HEADER UNKNOWN FUNCTION 01-AUG-13 SMS21037 TITLE STRUCTURE OF AIP-III_DF5 COMPND MOL_ID: 1; COMPND 2 MOLECULE: AIP-III_DF5; COMPND 3 CHAIN: A; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 SYNTHETIC: YES KEYWDS AUTOINDUCING PEPTIDE DF5, 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 SMS21037. 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_DF5, 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 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 86.83 43.29 REMARK 500 1 ASP A 4 165.40 67.81 REMARK 500 1 LEU A 6 -12.43 -46.39 REMARK 500 2 CYS A 3 86.92 41.99 REMARK 500 2 ASP A 4 176.89 66.01 REMARK 500 2 LEU A 6 22.56 -68.97 REMARK 500 3 ASN A 2 63.60 -150.43 REMARK 500 3 CYS A 3 86.88 42.87 REMARK 500 3 ASP A 4 165.35 67.84 REMARK 500 3 LEU A 6 -11.71 -46.70 REMARK 500 4 CYS A 3 97.20 52.05 REMARK 500 4 ASP A 4 171.74 64.90 REMARK 500 4 DPN A 5 -11.74 -59.72 REMARK 500 4 LEU A 6 26.56 -72.83 REMARK 500 5 CYS A 3 89.87 38.72 REMARK 500 5 ASP A 4 157.52 68.38 REMARK 500 6 CYS A 3 89.95 50.33 REMARK 500 6 ASP A 4 157.23 68.55 REMARK 500 7 ASN A 2 71.52 -150.56 REMARK 500 7 CYS A 3 89.73 42.69 REMARK 500 7 ASP A 4 157.51 68.55 REMARK 500 8 CYS A 3 89.56 39.74 REMARK 500 8 ASP A 4 157.12 68.63 REMARK 500 9 ASN A 2 72.05 -155.89 REMARK 500 9 CYS A 3 86.32 44.29 REMARK 500 9 ASP A 4 165.41 67.91 REMARK 500 9 LEU A 6 -12.05 -46.47 REMARK 500 10 CYS A 3 94.38 38.56 REMARK 500 10 ASP A 4 171.94 65.25 REMARK 500 10 LEU A 6 25.41 -73.21 REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: SMS21037 RELATED DB: BMRB DBREF A 1 7 BMRB SMS21037 SMS21037 1 7 SEQRES 1 A 7 ILE ASN CYS ASP DPN LEU LEU HET DPN A 5 20 HETNAM DPN D-PHENYLALANINE FORMUL 1 DPN C9 H11 N O2 LINK C ASP A 4 N DPN A 5 1555 1555 1.33 LINK C DPN A 5 N LEU A 6 1555 1555 1.33 LINK SG CYS A 3 C LEU A 7 1555 1555 1.81 CISPEP 1 CYS A 3 ASP A 4 1 -0.16 CISPEP 2 CYS A 3 ASP A 4 2 -0.12 CISPEP 3 CYS A 3 ASP A 4 3 -0.07 CISPEP 4 CYS A 3 ASP A 4 4 0.04 CISPEP 5 CYS A 3 ASP A 4 5 -0.08 CISPEP 6 CYS A 3 ASP A 4 6 -0.15 CISPEP 7 CYS A 3 ASP A 4 7 -0.19 CISPEP 8 CYS A 3 ASP A 4 8 -0.17 CISPEP 9 CYS A 3 ASP A 4 9 -0.11 CISPEP 10 CYS A 3 ASP A 4 10 -0.19 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 23.787 -2.891 6.798 1.00 0.00 N ATOM 2 CA ILE A 1 23.916 -2.674 5.329 1.00 0.00 C ATOM 3 C ILE A 1 22.561 -2.891 4.663 1.00 0.00 C ATOM 4 O ILE A 1 21.800 -3.774 5.058 1.00 0.00 O ATOM 5 CB ILE A 1 24.941 -3.658 4.760 1.00 0.00 C ATOM 6 CG1 ILE A 1 24.483 -5.090 5.044 1.00 0.00 C ATOM 7 CG2 ILE A 1 26.299 -3.419 5.420 1.00 0.00 C ATOM 8 CD1 ILE A 1 25.534 -6.075 4.528 1.00 0.00 C ATOM 9 H1 ILE A 1 24.409 -3.670 7.090 1.00 0.00 H ATOM 10 H2 ILE A 1 22.800 -3.130 7.026 1.00 0.00 H ATOM 11 H3 ILE A 1 24.060 -2.024 7.302 1.00 0.00 H ATOM 12 HA ILE A 1 24.248 -1.663 5.143 1.00 0.00 H ATOM 13 HB ILE A 1 25.028 -3.510 3.694 1.00 0.00 H ATOM 14 HG12 ILE A 1 24.355 -5.223 6.108 1.00 0.00 H ATOM 15 HG13 ILE A 1 23.544 -5.274 4.542 1.00 0.00 H ATOM 16 HG21 ILE A 1 26.263 -3.743 6.449 1.00 0.00 H ATOM 17 HG22 ILE A 1 26.538 -2.366 5.383 1.00 0.00 H ATOM 18 HG23 ILE A 1 27.059 -3.978 4.893 1.00 0.00 H ATOM 19 HD11 ILE A 1 25.137 -7.078 4.563 1.00 0.00 H ATOM 20 HD12 ILE A 1 26.416 -6.016 5.148 1.00 0.00 H ATOM 21 HD13 ILE A 1 25.793 -5.825 3.510 1.00 0.00 H ATOM 22 N ASN A 2 22.268 -2.082 3.652 1.00 0.00 N ATOM 23 CA ASN A 2 21.000 -2.194 2.939 1.00 0.00 C ATOM 24 C ASN A 2 21.182 -1.840 1.466 1.00 0.00 C ATOM 25 O ASN A 2 20.666 -0.827 0.993 1.00 0.00 O ATOM 26 CB ASN A 2 19.964 -1.260 3.566 1.00 0.00 C ATOM 27 CG ASN A 2 19.746 -1.631 5.029 1.00 0.00 C ATOM 28 OD1 ASN A 2 19.659 -2.812 5.365 1.00 0.00 O ATOM 29 ND2 ASN A 2 19.651 -0.687 5.925 1.00 0.00 N ATOM 30 H ASN A 2 22.914 -1.397 3.380 1.00 0.00 H ATOM 31 HA ASN A 2 20.645 -3.210 3.015 1.00 0.00 H ATOM 32 HB2 ASN A 2 20.315 -0.241 3.503 1.00 0.00 H ATOM 33 HB3 ASN A 2 19.030 -1.351 3.031 1.00 0.00 H ATOM 34 HD21 ASN A 2 19.720 0.253 5.655 1.00 0.00 H ATOM 35 HD22 ASN A 2 19.510 -0.917 6.866 1.00 0.00 H ATOM 36 N CYS A 3 21.917 -2.681 0.747 1.00 0.00 N ATOM 37 CA CYS A 3 22.160 -2.447 -0.672 1.00 0.00 C ATOM 38 C CYS A 3 22.492 -0.958 -0.939 1.00 0.00 C ATOM 39 O CYS A 3 21.505 -0.287 -1.238 1.00 0.00 O ATOM 40 CB CYS A 3 20.905 -2.789 -1.479 1.00 0.00 C ATOM 41 SG CYS A 3 20.733 -4.586 -1.593 1.00 0.00 S ATOM 42 H CYS A 3 22.303 -3.473 1.177 1.00 0.00 H ATOM 43 HA CYS A 3 22.968 -3.084 -0.999 1.00 0.00 H ATOM 44 HB2 CYS A 3 20.038 -2.373 -0.988 1.00 0.00 H ATOM 45 HB3 CYS A 3 20.992 -2.372 -2.472 1.00 0.00 H ATOM 46 N ASP A 4 23.717 -0.449 -0.858 1.00 0.00 N ATOM 47 CA ASP A 4 24.859 -1.283 -0.499 1.00 0.00 C ATOM 48 C ASP A 4 25.152 -2.294 -1.603 1.00 0.00 C ATOM 49 O ASP A 4 24.328 -2.515 -2.490 1.00 0.00 O ATOM 50 CB ASP A 4 24.573 -2.022 0.809 1.00 0.00 C ATOM 51 CG ASP A 4 25.818 -2.020 1.691 1.00 0.00 C ATOM 52 OD1 ASP A 4 26.610 -2.938 1.567 1.00 0.00 O ATOM 53 OD2 ASP A 4 25.958 -1.099 2.479 1.00 0.00 O ATOM 54 H ASP A 4 23.855 0.503 -1.043 1.00 0.00 H ATOM 55 HA ASP A 4 25.724 -0.652 -0.361 1.00 0.00 H ATOM 56 HB2 ASP A 4 23.764 -1.532 1.330 1.00 0.00 H ATOM 57 HB3 ASP A 4 24.293 -3.042 0.591 1.00 0.00 H HETATM 58 N DPN A 5 26.331 -2.903 -1.542 1.00 0.00 N HETATM 59 CA DPN A 5 26.722 -3.891 -2.541 1.00 0.00 C HETATM 60 C DPN A 5 25.741 -5.059 -2.554 1.00 0.00 C HETATM 61 O DPN A 5 25.437 -5.614 -3.609 1.00 0.00 O HETATM 62 CB DPN A 5 26.766 -3.243 -3.926 1.00 0.00 C HETATM 63 CG DPN A 5 26.932 -4.314 -4.978 1.00 0.00 C HETATM 64 CD1 DPN A 5 28.046 -5.161 -4.946 1.00 0.00 C HETATM 65 CD2 DPN A 5 25.970 -4.459 -5.986 1.00 0.00 C HETATM 66 CE1 DPN A 5 28.199 -6.153 -5.922 1.00 0.00 C HETATM 67 CE2 DPN A 5 26.124 -5.452 -6.961 1.00 0.00 C HETATM 68 CZ DPN A 5 27.239 -6.299 -6.929 1.00 0.00 C HETATM 69 H DPN A 5 26.948 -2.687 -0.813 1.00 0.00 H HETATM 70 HA DPN A 5 27.706 -4.264 -2.300 1.00 0.00 H HETATM 71 HB2 DPN A 5 25.847 -2.705 -4.101 1.00 0.00 H HETATM 72 HB3 DPN A 5 27.600 -2.558 -3.977 1.00 0.00 H HETATM 73 HD1 DPN A 5 28.788 -5.048 -4.169 1.00 0.00 H HETATM 74 HD2 DPN A 5 25.110 -3.806 -6.010 1.00 0.00 H HETATM 75 HE1 DPN A 5 29.059 -6.806 -5.897 1.00 0.00 H HETATM 76 HE2 DPN A 5 25.383 -5.564 -7.738 1.00 0.00 H HETATM 77 HZ DPN A 5 27.357 -7.064 -7.682 1.00 0.00 H ATOM 78 N LEU A 6 25.247 -5.423 -1.376 1.00 0.00 N ATOM 79 CA LEU A 6 24.307 -6.533 -1.263 1.00 0.00 C ATOM 80 C LEU A 6 23.218 -6.422 -2.324 1.00 0.00 C ATOM 81 O LEU A 6 22.462 -7.367 -2.551 1.00 0.00 O ATOM 82 CB LEU A 6 23.669 -6.537 0.128 1.00 0.00 C ATOM 83 CG LEU A 6 23.597 -7.972 0.653 1.00 0.00 C ATOM 84 CD1 LEU A 6 23.055 -7.966 2.083 1.00 0.00 C ATOM 85 CD2 LEU A 6 22.666 -8.794 -0.241 1.00 0.00 C ATOM 86 H LEU A 6 25.519 -4.939 -0.569 1.00 0.00 H ATOM 87 HA LEU A 6 24.841 -7.460 -1.403 1.00 0.00 H ATOM 88 HB2 LEU A 6 24.266 -5.937 0.799 1.00 0.00 H ATOM 89 HB3 LEU A 6 22.673 -6.128 0.068 1.00 0.00 H ATOM 90 HG LEU A 6 24.586 -8.408 0.645 1.00 0.00 H ATOM 91 HD11 LEU A 6 23.724 -7.408 2.720 1.00 0.00 H ATOM 92 HD12 LEU A 6 22.979 -8.982 2.443 1.00 0.00 H ATOM 93 HD13 LEU A 6 22.078 -7.506 2.096 1.00 0.00 H ATOM 94 HD21 LEU A 6 22.366 -9.691 0.280 1.00 0.00 H ATOM 95 HD22 LEU A 6 23.183 -9.062 -1.150 1.00 0.00 H ATOM 96 HD23 LEU A 6 21.791 -8.210 -0.484 1.00 0.00 H ATOM 97 N LEU A 7 23.144 -5.264 -2.971 1.00 0.00 N ATOM 98 CA LEU A 7 22.142 -5.042 -4.007 1.00 0.00 C ATOM 99 C LEU A 7 20.762 -4.851 -3.384 1.00 0.00 C ATOM 100 O LEU A 7 19.804 -5.344 -3.955 1.00 0.00 O ATOM 101 CB LEU A 7 22.110 -6.231 -4.968 1.00 0.00 C ATOM 102 CG LEU A 7 21.901 -5.727 -6.397 1.00 0.00 C ATOM 103 CD1 LEU A 7 22.109 -6.880 -7.380 1.00 0.00 C ATOM 104 CD2 LEU A 7 20.477 -5.185 -6.542 1.00 0.00 C ATOM 105 H LEU A 7 23.774 -4.548 -2.748 1.00 0.00 H ATOM 106 HA LEU A 7 22.402 -4.152 -4.561 1.00 0.00 H ATOM 107 HB2 LEU A 7 23.046 -6.767 -4.907 1.00 0.00 H ATOM 108 HB3 LEU A 7 21.299 -6.890 -4.699 1.00 0.00 H ATOM 109 HG LEU A 7 22.610 -4.940 -6.608 1.00 0.00 H ATOM 