HEADER PEPTAIBOL 31-JAN-01 1GQ0 TITLE SOLUTION STRUCTURE OF ANTIAMOEBIN I, A MEMBRANE TITLE 2 CHANNEL-FORMING POLYPEPTIDE; NMR, 20 STRUCTURES COMPND MOL_ID: 1; COMPND 2 MOLECULE: ANTIAMOEBIN I; COMPND 3 CHAIN: A SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: EMERICELLOPSIS SP. KEYWDS PEPTAIBOL, ION CHANNEL, MEMBRANE POLYPEPTIDE, ANTIBIOTIC EXPDTA NMR, 20 STRUCTURES AUTHOR T.P.GALBRAITH,R.HARRIS,P.C.DRISCOLL,B.A.WALLACE REVDAT 2 03-FEB-03 1GQ0 1 SOURCE REVDAT 1 24-JAN-03 1GQ0 0 JRNL AUTH T.P.GALBRAITH,R.HARRIS,P.C.DRISCOLL,B.A.WALLACE JRNL TITL SOLUTION NMR STUDIES OF ANTIAMOEBIN, A MEMBRANE JRNL TITL 2 CHANNEL-FORMING POLYPEPTIDE JRNL REF BIOPHYS.J. V. 84 185 2003 JRNL REFN ASTM BIOJAU US ISSN 0006-3495 REMARK 1 REMARK 1 REFERENCE 1 REMARK 1 AUTH C.F.SNOOK,G.A.WOOLEY,G.OLIVA,V.PATTABHI,S.P.WOOD, REMARK 1 AUTH 2 T.L.BLUNDELL,B.A.WALLACE REMARK 1 TITL THE STRUCTURE AND FUNCTION OF ANTIAMOEBIN I, A REMARK 1 TITL 2 PROLINE-RICH MEMBRANE-ACTIVE POLYPEPTIDE REMARK 1 REF STRUCTURE (LONDON) V. 6 783 1998 REMARK 1 REFN ASTM STRUE6 UK ISSN 0969-2126 REMARK 1 REFERENCE 2 REMARK 1 AUTH H.DUCLOHIER,C.F.SNOOK,B.A.WALLACE REMARK 1 TITL ANTIAMOEBIN CAN FUNCTION AS A CARRIER OR AS A REMARK 1 TITL 2 PORE-FORMING PEPTAIBOL REMARK 1 REF BIOCHIM.BIOPHYS.ACTA V.1415 255 1998 REMARK 1 REFN ASTM BBACAQ NE ISSN 0006-3002 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : X-PLOR 3.1 REMARK 3 AUTHORS : BRUNGER REMARK 3 REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. REMARK 3 PROTEIN ATOMS : 39 REMARK 3 NUCLEIC ACID ATOMS : 0 REMARK 3 HETEROGEN ATOMS : 80 REMARK 3 SOLVENT ATOMS : 0 REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: 246 ATOMS USED IN SIMULATED REMARK 3 ANNEALING (INCLUDING HYDROGENS) REMARK 3 RMSD VALUES FROM IDEAL GEOMETRY FOR 20 MODELS: REMARK 3 BOND DISTANCES 0.013 ANGSTROMS, STANDARD DEVIATION 0.0001 REMARK 3 BOND ANGLES 2.92 DEGREES, STANDARD DEVIATION 0.017 REMARK 3 IMPROPER ANGLES 6.62 DEGREES, STANDARD DEVIATION 0.028 REMARK 4 REMARK 4 1GQ0 COMPLIES WITH FORMAT V. 2.3, 09-JULY-1998 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY EBI ON 19-NOV-2001. REMARK 100 THE EBI ID CODE IS EBI-5778. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 298 REMARK 210 PH : 7.0 REMARK 210 IONIC STRENGTH : NULL REMARK 210 PRESSURE : 1 ATM REMARK 210 SAMPLE CONTENTS : NULL REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : NOESY, ROESY, DQF-COSY, REMARK 210 TOCSY, HSQC REMARK 210 SPECTROMETER FIELD STRENGTH : 500MHZ REMARK 210 SPECTROMETER MODEL : UNITY+ REMARK 210 SPECTROMETER MANUFACTURER : VARIAN REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : MARDIGRAS, XPLOR REMARK 210 METHOD USED : SIMULATED ANNEALING REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 100 REMARK 210 CONFORMERS, NUMBER SUBMITTED : 20 REMARK 210 CONFORMERS, SELECTION CRITERIA : LOWEST ENERGY REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : MODEL 1 REMARK 210 REMARK 210 REMARK: NULL REMARK 215 REMARK 215 NMR STUDY REMARK 215 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM SOLUTION REMARK 215 NMR DATA. PROTEIN DATA BANK CONVENTIONS REQUIRE THAT REMARK 215 CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES ON REMARK 215 THESE RECORDS ARE MEANINGLESS. REMARK 300 REMARK 300 BIOMOLECULE: 1 REMARK 300 THIS ENTRY CONTAINS 1 CHAIN(S). SEE REMARK 350 FOR REMARK 300 INFORMATION ON GENERATING THE BIOLOGICAL MOLECULE(S). REMARK 350 REMARK 350 GENERATING THE BIOMOLECULE 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. REMARK 350 REMARK 350 BIOMOLECULE: 1 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 600 REMARK 600 HETEROGEN REMARK 600 ACE HYDROGEN REPLACES TERMINAL AMINE, FORMS ACETYL GROUP REMARK 600 AIB METHYL GROUP REPLACES ALPHA HYDROGEN REMARK 600 DIV METHYL GROUP REPLACES ALPHA HYDROGEN, D CONFIGURATION REMARK 600 PDH CH2-OH ALCOHOL GROUP REPLACES TERMINAL CARBOXYL REMARK 999 REMARK 999 SEQUENCE REMARK 999 THE ANTIBIOTIC REPORTED HERE IS SIMILAR IN STRUCTURE TO THAT REMARK 999 FOUND IN EMBL:AAB11467 FROM THE SPECIES ACREMONIUM TUBAKII DBREF 1GQ0 A 1 17 PDB 1GQ0 1GQ0 1 17 SEQRES 1 A 17 ACE PHE AIB AIB AIB DIV GLY LEU AIB AIB HYP GLN DIV SEQRES 2 A 17 HYP AIB PRO PDH HET ACE A 1 3 HET AIB A 3 6 HET AIB A 4 6 HET AIB A 5 6 HET DIV A 6 7 HET AIB A 9 6 HET AIB A 10 6 HET HYP A 11 8 HET DIV A 13 7 HET HYP A 14 8 HET AIB A 15 6 HET PDH A 17 11 HETNAM ACE ACETYL GROUP HETNAM AIB ALPHA-AMINOISOBUTYRIC ACID HETNAM PDH D-PHENYLALANINOL HETNAM DIV D-ISOVALINE HETSYN HYP 4-HYDROXYPROLINE FORMUL 2 ACE C2 H3 O1 FORMUL 3 HYP 2(C5 H9 N1 O3) FORMUL 4 AIB 6(C4 H9 N1 O2) FORMUL 5 PDH C9 H13 N1 O1 FORMUL 6 DIV 2(C5 H11 N1 O2) LINK C ACE A 1 N PHE A 2 1555 1555 LINK C PHE A 2 N AIB A 3 1555 1555 LINK C AIB A 3 N AIB A 4 1555 1555 LINK C AIB A 4 N AIB A 5 1555 1555 LINK C AIB A 5 N DIV A 6 1555 1555 LINK C DIV A 6 N GLY A 7 1555 1555 LINK C AIB A 10 N HYP A 11 1555 1555 LINK C HYP A 11 N GLN A 12 1555 1555 LINK C GLN A 12 N DIV A 13 1555 1555 LINK C DIV A 13 N HYP A 14 1555 1555 LINK C HYP A 14 N AIB A 15 1555 1555 LINK C PRO A 16 N PDH A 17 1555 1555 HYDBND O PHE A 2 A 4 1HN AIB A 4 HYDBND O PHE A 2 A 5 1HN AIB A 5 HYDBND O1 AIB A 4 A 7 H GLY A 7 HYDBND O1 AIB A 5 A 8 H LEU A 8 HYDBND O1 AIB A 9 A 12 H GLN A 12 HYDBND O DIV A 13 A 15 1HN AIB A 15 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 HETATM 1 C ACE A 1 2.187 4.719 -0.847 1.00 20.00 C HETATM 2 O ACE A 1 1.008 5.071 -0.799 1.00 20.00 O HETATM 3 CH3 ACE A 1 2.409 5.765 0.270 1.00 20.00 C HETATM 4 1H ACE A 1 1.766 5.549 1.110 1.00 20.00 H HETATM 5 2H ACE A 1 2.177 6.753 -0.106 1.00 20.00 H HETATM 6 3H ACE A 1 3.438 5.745 0.594 1.00 20.00 H ATOM 7 N PHE A 2 2.588 3.536 -0.343 1.00 20.00 N ATOM 8 CA PHE A 2 1.505 2.833 0.339 1.00 20.00 C ATOM 9 C PHE A 2 2.053 1.883 1.398 1.00 20.00 C ATOM 10 O PHE A 2 3.244 1.532 1.354 1.00 20.00 O ATOM 11 CB PHE A 2 0.659 2.055 -0.671 1.00 20.00 C ATOM 12 CG PHE A 2 -0.366 2.899 -1.375 1.00 20.00 C ATOM 13 CD1 PHE A 2 -1.426 3.453 -0.675 1.00 20.00 C ATOM 14 CD2 PHE A 2 -0.271 3.137 -2.738 1.00 20.00 C ATOM 15 CE1 PHE A 2 -2.372 4.229 -1.319 1.00 20.00 C ATOM 16 CE2 PHE A 2 -1.214 3.912 -3.388 1.00 20.00 C ATOM 17 CZ PHE A 2 -2.265 4.458 -2.677 1.00 20.00 C ATOM 18 H PHE A 2 3.169 3.664 0.439 1.00 20.00 H ATOM 19 HA PHE A 2 0.883 3.571 0.823 1.00 20.00 H ATOM 20 1HB PHE A 2 1.309 1.628 -1.419 1.00 20.00 H ATOM 21 2HB PHE A 2 0.139 1.260 -0.156 1.00 20.00 H ATOM 22 HD1 PHE A 2 -1.510 3.276 0.387 1.00 20.00 H ATOM 23 HD2 PHE A 2 0.550 2.710 -3.295 1.00 20.00 H ATOM 24 HE1 PHE A 2 -3.193 4.654 -0.762 1.00 20.00 H ATOM 25 HE2 PHE A 2 -1.129 4.090 -4.450 1.00 20.00 H ATOM 26 HZ PHE A 2 -3.004 5.063 -3.183 1.00 20.00 H HETATM 27 N AIB A 3 1.164 1.490 2.336 1.00 20.00 N HETATM 28 CA AIB A 3 1.529 0.579 3.430 1.00 20.00 C HETATM 29 C AIB A 3 1.905 -0.816 2.894 1.00 20.00 C HETATM 30 O1 AIB A 3 1.288 -1.804 3.324 1.00 20.00 O HETATM 31 CB1 AIB A 3 0.345 0.387 4.376 1.00 20.00 C HETATM 32 CB2 AIB A 3 2.743 1.121 4.184 1.00 20.00 C HETATM 33 1HN AIB A 3 0.243 1.823 2.291 1.00 20.00 H HETATM 34 1HB1 AIB A 3 0.697 -0.040 5.308 1.00 20.00 H HETATM 35 2HB1 AIB A 3 -0.371 -0.282 3.938 1.00 20.00 H HETATM 36 3HB1 AIB A 3 -0.131 1.344 4.553 1.00 20.00 H HETATM 37 1HB2 AIB A 3 2.746 0.727 5.194 1.00 20.00 H HETATM 38 2HB2 AIB A 3 2.700 2.192 4.231 1.00 20.00 H HETATM 39 3HB2 AIB A 3 3.649 0.831 3.663 1.00 20.00 H HETATM 40 N AIB A 4 2.911 -0.864 1.968 1.00 20.00 N HETATM 41 CA AIB A 4 3.369 -2.128 1.376 1.00 20.00 C HETATM 42 C AIB A 4 4.560 -1.898 0.425 1.00 20.00 C HETATM 43 O1 AIB A 4 5.422 -2.786 0.350 1.00 20.00 O HETATM 44 CB1 AIB A 4 3.841 -3.087 2.468 1.00 20.00 C HETATM 45 CB2 AIB A 4 2.248 -2.756 0.549 1.00 20.00 C HETATM 46 1HN AIB A 4 3.360 -0.039 1.669 1.00 20.00 H HETATM 47 1HB1 AIB A 4 3.874 -4.096 2.072 1.00 20.00 H HETATM 48 2HB1 AIB A 4 3.163 -3.065 3.300 1.00 20.00 H HETATM 49 3HB1 AIB A 4 4.825 -2.785 2.812 1.00 20.00 H HETATM 50 1HB2 AIB A 4 2.422 -2.561 -0.504 1.00 20.00 H HETATM 51 2HB2 AIB A 4 1.302 -2.332 0.827 1.00 20.00 H HETATM 52 3HB2 AIB A 4 2.218 -3.825 0.735 1.00 20.00 H HETATM 53 N AIB A 5 4.568 -0.715 -0.274 1.00 20.00 N HETATM 54 CA AIB A 5 5.637 -0.360 -1.222 1.00 20.00 C HETATM 55 C AIB A 5 6.812 -1.356 -1.158 1.00 20.00 C HETATM 56 O1 AIB A 5 7.872 -0.995 -0.620 1.00 20.00 O HETATM 57 CB1 AIB A 5 5.105 -0.405 -2.654 1.00 20.00 C HETATM 58 CB2 AIB A 5 6.189 1.028 -0.892 1.00 20.00 C HETATM 59 1HN AIB A 5 3.844 -0.053 -0.166 1.00 20.00 H HETATM 60 1HB1 AIB A 5 5.939 -0.406 -3.348 1.00 20.00 H HETATM 61 2HB1 AIB A 5 4.495 0.456 -2.850 1.00 20.00 H HETATM 62 3HB1 AIB A 5 4.502 -1.297 -2.787 1.00 20.00 H HETATM 63 1HB2 AIB A 5 5.944 1.713 -1.697 1.00 20.00 H HETATM 64 2HB2 AIB A 5 7.256 0.988 -0.786 1.00 20.00 H HETATM 65 3HB2 AIB A 5 5.757 1.375 0.040 1.00 20.00 H HETATM 66 N DIV A 6 6.602 -2.590 -1.720 1.00 20.00 N HETATM 67 CA DIV A 6 7.646 -3.635 -1.740 1.00 20.00 C HETATM 68 CB1 DIV A 6 7.121 -5.031 -1.925 1.00 20.00 C HETATM 69 CG1 DIV A 6 6.280 -5.516 -0.756 1.00 20.00 C HETATM 70 CB2 DIV A 6 8.415 -3.693 -3.052 1.00 20.00 C HETATM 71 C DIV A 6 8.614 -3.455 -0.547 1.00 20.00 C HETATM 72 O DIV A 6 9.795 -3.169 -0.740 1.00 20.00 O HETATM 73 1HN DIV A 6 5.742 -2.823 -2.135 1.00 20.00 H HETATM 74 1HB1 DIV A 6 7.947 -5.719 -2.038 1.00 20.00 H HETATM 75 2HB1 DIV A 6 6.504 -5.072 -2.811 1.00 20.00 H HETATM 76 1HG1 DIV A 6 5.886 -6.496 -0.984 1.00 20.00 H HETATM 77 2HG1 DIV A 6 5.459 -4.834 -0.580 1.00 20.00 H HETATM 78 3HG1 DIV A 6 6.895 -5.578 0.129 1.00 20.00 H HETATM 79 1HB2 DIV A 6 9.157 -4.476 -3.005 1.00 20.00 H HETATM 80 2HB2 DIV A 6 8.905 -2.748 -3.230 1.00 20.00 H HETATM 81 3HB2 DIV A 6 7.734 -3.898 -3.866 1.00 20.00 H ATOM 82 N GLY A 7 8.099 -3.643 0.684 1.00 20.00 N ATOM 83 CA GLY A 7 8.953 -3.510 1.855 1.00 20.00 C ATOM 84 C GLY A 7 9.030 -2.096 2.426 1.00 20.00 C ATOM 85 O GLY A 7 9.887 -1.830 3.268 1.00 20.00 O ATOM 86 H GLY A 7 7.147 -3.892 0.802 1.00 20.00 H ATOM 87 1HA GLY A 7 9.950 -3.827 1.587 1.00 20.00 H ATOM 88 2HA GLY A 7 8.581 -4.167 2.625 1.00 20.00 H ATOM 89 N LEU A 8 8.138 -1.199 1.984 1.00 20.00 N ATOM 90 CA LEU A 8 8.105 0.183 2.472 1.00 20.00 C ATOM 91 C LEU A 8 9.445 0.624 3.052 1.00 20.00 C ATOM 92 O LEU A 8 9.477 1.228 4.139 1.00 20.00 O ATOM 93 CB LEU A 8 7.015 0.333 3.535 1.00 20.00 C ATOM 94 CG LEU A 8 7.242 -0.483 4.809 1.00 20.00 C ATOM 95 CD1 LEU A 8 7.609 0.429 5.970 1.00 20.00 C ATOM 96 CD2 LEU A 8 6.007 -1.305 5.143 1.00 20.00 C ATOM 97 H LEU A 8 7.479 -1.470 1.320 1.00 20.00 H ATOM 98 HA LEU A 8 7.863 0.821 1.636 1.00 20.00 H ATOM 99 1HB LEU A 8 6.947 1.376 3.806 1.00 20.00 H ATOM 100 2HB LEU A 8 6.074 0.028 3.102 1.00 20.00 H ATOM 101 HG LEU A 8 8.065 -1.164 4.650 1.00 20.00 H ATOM 102 1HD1 LEU A 8 7.755 1.435 5.605 1.00 20.00 H ATOM 103 2HD1 LEU A 8 6.811 0.423 6.699 1.00 20.00 H ATOM 104 3HD1 LEU A 8 8.520 0.077 6.430 1.00 20.00 H ATOM 105 1HD2 LEU A 