HEADER UNKNOWN FUNCTION 01-AUG-13 SMS21038 TITLE STRUCTURE OF AIP-III_DL7 COMPND MOL_ID: 1; COMPND 2 MOLECULE: AIP-III_DL7; COMPND 3 CHAIN: A; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 SYNTHETIC: YES KEYWDS AUTOINDUCING PEPTIDE DL7, 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 SMS21038. 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_DL7, 70% H2O/ 30% REMARK 210 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 WATER SUPPRESSION PULSESEQUENCES 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 CYS A 3 41.43 -140.63 REMARK 500 1 LEU A 6 105.84 51.52 REMARK 500 2 CYS A 3 46.54 -151.53 REMARK 500 2 LEU A 6 107.76 54.02 REMARK 500 3 CYS A 3 44.39 -152.53 REMARK 500 3 LEU A 6 100.43 53.46 REMARK 500 4 CYS A 3 37.54 -144.41 REMARK 500 4 LEU A 6 99.89 45.41 REMARK 500 5 ASN A 2 119.56 170.09 REMARK 500 5 LEU A 6 105.85 51.84 REMARK 500 6 ASN A 2 134.80 -177.70 REMARK 500 6 CYS A 3 45.66 -156.95 REMARK 500 6 LEU A 6 101.14 48.46 REMARK 500 7 ASN A 2 124.20 168.32 REMARK 500 7 LEU A 6 101.93 50.01 REMARK 500 8 CYS A 3 41.24 -141.74 REMARK 500 8 LEU A 6 108.28 53.64 REMARK 500 9 ASN A 2 123.36 179.23 REMARK 500 9 CYS A 3 44.00 -142.68 REMARK 500 9 LEU A 6 106.03 51.45 REMARK 500 10 CYS A 3 44.64 -157.80 REMARK 500 10 LEU A 6 98.34 47.15 REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: SMS21038 RELATED DB: BMRB DBREF A 1 7 BMRB SMS21038 SMS21038 1 7 SEQRES 1 A 7 ILE ASN CYS ASP PHE LEU DLE HET DLE A 7 19 HETNAM DLE D-LEUCINE FORMUL 1 DLE C6 H13 N O2 LINK C LEU A 6 N DLE A 7 1555 1555 1.33 LINK SG CYS A 3 C DLE A 7 1555 1555 1.81 CISPEP 1 CYS A 3 ASP A 4 1 -0.40 CISPEP 2 CYS A 3 ASP A 4 2 -0.55 CISPEP 3 CYS A 3 ASP A 4 3 -0.70 CISPEP 4 CYS A 3 ASP A 4 4 -0.56 CISPEP 5 CYS A 3 ASP A 4 5 -0.43 CISPEP 6 CYS A 3 ASP A 4 6 -0.54 CISPEP 7 CYS A 3 ASP A 4 7 -0.44 CISPEP 8 CYS A 3 ASP A 4 8 -0.56 CISPEP 9 CYS A 3 ASP A 4 9 -0.37 CISPEP 10 CYS A 3 ASP A 4 10 -0.72 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 -9.268 -8.880 4.278 1.00 0.00 N ATOM 2 CA ILE A 1 -8.924 -8.659 2.846 1.00 0.00 C ATOM 3 C ILE A 1 -7.414 -8.773 2.664 1.00 0.00 C ATOM 4 O ILE A 1 -6.642 -8.231 3.455 1.00 0.00 O ATOM 5 CB ILE A 1 -9.398 -7.269 2.419 1.00 0.00 C ATOM 6 CG1 ILE A 1 -8.555 -6.205 3.125 1.00 0.00 C ATOM 7 CG2 ILE A 1 -10.868 -7.090 2.802 1.00 0.00 C ATOM 8 CD1 ILE A 1 -9.157 -4.822 2.868 1.00 0.00 C ATOM 9 H1 ILE A 1 -10.234 -9.257 4.348 1.00 0.00 H ATOM 10 H2 ILE A 1 -9.209 -7.977 4.792 1.00 0.00 H ATOM 11 H3 ILE A 1 -8.602 -9.561 4.694 1.00 0.00 H ATOM 12 HA ILE A 1 -9.414 -9.408 2.239 1.00 0.00 H ATOM 13 HB ILE A 1 -9.291 -7.164 1.348 1.00 0.00 H ATOM 14 HG12 ILE A 1 -8.544 -6.402 4.188 1.00 0.00 H ATOM 15 HG13 ILE A 1 -7.546 -6.233 2.742 1.00 0.00 H ATOM 16 HG21 ILE A 1 -11.257 -6.199 2.331 1.00 0.00 H ATOM 17 HG22 ILE A 1 -10.952 -6.997 3.875 1.00 0.00 H ATOM 18 HG23 ILE A 1 -11.433 -7.949 2.471 1.00 0.00 H ATOM 19 HD11 ILE A 1 -10.047 -4.700 3.467 1.00 0.00 H ATOM 20 HD12 ILE A 1 -9.411 -4.729 1.822 1.00 0.00 H ATOM 21 HD13 ILE A 1 -8.438 -4.061 3.134 1.00 0.00 H ATOM 22 N ASN A 2 -7.000 -9.480 1.618 1.00 0.00 N ATOM 23 CA ASN A 2 -5.579 -9.661 1.346 1.00 0.00 C ATOM 24 C ASN A 2 -5.365 -10.147 -0.084 1.00 0.00 C ATOM 25 O ASN A 2 -5.900 -11.181 -0.484 1.00 0.00 O ATOM 26 CB ASN A 2 -4.985 -10.675 2.326 1.00 0.00 C ATOM 27 CG ASN A 2 -4.799 -10.029 3.695 1.00 0.00 C ATOM 28 OD1 ASN A 2 -5.087 -10.648 4.719 1.00 0.00 O ATOM 29 ND2 ASN A 2 -4.332 -8.813 3.774 1.00 0.00 N ATOM 30 H ASN A 2 -7.661 -9.886 1.019 1.00 0.00 H ATOM 31 HA ASN A 2 -5.074 -8.716 1.473 1.00 0.00 H ATOM 32 HB2 ASN A 2 -5.652 -11.519 2.415 1.00 0.00 H ATOM 33 HB3 ASN A 2 -4.027 -11.010 1.957 1.00 0.00 H ATOM 34 HD21 ASN A 2 -4.103 -8.321 2.958 1.00 0.00 H ATOM 35 HD22 ASN A 2 -4.209 -8.391 4.650 1.00 0.00 H ATOM 36 N CYS A 3 -4.580 -9.396 -0.849 1.00 0.00 N ATOM 37 CA CYS A 3 -4.295 -9.765 -2.230 1.00 0.00 C ATOM 38 C CYS A 3 -2.831 -9.500 -2.653 1.00 0.00 C ATOM 39 O CYS A 3 -2.659 -9.032 -3.779 1.00 0.00 O ATOM 40 CB CYS A 3 -5.223 -9.002 -3.177 1.00 0.00 C ATOM 41 SG CYS A 3 -6.814 -8.717 -2.362 1.00 0.00 S ATOM 42 H CYS A 3 -4.186 -8.579 -0.477 1.00 0.00 H ATOM 43 HA CYS A 3 -4.467 -10.824 -2.353 1.00 0.00 H ATOM 44 HB2 CYS A 3 -4.775 -8.054 -3.434 1.00 0.00 H ATOM 45 HB3 CYS A 3 -5.378 -9.583 -4.075 1.00 0.00 H ATOM 46 N ASP A 4 -1.832 -9.781 -1.825 1.00 0.00 N ATOM 47 CA ASP A 4 -2.083 -10.335 -0.500 1.00 0.00 C ATOM 48 C ASP A 4 -2.350 -9.218 0.505 1.00 0.00 C ATOM 49 O ASP A 4 -2.304 -9.435 1.716 1.00 0.00 O ATOM 50 CB ASP A 4 -0.879 -11.159 -0.040 1.00 0.00 C ATOM 51 CG ASP A 4 0.407 -10.372 -0.263 1.00 0.00 C ATOM 52 OD1 ASP A 4 0.740 -10.132 -1.412 1.00 0.00 O ATOM 53 OD2 ASP A 4 1.042 -10.022 0.718 1.00 0.00 O ATOM 54 H ASP A 4 -0.909 -9.614 -2.109 1.00 0.00 H ATOM 55 HA ASP A 4 -2.949 -10.978 -0.547 1.00 0.00 H ATOM 56 HB2 ASP A 4 -0.983 -11.390 1.011 1.00 0.00 H ATOM 57 HB3 ASP A 4 -0.839 -12.078 -0.605 1.00 0.00 H ATOM 58 N PHE A 5 -2.630 -8.024 -0.005 1.00 0.00 N ATOM 59 CA PHE A 5 -2.902 -6.879 0.857 1.00 0.00 C ATOM 60 C PHE A 5 -3.918 -5.947 0.205 1.00 0.00 C ATOM 61 O PHE A 5 -3.752 -5.539 -0.944 1.00 0.00 O ATOM 62 CB PHE A 5 -1.608 -6.114 1.135 1.00 0.00 C ATOM 63 CG PHE A 5 -0.805 -6.002 -0.140 1.00 0.00 C ATOM 64 CD1 PHE A 5 0.117 -7.001 -0.476 1.00 0.00 C ATOM 65 CD2 PHE A 5 -0.984 -4.901 -0.985 1.00 0.00 C ATOM 66 CE1 PHE A 5 0.861 -6.897 -1.657 1.00 0.00 C ATOM 67 CE2 PHE A 5 -0.241 -4.797 -2.167 1.00 0.00 C ATOM 68 CZ PHE A 5 0.682 -5.795 -2.504 1.00 0.00 C ATOM 69 H PHE A 5 -2.653 -7.909 -0.979 1.00 0.00 H ATOM 70 HA PHE A 5 -3.305 -7.236 1.793 1.00 0.00 H ATOM 71 HB2 PHE A 5 -1.845 -5.125 1.499 1.00 0.00 H ATOM 72 HB3 PHE A 5 -1.029 -6.642 1.878 1.00 0.00 H ATOM 73 HD1 PHE A 5 0.255 -7.850 0.176 1.00 0.00 H ATOM 74 HD2 PHE A 5 -1.696 -4.131 -0.726 1.00 0.00 H ATOM 75 HE1 PHE A 5 1.572 -7.667 -1.917 1.00 0.00 H ATOM 76 HE2 PHE A 5 -0.379 -3.947 -2.819 1.00 0.00 H ATOM 77 HZ PHE A 5 1.256 -5.716 -3.415 1.00 0.00 H ATOM 78 N LEU A 6 -4.969 -5.614 0.946 1.00 0.00 N ATOM 79 CA LEU A 6 -6.010 -4.735 0.426 1.00 0.00 C ATOM 80 C LEU A 6 -6.510 -5.237 -0.924 1.00 0.00 C ATOM 81 O LEU A 6 -5.825 -5.109 -1.938 1.00 0.00 O ATOM 82 CB LEU A 6 -5.466 -3.313 0.274 1.00 0.00 C ATOM 83 CG LEU A 6 -6.422 -2.490 -0.591 1.00 0.00 C ATOM 84 CD1 LEU A 6 -7.848 -2.639 -0.060 1.00 0.00 C ATOM 85 CD2 LEU A 6 -6.012 -1.017 -0.543 1.00 0.00 C ATOM 86 H LEU A 6 -5.046 -5.964 1.858 1.00 0.00 H ATOM 87 HA LEU A 6 -6.836 -4.719 1.122 1.00 0.00 H ATOM 88 HB2 LEU A 6 -5.377 -2.855 1.248 1.00 0.00 H ATOM 89 HB3 LEU A 6 -4.496 -3.347 -0.199 1.00 0.00 H ATOM 90 HG LEU A 6 -6.379 -2.845 -1.611 1.00 0.00 H ATOM 91 HD11 LEU A 6 -8.284 -3.548 -0.447 1.00 0.00 H ATOM 92 HD12 LEU A 6 -8.441 -1.793 -0.377 1.00 0.00 H ATOM 93 HD13 LEU A 6 -7.829 -2.681 1.019 1.00 0.00 H ATOM 94 HD21 LEU A 6 -5.064 -0.890 -1.045 1.00 0.00 H ATOM 95 HD22 LEU A 6 -5.918 -0.703 0.487 1.00 0.00 H ATOM 96 HD23 LEU A 6 -6.764 -0.417 -1.034 1.00 0.00 H HETATM 97 N DLE A 7 -7.709 -5.812 -0.930 1.00 0.00 N HETATM 98 CA DLE A 7 -8.299 -6.315 -2.165 1.00 0.00 C HETATM 99 CB DLE A 7 -9.477 -7.237 -1.844 1.00 0.00 C HETATM 100 CG DLE A 7 -10.759 -6.410 -1.736 1.00 0.00 C HETATM 101 CD1 DLE A 7 -11.383 -6.252 -3.123 1.00 0.00 C HETATM 102 CD2 DLE A 7 -11.748 -7.124 -0.812 1.00 0.00 C HETATM 103 C DLE A 7 -7.262 -7.076 -2.983 1.00 0.00 C HETATM 104 O DLE A 7 -7.163 -6.813 -4.170 1.00 0.00 O HETATM 105 H DLE A 7 -8.205 -5.899 -0.089 1.00 0.00 H HETATM 106 HA DLE A 7 -8.660 -5.480 -2.746 1.00 0.00 H HETATM 107 HB2 DLE A 7 -9.584 -7.969 -2.631 1.00 0.00 H HETATM 108 HB3 DLE A 7 -9.295 -7.740 -0.905 1.00 0.00 H HETATM 109 HG DLE A 7 -10.525 -5.436 -1.332 1.00 0.00 H HETATM 110 HD11 DLE A 7 -11.855 -7.179 -3.414 1.00 0.00 H HETATM 111 HD12 DLE A 7 -10.613 -6.000 -3.837 1.00 0.00 H HETATM 112 HD13 DLE A 7 -12.121 -5.464 -3.097 1.00 0.00 H HETATM 113 HD21 DLE A 7 -11.955 -8.111 -1.200 1.00 0.00 H HETATM 