110 HD11 LEU A 7 21.856 -6.551 -8.378 1.00 0.00 H ATOM 111 HD12 LEU A 7 21.476 -7.709 -7.103 1.00 0.00 H ATOM 112 HD13 LEU A 7 23.143 -7.192 -7.356 1.00 0.00 H ATOM 113 HD21 LEU A 7 20.368 -4.294 -5.942 1.00 0.00 H ATOM 114 HD22 LEU A 7 19.771 -5.932 -6.207 1.00 0.00 H ATOM 115 HD23 LEU A 7 20.285 -4.949 -7.578 1.00 0.00 H TER 116 LEU A 7 ENDMDL MODEL 2 ATOM 1 N ILE A 1 24.026 -2.670 6.824 1.00 0.00 N ATOM 2 CA ILE A 1 24.074 -2.438 5.352 1.00 0.00 C ATOM 3 C ILE A 1 22.730 -2.813 4.736 1.00 0.00 C ATOM 4 O ILE A 1 22.053 -3.728 5.209 1.00 0.00 O ATOM 5 CB ILE A 1 25.185 -3.291 4.740 1.00 0.00 C ATOM 6 CG1 ILE A 1 24.933 -4.765 5.067 1.00 0.00 C ATOM 7 CG2 ILE A 1 26.535 -2.866 5.321 1.00 0.00 C ATOM 8 CD1 ILE A 1 26.038 -5.623 4.446 1.00 0.00 C ATOM 9 H1 ILE A 1 23.465 -3.523 7.022 1.00 0.00 H ATOM 10 H2 ILE A 1 23.587 -1.849 7.289 1.00 0.00 H ATOM 11 H3 ILE A 1 24.992 -2.800 7.186 1.00 0.00 H ATOM 12 HA ILE A 1 24.275 -1.394 5.160 1.00 0.00 H ATOM 13 HB ILE A 1 25.196 -3.155 3.669 1.00 0.00 H ATOM 14 HG12 ILE A 1 24.929 -4.901 6.138 1.00 0.00 H ATOM 15 HG13 ILE A 1 23.978 -5.065 4.662 1.00 0.00 H ATOM 16 HG21 ILE A 1 27.329 -3.373 4.794 1.00 0.00 H ATOM 17 HG22 ILE A 1 26.574 -3.127 6.368 1.00 0.00 H ATOM 18 HG23 ILE A 1 26.654 -1.799 5.210 1.00 0.00 H ATOM 19 HD11 ILE A 1 25.739 -6.661 4.458 1.00 0.00 H ATOM 20 HD12 ILE A 1 26.948 -5.503 5.015 1.00 0.00 H ATOM 21 HD13 ILE A 1 26.207 -5.309 3.426 1.00 0.00 H ATOM 22 N ASN A 2 22.350 -2.104 3.680 1.00 0.00 N ATOM 23 CA ASN A 2 21.084 -2.371 3.006 1.00 0.00 C ATOM 24 C ASN A 2 21.206 -2.106 1.509 1.00 0.00 C ATOM 25 O ASN A 2 20.562 -1.205 0.974 1.00 0.00 O ATOM 26 CB ASN A 2 19.982 -1.489 3.595 1.00 0.00 C ATOM 27 CG ASN A 2 18.613 -2.011 3.170 1.00 0.00 C ATOM 28 OD1 ASN A 2 18.479 -3.178 2.805 1.00 0.00 O ATOM 29 ND2 ASN A 2 17.583 -1.209 3.195 1.00 0.00 N ATOM 30 H ASN A 2 22.929 -1.387 3.346 1.00 0.00 H ATOM 31 HA ASN A 2 20.819 -3.407 3.158 1.00 0.00 H ATOM 32 HB2 ASN A 2 20.051 -1.500 4.673 1.00 0.00 H ATOM 33 HB3 ASN A 2 20.105 -0.477 3.238 1.00 0.00 H ATOM 34 HD21 ASN A 2 17.693 -0.280 3.487 1.00 0.00 H ATOM 35 HD22 ASN A 2 16.701 -1.537 2.924 1.00 0.00 H ATOM 36 N CYS A 3 22.037 -2.898 0.839 1.00 0.00 N ATOM 37 CA CYS A 3 22.237 -2.739 -0.596 1.00 0.00 C ATOM 38 C CYS A 3 22.343 -1.248 -0.985 1.00 0.00 C ATOM 39 O CYS A 3 21.272 -0.742 -1.321 1.00 0.00 O ATOM 40 CB CYS A 3 21.049 -3.331 -1.357 1.00 0.00 C ATOM 41 SG CYS A 3 21.179 -2.897 -3.110 1.00 0.00 S ATOM 42 H CYS A 3 22.526 -3.600 1.318 1.00 0.00 H ATOM 43 HA CYS A 3 23.133 -3.265 -0.887 1.00 0.00 H ATOM 44 HB2 CYS A 3 21.052 -4.405 -1.250 1.00 0.00 H ATOM 45 HB3 CYS A 3 20.129 -2.931 -0.955 1.00 0.00 H ATOM 46 N ASP A 4 23.488 -0.575 -0.960 1.00 0.00 N ATOM 47 CA ASP A 4 24.732 -1.217 -0.554 1.00 0.00 C ATOM 48 C ASP A 4 25.133 -2.293 -1.557 1.00 0.00 C ATOM 49 O ASP A 4 24.409 -2.560 -2.518 1.00 0.00 O ATOM 50 CB ASP A 4 24.567 -1.844 0.832 1.00 0.00 C ATOM 51 CG ASP A 4 25.811 -1.582 1.674 1.00 0.00 C ATOM 52 OD1 ASP A 4 25.971 -0.460 2.126 1.00 0.00 O ATOM 53 OD2 ASP A 4 26.586 -2.507 1.855 1.00 0.00 O ATOM 54 H ASP A 4 23.495 0.371 -1.220 1.00 0.00 H ATOM 55 HA ASP A 4 25.512 -0.472 -0.508 1.00 0.00 H ATOM 56 HB2 ASP A 4 23.706 -1.414 1.320 1.00 0.00 H ATOM 57 HB3 ASP A 4 24.425 -2.910 0.728 1.00 0.00 H HETATM 58 N DPN A 5 26.288 -2.908 -1.329 1.00 0.00 N HETATM 59 CA DPN A 5 26.774 -3.955 -2.221 1.00 0.00 C HETATM 60 C DPN A 5 25.782 -5.113 -2.280 1.00 0.00 C HETATM 61 O DPN A 5 25.787 -5.899 -3.227 1.00 0.00 O HETATM 62 CB DPN A 5 26.985 -3.389 -3.625 1.00 0.00 C HETATM 63 CG DPN A 5 27.306 -4.514 -4.579 1.00 0.00 C HETATM 64 CD1 DPN A 5 28.425 -5.326 -4.353 1.00 0.00 C HETATM 65 CD2 DPN A 5 26.488 -4.746 -5.691 1.00 0.00 C HETATM 66 CE1 DPN A 5 28.724 -6.369 -5.237 1.00 0.00 C HETATM 67 CE2 DPN A 5 26.786 -5.789 -6.575 1.00 0.00 C HETATM 68 CZ DPN A 5 27.904 -6.601 -6.348 1.00 0.00 C HETATM 69 H DPN A 5 26.823 -2.653 -0.548 1.00 0.00 H HETATM 70 HA DPN A 5 27.718 -4.322 -1.848 1.00 0.00 H HETATM 71 HB2 DPN A 5 26.085 -2.887 -3.950 1.00 0.00 H HETATM 72 HB3 DPN A 5 27.804 -2.685 -3.611 1.00 0.00 H HETATM 73 HD1 DPN A 5 29.057 -5.146 -3.496 1.00 0.00 H HETATM 74 HD2 DPN A 5 25.625 -4.120 -5.865 1.00 0.00 H HETATM 75 HE1 DPN A 5 29.586 -6.995 -5.063 1.00 0.00 H HETATM 76 HE2 DPN A 5 26.154 -5.968 -7.432 1.00 0.00 H HETATM 77 HZ DPN A 5 28.135 -7.405 -7.030 1.00 0.00 H ATOM 78 N LEU A 6 24.932 -5.209 -1.262 1.00 0.00 N ATOM 79 CA LEU A 6 23.952 -6.287 -1.199 1.00 0.00 C ATOM 80 C LEU A 6 22.891 -6.110 -2.281 1.00 0.00 C ATOM 81 O LEU A 6 21.781 -6.631 -2.167 1.00 0.00 O ATOM 82 CB LEU A 6 23.283 -6.303 0.176 1.00 0.00 C ATOM 83 CG LEU A 6 23.155 -7.747 0.665 1.00 0.00 C ATOM 84 CD1 LEU A 6 22.633 -7.756 2.103 1.00 0.00 C ATOM 85 CD2 LEU A 6 22.176 -8.504 -0.236 1.00 0.00 C ATOM 86 H LEU A 6 24.965 -4.546 -0.542 1.00 0.00 H ATOM 87 HA LEU A 6 24.455 -7.229 -1.353 1.00 0.00 H ATOM 88 HB2 LEU A 6 23.883 -5.738 0.875 1.00 0.00 H ATOM 89 HB3 LEU A 6 22.300 -5.861 0.105 1.00 0.00 H ATOM 90 HG LEU A 6 24.123 -8.226 0.630 1.00 0.00 H ATOM 91 HD11 LEU A 6 21.662 -7.284 2.137 1.00 0.00 H ATOM 92 HD12 LEU A 6 23.319 -7.214 2.737 1.00 0.00 H ATOM 93 HD13 LEU A 6 22.551 -8.776 2.449 1.00 0.00 H ATOM 94 HD21 LEU A 6 22.605 -8.614 -1.221 1.00 0.00 H ATOM 95 HD22 LEU A 6 21.251 -7.952 -0.306 1.00 0.00 H ATOM 96 HD23 LEU A 6 21.983 -9.480 0.184 1.00 0.00 H ATOM 97 N LEU A 7 23.240 -5.372 -3.330 1.00 0.00 N ATOM 98 CA LEU A 7 22.310 -5.133 -4.427 1.00 0.00 C ATOM 99 C LEU A 7 21.017 -4.514 -3.907 1.00 0.00 C ATOM 100 O LEU A 7 20.102 -5.264 -3.609 1.00 0.00 O ATOM 101 CB LEU A 7 21.997 -6.448 -5.142 1.00 0.00 C ATOM 102 CG LEU A 7 22.842 -6.552 -6.413 1.00 0.00 C ATOM 103 CD1 LEU A 7 23.077 -8.025 -6.752 1.00 0.00 C ATOM 104 CD2 LEU A 7 22.105 -5.874 -7.570 1.00 0.00 C ATOM 105 H LEU A 7 24.139 -4.982 -3.366 1.00 0.00 H ATOM 106 HA LEU A 7 22.766 -4.453 -5.131 1.00 0.00 H ATOM 107 HB2 LEU A 7 22.227 -7.277 -4.488 1.00 0.00 H ATOM 108 HB3 LEU A 7 20.951 -6.475 -5.405 1.00 0.00 H ATOM 109 HG LEU A 7 23.792 -6.063 -6.254 1.00 0.00 H ATOM 110 HD11 LEU A 7 23.672 -8.096 -7.650 1.00 0.00 H ATOM 111 HD12 LEU A 7 22.127 -8.514 -6.911 1.00 0.00 H ATOM 112 HD13 LEU A 7 23.597 -8.503 -5.936 1.00 0.00 H ATOM 113 HD21 LEU A 7 21.299 -6.511 -7.906 1.00 0.00 H ATOM 114 HD22 LEU A 7 22.792 -5.705 -8.386 1.00 0.00 H ATOM 115 HD23 LEU A 7 21.702 -4.929 -7.237 1.00 0.00 H TER 116 LEU A 7 ENDMDL MODEL 3 ATOM 1 N ILE A 1 23.780 -2.869 6.802 1.00 0.00 N ATOM 2 CA ILE A 1 23.908 -2.784 5.320 1.00 0.00 C ATOM 3 C ILE A 1 22.525 -2.900 4.685 1.00 0.00 C ATOM 4 O ILE A 1 21.685 -3.675 5.143 1.00 0.00 O ATOM 5 CB ILE A 1 24.807 -3.917 4.822 1.00 0.00 C ATOM 6 CG1 ILE A 1 24.186 -5.264 5.202 1.00 0.00 C ATOM 7 CG2 ILE A 1 26.188 -3.794 5.468 1.00 0.00 C ATOM 8 CD1 ILE A 1 25.128 -6.396 4.787 1.00 0.00 C ATOM 9 H1 ILE A 1 24.727 -2.890 7.231 1.00 0.00 H ATOM 10 H2 ILE A 1 23.264 -3.736 7.056 1.00 0.00 H ATOM 11 H3 ILE A 1 23.261 -2.040 7.153 1.00 0.00 H ATOM 12 HA ILE A 1 24.346 -1.833 5.051 1.00 0.00 H ATOM 13 HB ILE A 1 24.905 -3.853 3.748 1.00 0.00 H ATOM 14 HG12 ILE A 1 24.028 -5.298 6.270 1.00 0.00 H ATOM 15 HG13 ILE A 1 23.240 -5.380 4.694 1.00 0.00 H ATOM 16 HG21 ILE A 1 26.533 -2.773 5.389 1.00 0.00 H ATOM 17 HG22 ILE A 1 26.882 -4.447 4.961 1.00 0.00 H ATOM 18 HG23 ILE A 1 26.125 -4.073 6.509 1.00 0.00 H ATOM 19 HD11 ILE A 1 25.973 -6.425 5.459 1.00 0.00 H ATOM 20 HD12 ILE A 1 25.476 -6.224 3.779 1.00 0.00 H ATOM 21 HD13 ILE A 1 24.600 -7.336 4.830 1.00 0.00 H ATOM 22 N ASN A 2 22.297 -2.126 3.630 1.00 0.00 N ATOM 23 CA ASN A 2 21.012 -2.149 2.941 1.00 0.00 C ATOM 24 C ASN A 2 21.191 -1.809 1.464 1.00 0.00 C ATOM 25 O ASN A 2 20.679 -0.798 0.984 1.00 0.00 O ATOM 26 CB ASN A 2 20.054 -1.146 3.586 1.00 0.00 C ATOM 27 CG ASN A 2 20.554 0.276 3.352 1.00 0.00 C ATOM 28 OD1 ASN A 2 21.707 0.474 2.970 1.00 0.00 O ATOM 29 ND2 ASN A 2 19.751 1.282 3.562 1.00 0.00 