8 5.256 -1.153 4.382 1.00 20.00 H ATOM 106 2HD2 LEU A 8 6.272 -2.351 5.183 1.00 20.00 H ATOM 107 3HD2 LEU A 8 5.616 -0.996 6.101 1.00 20.00 H HETATM 108 N AIB A 9 10.530 0.312 2.311 1.00 20.00 N HETATM 109 CA AIB A 9 11.893 0.665 2.730 1.00 20.00 C HETATM 110 C AIB A 9 12.940 -0.214 2.017 1.00 20.00 C HETATM 111 O1 AIB A 9 14.104 0.208 1.917 1.00 20.00 O HETATM 112 CB1 AIB A 9 12.184 2.124 2.382 1.00 20.00 C HETATM 113 CB2 AIB A 9 12.058 0.423 4.230 1.00 20.00 C HETATM 114 1HN AIB A 9 10.408 -0.168 1.465 1.00 20.00 H HETATM 115 1HB1 AIB A 9 11.390 2.753 2.771 1.00 20.00 H HETATM 116 2HB1 AIB A 9 12.231 2.247 1.317 1.00 20.00 H HETATM 117 3HB1 AIB A 9 13.138 2.414 2.809 1.00 20.00 H HETATM 118 1HB2 AIB A 9 13.045 0.016 4.423 1.00 20.00 H HETATM 119 2HB2 AIB A 9 11.322 -0.278 4.574 1.00 20.00 H HETATM 120 3HB2 AIB A 9 11.925 1.358 4.763 1.00 20.00 H HETATM 121 N AIB A 10 12.503 -1.425 1.547 1.00 20.00 N HETATM 122 CA AIB A 10 13.395 -2.370 0.859 1.00 20.00 C HETATM 123 C AIB A 10 14.088 -1.715 -0.354 1.00 20.00 C HETATM 124 O1 AIB A 10 15.311 -1.796 -0.465 1.00 20.00 O HETATM 125 CB1 AIB A 10 14.497 -2.851 1.802 1.00 20.00 C HETATM 126 CB2 AIB A 10 12.590 -3.551 0.320 1.00 20.00 C HETATM 127 1HN AIB A 10 11.562 -1.710 1.668 1.00 20.00 H HETATM 128 1HB1 AIB A 10 14.053 -3.218 2.721 1.00 20.00 H HETATM 129 2HB1 AIB A 10 15.162 -2.041 2.039 1.00 20.00 H HETATM 130 3HB1 AIB A 10 15.066 -3.637 1.317 1.00 20.00 H HETATM 131 1HB2 AIB A 10 12.167 -3.289 -0.644 1.00 20.00 H HETATM 132 2HB2 AIB A 10 11.789 -3.793 0.993 1.00 20.00 H HETATM 133 3HB2 AIB A 10 13.238 -4.416 0.224 1.00 20.00 H HETATM 134 N HYP A 11 13.326 -1.085 -1.298 1.00 20.00 N HETATM 135 CA HYP A 11 13.980 -0.487 -2.475 1.00 20.00 C HETATM 136 C HYP A 11 14.626 0.865 -2.191 1.00 20.00 C HETATM 137 O HYP A 11 15.054 1.558 -3.114 1.00 20.00 O HETATM 138 CB HYP A 11 12.844 -0.318 -3.501 1.00 20.00 C HETATM 139 CG HYP A 11 11.634 -1.033 -2.907 1.00 20.00 C HETATM 140 CD HYP A 11 11.866 -0.883 -1.423 1.00 20.00 C HETATM 141 OD HYP A 11 11.662 -2.417 -3.212 1.00 20.00 O HETATM 142 HA HYP A 11 14.727 -1.152 -2.881 1.00 20.00 H HETATM 143 1HB HYP A 11 13.139 -0.762 -4.440 1.00 20.00 H HETATM 144 2HB HYP A 11 12.645 0.734 -3.647 1.00 20.00 H HETATM 145 1HD HYP A 11 11.584 0.107 -1.094 1.00 20.00 H HETATM 146 2HD HYP A 11 11.321 -1.636 -0.875 1.00 20.00 H HETATM 147 HOD HYP A 11 10.767 -2.761 -3.233 1.00 20.00 H HETATM 148 HG HYP A 11 10.749 -0.473 -3.175 1.00 20.00 H ATOM 149 N GLN A 12 14.698 1.243 -0.922 1.00 20.00 N ATOM 150 CA GLN A 12 15.298 2.521 -0.554 1.00 20.00 C ATOM 151 C GLN A 12 16.678 2.329 0.066 1.00 20.00 C ATOM 152 O GLN A 12 17.488 3.273 0.067 1.00 20.00 O ATOM 153 CB GLN A 12 14.392 3.278 0.414 1.00 20.00 C ATOM 154 CG GLN A 12 13.111 3.787 -0.227 1.00 20.00 C ATOM 155 CD GLN A 12 13.354 4.460 -1.563 1.00 20.00 C ATOM 156 OE1 GLN A 12 13.476 3.795 -2.592 1.00 20.00 O ATOM 157 NE2 GLN A 12 13.424 5.786 -1.555 1.00 20.00 N ATOM 158 H GLN A 12 14.340 0.658 -0.222 1.00 20.00 H ATOM 159 HA GLN A 12 15.405 3.104 -1.456 1.00 20.00 H ATOM 160 1HB GLN A 12 14.128 2.621 1.228 1.00 20.00 H ATOM 161 2HB GLN A 12 14.933 4.125 0.808 1.00 20.00 H ATOM 162 1HG GLN A 12 12.443 2.952 -0.380 1.00 20.00 H ATOM 163 2HG GLN A 12 12.648 4.499 0.441 1.00 20.00 H ATOM 164 1HE2 GLN A 12 13.317 6.250 -0.698 1.00 20.00 H ATOM 165 2HE2 GLN A 12 13.578 6.246 -2.406 1.00 20.00 H HETATM 166 N DIV A 13 16.924 1.102 0.580 1.00 20.00 N HETATM 167 CA DIV A 13 18.216 0.757 1.209 1.00 20.00 C HETATM 168 CB1 DIV A 13 18.266 1.002 2.694 1.00 20.00 C HETATM 169 CG1 DIV A 13 17.946 2.443 3.063 1.00 20.00 C HETATM 170 CB2 DIV A 13 18.447 -0.738 1.386 1.00 20.00 C HETATM 171 C DIV A 13 19.386 1.403 0.426 1.00 20.00 C HETATM 172 O DIV A 13 20.336 1.848 1.065 1.00 20.00 O HETATM 173 1HN DIV A 13 16.225 0.416 0.529 1.00 20.00 H HETATM 174 1HB1 DIV A 13 19.257 0.783 3.064 1.00 20.00 H HETATM 175 2HB1 DIV A 13 17.553 0.368 3.202 1.00 20.00 H HETATM 176 1HG1 DIV A 13 18.680 3.104 2.624 1.00 20.00 H HETATM 177 2HG1 DIV A 13 17.971 2.548 4.138 1.00 20.00 H HETATM 178 3HG1 DIV A 13 16.960 2.706 2.703 1.00 20.00 H HETATM 179 1HB2 DIV A 13 18.467 -1.221 0.420 1.00 20.00 H HETATM 180 2HB2 DIV A 13 17.651 -1.163 1.980 1.00 20.00 H HETATM 181 3HB2 DIV A 13 19.390 -0.904 1.885 1.00 20.00 H HETATM 182 N HYP A 14 19.310 1.476 -0.954 1.00 20.00 N HETATM 183 CA HYP A 14 20.370 2.106 -1.755 1.00 20.00 C HETATM 184 C HYP A 14 21.495 2.763 -0.944 1.00 20.00 C HETATM 185 O HYP A 14 22.663 2.369 -1.102 1.00 20.00 O HETATM 186 CB HYP A 14 20.904 0.900 -2.525 1.00 20.00 C HETATM 187 CG HYP A 14 19.641 0.159 -2.957 1.00 20.00 C HETATM 188 CD HYP A 14 18.653 0.459 -1.835 1.00 20.00 C HETATM 189 OD HYP A 14 19.857 -1.242 -2.979 1.00 20.00 O HETATM 190 HA HYP A 14 19.957 2.828 -2.464 1.00 20.00 H HETATM 191 1HB HYP A 14 21.527 0.284 -1.877 1.00 20.00 H HETATM 192 2HB HYP A 14 21.479 1.236 -3.376 1.00 20.00 H HETATM 193 1HD HYP A 14 17.737 0.856 -2.247 1.00 20.00 H HETATM 194 2HD HYP A 14 18.448 -0.445 -1.284 1.00 20.00 H HETATM 195 HOD HYP A 14 20.251 -1.519 -2.148 1.00 20.00 H HETATM 196 HG HYP A 14 19.279 0.624 -3.863 1.00 20.00 H HETATM 197 N AIB A 15 21.130 3.758 -0.084 1.00 20.00 N HETATM 198 CA AIB A 15 22.109 4.469 0.751 1.00 20.00 C HETATM 199 C AIB A 15 23.226 3.518 1.229 1.00 20.00 C HETATM 200 O1 AIB A 15 24.307 3.512 0.641 1.00 20.00 O HETATM 201 CB1 AIB A 15 22.785 5.557 -0.082 1.00 20.00 C HETATM 202 CB2 AIB A 15 21.431 5.072 1.980 1.00 20.00 C HETATM 203 1HN AIB A 15 20.188 4.019 -0.003 1.00 20.00 H HETATM 204 1HB1 AIB A 15 23.441 6.142 0.554 1.00 20.00 H HETATM 205 2HB1 AIB A 15 22.047 6.209 -0.509 1.00 20.00 H HETATM 206 3HB1 AIB A 15 23.351 5.097 -0.885 1.00 20.00 H HETATM 207 1HB2 AIB A 15 20.529 4.513 2.207 1.00 20.00 H HETATM 208 2HB2 AIB A 15 21.164 6.094 1.791 1.00 20.00 H HETATM 209 3HB2 AIB A 15 22.115 5.041 2.822 1.00 20.00 H ATOM 210 N PRO A 16 22.988 2.690 2.291 1.00 20.00 N ATOM 211 CA PRO A 16 24.044 1.783 2.729 1.00 20.00 C ATOM 212 C PRO A 16 24.773 1.137 1.554 1.00 20.00 C ATOM 213 O PRO A 16 25.984 0.921 1.602 1.00 20.00 O ATOM 214 CB PRO A 16 23.301 0.715 3.535 1.00 20.00 C ATOM 215 CG PRO A 16 22.017 1.342 3.976 1.00 20.00 C ATOM 216 CD PRO A 16 21.913 2.694 3.316 1.00 20.00 C ATOM 217 HA PRO A 16 24.760 2.285 3.364 1.00 20.00 H ATOM 218 1HB PRO A 16 23.120 -0.145 2.908 1.00 20.00 H ATOM 219 2HB PRO A 16 23.903 0.422 4.383 1.00 20.00 H ATOM 220 1HG PRO A 16 21.188 0.721 3.673 1.00 20.00 H ATOM 221 2HG PRO A 16 22.020 1.454 5.051 1.00 20.00 H ATOM 222 1HD PRO A 16 20.945 2.810 2.852 1.00 20.00 H ATOM 223 2HD PRO A 16 22.079 3.478 4.040 1.00 20.00 H HETATM 224 C PDH A 17 23.559 -0.911 -1.187 1.00 20.00 C HETATM 225 O PDH A 17 23.367 -0.885 -2.591 1.00 20.00 O HETATM 226 CA PDH A 17 24.612 0.178 -0.736 1.00 20.00 C HETATM 227 N PDH A 17 24.023 0.828 0.500 1.00 20.00 N HETATM 228 CB PDH A 17 25.380 1.011 -1.727 1.00 20.00 C HETATM 229 CG PDH A 17 26.851 1.166 -1.424 1.00 20.00 C HETATM 230 CD1 PDH A 17 27.289 2.090 -0.482 1.00 20.00 C HETATM 231 CD2 PDH A 17 27.792 0.384 -2.085 1.00 20.00 C HETATM 232 CE1 PDH A 17 28.641 2.231 -0.205 1.00 20.00 C HETATM 233 CE2 PDH A 17 29.144 0.521 -1.813 1.00 20.00 C HETATM 234 CZ PDH A 17 29.569 1.445 -0.872 1.00 20.00 C HETATM 235 H1 PDH A 17 22.613 -0.717 -0.704 1.00 20.00 H HETATM 236 H2 PDH A 17 23.914 -1.890 -0.903 1.00 20.00 H HETATM 237 HO PDH A 17 22.456 -1.111 -2.794 1.00 20.00 H HETATM 238 HA PDH A 17 25.447 -0.248 -0.516 1.00 20.00 H HETATM 239 1HB PDH A 17 24.945 2.000 -1.760 1.00 20.00 H HETATM 240 2HB PDH A 17 25.294 0.558 -2.703 1.00 20.00 H HETATM 241 HD1 PDH A 17 26.567 2.701 0.038 1.00 20.00 H HETATM 242 HD2 PDH A 17 27.460 -0.336 -2.819 1.00 20.00 H HETATM 243 HE1 PDH A 17 28.971 2.952 0.528 1.00 20.00 H HETATM 244 HE2 PDH A 17 29.865 -0.092 -2.333 1.00 20.00 H HETATM 245 HZ PDH A 17 30.622 1.553 -0.658 1.00 20.00 H HETATM 246 HN PDH A 17 23.063 1.023 0.523 1.00 20.00 H TER 247 PDH A 17 ENDMDL MODEL 2 HETATM 1 C ACE A 1 2.352 4.815 0.204 1.00 20.00 C HETATM 2 O ACE A 1 2.112 5.622 1.104 1.00 20.00 O HETATM 3 CH3 ACE A 1 3.803 4.853 0.734 1.00 20.00 C HETATM 4 1H ACE A 1 3.833 4.491 1.750 1.00 20.00 H HETATM 5 2H ACE A 1 4.173 5.870 0.710 1.00 20.00 H HETATM 6 3H ACE A 1 4.436 4.235 0.117 1.00 20.00 H ATOM 7 N PHE A 2 1.955 3.530 0.282 1.00 20.00 N ATOM 8 CA PHE A 2 1.339 3.215 1.577 1.00 20.00 C ATOM 9 C PHE A 2 2.349 2.606 2.550 1.00 20.00 C ATOM 10 O PHE A 2 3.511 2.375 2.171 1.00 20.00 O ATOM 11 CB PHE A 2 0.163 2.251 1.385 1.00 20.00 C ATOM 12 CG PHE A 2 -1.174 2.846 1.733 1.00 20.00 C ATOM 13 CD1 PHE A 2 -1.287 3.808 2.726 1.00 20.00 C ATOM 14 CD2 PHE A 2 -2.317 2.444 1.062 1.00 20.00 C ATOM 15 CE1 PHE A 2 -2.517 4.356 3.041 1.00 20.00 C ATOM 16 CE2 PHE A 2 -3.548 2.988 1.374 1.00 20.00 C ATOM 17 CZ PHE A 2 -3.648 3.946 2.364 1.00 20.00 C ATOM 18 H PHE A 2 2.729 2.929 0.351 1.00 20.00 H ATOM 19 HA PHE A 2 0.966 4.137 1.997 1.00 20.00 H ATOM 20 1HB PHE A 2 0.124 1.938 0.353 1.00 20.00 H ATOM 21 2HB PHE A 2 0.313 1.383 2.012 1.00 20.00 H ATOM 22 HD1 PHE A 2 -0.403 4.130 3.257 1.00 20.00 H ATOM 23 HD2 PHE A 2 -2.241 1.696 0.288 1.00 20.00 H ATOM 24 HE1 PHE A 2 -2.592 5.105 3.816 1.00 20.00 H ATOM 25 HE2 PHE A 2 -4.433 2.665 0.843 1.00 20.00 H ATOM 26 HZ PHE A 2 -4.610 4.373 2.608 1.00 20.00 H HETATM 27 N AIB A 3 1.874 2.356 3.791 1.00 20.00 N HETATM 28 CA AIB A 3 2.710 1.766 4.846 1.00 20.00 C HETATM 29 C AIB A 3 3.026 0.288 4.545 1.00 20.00 C HETATM 30 O1 AIB A 3 2.568 -0.587 5.298 1.00 20.00 O HETATM 31 CB1 AIB A 3 1.980 1.803 6.187 1.00 20.00 C HETATM 32 CB2 AIB A 3 4.048 2.500 4.936 1.00 20.00 C HETATM 33 1HN AIB A 3 0.940 2.568 3.997 1.00 20.00 H HETATM 34 1HB1 AIB A 3 2.703 1.917 6.986 1.00 20.00 H HETATM 35 2HB1 AIB A 3 1.438 0.889 6.337 1.00 20.00 H HETATM 36 3HB1 AIB A 3 1.278 2.630 6.190 1.00 20.00 H HETATM 37 1HB2 AIB A 3 3.871 3.569 4.964 1.00 20.00 H HETATM 38 2HB2 AIB A 3 4.654 2.270 4.080 1.00 20.00 H HETATM 39 3HB2 AIB A 3 4.575 2.181 5.830 1.00 20.00 H HETATM 40 N AIB A 4 3.801 0.044 3.443 1.00 20.00 N HETATM 41 CA AIB A 4 4.175 -1.317 3.034 1.00 20.00 C HETATM 42 C AIB A 4 4.715 -1.334 1.591 1.00 20.00 C HETATM 43 O1 AIB A 4 5.456 -2.271 1.256 1.00 20.00 O HETATM 44 CB1 AIB A 4 5.276 -1.865 3.942 1.00 20.00 C HETATM 45 CB2 AIB A 4 2.948 -2.226 3.060 1.00 20.00 C HETATM 46 1HN AIB A 4 4.132 0.784 2.884 1.00 20.00 H HETATM 47 1HB1 AIB A 4 5.878 -1.043 4.316 1.00 20.00 H HETATM 48 2HB1 AIB A 4 5.910 -2.536 3.394 1.00 20.00 H HETATM 49 3HB1 AIB A 4 4.826 -2.407 4.767 1.00 20.00 H HETATM 50 1HB2 AIB A 4 2.593 -2.324 4.081 1.00 20.00 H HETATM 51 2HB2 AIB A 4 3.199 -3.200 2.686 1.00 20.00 H HETATM 52 3HB2 AIB A 4 2.172 -1.800 2.432 1.00 20.00 H HETATM 53 N AIB A 5 4.324 -0.296 0.778 1.00 20.00 N HETATM 54 CA AIB A 5 4.757 -0.179 -0.624 1.00 20.00 C HETATM 55 C AIB A 5 5.827 -1.233 -0.976 1.00 20.00 C HETATM 56 O1 AIB A 5 