88 HB2 LEU A 6 1.913 10.328 -8.606 1.00 0.00 H ATOM 89 HB3 LEU A 6 1.082 9.136 -7.606 1.00 0.00 H ATOM 90 HG LEU A 6 -0.525 8.741 -9.472 1.00 0.00 H ATOM 91 HD11 LEU A 6 1.251 10.795 -10.784 1.00 0.00 H ATOM 92 HD12 LEU A 6 -0.511 10.743 -10.718 1.00 0.00 H ATOM 93 HD13 LEU A 6 0.368 9.614 -11.751 1.00 0.00 H ATOM 94 HD21 LEU A 6 2.422 8.414 -10.122 1.00 0.00 H ATOM 95 HD22 LEU A 6 1.117 7.573 -10.960 1.00 0.00 H ATOM 96 HD23 LEU A 6 1.408 7.267 -9.248 1.00 0.00 H ATOM 97 N LEU A 7 -0.091 12.574 -6.198 1.00 0.00 N ATOM 98 CA LEU A 7 0.109 13.070 -4.841 1.00 0.00 C ATOM 99 C LEU A 7 -0.855 14.213 -4.540 1.00 0.00 C ATOM 100 O LEU A 7 -1.162 14.411 -3.376 1.00 0.00 O ATOM 101 CB LEU A 7 1.549 13.556 -4.670 1.00 0.00 C ATOM 102 CG LEU A 7 2.074 13.129 -3.298 1.00 0.00 C ATOM 103 CD1 LEU A 7 3.529 13.572 -3.146 1.00 0.00 C ATOM 104 CD2 LEU A 7 1.226 13.783 -2.204 1.00 0.00 C ATOM 105 H LEU A 7 -0.453 13.176 -6.882 1.00 0.00 H ATOM 106 HA LEU A 7 -0.072 12.265 -4.144 1.00 0.00 H ATOM 107 HB2 LEU A 7 2.170 13.124 -5.443 1.00 0.00 H ATOM 108 HB3 LEU A 7 1.578 14.633 -4.744 1.00 0.00 H ATOM 109 HG LEU A 7 2.013 12.054 -3.209 1.00 0.00 H ATOM 110 HD11 LEU A 7 3.581 14.650 -3.159 1.00 0.00 H ATOM 111 HD12 LEU A 7 4.114 13.173 -3.963 1.00 0.00 H ATOM 112 HD13 LEU A 7 3.922 13.204 -2.210 1.00 0.00 H ATOM 113 HD21 LEU A 7 0.318 13.215 -2.064 1.00 0.00 H ATOM 114 HD22 LEU A 7 0.978 14.793 -2.496 1.00 0.00 H ATOM 115 HD23 LEU A 7 1.784 13.803 -1.279 1.00 0.00 H TER 116 LEU A 7 ENDMDL MODEL 7 ATOM 1 N ILE A 1 -1.492 21.438 -3.023 1.00 0.00 N ATOM 2 CA ILE A 1 -0.625 20.608 -3.907 1.00 0.00 C ATOM 3 C ILE A 1 -1.497 19.658 -4.722 1.00 0.00 C ATOM 4 O ILE A 1 -1.795 18.547 -4.287 1.00 0.00 O ATOM 5 CB ILE A 1 0.357 19.808 -3.049 1.00 0.00 C ATOM 6 CG1 ILE A 1 1.331 20.769 -2.362 1.00 0.00 C ATOM 7 CG2 ILE A 1 1.139 18.839 -3.937 1.00 0.00 C ATOM 8 CD1 ILE A 1 2.158 20.004 -1.328 1.00 0.00 C ATOM 9 H1 ILE A 1 -1.350 22.445 -3.243 1.00 0.00 H ATOM 10 H2 ILE A 1 -1.241 21.262 -2.028 1.00 0.00 H ATOM 11 H3 ILE A 1 -2.488 21.189 -3.179 1.00 0.00 H ATOM 12 HA ILE A 1 -0.075 21.252 -4.576 1.00 0.00 H ATOM 13 HB ILE A 1 -0.190 19.251 -2.302 1.00 0.00 H ATOM 14 HG12 ILE A 1 1.989 21.203 -3.102 1.00 0.00 H ATOM 15 HG13 ILE A 1 0.776 21.552 -1.869 1.00 0.00 H ATOM 16 HG21 ILE A 1 1.953 18.410 -3.371 1.00 0.00 H ATOM 17 HG22 ILE A 1 1.534 19.371 -4.789 1.00 0.00 H ATOM 18 HG23 ILE A 1 0.482 18.052 -4.276 1.00 0.00 H ATOM 19 HD11 ILE A 1 1.517 19.687 -0.518 1.00 0.00 H ATOM 20 HD12 ILE A 1 2.935 20.647 -0.941 1.00 0.00 H ATOM 21 HD13 ILE A 1 2.606 19.138 -1.793 1.00 0.00 H ATOM 22 N ASN A 2 -1.903 20.104 -5.907 1.00 0.00 N ATOM 23 CA ASN A 2 -2.736 19.283 -6.777 1.00 0.00 C ATOM 24 C ASN A 2 -1.884 18.267 -7.530 1.00 0.00 C ATOM 25 O ASN A 2 -0.855 18.612 -8.110 1.00 0.00 O ATOM 26 CB ASN A 2 -3.479 20.171 -7.777 1.00 0.00 C ATOM 27 CG ASN A 2 -3.783 21.525 -7.147 1.00 0.00 C ATOM 28 OD1 ASN A 2 -3.749 21.664 -5.924 1.00 0.00 O ATOM 29 ND2 ASN A 2 -4.081 22.539 -7.913 1.00 0.00 N ATOM 30 H ASN A 2 -1.636 21.001 -6.200 1.00 0.00 H ATOM 31 HA ASN A 2 -3.460 18.756 -6.173 1.00 0.00 H ATOM 32 HB2 ASN A 2 -2.866 20.312 -8.655 1.00 0.00 H ATOM 33 HB3 ASN A 2 -4.405 19.692 -8.061 1.00 