N ATOM 30 H ASN A 2 23.005 -1.527 3.309 1.00 0.00 H ATOM 31 HA ASN A 2 20.589 -3.139 3.024 1.00 0.00 H ATOM 32 HB2 ASN A 2 19.072 -1.257 3.149 1.00 0.00 H ATOM 33 HB3 ASN A 2 19.998 -1.336 4.647 1.00 0.00 H ATOM 34 HD21 ASN A 2 18.833 1.122 3.867 1.00 0.00 H ATOM 35 HD22 ASN A 2 20.064 2.198 3.415 1.00 0.00 H ATOM 36 N CYS A 3 21.919 -2.660 0.749 1.00 0.00 N ATOM 37 CA CYS A 3 22.159 -2.439 -0.671 1.00 0.00 C ATOM 38 C CYS A 3 22.489 -0.952 -0.954 1.00 0.00 C ATOM 39 O CYS A 3 21.499 -0.285 -1.254 1.00 0.00 O ATOM 40 CB CYS A 3 20.905 -2.791 -1.474 1.00 0.00 C ATOM 41 SG CYS A 3 20.744 -4.590 -1.583 1.00 0.00 S ATOM 42 H CYS A 3 22.303 -3.450 1.186 1.00 0.00 H ATOM 43 HA CYS A 3 22.968 -3.077 -0.994 1.00 0.00 H ATOM 44 HB2 CYS A 3 20.036 -2.381 -0.980 1.00 0.00 H ATOM 45 HB3 CYS A 3 20.984 -2.374 -2.467 1.00 0.00 H ATOM 46 N ASP A 4 23.712 -0.440 -0.882 1.00 0.00 N ATOM 47 CA ASP A 4 24.857 -1.268 -0.520 1.00 0.00 C ATOM 48 C ASP A 4 25.149 -2.288 -1.617 1.00 0.00 C ATOM 49 O ASP A 4 24.321 -2.520 -2.498 1.00 0.00 O ATOM 50 CB ASP A 4 24.579 -1.997 0.796 1.00 0.00 C ATOM 51 CG ASP A 4 25.826 -1.984 1.673 1.00 0.00 C ATOM 52 OD1 ASP A 4 26.295 -0.902 1.986 1.00 0.00 O ATOM 53 OD2 ASP A 4 26.294 -3.056 2.018 1.00 0.00 O ATOM 54 H ASP A 4 23.849 0.511 -1.077 1.00 0.00 H ATOM 55 HA ASP A 4 25.721 -0.635 -0.392 1.00 0.00 H ATOM 56 HB2 ASP A 4 23.770 -1.503 1.315 1.00 0.00 H ATOM 57 HB3 ASP A 4 24.299 -3.019 0.588 1.00 0.00 H HETATM 58 N DPN A 5 26.330 -2.893 -1.556 1.00 0.00 N HETATM 59 CA DPN A 5 26.720 -3.888 -2.549 1.00 0.00 C HETATM 60 C DPN A 5 25.742 -5.058 -2.547 1.00 0.00 C HETATM 61 O DPN A 5 25.443 -5.631 -3.596 1.00 0.00 O HETATM 62 CB DPN A 5 26.755 -3.251 -3.939 1.00 0.00 C HETATM 63 CG DPN A 5 26.922 -4.329 -4.983 1.00 0.00 C HETATM 64 CD1 DPN A 5 28.042 -5.167 -4.951 1.00 0.00 C HETATM 65 CD2 DPN A 5 25.955 -4.492 -5.984 1.00 0.00 C HETATM 66 CE1 DPN A 5 28.197 -6.167 -5.919 1.00 0.00 C HETATM 67 CE2 DPN A 5 26.110 -5.492 -6.951 1.00 0.00 C HETATM 68 CZ DPN A 5 27.231 -6.329 -6.919 1.00 0.00 C HETATM 69 H DPN A 5 26.950 -2.667 -0.831 1.00 0.00 H HETATM 70 HA DPN A 5 27.706 -4.254 -2.309 1.00 0.00 H HETATM 71 HB2 DPN A 5 25.831 -2.719 -4.116 1.00 0.00 H HETATM 72 HB3 DPN A 5 27.585 -2.562 -3.999 1.00 0.00 H HETATM 73 HD1 DPN A 5 28.788 -5.042 -4.180 1.00 0.00 H HETATM 74 HD2 DPN A 5 25.090 -3.845 -6.008 1.00 0.00 H HETATM 75 HE1 DPN A 5 29.061 -6.814 -5.894 1.00 0.00 H HETATM 76 HE2 DPN A 5 25.364 -5.615 -7.722 1.00 0.00 H HETATM 77 HZ DPN A 5 27.350 -7.101 -7.666 1.00 0.00 H ATOM 78 N LEU A 6 25.248 -5.409 -1.365 1.00 0.00 N ATOM 79 CA LEU A 6 24.312 -6.520 -1.238 1.00 0.00 C ATOM 80 C LEU A 6 23.218 -6.423 -2.296 1.00 0.00 C ATOM 81 O LEU A 6 22.454 -7.366 -2.502 1.00 0.00 O ATOM 82 CB LEU A 6 23.679 -6.513 0.156 1.00 0.00 C ATOM 83 CG LEU A 6 23.618 -7.942 0.696 1.00 0.00 C ATOM 84 CD1 LEU A 6 23.085 -7.925 2.129 1.00 0.00 C ATOM 85 CD2 LEU A 6 22.687 -8.779 -0.184 1.00 0.00 C ATOM 86 H LEU A 6 25.516 -4.911 -0.565 1.00 0.00 H ATOM 87 HA LEU A 6 24.849 -7.447 -1.372 1.00 0.00 H ATOM 88 HB2 LEU A 6 24.275 -5.902 0.818 1.00 0.00 H ATOM 89 HB3 LEU A 6 22.679 -6.110 0.095 1.00 0.00 H ATOM 90 HG LEU A 6 24.609 -8.373 0.685 1.00 0.00 H ATOM 91 HD11 LEU A 6 23.224 -8.899 2.577 1.00 0.00 H ATOM 92 HD12 LEU A 6 22.034 -7.680 2.118 1.00 0.00 H ATOM 93 HD13 LEU A 6 23.621 -7.185 2.704 1.00 0.00 H ATOM 94 HD21 LEU A 6 22.400 -9.675 0.346 1.00 0.00 H ATOM 95 HD22 LEU A 6 23.198 -9.049 -1.096 1.00 0.00 H ATOM 96 HD23 LEU A 6 21.804 -8.205 -0.424 1.00 0.00 H ATOM 97 N LEU A 7 23.148 -5.276 -2.964 1.00 0.00 N ATOM 98 CA LEU A 7 22.142 -5.066 -3.999 1.00 0.00 C ATOM 99 C LEU A 7 20.766 -4.858 -3.373 1.00 0.00 C ATOM 100 O LEU A 7 19.800 -5.340 -3.941 1.00 0.00 O ATOM 101 CB LEU A 7 22.100 -6.272 -4.939 1.00 0.00 C ATOM 102 CG LEU A 7 21.894 -5.791 -6.376 1.00 0.00 C ATOM 103 CD1 LEU A 7 22.098 -6.961 -7.341 1.00 0.00 C ATOM 104 CD2 LEU A 7 20.473 -5.246 -6.532 1.00 0.00 C ATOM 105 H LEU A 7 23.785 -4.559 -2.758 1.00 0.00 H ATOM 106 HA LEU A 7 22.404 -4.187 -4.569 1.00 0.00 H ATOM 107 HB2 LEU A 7 23.032 -6.814 -4.870 1.00 0.00 H ATOM 108 HB3 LEU A 7 21.284 -6.919 -4.658 1.00 0.00 H ATOM 109 HG LEU A 7 22.609 -5.012 -6.601 1.00 0.00 H ATOM 110 HD11 LEU A 7 21.523 -7.810 -7.003 1.00 0.00 H ATOM 111 HD12 LEU A 7 23.145 -7.224 -7.371 1.00 0.00 H ATOM 112 HD13 LEU A 7 21.771 -6.675 -8.329 1.00 0.00 H ATOM 113 HD21 LEU A 7 20.371 -4.338 -5.956 1.00 0.00 H ATOM 114 HD22 LEU A 7 19.765 -5.979 -6.177 1.00 0.00 H ATOM 115 HD23 LEU A 7 20.280 -5.034 -7.574 1.00 0.00 H TER 116 LEU A 7 ENDMDL MODEL 4 ATOM 1 N ILE A 1 23.917 -3.037 6.685 1.00 0.00 N ATOM 2 CA ILE A 1 23.910 -2.479 5.302 1.00 0.00 C ATOM 3 C ILE A 1 22.629 -2.904 4.592 1.00 0.00 C ATOM 4 O ILE A 1 22.132 -4.011 4.796 1.00 0.00 O ATOM 5 CB ILE A 1 25.128 -3.002 4.539 1.00 0.00 C ATOM 6 CG1 ILE A 1 25.105 -4.533 4.531 1.00 0.00 C ATOM 7 CG2 ILE A 1 26.408 -2.516 5.221 1.00 0.00 C ATOM 8 CD1 ILE A 1 26.314 -5.057 3.755 1.00 0.00 C ATOM 9 H1 ILE A 1 23.907 -4.075 6.640 1.00 0.00 H ATOM 10 H2 ILE A 1 23.075 -2.702 7.197 1.00 0.00 H ATOM 11 H3 ILE A 1 24.773 -2.721 7.181 1.00 0.00 H ATOM 12 HA ILE A 1 23.952 -1.401 5.351 1.00 0.00 H ATOM 13 HB ILE A 1 25.100 -2.634 3.523 1.00 0.00 H ATOM 14 HG12 ILE A 1 25.143 -4.898 5.548 1.00 0.00 H ATOM 15 HG13 ILE A 1 24.198 -4.878 4.059 1.00 0.00 H ATOM 16 HG21 ILE A 1 26.366 -1.443 5.341 1.00 0.00 H ATOM 17 HG22 ILE A 1 27.261 -2.779 4.615 1.00 0.00 H ATOM 18 HG23 ILE A 1 26.497 -2.982 6.192 1.00 0.00 H ATOM 19 HD11 ILE A 1 27.219 -4.822 4.295 1.00 0.00 H ATOM 20 HD12 ILE A 1 26.344 -4.594 2.780 1.00 0.00 H ATOM 21 HD13 ILE A 1 26.231 -6.129 3.641 1.00 0.00 H ATOM 22 N ASN A 2 22.099 -2.014 3.758 1.00 0.00 N ATOM 23 CA ASN A 2 20.874 -2.308 3.023 1.00 0.00 C ATOM 24 C ASN A 2 21.086 -2.104 1.526 1.00 0.00 C ATOM 25 O ASN A 2 20.339 -1.373 0.877 1.00 0.00 O ATOM 26 CB ASN A 2 19.743 -1.397 3.507 1.00 0.00 C ATOM 27 CG ASN A 2 19.498 -1.619 4.996 1.00 0.00 C ATOM 28 OD1 ASN A 2 19.351 -0.657 5.751 1.00 0.00 O ATOM 29 ND2 ASN A 2 19.445 -2.834 5.465 1.00 0.00 N ATOM 30 H ASN A 2 22.538 -1.147 3.635 1.00 0.00 H ATOM 31 HA ASN A 2 20.595 -3.335 3.201 1.00 0.00 H ATOM 32 HB2 ASN A 2 20.016 -0.366 3.338 1.00 0.00 H ATOM 33 HB3 ASN A 2 18.841 -1.625 2.959 1.00 0.00 H ATOM 34 HD21 ASN A 2 19.563 -3.598 4.863 1.00 0.00 H ATOM 35 HD22 ASN A 2 19.289 -2.984 6.422 1.00 0.00 H ATOM 36 N CYS A 3 22.109 -2.758 0.985 1.00 0.00 N ATOM 37 CA CYS A 3 22.411 -2.642 -0.437 1.00 0.00 C ATOM 38 C CYS A 3 22.517 -1.154 -0.848 1.00 0.00 C ATOM 39 O CYS A 3 21.429 -0.626 -1.078 1.00 0.00 O ATOM 40 CB CYS A 3 21.283 -3.261 -1.263 1.00 0.00 C ATOM 41 SG CYS A 3 21.576 -2.941 -3.020 1.00 0.00 S ATOM 42 H CYS A 3 22.671 -3.328 1.551 1.00 0.00 H ATOM 43 HA CYS A 3 23.327 -3.173 -0.645 1.00 0.00 H ATOM 44 HB2 CYS A 3 21.253 -4.327 -1.091 1.00 0.00 H ATOM 45 HB3 CYS A 3 20.340 -2.823 -0.971 1.00 0.00 H ATOM 46 N ASP A 4 23.672 -0.505 -0.945 1.00 0.00 N ATOM 47 CA ASP A 4 24.938 -1.173 -0.664 1.00 0.00 C ATOM 48 C ASP A 4 25.197 -2.280 -1.680 1.00 0.00 C ATOM 49 O ASP A 4 24.329 -2.612 -2.486 1.00 0.00 O ATOM 50 CB ASP A 4 24.913 -1.766 0.746 1.00 0.00 C ATOM 51 CG ASP A 4 26.125 -1.282 1.536 1.00 0.00 C ATOM 52 OD1 ASP A 4 26.013 -0.251 2.180 1.00 0.00 O ATOM 53 OD2 ASP A 4 27.144 -1.949 1.487 1.00 0.00 O ATOM 54 H ASP A 4 23.674 0.438 -1.211 1.00 0.00 H ATOM 55 HA ASP A 4 25.736 -0.448 -0.723 1.00 0.00 H ATOM 56 HB2 ASP A 4 24.009 -1.455 1.249 1.00 0.00 H ATOM 57 HB3 ASP A 4 24.936 -2.843 0.682 1.00 0.00 H HETATM 58 N DPN A 5 26.397 -2.849 -1.633 1.00 0.00 N HETATM 59 CA DPN A 5 26.759 -3.922 -2.552 1.00 0.00 C HETATM 60 C DPN A 5 25.814 -5.108 -2.389 1.00 0.00 C HETATM 61 O DPN A 5 25.807 -6.026 -3.209 1.00 0.00 O HETATM 62 CB DPN A 5 26.701 -3.416 -3.995 1.00 0.00 C HETATM 63 CG DPN A 5 26.729 -4.592 -4.943 1.00 0.00 C HETATM 64 CD1 DPN A 5 27.770 -5.526 -4.870 1.00 0.00 C HETATM 65 CD2 