114 HD22 DLE A 7 -12.666 -6.557 -0.761 1.00 0.00 H HETATM 115 HD23 DLE A 7 -11.320 -7.209 0.176 1.00 0.00 H TER 116 DLE A 7 ENDMDL MODEL 2 ATOM 1 N ILE A 1 -8.888 -8.979 3.823 1.00 0.00 N ATOM 2 CA ILE A 1 -8.951 -8.319 2.489 1.00 0.00 C ATOM 3 C ILE A 1 -7.599 -8.449 1.796 1.00 0.00 C ATOM 4 O ILE A 1 -7.396 -7.917 0.704 1.00 0.00 O ATOM 5 CB ILE A 1 -9.306 -6.843 2.669 1.00 0.00 C ATOM 6 CG1 ILE A 1 -8.271 -6.178 3.579 1.00 0.00 C ATOM 7 CG2 ILE A 1 -10.692 -6.724 3.305 1.00 0.00 C ATOM 8 CD1 ILE A 1 -8.514 -4.668 3.613 1.00 0.00 C ATOM 9 H1 ILE A 1 -9.828 -8.959 4.265 1.00 0.00 H ATOM 10 H2 ILE A 1 -8.209 -8.473 4.428 1.00 0.00 H ATOM 11 H3 ILE A 1 -8.583 -9.966 3.709 1.00 0.00 H ATOM 12 HA ILE A 1 -9.708 -8.799 1.887 1.00 0.00 H ATOM 13 HB ILE A 1 -9.309 -6.353 1.707 1.00 0.00 H ATOM 14 HG12 ILE A 1 -8.360 -6.580 4.578 1.00 0.00 H ATOM 15 HG13 ILE A 1 -7.279 -6.373 3.199 1.00 0.00 H ATOM 16 HG21 ILE A 1 -10.837 -5.718 3.668 1.00 0.00 H ATOM 17 HG22 ILE A 1 -10.771 -7.420 4.128 1.00 0.00 H ATOM 18 HG23 ILE A 1 -11.447 -6.953 2.567 1.00 0.00 H ATOM 19 HD11 ILE A 1 -9.511 -4.471 3.979 1.00 0.00 H ATOM 20 HD12 ILE A 1 -8.411 -4.265 2.616 1.00 0.00 H ATOM 21 HD13 ILE A 1 -7.791 -4.202 4.266 1.00 0.00 H ATOM 22 N ASN A 2 -6.676 -9.158 2.439 1.00 0.00 N ATOM 23 CA ASN A 2 -5.346 -9.352 1.873 1.00 0.00 C ATOM 24 C ASN A 2 -5.435 -10.047 0.518 1.00 0.00 C ATOM 25 O ASN A 2 -6.127 -11.055 0.371 1.00 0.00 O ATOM 26 CB ASN A 2 -4.492 -10.192 2.824 1.00 0.00 C ATOM 27 CG ASN A 2 -5.340 -11.293 3.451 1.00 0.00 C ATOM 28 OD1 ASN A 2 -4.926 -11.916 4.429 1.00 0.00 O ATOM 29 ND2 ASN A 2 -6.509 -11.573 2.944 1.00 0.00 N ATOM 30 H ASN A 2 -6.894 -9.558 3.306 1.00 0.00 H ATOM 31 HA ASN A 2 -4.877 -8.389 1.743 1.00 0.00 H ATOM 32 HB2 ASN A 2 -3.675 -10.637 2.274 1.00 0.00 H ATOM 33 HB3 ASN A 2 -4.095 -9.559 3.604 1.00 0.00 H ATOM 34 HD21 ASN A 2 -6.837 -11.077 2.165 1.00 0.00 H ATOM 35 HD22 ASN A 2 -7.059 -12.279 3.341 1.00 0.00 H ATOM 36 N CYS A 3 -4.731 -9.502 -0.469 1.00 0.00 N ATOM 37 CA CYS A 3 -4.740 -10.076 -1.809 1.00 0.00 C ATOM 38 C CYS A 3 -3.426 -9.798 -2.581 1.00 0.00 C ATOM 39 O CYS A 3 -3.533 -9.409 -3.745 1.00 0.00 O ATOM 40 CB CYS A 3 -5.934 -9.538 -2.600 1.00 0.00 C ATOM 41 SG CYS A 3 -6.096 -7.759 -2.310 1.00 0.00 S ATOM 42 H CYS A 3 -4.197 -8.700 -0.293 1.00 0.00 H ATOM 43 HA CYS A 3 -4.831 -11.150 -1.729 1.00 0.00 H ATOM 44 HB2 CYS A 3 -5.778 -9.718 -3.653 1.00 0.00 H ATOM 45 HB3 CYS A 3 -6.835 -10.038 -2.278 1.00 0.00 H ATOM 46 N ASP A 4 -2.253 -9.990 -1.988 1.00 0.00 N ATOM 47 CA ASP A 4 -2.174 -10.451 -0.606 1.00 0.00 C ATOM 48 C ASP A 4 -2.184 -9.268 0.355 1.00 0.00 C ATOM 49 O ASP A 4 -1.842 -9.406 1.529 1.00 0.00 O ATOM 50 CB ASP A 4 -0.897 -11.268 -0.401 1.00 0.00 C ATOM 51 CG ASP A 4 0.325 -10.364 -0.523 1.00 0.00 C ATOM 52 OD1 ASP A 4 0.729 -9.808 0.486 1.00 0.00 O ATOM 53 OD2 ASP A 4 0.840 -10.242 -1.622 1.00 0.00 O ATOM 54 H ASP A 4 -1.427 -9.820 -2.487 1.00 0.00 H ATOM 55 HA ASP A 4 -3.027 -11.080 -0.397 1.00 0.00 H ATOM 56 HB2 ASP A 4 -0.914 -11.719 0.582 1.00 0.00 H ATOM 57 HB3 ASP A 4 -0.842 -12.044 -1.150 1.00 0.00 H ATOM 58 N PHE A 5 -2.577 -8.103 -0.152 1.00 0.00 N ATOM 59 CA PHE A 5 -2.627 -6.901 0.672 1.00 0.00 C ATOM 60 C PHE A 5 -3.682 -5.933 0.144 1.00 0.00 C ATOM 61 O PHE A 5 -3.617 -5.497 -1.005 1.00 0.00 O ATOM 62 CB PHE A 5 -1.260 -6.215 0.679 1.00 0.00 C ATOM 63 CG PHE A 5 -0.836 -5.924 -0.740 1.00 0.00 C ATOM 64 CD1 PHE A 5 -0.302 -6.946 -1.535 1.00 0.00 C ATOM 65 CD2 PHE A 5 -0.973 -4.632 -1.261 1.00 0.00 C ATOM 66 CE1 PHE A 5 0.092 -6.677 -2.850 1.00 0.00 C ATOM 67 CE2 PHE A 5 -0.579 -4.362 -2.577 1.00 0.00 C ATOM 68 CZ PHE A 5 -0.047 -5.384 -3.372 1.00 0.00 C ATOM 69 H PHE A 5 -2.836 -8.052 -1.096 1.00 0.00 H ATOM 70 HA PHE A 5 -2.883 -7.179 1.683 1.00 0.00 H ATOM 71 HB2 PHE A 5 -1.325 -5.290 1.233 1.00 0.00 H ATOM 72 HB3 PHE A 5 -0.534 -6.864 1.146 1.00 0.00 H ATOM 73 HD1 PHE A 5 -0.196 -7.943 -1.133 1.00 0.00 H ATOM 74 HD2 PHE A 5 -1.384 -3.843 -0.648 1.00 0.00 H ATOM 75 HE1 PHE A 5 0.502 -7.464 -3.464 1.00 0.00 H ATOM 76 HE2 PHE A 5 -0.686 -3.365 -2.979 1.00 0.00 H ATOM 77 HZ PHE A 5 0.258 -5.176 -4.387 1.00 0.00 H ATOM 78 N LEU A 6 -4.652 -5.604 0.989 1.00 0.00 N ATOM 79 CA LEU A 6 -5.724 -4.698 0.591 1.00 0.00 C ATOM 80 C LEU A 6 -6.398 -5.195 -0.684 1.00 0.00 C ATOM 81 O LEU A 6 -5.824 -5.121 -1.770 1.00 0.00 O ATOM 82 CB LEU A 6 -5.163 -3.294 0.361 1.00 0.00 C ATOM 83 CG LEU A 6 -6.174 -2.464 -0.432 1.00 0.00 C ATOM 84 CD1 LEU A 6 -7.546 -2.553 0.237 1.00 0.00 C ATOM 85 CD2 LEU A 6 -5.718 -1.004 -0.467 1.00 0.00 C ATOM 86 H LEU A 6 -4.647 -5.975 1.896 1.00 0.00 H ATOM 87 HA LEU A 6 -6.458 -4.656 1.382 1.00 0.00 H ATOM 88 HB2 LEU A 6 -4.978 -2.820 1.315 1.00 0.00 H ATOM 89 HB3 LEU A 6 -4.240 -3.362 -0.194 1.00 0.00 H ATOM 90 HG LEU A 6 -6.240 -2.848 -1.441 1.00 0.00 H ATOM 91 HD11 LEU A 6 -8.060 -3.437 -0.111 1.00 0.00 H ATOM 92 HD12 LEU A 6 -8.126 -1.677 -0.015 1.00 0.00 H ATOM 93 HD13 LEU A 6 -7.421 -2.607 1.308 1.00 0.00 H ATOM 94 HD21 LEU A 6 -6.397 -0.429 -1.079 1.00 0.00 H ATOM 95 HD22 LEU A 6 -4.722 -0.948 -0.882 1.00 0.00 H ATOM 96 HD23 LEU A 6 -5.712 -0.605 0.537 1.00 0.00 H HETATM 97 N DLE A 7 -7.619 -5.699 -0.544 1.00 0.00 N HETATM 98 CA DLE A 7 -8.370 -6.188 -1.694 1.00 0.00 C HETATM 99 CB DLE A 7 -9.862 -6.245 -1.360 1.00 0.00 C HETATM 100 CG DLE A 7 -10.665 -6.461 -2.643 1.00 0.00 C HETATM 101 CD1 DLE A 7 -11.976 -7.177 -2.311 1.00 0.00 C HETATM 102 CD2 DLE A 7 -10.975 -5.107 -3.284 1.00 0.00 C HETATM 103 C DLE A 7 -7.885 -7.575 -2.101 1.00 0.00 C HETATM 104 O DLE A 7 -8.575 -8.535 -1.800 1.00 0.00 O HETATM 105 H DLE A 7 -8.023 -5.745 0.348 1.00 0.00 H HETATM 106 HA DLE A 7 -8.225 -5.510 -2.522 1.00 0.00 H HETATM 107 HB2 DLE A 7 -10.046 -7.061 -0.676 1.00 0.00 H HETATM 108 HB3 DLE A 7 -10.163 -5.315 -0.901 1.00 0.00 H HETATM 109 HG DLE A 7 -10.090 -7.065 -3.331 1.00 0.00 H HETATM 110 HD11 DLE A 7 -12.541 -6.586 -1.606 1.00 0.00 H HETATM 111 HD12 DLE A 7 -11.758 -8.142 -1.878 1.00 0.00 H HETATM 112 HD13 DLE A 7 -12.552 -7.311 -3.215 1.00 0.00 H HETATM 113 HD21 DLE A 7 -10.050 -4.612 -3.543 1.00 0.00 H HETATM 114 HD22 DLE A 7 -11.527 -4.495 -2.586 1.00 0.00 H HETATM 115 HD23 DLE A 7 -11.565 -5.258 -4.176 1.00 0.00 H TER 116 DLE A 7 ENDMDL MODEL 3 ATOM 1 N ILE A 1 -9.089 -9.154 3.658 1.00 0.00 N ATOM 2 CA ILE A 1 -8.978 -8.445 2.351 1.00 0.00 C ATOM 3 C ILE A 1 -7.524 -8.449 1.896 1.00 0.00 C ATOM 4 O ILE A 1 -6.999 -7.427 1.454 1.00 0.00 O ATOM 5 CB ILE A 1 -9.473 -7.007 2.511 1.00 0.00 C ATOM 6 CG1 ILE A 1 -8.703 -6.327 3.646 1.00 0.00 C ATOM 7 CG2 ILE A 1 -10.966 -7.012 2.842 1.00 0.00 C ATOM 8 CD1 ILE A 1 -9.033 -4.834 3.665 1.00 0.00 C ATOM 9 H1 ILE A 1 -9.609 -8.558 4.333 1.00 0.00 H ATOM 10 H2 ILE A 1 -8.136 -9.348 4.028 1.00 0.00 H ATOM 11 H3 ILE A 1 -9.600 -10.050 3.526 1.00 0.00 H ATOM 12 HA ILE A 1 -9.585 -8.954 1.617 1.00 0.00 H ATOM 13 HB ILE A 1 -9.311 -6.467 1.589 1.00 0.00 H ATOM 14 HG12 ILE A 1 -8.986 -6.772 4.590 1.00 0.00 H ATOM 15 HG13 ILE A 1 -7.642 -6.457 3.490 1.00 0.00 H ATOM 16 HG21 ILE A 1 -11.256 -6.043 3.217 1.00 0.00 H ATOM 17 HG22 ILE A 1 -11.166 -7.763 3.593 1.00 0.00 H ATOM 18 HG23 ILE A 1 -11.532 -7.238 1.950 1.00 0.00 H ATOM 19 HD11 ILE A 1 -10.101 -4.702 3.758 1.00 0.00 H ATOM 20 HD12 ILE A 1 -8.694 -4.378 2.747 1.00 0.00 H ATOM 21 HD13 ILE A 1 -8.538 -4.366 4.503 1.00 0.00 H ATOM 22 N ASN A 2 -6.877 -9.605 2.007 1.00 0.00 N ATOM 23 CA ASN A 2 -5.481 -9.729 1.603 1.00 0.00 C ATOM 24 C ASN A 2 -5.382 -10.257 0.175 1.00 0.00 C ATOM 25 O ASN A 2 -5.993 -11.269 -0.167 1.00 0.00 O ATOM 26 CB ASN A 2 -4.745 -10.677 2.551 1.00 0.00 C ATOM 27 CG ASN A 2 -5.565 -11.946 2.760 1.00 0.00 C ATOM 28 OD1 ASN A 2 -5.249 -12.753 3.634 1.00 0.00 O ATOM 29 ND2 ASN A 2 -6.603 -12.172 2.004 1.00 0.00 N ATOM 30 H ASN A 2 -7.345 -10.386 2.366 1.00 0.00 H ATOM 31 HA ASN A 2 -5.014 -8.757 1.651 1.00 0.00 H ATOM 32 HB2 ASN A 2 -3.785 -10.935 2.127 1.00 0.00 H ATOM 33 HB3 ASN A 