7.025 -0.921 -0.881 1.00 20.00 O HETATM 57 CB1 AIB A 5 3.570 -0.400 -1.559 1.00 20.00 C HETATM 58 CB2 AIB A 5 5.385 1.194 -0.860 1.00 20.00 C HETATM 59 1HN AIB A 5 3.728 0.418 1.110 1.00 20.00 H HETATM 60 1HB1 AIB A 5 3.917 -0.420 -2.587 1.00 20.00 H HETATM 61 2HB1 AIB A 5 2.860 0.398 -1.452 1.00 20.00 H HETATM 62 3HB1 AIB A 5 3.080 -1.335 -1.309 1.00 20.00 H HETATM 63 1HB2 AIB A 5 6.456 1.136 -0.695 1.00 20.00 H HETATM 64 2HB2 AIB A 5 4.971 1.913 -0.178 1.00 20.00 H HETATM 65 3HB2 AIB A 5 5.176 1.517 -1.874 1.00 20.00 H HETATM 66 N DIV A 6 5.367 -2.461 -1.378 1.00 20.00 N HETATM 67 CA DIV A 6 6.281 -3.559 -1.749 1.00 20.00 C HETATM 68 CB1 DIV A 6 5.645 -4.917 -1.711 1.00 20.00 C HETATM 69 CG1 DIV A 6 5.256 -5.358 -0.309 1.00 20.00 C HETATM 70 CB2 DIV A 6 6.538 -3.657 -3.247 1.00 20.00 C HETATM 71 C DIV A 6 7.614 -3.440 -0.971 1.00 20.00 C HETATM 72 O DIV A 6 8.665 -3.202 -1.567 1.00 20.00 O HETATM 73 1HN DIV A 6 4.403 -2.652 -1.434 1.00 20.00 H HETATM 74 1HB1 DIV A 6 6.332 -5.654 -2.105 1.00 20.00 H HETATM 75 2HB1 DIV A 6 4.748 -4.913 -2.314 1.00 20.00 H HETATM 76 1HG1 DIV A 6 4.726 -6.297 -0.367 1.00 20.00 H HETATM 77 2HG1 DIV A 6 4.617 -4.616 0.152 1.00 20.00 H HETATM 78 3HG1 DIV A 6 6.147 -5.487 0.286 1.00 20.00 H HETATM 79 1HB2 DIV A 6 7.200 -4.484 -3.451 1.00 20.00 H HETATM 80 2HB2 DIV A 6 6.993 -2.742 -3.599 1.00 20.00 H HETATM 81 3HB2 DIV A 6 5.605 -3.812 -3.768 1.00 20.00 H ATOM 82 N GLY A 7 7.553 -3.611 0.366 1.00 20.00 N ATOM 83 CA GLY A 7 8.761 -3.519 1.166 1.00 20.00 C ATOM 84 C GLY A 7 9.228 -2.090 1.377 1.00 20.00 C ATOM 85 O GLY A 7 10.408 -1.855 1.637 1.00 20.00 O ATOM 86 H GLY A 7 6.692 -3.805 0.814 1.00 20.00 H ATOM 87 1HA GLY A 7 9.548 -4.071 0.672 1.00 20.00 H ATOM 88 2HA GLY A 7 8.576 -3.966 2.129 1.00 20.00 H ATOM 89 N LEU A 8 8.302 -1.136 1.271 1.00 20.00 N ATOM 90 CA LEU A 8 8.625 0.274 1.456 1.00 20.00 C ATOM 91 C LEU A 8 10.037 0.583 0.971 1.00 20.00 C ATOM 92 O LEU A 8 10.963 0.683 1.793 1.00 20.00 O ATOM 93 CB LEU A 8 8.478 0.667 2.928 1.00 20.00 C ATOM 94 CG LEU A 8 9.321 -0.150 3.909 1.00 20.00 C ATOM 95 CD1 LEU A 8 10.542 0.642 4.347 1.00 20.00 C ATOM 96 CD2 LEU A 8 8.485 -0.562 5.112 1.00 20.00 C ATOM 97 H LEU A 8 7.380 -1.387 1.065 1.00 20.00 H ATOM 98 HA LEU A 8 7.924 0.849 0.871 1.00 20.00 H ATOM 99 1HB LEU A 8 8.755 1.706 3.028 1.00 20.00 H ATOM 100 2HB LEU A 8 7.440 0.560 3.207 1.00 20.00 H ATOM 101 HG LEU A 8 9.666 -1.047 3.419 1.00 20.00 H ATOM 102 1HD1 LEU A 8 10.630 1.533 3.743 1.00 20.00 H ATOM 103 2HD1 LEU A 8 10.436 0.921 5.385 1.00 20.00 H ATOM 104 3HD1 LEU A 8 11.427 0.036 4.226 1.00 20.00 H ATOM 105 1HD2 LEU A 8 7.981 0.305 5.514 1.00 20.00 H ATOM 106 2HD2 LEU A 8 7.753 -1.295 4.807 1.00 20.00 H ATOM 107 3HD2 LEU A 8 9.127 -0.987 5.868 1.00 20.00 H HETATM 108 N AIB A 9 10.169 0.729 -0.367 1.00 20.00 N HETATM 109 CA AIB A 9 11.460 1.032 -1.000 1.00 20.00 C HETATM 110 C AIB A 9 12.455 -0.132 -0.828 1.00 20.00 C HETATM 111 O1 AIB A 9 13.670 0.106 -0.929 1.00 20.00 O HETATM 112 CB1 AIB A 9 11.286 1.250 -2.503 1.00 20.00 C HETATM 113 CB2 AIB A 9 12.089 2.260 -0.343 1.00 20.00 C HETATM 114 1HN AIB A 9 9.377 0.633 -0.938 1.00 20.00 H HETATM 115 1HB1 AIB A 9 11.334 2.312 -2.720 1.00 20.00 H HETATM 116 2HB1 AIB A 9 10.335 0.873 -2.825 1.00 20.00 H HETATM 117 3HB1 AIB A 9 12.070 0.721 -3.036 1.00 20.00 H HETATM 118 1HB2 AIB A 9 11.975 2.192 0.733 1.00 20.00 H HETATM 119 2HB2 AIB A 9 11.603 3.153 -0.686 1.00 20.00 H HETATM 120 3HB2 AIB A 9 13.140 2.312 -0.608 1.00 20.00 H HETATM 121 N AIB A 10 11.917 -1.368 -0.573 1.00 20.00 N HETATM 122 CA AIB A 10 12.754 -2.562 -0.389 1.00 20.00 C HETATM 123 C AIB A 10 13.883 -2.620 -1.439 1.00 20.00 C HETATM 124 O1 AIB A 10 15.036 -2.855 -1.078 1.00 20.00 O HETATM 125 CB1 AIB A 10 13.422 -2.537 0.985 1.00 20.00 C HETATM 126 CB2 AIB A 10 11.914 -3.828 -0.560 1.00 20.00 C HETATM 127 1HN AIB A 10 10.941 -1.499 -0.502 1.00 20.00 H HETATM 128 1HB1 AIB A 10 13.461 -3.543 1.387 1.00 20.00 H HETATM 129 2HB1 AIB A 10 12.859 -1.917 1.659 1.00 20.00 H HETATM 130 3HB1 AIB A 10 14.423 -2.129 0.892 1.00 20.00 H HETATM 131 1HB2 AIB A 10 11.488 -4.111 0.397 1.00 20.00 H HETATM 132 2HB2 AIB A 10 12.526 -4.635 -0.917 1.00 20.00 H HETATM 133 3HB2 AIB A 10 11.126 -3.642 -1.282 1.00 20.00 H HETATM 134 N HYP A 11 13.576 -2.409 -2.754 1.00 20.00 N HETATM 135 CA HYP A 11 14.648 -2.464 -3.761 1.00 20.00 C HETATM 136 C HYP A 11 15.588 -1.266 -3.669 1.00 20.00 C HETATM 137 O HYP A 11 16.635 -1.235 -4.314 1.00 20.00 O HETATM 138 CB HYP A 11 13.915 -2.459 -5.114 1.00 20.00 C HETATM 139 CG HYP A 11 12.461 -2.779 -4.794 1.00 20.00 C HETATM 140 CD HYP A 11 12.283 -2.146 -3.435 1.00 20.00 C HETATM 141 OD HYP A 11 12.265 -4.176 -4.653 1.00 20.00 O HETATM 142 HA HYP A 11 15.224 -3.372 -3.670 1.00 20.00 H HETATM 143 1HB HYP A 11 14.348 -3.207 -5.760 1.00 20.00 H HETATM 144 2HB HYP A 11 14.010 -1.486 -5.572 1.00 20.00 H HETATM 145 1HD HYP A 11 12.109 -1.086 -3.533 1.00 20.00 H HETATM 146 2HD HYP A 11 11.468 -2.616 -2.904 1.00 20.00 H HETATM 147 HOD HYP A 11 11.456 -4.427 -5.103 1.00 20.00 H HETATM 148 HG HYP A 11 11.838 -2.251 -5.502 1.00 20.00 H ATOM 149 N GLN A 12 15.204 -0.281 -2.863 1.00 20.00 N ATOM 150 CA GLN A 12 16.010 0.922 -2.689 1.00 20.00 C ATOM 151 C GLN A 12 16.784 0.881 -1.373 1.00 20.00 C ATOM 152 O GLN A 12 17.197 1.937 -0.868 1.00 20.00 O ATOM 153 CB GLN A 12 15.118 2.166 -2.730 1.00 20.00 C ATOM 154 CG GLN A 12 14.586 2.492 -4.119 1.00 20.00 C ATOM 155 CD GLN A 12 15.683 2.888 -5.088 1.00 20.00 C ATOM 156 OE1 GLN A 12 16.867 2.851 -4.753 1.00 20.00 O ATOM 157 NE2 GLN A 12 15.292 3.269 -6.298 1.00 20.00 N ATOM 158 H GLN A 12 14.357 -0.364 -2.377 1.00 20.00 H ATOM 159 HA GLN A 12 16.715 0.969 -3.505 1.00 20.00 H ATOM 160 1HB GLN A 12 14.273 2.011 -2.074 1.00 20.00 H ATOM 161 2HB GLN A 12 15.686 3.014 -2.377 1.00 20.00 H ATOM 162 1HG GLN A 12 14.078 1.624 -4.510 1.00 20.00 H ATOM 163 2HG GLN A 12 13.887 3.311 -4.039 1.00 20.00 H ATOM 164 1HE2 GLN A 12 14.333 3.275 -6.493 1.00 20.00 H ATOM 165 2HE2 GLN A 12 15.980 3.530 -6.945 1.00 20.00 H HETATM 166 N DIV A 13 16.961 -0.352 -0.845 1.00 20.00 N HETATM 167 CA DIV A 13 17.687 -0.567 0.424 1.00 20.00 C HETATM 168 CB1 DIV A 13 16.823 -0.454 1.651 1.00 20.00 C HETATM 169 CG1 DIV A 13 16.133 0.896 1.767 1.00 20.00 C HETATM 170 CB2 DIV A 13 18.014 -2.029 0.710 1.00 20.00 C HETATM 171 C DIV A 13 18.951 0.325 0.487 1.00 20.00 C HETATM 172 O DIV A 13 19.145 0.985 1.504 1.00 20.00 O HETATM 173 1HN DIV A 13 16.598 -1.129 -1.315 1.00 20.00 H HETATM 174 1HB1 DIV A 13 17.429 -0.590 2.534 1.00 20.00 H HETATM 175 2HB1 DIV A 13 16.054 -1.213 1.630 1.00 20.00 H HETATM 176 1HG1 DIV A 13 15.493 1.055 0.910 1.00 20.00 H HETATM 177 2HG1 DIV A 13 16.874 1.684 1.815 1.00 20.00 H HETATM 178 3HG1 DIV A 13 15.535 0.914 2.666 1.00 20.00 H HETATM 179 1HB2 DIV A 13 17.105 -2.584 0.896 1.00 20.00 H HETATM 180 2HB2 DIV A 13 18.657 -2.098 1.575 1.00 20.00 H HETATM 181 3HB2 DIV A 13 18.518 -2.463 -0.139 1.00 20.00 H HETATM 182 N HYP A 14 19.807 0.357 -0.596 1.00 20.00 N HETATM 183 CA HYP A 14 21.011 1.195 -0.600 1.00 20.00 C HETATM 184 C HYP A 14 21.207 2.068 0.650 1.00 20.00 C HETATM 185 O HYP A 14 22.203 1.869 1.362 1.00 20.00 O HETATM 186 CB HYP A 14 22.096 0.121 -0.670 1.00 20.00 C HETATM 187 CG HYP A 14 21.558 -0.888 -1.685 1.00 20.00 C HETATM 188 CD HYP A 14 20.044 -0.703 -1.617 1.00 20.00 C HETATM 189 OD HYP A 14 21.846 -2.216 -1.279 1.00 20.00 O HETATM 190 HA HYP A 14 21.065 1.814 -1.501 1.00 20.00 H HETATM 191 1HB HYP A 14 22.236 -0.337 0.310 1.00 20.00 H HETATM 192 2HB HYP A 14 23.023 0.562 -1.004 1.00 20.00 H HETATM 193 1HD HYP A 14 19.669 -0.389 -2.580 1.00 20.00 H HETATM 194 2HD HYP A 14 19.578 -1.627 -1.324 1.00 20.00 H HETATM 195 HOD HYP A 14 22.314 -2.687 -1.974 1.00 20.00 H HETATM 196 HG HYP A 14 21.893 -0.581 -2.664 1.00 20.00 H HETATM 197 N AIB A 15 20.252 3.021 0.894 1.00 20.00 N HETATM 198 CA AIB A 15 20.315 3.929 2.052 1.00 20.00 C HETATM 199 C AIB A 15 21.715 3.920 2.702 1.00 20.00 C HETATM 200 O1 AIB A 15 22.504 4.831 2.455 1.00 20.00 O HETATM 201 CB1 AIB A 15 20.049 5.364 1.590 1.00 20.00 C HETATM 202 CB2 AIB A 15 19.310 3.508 3.123 1.00 20.00 C HETATM 203 1HN AIB A 15 19.483 3.123 0.292 1.00 20.00 H HETATM 204 1HB1 AIB A 15 20.167 6.043 2.428 1.00 20.00 H HETATM 205 2HB1 AIB A 15 19.046 5.453 1.215 1.00 20.00 H HETATM 206 3HB1 AIB A 15 20.740 5.623 0.796 1.00 20.00 H HETATM 207 1HB2 AIB A 15 19.684 3.793 4.101 1.00 20.00 H HETATM 208 2HB2 AIB A 15 19.172 2.443 3.104 1.00 20.00 H HETATM 209 3HB2 AIB A 15 18.356 3.987 2.931 1.00 20.00 H ATOM 210 N PRO A 16 22.048 2.894 3.548 1.00 20.00 N ATOM 211 CA PRO A 16 23.380 2.890 4.171 1.00 20.00 C ATOM 212 C PRO A 16 24.477 3.363 3.218 1.00 20.00 C ATOM 213 O PRO A 16 25.437 4.011 3.636 1.00 20.00 O ATOM 214 CB PRO A 16 23.605 1.427 4.544 1.00 20.00 C ATOM 215 CG PRO A 16 22.249 0.906 4.842 1.00 20.00 C ATOM 216 CD PRO A 16 21.295 1.663 3.958 1.00 20.00 C ATOM 217 HA PRO A 16 23.398 3.497 5.062 1.00 20.00 H ATOM 218 1HB PRO A 16 24.058 0.905 3.712 1.00 20.00 H ATOM 219 2HB PRO A 16 24.249 1.367 5.411 1.00 20.00 H ATOM 220 1HG PRO A 16 22.204 -0.149 4.619 1.00 20.00 H ATOM 221 2HG PRO A 16 22.011 1.080 5.881 1.00 20.00 H ATOM 222 1HD PRO A 16 21.034 1.070 3.093 1.00 20.00 H ATOM 223 2HD PRO A 16 20.406 1.922 4.516 1.00 20.00 H HETATM 224 C PDH A 17 26.075 2.102 0.459 1.00 20.00 C HETATM 225 O PDH A 17 27.385 2.360 -0.020 1.00 20.00 O HETATM 226 CA PDH A 17 25.353 3.440 0.891 1.00 20.00 C HETATM 227 N PDH A 17 24.332 3.035 1.937 1.00 20.00 N HETATM 228 CB PDH A 17 25.018 4.526 -0.093 1.00 20.00 C HETATM 229 CG PDH A 17 25.425 5.916 0.330 1.00 20.00 C HETATM 230 CD1 PDH A 17 25.200 6.355 1.630 1.00 20.00 C HETATM 231 CD2 PDH A 17 26.038 6.779 -0.572 1.00 20.00 C HETATM 232 CE1 PDH A 17 25.578 7.630 2.023 1.00 20.00 C HETATM 233 CE2 PDH A 17 26.417 8.055 -0.186 1.00 20.00 C HETATM 234 CZ PDH A 17 26.186 8.481 1.114 1.00 20.00 C HETATM 235 H1 PDH A 17 25.507 1.626 -0.327 1.00 20.00 H HETATM 236 H2 PDH A 17 26.142 1.438 1.309 1.00 20.00 H HETATM 237 HO PDH A 17 27.387 3.174 -0.528 1.00 20.00 H HETATM 238 HA PDH A 17 25.993 4.045 1.278 1.00 20.00 H HETATM 239 1HB PDH A 17 23.949 4.531 -0.254 1.00 20.00 H HETATM 240 2HB PDH A 17 25.512 4.312 -1.029 1.00 20.00 H HETATM 241 HD1 PDH A 17 24.725 5.694 2.339 1.00 20.00 H HETATM 242 HD2 PDH A 17 26.217 6.446 -1.584 1.00 20.00 H HETATM 243 HE1 PDH A 17 25.397 7.961 3.036 1.00 20.00 H HETATM 244 HE2 PDH A 17 26.892 8.716 -0.896 1.00 20.00 H HETATM 245 HZ PDH A 17 26.482 9.474 1.418 1.00 20.00 H HETATM 246 HN PDH A 17 23.546 2.516 1.660 1.00 20.00 H TER 247 PDH A 17 ENDMDL MODEL 3 HETATM 1 C ACE A 1 1.466 4.852 0.594 1.00 20.00 C HETATM 2 O ACE A 1 0.506 4.864 1.365 1.00 20.00 O HETATM 3 CH3 ACE A 1 2.324 5.064 1.861 1.00 20.00 C HETATM 4 1H ACE A 1 3.371 5.047 1.603 1.00 20.00 H HETATM 5 2H ACE A 1 2.121 4.282 2.578 1.00 20.00 H HETATM 6 3H ACE A 