0.00 H ATOM 34 HD21 ASN A 2 -4.107 22.427 -8.886 1.00 0.00 H ATOM 35 HD22 ASN A 2 -4.277 23.413 -7.515 1.00 0.00 H ATOM 36 N CYS A 3 -2.320 17.011 -7.518 1.00 0.00 N ATOM 37 CA CYS A 3 -1.596 15.954 -8.213 1.00 0.00 C ATOM 38 C CYS A 3 -2.627 15.080 -8.960 1.00 0.00 C ATOM 39 O CYS A 3 -3.335 14.405 -8.212 1.00 0.00 O ATOM 40 CB CYS A 3 -0.825 15.098 -7.205 1.00 0.00 C ATOM 41 SG CYS A 3 -1.981 14.391 -6.006 1.00 0.00 S ATOM 42 H CYS A 3 -3.143 16.792 -7.032 1.00 0.00 H ATOM 43 HA CYS A 3 -0.892 16.404 -8.898 1.00 0.00 H ATOM 44 HB2 CYS A 3 -0.314 14.302 -7.725 1.00 0.00 H ATOM 45 HB3 CYS A 3 -0.102 15.714 -6.690 1.00 0.00 H ATOM 46 N ASP A 4 -2.750 15.064 -10.283 1.00 0.00 N ATOM 47 CA ASP A 4 -1.891 15.883 -11.131 1.00 0.00 C ATOM 48 C ASP A 4 -0.428 15.498 -10.941 1.00 0.00 C ATOM 49 O ASP A 4 0.466 16.109 -11.526 1.00 0.00 O ATOM 50 CB ASP A 4 -2.080 17.362 -10.790 1.00 0.00 C ATOM 51 CG ASP A 4 -2.750 18.084 -11.955 1.00 0.00 C ATOM 52 OD1 ASP A 4 -2.340 17.857 -13.081 1.00 0.00 O ATOM 53 OD2 ASP A 4 -3.664 18.852 -11.703 1.00 0.00 O ATOM 54 H ASP A 4 -3.430 14.492 -10.697 1.00 0.00 H ATOM 55 HA ASP A 4 -2.164 15.726 -12.163 1.00 0.00 H ATOM 56 HB2 ASP A 4 -2.698 17.451 -9.909 1.00 0.00 H ATOM 57 HB3 ASP A 4 -1.116 17.812 -10.599 1.00 0.00 H ATOM 58 N PHE A 5 -0.190 14.480 -10.119 1.00 0.00 N ATOM 59 CA PHE A 5 1.169 14.013 -9.871 1.00 0.00 C ATOM 60 C PHE A 5 1.156 12.785 -8.967 1.00 0.00 C ATOM 61 O PHE A 5 2.192 12.378 -8.441 1.00 0.00 O ATOM 62 CB PHE A 5 1.991 15.124 -9.215 1.00 0.00 C ATOM 63 CG PHE A 5 3.456 14.759 -9.259 1.00 0.00 C ATOM 64 CD1 PHE A 5 4.202 15.000 -10.420 1.00 0.00 C ATOM 65 CD2 PHE A 5 4.068 14.182 -8.141 1.00 0.00 C ATOM 66 CE1 PHE A 5 5.560 14.662 -10.461 1.00 0.00 C ATOM 67 CE2 PHE A 5 5.426 13.844 -8.182 1.00 0.00 C ATOM 68 CZ PHE A 5 6.172 14.084 -9.343 1.00 0.00 C ATOM 69 H PHE A 5 -0.941 14.037 -9.673 1.00 0.00 H ATOM 70 HA PHE A 5 1.628 13.751 -10.813 1.00 0.00 H ATOM 71 HB2 PHE A 5 1.834 16.050 -9.747 1.00 0.00 H ATOM 72 HB3 PHE A 5 1.682 15.241 -8.187 1.00 0.00 H ATOM 73 HD1 PHE A 5 3.730 15.446 -11.282 1.00 0.00 H ATOM 74 HD2 PHE A 5 3.493 13.996 -7.246 1.00 0.00 H ATOM 75 HE1 PHE A 5 6.135 14.847 -11.356 1.00 0.00 H ATOM 76 HE2 PHE A 5 5.898 13.398 -7.319 1.00 0.00 H ATOM 77 HZ PHE A 5 7.220 13.823 -9.375 1.00 0.00 H ATOM 78 N LEU A 6 -0.023 12.198 -8.790 1.00 0.00 N ATOM 79 CA LEU A 6 -0.161 11.025 -7.936 1.00 0.00 C ATOM 80 C LEU A 6 -0.202 11.432 -6.467 1.00 0.00 C ATOM 81 O LEU A 6 -0.638 10.663 -5.611 1.00 0.00 O ATOM 82 CB LEU A 6 1.010 10.067 -8.170 1.00 0.00 C ATOM 83 CG LEU A 6 0.508 8.623 -8.122 1.00 0.00 C ATOM 84 CD1 LEU A 6 1.636 7.676 -8.532 1.00 0.00 C ATOM 85 CD2 LEU A 6 0.055 8.290 -6.699 1.00 0.00 C ATOM 86 H LEU A 6 -0.813 12.560 -9.243 1.00 0.00 H ATOM 87 HA LEU A 6 -1.080 10.516 -8.184 1.00 0.00 H ATOM 88 HB2 LEU A 6 1.448 10.265 -9.137 1.00 0.00 H ATOM 89 HB3 LEU A 6 1.753 10.214 -7.401 1.00 0.00 H ATOM 90 HG LEU A 6 -0.323 8.509 -8.802 1.00 0.00 H ATOM 91 HD11 LEU A 6 1.864 7.820 -9.577 1.00 0.00 H ATOM 92 HD12 LEU A 6 1.325 6.654 -8.368 1.00 0.00 H ATOM 93 HD13 LEU A 6 2.515 7.885 -7.939 1.00 0.00 H ATOM 94 HD21 LEU A 6 0.700 8.788 -5.989 1.00 0.00 H ATOM 95 HD22 LEU A 6 0.107 