DPN A 5 25.714 -4.748 -5.894 1.00 0.00 C HETATM 66 CE1 DPN A 5 27.796 -6.615 -5.748 1.00 0.00 C HETATM 67 CE2 DPN A 5 25.740 -5.838 -6.772 1.00 0.00 C HETATM 68 CZ DPN A 5 26.781 -6.772 -6.700 1.00 0.00 C HETATM 69 H DPN A 5 27.051 -2.541 -0.971 1.00 0.00 H HETATM 70 HA DPN A 5 27.766 -4.245 -2.336 1.00 0.00 H HETATM 71 HB2 DPN A 5 25.792 -2.855 -4.143 1.00 0.00 H HETATM 72 HB3 DPN A 5 27.553 -2.780 -4.187 1.00 0.00 H HETATM 73 HD1 DPN A 5 28.553 -5.405 -4.136 1.00 0.00 H HETATM 74 HD2 DPN A 5 24.912 -4.028 -5.950 1.00 0.00 H HETATM 75 HE1 DPN A 5 28.599 -7.335 -5.692 1.00 0.00 H HETATM 76 HE2 DPN A 5 24.957 -5.958 -7.507 1.00 0.00 H HETATM 77 HZ DPN A 5 26.801 -7.612 -7.377 1.00 0.00 H ATOM 78 N LEU A 6 25.017 -5.082 -1.326 1.00 0.00 N ATOM 79 CA LEU A 6 24.077 -6.164 -1.061 1.00 0.00 C ATOM 80 C LEU A 6 22.909 -6.113 -2.041 1.00 0.00 C ATOM 81 O LEU A 6 21.808 -6.573 -1.736 1.00 0.00 O ATOM 82 CB LEU A 6 23.548 -6.058 0.371 1.00 0.00 C ATOM 83 CG LEU A 6 23.488 -7.453 0.997 1.00 0.00 C ATOM 84 CD1 LEU A 6 23.106 -7.333 2.474 1.00 0.00 C ATOM 85 CD2 LEU A 6 22.439 -8.294 0.268 1.00 0.00 C ATOM 86 H LEU A 6 25.062 -4.321 -0.710 1.00 0.00 H ATOM 87 HA LEU A 6 24.588 -7.109 -1.175 1.00 0.00 H ATOM 88 HB2 LEU A 6 24.208 -5.429 0.952 1.00 0.00 H ATOM 89 HB3 LEU A 6 22.558 -5.628 0.359 1.00 0.00 H ATOM 90 HG LEU A 6 24.456 -7.927 0.913 1.00 0.00 H ATOM 91 HD11 LEU A 6 22.812 -8.302 2.849 1.00 0.00 H ATOM 92 HD12 LEU A 6 22.284 -6.641 2.578 1.00 0.00 H ATOM 93 HD13 LEU A 6 23.955 -6.971 3.037 1.00 0.00 H ATOM 94 HD21 LEU A 6 22.764 -8.474 -0.746 1.00 0.00 H ATOM 95 HD22 LEU A 6 21.498 -7.764 0.255 1.00 0.00 H ATOM 96 HD23 LEU A 6 22.315 -9.237 0.779 1.00 0.00 H ATOM 97 N LEU A 7 23.157 -5.549 -3.219 1.00 0.00 N ATOM 98 CA LEU A 7 22.118 -5.440 -4.236 1.00 0.00 C ATOM 99 C LEU A 7 21.018 -4.487 -3.778 1.00 0.00 C ATOM 100 O LEU A 7 19.931 -4.962 -3.493 1.00 0.00 O ATOM 101 CB LEU A 7 21.517 -6.818 -4.519 1.00 0.00 C ATOM 102 CG LEU A 7 20.766 -6.784 -5.851 1.00 0.00 C ATOM 103 CD1 LEU A 7 21.662 -7.344 -6.957 1.00 0.00 C ATOM 104 CD2 LEU A 7 19.499 -7.636 -5.742 1.00 0.00 C ATOM 105 H LEU A 7 24.053 -5.201 -3.407 1.00 0.00 H ATOM 106 HA LEU A 7 22.556 -5.058 -5.146 1.00 0.00 H ATOM 107 HB2 LEU A 7 22.308 -7.552 -4.569 1.00 0.00 H ATOM 108 HB3 LEU A 7 20.830 -7.081 -3.728 1.00 0.00 H ATOM 109 HG LEU A 7 20.498 -5.765 -6.087 1.00 0.00 H ATOM 110 HD11 LEU A 7 21.265 -7.060 -7.919 1.00 0.00 H ATOM 111 HD12 LEU A 7 21.693 -8.421 -6.885 1.00 0.00 H ATOM 112 HD13 LEU A 7 22.660 -6.947 -6.847 1.00 0.00 H ATOM 113 HD21 LEU A 7 19.078 -7.782 -6.727 1.00 0.00 H ATOM 114 HD22 LEU A 7 18.780 -7.133 -5.114 1.00 0.00 H ATOM 115 HD23 LEU A 7 19.746 -8.595 -5.311 1.00 0.00 H TER 116 LEU A 7 ENDMDL MODEL 5 ATOM 1 N ILE A 1 23.623 -2.701 7.057 1.00 0.00 N ATOM 2 CA ILE A 1 23.820 -2.437 5.603 1.00 0.00 C ATOM 3 C ILE A 1 22.555 -2.822 4.843 1.00 0.00 C ATOM 4 O ILE A 1 21.904 -3.815 5.165 1.00 0.00 O ATOM 5 CB ILE A 1 25.005 -3.258 5.094 1.00 0.00 C ATOM 6 CG1 ILE A 1 24.715 -4.748 5.292 1.00 0.00 C ATOM 7 CG2 ILE A 1 26.265 -2.877 5.875 1.00 0.00 C ATOM 8 CD1 ILE A 1 25.935 -5.566 4.866 1.00 0.00 C ATOM 9 H1 ILE A 1 23.511 -1.800 7.562 1.00 0.00 H ATOM 10 H2 ILE A 1 24.451 -3.209 7.430 1.00 0.00 H ATOM 11 H3 ILE A 1 22.771 -3.281 7.191 1.00 0.00 H ATOM 12 HA ILE A 1 24.021 -1.386 5.455 1.00 0.00 H ATOM 13 HB ILE A 1 25.159 -3.055 4.043 1.00 0.00 H ATOM 14 HG12 ILE A 1 24.499 -4.937 6.334 1.00 0.00 H ATOM 15 HG13 ILE A 1 23.865 -5.032 4.690 1.00 0.00 H ATOM 16 HG21 ILE A 1 27.131 -3.305 5.392 1.00 0.00 H ATOM 17 HG22 ILE A 1 26.190 -3.255 6.883 1.00 0.00 H ATOM 18 HG23 ILE A 1 26.360 -1.801 5.900 1.00 0.00 H ATOM 19 HD11 ILE A 1 26.273 -5.232 3.897 1.00 0.00 H ATOM 20 HD12 ILE A 1 25.666 -6.611 4.813 1.00 0.00 H ATOM 21 HD13 ILE A 1 26.727 -5.435 5.588 1.00 0.00 H ATOM 22 N ASN A 2 22.214 -2.029 3.832 1.00 0.00 N ATOM 23 CA ASN A 2 21.024 -2.297 3.032 1.00 0.00 C ATOM 24 C ASN A 2 21.253 -1.888 1.581 1.00 0.00 C ATOM 25 O ASN A 2 20.850 -0.803 1.161 1.00 0.00 O ATOM 26 CB ASN A 2 19.829 -1.528 3.599 1.00 0.00 C ATOM 27 CG ASN A 2 18.560 -1.908 2.845 1.00 0.00 C ATOM 28 OD1 ASN A 2 18.059 -1.125 2.037 1.00 0.00 O ATOM 29 ND2 ASN A 2 18.007 -3.070 3.060 1.00 0.00 N ATOM 30 H ASN A 2 22.771 -1.251 3.621 1.00 0.00 H ATOM 31 HA ASN A 2 20.808 -3.354 3.070 1.00 0.00 H ATOM 32 HB2 ASN A 2 19.712 -1.770 4.645 1.00 0.00 H ATOM 33 HB3 ASN A 2 20.003 -0.467 3.495 1.00 0.00 H ATOM 34 HD21 ASN A 2 18.407 -3.691 3.703 1.00 0.00 H ATOM 35 HD22 ASN A 2 17.190 -3.321 2.580 1.00 0.00 H ATOM 36 N CYS A 3 21.900 -2.764 0.819 1.00 0.00 N ATOM 37 CA CYS A 3 22.174 -2.483 -0.585 1.00 0.00 C ATOM 38 C CYS A 3 22.554 -0.993 -0.800 1.00 0.00 C ATOM 39 O CYS A 3 21.580 -0.276 -1.032 1.00 0.00 O ATOM 40 CB CYS A 3 20.927 -2.763 -1.427 1.00 0.00 C ATOM 41 SG CYS A 3 20.839 -4.531 -1.806 1.00 0.00 S ATOM 42 H CYS A 3 22.198 -3.612 1.208 1.00 0.00 H ATOM 43 HA CYS A 3 22.972 -3.128 -0.922 1.00 0.00 H ATOM 44 HB2 CYS A 3 20.047 -2.470 -0.875 1.00 0.00 H ATOM 45 HB3 CYS A 3 20.979 -2.200 -2.346 1.00 0.00 H ATOM 46 N ASP A 4 23.797 -0.527 -0.743 1.00 0.00 N ATOM 47 CA ASP A 4 24.922 -1.413 -0.464 1.00 0.00 C ATOM 48 C ASP A 4 25.149 -2.372 -1.627 1.00 0.00 C ATOM 49 O ASP A 4 24.241 -2.633 -2.417 1.00 0.00 O ATOM 50 CB ASP A 4 24.653 -2.211 0.814 1.00 0.00 C ATOM 51 CG ASP A 4 25.905 -2.239 1.683 1.00 0.00 C ATOM 52 OD1 ASP A 4 26.361 -1.175 2.067 1.00 0.00 O ATOM 53 OD2 ASP A 4 26.392 -3.325 1.953 1.00 0.00 O ATOM 54 H ASP A 4 23.961 0.428 -0.891 1.00 0.00 H ATOM 55 HA ASP A 4 25.810 -0.817 -0.321 1.00 0.00 H ATOM 56 HB2 ASP A 4 23.846 -1.749 1.362 1.00 0.00 H ATOM 57 HB3 ASP A 4 24.377 -3.222 0.553 1.00 0.00 H HETATM 58 N DPN A 5 26.367 -2.896 -1.727 1.00 0.00 N HETATM 59 CA DPN A 5 26.701 -3.829 -2.796 1.00 0.00 C HETATM 60 C DPN A 5 25.848 -5.089 -2.695 1.00 0.00 C HETATM 61 O DPN A 5 25.810 -5.901 -3.619 1.00 0.00 O HETATM 62 CB DPN A 5 26.477 -3.167 -4.157 1.00 0.00 C HETATM 63 CG DPN A 5 26.534 -4.214 -5.243 1.00 0.00 C HETATM 64 CD1 DPN A 5 27.657 -5.039 -5.362 1.00 0.00 C HETATM 65 CD2 DPN A 5 25.461 -4.360 -6.130 1.00 0.00 C HETATM 66 CE1 DPN A 5 27.710 -6.011 -6.368 1.00 0.00 C HETATM 67 CE2 DPN A 5 25.513 -5.332 -7.137 1.00 0.00 C HETATM 68 CZ DPN A 5 26.638 -6.157 -7.257 1.00 0.00 C HETATM 69 H DPN A 5 27.052 -2.650 -1.070 1.00 0.00 H HETATM 70 HA DPN A 5 27.742 -4.103 -2.710 1.00 0.00 H HETATM 71 HB2 DPN A 5 25.509 -2.687 -4.169 1.00 0.00 H HETATM 72 HB3 DPN A 5 27.246 -2.429 -4.330 1.00 0.00 H HETATM 73 HD1 DPN A 5 28.486 -4.927 -4.677 1.00 0.00 H HETATM 74 HD2 DPN A 5 24.593 -3.723 -6.039 1.00 0.00 H HETATM 75 HE1 DPN A 5 28.578 -6.648 -6.460 1.00 0.00 H HETATM 76 HE2 DPN A 5 24.686 -5.444 -7.822 1.00 0.00 H HETATM 77 HZ DPN A 5 26.678 -6.907 -8.033 1.00 0.00 H ATOM 78 N LEU A 6 25.164 -5.245 -1.566 1.00 0.00 N ATOM 79 CA LEU A 6 24.326 -6.418 -1.348 1.00 0.00 C ATOM 80 C LEU A 6 23.090 -6.367 -2.241 1.00 0.00 C ATOM 81 O LEU A 6 22.098 -7.049 -1.984 1.00 0.00 O ATOM 82 CB LEU A 6 23.896 -6.486 0.119 1.00 0.00 C ATOM 83 CG LEU A 6 24.015 -7.927 0.619 1.00 0.00 C ATOM 84 CD1 LEU A 6 23.745 -7.970 2.124 1.00 0.00 C ATOM 85 CD2 LEU A 6 22.991 -8.804 -0.106 1.00 0.00 C ATOM 86 H LEU A 6 25.223 -4.559 -0.868 1.00 0.00 H ATOM 87 HA LEU A 6 24.895 -7.304 -1.586 1.00 0.00 H ATOM 88 HB2 LEU A 6 24.531 -5.845 0.711 1.00 0.00 H ATOM 89 HB3 LEU A 6 22.870 -6.161 0.209 1.00 0.00 H ATOM 90 HG LEU A 6 25.012 -8.295 0.421 1.00 0.00 H ATOM 91 HD11 LEU A 6 24.011 -8.943 2.510 1.00 0.00 H ATOM 92 HD12 LEU A 6 22.697 -7.783 2.307 1.00 0.00 H ATOM 93 HD13 LEU A 6 24.337 -7.213 2.617 1.00 0.00 H ATOM 94 HD21 LEU A 6 22.964 -9.781 0.354 1.00 0.00 H ATOM 95 HD22 LEU A 6 23.272 -8.903 -1.144 1.00 0.00 H ATOM 96 HD23 LEU A 6 22.014 -8.347 -0.040 1.00 0.00 H ATOM 97 N LEU A 7 23.158 -5.554 -3.290 1.00 0.00 N ATOM 98 CA LEU A 7 22.037 -5.420 -4.213 1.00 0.00 C ATOM 99 C LEU A 7 20.952 -4.530 -3.613 1.00 0.00 