1 2.085 6.022 2.306 1.00 20.00 H ATOM 7 N PHE A 2 1.904 3.712 0.025 1.00 20.00 N ATOM 8 CA PHE A 2 1.195 2.525 0.522 1.00 20.00 C ATOM 9 C PHE A 2 2.025 1.752 1.547 1.00 20.00 C ATOM 10 O PHE A 2 3.200 1.443 1.281 1.00 20.00 O ATOM 11 CB PHE A 2 0.826 1.605 -0.642 1.00 20.00 C ATOM 12 CG PHE A 2 -0.472 1.968 -1.305 1.00 20.00 C ATOM 13 CD1 PHE A 2 -1.523 1.065 -1.337 1.00 20.00 C ATOM 14 CD2 PHE A 2 -0.642 3.211 -1.894 1.00 20.00 C ATOM 15 CE1 PHE A 2 -2.718 1.394 -1.947 1.00 20.00 C ATOM 16 CE2 PHE A 2 -1.837 3.546 -2.505 1.00 20.00 C ATOM 17 CZ PHE A 2 -2.876 2.636 -2.531 1.00 20.00 C ATOM 18 H PHE A 2 2.801 3.479 0.353 1.00 20.00 H ATOM 19 HA PHE A 2 0.286 2.858 0.998 1.00 20.00 H ATOM 20 1HB PHE A 2 1.605 1.648 -1.390 1.00 20.00 H ATOM 21 2HB PHE A 2 0.742 0.591 -0.277 1.00 20.00 H ATOM 22 HD1 PHE A 2 -1.401 0.093 -0.881 1.00 20.00 H ATOM 23 HD2 PHE A 2 0.170 3.923 -1.875 1.00 20.00 H ATOM 24 HE1 PHE A 2 -3.530 0.681 -1.965 1.00 20.00 H ATOM 25 HE2 PHE A 2 -1.958 4.517 -2.960 1.00 20.00 H ATOM 26 HZ PHE A 2 -3.810 2.895 -3.007 1.00 20.00 H HETATM 27 N AIB A 3 1.388 1.451 2.701 1.00 20.00 N HETATM 28 CA AIB A 3 2.041 0.709 3.788 1.00 20.00 C HETATM 29 C AIB A 3 2.377 -0.731 3.354 1.00 20.00 C HETATM 30 O1 AIB A 3 1.895 -1.675 4.003 1.00 20.00 O HETATM 31 CB1 AIB A 3 1.110 0.598 4.993 1.00 20.00 C HETATM 32 CB2 AIB A 3 3.357 1.382 4.180 1.00 20.00 C HETATM 33 1HN AIB A 3 0.458 1.736 2.820 1.00 20.00 H HETATM 34 1HB1 AIB A 3 0.385 -0.189 4.816 1.00 20.00 H HETATM 35 2HB1 AIB A 3 0.588 1.523 5.142 1.00 20.00 H HETATM 36 3HB1 AIB A 3 1.695 0.380 5.880 1.00 20.00 H HETATM 37 1HB2 AIB A 3 3.162 2.148 4.922 1.00 20.00 H HETATM 38 2HB2 AIB A 3 3.808 1.841 3.320 1.00 20.00 H HETATM 39 3HB2 AIB A 3 4.038 0.637 4.576 1.00 20.00 H HETATM 40 N AIB A 4 3.196 -0.867 2.266 1.00 20.00 N HETATM 41 CA AIB A 4 3.595 -2.183 1.747 1.00 20.00 C HETATM 42 C AIB A 4 4.486 -2.045 0.496 1.00 20.00 C HETATM 43 O1 AIB A 4 5.295 -2.953 0.245 1.00 20.00 O HETATM 44 CB1 AIB A 4 4.398 -2.944 2.799 1.00 20.00 C HETATM 45 CB2 AIB A 4 2.358 -2.977 1.328 1.00 20.00 C HETATM 46 1HN AIB A 4 3.544 -0.073 1.798 1.00 20.00 H HETATM 47 1HB1 AIB A 4 3.982 -3.938 2.921 1.00 20.00 H HETATM 48 2HB1 AIB A 4 4.353 -2.433 3.741 1.00 20.00 H HETATM 49 3HB1 AIB A 4 5.435 -3.007 2.486 1.00 20.00 H HETATM 50 1HB2 AIB A 4 1.859 -2.465 0.513 1.00 20.00 H HETATM 51 2HB2 AIB A 4 1.675 -3.059 2.153 1.00 20.00 H HETATM 52 3HB2 AIB A 4 2.657 -3.974 1.022 1.00 20.00 H HETATM 53 N AIB A 5 4.312 -0.914 -0.262 1.00 20.00 N HETATM 54 CA AIB A 5 5.090 -0.655 -1.482 1.00 20.00 C HETATM 55 C AIB A 5 6.408 -1.458 -1.492 1.00 20.00 C HETATM 56 O1 AIB A 5 7.440 -0.910 -1.073 1.00 20.00 O HETATM 57 CB1 AIB A 5 4.300 -1.078 -2.720 1.00 20.00 C HETATM 58 CB2 AIB A 5 5.462 0.826 -1.556 1.00 20.00 C HETATM 59 1HN AIB A 5 3.648 -0.228 -0.015 1.00 20.00 H HETATM 60 1HB1 AIB A 5 4.990 -1.295 -3.530 1.00 20.00 H HETATM 61 2HB1 AIB A 5 3.644 -0.286 -3.029 1.00 20.00 H HETATM 62 3HB1 AIB A 5 3.705 -1.955 -2.487 1.00 20.00 H HETATM 63 1HB2 AIB A 5 5.911 1.132 -0.616 1.00 20.00 H HETATM 64 2HB2 AIB A 5 4.584 1.419 -1.726 1.00 20.00 H HETATM 65 3HB2 AIB A 5 6.154 0.984 -2.374 1.00 20.00 H HETATM 66 N DIV A 6 6.342 -2.738 -1.978 1.00 20.00 N HETATM 67 CA DIV A 6 7.529 -3.614 -2.054 1.00 20.00 C HETATM 68 CB1 DIV A 6 7.208 -5.086 -2.216 1.00 20.00 C HETATM 69 CG1 DIV A 6 6.009 -5.344 -3.115 1.00 20.00 C HETATM 70 CB2 DIV A 6 8.258 -3.529 -3.388 1.00 20.00 C HETATM 71 C DIV A 6 8.503 -3.307 -0.891 1.00 20.00 C HETATM 72 O DIV A 6 9.601 -2.796 -1.116 1.00 20.00 O HETATM 73 1HN DIV A 6 5.492 -3.119 -2.302 1.00 20.00 H HETATM 74 1HB1 DIV A 6 6.979 -5.508 -1.249 1.00 20.00 H HETATM 75 2HB1 DIV A 6 8.056 -5.616 -2.633 1.00 20.00 H HETATM 76 1HG1 DIV A 6 5.127 -4.906 -2.673 1.00 20.00 H HETATM 77 2HG1 DIV A 6 5.866 -6.409 -3.219 1.00 20.00 H HETATM 78 3HG1 DIV A 6 6.177 -4.911 -4.091 1.00 20.00 H HETATM 79 1HB2 DIV A 6 7.576 -3.746 -4.194 1.00 20.00 H HETATM 80 2HB2 DIV A 6 9.069 -4.243 -3.407 1.00 20.00 H HETATM 81 3HB2 DIV A 6 8.658 -2.535 -3.522 1.00 20.00 H ATOM 82 N GLY A 7 8.088 -3.631 0.350 1.00 20.00 N ATOM 83 CA GLY A 7 8.952 -3.381 1.491 1.00 20.00 C ATOM 84 C GLY A 7 9.022 -1.914 1.872 1.00 20.00 C ATOM 85 O GLY A 7 10.019 -1.468 2.440 1.00 20.00 O ATOM 86 H GLY A 7 7.204 -4.045 0.497 1.00 20.00 H ATOM 87 1HA GLY A 7 9.947 -3.727 1.254 1.00 20.00 H ATOM 88 2HA GLY A 7 8.582 -3.940 2.335 1.00 20.00 H ATOM 89 N LEU A 8 7.964 -1.164 1.566 1.00 20.00 N ATOM 90 CA LEU A 8 7.909 0.261 1.885 1.00 20.00 C ATOM 91 C LEU A 8 9.295 0.895 1.819 1.00 20.00 C ATOM 92 O LEU A 8 9.983 0.985 2.850 1.00 20.00 O ATOM 93 CB LEU A 8 7.299 0.480 3.274 1.00 20.00 C ATOM 94 CG LEU A 8 7.901 -0.363 4.401 1.00 20.00 C ATOM 95 CD1 LEU A 8 8.652 0.519 5.387 1.00 20.00 C ATOM 96 CD2 LEU A 8 6.812 -1.153 5.113 1.00 20.00 C ATOM 97 H LEU A 8 7.199 -1.579 1.116 1.00 20.00 H ATOM 98 HA LEU A 8 7.278 0.737 1.149 1.00 20.00 H ATOM 99 1HB LEU A 8 7.417 1.522 3.534 1.00 20.00 H ATOM 100 2HB LEU A 8 6.244 0.260 3.218 1.00 20.00 H ATOM 101 HG LEU A 8 8.605 -1.066 3.982 1.00 20.00 H ATOM 102 1HD1 LEU A 8 8.013 1.330 5.702 1.00 20.00 H ATOM 103 2HD1 LEU A 8 8.941 -0.066 6.247 1.00 20.00 H ATOM 104 3HD1 LEU A 8 9.535 0.920 4.911 1.00 20.00 H ATOM 105 1HD2 LEU A 8 5.874 -0.626 5.031 1.00 20.00 H ATOM 106 2HD2 LEU A 8 6.718 -2.128 4.657 1.00 20.00 H ATOM 107 3HD2 LEU A 8 7.071 -1.267 6.155 1.00 20.00 H HETATM 108 N AIB A 9 9.673 1.325 0.593 1.00 20.00 N HETATM 109 CA AIB A 9 10.976 1.959 0.352 1.00 20.00 C HETATM 110 C AIB A 9 12.132 0.966 0.586 1.00 20.00 C HETATM 111 O1 AIB A 9 13.295 1.401 0.601 1.00 20.00 O HETATM 112 CB1 AIB A 9 11.067 2.424 -1.102 1.00 20.00 C HETATM 113 CB2 AIB A 9 11.184 3.131 1.310 1.00 20.00 C HETATM 114 1HN AIB A 9 9.059 1.210 -0.162 1.00 20.00 H HETATM 115 1HB1 AIB A 9 11.612 3.360 -1.147 1.00 20.00 H HETATM 116 2HB1 AIB A 9 10.084 2.577 -1.503 1.00 20.00 H HETATM 117 3HB1 AIB A 9 11.571 1.665 -1.692 1.00 20.00 H HETATM 118 1HB2 AIB A 9 10.926 4.057 0.809 1.00 20.00 H HETATM 119 2HB2 AIB A 9 12.212 3.180 1.617 1.00 20.00 H HETATM 120 3HB2 AIB A 9 10.565 2.992 2.190 1.00 20.00 H HETATM 121 N AIB A 10 11.787 -0.348 0.765 1.00 20.00 N HETATM 122 CA AIB A 10 12.790 -1.396 0.998 1.00 20.00 C HETATM 123 C AIB A 10 13.945 -1.299 -0.018 1.00 20.00 C HETATM 124 O1 AIB A 10 15.110 -1.347 0.377 1.00 20.00 O HETATM 125 CB1 AIB A 10 13.393 -1.251 2.395 1.00 20.00 C HETATM 126 CB2 AIB A 10 12.156 -2.775 0.821 1.00 20.00 C HETATM 127 1HN AIB A 10 10.842 -0.637 0.745 1.00 20.00 H HETATM 128 1HB1 AIB A 10 14.375 -0.796 2.319 1.00 20.00 H HETATM 129 2HB1 AIB A 10 13.496 -2.216 2.855 1.00 20.00 H HETATM 130 3HB1 AIB A 10 12.741 -0.640 3.009 1.00 20.00 H HETATM 131 1HB2 AIB A 10 12.831 -3.413 0.264 1.00 20.00 H HETATM 132 2HB2 AIB A 10 11.233 -2.690 0.278 1.00 20.00 H HETATM 133 3HB2 AIB A 10 11.948 -3.204 1.796 1.00 20.00 H HETATM 134 N HYP A 11 13.647 -1.166 -1.346 1.00 20.00 N HETATM 135 CA HYP A 11 14.742 -1.079 -2.331 1.00 20.00 C HETATM 136 C HYP A 11 15.464 0.267 -2.292 1.00 20.00 C HETATM 137 O HYP A 11 16.509 0.436 -2.920 1.00 20.00 O HETATM 138 CB HYP A 11 14.054 -1.266 -3.694 1.00 20.00 C HETATM 139 CG HYP A 11 12.683 -1.853 -3.383 1.00 20.00 C HETATM 140 CD HYP A 11 12.349 -1.196 -2.066 1.00 20.00 C HETATM 141 OD HYP A 11 12.763 -3.252 -3.164 1.00 20.00 O HETATM 142 HA HYP A 11 15.462 -1.869 -2.183 1.00 20.00 H HETATM 143 1HB HYP A 11 14.641 -1.937 -4.304 1.00 20.00 H HETATM 144 2HB HYP A 11 13.968 -0.309 -4.187 1.00 20.00 H HETATM 145 1HD HYP A 11 11.978 -0.195 -2.229 1.00 20.00 H HETATM 146 2HD HYP A 11 11.622 -1.784 -1.524 1.00 20.00 H HETATM 147 HOD HYP A 11 12.173 -3.694 -3.780 1.00 20.00 H HETATM 148 HG HYP A 11 11.990 -1.498 -4.130 1.00 20.00 H ATOM 149 N GLN A 12 14.902 1.223 -1.561 1.00 20.00 N ATOM 150 CA GLN A 12 15.503 2.553 -1.460 1.00 20.00 C ATOM 151 C GLN A 12 16.655 2.570 -0.458 1.00 20.00 C ATOM 152 O GLN A 12 17.716 3.148 -0.750 1.00 20.00 O ATOM 153 CB GLN A 12 14.453 3.597 -1.064 1.00 20.00 C ATOM 154 CG GLN A 12 13.889 4.370 -2.244 1.00 20.00 C ATOM 155 CD GLN A 12 14.965 4.799 -3.225 1.00 20.00 C ATOM 156 OE1 GLN A 12 16.136 4.918 -2.863 1.00 20.00 O ATOM 157 NE2 GLN A 12 14.574 5.038 -4.471 1.00 20.00 N ATOM 158 H GLN A 12 14.066 1.035 -1.087 1.00 20.00 H ATOM 159 HA GLN A 12 15.895 2.805 -2.433 1.00 20.00 H ATOM 160 1HB GLN A 12 13.634 3.105 -0.561 1.00 20.00 H ATOM 161 2HB GLN A 12 14.906 4.304 -0.384 1.00 20.00 H ATOM 162 1HG GLN A 12 13.178 3.743 -2.762 1.00 20.00 H ATOM 163 2HG GLN A 12 13.387 5.253 -1.873 1.00 20.00 H ATOM 164 1HE2 GLN A 12 13.625 4.926 -4.689 1.00 20.00 H ATOM 165 2HE2 GLN A 12 15.251 5.314 -5.123 1.00 20.00 H HETATM 166 N DIV A 13 16.417 1.938 0.712 1.00 20.00 N HETATM 167 CA DIV A 13 17.428 1.868 1.791 1.00 20.00 C HETATM 168 CB1 DIV A 13 17.293 2.960 2.818 1.00 20.00 C HETATM 169 CG1 DIV A 13 17.203 4.343 2.192 1.00 20.00 C HETATM 170 CB2 DIV A 13 17.198 0.771 2.820 1.00 20.00 C HETATM 171 C DIV A 13 18.851 1.731 1.192 1.00 20.00 C HETATM 172 O DIV A 13 19.766 2.342 1.737 1.00 20.00 O HETATM 173 1HN DIV A 13 15.545 1.513 0.854 1.00 20.00 H HETATM 174 1HB1 DIV A 13 18.152 2.952 3.473 1.00 20.00 H HETATM 175 2HB1 DIV A 13 16.399 2.812 3.407 1.00 20.00 H HETATM 176 1HG1 DIV A 13 18.085 4.537 1.593 1.00 20.00 H HETATM 177 2HG1 DIV A 13 17.136 5.084 2.975 1.00 20.00 H HETATM 178 3HG1 DIV A 13 16.322 4.405 1.567 1.00 20.00 H HETATM 179 1HB2 DIV A 13 16.207 0.865 3.238 1.00 20.00 H HETATM 180 2HB2 DIV A 13 17.928 0.855 3.612 1.00 20.00 H HETATM 181 3HB2 DIV A 13 17.295 -0.197 2.350 1.00 20.00 H HETATM 182 N HYP A 14 19.037 0.943 0.074 1.00 20.00 N HETATM 183 CA HYP A 14 20.357 0.787 -0.553 1.00 20.00 C HETATM 184 C HYP A 14 21.482 1.636 0.059 1.00 20.00 C HETATM 185 O HYP A 14 22.490 1.064 0.500 1.00 20.00 O HETATM 186 CB HYP A 14 20.611 -0.697 -0.298 1.00 20.00 C HETATM 187 CG HYP A 14 19.271 -1.358 -0.617 1.00 20.00 C HETATM 188 CD HYP A 14 18.250 -0.276 -0.291 1.00 20.00 C HETATM 189 OD HYP A 14 19.029 -2.453 0.250 1.00 20.00 O HETATM 190 HA HYP A 14 20.308 0.962 -1.631 1.00 20.00 H HETATM 191 1HB HYP A 14 20.894 -0.857 0.742 1.00 20.00 H HETATM 192 2HB HYP A 14 21.394 -1.051 -0.951 1.00 20.00 H HETATM 193 1HD HYP A 14 17.632 -0.080 -1.155 1.00 20.00 H HETATM 194 2HD HYP A 14 17.637 -0.597 0.537 1.00 20.00 H HETATM 195 HOD HYP A 14 19.788 -3.040 0.233 1.00 20.00 H HETATM 196 HG HYP A 14 19.240 -1.546 -1.680 1.00 20.00 H HETATM 197 N AIB A 15 21.280 2.988 0.065 1.00 20.00 N HETATM 198 CA AIB A 15 22.264 3.940 0.612 1.00 20.00 C HETATM 199 C AIB A 15 23.509 3.221 1.176 1.00 20.00 C HETATM 200 O1 AIB A 15 24.599 3.385 0.631 1.00 20.00 O HETATM 201 CB1 AIB A 15 22.752 4.880 -0.490 1.00 20.00 C HETATM 202 CB2 AIB A 15 21.647 4.730 1.766 1.00 20.00 C HETATM 203 1HN AIB A 15 20.452 3.365 -0.302 1.00 20.00 H HETATM 204 1HB1 AIB A 15 21.904 5.401 -0.920 1.00 20.00 H HETATM 205 