7.222 -6.545 1.00 0.00 H ATOM 96 HD23 LEU A 6 -0.962 8.625 -6.556 1.00 0.00 H ATOM 97 N LEU A 7 0.254 12.648 -6.184 1.00 0.00 N ATOM 98 CA LEU A 7 0.265 13.148 -4.813 1.00 0.00 C ATOM 99 C LEU A 7 -0.905 14.097 -4.580 1.00 0.00 C ATOM 100 O LEU A 7 -1.335 14.207 -3.444 1.00 0.00 O ATOM 101 CB LEU A 7 1.580 13.879 -4.534 1.00 0.00 C ATOM 102 CG LEU A 7 2.067 13.535 -3.126 1.00 0.00 C ATOM 103 CD1 LEU A 7 3.405 14.229 -2.863 1.00 0.00 C ATOM 104 CD2 LEU A 7 1.036 14.011 -2.100 1.00 0.00 C ATOM 105 H LEU A 7 0.590 13.217 -6.906 1.00 0.00 H ATOM 106 HA LEU A 7 0.181 12.312 -4.135 1.00 0.00 H ATOM 107 HB2 LEU A 7 2.322 13.571 -5.257 1.00 0.00 H ATOM 108 HB3 LEU A 7 1.424 14.944 -4.608 1.00 0.00 H ATOM 109 HG LEU A 7 2.195 12.465 -3.040 1.00 0.00 H ATOM 110 HD11 LEU A 7 4.125 13.916 -3.605 1.00 0.00 H ATOM 111 HD12 LEU A 7 3.762 13.963 -1.879 1.00 0.00 H ATOM 112 HD13 LEU A 7 3.271 15.300 -2.921 1.00 0.00 H ATOM 113 HD21 LEU A 7 0.239 13.286 -2.028 1.00 0.00 H ATOM 114 HD22 LEU A 7 0.631 14.962 -2.414 1.00 0.00 H ATOM 115 HD23 LEU A 7 1.511 14.122 -1.137 1.00 0.00 H TER 116 LEU A 7 ENDMDL MODEL 8 ATOM 1 N ILE A 1 -1.326 21.279 -2.619 1.00 0.00 N ATOM 2 CA ILE A 1 -0.810 21.007 -3.991 1.00 0.00 C ATOM 3 C ILE A 1 -1.740 20.023 -4.694 1.00 0.00 C ATOM 4 O ILE A 1 -2.322 19.143 -4.060 1.00 0.00 O ATOM 5 CB ILE A 1 0.598 20.420 -3.897 1.00 0.00 C ATOM 6 CG1 ILE A 1 0.519 18.993 -3.348 1.00 0.00 C ATOM 7 CG2 ILE A 1 1.449 21.279 -2.960 1.00 0.00 C ATOM 8 CD1 ILE A 1 1.932 18.457 -3.112 1.00 0.00 C ATOM 9 H1 ILE A 1 -2.364 21.323 -2.640 1.00 0.00 H ATOM 10 H2 ILE A 1 -0.946 22.187 -2.280 1.00 0.00 H ATOM 11 H3 ILE A 1 -1.026 20.517 -1.979 1.00 0.00 H ATOM 12 HA ILE A 1 -0.778 21.931 -4.551 1.00 0.00 H ATOM 13 HB ILE A 1 1.048 20.405 -4.879 1.00 0.00 H ATOM 14 HG12 ILE A 1 -0.026 18.997 -2.415 1.00 0.00 H ATOM 15 HG13 ILE A 1 0.010 18.361 -4.061 1.00 0.00 H ATOM 16 HG21 ILE A 1 2.484 20.981 -3.040 1.00 0.00 H ATOM 17 HG22 ILE A 1 1.112 21.142 -1.942 1.00 0.00 H ATOM 18 HG23 ILE A 1 1.350 22.318 -3.235 1.00 0.00 H ATOM 19 HD11 ILE A 1 2.556 18.705 -3.958 1.00 0.00 H ATOM 20 HD12 ILE A 1 1.895 17.384 -2.994 1.00 0.00 H ATOM 21 HD13 ILE A 1 2.342 18.904 -2.220 1.00 0.00 H ATOM 22 N ASN A 2 -1.872 20.178 -6.007 1.00 0.00 N ATOM 23 CA ASN A 2 -2.731 19.294 -6.788 1.00 0.00 C ATOM 24 C ASN A 2 -1.893 18.285 -7.568 1.00 0.00 C ATOM 25 O ASN A 2 -0.907 18.647 -8.211 1.00 0.00 O ATOM 26 CB ASN A 2 -3.579 20.114 -7.760 1.00 0.00 C ATOM 27 CG ASN A 2 -2.797 21.334 -8.234 1.00 0.00 C ATOM 28 OD1 ASN A 2 -2.286 22.101 -7.418 1.00 0.00 O ATOM 29 ND2 ASN A 2 -2.673 21.560 -9.514 1.00 0.00 N ATOM 30 H ASN A 2 -1.385 20.898 -6.460 1.00 0.00 H ATOM 31 HA ASN A 2 -3.387 18.760 -6.117 1.00 0.00 H ATOM 32 HB2 ASN A 2 -3.842 19.503 -8.611 1.00 0.00 H ATOM 33 HB3 ASN A 2 -4.480 20.440 -7.262 1.00 0.00 H ATOM 34 HD21 ASN A 2 -3.080 20.949 -10.161 1.00 0.00 H ATOM 35 HD22 ASN A 2 -2.171 22.342 -9.826 1.00 0.00 H ATOM 36 N CYS A 3 -2.291 17.019 -7.506 1.00 0.00 N ATOM 37 CA CYS A 3 -1.576 15.967 -8.220 1.00 0.00 C ATOM 38 C CYS A 3 -2.617 15.098 -8.962 1.00 0.00 C ATOM 39 O CYS A 3 -3.339 14.450 -8.203 1.00 0.00 O ATOM 40 CB CYS A 3 -0.788 15.106 -7.233 1.00 0.00 C ATOM 41 SG CYS A 3 -1.915 14.428 -5.990 1.00 0.00 S ATOM 42 H CYS A 3 -3.079 16.787 -6.970 1.00 0.00 H ATOM 43 HA CYS A 3 -0.885 16.423 -8.914 1.00 0.00 H ATOM 44 HB2 CYS A 3 -0.308 14.298 -7.763 1.00 0.00 H ATOM 45 HB3 CYS A 3 -0.038 15.712 -6.745 1.00 0.00 H ATOM 46 N ASP A 4 -2.735 15.055 -10.285 1.00 0.00 N ATOM 47 CA ASP A 4 -1.858 15.840 -11.145 1.00 0.00 C ATOM 48 C ASP A 4 -0.401 15.445 -10.930 1.00 0.00 C ATOM 49 O ASP A 4 0.508 16.054 -11.497 1.00 0.00 O ATOM 50 CB ASP A 4 -2.033 17.331 -10.848 1.00 0.00 C ATOM 51 CG ASP A 4 -2.694 18.026 -12.034 1.00 0.00 C ATOM 52 OD1 ASP A 4 -3.670 17.494 -12.537 1.00 0.00 O ATOM 53 OD2 ASP A 4 -2.216 19.079 -12.421 1.00 0.00 O ATOM 54 H ASP A 4 -3.422 14.486 -10.689 1.00 0.00 H ATOM 55 HA ASP A 4 -2.123 15.658 -12.175 1.00 0.00 H ATOM 56 HB2 ASP A 4 -2.652 17.451 -9.971 1.00 0.00 H ATOM 57 HB3 ASP A 4 -1.066 17.776 -10.668 1.00 0.00 H ATOM 58 N PHE A 5 -0.185 14.422 -10.110 1.00 0.00 N ATOM 59 CA PHE A 5 1.167 13.947 -9.837 1.00 0.00 C ATOM 60 C PHE A 5 1.129 12.721 -8.930 1.00 0.00 C ATOM 61 O PHE A 5 2.140 12.346 -8.335 1.00 0.00 O ATOM 62 CB PHE A 5 1.985 15.054 -9.168 1.00 0.00 C ATOM 63 CG PHE A 5 3.457 14.748 -9.312 1.00 0.00 C ATOM 64 CD1 PHE A 5 4.158 15.201 -10.435 1.00 0.00 C ATOM 65 CD2 PHE A 5 4.118 14.013 -8.322 1.00 0.00 C ATOM 66 CE1 PHE A 5 5.524 14.918 -10.568 1.00 0.00 C ATOM 67 CE2 PHE A 5 5.483 13.730 -8.454 1.00 0.00 C ATOM 68 CZ PHE A 5 6.186 14.182 -9.578 1.00 0.00 C ATOM 69 H PHE A 5 -0.947 13.980 -9.682 1.00 0.00 H ATOM 70 HA PHE A 5 1.639 13.679 -10.769 1.00 0.00 H ATOM 71 HB2 PHE A 5 1.764 15.999 -9.643 1.00 0.00 H ATOM 72 HB3 PHE A 5 1.729 15.107 -8.122 1.00 0.00 H ATOM 73 HD1 PHE A 5 3.649 15.768 -11.199 1.00 0.00 H ATOM 74 HD2 PHE A 5 3.576 13.664 -7.455 1.00 0.00 H ATOM 75 HE1 PHE A 5 6.066 15.267 -11.435 1.00 0.00 H ATOM 76 HE2 PHE A 5 5.993 13.162 -7.691 1.00 0.00 H ATOM 77 HZ PHE A 5 7.238 13.964 -9.680 1.00 0.00 H ATOM 78 N LEU A 6 -0.042 12.101 -8.828 1.00 0.00 N ATOM 79 CA LEU A 6 -0.203 10.929 -7.976 1.00 0.00 C ATOM 80 C LEU A 6 -0.139 11.324 -6.503 1.00 0.00 C ATOM 81 O LEU A 6 -0.414 10.511 -5.621 1.00 0.00 O ATOM 82 CB LEU A 6 0.895 9.907 -8.279 1.00 0.00 C ATOM 83 CG LEU A 6 0.964 9.665 -9.787 1.00 0.00 C ATOM 84 CD1 LEU A 6 2.173 8.784 -10.109 1.00 0.00 C ATOM 85 CD2 LEU A 6 -0.314 8.963 -10.251 1.00 0.00 C ATOM 86 H LEU A 6 -0.810 12.437 -9.335 1.00 0.00 H ATOM 87 HA LEU A 6 -1.163 10.478 -8.176 1.00 0.00 H ATOM 88 HB2 LEU A 6 1.845 10.285 -7.930 1.00 0.00 H ATOM 89 HB3 LEU A 6 0.670 8.977 -7.777 1.00 0.00 H ATOM 90 HG LEU A 6 1.064 10.611 -10.299 1.00 0.00 H ATOM 91 HD11 LEU A 6 2.157 7.907 -9.478 1.00 0.00 H ATOM 92 HD12 LEU A 6 3.082 9.340 -9.928 1.00 0.00 H ATOM 93 HD13 LEU A 6 2.134 8.483 -11.145 1.00 0.00 H ATOM 94 HD21 LEU A 6 -0.613 8.236 -9.510 1.00 0.00 H ATOM 95 HD22 LEU A 6 -0.131 8.465 -11.191 1.00 0.00 H ATOM 96 HD23 LEU A 6 -1.100 9.693 -10.376 1.00 0.00 H ATOM 97 N LEU A 7 0.224 12.576 -6.248 1.00 0.00 N ATOM 98 CA LEU A 7 0.307 13.072 -4.879 1.00 0.00 C ATOM 99 C LEU A 7 -0.793 14.093 -4.610 1.00 0.00 C ATOM 100 O LEU A 7 -1.162 14.249 -3.458 1.00 0.00 O ATOM 101 CB LEU A 7 1.675 13.716 -4.639 1.00 0.00 C ATOM 102 CG LEU A 7 2.649 12.662 -4.110 1.00 0.00 C ATOM 