2 -4.596 -10.187 3.503 1.00 0.00 H ATOM 34 HD21 ASN A 2 -6.853 -11.528 1.308 1.00 0.00 H ATOM 35 HD22 ASN A 2 -7.136 -12.985 2.132 1.00 0.00 H ATOM 36 N CYS A 3 -4.607 -9.564 -0.654 1.00 0.00 N ATOM 37 CA CYS A 3 -4.437 -9.971 -2.044 1.00 0.00 C ATOM 38 C CYS A 3 -3.076 -9.527 -2.645 1.00 0.00 C ATOM 39 O CYS A 3 -3.098 -9.053 -3.781 1.00 0.00 O ATOM 40 CB CYS A 3 -5.579 -9.416 -2.895 1.00 0.00 C ATOM 41 SG CYS A 3 -5.857 -7.678 -2.471 1.00 0.00 S ATOM 42 H CYS A 3 -4.143 -8.766 -0.325 1.00 0.00 H ATOM 43 HA CYS A 3 -4.455 -11.050 -2.097 1.00 0.00 H ATOM 44 HB2 CYS A 3 -5.320 -9.494 -3.941 1.00 0.00 H ATOM 45 HB3 CYS A 3 -6.479 -9.981 -2.704 1.00 0.00 H ATOM 46 N ASP A 4 -1.958 -9.678 -1.945 1.00 0.00 N ATOM 47 CA ASP A 4 -1.980 -10.245 -0.601 1.00 0.00 C ATOM 48 C ASP A 4 -2.230 -9.155 0.437 1.00 0.00 C ATOM 49 O ASP A 4 -2.091 -9.385 1.638 1.00 0.00 O ATOM 50 CB ASP A 4 -0.650 -10.939 -0.304 1.00 0.00 C ATOM 51 CG ASP A 4 -0.504 -12.183 -1.175 1.00 0.00 C ATOM 52 OD1 ASP A 4 -1.494 -12.590 -1.761 1.00 0.00 O ATOM 53 OD2 ASP A 4 0.594 -12.708 -1.243 1.00 0.00 O ATOM 54 H ASP A 4 -1.103 -9.403 -2.337 1.00 0.00 H ATOM 55 HA ASP A 4 -2.774 -10.974 -0.541 1.00 0.00 H ATOM 56 HB2 ASP A 4 0.164 -10.258 -0.513 1.00 0.00 H ATOM 57 HB3 ASP A 4 -0.618 -11.226 0.736 1.00 0.00 H ATOM 58 N PHE A 5 -2.599 -7.969 -0.036 1.00 0.00 N ATOM 59 CA PHE A 5 -2.868 -6.851 0.861 1.00 0.00 C ATOM 60 C PHE A 5 -3.850 -5.874 0.221 1.00 0.00 C ATOM 61 O PHE A 5 -3.669 -5.458 -0.924 1.00 0.00 O ATOM 62 CB PHE A 5 -1.565 -6.122 1.193 1.00 0.00 C ATOM 63 CG PHE A 5 -0.967 -5.555 -0.073 1.00 0.00 C ATOM 64 CD1 PHE A 5 -0.222 -6.380 -0.924 1.00 0.00 C ATOM 65 CD2 PHE A 5 -1.159 -4.208 -0.396 1.00 0.00 C ATOM 66 CE1 PHE A 5 0.333 -5.856 -2.098 1.00 0.00 C ATOM 67 CE2 PHE A 5 -0.605 -3.682 -1.570 1.00 0.00 C ATOM 68 CZ PHE A 5 0.140 -4.507 -2.421 1.00 0.00 C ATOM 69 H PHE A 5 -2.692 -7.843 -1.004 1.00 0.00 H ATOM 70 HA PHE A 5 -3.298 -7.230 1.776 1.00 0.00 H ATOM 71 HB2 PHE A 5 -1.769 -5.318 1.886 1.00 0.00 H ATOM 72 HB3 PHE A 5 -0.869 -6.816 1.640 1.00 0.00 H ATOM 73 HD1 PHE A 5 -0.073 -7.421 -0.676 1.00 0.00 H ATOM 74 HD2 PHE A 5 -1.734 -3.572 0.261 1.00 0.00 H ATOM 75 HE1 PHE A 5 0.908 -6.491 -2.755 1.00 0.00 H ATOM 76 HE2 PHE A 5 -0.754 -2.642 -1.818 1.00 0.00 H ATOM 77 HZ PHE A 5 0.568 -4.102 -3.326 1.00 0.00 H ATOM 78 N LEU A 6 -4.890 -5.514 0.966 1.00 0.00 N ATOM 79 CA LEU A 6 -5.903 -4.598 0.455 1.00 0.00 C ATOM 80 C LEU A 6 -6.454 -5.098 -0.877 1.00 0.00 C ATOM 81 O LEU A 6 -5.828 -4.924 -1.923 1.00 0.00 O ATOM 82 CB LEU A 6 -5.302 -3.204 0.269 1.00 0.00 C ATOM 83 CG LEU A 6 -6.404 -2.152 0.393 1.00 0.00 C ATOM 84 CD1 LEU A 6 -5.836 -0.774 0.047 1.00 0.00 C ATOM 85 CD2 LEU A 6 -7.541 -2.490 -0.574 1.00 0.00 C ATOM 86 H LEU A 6 -4.977 -5.870 1.875 1.00 0.00 H ATOM 87 HA LEU A 6 -6.711 -4.538 1.167 1.00 0.00 H ATOM 88 HB2 LEU A 6 -4.552 -3.033 1.028 1.00 0.00 H ATOM 89 HB3 LEU A 6 -4.848 -3.135 -0.708 1.00 0.00 H ATOM 90 HG LEU A 6 -6.781 -2.142 1.406 1.00 0.00 H ATOM 91 HD11 LEU A 6 -5.470 -0.780 -0.969 1.00 0.00 H ATOM 92 HD12 LEU A 6 -5.025 -0.540 0.721 1.00 0.00 H ATOM 93 HD13 LEU A 6 -6.612 -0.029 0.147 1.00 0.00 H ATOM 94 HD21 LEU A 6 -7.127 -2.768 -1.533 1.00 0.00 H ATOM 95 HD22 LEU A 6 -8.180 -1.629 -0.694 1.00 0.00 H ATOM 96 HD23 LEU A 6 -8.117 -3.313 -0.178 1.00 0.00 H HETATM 97 N DLE A 7 -7.627 -5.720 -0.831 1.00 0.00 N HETATM 98 CA DLE A 7 -8.255 -6.237 -2.041 1.00 0.00 C HETATM 99 CB DLE A 7 -9.765 -6.377 -1.827 1.00 0.00 C HETATM 100 CG DLE A 7 -10.424 -5.002 -1.924 1.00 0.00 C HETATM 101 CD1 DLE A 7 -10.781 -4.706 -3.382 1.00 0.00 C HETATM 102 CD2 DLE A 7 -11.698 -4.988 -1.077 1.00 0.00 C HETATM 103 C DLE A 7 -7.664 -7.592 -2.415 1.00 0.00 C HETATM 104 O DLE A 7 -8.327 -8.590 -2.181 1.00 0.00 O HETATM 105 H DLE A 7 -8.079 -5.833 0.032 1.00 0.00 H HETATM 106 HA DLE A 7 -8.082 -5.544 -2.849 1.00 0.00 H HETATM 107 HB2 DLE A 7 -10.175 -7.029 -2.585 1.00 0.00 H HETATM 108 HB3 DLE A 7 -9.952 -6.797 -0.851 1.00 0.00 H HETATM 109 HG DLE A 7 -9.739 -4.248 -1.561 1.00 0.00 H HETATM 110 HD11 DLE A 7 -9.881 -4.713 -3.980 1.00 0.00 H HETATM 111 HD12 DLE A 7 -11.249 -3.736 -3.448 1.00 0.00 H HETATM 112 HD13 DLE A 7 -11.461 -5.461 -3.746 1.00 0.00 H HETATM 113 HD21 DLE A 7 -12.239 -4.069 -1.253 1.00 0.00 H HETATM 114 HD22 DLE A 7 -11.436 -5.056 -0.031 1.00 0.00 H HETATM 115 HD23 DLE A 7 -12.320 -5.828 -1.346 1.00 0.00 H TER 116 DLE A 7 ENDMDL MODEL 4 ATOM 1 N ILE A 1 -9.106 -8.669 4.559 1.00 0.00 N ATOM 2 CA ILE A 1 -8.893 -9.072 3.140 1.00 0.00 C ATOM 3 C ILE A 1 -7.403 -9.018 2.818 1.00 0.00 C ATOM 4 O ILE A 1 -6.658 -8.238 3.411 1.00 0.00 O ATOM 5 CB ILE A 1 -9.660 -8.118 2.221 1.00 0.00 C ATOM 6 CG1 ILE A 1 -9.153 -6.690 2.433 1.00 0.00 C ATOM 7 CG2 ILE A 1 -11.153 -8.183 2.551 1.00 0.00 C ATOM 8 CD1 ILE A 1 -9.845 -5.751 1.442 1.00 0.00 C ATOM 9 H1 ILE A 1 -8.924 -7.651 4.663 1.00 0.00 H ATOM 10 H2 ILE A 1 -8.457 -9.203 5.171 1.00 0.00 H ATOM 11 H3 ILE A 1 -10.088 -8.872 4.832 1.00 0.00 H ATOM 12 HA ILE A 1 -9.255 -10.079 2.995 1.00 0.00 H ATOM 13 HB ILE A 1 -9.506 -8.409 1.192 1.00 0.00 H ATOM 14 HG12 ILE A 1 -9.375 -6.376 3.443 1.00 0.00 H ATOM 15 HG13 ILE A 1 -8.087 -6.658 2.270 1.00 0.00 H ATOM 16 HG21 ILE A 1 -11.294 -8.028 3.610 1.00 0.00 H ATOM 17 HG22 ILE A 1 -11.541 -9.152 2.273 1.00 0.00 H ATOM 18 HG23 ILE A 1 -11.676 -7.414 2.002 1.00 0.00 H ATOM 19 HD11 ILE A 1 -9.468 -4.748 1.575 1.00 0.00 H ATOM 20 HD12 ILE A 1 -10.910 -5.762 1.620 1.00 0.00 H ATOM 21 HD13 ILE A 1 -9.644 -6.081 0.434 1.00 0.00 H ATOM 22 N ASN A 2 -6.977 -9.852 1.875 1.00 0.00 N ATOM 23 CA ASN A 2 -5.573 -9.891 1.483 1.00 0.00 C ATOM 24 C ASN A 2 -5.437 -10.291 0.017 1.00 0.00 C ATOM 25 O ASN A 2 -6.023 -11.280 -0.424 1.00 0.00 O ATOM 26 CB ASN A 2 -4.814 -10.889 2.359 1.00 0.00 C ATOM 27 CG ASN A 2 -5.523 -12.240 2.344 1.00 0.00 C ATOM 28 OD1 ASN A 2 -5.065 -13.190 2.980 1.00 0.00 O ATOM 29 ND2 ASN A 2 -6.619 -12.383 1.652 1.00 0.00 N ATOM 30 H ASN A 2 -7.616 -10.450 1.435 1.00 0.00 H ATOM 31 HA ASN A 2 -5.142 -8.911 1.619 1.00 0.00 H ATOM 32 HB2 ASN A 2 -3.809 -11.008 1.979 1.00 0.00 H ATOM 33 HB3 ASN A 2 -4.773 -10.518 3.372 1.00 0.00 H ATOM 34 HD21 ASN A 2 -6.983 -11.626 1.147 1.00 0.00 H ATOM 35 HD22 ASN A 2 -7.081 -13.248 1.639 1.00 0.00 H ATOM 36 N CYS A 3 -4.660 -9.517 -0.733 1.00 0.00 N ATOM 37 CA CYS A 3 -4.455 -9.799 -2.149 1.00 0.00 C ATOM 38 C CYS A 3 -3.025 -9.471 -2.653 1.00 0.00 C ATOM 39 O CYS A 3 -2.938 -9.007 -3.789 1.00 0.00 O ATOM 40 CB CYS A 3 -5.454 -9.003 -2.990 1.00 0.00 C ATOM 41 SG CYS A 3 -5.376 -7.255 -2.526 1.00 0.00 S ATOM 42 H CYS A 3 -4.217 -8.742 -0.328 1.00 0.00 H ATOM 43 HA CYS A 3 -4.615 -10.852 -2.323 1.00 0.00 H ATOM 44 HB2 CYS A 3 -5.209 -9.110 -4.036 1.00 0.00 H ATOM 45 HB3 CYS A 3 -6.452 -9.378 -2.814 1.00 0.00 H ATOM 46 N ASP A 4 -1.968 -9.699 -1.881 1.00 0.00 N ATOM 47 CA ASP A 4 -2.118 -10.250 -0.539 1.00 0.00 C ATOM 48 C ASP A 4 -2.357 -9.135 0.474 1.00 0.00 C ATOM 49 O ASP A 4 -2.202 -9.335 1.678 1.00 0.00 O ATOM 50 CB ASP A 4 -0.862 -11.033 -0.153 1.00 0.00 C ATOM 51 CG ASP A 4 -0.658 -12.200 -1.113 1.00 0.00 C ATOM 52 OD1 ASP A 4 0.009 -12.007 -2.115 1.00 0.00 O ATOM 53 OD2 ASP A 4 -1.175 -13.269 -0.832 1.00 0.00 O ATOM 54 H ASP A 4 -1.071 -9.492 -2.219 1.00 0.00 H ATOM 55 HA ASP A 4 -2.964 -10.921 -0.529 1.00 0.00 H ATOM 56 HB2 ASP A 4 -0.004 -10.378 -0.197 1.00 0.00 H ATOM 57 HB3 ASP A 4 -0.972 -11.412 0.853 1.00 0.00 H ATOM 58 N PHE A 5 -2.738 -7.962 -0.023 1.00 0.00 N ATOM 59 CA PHE A 5 -2.995 -6.822 0.850 1.00 0.00 C ATOM 60 C PHE A 5 -4.009 -5.878 0.212 1.00 0.00 C ATOM 61 O PHE A 5 -3.810 -5.402 -0.906 1.00 0.00 O ATOM 62 CB PHE A 5 -1.692 -6.068 1.122 1.00 0.00 C ATOM 63 CG PHE A 5 -1.056 -5.674 -0.189 1.00 0.00 C ATOM 64 CD1 PHE A 5 -0.319 -6.614 -0.920 1.00 0.00 C ATOM 65 CD2 PHE A 5 -1.200 -4.368 -0.673 1.00 0.00 C ATOM 66 CE1 PHE A 5 0.272 -6.250 -2.135 1.00 0.00 C ATOM 67 CE2 PHE A 5 -0.609 -4.004 -1.888 1.00 0.00 C ATOM 