C ATOM 100 O LEU A 7 19.972 -4.282 -4.296 1.00 0.00 O ATOM 101 CB LEU A 7 21.452 -6.798 -4.530 1.00 0.00 C ATOM 102 CG LEU A 7 20.731 -6.749 -5.877 1.00 0.00 C ATOM 103 CD1 LEU A 7 21.663 -7.267 -6.974 1.00 0.00 C ATOM 104 CD2 LEU A 7 19.480 -7.627 -5.817 1.00 0.00 C ATOM 105 H LEU A 7 23.975 -5.036 -3.446 1.00 0.00 H ATOM 106 HA LEU A 7 22.389 -4.972 -5.129 1.00 0.00 H ATOM 107 HB2 LEU A 7 22.250 -7.525 -4.573 1.00 0.00 H ATOM 108 HB3 LEU A 7 20.751 -7.077 -3.758 1.00 0.00 H ATOM 109 HG LEU A 7 20.449 -5.730 -6.097 1.00 0.00 H ATOM 110 HD11 LEU A 7 22.652 -6.855 -6.832 1.00 0.00 H ATOM 111 HD12 LEU A 7 21.284 -6.966 -7.940 1.00 0.00 H ATOM 112 HD13 LEU A 7 21.712 -8.345 -6.926 1.00 0.00 H ATOM 113 HD21 LEU A 7 19.760 -8.634 -5.544 1.00 0.00 H ATOM 114 HD22 LEU A 7 18.999 -7.637 -6.784 1.00 0.00 H ATOM 115 HD23 LEU A 7 18.797 -7.231 -5.079 1.00 0.00 H TER 116 LEU A 7 ENDMDL MODEL 6 ATOM 1 N ILE A 1 23.680 -2.711 6.960 1.00 0.00 N ATOM 2 CA ILE A 1 23.830 -2.582 5.482 1.00 0.00 C ATOM 3 C ILE A 1 22.487 -2.847 4.811 1.00 0.00 C ATOM 4 O ILE A 1 21.728 -3.714 5.242 1.00 0.00 O ATOM 5 CB ILE A 1 24.869 -3.591 4.989 1.00 0.00 C ATOM 6 CG1 ILE A 1 24.408 -5.007 5.340 1.00 0.00 C ATOM 7 CG2 ILE A 1 26.213 -3.312 5.663 1.00 0.00 C ATOM 8 CD1 ILE A 1 25.478 -6.013 4.910 1.00 0.00 C ATOM 9 H1 ILE A 1 24.437 -3.317 7.334 1.00 0.00 H ATOM 10 H2 ILE A 1 22.754 -3.137 7.177 1.00 0.00 H ATOM 11 H3 ILE A 1 23.741 -1.772 7.399 1.00 0.00 H ATOM 12 HA ILE A 1 24.160 -1.582 5.243 1.00 0.00 H ATOM 13 HB ILE A 1 24.978 -3.500 3.917 1.00 0.00 H ATOM 14 HG12 ILE A 1 24.250 -5.081 6.406 1.00 0.00 H ATOM 15 HG13 ILE A 1 23.485 -5.224 4.822 1.00 0.00 H ATOM 16 HG21 ILE A 1 26.156 -3.583 6.706 1.00 0.00 H ATOM 17 HG22 ILE A 1 26.449 -2.262 5.576 1.00 0.00 H ATOM 18 HG23 ILE A 1 26.985 -3.895 5.182 1.00 0.00 H ATOM 19 HD11 ILE A 1 25.821 -5.772 3.915 1.00 0.00 H ATOM 20 HD12 ILE A 1 25.060 -7.009 4.915 1.00 0.00 H ATOM 21 HD13 ILE A 1 26.310 -5.970 5.598 1.00 0.00 H ATOM 22 N ASN A 2 22.202 -2.093 3.755 1.00 0.00 N ATOM 23 CA ASN A 2 20.946 -2.254 3.031 1.00 0.00 C ATOM 24 C ASN A 2 21.127 -1.905 1.557 1.00 0.00 C ATOM 25 O ASN A 2 20.537 -0.947 1.060 1.00 0.00 O ATOM 26 CB ASN A 2 19.871 -1.352 3.642 1.00 0.00 C ATOM 27 CG ASN A 2 20.230 0.112 3.417 1.00 0.00 C ATOM 28 OD1 ASN A 2 21.354 0.424 3.024 1.00 0.00 O ATOM 29 ND2 ASN A 2 19.336 1.035 3.646 1.00 0.00 N ATOM 30 H ASN A 2 22.846 -1.418 3.456 1.00 0.00 H ATOM 31 HA ASN A 2 20.624 -3.282 3.111 1.00 0.00 H ATOM 32 HB2 ASN A 2 18.919 -1.565 3.178 1.00 0.00 H ATOM 33 HB3 ASN A 2 19.803 -1.545 4.703 1.00 0.00 H ATOM 34 HD21 ASN A 2 18.442 0.785 3.958 1.00 0.00 H ATOM 35 HD22 ASN A 2 19.559 1.979 3.503 1.00 0.00 H ATOM 36 N CYS A 3 21.949 -2.688 0.866 1.00 0.00 N ATOM 37 CA CYS A 3 22.201 -2.451 -0.551 1.00 0.00 C ATOM 38 C CYS A 3 22.579 -0.968 -0.794 1.00 0.00 C ATOM 39 O CYS A 3 21.602 -0.255 -1.023 1.00 0.00 O ATOM 40 CB CYS A 3 20.940 -2.750 -1.364 1.00 0.00 C ATOM 41 SG CYS A 3 20.862 -4.522 -1.724 1.00 0.00 S ATOM 42 H CYS A 3 22.392 -3.438 1.315 1.00 0.00 H ATOM 43 HA CYS A 3 22.992 -3.108 -0.880 1.00 0.00 H ATOM 44 HB2 CYS A 3 20.069 -2.459 -0.796 1.00 0.00 H ATOM 45 HB3 CYS A 3 20.968 -2.195 -2.290 1.00 0.00 H ATOM 46 N ASP A 4 23.823 -0.503 -0.762 1.00 0.00 N ATOM 47 CA ASP A 4 24.951 -1.385 -0.484 1.00 0.00 C ATOM 48 C ASP A 4 25.163 -2.361 -1.637 1.00 0.00 C ATOM 49 O ASP A 4 24.244 -2.636 -2.408 1.00 0.00 O ATOM 50 CB ASP A 4 24.698 -2.165 0.808 1.00 0.00 C ATOM 51 CG ASP A 4 25.963 -2.184 1.660 1.00 0.00 C ATOM 52 OD1 ASP A 4 26.494 -1.118 1.920 1.00 0.00 O ATOM 53 OD2 ASP A 4 26.381 -3.266 2.039 1.00 0.00 O ATOM 54 H ASP A 4 23.986 0.450 -0.927 1.00 0.00 H ATOM 55 HA ASP A 4 25.841 -0.788 -0.362 1.00 0.00 H ATOM 56 HB2 ASP A 4 23.900 -1.692 1.361 1.00 0.00 H ATOM 57 HB3 ASP A 4 24.415 -3.178 0.565 1.00 0.00 H HETATM 58 N DPN A 5 26.381 -2.882 -1.748 1.00 0.00 N HETATM 59 CA DPN A 5 26.703 -3.828 -2.811 1.00 0.00 C HETATM 60 C DPN A 5 25.849 -5.086 -2.686 1.00 0.00 C HETATM 61 O DPN A 5 25.792 -5.903 -3.605 1.00 0.00 O HETATM 62 CB DPN A 5 26.463 -3.180 -4.176 1.00 0.00 C HETATM 63 CG DPN A 5 26.504 -4.240 -5.250 1.00 0.00 C HETATM 64 CD1 DPN A 5 27.625 -5.070 -5.372 1.00 0.00 C HETATM 65 CD2 DPN A 5 25.421 -4.392 -6.125 1.00 0.00 C HETATM 66 CE1 DPN A 5 27.663 -6.053 -6.369 1.00 0.00 C HETATM 67 CE2 DPN A 5 25.460 -5.375 -7.121 1.00 0.00 C HETATM 68 CZ DPN A 5 26.580 -6.205 -7.244 1.00 0.00 C HETATM 69 H DPN A 5 27.074 -2.627 -1.104 1.00 0.00 H HETATM 70 HA DPN A 5 27.744 -4.102 -2.733 1.00 0.00 H HETATM 71 HB2 DPN A 5 25.496 -2.699 -4.181 1.00 0.00 H HETATM 72 HB3 DPN A 5 27.232 -2.447 -4.365 1.00 0.00 H HETATM 73 HD1 DPN A 5 28.460 -4.953 -4.697 1.00 0.00 H HETATM 74 HD2 DPN A 5 24.558 -3.751 -6.032 1.00 0.00 H HETATM 75 HE1 DPN A 5 28.527 -6.695 -6.462 1.00 0.00 H HETATM 76 HE2 DPN A 5 24.625 -5.492 -7.797 1.00 0.00 H HETATM 77 HZ DPN A 5 26.609 -6.964 -8.012 1.00 0.00 H ATOM 78 N LEU A 6 25.186 -5.235 -1.543 1.00 0.00 N ATOM 79 CA LEU A 6 24.351 -6.405 -1.302 1.00 0.00 C ATOM 80 C LEU A 6 23.102 -6.360 -2.176 1.00 0.00 C ATOM 81 O LEU A 6 22.112 -7.037 -1.897 1.00 0.00 O ATOM 82 CB LEU A 6 23.943 -6.462 0.171 1.00 0.00 C ATOM 83 CG LEU A 6 24.066 -7.899 0.680 1.00 0.00 C ATOM 84 CD1 LEU A 6 23.817 -7.930 2.189 1.00 0.00 C ATOM 85 CD2 LEU A 6 23.033 -8.780 -0.025 1.00 0.00 C ATOM 86 H LEU A 6 25.260 -4.545 -0.850 1.00 0.00 H ATOM 87 HA LEU A 6 24.915 -7.294 -1.542 1.00 0.00 H ATOM 88 HB2 LEU A 6 24.590 -5.818 0.748 1.00 0.00 H ATOM 89 HB3 LEU A 6 22.921 -6.133 0.275 1.00 0.00 H ATOM 90 HG LEU A 6 25.060 -8.270 0.472 1.00 0.00 H ATOM 91 HD11 LEU A 6 24.110 -8.891 2.582 1.00 0.00 H ATOM 92 HD12 LEU A 6 22.767 -7.767 2.383 1.00 0.00 H ATOM 93 HD13 LEU A 6 24.396 -7.153 2.666 1.00 0.00 H ATOM 94 HD21 LEU A 6 22.057 -8.323 0.055 1.00 0.00 H ATOM 95 HD22 LEU A 6 23.013 -9.755 0.439 1.00 0.00 H ATOM 96 HD23 LEU A 6 23.298 -8.881 -1.067 1.00 0.00 H ATOM 97 N LEU A 7 23.155 -5.559 -3.235 1.00 0.00 N ATOM 98 CA LEU A 7 22.019 -5.431 -4.142 1.00 0.00 C ATOM 99 C LEU A 7 20.944 -4.539 -3.532 1.00 0.00 C ATOM 100 O LEU A 7 19.952 -4.298 -4.201 1.00 0.00 O ATOM 101 CB LEU A 7 21.432 -6.812 -4.441 1.00 0.00 C ATOM 102 CG LEU A 7 20.690 -6.774 -5.777 1.00 0.00 C ATOM 103 CD1 LEU A 7 21.605 -7.301 -6.885 1.00 0.00 C ATOM 104 CD2 LEU A 7 19.439 -7.650 -5.690 1.00 0.00 C ATOM 105 H LEU A 7 23.970 -5.043 -3.409 1.00 0.00 H ATOM 106 HA LEU A 7 22.359 -4.989 -5.067 1.00 0.00 H ATOM 107 HB2 LEU A 7 22.230 -7.539 -4.491 1.00 0.00 H ATOM 108 HB3 LEU A 7 20.743 -7.086 -3.657 1.00 0.00 H ATOM 109 HG LEU A 7 20.406 -5.756 -6.001 1.00 0.00 H ATOM 110 HD11 LEU A 7 21.212 -7.009 -7.847 1.00 0.00 H ATOM 111 HD12 LEU A 7 21.654 -8.379 -6.828 1.00 0.00 H ATOM 112 HD13 LEU A 7 22.595 -6.889 -6.759 1.00 0.00 H ATOM 113 HD21 LEU A 7 19.051 -7.822 -6.683 1.00 0.00 H ATOM 114 HD22 LEU A 7 18.691 -7.150 -5.092 1.00 0.00 H ATOM 115 HD23 LEU A 7 19.693 -8.595 -5.233 1.00 0.00 H TER 116 LEU A 7 ENDMDL MODEL 7 ATOM 1 N ILE A 1 23.298 -3.063 6.962 1.00 0.00 N ATOM 2 CA ILE A 1 23.489 -2.845 5.501 1.00 0.00 C ATOM 3 C ILE A 1 22.199 -3.190 4.764 1.00 0.00 C ATOM 4 O ILE A 1 21.490 -4.123 5.139 1.00 0.00 O ATOM 5 CB ILE A 1 24.630 -3.733 5.000 1.00 0.00 C ATOM 6 CG1 ILE A 1 24.282 -5.200 5.258 1.00 0.00 C ATOM 7 CG2 ILE A 1 25.919 -3.378 5.744 1.00 0.00 C ATOM 8 CD1 ILE A 1 25.447 -6.087 4.817 1.00 0.00 C ATOM 9 H1 ILE A 1 22.882 -2.212 7.390 1.00 0.00 H ATOM 10 H2 ILE A 1 24.218 -3.260 7.406 1.00 0.00 H ATOM 11 H3 ILE A 1 22.660 -3.870 7.112 1.00 0.00 H ATOM 12 HA ILE A 1 23.737 -1.808 5.323 1.00 0.00 H ATOM 13 HB ILE A 1 24.770 -3.575 3.941 1.00 0.00 H ATOM 14 HG12 ILE A 1 24.097 -5.347 6.313 1.00 0.00 H ATOM 15 HG13 ILE A 1 23.399 -5.466 4.697 1.00 0.00 H ATOM 16 HG21 ILE A 1 26.760 -3.841 5.249 1.00 0.00 H ATOM 17 HG22 ILE A 1 25.858 -3.736 6.761 1.00 0.00 H ATOM 18 HG23 ILE A 1 26.049 -2.306 5.747 1.00 0.00 H ATOM 19 HD11 ILE A 1 26.280 -5.950 5.491 1.00 0.00 H ATOM 20 HD12 ILE A 1 25.747 -5.816 3.815 1.00 0.00 H ATOM 21 HD13 ILE A 1 25.140 -7.122 4.833 1.00 0.00 H ATOM 22 N ASN A 2 21.902 -2.430 3.715 1.00 0.00 N ATOM 23 CA ASN A 2 20.693 -2.664 2.934 1.00 0.00 C ATOM 24 C ASN A 2 20.902 -2.237 1.484 1.00 0.00 C ATOM 25 O ASN A 2 20.351 -1.231 1.037 1.00 0.00 O ATOM 26 CB ASN A 2 19.523 -1.882 3.534 1.00 0.00 C ATOM 27 CG ASN A 2 19.789 -0.384 3.430 1.00 0.00 C ATOM 28 OD1 ASN A 2 20.916 0.030 3.158 1.00 0.00 O ATOM 29 ND2 ASN A 2 18.813 0.458 3.633 1.00 0.00 N ATOM 30 H ASN A 2 22.505 -1.699 3.463 1.00 0.00 H ATOM 31 HA ASN A 2 20.457 -3.717 2.958 1.00 0.00 H ATOM 32 HB2 ASN A 2 18.618 -2.124 2.997 1.00 0.00 H ATOM 33 HB3 ASN A 2 19.407 -2.153 4.572 1.00 0.00 H ATOM 34 HD21 ASN A 2 17.917 0.126 3.850 1.00 0.00 H ATOM 35 HD22 ASN A 2 18.975 1.422 3.568 1.00 0.00 H ATOM 36 N CYS A 3 21.702 -3.009 0.754 1.00 0.00 N ATOM 37 CA CYS A 3 21.977 -2.700 -0.644 1.00 0.00 C ATOM 38 C CYS A 3 22.226 -1.181 -0.832 1.00 0.00 C ATOM 39 O CYS A 3 21.199 -0.551 -1.080 1.00 0.00 O ATOM 40 CB CYS A 3 20.775 -3.083 -1.510 1.00 0.00 C ATOM 41 SG CYS A 3 20.863 -4.844 -1.919 1.00 0.00 S ATOM 42 H CYS A 3 22.114 -3.798 1.163 1.00 0.00 H ATOM 43 HA CYS A 3 22.835 -3.271 -0.966 1.00 0.00 H ATOM 44 HB2 CYS A 3 19.863 -2.885 -0.967 1.00 0.00 H ATOM 45 HB3 CYS A 3 20.787 -2.502 -2.419 1.00 0.00 H ATOM 46 N ASP A 4 23.422 -0.609 -0.739 1.00 0.00 N ATOM 47 CA ASP A 4 24.614 -1.396 -0.441 1.00 0.00 C ATOM 48 C ASP A 4 24.954 -2.314 -1.611 1.00 0.00 C ATOM 49 O ASP A 4 24.092 -2.643 -2.426 1.00 0.00 O ATOM 50 CB ASP A 4 24.386 -2.233 0.818 1.00 0.00 C ATOM 51 CG ASP A 4 25.613 -2.163 1.720 1.00 0.00 C ATOM 52 OD1 ASP A 4 25.934 -1.075 2.168 1.00 0.00 O ATOM 53 OD2 ASP A 4 26.215 -3.199 1.950 1.00 0.00 O ATOM 54 H ASP A 4 23.505 0.358 -0.872 1.00 0.00 H ATOM 55 HA ASP A 4 25.443 -0.725 -0.269 1.00 0.00 H ATOM 56 HB2 ASP A 4 23.527 -1.851 1.352 1.00 0.00 H ATOM 57 HB3 ASP A 4 24.206 -3.261 0.538 1.00 0.00 H HETATM 58 N DPN A 5 26.216 -2.726 -1.685 1.00 0.00 N HETATM 59 CA DPN A 5 26.659 -3.608 -2.759 1.00 0.00 C HETATM 60 C DPN A 5 25.918 -4.940 -2.699 1.00 0.00 C HETATM 61 O DPN A 5 25.974 -5.734 -3.637 1.00 0.00 O HETATM 62 CB DPN A 5 26.412 -2.945 -4.115 1.00 0.00 C HETATM 63 CG DPN A 5 26.583 -3.965 -5.214 1.00 0.00 C HETATM 64 CD1 DPN A 5 27.775 -4.691 -5.315 1.00 0.00 C HETATM 65 CD2 DPN A 5 25.549 -4.186 -6.132 1.00 0.00 C HETATM 66 CE1 DPN A 5 27.934 -5.638 -6.335 1.00 0.00 C HETATM 67 CE2 DPN A 5 25.708 -5.134 -7.151 1.00 0.00 C HETATM 68 CZ DPN A 5 26.900 -5.860 -7.253 1.00 0.00 C HETATM 69 H DPN A 5 26.859 -2.432 -1.007 1.00 0.00 H HETATM 70 HA DPN A 5 27.717 -3.790 -2.648 1.00 0.00 H HETATM 71 HB2 DPN A 5 25.407 -2.549 -4.144 1.00 0.00 H HETATM 72 HB3 DPN A 5 27.120 -2.141 -4.258 1.00 0.00 H HETATM 73 HD1 DPN A 5 28.573 -4.522 -4.608 1.00 0.00 H HETATM 74 HD2 DPN A 5 24.629 -3.626 -6.053 1.00 0.00 H HETATM 75 HE1 DPN A 5 28.855 -6.198 -6.413 1.00 0.00 H HETATM 76 HE2 DPN A 5 24.909 -5.304 -7.858 1.00 0.00 H HETATM 77 HZ DPN A 5 27.023 -6.590 -8.038 1.00 0.00 H ATOM 78 N LEU A 6 25.225 -5.176 -1.590 1.00 0.00 N ATOM 79 CA LEU A 6 24.489 -6.422 -1.412 1.00 0.00 C ATOM 80 C LEU A 6 23.272 -6.462 -2.331 1.00 0.00 C ATOM 81 O LEU A 6 22.337 -7.230 -2.105 1.00 0.00 O ATOM 82 CB LEU A 6 24.037 -6.559 0.043 1.00 0.00 C ATOM 83 CG LEU A 6 24.271 -7.994 0.518 1.00 0.00 C ATOM 84 CD1 LEU A 6 23.969 -8.091 2.015 1.00 0.00 C ATOM 85 CD2 LEU A 6 23.346 -8.941 -0.249 1.00 0.00 C ATOM 86 H LEU A 6 25.208 -4.501 -0.879 1.00 0.00 H ATOM 87 HA LEU A 6 25.138 -7.251 -1.654 1.00 0.00 H ATOM 88 HB2 LEU A 6 24.603 -5.877 0.661 1.00 0.00 H ATOM 89 HB3 LEU A 6 22.986 -6.324 0.117 1.00 0.00 H ATOM 90 HG LEU A 6 25.301 -8.268 0.340 1.00 0.00 H ATOM 91 HD11 LEU A 6 24.674 -7.484 2.564 1.00 0.00 H ATOM 92 HD12 LEU A 6 24.057 -9.120 2.333 1.00 0.00 H ATOM 93 HD13 LEU A 6 22.966 -7.739 2.204 1.00 0.00 H ATOM 94 HD21 LEU A 6 23.399 -9.927 0.187 1.00 0.00 H ATOM 95 HD22 LEU A 6 23.656 -8.987 -1.282 1.00 0.00 H ATOM 96 HD23 LEU A 6 22.331 -8.576 -0.194 1.00 0.00 H ATOM 97 N LEU A 7 23.293 -5.630 -3.367 1.00 0.00 N ATOM 98 CA LEU A 7 22.184 -5.577 -4.314 1.00 0.00 C ATOM 99 C LEU A 7 21.012 -4.800 -3.722 1.00 0.00 C ATOM 100 O LEU A 7 20.027 -4.629 -4.422 1.00 0.00 O ATOM 101 CB LEU A 7 21.733 -6.995 -4.669 1.00 0.00 C ATOM 102 CG LEU A 7 21.037 -6.983 -6.031 1.00 0.00 C ATOM 103 CD1 LEU A 7 22.033 -7.393 -7.117 1.00 0.00 C ATOM 104 CD2 LEU A 7 19.867 -7.970 -6.013 1.00 0.00 C ATOM 105 H LEU A 7 24.065 -5.042 -3.497 1.00 0.00 H ATOM 106 HA LEU A 7 22.515 -5.081 -5.214 1.00 0.00 H ATOM 107 HB2 LEU A 7 22.593 -7.646 -4.708 1.00 0.00 H ATOM 108 HB3 LEU A 7 21.043 -7.352 -3.918 1.00 0.00 H ATOM 109 HG LEU A 7 20.669 -5.989 -6.238 1.00 0.00 H ATOM 110 HD11 LEU A 7 22.974 -6.891 -6.951 1.00 0.00 H ATOM 111 HD12 LEU A 7 21.644 -7.118 -8.086 1.00 0.00 H ATOM 112 HD13 LEU A 7 22.185 -8.462 -7.080 1.00 0.00 H ATOM 113 HD21 LEU A 7 19.418 -8.012 -6.994 1.00 0.00 H ATOM 114 HD22 LEU A 7 19.132 -7.644 -5.293 1.00 0.00 H ATOM 115 HD23 LEU A 7 20.228 -8.950 -5.740 1.00 0.00 H TER 116 LEU A 7 ENDMDL MODEL 8 ATOM 1 N ILE A 1 23.593 -2.577 7.117 1.00 0.00 N ATOM 2 CA ILE A 1 23.797 -2.328 5.662 1.00 0.00 C ATOM 3 C ILE A 1 22.563 -2.783 4.892 1.00 0.00 C ATOM 4 O ILE A 1 21.950 -3.797 5.226 1.00 0.00 O ATOM 5 CB ILE A 1 25.026 -3.102 5.184 1.00 0.00 C ATOM 6 CG1 ILE A 1 24.819 -4.595 5.442 1.00 0.00 C ATOM 7 CG2 ILE A 1 26.262 -2.621 5.946 1.00 0.00 C ATOM 8 CD1 ILE A 1 26.069 -5.366 5.015 1.00 0.00 C ATOM 9 H1 ILE A 1 23.623 -1.674 7.632 1.00 0.00 H ATOM 10 H2 ILE A 1 24.343 -3.205 7.470 1.00 0.00 H ATOM 11 H3 ILE A 1 22.666 -3.025 7.265 1.00 0.00 H ATOM 12 HA ILE A 1 23.952 -1.271 5.498 1.00 0.00 H ATOM 13 HB ILE A 1 25.168 -2.933 4.126 1.00 0.00 H ATOM 14 HG12 ILE A 1 24.637 -4.758 6.494 1.00 0.00 H ATOM 15 HG13 ILE A 1 23.971 -4.946 4.872 1.00 0.00 H ATOM 16 HG21 ILE A 1 27.150 -3.029 5.487 1.00 0.00 H ATOM 17 HG22 ILE A 1 26.203 -2.952 6.973 1.00 0.00 H ATOM 18 HG23 ILE A 1 26.306 -1.542 5.918 1.00 0.00 H ATOM 19 HD11 ILE A 1 26.857 -5.202 5.736 1.00 0.00 H ATOM 20 HD12 ILE A 1 26.392 -5.020 4.045 1.00 0.00 H ATOM 21 HD13 ILE A 1 25.843 -6.421 4.964 1.00 0.00 H ATOM 22 N ASN A 2 22.203 -2.028 3.860 1.00 0.00 N ATOM 23 CA ASN A 2 21.039 -2.363 3.048 1.00 0.00 C ATOM 24 C ASN A 2 21.256 -1.940 1.599 1.00 0.00 C ATOM 25 O ASN A 2 20.842 -0.855 1.190 1.00 0.00 O ATOM 26 CB ASN A 2 19.796 -1.667 3.604 1.00 0.00 C ATOM 27 CG ASN A 2 19.560 -2.094 5.049 1.00 0.00 C ATOM 28 OD1 ASN A 2 19.362 -1.250 5.922 1.00 0.00 O ATOM 29 ND2 ASN A 2 19.570 -3.363 5.354 1.00 0.00 N ATOM 30 H ASN A 2 22.729 -1.231 3.640 1.00 0.00 H ATOM 31 HA ASN A 2 20.885 -3.431 3.082 1.00 0.00 H ATOM 32 HB2 ASN A 2 19.937 -0.596 3.565 1.00 0.00 H ATOM 33 HB3 ASN A 2 18.937 -1.936 3.008 1.00 0.00 H ATOM 34 HD21 ASN A 2 19.728 -4.033 4.657 1.00 0.00 H ATOM 35 HD22 ASN A 2 19.420 -3.645 6.281 1.00 0.00 H ATOM 36 N CYS A 3 21.909 -2.804 0.827 1.00 0.00 N ATOM 37 CA CYS A 3 22.174 -2.509 -0.576 1.00 0.00 C ATOM 38 C CYS A 3 22.562 -1.017 -0.768 1.00 0.00 C ATOM 39 O CYS A 3 21.592 -0.293 -0.989 1.00 0.00 O ATOM 40 CB CYS A 3 20.921 -2.771 -1.412 1.00 0.00 C ATOM 41 SG CYS A 3 20.831 -4.530 -1.828 1.00 0.00 S ATOM 42 H CYS A 3 22.216 -3.652 1.208 1.00 0.00 H ATOM 43 HA CYS A 3 22.967 -3.153 -0.926 1.00 0.00 H ATOM 44 HB2 CYS A 3 20.045 -2.490 -0.846 1.00 0.00 H ATOM 45 HB3 CYS A 3 20.964 -2.188 -2.320 1.00 0.00 H ATOM 46 N ASP A 4 23.809 -0.559 -0.705 1.00 0.00 N ATOM 47 CA ASP A 4 24.928 -1.454 -0.440 1.00 0.00 C ATOM 48 C ASP A 4 25.154 -2.394 -1.619 1.00 0.00 C ATOM 49 O ASP A 4 24.244 -2.642 -2.410 1.00 0.00 O ATOM 50 CB ASP A 4 24.656 -2.272 0.823 1.00 0.00 C ATOM 51 CG ASP A 4 25.910 -2.330 1.689 1.00 0.00 C ATOM 52 OD1 ASP A 4 26.069 -1.457 2.525 1.00 0.00 O ATOM 53 OD2 ASP A 4 26.693 -3.248 1.501 1.00 0.00 O ATOM 54 H ASP A 4 23.977 0.397 -0.839 1.00 0.00 H ATOM 55 HA ASP