103 CD1 LEU A 7 2.754 11.513 -5.115 1.00 0.00 C ATOM 104 CD2 LEU A 7 4.028 13.298 -3.916 1.00 0.00 C ATOM 105 H LEU A 7 0.439 13.177 -6.991 1.00 0.00 H ATOM 106 HA LEU A 7 0.189 12.242 -4.197 1.00 0.00 H ATOM 107 HB2 LEU A 7 2.049 14.120 -5.568 1.00 0.00 H ATOM 108 HB3 LEU A 7 1.577 14.509 -3.913 1.00 0.00 H ATOM 109 HG LEU A 7 2.290 12.282 -3.165 1.00 0.00 H ATOM 110 HD11 LEU A 7 1.905 10.857 -5.000 1.00 0.00 H ATOM 111 HD12 LEU A 7 3.664 10.960 -4.934 1.00 0.00 H ATOM 112 HD13 LEU A 7 2.769 11.913 -6.118 1.00 0.00 H ATOM 113 HD21 LEU A 7 3.954 14.111 -3.211 1.00 0.00 H ATOM 114 HD22 LEU A 7 4.387 13.674 -4.863 1.00 0.00 H ATOM 115 HD23 LEU A 7 4.717 12.556 -3.540 1.00 0.00 H TER 116 LEU A 7 ENDMDL MODEL 9 ATOM 1 N ILE A 1 -1.709 22.085 -2.828 1.00 0.00 N ATOM 2 CA ILE A 1 -0.986 21.165 -3.751 1.00 0.00 C ATOM 3 C ILE A 1 -1.998 20.394 -4.591 1.00 0.00 C ATOM 4 O ILE A 1 -3.143 20.205 -4.184 1.00 0.00 O ATOM 5 CB ILE A 1 -0.136 20.191 -2.932 1.00 0.00 C ATOM 6 CG1 ILE A 1 0.498 19.160 -3.868 1.00 0.00 C ATOM 7 CG2 ILE A 1 -1.021 19.475 -1.911 1.00 0.00 C ATOM 8 CD1 ILE A 1 1.560 18.365 -3.106 1.00 0.00 C ATOM 9 H1 ILE A 1 -1.939 22.968 -3.327 1.00 0.00 H ATOM 10 H2 ILE A 1 -1.106 22.298 -2.007 1.00 0.00 H ATOM 11 H3 ILE A 1 -2.588 21.633 -2.505 1.00 0.00 H ATOM 12 HA ILE A 1 -0.345 21.742 -4.401 1.00 0.00 H ATOM 13 HB ILE A 1 0.640 20.738 -2.416 1.00 0.00 H ATOM 14 HG12 ILE A 1 -0.265 18.487 -4.231 1.00 0.00 H ATOM 15 HG13 ILE A 1 0.959 19.666 -4.702 1.00 0.00 H ATOM 16 HG21 ILE A 1 -1.462 20.202 -1.244 1.00 0.00 H ATOM 17 HG22 ILE A 1 -0.423 18.780 -1.341 1.00 0.00 H ATOM 18 HG23 ILE A 1 -1.804 18.938 -2.426 1.00 0.00 H ATOM 19 HD11 ILE A 1 1.812 17.475 -3.664 1.00 0.00 H ATOM 20 HD12 ILE A 1 1.176 18.085 -2.138 1.00 0.00 H ATOM 21 HD13 ILE A 1 2.444 18.974 -2.981 1.00 0.00 H ATOM 22 N ASN A 2 -1.565 19.950 -5.767 1.00 0.00 N ATOM 23 CA ASN A 2 -2.441 19.194 -6.656 1.00 0.00 C ATOM 24 C ASN A 2 -1.644 18.155 -7.436 1.00 0.00 C ATOM 25 O ASN A 2 -0.585 18.456 -7.988 1.00 0.00 O ATOM 26 CB ASN A 2 -3.140 20.143 -7.631 1.00 0.00 C ATOM 27 CG ASN A 2 -2.195 21.272 -8.027 1.00 0.00 C ATOM 28 OD1 ASN A 2 -0.995 21.200 -7.763 1.00 0.00 O ATOM 29 ND2 ASN A 2 -2.667 22.318 -8.649 1.00 0.00 N ATOM 30 H ASN A 2 -0.643 20.134 -6.042 1.00 0.00 H ATOM 31 HA ASN A 2 -3.190 18.689 -6.064 1.00 0.00 H ATOM 32 HB2 ASN A 2 -3.435 19.595 -8.515 1.00 0.00 H ATOM 33 HB3 ASN A 2 -4.017 20.560 -7.159 1.00 0.00 H ATOM 34 HD21 ASN A 2 -3.623 22.373 -8.858 1.00 0.00 H ATOM 35 HD22 ASN A 2 -2.066 23.048 -8.907 1.00 0.00 H ATOM 36 N CYS A 3 -2.160 16.931 -7.480 1.00 0.00 N ATOM 37 CA CYS A 3 -1.493 15.857 -8.208 1.00 0.00 C ATOM 38 C CYS A 3 -2.587 15.037 -8.939 1.00 0.00 C ATOM 39 O CYS A 3 -3.289 14.366 -8.183 1.00 0.00 O ATOM 40 CB CYS A 3 -0.718 14.969 -7.233 1.00 0.00 C ATOM 41 SG CYS A 3 -1.868 14.227 -6.048 1.00 0.00 S ATOM 42 H CYS A 3 -3.002 16.747 -7.016 1.00 0.00 H ATOM 43 HA CYS A 3 -0.798 16.289 -8.912 1.00 0.00 H ATOM 44 HB2 CYS A 3 -0.213 14.188 -7.781 1.00 0.00 H ATOM 45 HB3 CYS A 3 0.010 15.565 -6.703 1.00 0.00 H ATOM 46 N ASP A 4 -2.762 15.064 -10.256 1.00 0.00 N ATOM 47 CA ASP A 4 -1.907 15.877 -11.114 1.00 0.00 C ATOM 48 C ASP A 4 -0.452 15.435 -10.994 