2HB1 AIB A 15 23.242 4.320 -1.263 1.00 20.00 H HETATM 206 3HB1 AIB A 15 23.458 5.590 -0.070 1.00 20.00 H HETATM 207 1HB2 AIB A 15 21.362 5.716 1.416 1.00 20.00 H HETATM 208 2HB2 AIB A 15 22.358 4.838 2.562 1.00 20.00 H HETATM 209 3HB2 AIB A 15 20.780 4.199 2.144 1.00 20.00 H ATOM 210 N PRO A 16 23.377 2.436 2.289 1.00 20.00 N ATOM 211 CA PRO A 16 24.569 1.772 2.846 1.00 20.00 C ATOM 212 C PRO A 16 25.518 1.248 1.769 1.00 20.00 C ATOM 213 O PRO A 16 26.736 1.276 1.943 1.00 20.00 O ATOM 214 CB PRO A 16 23.996 0.615 3.660 1.00 20.00 C ATOM 215 CG PRO A 16 22.690 1.125 4.140 1.00 20.00 C ATOM 216 CD PRO A 16 22.155 1.983 3.027 1.00 20.00 C ATOM 217 HA PRO A 16 25.113 2.437 3.501 1.00 20.00 H ATOM 218 1HB PRO A 16 23.879 -0.253 3.029 1.00 20.00 H ATOM 219 2HB PRO A 16 24.657 0.385 4.485 1.00 20.00 H ATOM 220 1HG PRO A 16 22.021 0.299 4.332 1.00 20.00 H ATOM 221 2HG PRO A 16 22.830 1.714 5.033 1.00 20.00 H ATOM 222 1HD PRO A 16 21.514 1.401 2.385 1.00 20.00 H ATOM 223 2HD PRO A 16 21.617 2.829 3.431 1.00 20.00 H HETATM 224 C PDH A 17 24.952 -0.942 -1.123 1.00 20.00 C HETATM 225 O PDH A 17 25.455 -1.291 -2.400 1.00 20.00 O HETATM 226 CA PDH A 17 25.806 0.219 -0.473 1.00 20.00 C HETATM 227 N PDH A 17 24.961 0.769 0.660 1.00 20.00 N HETATM 228 CB PDH A 17 26.655 1.154 -1.297 1.00 20.00 C HETATM 229 CG PDH A 17 28.147 1.038 -1.076 1.00 20.00 C HETATM 230 CD1 PDH A 17 28.891 0.082 -1.757 1.00 20.00 C HETATM 231 CD2 PDH A 17 28.799 1.887 -0.188 1.00 20.00 C HETATM 232 CE1 PDH A 17 30.260 -0.025 -1.559 1.00 20.00 C HETATM 233 CE2 PDH A 17 30.167 1.784 0.015 1.00 20.00 C HETATM 234 CZ PDH A 17 30.897 0.828 -0.670 1.00 20.00 C HETATM 235 H1 PDH A 17 23.927 -0.618 -1.231 1.00 20.00 H HETATM 236 H2 PDH A 17 24.987 -1.813 -0.485 1.00 20.00 H HETATM 237 HO PDH A 17 25.101 -0.691 -3.060 1.00 20.00 H HETATM 238 HA PDH A 17 26.622 -0.140 -0.117 1.00 20.00 H HETATM 239 1HB PDH A 17 26.368 2.171 -1.073 1.00 20.00 H HETATM 240 2HB PDH A 17 26.468 0.962 -2.342 1.00 20.00 H HETATM 241 HD1 PDH A 17 28.396 -0.582 -2.450 1.00 20.00 H HETATM 242 HD2 PDH A 17 28.230 2.634 0.347 1.00 20.00 H HETATM 243 HE1 PDH A 17 30.828 -0.772 -2.094 1.00 20.00 H HETATM 244 HE2 PDH A 17 30.662 2.450 0.707 1.00 20.00 H HETATM 245 HZ PDH A 17 31.962 0.746 -0.514 1.00 20.00 H HETATM 246 HN PDH A 17 23.985 0.770 0.573 1.00 20.00 H TER 247 PDH A 17 ENDMDL MODEL 4 HETATM 1 C ACE A 1 2.062 4.617 0.403 1.00 20.00 C HETATM 2 O ACE A 1 0.902 5.022 0.486 1.00 20.00 O HETATM 3 CH3 ACE A 1 2.275 5.337 1.756 1.00 20.00 C HETATM 4 1H ACE A 1 1.573 4.965 2.486 1.00 20.00 H HETATM 5 2H ACE A 1 2.122 6.402 1.631 1.00 20.00 H HETATM 6 3H ACE A 1 3.282 5.166 2.110 1.00 20.00 H ATOM 7 N PHE A 2 2.372 3.324 0.614 1.00 20.00 N ATOM 8 CA PHE A 2 1.211 2.546 1.053 1.00 20.00 C ATOM 9 C PHE A 2 1.614 1.470 2.058 1.00 20.00 C ATOM 10 O PHE A 2 2.809 1.148 2.173 1.00 20.00 O ATOM 11 CB PHE A 2 0.536 1.884 -0.152 1.00 20.00 C ATOM 12 CG PHE A 2 -0.870 2.353 -0.440 1.00 20.00 C ATOM 13 CD1 PHE A 2 -1.437 2.117 -1.683 1.00 20.00 C ATOM 14 CD2 PHE A 2 -1.627 3.019 0.517 1.00 20.00 C ATOM 15 CE1 PHE A 2 -2.722 2.534 -1.970 1.00 20.00 C ATOM 16 CE2 PHE A 2 -2.914 3.438 0.234 1.00 20.00 C ATOM 17 CZ PHE A 2 -3.461 3.196 -1.011 1.00 20.00 C ATOM 18 H PHE A 2 2.914 3.220 1.424 1.00 20.00 H ATOM 19 HA PHE A 2 0.521 3.224 1.522 1.00 20.00 H ATOM 20 1HB PHE A 2 1.129 2.078 -1.032 1.00 20.00 H ATOM 21 2HB PHE A 2 0.499 0.816 0.015 1.00 20.00 H ATOM 22 HD1 PHE A 2 -0.860 1.598 -2.436 1.00 20.00 H ATOM 23 HD2 PHE A 2 -1.210 3.208 1.492 1.00 20.00 H ATOM 24 HE1 PHE A 2 -3.147 2.341 -2.944 1.00 20.00 H ATOM 25 HE2 PHE A 2 -3.491 3.957 0.984 1.00 20.00 H ATOM 26 HZ PHE A 2 -4.465 3.522 -1.234 1.00 20.00 H HETATM 27 N AIB A 3 0.596 0.925 2.762 1.00 20.00 N HETATM 28 CA AIB A 3 0.810 -0.132 3.760 1.00 20.00 C HETATM 29 C AIB A 3 1.348 -1.416 3.101 1.00 20.00 C HETATM 30 O1 AIB A 3 0.638 -2.436 3.121 1.00 20.00 O HETATM 31 CB1 AIB A 3 -0.510 -0.500 4.434 1.00 20.00 C HETATM 32 CB2 AIB A 3 1.842 0.311 4.796 1.00 20.00 C HETATM 33 1HN AIB A 3 -0.318 1.237 2.597 1.00 20.00 H HETATM 34 1HB1 AIB A 3 -0.308 -0.902 5.421 1.00 20.00 H HETATM 35 2HB1 AIB A 3 -1.024 -1.244 3.857 1.00 20.00 H HETATM 36 3HB1 AIB A 3 -1.135 0.383 4.505 1.00 20.00 H HETATM 37 1HB2 AIB A 3 2.407 1.152 4.407 1.00 20.00 H HETATM 38 2HB2 AIB A 3 2.522 -0.494 5.007 1.00 20.00 H HETATM 39 3HB2 AIB A 3 1.336 0.588 5.714 1.00 20.00 H HETATM 40 N AIB A 4 2.589 -1.335 2.529 1.00 20.00 N HETATM 41 CA AIB A 4 3.224 -2.479 1.860 1.00 20.00 C HETATM 42 C AIB A 4 4.032 -2.026 0.626 1.00 20.00 C HETATM 43 O1 AIB A 4 4.742 -2.863 0.046 1.00 20.00 O HETATM 44 CB1 AIB A 4 4.201 -3.170 2.812 1.00 20.00 C HETATM 45 CB2 AIB A 4 2.172 -3.466 1.353 1.00 20.00 C HETATM 46 1HN AIB A 4 3.098 -0.493 2.548 1.00 20.00 H HETATM 47 1HB1 AIB A 4 5.204 -2.798 2.631 1.00 20.00 H HETATM 48 2HB1 AIB A 4 4.191 -4.231 2.649 1.00 20.00 H HETATM 49 3HB1 AIB A 4 3.905 -2.972 3.837 1.00 20.00 H HETATM 50 1HB2 AIB A 4 1.747 -4.004 2.194 1.00 20.00 H HETATM 51 2HB2 AIB A 4 2.622 -4.174 0.684 1.00 20.00 H HETATM 52 3HB2 AIB A 4 1.397 -2.926 0.820 1.00 20.00 H HETATM 53 N AIB A 5 3.901 -0.709 0.257 1.00 20.00 N HETATM 54 CA AIB A 5 4.612 -0.143 -0.899 1.00 20.00 C HETATM 55 C AIB A 5 5.890 -0.942 -1.217 1.00 20.00 C HETATM 56 O1 AIB A 5 6.971 -0.541 -0.757 1.00 20.00 O HETATM 57 CB1 AIB A 5 3.738 -0.200 -2.152 1.00 20.00 C HETATM 58 CB2 AIB A 5 5.050 1.291 -0.605 1.00 20.00 C HETATM 59 1HN AIB A 5 3.319 -0.093 0.759 1.00 20.00 H HETATM 60 1HB1 AIB A 5 3.078 -1.059 -2.092 1.00 20.00 H HETATM 61 2HB1 AIB A 5 4.353 -0.297 -3.027 1.00 20.00 H HETATM 62 3HB1 AIB A 5 3.161 0.715 -2.230 1.00 20.00 H HETATM 63 1HB2 AIB A 5 5.639 1.666 -1.437 1.00 20.00 H HETATM 64 2HB2 AIB A 5 5.650 1.320 0.283 1.00 20.00 H HETATM 65 3HB2 AIB A 5 4.174 1.913 -0.455 1.00 20.00 H HETATM 66 N DIV A 6 5.741 -2.053 -2.003 1.00 20.00 N HETATM 67 CA DIV A 6 6.886 -2.903 -2.383 1.00 20.00 C HETATM 68 CB1 DIV A 6 6.491 -4.292 -2.808 1.00 20.00 C HETATM 69 CG1 DIV A 6 7.687 -5.222 -2.943 1.00 20.00 C HETATM 70 CB2 DIV A 6 7.505 -2.520 -3.725 1.00 20.00 C HETATM 71 C DIV A 6 7.972 -2.857 -1.282 1.00 20.00 C HETATM 72 O DIV A 6 9.103 -2.448 -1.542 1.00 20.00 O HETATM 73 1HN DIV A 6 4.853 -2.322 -2.343 1.00 20.00 H HETATM 74 1HB1 DIV A 6 5.987 -4.258 -3.763 1.00 20.00 H HETATM 75 2HB1 DIV A 6 5.824 -4.719 -2.075 1.00 20.00 H HETATM 76 1HG1 DIV A 6 8.405 -4.807 -3.638 1.00 20.00 H HETATM 77 2HG1 DIV A 6 7.353 -6.181 -3.311 1.00 20.00 H HETATM 78 3HG1 DIV A 6 8.155 -5.354 -1.977 1.00 20.00 H HETATM 79 1HB2 DIV A 6 6.961 -1.687 -4.145 1.00 20.00 H HETATM 80 2HB2 DIV A 6 7.476 -3.344 -4.425 1.00 20.00 H HETATM 81 3HB2 DIV A 6 8.532 -2.225 -3.574 1.00 20.00 H ATOM 82 N GLY A 7 7.609 -3.279 -0.051 1.00 20.00 N ATOM 83 CA GLY A 7 8.572 -3.264 1.036 1.00 20.00 C ATOM 84 C GLY A 7 8.807 -1.871 1.603 1.00 20.00 C ATOM 85 O GLY A 7 9.904 -1.572 2.076 1.00 20.00 O ATOM 86 H GLY A 7 6.692 -3.603 0.123 1.00 20.00 H ATOM 87 1HA GLY A 7 9.511 -3.651 0.668 1.00 20.00 H ATOM 88 2HA GLY A 7 8.219 -3.910 1.828 1.00 20.00 H ATOM 89 N LEU A 8 7.785 -1.013 1.554 1.00 20.00 N ATOM 90 CA LEU A 8 7.905 0.351 2.061 1.00 20.00 C ATOM 91 C LEU A 8 9.299 0.904 1.793 1.00 20.00 C ATOM 92 O LEU A 8 10.060 1.163 2.742 1.00 20.00 O ATOM 93 CB LEU A 8 7.601 0.399 3.560 1.00 20.00 C ATOM 94 CG LEU A 8 7.989 -0.858 4.339 1.00 20.00 C ATOM 95 CD1 LEU A 8 8.362 -0.504 5.770 1.00 20.00 C ATOM 96 CD2 LEU A 8 6.854 -1.870 4.315 1.00 20.00 C ATOM 97 H LEU A 8 6.934 -1.300 1.162 1.00 20.00 H ATOM 98 HA LEU A 8 7.184 0.962 1.539 1.00 20.00 H ATOM 99 1HB LEU A 8 8.128 1.239 3.986 1.00 20.00 H ATOM 100 2HB LEU A 8 6.542 0.560 3.685 1.00 20.00 H ATOM 101 HG LEU A 8 8.851 -1.310 3.874 1.00 20.00 H ATOM 102 1HD1 LEU A 8 9.076 0.307 5.765 1.00 20.00 H ATOM 103 2HD1 LEU A 8 7.477 -0.202 6.310 1.00 20.00 H ATOM 104 3HD1 LEU A 8 8.800 -1.366 6.250 1.00 20.00 H ATOM 105 1HD2 LEU A 8 5.945 -1.382 3.995 1.00 20.00 H ATOM 106 2HD2 LEU A 8 7.096 -2.666 3.629 1.00 20.00 H ATOM 107 3HD2 LEU A 8 6.713 -2.275 5.306 1.00 20.00 H HETATM 108 N AIB A 9 9.603 1.066 0.487 1.00 20.00 N HETATM 109 CA AIB A 9 10.903 1.581 0.040 1.00 20.00 C HETATM 110 C AIB A 9 12.046 0.623 0.436 1.00 20.00 C HETATM 111 O1 AIB A 9 13.178 1.094 0.631 1.00 20.00 O HETATM 112 CB1 AIB A 9 10.901 1.681 -1.485 1.00 20.00 C HETATM 113 CB2 AIB A 9 11.198 2.940 0.674 1.00 20.00 C HETATM 114 1HN AIB A 9 8.936 0.828 -0.191 1.00 20.00 H HETATM 115 1HB1 AIB A 9 9.895 1.505 -1.855 1.00 20.00 H HETATM 116 2HB1 AIB A 9 11.557 0.943 -1.906 1.00 20.00 H HETATM 117 3HB1 AIB A 9 11.245 2.665 -1.782 1.00 20.00 H HETATM 118 1HB2 AIB A 9 11.968 2.826 1.429 1.00 20.00 H HETATM 119 2HB2 AIB A 9 10.313 3.333 1.137 1.00 20.00 H HETATM 120 3HB2 AIB A 9 11.526 3.632 -0.095 1.00 20.00 H HETATM 121 N AIB A 10 11.721 -0.704 0.550 1.00 20.00 N HETATM 122 CA AIB A 10 12.710 -1.726 0.920 1.00 20.00 C HETATM 123 C AIB A 10 13.977 -1.619 0.049 1.00 20.00 C HETATM 124 O1 AIB A 10 15.083 -1.583 0.588 1.00 20.00 O HETATM 125 CB1 AIB A 10 13.144 -1.569 2.376 1.00 20.00 C HETATM 126 CB2 AIB A 10 12.129 -3.118 0.674 1.00 20.00 C HETATM 127 1HN AIB A 10 10.801 -1.021 0.383 1.00 20.00 H HETATM 128 1HB1 AIB A 10 13.313 -2.550 2.809 1.00 20.00 H HETATM 129 2HB1 AIB A 10 12.379 -1.071 2.940 1.00 20.00 H HETATM 130 3HB1 AIB A 10 14.052 -0.976 2.421 1.00 20.00 H HETATM 131 1HB2 AIB A 10 11.878 -3.578 1.623 1.00 20.00 H HETATM 132 2HB2 AIB A 10 12.848 -3.734 0.170 1.00 20.00 H HETATM 133 3HB2 AIB A 10 11.243 -3.034 0.050 1.00 20.00 H HETATM 134 N HYP A 11 13.842 -1.578 -1.311 1.00 20.00 N HETATM 135 CA HYP A 11 15.040 -1.488 -2.151 1.00 20.00 C HETATM 136 C HYP A 11 15.510 -0.051 -2.363 1.00 20.00 C HETATM 137 O HYP A 11 16.003 0.293 -3.439 1.00 20.00 O HETATM 138 CB HYP A 11 14.617 -2.107 -3.497 1.00 20.00 C HETATM 139 CG HYP A 11 13.166 -2.560 -3.331 1.00 20.00 C HETATM 140 CD HYP A 11 12.665 -1.694 -2.197 1.00 20.00 C HETATM 141 OD HYP A 11 13.098 -3.910 -2.904 1.00 20.00 O HETATM 142 HA HYP A 11 15.852 -2.065 -1.732 1.00 20.00 H HETATM 143 1HB HYP A 11 15.262 -2.942 -3.723 1.00 20.00 H HETATM 144 2HB HYP A 11 14.705 -1.362 -4.274 1.00 20.00 H HETATM 145 1HD HYP A 11 12.365 -0.724 -2.568 1.00 20.00 H HETATM 146 2HD HYP A 11 11.843 -2.176 -1.690 1.00 20.00 H HETATM 147 HOD HYP A 11 13.110 -4.491 -3.668 1.00 20.00 H HETATM 148 HG HYP A 11 12.630 -2.289 -4.228 1.00 20.00 H ATOM 149 N GLN A 12 15.365 0.784 -1.338 1.00 20.00 N ATOM 150 CA GLN A 12 15.789 2.178 -1.427 1.00 20.00 C ATOM 151 C GLN A 12 17.036 2.417 -0.592 1.00 20.00 C ATOM 152 O GLN A 12 17.958 3.109 -1.057 1.00 20.00 O ATOM 153 CB GLN A 12 14.665 3.116 -0.980 1.00 20.00 C ATOM 154 CG GLN A 12 13.532 3.230 -1.988 1.00 20.00 C ATOM 155 CD GLN A 12 14.007 3.701 -3.349 1.00 20.00 C ATOM 156 OE1 GLN A 12 14.270 2.895 -4.242 1.00 20.00 O ATOM 157 NE2 GLN A 12 14.117 5.014 -3.513 1.00 20.00 N ATOM 158 H