A 4 25.820 -0.864 -0.286 1.00 0.00 H ATOM 56 HB2 ASP A 4 23.854 -1.811 1.383 1.00 0.00 H ATOM 57 HB3 ASP A 4 24.367 -3.275 0.545 1.00 0.00 H HETATM 58 N DPN A 5 26.372 -2.915 -1.730 1.00 0.00 N HETATM 59 CA DPN A 5 26.705 -3.827 -2.818 1.00 0.00 C HETATM 60 C DPN A 5 25.852 -5.090 -2.739 1.00 0.00 C HETATM 61 O DPN A 5 25.819 -5.887 -3.676 1.00 0.00 O HETATM 62 CB DPN A 5 26.477 -3.140 -4.165 1.00 0.00 C HETATM 63 CG DPN A 5 26.528 -4.167 -5.270 1.00 0.00 C HETATM 64 CD1 DPN A 5 27.651 -4.993 -5.408 1.00 0.00 C HETATM 65 CD2 DPN A 5 25.453 -4.294 -6.158 1.00 0.00 C HETATM 66 CE1 DPN A 5 27.698 -5.945 -6.433 1.00 0.00 C HETATM 67 CE2 DPN A 5 25.501 -5.246 -7.183 1.00 0.00 C HETATM 68 CZ DPN A 5 26.623 -6.072 -7.321 1.00 0.00 C HETATM 69 H DPN A 5 27.057 -2.681 -1.070 1.00 0.00 H HETATM 70 HA DPN A 5 27.746 -4.102 -2.739 1.00 0.00 H HETATM 71 HB2 DPN A 5 25.511 -2.658 -4.164 1.00 0.00 H HETATM 72 HB3 DPN A 5 27.248 -2.400 -4.327 1.00 0.00 H HETATM 73 HD1 DPN A 5 28.480 -4.895 -4.723 1.00 0.00 H HETATM 74 HD2 DPN A 5 24.587 -3.657 -6.052 1.00 0.00 H HETATM 75 HE1 DPN A 5 28.564 -6.582 -6.538 1.00 0.00 H HETATM 76 HE2 DPN A 5 24.670 -5.345 -7.868 1.00 0.00 H HETATM 77 HZ DPN A 5 26.659 -6.806 -8.111 1.00 0.00 H ATOM 78 N LEU A 6 25.166 -5.264 -1.615 1.00 0.00 N ATOM 79 CA LEU A 6 24.329 -6.442 -1.417 1.00 0.00 C ATOM 80 C LEU A 6 23.089 -6.373 -2.304 1.00 0.00 C ATOM 81 O LEU A 6 22.100 -7.065 -2.060 1.00 0.00 O ATOM 82 CB LEU A 6 23.905 -6.542 0.049 1.00 0.00 C ATOM 83 CG LEU A 6 24.715 -7.640 0.741 1.00 0.00 C ATOM 84 CD1 LEU A 6 24.678 -7.424 2.254 1.00 0.00 C ATOM 85 CD2 LEU A 6 24.109 -9.006 0.406 1.00 0.00 C ATOM 86 H LEU A 6 25.222 -4.590 -0.906 1.00 0.00 H ATOM 87 HA LEU A 6 24.896 -7.323 -1.677 1.00 0.00 H ATOM 88 HB2 LEU A 6 24.085 -5.597 0.540 1.00 0.00 H ATOM 89 HB3 LEU A 6 22.854 -6.784 0.104 1.00 0.00 H ATOM 90 HG LEU A 6 25.738 -7.603 0.396 1.00 0.00 H ATOM 91 HD11 LEU A 6 25.172 -8.248 2.747 1.00 0.00 H ATOM 92 HD12 LEU A 6 23.652 -7.372 2.586 1.00 0.00 H ATOM 93 HD13 LEU A 6 25.184 -6.503 2.500 1.00 0.00 H ATOM 94 HD21 LEU A 6 24.837 -9.779 0.602 1.00 0.00 H ATOM 95 HD22 LEU A 6 23.830 -9.030 -0.636 1.00 0.00 H ATOM 96 HD23 LEU A 6 23.235 -9.171 1.017 1.00 0.00 H ATOM 97 N LEU A 7 23.150 -5.534 -3.332 1.00 0.00 N ATOM 98 CA LEU A 7 22.025 -5.381 -4.249 1.00 0.00 C ATOM 99 C LEU A 7 20.949 -4.493 -3.633 1.00 0.00 C ATOM 100 O LEU A 7 19.974 -4.219 -4.315 1.00 0.00 O ATOM 101 CB LEU A 7 21.432 -6.752 -4.579 1.00 0.00 C ATOM 102 CG LEU A 7 20.717 -6.687 -5.929 1.00 0.00 C ATOM 103 CD1 LEU A 7 21.653 -7.197 -7.027 1.00 0.00 C ATOM 104 CD2 LEU A 7 19.462 -7.561 -5.884 1.00 0.00 C ATOM 105 H LEU A 7 23.964 -5.007 -3.477 1.00 0.00 H ATOM 106 HA LEU A 7 22.377 -4.925 -5.161 1.00 0.00 H ATOM 107 HB2 LEU A 7 22.224 -7.485 -4.624 1.00 0.00 H ATOM 108 HB3 LEU A 7 20.724 -7.032 -3.813 1.00 0.00 H ATOM 109 HG LEU A 7 20.440 -5.664 -6.141 1.00 0.00 H ATOM 110 HD11 LEU A 7 22.642 -6.792 -6.875 1.00 0.00 H ATOM 111 HD12 LEU A 7 21.280 -6.887 -7.992 1.00 0.00 H ATOM 112 HD13 LEU A 7 21.697 -8.276 -6.990 1.00 0.00 H ATOM 113 HD21 LEU A 7 19.079 -7.693 -6.886 1.00 0.00 H ATOM 114 HD22 LEU A 7 18.713 -7.083 -5.271 1.00 0.00 H ATOM 115 HD23 LEU A 7 19.710 -8.525 -5.464 1.00 0.00 H TER 116 LEU A 7 ENDMDL MODEL 9 ATOM 1 N ILE A 1 23.646 -2.040 6.837 1.00 0.00 N ATOM 2 CA ILE A 1 23.893 -2.653 5.502 1.00 0.00 C ATOM 3 C ILE A 1 22.558 -2.942 4.824 1.00 0.00 C ATOM 4 O ILE A 1 21.785 -3.782 5.284 1.00 0.00 O ATOM 5 CB ILE A 1 24.681 -3.952 5.677 1.00 0.00 C ATOM 6 CG1 ILE A 1 24.451 -4.855 4.463 1.00 0.00 C ATOM 7 CG2 ILE A 1 24.207 -4.670 6.941 1.00 0.00 C ATOM 8 CD1 ILE A 1 25.527 -5.943 4.424 1.00 0.00 C ATOM 9 H1 ILE A 1 23.633 -1.005 6.747 1.00 0.00 H ATOM 10 H2 ILE A 1 24.404 -2.323 7.493 1.00 0.00 H ATOM 11 H3 ILE A 1 22.730 -2.365 7.204 1.00 0.00 H ATOM 12 HA ILE A 1 24.463 -1.967 4.892 1.00 0.00 H ATOM 13 HB ILE A 1 25.734 -3.725 5.765 1.00 0.00 H ATOM 14 HG12 ILE A 1 23.476 -5.314 4.535 1.00 0.00 H ATOM 15 HG13 ILE A 1 24.507 -4.265 3.560 1.00 0.00 H ATOM 16 HG21 ILE A 1 24.613 -5.671 6.960 1.00 0.00 H ATOM 17 HG22 ILE A 1 23.128 -4.718 6.945 1.00 0.00 H ATOM 18 HG23 ILE A 1 24.547 -4.128 7.812 1.00 0.00 H ATOM 19 HD11 ILE A 1 25.432 -6.573 5.296 1.00 0.00 H ATOM 20 HD12 ILE A 1 26.504 -5.484 4.417 1.00 0.00 H ATOM 21 HD13 ILE A 1 25.403 -6.540 3.532 1.00 0.00 H ATOM 22 N ASN A 2 22.294 -2.241 3.726 1.00 0.00 N ATOM 23 CA ASN A 2 21.049 -2.429 2.992 1.00 0.00 C ATOM 24 C ASN A 2 21.215 -2.006 1.536 1.00 0.00 C ATOM 25 O ASN A 2 20.691 -0.975 1.115 1.00 0.00 O ATOM 26 CB ASN A 2 19.931 -1.610 3.638 1.00 0.00 C ATOM 27 CG ASN A 2 20.247 -0.122 3.531 1.00 0.00 C ATOM 28 OD1 ASN A 2 21.365 0.253 3.178 1.00 0.00 O ATOM 29 ND2 ASN A 2 19.322 0.755 3.816 1.00 0.00 N ATOM 30 H ASN A 2 22.948 -1.585 3.404 1.00 0.00 H ATOM 31 HA ASN A 2 20.777 -3.474 3.024 1.00 0.00 H ATOM 32 HB2 ASN A 2 18.997 -1.815 3.135 1.00 0.00 H ATOM 33 HB3 ASN A 2 19.843 -1.881 4.680 1.00 0.00 H ATOM 34 HD21 ASN A 2 18.433 0.454 4.097 1.00 0.00 H ATOM 35 HD22 ASN A 2 19.518 1.713 3.749 1.00 0.00 H ATOM 36 N CYS A 3 21.948 -2.809 0.771 1.00 0.00 N ATOM 37 CA CYS A 3 22.178 -2.506 -0.637 1.00 0.00 C ATOM 38 C CYS A 3 22.526 -1.010 -0.832 1.00 0.00 C ATOM 39 O CYS A 3 21.543 -0.315 -1.093 1.00 0.00 O ATOM 40 CB CYS A 3 20.912 -2.794 -1.446 1.00 0.00 C ATOM 41 SG CYS A 3 20.732 -4.581 -1.669 1.00 0.00 S ATOM 42 H CYS A 3 22.341 -3.618 1.160 1.00 0.00 H ATOM 43 HA CYS A 3 22.977 -3.133 -1.005 1.00 0.00 H ATOM 44 HB2 CYS A 3 20.052 -2.409 -0.918 1.00 0.00 H ATOM 45 HB3 CYS A 3 20.986 -2.316 -2.412 1.00 0.00 H ATOM 46 N ASP A 4 23.755 -0.516 -0.731 1.00 0.00 N ATOM 47 CA ASP A 4 24.889 -1.378 -0.418 1.00 0.00 C ATOM 48 C ASP A 4 25.170 -2.335 -1.573 1.00 0.00 C ATOM 49 O ASP A 4 24.342 -2.503 -2.467 1.00 0.00 O ATOM 50 CB ASP A 4 24.602 -2.179 0.853 1.00 0.00 C ATOM 51 CG ASP A 4 25.848 -2.233 1.728 1.00 0.00 C ATOM 52 OD1 ASP A 4 26.427 -1.186 1.967 1.00 0.00 O ATOM 53 OD2 ASP A 4 26.208 -3.322 2.146 1.00 0.00 O ATOM 54 H ASP A 4 23.902 0.443 -0.870 1.00 0.00 H ATOM 55 HA ASP A 4 25.761 -0.763 -0.252 1.00 0.00 H ATOM 56 HB2 ASP A 4 23.799 -1.707 1.400 1.00 0.00 H ATOM 57 HB3 ASP A 4 24.310 -3.183 0.585 1.00 0.00 H HETATM 58 N DPN A 5 26.343 -2.958 -1.546 1.00 0.00 N HETATM 59 CA DPN A 5 26.722 -3.897 -2.595 1.00 0.00 C HETATM 60 C DPN A 5 25.728 -5.052 -2.667 1.00 0.00 C HETATM 61 O DPN A 5 25.417 -5.550 -3.748 1.00 0.00 O HETATM 62 CB DPN A 5 26.772 -3.179 -3.945 1.00 0.00 C HETATM 63 CG DPN A 5 26.925 -4.196 -5.050 1.00 0.00 C HETATM 64 CD1 DPN A 5 28.029 -5.057 -5.063 1.00 0.00 C HETATM 65 CD2 DPN A 5 25.961 -4.279 -6.063 1.00 0.00 C HETATM 66 CE1 DPN A 5 28.171 -6.000 -6.089 1.00 0.00 C HETATM 67 CE2 DPN A 5 26.102 -5.221 -7.089 1.00 0.00 C HETATM 68 CZ DPN A 5 27.207 -6.082 -7.101 1.00 0.00 C HETATM 69 H DPN A 5 26.965 -2.785 -0.808 1.00 0.00 H HETATM 70 HA DPN A 5 27.703 -4.293 -2.374 1.00 0.00 H HETATM 71 HB2 DPN A 5 25.858 -2.623 -4.091 1.00 0.00 H HETATM 72 HB3 DPN A 5 27.612 -2.502 -3.962 1.00 0.00 H HETATM 73 HD1 DPN A 5 28.772 -4.993 -4.282 1.00 0.00 H HETATM 74 HD2 DPN A 5 25.109 -3.615 -6.053 1.00 0.00 H HETATM 75 HE1 DPN A 5 29.022 -6.663 -6.099 1.00 0.00 H HETATM 76 HE2 DPN A 5 25.360 -5.285 -7.870 1.00 0.00 H HETATM 77 HZ DPN A 5 27.315 -6.809 -7.892 1.00 0.00 H ATOM 78 N LEU A 6 25.231 -5.471 -1.507 1.00 0.00 N ATOM 79 CA LEU A 6 24.279 -6.574 -1.449 1.00 0.00 C ATOM 80 C LEU A 6 23.187 -6.396 -2.500 1.00 0.00 C ATOM 81 O LEU A 6 22.416 -7.316 -2.769 1.00 0.00 O ATOM 82 CB LEU A 6 23.645 -6.645 -0.059 1.00 0.00 C ATOM 83 CG LEU A 6 23.561 -8.104 0.391 1.00 0.00 C ATOM 84 CD1 LEU A 6 23.023 -8.168 1.821 1.00 0.00 C ATOM 85 CD2 LEU A 6 22.620 -8.871 -0.541 1.00 0.00 C ATOM 86 H LEU A 6 25.508 -5.030 -0.677 1.00 0.00 H ATOM 87 HA LEU A 6 24.802 -7.499 -1.641 1.00 0.00 H ATOM 88 HB2 LEU A 6 24.249 -6.085 0.641 1.00 0.00 H ATOM 89 HB3 LEU A 6 22.652 -6.223 -0.094 1.00 