1.00 0.00 C ATOM 49 O ASP A 4 0.438 16.024 -11.609 1.00 0.00 O ATOM 50 CB ASP A 4 -2.029 17.351 -10.725 1.00 0.00 C ATOM 51 CG ASP A 4 -2.715 18.130 -11.842 1.00 0.00 C ATOM 52 OD1 ASP A 4 -3.738 17.667 -12.318 1.00 0.00 O ATOM 53 OD2 ASP A 4 -2.208 19.179 -12.205 1.00 0.00 O ATOM 54 H ASP A 4 -3.478 14.529 -10.658 1.00 0.00 H ATOM 55 HA ASP A 4 -2.227 15.759 -12.139 1.00 0.00 H ATOM 56 HB2 ASP A 4 -2.609 17.436 -9.818 1.00 0.00 H ATOM 57 HB3 ASP A 4 -1.043 17.760 -10.559 1.00 0.00 H ATOM 58 N PHE A 5 -0.219 14.395 -10.201 1.00 0.00 N ATOM 59 CA PHE A 5 1.132 13.876 -10.017 1.00 0.00 C ATOM 60 C PHE A 5 1.112 12.629 -9.139 1.00 0.00 C ATOM 61 O PHE A 5 2.156 12.152 -8.696 1.00 0.00 O ATOM 62 CB PHE A 5 2.018 14.942 -9.371 1.00 0.00 C ATOM 63 CG PHE A 5 3.469 14.624 -9.644 1.00 0.00 C ATOM 64 CD1 PHE A 5 4.090 15.120 -10.798 1.00 0.00 C ATOM 65 CD2 PHE A 5 4.194 13.833 -8.745 1.00 0.00 C ATOM 66 CE1 PHE A 5 5.434 14.825 -11.051 1.00 0.00 C ATOM 67 CE2 PHE A 5 5.539 13.539 -8.999 1.00 0.00 C ATOM 68 CZ PHE A 5 6.159 14.035 -10.151 1.00 0.00 C ATOM 69 H PHE A 5 -0.966 13.971 -9.730 1.00 0.00 H ATOM 70 HA PHE A 5 1.542 13.618 -10.981 1.00 0.00 H ATOM 71 HB2 PHE A 5 1.777 15.910 -9.786 1.00 0.00 H ATOM 72 HB3 PHE A 5 1.849 14.954 -8.305 1.00 0.00 H ATOM 73 HD1 PHE A 5 3.530 15.731 -11.492 1.00 0.00 H ATOM 74 HD2 PHE A 5 3.715 13.451 -7.856 1.00 0.00 H ATOM 75 HE1 PHE A 5 5.912 15.208 -11.940 1.00 0.00 H ATOM 76 HE2 PHE A 5 6.098 12.928 -8.305 1.00 0.00 H ATOM 77 HZ PHE A 5 7.197 13.807 -10.347 1.00 0.00 H ATOM 78 N LEU A 6 -0.084 12.105 -8.891 1.00 0.00 N ATOM 79 CA LEU A 6 -0.231 10.924 -8.047 1.00 0.00 C ATOM 80 C LEU A 6 -0.289 11.321 -6.575 1.00 0.00 C ATOM 81 O LEU A 6 -0.886 10.622 -5.757 1.00 0.00 O ATOM 82 CB LEU A 6 0.943 9.970 -8.275 1.00 0.00 C ATOM 83 CG LEU A 6 0.496 8.534 -8.000 1.00 0.00 C ATOM 84 CD1 LEU A 6 1.198 7.585 -8.973 1.00 0.00 C ATOM 85 CD2 LEU A 6 0.863 8.153 -6.564 1.00 0.00 C ATOM 86 H LEU A 6 -0.882 12.519 -9.282 1.00 0.00 H ATOM 87 HA LEU A 6 -1.147 10.417 -8.310 1.00 0.00 H ATOM 88 HB2 LEU A 6 1.281 10.053 -9.299 1.00 0.00 H ATOM 89 HB3 LEU A 6 1.751 10.228 -7.607 1.00 0.00 H ATOM 90 HG LEU A 6 -0.574 8.459 -8.132 1.00 0.00 H ATOM 91 HD11 LEU A 6 0.821 7.752 -9.972 1.00 0.00 H ATOM 92 HD12 LEU A 6 1.005 6.564 -8.682 1.00 0.00 H ATOM 93 HD13 LEU A 6 2.260 7.771 -8.954 1.00 0.00 H ATOM 94 HD21 LEU A 6 0.299 7.282 -6.267 1.00 0.00 H ATOM 95 HD22 LEU A 6 0.632 8.975 -5.903 1.00 0.00 H ATOM 96 HD23 LEU A 6 1.920 7.934 -6.509 1.00 0.00 H ATOM 97 N LEU A 7 0.337 12.447 -6.246 1.00 0.00 N ATOM 98 CA LEU A 7 0.353 12.925 -4.869 1.00 0.00 C ATOM 99 C LEU A 7 -0.789 13.909 -4.630 1.00 0.00 C ATOM 100 O LEU A 7 -1.207 14.036 -3.491 1.00 0.00 O ATOM 101 CB LEU A 7 1.688 13.608 -4.569 1.00 0.00 C ATOM 102 CG LEU A 7 2.753 12.547 -4.289 1.00 0.00 C ATOM 103 CD1 LEU A 7 2.453 11.862 -2.953 1.00 0.00 C ATOM 104 CD2 LEU A 7 2.740 11.504 -5.409 1.00 0.00 C ATOM 105 H LEU A 7 0.795 12.963 -6.941 1.00 0.00 H ATOM 106 HA LEU A 7 0.235 12.082 -4.204 1.00 0.00 H ATOM 107 HB2 LEU A 7 1.987 14.203 -5.420 1.00 0.00 H ATOM 108 HB3 LEU A 7 1.581 14.245 -3.704 1.00 0.00 H ATOM 109 HG LEU A 7 3.725 13.016 -4.241 1.00 0.00 H ATOM 110 HD11 LEU A 7 3.380 