68 CZ PHE A 5 0.127 -4.944 -2.620 1.00 0.00 C ATOM 69 H PHE A 5 -2.847 -7.862 -0.991 1.00 0.00 H ATOM 70 HA PHE A 5 -3.392 -7.181 1.788 1.00 0.00 H ATOM 71 HB2 PHE A 5 -1.906 -5.181 1.700 1.00 0.00 H ATOM 72 HB3 PHE A 5 -1.016 -6.704 1.673 1.00 0.00 H ATOM 73 HD1 PHE A 5 -0.208 -7.621 -0.546 1.00 0.00 H ATOM 74 HD2 PHE A 5 -1.768 -3.643 -0.109 1.00 0.00 H ATOM 75 HE1 PHE A 5 0.839 -6.975 -2.700 1.00 0.00 H ATOM 76 HE2 PHE A 5 -0.721 -2.996 -2.262 1.00 0.00 H ATOM 77 HZ PHE A 5 0.583 -4.662 -3.557 1.00 0.00 H ATOM 78 N LEU A 6 -5.095 -5.611 0.929 1.00 0.00 N ATOM 79 CA LEU A 6 -6.134 -4.723 0.422 1.00 0.00 C ATOM 80 C LEU A 6 -6.464 -5.058 -1.029 1.00 0.00 C ATOM 81 O LEU A 6 -5.748 -4.659 -1.947 1.00 0.00 O ATOM 82 CB LEU A 6 -5.672 -3.268 0.519 1.00 0.00 C ATOM 83 CG LEU A 6 -6.609 -2.378 -0.300 1.00 0.00 C ATOM 84 CD1 LEU A 6 -8.061 -2.700 0.056 1.00 0.00 C ATOM 85 CD2 LEU A 6 -6.321 -0.909 0.017 1.00 0.00 C ATOM 86 H LEU A 6 -5.199 -6.018 1.815 1.00 0.00 H ATOM 87 HA LEU A 6 -7.024 -4.847 1.021 1.00 0.00 H ATOM 88 HB2 LEU A 6 -5.688 -2.954 1.553 1.00 0.00 H ATOM 89 HB3 LEU A 6 -4.668 -3.183 0.132 1.00 0.00 H ATOM 90 HG LEU A 6 -6.447 -2.559 -1.352 1.00 0.00 H ATOM 91 HD11 LEU A 6 -8.141 -2.871 1.120 1.00 0.00 H ATOM 92 HD12 LEU A 6 -8.373 -3.588 -0.475 1.00 0.00 H ATOM 93 HD13 LEU A 6 -8.693 -1.872 -0.224 1.00 0.00 H ATOM 94 HD21 LEU A 6 -5.331 -0.652 -0.330 1.00 0.00 H ATOM 95 HD22 LEU A 6 -6.380 -0.753 1.084 1.00 0.00 H ATOM 96 HD23 LEU A 6 -7.050 -0.284 -0.478 1.00 0.00 H HETATM 97 N DLE A 7 -7.553 -5.793 -1.229 1.00 0.00 N HETATM 98 CA DLE A 7 -7.984 -6.154 -2.575 1.00 0.00 C HETATM 99 CB DLE A 7 -8.988 -7.306 -2.510 1.00 0.00 C HETATM 100 CG DLE A 7 -9.883 -7.273 -3.750 1.00 0.00 C HETATM 101 CD1 DLE A 7 -10.366 -8.688 -4.070 1.00 0.00 C HETATM 102 CD2 DLE A 7 -11.091 -6.372 -3.482 1.00 0.00 C HETATM 103 C DLE A 7 -6.788 -6.567 -3.427 1.00 0.00 C HETATM 104 O DLE A 7 -6.991 -6.873 -4.590 1.00 0.00 O HETATM 105 H DLE A 7 -8.076 -6.098 -0.458 1.00 0.00 H HETATM 106 HA DLE A 7 -8.462 -5.301 -3.030 1.00 0.00 H HETATM 107 HB2 DLE A 7 -8.457 -8.246 -2.474 1.00 0.00 H HETATM 108 HB3 DLE A 7 -9.599 -7.203 -1.625 1.00 0.00 H HETATM 109 HG DLE A 7 -9.322 -6.886 -4.588 1.00 0.00 H HETATM 110 HD11 DLE A 7 -9.519 -9.309 -4.324 1.00 0.00 H HETATM 111 HD12 DLE A 7 -11.051 -8.655 -4.904 1.00 0.00 H HETATM 112 HD13 DLE A 7 -10.869 -9.101 -3.208 1.00 0.00 H HETATM 113 HD21 DLE A 7 -10.750 -5.375 -3.244 1.00 0.00 H HETATM 114 HD22 DLE A 7 -11.657 -6.767 -2.651 1.00 0.00 H HETATM 115 HD23 DLE A 7 -11.718 -6.340 -4.361 1.00 0.00 H TER 116 DLE A 7 ENDMDL MODEL 5 ATOM 1 N ILE A 1 -9.417 -9.011 4.270 1.00 0.00 N ATOM 2 CA ILE A 1 -8.977 -8.715 2.877 1.00 0.00 C ATOM 3 C ILE A 1 -7.472 -8.934 2.766 1.00 0.00 C ATOM 4 O ILE A 1 -6.744 -8.822 3.753 1.00 0.00 O ATOM 5 CB ILE A 1 -9.321 -7.265 2.533 1.00 0.00 C ATOM 6 CG1 ILE A 1 -8.454 -6.323 3.370 1.00 0.00 C ATOM 7 CG2 ILE A 1 -10.797 -7.005 2.839 1.00 0.00 C ATOM 8 CD1 ILE A 1 -8.915 -4.881 3.159 1.00 0.00 C ATOM 9 H1 ILE A 1 -9.906 -8.181 4.662 1.00 0.00 H ATOM 10 H2 ILE A 1 -8.588 -9.235 4.856 1.00 0.00 H ATOM 11 H3 ILE A 1 -10.068 -9.821 4.264 1.00 0.00 H ATOM 12 HA ILE A 1 -9.486 -9.378 2.192 1.00 0.00 H ATOM 13 HB ILE A 1 -9.135 -7.091 1.482 1.00 0.00 H ATOM 14 HG12 ILE A 1 -8.547 -6.583 4.415 1.00 0.00 H ATOM 15 HG13 ILE A 1 -7.422 -6.418 3.066 1.00 0.00 H ATOM 16 HG21 ILE A 1 -11.094 -6.062 2.403 1.00 0.00 H ATOM 17 HG22 ILE A 1 -10.942 -6.967 3.908 1.00 0.00 H ATOM 18 HG23 ILE A 1 -11.398 -7.799 2.422 1.00 0.00 H ATOM 19 HD11 ILE A 1 -8.170 -4.203 3.550 1.00 0.00 H ATOM 20 HD12 ILE A 1 -9.851 -4.723 3.675 1.00 0.00 H ATOM 21 HD13 ILE A 1 -9.050 -4.697 2.103 1.00 0.00 H ATOM 22 N ASN A 2 -7.012 -9.245 1.559 1.00 0.00 N ATOM 23 CA ASN A 2 -5.590 -9.475 1.330 1.00 0.00 C ATOM 24 C ASN A 2 -5.358 -10.049 -0.064 1.00 0.00 C ATOM 25 O ASN A 2 -5.858 -11.124 -0.395 1.00 0.00 O ATOM 26 CB ASN A 2 -5.042 -10.443 2.380 1.00 0.00 C ATOM 27 CG ASN A 2 -4.181 -9.688 3.387 1.00 0.00 C ATOM 28 OD1 ASN A 2 -3.250 -10.255 3.957 1.00 0.00 O ATOM 29 ND2 ASN A 2 -4.439 -8.434 3.641 1.00 0.00 N ATOM 30 H ASN A 2 -7.638 -9.320 0.809 1.00 0.00 H ATOM 31 HA ASN A 2 -5.064 -8.536 1.414 1.00 0.00 H ATOM 32 HB2 ASN A 2 -5.866 -10.916 2.896 1.00 0.00 H ATOM 33 HB3 ASN A 2 -4.443 -11.198 1.894 1.00 0.00 H ATOM 34 HD21 ASN A 2 -5.181 -7.985 3.186 1.00 0.00 H ATOM 35 HD22 ASN A 2 -3.889 -7.942 4.287 1.00 0.00 H ATOM 36 N CYS A 3 -4.595 -9.324 -0.877 1.00 0.00 N ATOM 37 CA CYS A 3 -4.306 -9.771 -2.236 1.00 0.00 C ATOM 38 C CYS A 3 -2.843 -9.527 -2.670 1.00 0.00 C ATOM 39 O CYS A 3 -2.671 -9.071 -3.801 1.00 0.00 O ATOM 40 CB CYS A 3 -5.232 -9.063 -3.225 1.00 0.00 C ATOM 41 SG CYS A 3 -6.842 -8.780 -2.449 1.00 0.00 S ATOM 42 H CYS A 3 -4.222 -8.477 -0.559 1.00 0.00 H ATOM 43 HA CYS A 3 -4.476 -10.835 -2.298 1.00 0.00 H ATOM 44 HB2 CYS A 3 -4.798 -8.116 -3.510 1.00 0.00 H ATOM 45 HB3 CYS A 3 -5.358 -9.679 -4.104 1.00 0.00 H ATOM 46 N ASP A 4 -1.841 -9.810 -1.844 1.00 0.00 N ATOM 47 CA ASP A 4 -2.091 -10.346 -0.511 1.00 0.00 C ATOM 48 C ASP A 4 -2.318 -9.217 0.488 1.00 0.00 C ATOM 49 O ASP A 4 -2.235 -9.420 1.699 1.00 0.00 O ATOM 50 CB ASP A 4 -0.903 -11.198 -0.060 1.00 0.00 C ATOM 51 CG ASP A 4 0.315 -10.310 0.178 1.00 0.00 C ATOM 52 OD1 ASP A 4 0.300 -9.565 1.143 1.00 0.00 O ATOM 53 OD2 ASP A 4 1.244 -10.389 -0.609 1.00 0.00 O ATOM 54 H ASP A 4 -0.918 -9.656 -2.137 1.00 0.00 H ATOM 55 HA ASP A 4 -2.972 -10.969 -0.544 1.00 0.00 H ATOM 56 HB2 ASP A 4 -1.157 -11.711 0.855 1.00 0.00 H ATOM 57 HB3 ASP A 4 -0.671 -11.923 -0.825 1.00 0.00 H ATOM 58 N PHE A 5 -2.606 -8.026 -0.029 1.00 0.00 N ATOM 59 CA PHE A 5 -2.844 -6.871 0.828 1.00 0.00 C ATOM 60 C PHE A 5 -3.878 -5.941 0.199 1.00 0.00 C ATOM 61 O PHE A 5 -3.722 -5.505 -0.941 1.00 0.00 O ATOM 62 CB PHE A 5 -1.538 -6.107 1.051 1.00 0.00 C ATOM 63 CG PHE A 5 -0.870 -5.851 -0.279 1.00 0.00 C ATOM 64 CD1 PHE A 5 -0.127 -6.864 -0.896 1.00 0.00 C ATOM 65 CD2 PHE A 5 -0.996 -4.600 -0.896 1.00 0.00 C ATOM 66 CE1 PHE A 5 0.491 -6.627 -2.129 1.00 0.00 C ATOM 67 CE2 PHE A 5 -0.378 -4.363 -2.129 1.00 0.00 C ATOM 68 CZ PHE A 5 0.366 -5.376 -2.746 1.00 0.00 C ATOM 69 H PHE A 5 -2.658 -7.923 -1.002 1.00 0.00 H ATOM 70 HA PHE A 5 -3.215 -7.212 1.782 1.00 0.00 H ATOM 71 HB2 PHE A 5 -1.750 -5.165 1.535 1.00 0.00 H ATOM 72 HB3 PHE A 5 -0.880 -6.693 1.675 1.00 0.00 H ATOM 73 HD1 PHE A 5 -0.031 -7.829 -0.421 1.00 0.00 H ATOM 74 HD2 PHE A 5 -1.569 -3.818 -0.420 1.00 0.00 H ATOM 75 HE1 PHE A 5 1.065 -7.408 -2.605 1.00 0.00 H ATOM 76 HE2 PHE A 5 -0.473 -3.398 -2.604 1.00 0.00 H ATOM 77 HZ PHE A 5 0.844 -5.193 -3.697 1.00 0.00 H ATOM 78 N LEU A 6 -4.933 -5.644 0.950 1.00 0.00 N ATOM 79 CA LEU A 6 -5.992 -4.773 0.452 1.00 0.00 C ATOM 80 C LEU A 6 -6.492 -5.259 -0.904 1.00 0.00 C ATOM 81 O LEU A 6 -5.815 -5.098 -1.919 1.00 0.00 O ATOM 82 CB LEU A 6 -5.471 -3.339 0.323 1.00 0.00 C ATOM 83 CG LEU A 6 -6.447 -2.516 -0.519 1.00 0.00 C ATOM 84 CD1 LEU A 6 -7.866 -2.695 0.023 1.00 0.00 C ATOM 85 CD2 LEU A 6 -6.058 -1.038 -0.447 1.00 0.00 C ATOM 86 H LEU A 6 -5.001 -6.016 1.855 1.00 0.00 H ATOM 87 HA LEU A 6 -6.813 -4.783 1.154 1.00 0.00 H ATOM 88 HB2 LEU A 6 -5.381 -2.900 1.306 1.00 0.00 H ATOM 89 HB3 LEU A 6 -4.504 -3.350 -0.158 1.00 0.00 H ATOM 90 HG LEU A 6 -6.409 -2.852 -1.545 1.00 0.00 H ATOM 91 HD11 LEU A 6 -7.836 -2.740 1.102 1.00 0.00 H ATOM 92 HD12 LEU A 6 -8.287 -3.611 -0.364 1.00 0.00 H ATOM 93 HD13 LEU A 6 -8.477 -1.859 -0.286 1.00 0.00 H ATOM 94 HD21 LEU A 6 -5.035 -0.919 -0.774 1.00 0.00 H ATOM 95 HD22 LEU A 6 -6.154 -0.688 0.569 1.00 0.00 H ATOM 96 HD23 LEU A 6 -6.709 -0.463 -1.089 1.00 0.00 H HETATM 97 N DLE A 7 -7.680 -5.853 -0.913 1.00 0.00 N HETATM 98 CA DLE A 7 -8.266 -6.351 -2.152 1.00 0.00 C HETATM 99 CB DLE A 7 -9.430 -7.292 -1.839 1.00 0.00 C HETATM 100 CG DLE A 7 -10.735 -6.496 -1.801 1.00 0.00 C HETATM 101 CD1 DLE A 7 -10.568 -5.285 -0.881 1.00 0.00 C HETATM 102 CD2 DLE A 7 -11.081 -6.017 -3.212 1.00 0.00 C HETATM 103 C DLE A 7 -7.219 -7.091 -2.979 1.00 0.00 C HETATM 104 O DLE A 7 -7.068 -6.756 -4.143 1.00 0.00 O HETATM 105 H DLE A 7 -8.172 -5.959 -0.071 1.00 0.00 H HETATM 106 HA DLE A 7 -8.638 -5.514 -2.725 1.00 0.00 H HETATM 107 HB2 DLE A 7 -9.494 -8.053 -2.604 1.00 0.00 H HETATM 108 HB3 DLE A 7 -9.268 -7.759 -0.879 1.00 0.00 H HETATM 109 HG DLE A 7 -11.530 -7.125 -1.427 1.00 0.00 H HETATM 110 HD11 DLE A 7 -11.530 -5.000 -0.482 1.00 0.00 H HETATM 111 HD12 DLE A 7 -10.153 -4.461 -1.442 1.00 0.00 H HETATM 112 HD13 DLE A 7 -9.903 -5.539 -0.068 1.00 0.00 H HETATM 113 HD21 DLE A 7 -10.599 -6.658 -3.937 1.00 0.00 H HETATM 114 HD22 DLE A 7 -10.736 -5.003 -3.344 1.00 0.00 H HETATM 115 HD23 DLE A 7 -12.151 -6.055 -3.354 1.00 0.00 H TER 116 DLE A 7 ENDMDL MODEL 6 ATOM 1 N ILE A 1 -9.374 -9.064 4.420 1.00 0.00 N ATOM 2 CA ILE A 1 -9.054 -8.894 2.975 1.00 0.00 C ATOM 3 C ILE A 1 -7.544 -8.969 2.778 1.00 0.00 C ATOM 4 O ILE A 1 -6.774 -8.596 3.662 1.00 0.00 O ATOM 5 CB ILE A 1 -9.576 -7.539 2.496 1.00 0.00 C ATOM 6 CG1 ILE A 1 -8.934 -6.424 3.325 1.00 0.00 C ATOM 7 CG2 ILE A 1 -11.096 -7.486 2.666 1.00 0.00 C ATOM 8 CD1 ILE A 1 -9.338 -5.064 2.754 1.00 0.00 C ATOM 9 H1 ILE A 1 -8.889 -9.908 4.787 1.00 0.00 H ATOM 10 H2 ILE A 1 -10.403 -9.175 4.537 1.00 0.00 H ATOM 11 H3 ILE A 1 -9.054 -8.227 4.947 1.00 0.00 H ATOM 12 HA ILE A 1 -9.530 -9.682 2.408 1.00 0.00 H ATOM 13 HB ILE A 1 -9.326 -7.404 1.453 1.00 0.00 H ATOM 14 HG12 ILE A 1 -9.268 -6.499 4.349 1.00 0.00 H ATOM 15 HG13 ILE A 1 -7.859 -6.522 3.288 1.00 0.00 H ATOM 16 HG21 ILE A 1 -11.562 -8.124 1.929 1.00 0.00 H ATOM 17 HG22 ILE A 1 -11.438 -6.471 2.531 1.00 0.00 H ATOM 18 HG23 ILE A 1 -11.359 -7.827 3.656 1.00 0.00 H ATOM 19 HD11 ILE A 1 -8.901 -4.278 3.353 1.00 0.00 H ATOM 20 HD12 ILE A 1 -10.414 -4.973 2.769 1.00 0.00 H ATOM 21 HD13 ILE A 1 -8.983 -4.980 1.737 1.00 0.00 H ATOM 22 N ASN A 2 -7.128 -9.455 1.613 1.00 0.00 N ATOM 23 CA ASN A 2 -5.707 -9.578 1.311 1.00 0.00 C ATOM 24 C ASN A 2 -5.503 -10.107 -0.104 1.00 0.00 C ATOM 25 O ASN A 2 -6.162 -11.058 -0.524 1.00 0.00 O ATOM 26 CB ASN A 2 -5.042 -10.524 2.313 1.00 0.00 C ATOM 27 CG ASN A 2 -5.883 -11.784 2.478 1.00 0.00 C ATOM 28 OD1 ASN A 2 -5.559 -12.645 3.295 1.00 0.00 O ATOM 29 ND2 ASN A 2 -6.951 -11.945 1.745 1.00 0.00 N ATOM 30 H ASN A 2 -7.788 -9.734 0.944 1.00 0.00 H ATOM 31 HA ASN A 2 -5.246 -8.606 1.392 1.00 0.00 H ATOM 32 HB2 ASN A 2 -4.059 -10.794 1.952 1.00 0.00 H ATOM 33 HB3 ASN A 2 -4.949 -10.028 3.267 1.00 0.00 H ATOM 34 HD21 ASN A 2 -7.208 -11.258 1.095 1.00 0.00 H ATOM 35 HD22 ASN A 2 -7.498 -12.753 1.847 1.00 0.00 H ATOM 36 N CYS A 3 -4.586 -9.484 -0.837 1.00 0.00 N ATOM 37 CA CYS A 3 -4.304 -9.900 -2.207 1.00 0.00 C ATOM 38 C CYS A 3 -2.891 -9.479 -2.686 1.00 0.00 C ATOM 39 O CYS A 3 -2.809 -8.983 -3.809 1.00 0.00 O ATOM 40 CB CYS A 3 -5.359 -9.326 -3.154 1.00 0.00 C ATOM 41 SG CYS A 3 -5.634 -7.580 -2.764 1.00 0.00 S ATOM 42 H CYS A 3 -4.090 -8.732 -0.451 1.00 0.00 H ATOM 43 HA CYS A 3 -4.337 -10.977 -2.259 1.00 0.00 H ATOM 44 HB2 CYS A 3 -5.015 -9.417 -4.174 1.00 0.00 H ATOM 45 HB3 CYS A 3 -6.284 -9.871 -3.036 1.00 0.00 H ATOM 46 N ASP A 4 -1.838 -9.668 -1.899 1.00 0.00 N ATOM 47 CA ASP A 4 -1.983 -10.259 -0.574 1.00 0.00 C ATOM 48 C ASP A 4 -2.272 -9.180 0.465 1.00 0.00 C ATOM 49 O ASP A 4 -2.194 -9.426 1.668 1.00 0.00 O ATOM 50 CB ASP A 4 -0.704 -11.007 -0.192 1.00 0.00 C ATOM 51 CG ASP A 4 -0.938 -11.832 1.069 1.00 0.00 C ATOM 52 OD1 ASP A 4 -2.087 -11.972 1.455 1.00 0.00 O ATOM 53 OD2 ASP A 4 0.034 -12.310 1.630 1.00 0.00 O ATOM 54 H ASP A 4 -0.947 -9.408 -2.215 1.00 0.00 H ATOM 55 HA ASP A 4 -2.804 -10.959 -0.590 1.00 0.00 H ATOM 56 HB2 ASP A 4 -0.418 -11.663 -1.002 1.00 0.00 H ATOM 57 HB3 ASP A 4 0.088 -10.295 -0.011 1.00 0.00 H ATOM 58 N PHE A 5 -2.605 -7.984 -0.009 1.00 0.00 N ATOM 59 CA PHE A 5 -2.907 -6.874 0.887 1.00 0.00 C ATOM 60 C PHE A 5 -3.866 -5.893 0.222 1.00 0.00 C ATOM 61 O PHE A 5 -3.653 -5.479 -0.918 1.00 0.00 O ATOM 62 CB PHE A 5 -1.617 -6.149 1.274 1.00 0.00 C ATOM 63 CG PHE A 5 -0.927 -5.651 0.027 1.00 0.00 C ATOM 64 CD1 PHE A 5 -0.156 -6.531 -0.744 1.00 0.00 C ATOM 65 CD2 PHE A 5 -1.055 -4.312 -0.358 1.00 0.00 C ATOM 66 CE1 PHE A 5 0.485 -6.070 -1.901 1.00 0.00 C ATOM 67 CE2 PHE A 5 -0.414 -3.851 -1.515 1.00 0.00 C ATOM 68 CZ PHE A 5 0.356 -4.730 -2.285 1.00 0.00 C ATOM 69 H PHE A 5 -2.649 -7.845 -0.978 1.00 0.00 H ATOM 70 HA PHE A 5 -3.369 -7.264 1.783 1.00 0.00 H ATOM 71 HB2 PHE A 5 -1.854 -5.311 1.914 1.00 0.00 H ATOM 72 HB3 PHE A 5 -0.964 -6.830 1.800 1.00 0.00 H ATOM 73 HD1 PHE A 5 -0.057 -7.564 -0.447 1.00 0.00 H ATOM 74 HD2 PHE A 5 -1.648 -3.634 0.237 1.00 0.00 H ATOM 75 HE1 PHE A 5 1.078 -6.748 -2.495 1.00 0.00 H ATOM 76 HE2 PHE A 5 -0.514 -2.818 -1.811 1.00 0.00 H ATOM 77 HZ PHE A 5 0.850 -4.375 -3.178 1.00 0.00 H ATOM 78 N LEU A 6 -4.921 -5.524 0.941 1.00 0.00 N ATOM 79 CA LEU A 6 -5.915 -4.603 0.403 1.00 0.00 C ATOM 80 C LEU A 6 -6.348 -5.035 -0.994 1.00 0.00 C ATOM 81 O LEU A 6 -5.642 -4.798 -1.974 1.00 0.00 O ATOM 82 CB LEU A 6 -5.337 -3.187 0.344 1.00 0.00 C ATOM 83 CG LEU A 6 -6.473 -2.167 0.421 1.00 0.00 C ATOM 84 CD1 LEU A 6 -7.509 -2.473 -0.662 1.00 0.00 C ATOM 85 CD2 LEU A 6 -7.138 -2.248 1.797 1.00 0.00 C ATOM 86 H LEU A 6 -5.034 -5.879 1.847 1.00 0.00 H ATOM 87 HA LEU A 6 -6.778 -4.599 1.052 1.00 0.00 H ATOM 88 HB2 LEU A 6 -4.663 -3.040 1.176 1.00 0.00 H ATOM 89 HB3 LEU A 6 -4.799 -3.056 -0.583 1.00 0.00 H ATOM 90 HG LEU A 6 -6.076 -1.173 0.269 1.00 0.00 H ATOM 91 HD11 LEU A 6 -8.152 -1.616 -0.798 1.00 0.00 H ATOM 92 HD12 LEU A 6 -8.101 -3.326 -0.364 1.00 0.00 H ATOM 93 HD13 LEU A 6 -7.003 -2.693 -1.591 1.00 0.00 H ATOM 94 HD21 LEU A 6 -8.046 -2.828 1.724 1.00 0.00 H ATOM 95 HD22 LEU A 6 -7.373 -1.252 2.142 1.00 0.00 H ATOM 96 HD23 LEU A 6 -6.463 -2.721 2.495 1.00 0.00 H HETATM 97 N DLE A 7 -7.512 -5.671 -1.077 1.00 0.00 N HETATM 98 CA DLE A 7 -8.031 -6.127 -2.361 1.00 0.00 C HETATM 99 CB DLE A 7 -9.557 -6.231 -2.300 1.00 0.00 C HETATM 100 CG DLE A 7 -10.170 -4.840 -2.468 1.00 0.00 C HETATM 101 CD1 DLE A 7 -10.371 -4.547 -3.956 1.00 0.00 C HETATM 102 CD2 DLE A 7 -11.521 -4.790 -1.752 1.00 0.00 C HETATM 103 C DLE A 7 -7.442 -7.486 -2.725 1.00 0.00 C HETATM 104 O DLE A 7 -8.110 -8.481 -2.495 1.00 0.00 O HETATM 105 H DLE A 7 -8.030 -5.836 -0.262 1.00 0.00 H HETATM 106 HA DLE A 7 -7.761 -5.412 -3.123 1.00 0.00 H HETATM 107 HB2 DLE A 7 -9.905 -6.878 -3.093 1.00 0.00 H HETATM 108 HB3 DLE A 7 -9.853 -6.639 -1.345 1.00 0.00 H HETATM 109 HG DLE A 7 -9.506 -4.100 -2.041 1.00 0.00 H HETATM 110 HD11 DLE A 7 -10.812 -3.567 -4.073 1.00 0.00 H HETATM 111 HD12 DLE A 7 -11.027 -5.289 -4.384 1.00 0.00 H HETATM 112 HD13 DLE A 7 -9.417 -4.574 -4.461 1.00 0.00 H HETATM 113 HD21 DLE A 7 -11.372 -4.916 -0.690 1.00 0.00 H HETATM 114 HD22 DLE A 7 -12.155 -5.582 -2.123 1.00 0.00 H HETATM 115 HD23 DLE A 7 -11.993 -3.836 -1.939 1.00 0.00 H TER 116 DLE A 7 ENDMDL MODEL 7 ATOM 1 N ILE A 1 -9.392 -9.221 4.383 1.00 0.00 N ATOM 2 CA ILE A 1 -9.016 -8.933 2.971 1.00 0.00 C ATOM 3 C ILE A 1 -7.501 -9.030 2.821 1.00 0.00 C ATOM 4 O ILE A 1 -6.760 -8.851 3.786 1.00 0.00 O ATOM 5 CB ILE A 1 -9.489 -7.527 2.596 1.00 0.00 C ATOM 6 CG1 ILE A 1 -8.787 -6.500 3.487 1.00 0.00 C ATOM 7 CG2 ILE A 1 -11.001 -7.427 2.798 1.00 0.00 C ATOM 8 CD1 ILE A 1 -9.163 -5.088 3.034 1.00 0.00 C ATOM 9 H1 ILE A 1 -10.427 -9.283 4.461 1.00 0.00 H ATOM 10 H2 ILE A 1 -9.042 -8.457 4.997 1.00 0.00 H ATOM 11 H3 ILE A 1 -8.970 -10.124 4.677 1.00 0.00 H ATOM 12 HA ILE A 1 -9.487 -9.656 2.320 1.00 0.00 H ATOM 13 HB ILE A 1 -9.250 -7.332 1.561 1.00 0.00 H ATOM 14 HG12 ILE A 1 -9.095 -6.643 4.513 1.00 0.00 H ATOM 15 HG13 ILE A 1 -7.718 -6.628 3.412 1.00 0.00 H ATOM 16 HG21 ILE A 1 -11.505 -8.025 2.053 1.00 0.00 H ATOM 17 HG22 ILE A 1 -11.310 -6.396 2.700 1.00 0.00 H ATOM 18 HG23 ILE A 1 -11.258 -7.787 3.783 1.00 0.00 H ATOM 19 HD11 ILE A 1 -8.616 -4.364 3.620 1.00 0.00 H ATOM 20 HD12 ILE A 1 -10.223 -4.937 3.172 1.00 0.00 H ATOM 