GLN A 12 14.970 0.455 -0.503 1.00 20.00 H ATOM 159 HA GLN A 12 16.034 2.388 -2.459 1.00 20.00 H ATOM 160 1HB GLN A 12 14.257 2.755 -0.051 1.00 20.00 H ATOM 161 2HB GLN A 12 15.077 4.103 -0.824 1.00 20.00 H ATOM 162 1HG GLN A 12 13.071 2.262 -2.101 1.00 20.00 H ATOM 163 2HG GLN A 12 12.803 3.934 -1.613 1.00 20.00 H ATOM 164 1HE2 GLN A 12 13.888 5.594 -2.758 1.00 20.00 H ATOM 165 2HE2 GLN A 12 14.420 5.348 -4.382 1.00 20.00 H HETATM 166 N DIV A 13 17.056 1.828 0.626 1.00 20.00 N HETATM 167 CA DIV A 13 18.208 1.960 1.537 1.00 20.00 C HETATM 168 CB1 DIV A 13 18.103 3.176 2.443 1.00 20.00 C HETATM 169 CG1 DIV A 13 16.699 3.430 2.974 1.00 20.00 C HETATM 170 CB2 DIV A 13 18.219 0.978 2.703 1.00 20.00 C HETATM 171 C DIV A 13 19.527 1.912 0.731 1.00 20.00 C HETATM 172 O DIV A 13 20.248 2.898 0.752 1.00 20.00 O HETATM 173 1HN DIV A 13 16.289 1.289 0.911 1.00 20.00 H HETATM 174 1HB1 DIV A 13 18.399 4.055 1.891 1.00 20.00 H HETATM 175 2HB1 DIV A 13 18.763 3.067 3.296 1.00 20.00 H HETATM 176 1HG1 DIV A 13 16.415 2.641 3.653 1.00 20.00 H HETATM 177 2HG1 DIV A 13 15.994 3.471 2.154 1.00 20.00 H HETATM 178 3HG1 DIV A 13 16.685 4.373 3.502 1.00 20.00 H HETATM 179 1HB2 DIV A 13 18.224 -0.032 2.332 1.00 20.00 H HETATM 180 2HB2 DIV A 13 17.342 1.122 3.311 1.00 20.00 H HETATM 181 3HB2 DIV A 13 19.100 1.138 3.309 1.00 20.00 H HETATM 182 N HYP A 14 19.823 0.781 -0.002 1.00 20.00 N HETATM 183 CA HYP A 14 21.046 0.662 -0.811 1.00 20.00 C HETATM 184 C HYP A 14 22.186 1.642 -0.460 1.00 20.00 C HETATM 185 O HYP A 14 23.243 1.181 0.001 1.00 20.00 O HETATM 186 CB HYP A 14 21.466 -0.766 -0.460 1.00 20.00 C HETATM 187 CG HYP A 14 20.160 -1.559 -0.469 1.00 20.00 C HETATM 188 CD HYP A 14 19.099 -0.516 -0.138 1.00 20.00 C HETATM 189 OD HYP A 14 20.150 -2.527 0.567 1.00 20.00 O HETATM 190 HA HYP A 14 20.823 0.709 -1.881 1.00 20.00 H HETATM 191 1HB HYP A 14 21.934 -0.788 0.524 1.00 20.00 H HETATM 192 2HB HYP A 14 22.158 -1.134 -1.201 1.00 20.00 H HETATM 193 1HD HYP A 14 18.376 -0.460 -0.937 1.00 20.00 H HETATM 194 2HD HYP A 14 18.608 -0.776 0.783 1.00 20.00 H HETATM 195 HOD HYP A 14 19.321 -3.013 0.543 1.00 20.00 H HETATM 196 HG HYP A 14 19.991 -1.905 -1.479 1.00 20.00 H HETATM 197 N AIB A 15 21.964 2.972 -0.688 1.00 20.00 N HETATM 198 CA AIB A 15 22.975 4.003 -0.401 1.00 20.00 C HETATM 199 C AIB A 15 23.995 3.523 0.655 1.00 20.00 C HETATM 200 O1 AIB A 15 25.194 3.513 0.373 1.00 20.00 O HETATM 201 CB1 AIB A 15 23.768 4.332 -1.666 1.00 20.00 C HETATM 202 CB2 AIB A 15 22.305 5.257 0.160 1.00 20.00 C HETATM 203 1HN AIB A 15 21.101 3.282 -1.055 1.00 20.00 H HETATM 204 1HB1 AIB A 15 23.081 4.525 -2.481 1.00 20.00 H HETATM 205 2HB1 AIB A 15 24.400 3.506 -1.933 1.00 20.00 H HETATM 206 3HB1 AIB A 15 24.391 5.202 -1.483 1.00 20.00 H HETATM 207 1HB2 AIB A 15 21.230 5.112 0.186 1.00 20.00 H HETATM 208 2HB2 AIB A 15 22.524 6.103 -0.463 1.00 20.00 H HETATM 209 3HB2 AIB A 15 22.684 5.452 1.158 1.00 20.00 H ATOM 210 N PRO A 16 23.552 3.145 1.895 1.00 20.00 N ATOM 211 CA PRO A 16 24.539 2.721 2.907 1.00 20.00 C ATOM 212 C PRO A 16 25.666 1.874 2.321 1.00 20.00 C ATOM 213 O PRO A 16 26.814 1.972 2.756 1.00 20.00 O ATOM 214 CB PRO A 16 23.722 1.898 3.902 1.00 20.00 C ATOM 215 CG PRO A 16 22.364 2.481 3.823 1.00 20.00 C ATOM 216 CD PRO A 16 22.172 2.836 2.379 1.00 20.00 C ATOM 217 HA PRO A 16 24.966 3.573 3.412 1.00 20.00 H ATOM 218 1HB PRO A 16 23.727 0.858 3.608 1.00 20.00 H ATOM 219 2HB PRO A 16 24.139 2.003 4.893 1.00 20.00 H ATOM 220 1HG PRO A 16 21.630 1.751 4.133 1.00 20.00 H ATOM 221 2HG PRO A 16 22.302 3.366 4.438 1.00 20.00 H ATOM 222 1HD PRO A 16 21.757 1.994 1.843 1.00 20.00 H ATOM 223 2HD PRO A 16 21.529 3.698 2.286 1.00 20.00 H HETATM 224 C PDH A 17 25.731 -1.302 0.672 1.00 20.00 C HETATM 225 O PDH A 17 26.468 -2.179 -0.162 1.00 20.00 O HETATM 226 CA PDH A 17 26.366 0.147 0.680 1.00 20.00 C HETATM 227 N PDH A 17 25.336 1.043 1.340 1.00 20.00 N HETATM 228 CB PDH A 17 27.193 0.672 -0.467 1.00 20.00 C HETATM 229 CG PDH A 17 28.591 1.120 -0.102 1.00 20.00 C HETATM 230 CD1 PDH A 17 29.599 0.183 0.101 1.00 20.00 C HETATM 231 CD2 PDH A 17 28.895 2.471 0.032 1.00 20.00 C HETATM 232 CE1 PDH A 17 30.883 0.586 0.432 1.00 20.00 C HETATM 233 CE2 PDH A 17 30.178 2.879 0.364 1.00 20.00 C HETATM 234 CZ PDH A 17 31.172 1.935 0.564 1.00 20.00 C HETATM 235 H1 PDH A 17 24.715 -1.247 0.304 1.00 20.00 H HETATM 236 H2 PDH A 17 25.728 -1.698 1.676 1.00 20.00 H HETATM 237 HO PDH A 17 27.139 -2.630 0.358 1.00 20.00 H HETATM 238 HA PDH A 17 27.169 0.144 1.203 1.00 20.00 H HETATM 239 1HB PDH A 17 26.681 1.518 -0.905 1.00 20.00 H HETATM 240 2HB PDH A 17 27.284 -0.104 -1.211 1.00 20.00 H HETATM 241 HD1 PDH A 17 29.373 -0.868 -0.001 1.00 20.00 H HETATM 242 HD2 PDH A 17 28.118 3.207 -0.124 1.00 20.00 H HETATM 243 HE1 PDH A 17 31.657 -0.151 0.587 1.00 20.00 H HETATM 244 HE2 PDH A 17 30.402 3.930 0.467 1.00 20.00 H HETATM 245 HZ PDH A 17 32.173 2.250 0.822 1.00 20.00 H HETATM 246 HN PDH A 17 24.404 1.006 1.036 1.00 20.00 H TER 247 PDH A 17 ENDMDL MODEL 5 HETATM 1 C ACE A 1 2.010 4.939 1.586 1.00 20.00 C HETATM 2 O ACE A 1 1.903 5.222 2.779 1.00 20.00 O HETATM 3 CH3 ACE A 1 3.487 4.633 1.922 1.00 20.00 C HETATM 4 1H ACE A 1 3.541 3.902 2.714 1.00 20.00 H HETATM 5 2H ACE A 1 3.983 5.541 2.245 1.00 20.00 H HETATM 6 3H ACE A 1 3.991 4.249 1.048 1.00 20.00 H ATOM 7 N PHE A 2 1.491 3.801 1.084 1.00 20.00 N ATOM 8 CA PHE A 2 0.924 2.944 2.130 1.00 20.00 C ATOM 9 C PHE A 2 1.994 2.040 2.738 1.00 20.00 C ATOM 10 O PHE A 2 2.906 1.598 2.019 1.00 20.00 O ATOM 11 CB PHE A 2 -0.218 2.092 1.560 1.00 20.00 C ATOM 12 CG PHE A 2 -1.482 2.107 2.381 1.00 20.00 C ATOM 13 CD1 PHE A 2 -1.477 2.528 3.703 1.00 20.00 C ATOM 14 CD2 PHE A 2 -2.681 1.694 1.820 1.00 20.00 C ATOM 15 CE1 PHE A 2 -2.643 2.536 4.446 1.00 20.00 C ATOM 16 CE2 PHE A 2 -3.849 1.701 2.559 1.00 20.00 C ATOM 17 CZ PHE A 2 -3.829 2.122 3.873 1.00 20.00 C ATOM 18 H PHE A 2 2.203 3.194 0.785 1.00 20.00 H ATOM 19 HA PHE A 2 0.536 3.584 2.902 1.00 20.00 H ATOM 20 1HB PHE A 2 -0.471 2.452 0.574 1.00 20.00 H ATOM 21 2HB PHE A 2 0.114 1.066 1.485 1.00 20.00 H ATOM 22 HD1 PHE A 2 -0.555 2.852 4.153 1.00 20.00 H ATOM 23 HD2 PHE A 2 -2.699 1.364 0.792 1.00 20.00 H ATOM 24 HE1 PHE A 2 -2.624 2.867 5.474 1.00 20.00 H ATOM 25 HE2 PHE A 2 -4.775 1.376 2.109 1.00 20.00 H ATOM 26 HZ PHE A 2 -4.741 2.129 4.454 1.00 20.00 H HETATM 27 N AIB A 3 1.854 1.784 4.060 1.00 20.00 N HETATM 28 CA AIB A 3 2.795 0.930 4.796 1.00 20.00 C HETATM 29 C AIB A 3 2.804 -0.503 4.228 1.00 20.00 C HETATM 30 O1 AIB A 3 2.333 -1.419 4.921 1.00 20.00 O HETATM 31 CB1 AIB A 3 2.392 0.828 6.265 1.00 20.00 C HETATM 32 CB2 AIB A 3 4.215 1.481 4.659 1.00 20.00 C HETATM 33 1HN AIB A 3 1.102 2.177 4.546 1.00 20.00 H HETATM 34 1HB1 AIB A 3 1.613 0.082 6.371 1.00 20.00 H HETATM 35 2HB1 AIB A 3 2.018 1.772 6.611 1.00 20.00 H HETATM 36 3HB1 AIB A 3 3.259 0.557 6.857 1.00 20.00 H HETATM 37 1HB2 AIB A 3 4.745 1.347 5.596 1.00 20.00 H HETATM 38 2HB2 AIB A 3 4.184 2.529 4.427 1.00 20.00 H HETATM 39 3HB2 AIB A 3 4.727 0.961 3.857 1.00 20.00 H HETATM 40 N AIB A 4 3.334 -0.660 2.976 1.00 20.00 N HETATM 41 CA AIB A 4 3.398 -1.969 2.311 1.00 20.00 C HETATM 42 C AIB A 4 3.868 -1.834 0.850 1.00 20.00 C HETATM 43 O1 AIB A 4 4.437 -2.802 0.321 1.00 20.00 O HETATM 44 CB1 AIB A 4 4.394 -2.883 3.026 1.00 20.00 C HETATM 45 CB2 AIB A 4 2.009 -2.605 2.275 1.00 20.00 C HETATM 46 1HN AIB A 4 3.688 0.113 2.477 1.00 20.00 H HETATM 47 1HB1 AIB A 4 5.298 -2.326 3.247 1.00 20.00 H HETATM 48 2HB1 AIB A 4 4.648 -3.717 2.399 1.00 20.00 H HETATM 49 3HB1 AIB A 4 3.948 -3.258 3.941 1.00 20.00 H HETATM 50 1HB2 AIB A 4 1.296 -1.937 2.747 1.00 20.00 H HETATM 51 2HB2 AIB A 4 2.013 -3.538 2.805 1.00 20.00 H HETATM 52 3HB2 AIB A 4 1.725 -2.791 1.245 1.00 20.00 H HETATM 53 N AIB A 5 3.615 -0.634 0.231 1.00 20.00 N HETATM 54 CA AIB A 5 4.003 -0.371 -1.163 1.00 20.00 C HETATM 55 C AIB A 5 5.138 -1.310 -1.616 1.00 20.00 C HETATM 56 O1 AIB A 5 6.308 -0.898 -1.561 1.00 20.00 O HETATM 57 CB1 AIB A 5 2.819 -0.615 -2.099 1.00 20.00 C HETATM 58 CB2 AIB A 5 4.515 1.064 -1.299 1.00 20.00 C HETATM 59 1HN AIB A 5 3.152 0.098 0.703 1.00 20.00 H HETATM 60 1HB1 AIB A 5 3.168 -1.113 -2.997 1.00 20.00 H HETATM 61 2HB1 AIB A 5 2.366 0.318 -2.375 1.00 20.00 H HETATM 62 3HB1 AIB A 5 2.079 -1.226 -1.593 1.00 20.00 H HETATM 63 1HB2 AIB A 5 4.615 1.312 -2.350 1.00 20.00 H HETATM 64 2HB2 AIB A 5 5.474 1.160 -0.827 1.00 20.00 H HETATM 65 3HB2 AIB A 5 3.819 1.741 -0.815 1.00 20.00 H HETATM 66 N DIV A 6 4.765 -2.552 -2.059 1.00 20.00 N HETATM 67 CA DIV A 6 5.748 -3.550 -2.529 1.00 20.00 C HETATM 68 CB1 DIV A 6 5.219 -4.957 -2.565 1.00 20.00 C HETATM 69 CG1 DIV A 6 5.014 -5.545 -1.177 1.00 20.00 C HETATM 70 CB2 DIV A 6 5.965 -3.523 -4.035 1.00 20.00 C HETATM 71 C DIV A 6 7.089 -3.392 -1.769 1.00 20.00 C HETATM 72 O DIV A 6 8.114 -3.081 -2.373 1.00 20.00 O HETATM 73 1HN DIV A 6 3.817 -2.822 -2.083 1.00 20.00 H HETATM 74 1HB1 DIV A 6 5.911 -5.601 -3.091 1.00 20.00 H HETATM 75 2HB1 DIV A 6 4.265 -4.975 -3.073 1.00 20.00 H HETATM 76 1HG1 DIV A 6 4.322 -4.934 -0.614 1.00 20.00 H HETATM 77 2HG1 DIV A 6 5.961 -5.592 -0.658 1.00 20.00 H HETATM 78 3HG1 DIV A 6 4.612 -6.543 -1.270 1.00 20.00 H HETATM 79 1HB2 DIV A 6 5.027 -3.700 -4.541 1.00 20.00 H HETATM 80 2HB2 DIV A 6 6.672 -4.289 -4.316 1.00 20.00 H HETATM 81 3HB2 DIV A 6 6.351 -2.558 -4.331 1.00 20.00 H ATOM 82 N GLY A 7 7.064 -3.621 -0.437 1.00 20.00 N ATOM 83 CA GLY A 7 8.283 -3.504 0.343 1.00 20.00 C ATOM 84 C GLY A 7 8.721 -2.064 0.546 1.00 20.00 C ATOM 85 O GLY A 7 9.898 -1.798 0.779 1.00 20.00 O ATOM 86 H GLY A 7 6.226 -3.876 0.018 1.00 20.00 H ATOM 87 1HA GLY A 7 9.073 -4.039 -0.163 1.00 20.00 H ATOM 88 2HA GLY A 7 8.121 -3.957 1.309 1.00 20.00 H ATOM 89 N LEU A 8 7.773 -1.138 0.463 1.00 20.00 N ATOM 90 CA LEU A 8 8.068 0.280 0.643 1.00 20.00 C ATOM 91 C LEU A 8 9.446 0.636 0.090 1.00 20.00 C ATOM 92 O LEU A 8 10.252 1.266 0.797 1.00 20.00 O ATOM 93 CB LEU A 8 7.989 0.662 2.126 1.00 20.00 C ATOM 94 CG LEU A 8 8.066 -0.506 3.113 1.00 20.00 C ATOM 95 CD1 LEU A 8 9.503 -0.742 3.551 1.00 20.00 C ATOM 96 CD2 LEU A 8 7.179 -0.239 4.320 1.00 20.00 C ATOM 97 H LEU A 8 6.851 -1.413 0.278 1.00 20.00 H ATOM 98 HA LEU A 8 7.324 0.843 0.100 1.00 20.00 H ATOM 99 1HB LEU A 8 8.801 1.340 2.343 1.00 20.00 H ATOM 100 2HB LEU A 8 7.057 1.180 2.292 1.00 20.00 H ATOM 101 HG LEU A 8 7.713 -1.405 2.630 1.00 20.00 H ATOM 102 1HD1 LEU A 8 10.063 0.178 3.458 1.00 20.00 H ATOM 103 2HD1 LEU A 8 9.515 -1.070 4.579 1.00 20.00 H ATOM 104 3HD1 LEU A 8 9.950 -1.501 2.925 1.00 20.00 H ATOM 105 1HD2 LEU A 8 6.963 0.818 4.381 1.00 20.00 H ATOM 106 2HD2 LEU A 8 6.255 -0.789 4.217 1.00 20.00 H ATOM 107 3HD2 LEU A 8 7.688 -0.554 5.218 1.00 20.00 H HETATM 108 N AIB A 9 9.685 0.227 -1.178 1.00 20.00 N HETATM 109 CA AIB A 9 10.959 0.495 -1.863 1.00 20.00 C HETATM 110 C AIB A 9 12.160 0.244 -0.930 1.00 20.00 C HETATM 111 O1 AIB A 9 13.163 0.964 -1.048 1.00 