0.00 H ATOM 90 HG LEU A 6 24.545 -8.549 0.356 1.00 0.00 H ATOM 91 HD11 LEU A 6 21.964 -7.955 1.817 1.00 0.00 H ATOM 92 HD12 LEU A 6 23.535 -7.439 2.431 1.00 0.00 H ATOM 93 HD13 LEU A 6 23.190 -9.156 2.225 1.00 0.00 H ATOM 94 HD21 LEU A 6 22.317 -9.793 -0.068 1.00 0.00 H ATOM 95 HD22 LEU A 6 23.130 -9.091 -1.467 1.00 0.00 H ATOM 96 HD23 LEU A 6 21.747 -8.269 -0.747 1.00 0.00 H ATOM 97 N LEU A 7 23.131 -5.207 -3.090 1.00 0.00 N ATOM 98 CA LEU A 7 22.128 -4.918 -4.110 1.00 0.00 C ATOM 99 C LEU A 7 20.754 -4.736 -3.473 1.00 0.00 C ATOM 100 O LEU A 7 19.783 -5.171 -4.070 1.00 0.00 O ATOM 101 CB LEU A 7 22.074 -6.059 -5.127 1.00 0.00 C ATOM 102 CG LEU A 7 21.876 -5.484 -6.530 1.00 0.00 C ATOM 103 CD1 LEU A 7 22.060 -6.592 -7.568 1.00 0.00 C ATOM 104 CD2 LEU A 7 20.463 -4.906 -6.648 1.00 0.00 C ATOM 105 H LEU A 7 23.773 -4.512 -2.836 1.00 0.00 H ATOM 106 HA LEU A 7 22.400 -4.008 -4.622 1.00 0.00 H ATOM 107 HB2 LEU A 7 22.999 -6.616 -5.092 1.00 0.00 H ATOM 108 HB3 LEU A 7 21.250 -6.714 -4.889 1.00 0.00 H ATOM 109 HG LEU A 7 22.602 -4.703 -6.705 1.00 0.00 H ATOM 110 HD11 LEU A 7 23.109 -6.835 -7.653 1.00 0.00 H ATOM 111 HD12 LEU A 7 21.690 -6.255 -8.524 1.00 0.00 H ATOM 112 HD13 LEU A 7 21.512 -7.470 -7.258 1.00 0.00 H ATOM 113 HD21 LEU A 7 20.375 -4.040 -6.010 1.00 0.00 H ATOM 114 HD22 LEU A 7 19.743 -5.652 -6.345 1.00 0.00 H ATOM 115 HD23 LEU A 7 20.276 -4.620 -7.673 1.00 0.00 H TER 116 LEU A 7 ENDMDL MODEL 10 ATOM 1 N ILE A 1 23.446 -1.972 7.080 1.00 0.00 N ATOM 2 CA ILE A 1 23.886 -2.243 5.682 1.00 0.00 C ATOM 3 C ILE A 1 22.739 -2.876 4.904 1.00 0.00 C ATOM 4 O ILE A 1 22.322 -3.998 5.196 1.00 0.00 O ATOM 5 CB ILE A 1 25.088 -3.189 5.703 1.00 0.00 C ATOM 6 CG1 ILE A 1 25.183 -3.920 4.362 1.00 0.00 C ATOM 7 CG2 ILE A 1 24.914 -4.211 6.829 1.00 0.00 C ATOM 8 CD1 ILE A 1 26.577 -4.534 4.213 1.00 0.00 C ATOM 9 H1 ILE A 1 24.265 -1.681 7.651 1.00 0.00 H ATOM 10 H2 ILE A 1 23.026 -2.834 7.484 1.00 0.00 H ATOM 11 H3 ILE A 1 22.739 -1.209 7.079 1.00 0.00 H ATOM 12 HA ILE A 1 24.170 -1.314 5.209 1.00 0.00 H ATOM 13 HB ILE A 1 25.991 -2.620 5.871 1.00 0.00 H ATOM 14 HG12 ILE A 1 24.439 -4.701 4.325 1.00 0.00 H ATOM 15 HG13 ILE A 1 25.013 -3.221 3.557 1.00 0.00 H ATOM 16 HG21 ILE A 1 25.618 -5.018 6.694 1.00 0.00 H ATOM 17 HG22 ILE A 1 23.908 -4.603 6.807 1.00 0.00 H ATOM 18 HG23 ILE A 1 25.093 -3.732 7.780 1.00 0.00 H ATOM 19 HD11 ILE A 1 26.597 -5.175 3.344 1.00 0.00 H ATOM 20 HD12 ILE A 1 26.810 -5.115 5.094 1.00 0.00 H ATOM 21 HD13 ILE A 1 27.307 -3.747 4.098 1.00 0.00 H ATOM 22 N ASN A 2 22.231 -2.152 3.913 1.00 0.00 N ATOM 23 CA ASN A 2 21.130 -2.654 3.098 1.00 0.00 C ATOM 24 C ASN A 2 21.325 -2.263 1.636 1.00 0.00 C ATOM 25 O ASN A 2 20.760 -1.275 1.168 1.00 0.00 O ATOM 26 CB ASN A 2 19.803 -2.090 3.607 1.00 0.00 C ATOM 27 CG ASN A 2 18.640 -2.859 2.992 1.00 0.00 C ATOM 28 OD1 ASN A 2 18.500 -4.062 3.216 1.00 0.00 O ATOM 29 ND2 ASN A 2 17.789 -2.235 2.223 1.00 0.00 N ATOM 30 H ASN A 2 22.602 -1.265 3.726 1.00 0.00 H ATOM 31 HA ASN A 2 21.103 -3.731 3.171 1.00 0.00 H ATOM 32 HB2 ASN A 2 19.764 -2.182 4.683 1.00 0.00 H ATOM 33 HB3 ASN A 2 19.727 -1.048 3.333 1.00 0.00 H ATOM 34 HD21 ASN A 2 17.902 -1.277 2.046 1.00 0.00 H ATOM 35 HD22 ASN A 2 17.039 -2.721 1.824 1.00 0.00 H ATOM 36 N CYS A 3 22.126 -3.045 0.920 1.00 0.00 N ATOM 37 CA CYS A 3 22.386 -2.771 -0.488 1.00 0.00 C ATOM 38 C CYS A 3 22.519 -1.250 -0.762 1.00 0.00 C ATOM 39 O CYS A 3 21.444 -0.684 -0.965 1.00 0.00 O ATOM 40 CB CYS A 3 21.221 -3.273 -1.342 1.00 0.00 C ATOM 41 SG CYS A 3 21.514 -2.842 -3.075 1.00 0.00 S ATOM 42 H CYS A 3 22.550 -3.819 1.346 1.00 0.00 H ATOM 43 HA CYS A 3 23.285 -3.289 -0.786 1.00 0.00 H ATOM 44 HB2 CYS A 3 21.140 -4.346 -1.246 1.00 0.00 H ATOM 45 HB3 CYS A 3 20.304 -2.812 -1.006 1.00 0.00 H ATOM 46 N ASP A 4 23.686 -0.615 -0.783 1.00 0.00 N ATOM 47 CA ASP A 4 24.936 -1.328 -0.540 1.00 0.00 C ATOM 48 C ASP A 4 25.199 -2.341 -1.649 1.00 0.00 C ATOM 49 O ASP A 4 24.344 -2.577 -2.503 1.00 0.00 O ATOM 50 CB ASP A 4 24.872 -2.049 0.807 1.00 0.00 C ATOM 51 CG ASP A 4 26.102 -1.705 1.641 1.00 0.00 C ATOM 52 OD1 ASP A 4 26.366 -0.527 1.814 1.00 0.00 O ATOM 53 OD2 ASP A 4 26.762 -2.626 2.094 1.00 0.00 O ATOM 54 H ASP A 4 23.708 0.347 -0.964 1.00 0.00 H ATOM 55 HA ASP A 4 25.746 -0.615 -0.516 1.00 0.00 H ATOM 56 HB2 ASP A 4 23.982 -1.741 1.338 1.00 0.00 H ATOM 57 HB3 ASP A 4 24.840 -3.116 0.642 1.00 0.00 H HETATM 58 N DPN A 5 26.387 -2.936 -1.630 1.00 0.00 N HETATM 59 CA DPN A 5 26.748 -3.931 -2.634 1.00 0.00 C HETATM 60 C DPN A 5 25.792 -5.117 -2.582 1.00 0.00 C HETATM 61 O DPN A 5 25.788 -5.964 -3.475 1.00 0.00 O HETATM 62 CB DPN A 5 26.710 -3.303 -4.029 1.00 0.00 C HETATM 63 CG DPN A 5 26.737 -4.393 -5.073 1.00 0.00 C HETATM 64 CD1 DPN A 5 27.769 -5.340 -5.069 1.00 0.00 C HETATM 65 CD2 DPN A 5 25.732 -4.457 -6.045 1.00 0.00 C HETATM 66 CE1 DPN A 5 27.794 -6.351 -6.038 1.00 0.00 C HETATM 67 CE2 DPN A 5 25.757 -5.468 -7.013 1.00 0.00 C HETATM 68 CZ DPN A 5 26.788 -6.415 -7.009 1.00 0.00 C HETATM 69 H DPN A 5 27.031 -2.703 -0.930 1.00 0.00 H HETATM 70 HA DPN A 5 27.751 -4.280 -2.437 1.00 0.00 H HETATM 71 HB2 DPN A 5 25.805 -2.722 -4.137 1.00 0.00 H HETATM 72 HB3 DPN A 5 27.568 -2.661 -4.159 1.00 0.00 H HETATM 73 HD1 DPN A 5 28.544 -5.291 -4.319 1.00 0.00 H HETATM 74 HD2 DPN A 5 24.936 -3.727 -6.048 1.00 0.00 H HETATM 75 HE1 DPN A 5 28.589 -7.081 -6.034 1.00 0.00 H HETATM 76 HE2 DPN A 5 24.982 -5.517 -7.763 1.00 0.00 H HETATM 77 HZ DPN A 5 26.808 -7.195 -7.756 1.00 0.00 H ATOM 78 N LEU A 6 24.981 -5.171 -1.530 1.00 0.00 N ATOM 79 CA LEU A 6 24.031 -6.265 -1.366 1.00 0.00 C ATOM 80 C LEU A 6 22.872 -6.121 -2.348 1.00 0.00 C ATOM 81 O LEU A 6 21.773 -6.617 -2.103 1.00 0.00 O ATOM 82 CB LEU A 6 23.490 -6.277 0.066 1.00 0.00 C ATOM 83 CG LEU A 6 23.424 -7.717 0.575 1.00 0.00 C ATOM 84 CD1 LEU A 6 23.032 -7.719 2.053 1.00 0.00 C ATOM 85 CD2 LEU A 6 22.377 -8.493 -0.229 1.00 0.00 C ATOM 86 H LEU A 6 25.021 -4.463 -0.853 1.00 0.00 H ATOM 87 HA LEU A 6 24.536 -7.200 -1.554 1.00 0.00 H ATOM 88 HB2 LEU A 6 24.144 -5.699 0.702 1.00 0.00 H ATOM 89 HB3 LEU A 6 22.500 -5.846 0.079 1.00 0.00 H ATOM 90 HG LEU A 6 24.390 -8.185 0.458 1.00 0.00 H ATOM 91 HD11 LEU A 6 23.195 -8.702 2.468 1.00 0.00 H ATOM 92 HD12 LEU A 6 21.989 -7.456 2.150 1.00 0.00 H ATOM 93 HD13 LEU A 6 23.636 -6.999 2.587 1.00 0.00 H ATOM 94 HD21 LEU A 6 21.439 -7.959 -0.209 1.00 0.00 H ATOM 95 HD22 LEU A 6 22.243 -9.473 0.206 1.00 0.00 H ATOM 96 HD23 LEU A 6 22.713 -8.597 -1.250 1.00 0.00 H ATOM 97 N LEU A 7 23.128 -5.440 -3.460 1.00 0.00 N ATOM 98 CA LEU A 7 22.099 -5.234 -4.472 1.00 0.00 C ATOM 99 C LEU A 7 20.982 -4.348 -3.929 1.00 0.00 C ATOM 100 O LEU A 7 19.916 -4.873 -3.656 1.00 0.00 O ATOM 101 CB LEU A 7 21.517 -6.581 -4.906 1.00 0.00 C ATOM 102 CG LEU A 7 20.772 -6.412 -6.231 1.00 0.00 C ATOM 103 CD1 LEU A 7 21.671 -6.861 -7.385 1.00 0.00 C ATOM 104 CD2 LEU A 7 19.502 -7.267 -6.213 1.00 0.00 C ATOM 105 H LEU A 7 24.024 -5.069 -3.602 1.00 0.00 H ATOM 106 HA LEU A 7 22.541 -4.753 -5.331 1.00 0.00 H ATOM 107 HB2 LEU A 7 22.319 -7.295 -5.032 1.00 0.00 H ATOM 108 HB3 LEU A 7 20.831 -6.937 -4.152 1.00 0.00 H ATOM 109 HG LEU A 7 20.507 -5.373 -6.365 1.00 0.00 H ATOM 110 HD11 LEU A 7 21.282 -6.476 -8.315 1.00 0.00 H ATOM 111 HD12 LEU A 7 21.693 -7.941 -7.424 1.00 0.00 H ATOM 112 HD13 LEU A 7 22.671 -6.486 -7.229 1.00 0.00 H ATOM 113 HD21 LEU A 7 19.006 -7.194 -7.170 1.00 0.00 H ATOM 114 HD22 LEU A 7 18.840 -6.911 -5.437 1.00 0.00 H ATOM 115 HD23 LEU A 7 19.764 -8.296 -6.020 1.00 0.00 H TER 116 LEU A 7 ENDMDL CONECT 41 99 CONECT 48 58 CONECT 58 48 59 69 CONECT 59 58 60 62 70 CONECT 60 59 61 78 CONECT 61 60 CONECT 62 59 63 71 72 CONECT 63 62 64 65 CONECT 64 63 66 73 CONECT 65 63 67 74 CONECT 66 64 68 75 CONECT 67 65 68 76 CONECT 68 66 67 77 CONECT 69 58 CONECT 70 59 CONECT 71 62 CONECT 72 62 CONECT 73 64 CONECT 74 65 CONECT 75 66 CONECT 76 67 CONECT 77 68 CONECT 78 60 CONECT 99 41 MASTER 115 0 1 0 0 0 0 6 57 1 24 1 END