21 HD13 ILE A 1 -8.915 -4.968 1.989 1.00 0.00 H ATOM 22 N ASN A 2 -7.049 -9.314 1.603 1.00 0.00 N ATOM 23 CA ASN A 2 -5.620 -9.431 1.338 1.00 0.00 C ATOM 24 C ASN A 2 -5.378 -10.037 -0.040 1.00 0.00 C ATOM 25 O ASN A 2 -5.865 -11.126 -0.343 1.00 0.00 O ATOM 26 CB ASN A 2 -4.960 -10.306 2.406 1.00 0.00 C ATOM 27 CG ASN A 2 -4.200 -9.433 3.399 1.00 0.00 C ATOM 28 OD1 ASN A 2 -3.264 -9.900 4.048 1.00 0.00 O ATOM 29 ND2 ASN A 2 -4.549 -8.185 3.558 1.00 0.00 N ATOM 30 H ASN A 2 -7.687 -9.448 0.872 1.00 0.00 H ATOM 31 HA ASN A 2 -5.176 -8.446 1.372 1.00 0.00 H ATOM 32 HB2 ASN A 2 -5.720 -10.866 2.929 1.00 0.00 H ATOM 33 HB3 ASN A 2 -4.272 -10.991 1.933 1.00 0.00 H ATOM 34 HD21 ASN A 2 -5.295 -7.815 3.040 1.00 0.00 H ATOM 35 HD22 ASN A 2 -4.066 -7.618 4.195 1.00 0.00 H ATOM 36 N CYS A 3 -4.623 -9.325 -0.870 1.00 0.00 N ATOM 37 CA CYS A 3 -4.331 -9.798 -2.218 1.00 0.00 C ATOM 38 C CYS A 3 -2.867 -9.551 -2.659 1.00 0.00 C ATOM 39 O CYS A 3 -2.699 -9.107 -3.795 1.00 0.00 O ATOM 40 CB CYS A 3 -5.271 -9.126 -3.222 1.00 0.00 C ATOM 41 SG CYS A 3 -6.839 -8.732 -2.408 1.00 0.00 S ATOM 42 H CYS A 3 -4.255 -8.467 -0.570 1.00 0.00 H ATOM 43 HA CYS A 3 -4.487 -10.866 -2.256 1.00 0.00 H ATOM 44 HB2 CYS A 3 -4.816 -8.218 -3.588 1.00 0.00 H ATOM 45 HB3 CYS A 3 -5.453 -9.797 -4.048 1.00 0.00 H ATOM 46 N ASP A 4 -1.864 -9.824 -1.832 1.00 0.00 N ATOM 47 CA ASP A 4 -2.112 -10.350 -0.495 1.00 0.00 C ATOM 48 C ASP A 4 -2.339 -9.213 0.496 1.00 0.00 C ATOM 49 O ASP A 4 -2.237 -9.402 1.707 1.00 0.00 O ATOM 50 CB ASP A 4 -0.921 -11.196 -0.038 1.00 0.00 C ATOM 51 CG ASP A 4 0.306 -10.311 0.150 1.00 0.00 C ATOM 52 OD1 ASP A 4 0.383 -9.648 1.172 1.00 0.00 O ATOM 53 OD2 ASP A 4 1.151 -10.308 -0.730 1.00 0.00 O ATOM 54 H ASP A 4 -0.942 -9.670 -2.126 1.00 0.00 H ATOM 55 HA ASP A 4 -2.992 -10.974 -0.521 1.00 0.00 H ATOM 56 HB2 ASP A 4 -1.163 -11.679 0.898 1.00 0.00 H ATOM 57 HB3 ASP A 4 -0.708 -11.947 -0.784 1.00 0.00 H ATOM 58 N PHE A 5 -2.648 -8.032 -0.029 1.00 0.00 N ATOM 59 CA PHE A 5 -2.881 -6.867 0.818 1.00 0.00 C ATOM 60 C PHE A 5 -3.877 -5.918 0.162 1.00 0.00 C ATOM 61 O PHE A 5 -3.710 -5.527 -0.993 1.00 0.00 O ATOM 62 CB PHE A 5 -1.562 -6.134 1.070 1.00 0.00 C ATOM 63 CG PHE A 5 -0.871 -5.874 -0.247 1.00 0.00 C ATOM 64 CD1 PHE A 5 0.013 -6.823 -0.773 1.00 0.00 C ATOM 65 CD2 PHE A 5 -1.113 -4.683 -0.941 1.00 0.00 C ATOM 66 CE1 PHE A 5 0.654 -6.583 -1.993 1.00 0.00 C ATOM 67 CE2 PHE A 5 -0.472 -4.441 -2.163 1.00 0.00 C ATOM 68 CZ PHE A 5 0.411 -5.392 -2.688 1.00 0.00 C ATOM 69 H PHE A 5 -2.721 -7.941 -1.003 1.00 0.00 H ATOM 70 HA PHE A 5 -3.282 -7.198 1.765 1.00 0.00 H ATOM 71 HB2 PHE A 5 -1.763 -5.193 1.564 1.00 0.00 H ATOM 72 HB3 PHE A 5 -0.926 -6.741 1.697 1.00 0.00 H ATOM 73 HD1 PHE A 5 0.199 -7.743 -0.236 1.00 0.00 H ATOM 74 HD2 PHE A 5 -1.794 -3.949 -0.535 1.00 0.00 H ATOM 75 HE1 PHE A 5 1.335 -7.317 -2.399 1.00 0.00 H ATOM 76 HE2 PHE A 5 -0.658 -3.522 -2.698 1.00 0.00 H ATOM 77 HZ PHE A 5 0.907 -5.207 -3.630 1.00 0.00 H ATOM 78 N LEU A 6 -4.915 -5.549 0.906 1.00 0.00 N ATOM 79 CA LEU A 6 -5.936 -4.648 0.385 1.00 0.00 C ATOM 80 C LEU A 6 -6.432 -5.130 -0.975 1.00 0.00 C ATOM 81 O LEU A 6 -5.766 -4.940 -1.992 1.00 0.00 O ATOM 82 CB LEU A 6 -5.366 -3.235 0.250 1.00 0.00 C ATOM 83 CG LEU A 6 -6.500 -2.215 0.358 1.00 0.00 C ATOM 84 CD1 LEU A 6 -7.588 -2.552 -0.662 1.00 0.00 C ATOM 85 CD2 LEU A 6 -7.092 -2.258 1.768 1.00 0.00 C ATOM 86 H LEU A 6 -4.995 -5.890 1.822 1.00 0.00 H ATOM 87 HA LEU A 6 -6.767 -4.625 1.072 1.00 0.00 H ATOM 88 HB2 LEU A 6 -4.648 -3.060 1.038 1.00 0.00 H ATOM 89 HB3 LEU A 6 -4.880 -3.132 -0.708 1.00 0.00 H ATOM 90 HG LEU A 6 -6.114 -1.226 0.157 1.00 0.00 H ATOM 91 HD11 LEU A 6 -7.132 -2.791 -1.611 1.00 0.00 H ATOM 92 HD12 LEU A 6 -8.244 -1.702 -0.782 1.00 0.00 H ATOM 93 HD13 LEU A 6 -8.159 -3.400 -0.313 1.00 0.00 H ATOM 94 HD21 LEU A 6 -7.296 -1.253 2.105 1.00 0.00 H ATOM 95 HD22 LEU A 6 -6.388 -2.728 2.439 1.00 0.00 H ATOM 96 HD23 LEU A 6 -8.011 -2.827 1.755 1.00 0.00 H HETATM 97 N DLE A 7 -7.603 -5.756 -0.984 1.00 0.00 N HETATM 98 CA DLE A 7 -8.186 -6.248 -2.226 1.00 0.00 C HETATM 99 CB DLE A 7 -9.405 -7.122 -1.922 1.00 0.00 C HETATM 100 CG DLE A 7 -9.934 -7.731 -3.222 1.00 0.00 C HETATM 101 CD1 DLE A 7 -11.197 -8.542 -2.929 1.00 0.00 C HETATM 102 CD2 DLE A 7 -10.266 -6.611 -4.210 1.00 0.00 C HETATM 103 C DLE A 7 -7.162 -7.057 -3.015 1.00 0.00 C HETATM 104 O DLE A 7 -6.998 -6.781 -4.194 1.00 0.00 O HETATM 105 H DLE A 7 -8.085 -5.890 -0.140 1.00 0.00 H HETATM 106 HA DLE A 7 -8.503 -5.405 -2.823 1.00 0.00 H HETATM 107 HB2 DLE A 7 -9.120 -7.912 -1.243 1.00 0.00 H HETATM 108 HB3 DLE A 7 -10.177 -6.519 -1.470 1.00 0.00 H HETATM 109 HG DLE A 7 -9.181 -8.380 -3.648 1.00 0.00 H HETATM 110 HD11 DLE A 7 -11.015 -9.202 -2.094 1.00 0.00 H HETATM 111 HD12 DLE A 7 -11.461 -9.125 -3.799 1.00 0.00 H HETATM 112 HD13 DLE A 7 -12.008 -7.870 -2.687 1.00 0.00 H HETATM 113 HD21 DLE A 7 -9.369 -6.317 -4.736 1.00 0.00 H HETATM 114 HD22 DLE A 7 -10.663 -5.763 -3.674 1.00 0.00 H HETATM 115 HD23 DLE A 7 -10.999 -6.964 -4.921 1.00 0.00 H TER 116 DLE A 7 ENDMDL MODEL 8 ATOM 1 N ILE A 1 -9.079 -9.193 3.220 1.00 0.00 N ATOM 2 CA ILE A 1 -8.813 -8.170 2.170 1.00 0.00 C ATOM 3 C ILE A 1 -7.379 -8.317 1.672 1.00 0.00 C ATOM 4 O ILE A 1 -6.886 -7.481 0.916 1.00 0.00 O ATOM 5 CB ILE A 1 -9.021 -6.773 2.759 1.00 0.00 C ATOM 6 CG1 ILE A 1 -8.137 -6.607 3.997 1.00 0.00 C ATOM 7 CG2 ILE A 1 -10.488 -6.598 3.154 1.00 0.00 C ATOM 8 CD1 ILE A 1 -8.143 -5.140 4.435 1.00 0.00 C ATOM 9 H1 ILE A 1 -10.103 -9.270 3.378 1.00 0.00 H ATOM 10 H2 ILE A 1 -8.611 -8.910 4.105 1.00 0.00 H ATOM 11 H3 ILE A 1 -8.709 -10.114 2.910 1.00 0.00 H ATOM 12 HA ILE A 1 -9.495 -8.317 1.346 1.00 0.00 H ATOM 13 HB ILE A 1 -8.757 -6.029 2.022 1.00 0.00 H ATOM 14 HG12 ILE A 1 -8.518 -7.225 4.797 1.00 0.00 H ATOM 15 HG13 ILE A 1 -7.126 -6.904 3.761 1.00 0.00 H ATOM 16 HG21 ILE A 1 -11.085 -6.443 2.267 1.00 0.00 H ATOM 17 HG22 ILE A 1 -10.586 -5.745 3.808 1.00 0.00 H ATOM 18 HG23 ILE A 1 -10.830 -7.486 3.668 1.00 0.00 H ATOM 19 HD11 ILE A 1 -9.156 -4.765 4.421 1.00 0.00 H ATOM 20 HD12 ILE A 1 -7.535 -4.559 3.759 1.00 0.00 H ATOM 21 HD13 ILE A 1 -7.745 -5.062 5.436 1.00 0.00 H ATOM 22 N ASN A 2 -6.715 -9.385 2.103 1.00 0.00 N ATOM 23 CA ASN A 2 -5.336 -9.629 1.696 1.00 0.00 C ATOM 24 C ASN A 2 -5.285 -10.184 0.277 1.00 0.00 C ATOM 25 O ASN A 2 -5.853 -11.237 -0.009 1.00 0.00 O ATOM 26 CB ASN A 2 -4.676 -10.620 2.658 1.00 0.00 C ATOM 27 CG ASN A 2 -5.041 -10.272 4.097 1.00 0.00 C ATOM 28 OD1 ASN A 2 -5.742 -9.290 4.341 1.00 0.00 O ATOM 29 ND2 ASN A 2 -4.604 -11.023 5.070 1.00 0.00 N ATOM 30 H ASN A 2 -7.160 -10.019 2.704 1.00 0.00 H ATOM 31 HA ASN A 2 -4.791 -8.697 1.729 1.00 0.00 H ATOM 32 HB2 ASN A 2 -5.020 -11.620 2.432 1.00 0.00 H ATOM 33 HB3 ASN A 2 -3.604 -10.574 2.539 1.00 0.00 H ATOM 34 HD21 ASN A 2 -4.045 -11.805 4.873 1.00 0.00 H ATOM 35 HD22 ASN A 2 -4.833 -10.807 5.997 1.00 0.00 H ATOM 36 N CYS A 3 -4.603 -9.467 -0.609 1.00 0.00 N ATOM 37 CA CYS A 3 -4.482 -9.899 -1.997 1.00 0.00 C ATOM 38 C CYS A 3 -3.086 -9.626 -2.617 1.00 0.00 C ATOM 39 O CYS A 3 -3.069 -9.220 -3.779 1.00 0.00 O ATOM 40 CB CYS A 3 -5.546 -9.208 -2.853 1.00 0.00 C ATOM 41 SG CYS A 3 -6.962 -8.767 -1.816 1.00 0.00 S ATOM 42 H CYS A 3 -4.172 -8.633 -0.325 1.00 0.00 H ATOM 43 HA CYS A 3 -4.634 -10.966 -2.046 1.00 0.00 H ATOM 44 HB2 CYS A 3 -5.130 -8.314 -3.293 1.00 0.00 H ATOM 45 HB3 CYS A 3 -5.869 -9.878 -3.636 1.00 0.00 H ATOM 46 N ASP A 4 -1.981 -9.841 -1.910 1.00 0.00 N ATOM 47 CA ASP A 4 -2.047 -10.325 -0.536 1.00 0.00 C ATOM 48 C ASP A 4 -2.189 -9.159 0.437 1.00 0.00 C ATOM 49 O ASP A 4 -1.904 -9.293 1.627 1.00 0.00 O ATOM 50 CB ASP A 4 -0.784 -11.121 -0.201 1.00 0.00 C ATOM 51 CG ASP A 4 -0.731 -12.392 -1.041 1.00 0.00 C ATOM 52 OD1 ASP A 4 -1.763 -12.775 -1.566 1.00 0.00 O ATOM 53 OD2 ASP A 4 0.341 -12.964 -1.147 1.00 0.00 O ATOM 54 H ASP A 4 -1.107 -9.670 -2.319 1.00 0.00 H ATOM 55 HA ASP A 4 -2.904 -10.973 -0.434 1.00 0.00 H ATOM 