11.594 -2.470 1.00 0.00 H ATOM 111 HD12 LEU A 7 1.866 10.972 -3.129 1.00 0.00 H ATOM 112 HD13 LEU A 7 1.899 12.538 -2.319 1.00 0.00 H ATOM 113 HD21 LEU A 7 2.667 12.003 -6.364 1.00 0.00 H ATOM 114 HD22 LEU A 7 1.892 10.848 -5.280 1.00 0.00 H ATOM 115 HD23 LEU A 7 3.651 10.926 -5.373 1.00 0.00 H TER 116 LEU A 7 ENDMDL MODEL 10 ATOM 1 N ILE A 1 -1.649 22.184 -2.918 1.00 0.00 N ATOM 2 CA ILE A 1 -0.962 21.193 -3.795 1.00 0.00 C ATOM 3 C ILE A 1 -1.999 20.456 -4.635 1.00 0.00 C ATOM 4 O ILE A 1 -3.189 20.461 -4.317 1.00 0.00 O ATOM 5 CB ILE A 1 -0.189 20.198 -2.928 1.00 0.00 C ATOM 6 CG1 ILE A 1 0.517 19.181 -3.828 1.00 0.00 C ATOM 7 CG2 ILE A 1 -1.160 19.467 -1.999 1.00 0.00 C ATOM 8 CD1 ILE A 1 1.561 18.416 -3.012 1.00 0.00 C ATOM 9 H1 ILE A 1 -2.667 22.187 -3.130 1.00 0.00 H ATOM 10 H2 ILE A 1 -1.255 23.131 -3.091 1.00 0.00 H ATOM 11 H3 ILE A 1 -1.506 21.923 -1.923 1.00 0.00 H ATOM 12 HA ILE A 1 -0.274 21.710 -4.448 1.00 0.00 H ATOM 13 HB ILE A 1 0.543 20.729 -2.338 1.00 0.00 H ATOM 14 HG12 ILE A 1 -0.210 18.487 -4.225 1.00 0.00 H ATOM 15 HG13 ILE A 1 1.006 19.697 -4.640 1.00 0.00 H ATOM 16 HG21 ILE A 1 -1.831 20.182 -1.545 1.00 0.00 H ATOM 17 HG22 ILE A 1 -0.604 18.956 -1.228 1.00 0.00 H ATOM 18 HG23 ILE A 1 -1.732 18.749 -2.568 1.00 0.00 H ATOM 19 HD11 ILE A 1 1.861 17.530 -3.551 1.00 0.00 H ATOM 20 HD12 ILE A 1 1.137 18.133 -2.060 1.00 0.00 H ATOM 21 HD13 ILE A 1 2.423 19.047 -2.850 1.00 0.00 H ATOM 22 N ASN A 2 -1.541 19.822 -5.710 1.00 0.00 N ATOM 23 CA ASN A 2 -2.439 19.081 -6.588 1.00 0.00 C ATOM 24 C ASN A 2 -1.667 18.030 -7.380 1.00 0.00 C ATOM 25 O ASN A 2 -0.601 18.312 -7.928 1.00 0.00 O ATOM 26 CB ASN A 2 -3.135 20.041 -7.554 1.00 0.00 C ATOM 27 CG ASN A 2 -4.011 21.018 -6.776 1.00 0.00 C ATOM 28 OD1 ASN A 2 -4.844 20.601 -5.972 1.00 0.00 O ATOM 29 ND2 ASN A 2 -3.871 22.301 -6.970 1.00 0.00 N ATOM 30 H ASN A 2 -0.584 19.854 -5.916 1.00 0.00 H ATOM 31 HA ASN A 2 -3.187 18.586 -5.988 1.00 0.00 H ATOM 32 HB2 ASN A 2 -2.391 20.591 -8.111 1.00 0.00 H ATOM 33 HB3 ASN A 2 -3.751 19.476 -8.239 1.00 0.00 H ATOM 34 HD21 ASN A 2 -3.207 22.631 -7.611 1.00 0.00 H ATOM 35 HD22 ASN A 2 -4.430 22.935 -6.474 1.00 0.00 H ATOM 36 N CYS A 3 -2.213 16.820 -7.436 1.00 0.00 N ATOM 37 CA CYS A 3 -1.573 15.738 -8.177 1.00 0.00 C ATOM 38 C CYS A 3 -2.645 15.031 -9.035 1.00 0.00 C ATOM 39 O CYS A 3 -3.408 14.332 -8.368 1.00 0.00 O ATOM 40 CB CYS A 3 -0.966 14.726 -7.203 1.00 0.00 C ATOM 41 SG CYS A 3 -1.413 15.177 -5.508 1.00 0.00 S ATOM 42 H CYS A 3 -3.058 16.650 -6.973 1.00 0.00 H ATOM 43 HA CYS A 3 -0.783 16.150 -8.787 1.00 0.00 H ATOM 44 HB2 CYS A 3 -1.348 13.740 -7.426 1.00 0.00 H ATOM 45 HB3 CYS A 3 0.109 14.728 -7.305 1.00 0.00 H ATOM 46 N ASP A 4 -2.745 15.156 -10.355 1.00 0.00 N ATOM 47 CA ASP A 4 -1.819 15.996 -11.105 1.00 0.00 C ATOM 48 C ASP A 4 -0.394 15.471 -10.974 1.00 0.00 C ATOM 49 O ASP A 4 0.526 15.978 -11.617 1.00 0.00 O ATOM 50 CB ASP A 4 -1.884 17.435 -10.589 1.00 0.00 C ATOM 51 CG ASP A 4 -2.394 18.361 -11.689 1.00 0.00 C ATOM 52 OD1 ASP A 4 -3.471 18.103 -12.201 1.00 0.00 O ATOM 53 OD2 ASP A 4 -1.699 19.313 -12.004 1.00 0.00 O ATOM 54 H ASP A 4 -3.454 14.675 -10.831 1.00 0.00 H ATOM 55 HA ASP A 4 -2.102 15.987 -12.147 1.00 0.00 H ATOM 56 