56 HB2 ASP A 4 0.086 -10.516 -0.410 1.00 0.00 H ATOM 57 HB3 ASP A 4 -0.794 -11.385 0.846 1.00 0.00 H ATOM 58 N PHE A 5 -2.631 -8.015 -0.078 1.00 0.00 N ATOM 59 CA PHE A 5 -2.806 -6.832 0.756 1.00 0.00 C ATOM 60 C PHE A 5 -3.894 -5.930 0.184 1.00 0.00 C ATOM 61 O PHE A 5 -3.824 -5.510 -0.971 1.00 0.00 O ATOM 62 CB PHE A 5 -1.490 -6.054 0.842 1.00 0.00 C ATOM 63 CG PHE A 5 -1.019 -5.707 -0.550 1.00 0.00 C ATOM 64 CD1 PHE A 5 -0.329 -6.657 -1.313 1.00 0.00 C ATOM 65 CD2 PHE A 5 -1.271 -4.436 -1.077 1.00 0.00 C ATOM 66 CE1 PHE A 5 0.108 -6.336 -2.603 1.00 0.00 C ATOM 67 CE2 PHE A 5 -0.834 -4.113 -2.368 1.00 0.00 C ATOM 68 CZ PHE A 5 -0.144 -5.063 -3.130 1.00 0.00 C ATOM 69 H PHE A 5 -2.843 -7.968 -1.032 1.00 0.00 H ATOM 70 HA PHE A 5 -3.093 -7.141 1.749 1.00 0.00 H ATOM 71 HB2 PHE A 5 -1.645 -5.147 1.407 1.00 0.00 H ATOM 72 HB3 PHE A 5 -0.745 -6.662 1.333 1.00 0.00 H ATOM 73 HD1 PHE A 5 -0.134 -7.639 -0.906 1.00 0.00 H ATOM 74 HD2 PHE A 5 -1.803 -3.702 -0.489 1.00 0.00 H ATOM 75 HE1 PHE A 5 0.640 -7.068 -3.192 1.00 0.00 H ATOM 76 HE2 PHE A 5 -1.028 -3.132 -2.775 1.00 0.00 H ATOM 77 HZ PHE A 5 0.193 -4.815 -4.127 1.00 0.00 H ATOM 78 N LEU A 6 -4.903 -5.638 1.000 1.00 0.00 N ATOM 79 CA LEU A 6 -6.002 -4.784 0.564 1.00 0.00 C ATOM 80 C LEU A 6 -6.611 -5.315 -0.731 1.00 0.00 C ATOM 81 O LEU A 6 -6.002 -5.227 -1.797 1.00 0.00 O ATOM 82 CB LEU A 6 -5.501 -3.356 0.346 1.00 0.00 C ATOM 83 CG LEU A 6 -6.655 -2.374 0.546 1.00 0.00 C ATOM 84 CD1 LEU A 6 -7.823 -2.764 -0.361 1.00 0.00 C ATOM 85 CD2 LEU A 6 -7.110 -2.414 2.007 1.00 0.00 C ATOM 86 H LEU A 6 -4.907 -6.001 1.910 1.00 0.00 H ATOM 87 HA LEU A 6 -6.762 -4.774 1.330 1.00 0.00 H ATOM 88 HB2 LEU A 6 -4.715 -3.139 1.054 1.00 0.00 H ATOM 89 HB3 LEU A 6 -5.117 -3.258 -0.659 1.00 0.00 H ATOM 90 HG LEU A 6 -6.325 -1.375 0.298 1.00 0.00 H ATOM 91 HD11 LEU A 6 -8.331 -3.622 0.056 1.00 0.00 H ATOM 92 HD12 LEU A 6 -7.449 -3.009 -1.343 1.00 0.00 H ATOM 93 HD13 LEU A 6 -8.514 -1.938 -0.434 1.00 0.00 H ATOM 94 HD21 LEU A 6 -8.010 -3.005 2.087 1.00 0.00 H ATOM 95 HD22 LEU A 6 -7.307 -1.409 2.351 1.00 0.00 H ATOM 96 HD23 LEU A 6 -6.334 -2.857 2.613 1.00 0.00 H HETATM 97 N DLE A 7 -7.816 -5.865 -0.630 1.00 0.00 N HETATM 98 CA DLE A 7 -8.505 -6.393 -1.802 1.00 0.00 C HETATM 99 CB DLE A 7 -9.720 -7.215 -1.368 1.00 0.00 C HETATM 100 CG DLE A 7 -10.622 -7.471 -2.576 1.00 0.00 C HETATM 101 CD1 DLE A 7 -11.390 -8.778 -2.374 1.00 0.00 C HETATM 102 CD2 DLE A 7 -11.614 -6.315 -2.723 1.00 0.00 C HETATM 103 C DLE A 7 -7.565 -7.266 -2.628 1.00 0.00 C HETATM 104 O DLE A 7 -7.652 -7.210 -3.844 1.00 0.00 O HETATM 105 H DLE A 7 -8.250 -5.918 0.248 1.00 0.00 H HETATM 106 HA DLE A 7 -8.843 -5.567 -2.411 1.00 0.00 H HETATM 107 HB2 DLE A 7 -9.388 -8.159 -0.960 1.00 0.00 H HETATM 108 HB3 DLE A 7 -10.273 -6.672 -0.617 1.00 0.00 H HETATM 109 HG DLE A 7 -10.016 -7.543 -3.469 1.00 0.00 H HETATM 110 HD11 DLE A 7 -11.800 -8.804 -1.376 1.00 0.00 H HETATM 111 HD12 DLE A 7 -10.719 -9.613 -2.511 1.00 0.00 H HETATM 112 HD13 DLE A 7 -12.192 -8.839 -3.094 1.00 0.00 H HETATM 113 HD21 DLE A 7 -11.074 -5.392 -2.872 1.00 0.00 H HETATM 114 HD22 DLE A 7 -12.214 -6.240 -1.827 1.00 0.00 H HETATM 115 HD23 DLE A 7 -12.257 -6.498 -3.572 1.00 0.00 H TER 116 DLE A 7 ENDMDL MODEL 9 ATOM 1 N ILE A 1 -9.355 -8.889 4.286 1.00 0.00 N ATOM 2 CA ILE A 1 -8.963 -8.660 2.867 1.00 0.00 C ATOM 3 C ILE A 1 -7.453 -8.829 2.726 1.00 0.00 C ATOM 4 O ILE A 1 -6.697 -8.544 3.654 1.00 0.00 O ATOM 5 CB ILE A 1 -9.370 -7.246 2.450 1.00 0.00 C ATOM 6 CG1 ILE A 1 -8.517 -6.226 3.207 1.00 0.00 C ATOM 7 CG2 ILE A 1 -10.847 -7.021 2.782 1.00 0.00 C ATOM 8 CD1 ILE A 1 -9.022 -4.814 2.906 1.00 0.00 C ATOM 9 H1 ILE A 1 -8.884 -9.745 4.643 1.00 0.00 H ATOM 10 H2 ILE A 1 -10.387 -9.010 4.344 1.00 0.00 H ATOM 11 H3 ILE A 1 -9.068 -8.073 4.861 1.00 0.00 H ATOM 12 HA ILE A 1 -9.464 -9.380 2.236 1.00 0.00 H ATOM 13 HB ILE A 1 -9.219 -7.127 1.386 1.00 0.00 H ATOM 14 HG12 ILE A 1 -8.586 -6.416 4.268 1.00 0.00 H ATOM 15 HG13 ILE A 1 -7.488 -6.312 2.892 1.00 0.00 H ATOM 16 HG21 ILE A 1 -10.971 -6.973 3.854 1.00 0.00 H ATOM 17 HG22 ILE A 1 -11.433 -7.838 2.388 1.00 0.00 H ATOM 18 HG23 ILE A 1 -11.178 -6.094 2.339 1.00 0.00 H ATOM 19 HD11 ILE A 1 -9.962 -4.653 3.412 1.00 0.00 H ATOM 20 HD12 ILE A 1 -9.163 -4.700 1.841 1.00 0.00 H ATOM 21 HD13 ILE A 1 -8.299 -4.091 3.253 1.00 0.00 H ATOM 22 N ASN A 2 -7.022 -9.295 1.558 1.00 0.00 N ATOM 23 CA ASN A 2 -5.601 -9.500 1.307 1.00 0.00 C ATOM 24 C ASN A 2 -5.379 -10.057 -0.096 1.00 0.00 C ATOM 25 O ASN A 2 -5.923 -11.103 -0.452 1.00 0.00 O ATOM 26 CB ASN A 2 -5.022 -10.469 2.339 1.00 0.00 C ATOM 27 CG ASN A 2 -5.985 -11.631 2.561 1.00 0.00 C ATOM 28 OD1 ASN A 2 -7.044 -11.687 1.937 1.00 0.00 O ATOM 29 ND2 ASN A 2 -5.678 -12.567 3.418 1.00 0.00 N ATOM 30 H ASN A 2 -7.670 -9.503 0.853 1.00 0.00 H ATOM 31 HA ASN A 2 -5.089 -8.554 1.392 1.00 0.00 H ATOM 32 HB2 ASN A 2 -4.076 -10.850 1.984 1.00 0.00 H ATOM 33 HB3 ASN A 2 -4.870 -9.949 3.273 1.00 0.00 H ATOM 34 HD21 ASN A 2 -4.834 -12.519 3.913 1.00 0.00 H ATOM 35 HD22 ASN A 2 -6.292 -13.316 3.565 1.00 0.00 H ATOM 36 N CYS A 3 -4.576 -9.353 -0.887 1.00 0.00 N ATOM 37 CA CYS A 3 -4.290 -9.787 -2.250 1.00 0.00 C ATOM 38 C CYS A 3 -2.830 -9.515 -2.678 1.00 0.00 C ATOM 39 O CYS A 3 -2.661 -9.051 -3.805 1.00 0.00 O ATOM 40 CB CYS A 3 -5.235 -9.092 -3.229 1.00 0.00 C ATOM 41 SG CYS A 3 -6.828 -8.794 -2.422 1.00 0.00 S ATOM 42 H CYS A 3 -4.171 -8.527 -0.549 1.00 0.00 H ATOM 43 HA CYS A 3 -4.441 -10.854 -2.316 1.00 0.00 H ATOM 44 HB2 CYS A 3 -4.807 -8.150 -3.537 1.00 0.00 H ATOM 45 HB3 CYS A 3 -5.384 -9.721 -4.095 1.00 0.00 H ATOM 46 N ASP A 4 -1.829 -9.787 -1.847 1.00 0.00 N ATOM 47 CA ASP A 4 -2.078 -10.336 -0.520 1.00 0.00 C ATOM 48 C ASP A 4 -2.319 -9.216 0.487 1.00 0.00 C ATOM 49 O ASP A 4 -2.246 -9.430 1.698 1.00 0.00 O ATOM 50 CB ASP A 4 -0.883 -11.179 -0.071 1.00 0.00 C ATOM 51 CG ASP A 4 -0.815 -12.464 -0.890 1.00 0.00 C ATOM 52 OD1 ASP A 4 -1.747 -12.719 -1.635 1.00 0.00 O ATOM 53 OD2 ASP A 4 0.169 -13.174 -0.761 1.00 0.00 O ATOM 54 H ASP A 4 -0.907 -9.615 -2.133 1.00 0.00 H ATOM 55 HA ASP A 4 -2.953 -10.966 -0.559 1.00 0.00 H ATOM 56 HB2 ASP A 4 0.027 -10.616 -0.213 1.00 0.00 H ATOM 57 HB3 ASP A 4 -0.992 -11.428 0.974 1.00 0.00 H ATOM 58 N PHE A 5 -2.605 -8.022 -0.020 1.00 0.00 N ATOM 59 CA PHE A 5 -2.853 -6.874 0.844 1.00 0.00 C ATOM 60 C PHE A 5 -3.898 -5.952 0.225 1.00 0.00 C ATOM 61 O PHE A 5 -3.746 -5.499 -0.910 1.00 0.00 O ATOM 62 CB PHE A 5 -1.553 -6.097 1.068 1.00 0.00 C ATOM 63 CG PHE A 5 -0.831 -5.935 -0.248 1.00 0.00 C ATOM 64 CD1 PHE A 5 0.082 -6.909 -0.670 1.00 0.00 C ATOM 65 CD2 PHE A 5 -1.075 -4.811 -1.045 1.00 0.00 C ATOM 66 CE1 PHE A 5 0.752 -6.758 -1.890 1.00 0.00 C ATOM 67 CE2 PHE A 5 -0.405 -4.660 -2.265 1.00 0.00 C ATOM 68 CZ PHE A 5 0.508 -5.634 -2.688 1.00 0.00 C ATOM 69 H PHE A 5 -2.649 -7.910 -0.994 1.00 0.00 H ATOM 70 HA PHE A 5 -3.217 -7.226 1.797 1.00 0.00 H ATOM 71 HB2 PHE A 5 -1.782 -5.124 1.477 1.00 0.00 H ATOM 72 HB3 PHE A 5 -0.924 -6.640 1.758 1.00 0.00 H ATOM 73 HD1 PHE A 5 0.269 -7.777 -0.055 1.00 0.00 H ATOM 74 HD2 PHE A 5 -1.779 -4.060 -0.720 1.00 0.00 H ATOM 75 HE1 PHE A 5 1.456 -7.509 -2.216 1.00 0.00 H ATOM 76 HE2 PHE A 5 -0.592 -3.792 -2.882 1.00 0.00 H ATOM 77 HZ PHE A 5 1.025 -5.518 -3.629 1.00 0.00 H ATOM 78 N LEU A 6 -4.959 -5.678 0.977 1.00 0.00 N ATOM 79 CA LEU A 6 -6.028 -4.815 0.488 1.00 0.00 C ATOM 80 C LEU A 6 -6.512 -5.285 -0.880 1.00 0.00 C ATOM 81 O LEU A 6 -5.831 -5.099 -1.888 1.00 0.00 O ATOM 82 CB LEU A 6 -5.529 -3.372 0.387 1.00 0.00 C ATOM 83 CG LEU A 6 -6.508 -2.552 -0.454 1.00 0.00 C ATOM 84 CD1 LEU A 6 -7.931 -2.762 0.067 1.00 0.00 C ATOM 85 CD2 LEU A 6 -6.143 -1.068 -0.355 1.00 0.00 C ATOM 86 H LEU A 6 -5.024 -6.063 1.876 1.00 0.00 H ATOM 87 HA LEU A 6 -6.853 -4.851 1.183 1.00 0.00 H ATOM 88 HB2 LEU A 6 -5.459 -2.946 1.377 1.00 0.00 H ATOM 89 HB3 LEU A 6 -4.557 -3.359 -0.081 1.00 0.00 H ATOM 90 HG LEU A 6 -6.452 -2.870 -1.485 1.00 0.00 H ATOM 91 