HB2 ASP A 4 -2.554 17.482 -9.742 1.00 0.00 H ATOM 57 HB3 ASP A 4 -0.898 17.752 -10.285 1.00 0.00 H ATOM 58 N PHE A 5 -0.217 14.453 -10.139 1.00 0.00 N ATOM 59 CA PHE A 5 1.102 13.866 -9.933 1.00 0.00 C ATOM 60 C PHE A 5 1.026 12.713 -8.937 1.00 0.00 C ATOM 61 O PHE A 5 1.971 12.464 -8.188 1.00 0.00 O ATOM 62 CB PHE A 5 2.071 14.929 -9.412 1.00 0.00 C ATOM 63 CG PHE A 5 3.480 14.568 -9.821 1.00 0.00 C ATOM 64 CD1 PHE A 5 3.991 15.018 -11.044 1.00 0.00 C ATOM 65 CD2 PHE A 5 4.275 13.785 -8.975 1.00 0.00 C ATOM 66 CE1 PHE A 5 5.298 14.684 -11.422 1.00 0.00 C ATOM 67 CE2 PHE A 5 5.581 13.451 -9.353 1.00 0.00 C ATOM 68 CZ PHE A 5 6.092 13.901 -10.576 1.00 0.00 C ATOM 69 H PHE A 5 -0.987 14.091 -9.652 1.00 0.00 H ATOM 70 HA PHE A 5 1.470 13.491 -10.876 1.00 0.00 H ATOM 71 HB2 PHE A 5 1.810 15.890 -9.831 1.00 0.00 H ATOM 72 HB3 PHE A 5 2.011 14.976 -8.336 1.00 0.00 H ATOM 73 HD1 PHE A 5 3.378 15.623 -11.696 1.00 0.00 H ATOM 74 HD2 PHE A 5 3.880 13.439 -8.032 1.00 0.00 H ATOM 75 HE1 PHE A 5 5.691 15.031 -12.366 1.00 0.00 H ATOM 76 HE2 PHE A 5 6.194 12.847 -8.701 1.00 0.00 H ATOM 77 HZ PHE A 5 7.099 13.643 -10.869 1.00 0.00 H ATOM 78 N LEU A 6 -0.104 12.013 -8.935 1.00 0.00 N ATOM 79 CA LEU A 6 -0.294 10.892 -8.022 1.00 0.00 C ATOM 80 C LEU A 6 -0.202 11.358 -6.573 1.00 0.00 C ATOM 81 O LEU A 6 -0.608 10.647 -5.654 1.00 0.00 O ATOM 82 CB LEU A 6 0.765 9.820 -8.284 1.00 0.00 C ATOM 83 CG LEU A 6 0.415 9.056 -9.562 1.00 0.00 C ATOM 84 CD1 LEU A 6 0.473 10.008 -10.758 1.00 0.00 C ATOM 85 CD2 LEU A 6 1.419 7.919 -9.767 1.00 0.00 C ATOM 86 H LEU A 6 -0.822 12.255 -9.557 1.00 0.00 H ATOM 87 HA LEU A 6 -1.271 10.464 -8.191 1.00 0.00 H ATOM 88 HB2 LEU A 6 1.732 10.289 -8.397 1.00 0.00 H ATOM 89 HB3 LEU A 6 0.795 9.132 -7.453 1.00 0.00 H ATOM 90 HG LEU A 6 -0.582 8.648 -9.475 1.00 0.00 H ATOM 91 HD11 LEU A 6 -0.432 10.596 -10.795 1.00 0.00 H ATOM 92 HD12 LEU A 6 0.568 9.436 -11.669 1.00 0.00 H ATOM 93 HD13 LEU A 6 1.324 10.665 -10.654 1.00 0.00 H ATOM 94 HD21 LEU A 6 1.266 7.476 -10.739 1.00 0.00 H ATOM 95 HD22 LEU A 6 1.275 7.171 -9.002 1.00 0.00 H ATOM 96 HD23 LEU A 6 2.423 8.311 -9.704 1.00 0.00 H ATOM 97 N LEU A 7 0.335 12.558 -6.376 1.00 0.00 N ATOM 98 CA LEU A 7 0.467 13.114 -5.034 1.00 0.00 C ATOM 99 C LEU A 7 -0.852 13.729 -4.578 1.00 0.00 C ATOM 100 O LEU A 7 -1.654 13.008 -4.007 1.00 0.00 O ATOM 101 CB LEU A 7 1.564 14.181 -5.017 1.00 0.00 C ATOM 102 CG LEU A 7 2.185 14.250 -3.621 1.00 0.00 C ATOM 103 CD1 LEU A 7 1.085 14.471 -2.582 1.00 0.00 C ATOM 104 CD2 LEU A 7 2.912 12.937 -3.321 1.00 0.00 C ATOM 105 H LEU A 7 0.648 13.078 -7.146 1.00 0.00 H ATOM 106 HA LEU A 7 0.740 12.323 -4.352 1.00 0.00 H ATOM 107 HB2 LEU A 7 2.325 13.925 -5.739 1.00 0.00 H ATOM 108 HB3 LEU A 7 1.137 15.140 -5.267 1.00 0.00 H ATOM 109 HG LEU A 7 2.888 15.070 -3.581 1.00 0.00 H ATOM 110 HD11 LEU A 7 0.545 13.549 -2.428 1.00 0.00 H ATOM 111 HD12 LEU A 7 0.405 15.232 -2.934 1.00 0.00 H ATOM 112 HD13 LEU A 7 1.529 14.789 -1.649 1.00 0.00 H ATOM 113 HD21 LEU A 7 2.295 12.321 -2.685 1.00 0.00 H ATOM 114 HD22 LEU A 7 3.845 13.148 -2.822 1.00 0.00 H ATOM 115 HD23 LEU A 7 3.108 12.416 -4.247 1.00 0.00 H TER 116 LEU A 7 ENDMDL CONECT 41 99 CONECT 99 41 MASTER 108 0 0 0 0 0 0 6 57 1 2 1 END