HD11 LEU A 6 -7.912 -2.837 1.144 1.00 0.00 H ATOM 92 HD12 LEU A 6 -8.336 -3.671 -0.350 1.00 0.00 H ATOM 93 HD13 LEU A 6 -8.548 -1.925 -0.224 1.00 0.00 H ATOM 94 HD21 LEU A 6 -6.137 -0.768 0.682 1.00 0.00 H ATOM 95 HD22 LEU A 6 -6.873 -0.482 -0.895 1.00 0.00 H ATOM 96 HD23 LEU A 6 -5.165 -0.909 -0.783 1.00 0.00 H HETATM 97 N DLE A 7 -7.693 -5.894 -0.906 1.00 0.00 N HETATM 98 CA DLE A 7 -8.268 -6.371 -2.160 1.00 0.00 C HETATM 99 CB DLE A 7 -9.451 -7.297 -1.873 1.00 0.00 C HETATM 100 CG DLE A 7 -9.966 -7.889 -3.186 1.00 0.00 C HETATM 101 CD1 DLE A 7 -11.196 -8.754 -2.909 1.00 0.00 C HETATM 102 CD2 DLE A 7 -10.346 -6.755 -4.140 1.00 0.00 C HETATM 103 C DLE A 7 -7.221 -7.117 -2.980 1.00 0.00 C HETATM 104 O DLE A 7 -7.079 -6.803 -4.150 1.00 0.00 O HETATM 105 H DLE A 7 -8.185 -6.027 -0.070 1.00 0.00 H HETATM 106 HA DLE A 7 -8.619 -5.522 -2.728 1.00 0.00 H HETATM 107 HB2 DLE A 7 -9.132 -8.094 -1.218 1.00 0.00 H HETATM 108 HB3 DLE A 7 -10.242 -6.735 -1.399 1.00 0.00 H HETATM 109 HG DLE A 7 -9.193 -8.496 -3.635 1.00 0.00 H HETATM 110 HD11 DLE A 7 -11.655 -9.037 -3.844 1.00 0.00 H HETATM 111 HD12 DLE A 7 -11.904 -8.194 -2.315 1.00 0.00 H HETATM 112 HD13 DLE A 7 -10.898 -9.642 -2.371 1.00 0.00 H HETATM 113 HD21 DLE A 7 -10.776 -5.939 -3.578 1.00 0.00 H HETATM 114 HD22 DLE A 7 -11.067 -7.115 -4.859 1.00 0.00 H HETATM 115 HD23 DLE A 7 -9.464 -6.409 -4.659 1.00 0.00 H TER 116 DLE A 7 ENDMDL MODEL 10 ATOM 1 N ILE A 1 -9.241 -9.486 3.150 1.00 0.00 N ATOM 2 CA ILE A 1 -9.020 -8.465 2.087 1.00 0.00 C ATOM 3 C ILE A 1 -7.622 -8.638 1.503 1.00 0.00 C ATOM 4 O ILE A 1 -7.325 -8.135 0.419 1.00 0.00 O ATOM 5 CB ILE A 1 -9.163 -7.066 2.690 1.00 0.00 C ATOM 6 CG1 ILE A 1 -7.982 -6.791 3.624 1.00 0.00 C ATOM 7 CG2 ILE A 1 -10.468 -6.984 3.485 1.00 0.00 C ATOM 8 CD1 ILE A 1 -8.213 -5.473 4.365 1.00 0.00 C ATOM 9 H1 ILE A 1 -10.203 -9.387 3.531 1.00 0.00 H ATOM 10 H2 ILE A 1 -8.548 -9.347 3.913 1.00 0.00 H ATOM 11 H3 ILE A 1 -9.127 -10.438 2.746 1.00 0.00 H ATOM 12 HA ILE A 1 -9.753 -8.596 1.305 1.00 0.00 H ATOM 13 HB ILE A 1 -9.178 -6.332 1.898 1.00 0.00 H ATOM 14 HG12 ILE A 1 -7.892 -7.596 4.338 1.00 0.00 H ATOM 15 HG13 ILE A 1 -7.074 -6.721 3.044 1.00 0.00 H ATOM 16 HG21 ILE A 1 -11.280 -7.366 2.883 1.00 0.00 H ATOM 17 HG22 ILE A 1 -10.666 -5.955 3.745 1.00 0.00 H ATOM 18 HG23 ILE A 1 -10.380 -7.573 4.385 1.00 0.00 H ATOM 19 HD11 ILE A 1 -8.974 -5.613 5.118 1.00 0.00 H ATOM 20 HD12 ILE A 1 -8.535 -4.718 3.664 1.00 0.00 H ATOM 21 HD13 ILE A 1 -7.293 -5.159 4.836 1.00 0.00 H ATOM 22 N ASN A 2 -6.767 -9.354 2.227 1.00 0.00 N ATOM 23 CA ASN A 2 -5.402 -9.587 1.770 1.00 0.00 C ATOM 24 C ASN A 2 -5.401 -10.179 0.364 1.00 0.00 C ATOM 25 O ASN A 2 -6.101 -11.153 0.091 1.00 0.00 O ATOM 26 CB ASN A 2 -4.686 -10.541 2.728 1.00 0.00 C ATOM 27 CG ASN A 2 -4.876 -10.075 4.167 1.00 0.00 C ATOM 28 OD1 ASN A 2 -5.472 -9.025 4.407 1.00 0.00 O ATOM 29 ND2 ASN A 2 -4.401 -10.796 5.145 1.00 0.00 N ATOM 30 H ASN A 2 -7.059 -9.730 3.083 1.00 0.00 H ATOM 31 HA ASN A 2 -4.872 -8.646 1.755 1.00 0.00 H ATOM 32 HB2 ASN A 2 -5.096 -11.534 2.616 1.00 0.00 H ATOM 33 HB3 ASN A 2 -3.632 -10.560 2.494 1.00 0.00 H ATOM 34 HD21 ASN A 2 -3.927 -11.632 4.952 1.00 0.00 H ATOM 35 HD22 ASN A 2 -4.519 -10.502 6.072 1.00 0.00 H ATOM 36 N CYS A 3 -4.611 -9.583 -0.523 1.00 0.00 N ATOM 37 CA CYS A 3 -4.528 -10.060 -1.898 1.00 0.00 C ATOM 38 C CYS A 3 -3.220 -9.638 -2.615 1.00 0.00 C ATOM 39 O CYS A 3 -3.329 -9.221 -3.768 1.00 0.00 O ATOM 40 CB CYS A 3 -5.730 -9.555 -2.700 1.00 0.00 C ATOM 41 SG CYS A 3 -5.948 -7.782 -2.407 1.00 0.00 S ATOM 42 H CYS A 3 -4.076 -8.810 -0.248 1.00 0.00 H ATOM 43 HA CYS A 3 -4.541 -11.139 -1.897 1.00 0.00 H ATOM 44 HB2 CYS A 3 -5.558 -9.726 -3.752 1.00 0.00 H ATOM 45 HB3 CYS A 3 -6.618 -10.083 -2.388 1.00 0.00 H ATOM 46 N ASP A 4 -2.050 -9.745 -1.992 1.00 0.00 N ATOM 47 CA ASP A 4 -1.968 -10.243 -0.624 1.00 0.00 C ATOM 48 C ASP A 4 -2.152 -9.104 0.374 1.00 0.00 C ATOM 49 O ASP A 4 -1.919 -9.270 1.570 1.00 0.00 O ATOM 50 CB ASP A 4 -0.612 -10.912 -0.394 1.00 0.00 C ATOM 51 CG ASP A 4 -0.519 -12.197 -1.210 1.00 0.00 C ATOM 52 OD1 ASP A 4 -1.539 -12.622 -1.728 1.00 0.00 O ATOM 53 OD2 ASP A 4 0.571 -12.737 -1.306 1.00 0.00 O ATOM 54 H ASP A 4 -1.230 -9.483 -2.460 1.00 0.00 H ATOM 55 HA ASP A 4 -2.747 -10.973 -0.469 1.00 0.00 H ATOM 56 HB2 ASP A 4 0.176 -10.238 -0.694 1.00 0.00 H ATOM 57 HB3 ASP A 4 -0.503 -11.147 0.655 1.00 0.00 H ATOM 58 N PHE A 5 -2.571 -7.947 -0.128 1.00 0.00 N ATOM 59 CA PHE A 5 -2.788 -6.787 0.730 1.00 0.00 C ATOM 60 C PHE A 5 -3.826 -5.853 0.116 1.00 0.00 C ATOM 61 O PHE A 5 -3.789 -5.569 -1.081 1.00 0.00 O ATOM 62 CB PHE A 5 -1.472 -6.031 0.928 1.00 0.00 C ATOM 63 CG PHE A 5 -0.975 -5.527 -0.406 1.00 0.00 C ATOM 64 CD1 PHE A 5 -0.286 -6.387 -1.268 1.00 0.00 C ATOM 65 CD2 PHE A 5 -1.203 -4.196 -0.779 1.00 0.00 C ATOM 66 CE1 PHE A 5 0.175 -5.920 -2.504 1.00 0.00 C ATOM 67 CE2 PHE A 5 -0.742 -3.728 -2.016 1.00 0.00 C ATOM 68 CZ PHE A 5 -0.053 -4.590 -2.878 1.00 0.00 C ATOM 69 H PHE A 5 -2.737 -7.871 -1.091 1.00 0.00 H ATOM 70 HA PHE A 5 -3.144 -7.125 1.691 1.00 0.00 H ATOM 71 HB2 PHE A 5 -1.635 -5.195 1.593 1.00 0.00 H ATOM 72 HB3 PHE A 5 -0.737 -6.695 1.358 1.00 0.00 H ATOM 73 HD1 PHE A 5 -0.110 -7.413 -0.978 1.00 0.00 H ATOM 74 HD2 PHE A 5 -1.735 -3.532 -0.115 1.00 0.00 H ATOM 75 HE1 PHE A 5 0.706 -6.584 -3.169 1.00 0.00 H ATOM 76 HE2 PHE A 5 -0.919 -2.703 -2.304 1.00 0.00 H ATOM 77 HZ PHE A 5 0.302 -4.229 -3.831 1.00 0.00 H ATOM 78 N LEU A 6 -4.751 -5.380 0.944 1.00 0.00 N ATOM 79 CA LEU A 6 -5.805 -4.492 0.469 1.00 0.00 C ATOM 80 C LEU A 6 -6.433 -5.041 -0.808 1.00 0.00 C ATOM 81 O LEU A 6 -5.898 -4.862 -1.902 1.00 0.00 O ATOM 82 CB LEU A 6 -5.232 -3.099 0.198 1.00 0.00 C ATOM 83 CG LEU A 6 -6.340 -2.054 0.345 1.00 0.00 C ATOM 84 CD1 LEU A 6 -5.807 -0.682 -0.076 1.00 0.00 C ATOM 85 CD2 LEU A 6 -7.522 -2.436 -0.549 1.00 0.00 C ATOM 86 H LEU A 6 -4.724 -5.632 1.891 1.00 0.00 H ATOM 87 HA LEU A 6 -6.567 -4.413 1.228 1.00 0.00 H ATOM 88 HB2 LEU A 6 -4.444 -2.891 0.907 1.00 0.00 H ATOM 89 HB3 LEU A 6 -4.835 -3.061 -0.804 1.00 0.00 H ATOM 90 HG LEU A 6 -6.662 -2.013 1.375 1.00 0.00 H ATOM 91 HD11 LEU A 6 -6.493 0.086 0.250 1.00 0.00 H ATOM 92 HD12 LEU A 6 -5.713 -0.647 -1.151 1.00 0.00 H ATOM 93 HD13 LEU A 6 -4.840 -0.518 0.375 1.00 0.00 H ATOM 94 HD21 LEU A 6 -8.069 -3.249 -0.093 1.00 0.00 H ATOM 95 HD22 LEU A 6 -7.156 -2.747 -1.516 1.00 0.00 H ATOM 96 HD23 LEU A 6 -8.174 -1.584 -0.667 1.00 0.00 H HETATM 97 N DLE A 7 -7.572 -5.710 -0.661 1.00 0.00 N HETATM 98 CA DLE A 7 -8.269 -6.275 -1.810 1.00 0.00 C HETATM 99 CB DLE A 7 -9.770 -6.358 -1.522 1.00 0.00 C HETATM 100 CG DLE A 7 -10.523 -6.657 -2.819 1.00 0.00 C HETATM 101 CD1 DLE A 7 -11.821 -7.399 -2.498 1.00 0.00 C HETATM 102 CD2 DLE A 7 -10.850 -5.344 -3.533 1.00 0.00 C HETATM 103 C DLE A 7 -7.734 -7.667 -2.131 1.00 0.00 C HETATM 104 O DLE A 7 -8.363 -8.630 -1.726 1.00 0.00 O HETATM 105 H DLE A 7 -7.950 -5.826 0.236 1.00 0.00 H HETATM 106 HA DLE A 7 -8.113 -5.635 -2.664 1.00 0.00 H HETATM 107 HB2 DLE A 7 -9.956 -7.146 -0.807 1.00 0.00 H HETATM 108 HB3 DLE A 7 -10.112 -5.417 -1.119 1.00 0.00 H HETATM 109 HG DLE A 7 -9.907 -7.273 -3.459 1.00 0.00 H HETATM 110 HD11 DLE A 7 -12.354 -6.870 -1.720 1.00 0.00 H HETATM 111 HD12 DLE A 7 -11.591 -8.398 -2.160 1.00 0.00 H HETATM 112 HD13 DLE A 7 -12.436 -7.450 -3.384 1.00 0.00 H HETATM 113 HD21 DLE A 7 -9.934 -4.827 -3.774 1.00 0.00 H HETATM 114 HD22 DLE A 7 -11.453 -4.724 -2.886 1.00 0.00 H HETATM 115 HD23 DLE A 7 -11.396 -5.552 -4.441 1.00 0.00 H TER 116 DLE A 7 ENDMDL CONECT 41 103 CONECT 80 97 CONECT 97 80 98 105 CONECT 98 97 99 103 106 CONECT 99 98 100 107 108 CONECT 100 99 101 102 109 CONECT 101 100 110 111 112 CONECT 102 100 113 114 115 CONECT 103 41 98 104 CONECT 104 103 CONECT 105 97 CONECT 106 98 CONECT 107 99 CONECT 108 99 CONECT 109 100 CONECT 110 101 CONECT 111 101 CONECT 112 101 CONECT 113 102 CONECT 114 102 CONECT 115 102 MASTER 107 0 1 0 0 0 0 6 57 1 21 1 END