20.00 O HETATM 112 CB1 AIB A 9 11.121 -0.428 -3.071 1.00 20.00 C HETATM 113 CB2 AIB A 9 11.031 1.961 -2.286 1.00 20.00 C HETATM 114 1HN AIB A 9 8.986 -0.262 -1.661 1.00 20.00 H HETATM 115 1HB1 AIB A 9 10.551 -0.033 -3.906 1.00 20.00 H HETATM 116 2HB1 AIB A 9 10.756 -1.410 -2.839 1.00 20.00 H HETATM 117 3HB1 AIB A 9 12.171 -0.498 -3.331 1.00 20.00 H HETATM 118 1HB2 AIB A 9 11.735 2.485 -1.648 1.00 20.00 H HETATM 119 2HB2 AIB A 9 10.067 2.423 -2.189 1.00 20.00 H HETATM 120 3HB2 AIB A 9 11.344 2.023 -3.323 1.00 20.00 H HETATM 121 N AIB A 10 12.028 -0.770 -0.018 1.00 20.00 N HETATM 122 CA AIB A 10 13.094 -1.113 0.933 1.00 20.00 C HETATM 123 C AIB A 10 14.430 -1.373 0.208 1.00 20.00 C HETATM 124 O1 AIB A 10 15.479 -0.964 0.706 1.00 20.00 O HETATM 125 CB1 AIB A 10 13.324 0.045 1.904 1.00 20.00 C HETATM 126 CB2 AIB A 10 12.744 -2.394 1.690 1.00 20.00 C HETATM 127 1HN AIB A 10 11.200 -1.306 0.034 1.00 20.00 H HETATM 128 1HB1 AIB A 10 12.749 -0.123 2.810 1.00 20.00 H HETATM 129 2HB1 AIB A 10 13.005 0.969 1.461 1.00 20.00 H HETATM 130 3HB1 AIB A 10 14.381 0.118 2.137 1.00 20.00 H HETATM 131 1HB2 AIB A 10 13.197 -3.244 1.188 1.00 20.00 H HETATM 132 2HB2 AIB A 10 11.679 -2.535 1.710 1.00 20.00 H HETATM 133 3HB2 AIB A 10 13.106 -2.322 2.710 1.00 20.00 H HETATM 134 N HYP A 11 14.422 -2.064 -0.973 1.00 20.00 N HETATM 135 CA HYP A 11 15.699 -2.323 -1.665 1.00 20.00 C HETATM 136 C HYP A 11 16.347 -1.051 -2.207 1.00 20.00 C HETATM 137 O HYP A 11 17.440 -1.097 -2.771 1.00 20.00 O HETATM 138 CB HYP A 11 15.327 -3.260 -2.825 1.00 20.00 C HETATM 139 CG HYP A 11 13.999 -3.884 -2.416 1.00 20.00 C HETATM 140 CD HYP A 11 13.321 -2.729 -1.720 1.00 20.00 C HETATM 141 OD HYP A 11 14.189 -4.915 -1.462 1.00 20.00 O HETATM 142 HA HYP A 11 16.400 -2.823 -1.014 1.00 20.00 H HETATM 143 1HB HYP A 11 16.094 -4.010 -2.945 1.00 20.00 H HETATM 144 2HB HYP A 11 15.229 -2.688 -3.736 1.00 20.00 H HETATM 145 1HD HYP A 11 12.890 -2.056 -2.448 1.00 20.00 H HETATM 146 2HD HYP A 11 12.563 -3.093 -1.044 1.00 20.00 H HETATM 147 HOD HYP A 11 14.451 -5.733 -1.891 1.00 20.00 H HETATM 148 HG HYP A 11 13.448 -4.119 -3.315 1.00 20.00 H ATOM 149 N GLN A 12 15.671 0.082 -2.038 1.00 20.00 N ATOM 150 CA GLN A 12 16.194 1.355 -2.519 1.00 20.00 C ATOM 151 C GLN A 12 17.108 2.002 -1.482 1.00 20.00 C ATOM 152 O GLN A 12 18.280 2.286 -1.783 1.00 20.00 O ATOM 153 CB GLN A 12 15.047 2.304 -2.871 1.00 20.00 C ATOM 154 CG GLN A 12 14.211 1.836 -4.053 1.00 20.00 C ATOM 155 CD GLN A 12 15.048 1.183 -5.136 1.00 20.00 C ATOM 156 OE1 GLN A 12 16.077 1.720 -5.550 1.00 20.00 O ATOM 157 NE2 GLN A 12 14.612 0.018 -5.604 1.00 20.00 N ATOM 158 H GLN A 12 14.803 0.060 -1.583 1.00 20.00 H ATOM 159 HA GLN A 12 16.771 1.158 -3.411 1.00 20.00 H ATOM 160 1HB GLN A 12 14.397 2.400 -2.014 1.00 20.00 H ATOM 161 2HB GLN A 12 15.457 3.273 -3.111 1.00 20.00 H ATOM 162 1HG GLN A 12 13.482 1.122 -3.702 1.00 20.00 H ATOM 163 2HG GLN A 12 13.703 2.690 -4.477 1.00 20.00 H ATOM 164 1HE2 GLN A 12 13.784 -0.351 -5.229 1.00 20.00 H ATOM 165 2HE2 GLN A 12 15.136 -0.424 -6.304 1.00 20.00 H HETATM 166 N DIV A 13 16.545 2.223 -0.272 1.00 20.00 N HETATM 167 CA DIV A 13 17.290 2.845 0.842 1.00 20.00 C HETATM 168 CB1 DIV A 13 17.028 4.320 0.986 1.00 20.00 C HETATM 169 CG1 DIV A 13 15.554 4.686 0.918 1.00 20.00 C HETATM 170 CB2 DIV A 13 16.741 2.503 2.222 1.00 20.00 C HETATM 171 C DIV A 13 18.794 2.479 0.760 1.00 20.00 C HETATM 172 O DIV A 13 19.614 3.324 1.102 1.00 20.00 O HETATM 173 1HN DIV A 13 15.609 1.967 -0.129 1.00 20.00 H HETATM 174 1HB1 DIV A 13 17.527 4.851 0.189 1.00 20.00 H HETATM 175 2HB1 DIV A 13 17.413 4.675 1.933 1.00 20.00 H HETATM 176 1HG1 DIV A 13 15.447 5.756 1.000 1.00 20.00 H HETATM 177 2HG1 DIV A 13 15.022 4.213 1.729 1.00 20.00 H HETATM 178 3HG1 DIV A 13 15.138 4.357 -0.026 1.00 20.00 H HETATM 179 1HB2 DIV A 13 17.169 3.160 2.967 1.00 20.00 H HETATM 180 2HB2 DIV A 13 16.993 1.482 2.468 1.00 20.00 H HETATM 181 3HB2 DIV A 13 15.668 2.609 2.228 1.00 20.00 H HETATM 182 N HYP A 14 19.155 1.228 0.299 1.00 20.00 N HETATM 183 CA HYP A 14 20.564 0.818 0.176 1.00 20.00 C HETATM 184 C HYP A 14 21.598 1.882 0.584 1.00 20.00 C HETATM 185 O HYP A 14 22.367 1.628 1.523 1.00 20.00 O HETATM 186 CB HYP A 14 20.605 -0.354 1.156 1.00 20.00 C HETATM 187 CG HYP A 14 19.313 -1.116 0.872 1.00 20.00 C HETATM 188 CD HYP A 14 18.349 -0.026 0.418 1.00 20.00 C HETATM 189 OD HYP A 14 18.790 -1.689 2.059 1.00 20.00 O HETATM 190 HA HYP A 14 20.786 0.450 -0.829 1.00 20.00 H HETATM 191 1HB HYP A 14 20.633 0.013 2.181 1.00 20.00 H HETATM 192 2HB HYP A 14 21.475 -0.962 0.960 1.00 20.00 H HETATM 193 1HD HYP A 14 17.921 -0.290 -0.538 1.00 20.00 H HETATM 194 2HD HYP A 14 17.567 0.095 1.152 1.00 20.00 H HETATM 195 HOD HYP A 14 18.911 -1.090 2.799 1.00 20.00 H HETATM 196 HG HYP A 14 19.498 -1.775 0.036 1.00 20.00 H HETATM 197 N AIB A 15 21.596 3.050 -0.134 1.00 20.00 N HETATM 198 CA AIB A 15 22.529 4.156 0.140 1.00 20.00 C HETATM 199 C AIB A 15 23.583 3.764 1.198 1.00 20.00 C HETATM 200 O1 AIB A 15 24.748 3.576 0.847 1.00 20.00 O HETATM 201 CB1 AIB A 15 23.289 4.520 -1.134 1.00 20.00 C HETATM 202 CB2 AIB A 15 21.773 5.367 0.684 1.00 20.00 C HETATM 203 1HN AIB A 15 20.953 3.182 -0.864 1.00 20.00 H HETATM 204 1HB1 AIB A 15 22.643 4.377 -1.993 1.00 20.00 H HETATM 205 2HB1 AIB A 15 24.152 3.890 -1.243 1.00 20.00 H HETATM 206 3HB1 AIB A 15 23.617 5.552 -1.076 1.00 20.00 H HETATM 207 1HB2 AIB A 15 20.768 5.071 0.962 1.00 20.00 H HETATM 208 2HB2 AIB A 15 21.712 6.132 -0.067 1.00 20.00 H HETATM 209 3HB2 AIB A 15 22.300 5.765 1.545 1.00 20.00 H ATOM 210 N PRO A 16 23.197 3.645 2.507 1.00 20.00 N ATOM 211 CA PRO A 16 24.182 3.283 3.530 1.00 20.00 C ATOM 212 C PRO A 16 25.259 2.329 3.012 1.00 20.00 C ATOM 213 O PRO A 16 26.411 2.394 3.441 1.00 20.00 O ATOM 214 CB PRO A 16 23.340 2.593 4.599 1.00 20.00 C ATOM 215 CG PRO A 16 22.001 3.244 4.527 1.00 20.00 C ATOM 216 CD PRO A 16 21.869 3.859 3.153 1.00 20.00 C ATOM 217 HA PRO A 16 24.652 4.158 3.952 1.00 20.00 H ATOM 218 1HB PRO A 16 23.278 1.535 4.382 1.00 20.00 H ATOM 219 2HB PRO A 16 23.796 2.740 5.568 1.00 20.00 H ATOM 220 1HG PRO A 16 21.229 2.503 4.676 1.00 20.00 H ATOM 221 2HG PRO A 16 21.929 4.009 5.284 1.00 20.00 H ATOM 222 1HD PRO A 16 21.091 3.360 2.595 1.00 20.00 H ATOM 223 2HD PRO A 16 21.651 4.912 3.235 1.00 20.00 H HETATM 224 C PDH A 17 26.460 -0.345 2.739 1.00 20.00 C HETATM 225 O PDH A 17 27.790 -0.759 2.475 1.00 20.00 O HETATM 226 CA PDH A 17 25.853 0.440 1.511 1.00 20.00 C HETATM 227 N PDH A 17 24.878 1.443 2.097 1.00 20.00 N HETATM 228 CB PDH A 17 25.540 -0.232 0.208 1.00 20.00 C HETATM 229 CG PDH A 17 25.446 0.712 -0.958 1.00 20.00 C HETATM 230 CD1 PDH A 17 26.467 1.618 -1.214 1.00 20.00 C HETATM 231 CD2 PDH A 17 24.338 0.694 -1.799 1.00 20.00 C HETATM 232 CE1 PDH A 17 26.389 2.489 -2.290 1.00 20.00 C HETATM 233 CE2 PDH A 17 24.253 1.563 -2.876 1.00 20.00 C HETATM 234 CZ PDH A 17 25.280 2.462 -3.121 1.00 20.00 C HETATM 235 H1 PDH A 17 25.858 -1.219 2.939 1.00 20.00 H HETATM 236 H2 PDH A 17 26.462 0.296 3.608 1.00 20.00 H HETATM 237 HO PDH A 17 28.387 -0.333 3.094 1.00 20.00 H HETATM 238 HA PDH A 17 26.556 0.905 1.037 1.00 20.00 H HETATM 239 1HB PDH A 17 24.595 -0.748 0.296 1.00 20.00 H HETATM 240 2HB PDH A 17 26.317 -0.950 -0.011 1.00 20.00 H HETATM 241 HD1 PDH A 17 27.332 1.640 -0.567 1.00 20.00 H HETATM 242 HD2 PDH A 17 23.538 -0.005 -1.608 1.00 20.00 H HETATM 243 HE1 PDH A 17 27.190 3.190 -2.479 1.00 20.00 H HETATM 244 HE2 PDH A 17 23.388 1.540 -3.523 1.00 20.00 H HETATM 245 HZ PDH A 17 25.217 3.139 -3.960 1.00 20.00 H HETATM 246 HN PDH A 17 23.946 1.435 1.794 1.00 20.00 H TER 247 PDH A 17 ENDMDL MODEL 6 HETATM 1 C ACE A 1 1.359 5.040 1.606 1.00 20.00 C HETATM 2 O ACE A 1 1.146 5.467 2.741 1.00 20.00 O HETATM 3 CH3 ACE A 1 2.848 5.289 1.934 1.00 20.00 C HETATM 4 1H ACE A 1 2.990 6.327 2.209 1.00 20.00 H HETATM 5 2H ACE A 1 3.458 5.066 1.073 1.00 20.00 H HETATM 6 3H ACE A 1 3.152 4.662 2.759 1.00 20.00 H ATOM 7 N PHE A 2 1.251 3.730 1.303 1.00 20.00 N ATOM 8 CA PHE A 2 0.974 2.896 2.484 1.00 20.00 C ATOM 9 C PHE A 2 2.185 2.051 2.888 1.00 20.00 C ATOM 10 O PHE A 2 2.961 1.626 2.015 1.00 20.00 O ATOM 11 CB PHE A 2 -0.221 1.981 2.210 1.00 20.00 C ATOM 12 CG PHE A 2 -1.507 2.483 2.802 1.00 20.00 C ATOM 13 CD1 PHE A 2 -2.585 2.794 1.987 1.00 20.00 C ATOM 14 CD2 PHE A 2 -1.638 2.644 4.171 1.00 20.00 C ATOM 15 CE1 PHE A 2 -3.771 3.254 2.529 1.00 20.00 C ATOM 16 CE2 PHE A 2 -2.821 3.104 4.719 1.00 20.00 C ATOM 17 CZ PHE A 2 -3.888 3.410 3.897 1.00 20.00 C ATOM 18 H PHE A 2 2.127 3.353 1.075 1.00 20.00 H ATOM 19 HA PHE A 2 0.726 3.550 3.304 1.00 20.00 H ATOM 20 1HB PHE A 2 -0.359 1.891 1.143 1.00 20.00 H ATOM 21 2HB PHE A 2 -0.021 1.005 2.627 1.00 20.00 H ATOM 22 HD1 PHE A 2 -2.494 2.672 0.918 1.00 20.00 H ATOM 23 HD2 PHE A 2 -0.805 2.405 4.814 1.00 20.00 H ATOM 24 HE1 PHE A 2 -4.603 3.493 1.884 1.00 20.00 H ATOM 25 HE2 PHE A 2 -2.910 3.224 5.789 1.00 20.00 H ATOM 26 HZ PHE A 2 -4.813 3.769 4.322 1.00 20.00 H HETATM 27 N AIB A 3 2.315 1.827 4.215 1.00 20.00 N HETATM 28 CA AIB A 3 3.419 1.034 4.773 1.00 20.00 C HETATM 29 C AIB A 3 3.378 -0.416 4.256 1.00 20.00 C HETATM 30 O1 AIB A 3 3.106 -1.331 5.052 1.00 20.00 O HETATM 31 CB1 AIB A 3 3.320 0.991 6.297 1.00 20.00 C HETATM 32 CB2 AIB A 3 4.761 1.622 4.335 1.00 20.00 C HETATM 33 1HN AIB A 3 1.650 2.203 4.830 1.00 20.00 H HETATM 34 1HB1 AIB A 3 4.175 1.502 6.727 1.00 20.00 H HETATM 35 2HB1 AIB A 3 3.317 -0.025 6.641 1.00 20.00 H HETATM 36 3HB1 AIB A 3 2.399 1.469 6.610 1.00 20.00 H HETATM 37 1HB2 AIB A 3 4.626 2.664 4.063 1.00 20.00 H HETATM 38 2HB2 AIB A 3 5.138 1.089 3.482 1.00 20.00 H HETATM 39 3HB2 AIB A 3 5.475 1.534 5.146 1.00 20.00 H HETATM 40 N AIB A 4 3.648 -0.598 2.927 1.00 20.00 N HETATM 41 CA AIB A 4 3.643 -1.928 2.299 1.00 20.00 C HETATM 42 C AIB A 4 4.095 -1.852 0.828 1.00 20.00 C HETATM 43 O1 AIB A 4 4.721 -2.813 0.350 1.00 20.00 O HETATM 44 CB1 AIB A 4 4.615 -2.862 3.019 1.00 20.00 C HETATM 45 CB2 AIB A 4 2.229 -2.509 2.301 1.00 20.00 C HETATM 46 1HN AIB A 4 3.856 0.170 2.345 1.00 20.00 H HETATM 47 1HB1 AIB A 4 5.483 -3.031 2.390 1.00 20.00 H HETATM 48 2HB1 AIB A 4 4.143 -3.806 3.216 1.00 20.00 H HETATM 49 3HB1 AIB A 4 4.913 -2.417 3.961 1.00 20.00 H HETATM 50 1HB2 AIB A 4 1.768 -2.337 1.335 1.00 20.00 H HETATM 51 2HB2 AIB A 4 1.635 -2.033 3.058 1.00 20.00 H HETATM 52 3HB2 AIB A 4 2.278 -3.572 2.513 1.00 20.00 H HETATM 53 N AIB A 5 3.761 -0.714 0.141 1.00 20.00 N HETATM 54 CA AIB A 5 4.125 -0.512 -1.269 1.00 20.00 C HETATM 55 C AIB A 5 5.356 -1.355 -1.656 1.00 20.00 C HETATM 56 O1 AIB A 5 6.484 -0.854 -1.529 1.00 20.00 O HETATM 57 CB1 AIB A 5 2.974 -0.934 -2.181 1.00 20.00 C HETATM 58 CB2 AIB A 5 4.496 0.952 -1.506 1.00 20.00 C HETATM 59 1HN AIB A 5 3.259 0.016 0.575 1.00 20.00 H HETATM 60 1HB1 AIB A 5 2.190 -0.186 -2.141 1.00 20.00 H HETATM 61 2HB1 AIB A 5 2.570 -1.874 -1.856 1.00 20.00 H HETATM 62 3HB1 AIB A 5 3.339 -1.043 -3.196 1.00 20.00 H HETATM 63 1HB2 AIB A 5 4.436 1.172 -2.565 1.00 20.00 H HETATM 64 2HB2 AIB A 5 5.498 1.139 -1.170 1.00 20.00 H HETATM 65 3HB2 AIB A 5 3.817 1.590 -0.948 1.00 20.00 H HETATM 66 N DIV A 6 5.110 -2.619 -2.127 1.00 20.00 N HETATM 67 CA DIV A 6 6.197 -3.531 -2.540 1.00 20.00 C HETATM 68 CB1 DIV A 6 5.764 -4.968 -2.699 1.00 20.00 C HETATM 69 CG1 DIV A 6 4.436 -5.119 -3.424 1.00 20.00 C HETATM 70 CB2 DIV A 6 6.597 -3.376 -4.002 1.00 20.00 C HETATM 71 C DIV A 6 7.435 -3.336 -1.631 1.00 20.00 C HETATM 72 O DIV A 6 8.457 -2.814 -2.076 1.00 20.00 O HETATM 73 1HN DIV A 6 4.190 -2.962 -2.210 1.00 20.00 H HETATM 74 1HB1 DIV A 6 5.651 -5.416 -1.722 1.00 20.00 H HETATM 75 2HB1 DIV A 6 6.508 -5.525 -3.252 1.00 20.00 H HETATM 76 1HG1 DIV A 6 4.182 -6.167 -3.486 1.00 20.00 H HETATM 77 2HG1 DIV A 6 4.514 -4.711 -4.420 1.00 20.00 H HETATM 78 3HG1 DIV A 6 3.661 -4.598 -2.880 1.00 20.00 H HETATM 79 1HB2 DIV A 6 5.714 -3.351 -4.624 1.00 20.00 H HETATM 80 2HB2 DIV A 6 7.225 -4.201 -4.307 1.00 20.00 H HETATM 81 3HB2 DIV A 6 7.143 -2.454 -4.131 1.00 20.00 H ATOM 82 N GLY A 7 7.327 -3.764 -0.355 1.00 20.00 N ATOM 83 CA GLY A 7 8.449 -3.612 0.550 1.00 20.00 C ATOM 84 C GLY A 7 8.842 -2.159 0.742 1.00 20.00 C ATOM 85 O GLY A 7 10.014 -1.856 0.960 1.00 20.00 O ATOM 86 H GLY A 7 6.493 -4.179 -0.026 1.00 20.00 H ATOM 87 1HA GLY A 7 9.294 -4.149 0.147 1.00 20.00 H ATOM 88 2HA GLY A 7 8.193 -4.041 1.510 1.00 20.00 H ATOM 89 N LEU A 8 7.865 -1.253 0.657 1.00 20.00 N ATOM 90 CA LEU A 8 8.130 0.174 0.815 1.00 20.00 C ATOM 91 C LEU A 8 9.476 0.546 0.201 1.00 20.00 C ATOM 92 O LEU A 8 10.356 1.076 0.901 1.00 20.00 O ATOM 93 CB LEU A 8 8.077 0.587 2.293 1.00 20.00 C ATOM 94 CG LEU A 8 8.916 -0.257 3.258 1.00 20.00 C ATOM 95 CD1 LEU A 8 10.200 0.469 3.624 1.00 20.00 C ATOM 96 CD2 LEU A 8 8.114 -0.584 4.509 1.00 20.00 C ATOM 97 H LEU A 8 6.947 -1.547 0.475 1.00 20.00 H ATOM 98 HA LEU A 8 7.356 0.706 0.281 1.00 20.00 H ATOM 99 1HB LEU A 8 8.412 1.612 2.367 1.00 20.00 H ATOM 100 2HB LEU A 8 7.048 0.542 2.617 1.00 20.00 H ATOM 101 HG LEU A 8 9.185 -1.186 2.782 1.00 20.00 H ATOM 102 1HD1 LEU A 8 10.193 1.456 3.185 1.00 20.00 H ATOM 103 2HD1 LEU A 8 10.272 0.553 4.698 1.00 20.00 H ATOM 104 3HD1 LEU A 8 11.047 -0.086 3.249 1.00 20.00 H ATOM 105 1HD2 LEU A 8 7.369 0.181 4.668 1.00 20.00 H ATOM 106 2HD2 LEU A 8 7.628 -1.540 4.385 1.00 20.00 H ATOM 107 3HD2 LEU A 8 8.776 -0.625 5.361 1.00 20.00 H HETATM 108 N AIB A 9 9.598 0.258 -1.115 1.00 20.00 N HETATM 109 CA AIB A 9 10.821 0.551 -1.877 1.00 20.00 C HETATM 110 C AIB A 9 12.085 0.226 -1.055 1.00 20.00 C HETATM 111 O1 AIB A 9 13.113 0.889 -1.263 1.00 20.00 O HETATM 112 CB1 AIB A 9 10.871 -0.313 -3.137 1.00 20.00 C HETATM 113 CB2 AIB A 9 10.878 2.036 -2.233 1.00 20.00 C HETATM 114 1HN AIB A 9 8.845 -0.158 -1.583 1.00 20.00 H HETATM 115 1HB1 AIB A 9 10.055 -0.038 -3.796 1.00 20.00 H HETATM 116 2HB1 AIB A 9 10.772 -1.350 -2.879 1.00 20.00 H HETATM 117 3HB1 AIB A 9 11.824 -0.168 -3.635 1.00 20.00 H HETATM 118 1HB2 AIB A 9 11.492 2.557 -1.507 1.00 20.00 H HETATM 119 2HB2 AIB A 9 9.892 2.458 -2.218 1.00 20.00 H HETATM 120 3HB2 AIB A 9 11.291 2.150 -3.230 1.00 20.00 H HETATM 121 N AIB A 10 11.979 -0.786 -0.139 1.00 20.00 N HETATM 122 CA AIB A 10 13.107 -1.196 0.709 1.00 20.00 C HETATM 123 C AIB A 10 14.384 -1.426 -0.127 1.00 20.00 C HETATM 124 O1 AIB A 10 15.471 -1.054 0.317 1.00 20.00 O HETATM 125 CB1 AIB A 10 13.426 -0.109 1.734 1.00 20.00 C HETATM 126 CB2 AIB A 10 12.786 -2.519 1.402 1.00 20.00 C HETATM 127 1HN AIB A 10 11.130 -1.279 -0.012 1.00 20.00 H HETATM 128 1HB1 AIB A 10 14.040 -0.527 2.525 1.00 20.00 H HETATM 129 2HB1 AIB A 10 12.519 0.269 2.166 1.00 20.00 H HETATM 130 3HB1 AIB A 10 13.945 0.708 1.245 1.00 20.00 H HETATM 131 1HB2 AIB A 10 11.937 -2.382 2.065 1.00 20.00 H HETATM 132 2HB2 AIB A 10 13.627 -2.848 1.983 1.00 20.00 H HETATM 133 3HB2 AIB A 10 12.562 -3.274 0.655 1.00 20.00 H HETATM 134 N HYP A 11 14.283 -2.050 -1.341 1.00 20.00 N HETATM 135 CA HYP A 11 15.505 -2.283 -2.136 1.00 20.00 C HETATM 136 C HYP A 11 16.198 -0.992 -2.571 1.00 20.00 C HETATM 137 O HYP A 11 17.313 -1.027 -3.091 1.00 20.00 O HETATM 138 CB HYP A 11 15.018 -3.062 -3.366 1.00 20.00 C HETATM 139 CG HYP A 11 13.731 -3.736 -2.914 1.00 20.00 C HETATM 140 CD HYP A 11 13.120 -2.670 -2.035 1.00 20.00 C HETATM 141 OD HYP A 11 14.002 -4.868 -2.103 1.00 20.00 O HETATM 142 HA HYP A 11 16.211 -2.892 -1.591 1.00 20.00 H HETATM 143 1HB HYP A 11 15.763 -3.787 -3.655 1.00 20.00 H HETATM 144 2HB HYP A 11 14.839 -2.376 -4.182 1.00 20.00 H HETATM 145 1HD HYP A 11 12.604 -1.940 -2.642 1.00 20.00 H HETATM 146 2HD HYP A 11 12.441 -3.115 -1.322 1.00 20.00 H HETATM 147 HOD HYP A 11 13.255 -5.043 -1.526 1.00 20.00 H HETATM 148 HG HYP A 11 13.100 -3.873 -3.780 1.00 20.00 H ATOM 149 N GLN A 12 15.541 0.144 -2.361 1.00 20.00 N ATOM 150 CA GLN A 12 16.116 1.434 -2.743 1.00 20.00 C ATOM 151 C GLN A 12 17.011 1.984 -1.637 1.00 20.00 C ATOM 152 O GLN A 12 18.073 2.560 -1.933 1.00 20.00 O ATOM 153 CB GLN A 12 15.009 2.448 -3.065 1.00 20.00 C ATOM 154 CG GLN A 12 14.451 2.361 -4.484 1.00 20.00 C ATOM 155 CD GLN A 12 15.493 2.653 -5.549 1.00 20.00 C ATOM 156 OE1 GLN A 12 16.657 2.276 -5.423 1.00 20.00 O ATOM 157 NE2 GLN A 12 15.076 3.335 -6.609 1.00 20.00 N ATOM 158 H GLN A 12 14.654 0.118 -1.945 1.00 20.00 H ATOM 159 HA GLN A 12 16.724 1.276 -3.620 1.00 20.00 H ATOM 160 1HB GLN A 12 14.192 2.297 -2.377 1.00 20.00 H ATOM 161 2HB GLN A 12 15.404 3.444 -2.921 1.00 20.00 H ATOM 162 1HG GLN A 12 14.051 1.371 -4.649 1.00 20.00 H ATOM 163 2HG GLN A 12 13.654 3.084 -4.580 1.00 20.00 H ATOM 164 1HE2 GLN A 12 14.134 3.608 -6.643 1.00 20.00 H ATOM 165 2HE2 GLN A 12 15.725 3.537 -7.315 1.00 20.00 H HETATM 166 N DIV A 13 16.560 1.802 -0.376 1.00 20.00 N HETATM 167 CA DIV A 13 17.308 2.280 0.805 1.00 20.00 C HETATM 168 CB1 DIV A 13 16.925 3.669 1.248 1.00 20.00 C HETATM 169 CG1 DIV A 13 17.016 4.691 0.124 1.00 20.00 C HETATM 170 CB2 DIV A 13 16.871 1.669 2.129 1.00 20.00 C HETATM 171 C DIV A 13 18.831 2.089 0.597 1.00 20.00 C HETATM 172 O DIV A 13 19.575 3.015 0.898 1.00 20.00 O HETATM 173 1HN DIV A 13 15.707 1.337 -0.239 1.00 20.00 H HETATM 174 1HB1 DIV A 13 17.584 3.993 2.039 1.00 20.00 H HETATM 175 2HB1 DIV A 13 15.906 3.677 1.611 1.00 20.00 H HETATM 176 1HG1 DIV A 13 16.337 4.419 -0.673 1.00 20.00 H HETATM 177 2HG1 DIV A 13 18.027 4.727 -0.259 1.00 20.00 H HETATM 178 3HG1 DIV A 13 16.745 5.665 0.506 1.00 20.00 H HETATM 179 1HB2 DIV A 13 17.417 2.127 2.941 1.00 20.00 H HETATM 180 2HB2 DIV A 13 17.068 0.607 2.124 1.00 20.00 H HETATM 181 3HB2 DIV A 13 15.814 1.833 2.276 1.00 20.00 H HETATM 182 N HYP A 14 19.291 0.896 0.076 1.00 20.00 N HETATM 183 CA HYP A 14 20.721 0.641 -0.162 1.00 20.00 C HETATM 184 C HYP A 14 21.682 1.749 0.314 1.00 20.00 C HETATM 185 O HYP A 14 22.496 1.481 1.207 1.00 20.00 O HETATM 186 CB HYP A 14 20.922 -0.622 0.675 1.00 20.00 C HETATM 187 CG HYP A 14 19.687 -1.467 0.368 1.00 20.00 C HETATM 188 CD HYP A 14 18.610 -0.432 0.065 1.00 20.00 C HETATM 189 OD HYP A 14 19.274 -2.196 1.513 1.00 20.00 O HETATM 190 HA HYP A 14 20.917 0.403 -1.212 1.00 20.00 H HETATM 191 1HB HYP A 14 20.979 -0.369 1.733 1.00 20.00 H HETATM 192 2HB HYP A 14 21.830 -1.121 0.367 1.00 20.00 H HETATM 193 1HD HYP A 14 18.178 -0.625 -0.907 1.00 20.00 H HETATM 194 2HD HYP A 14 17.843 -0.471 0.822 1.00 20.00 H HETATM 195 HOD HYP A 14 19.189 -3.124 1.282 1.00 20.00 H HETATM 196 HG HYP A 14 19.885 -2.026 -0.534 1.00 20.00 H HETATM 197 N AIB A 15 21.568 2.970 -0.297 1.00 20.00 N HETATM 198 CA AIB A 15 22.423 4.119 0.051 1.00 20.00 C HETATM 199 C AIB A 15 23.297 3.832 1.290 1.00 20.00 C HETATM 200 O1 AIB A 15 24.523 3.832 1.175 1.00 20.00 O HETATM 201 CB1 AIB A 15 23.373 4.428 -1.105 1.00 20.00 C HETATM 202 CB2 AIB A 15 21.563 5.336 0.387 1.00 20.00 C HETATM 203 1HN AIB A 15 20.896 3.117 -0.997 1.00 20.00 H HETATM 204 1HB1 AIB A 15 23.888 5.363 -0.908 1.00 20.00 H HETATM 205 2HB1 AIB A 15 22.823 4.524 -2.022 1.00 20.00 H HETATM 206 3HB1 AIB A 15 24.088 3.619 -1.210 1.00 20.00 H HETATM 207 1HB2 AIB A 15 21.968 6.211 -0.108 1.00 20.00 H HETATM 208 2HB2 AIB A 15 21.563 5.508 1.447 1.00 20.00 H HETATM 209 3HB2 AIB A 15 20.542 5.158 0.063 1.00 20.00 H ATOM 210 N PRO A 16 22.695 3.616 2.501 1.00 20.00 N ATOM 211 CA PRO A 16 23.535 3.379 3.693 1.00 20.00 C ATOM 212 C PRO A 16 24.758 2.510 3.407 1.00 20.00 C ATOM 213 O PRO A 16 25.821 2.712 3.996 1.00 20.00 O ATOM 214 CB PRO A 16 22.596 2.674 4.669 1.00 20.00 C ATOM 215 CG PRO A 16 21.262 3.224 4.338 1.00 20.00 C ATOM 216 CD PRO A 16 21.258 3.378 2.844 1.00 20.00 C ATOM 217 HA PRO A 16 23.863 4.312 4.126 1.00 20.00 H ATOM 218 1HB PRO A 16 22.638 1.606 4.510 1.00 20.00 H ATOM 219 2HB PRO A 16 22.879 2.908 5.685 1.00 20.00 H ATOM 220 1HG PRO A 16 20.489 2.537 4.649 1.00 20.00 H ATOM 221 2HG PRO A 16 21.130 4.185 4.814 1.00 20.00 H ATOM 222 1HD PRO A 16 20.898 2.473 2.381 1.00 20.00 H ATOM 223 2HD PRO A 16 20.649 4.221 2.553 1.00 20.00 H HETATM 224 C PDH A 17 25.167 -0.850 2.241 1.00 20.00 C HETATM 225 O PDH A 17 25.398 -1.567 1.040 1.00 20.00 O HETATM 226 CA PDH A 17 25.749 0.615 2.150 1.00 20.00 C HETATM 227 N PDH A 17 24.606 1.543 2.510 1.00 20.00 N HETATM 228 CB PDH A 17 26.749 1.021 1.103 1.00 20.00 C HETATM 229 CG PDH A 17 28.134 0.473 1.324 1.00 20.00 C HETATM 230 CD1 PDH A 17 28.547 -0.690 0.685 1.00 20.00 C HETATM 231 CD2 PDH A 17 29.023 1.122 2.173 1.00 20.00 C HETATM 232 CE1 PDH A 17 29.821 -1.196 0.888 1.00 20.00 C HETATM 233 CE2 PDH A 17 30.298 0.623 2.381 1.00 20.00 C HETATM 234 CZ PDH A 17 30.698 -0.538 1.737 1.00 20.00 C HETATM 235 H1 PDH A 17 24.104 -0.804 2.419 1.00 20.00 H HETATM 236 H2 PDH A 17 25.645 -1.374 3.055 1.00 20.00 H HETATM 237 HO PDH A 17 25.478 -0.950 0.309 1.00 20.00 H HETATM 238 HA PDH A 17 26.460 0.727 2.792 1.00 20.00 H HETATM 239 1HB PDH A 17 26.817 2.099 1.086 1.00 20.00 H HETATM 240 2HB PDH A 17 26.411 0.673 0.137 1.00 20.00 H HETATM 241 HD1 PDH A 17 27.864 -1.203 0.022 1.00 20.00 H HETATM 242 HD2 PDH A 17 28.711 2.027 2.674 1.00 20.00 H HETATM 243 HE1 PDH A 17 30.131 -2.101 0.385 1.00 20.00 H HETATM 244 HE2 PDH A 17 30.980 1.137 3.043 1.00 20.00 H HETATM 245 HZ PDH A 17 31.692 -0.930 1.897 1.00 20.00 H HETATM 246 HN PDH A 17 23.735 1.426 2.074 1.00 20.00 H TER 247 PDH A 17 ENDMDL MODEL 7 HETATM 1 C ACE A 1 1.097 4.652 0.678 1.00 20.00 C HETATM 2 O ACE A 1 0.796 5.508 1.511 1.00 20.00 O HETATM 3 CH3 ACE A 1 2.460 5.383 0.605 1.00 20.00 C HETATM 4 1H ACE A 1 2.889 5.467 1.593 1.00 20.00 H HETATM 5 2H ACE A 1 2.320 6.377 0.197 1.00 20.00 H HETATM 6 3H ACE A 1 3.138 4.835 -0.031 1.00 20.00 H ATOM 7 N PHE A 2 1.369 3.383 1.041 1.00 20.00 N ATOM 8 CA PHE A 2 1.376 3.213 2.496 1.00 20.00 C ATOM 9 C PHE A 2 2.472 2.244 2.940 1.00 20.00 C ATOM 10 O PHE A 2 3.278 1.799 2.106 1.00 20.00 O ATOM 11 CB PHE A 2 0.015 2.701 2.972 1.00 20.00 C ATOM 12 CG PHE A 2 -0.703 3.644 3.893 1.00 20.00 C ATOM 13 CD1 PHE A 2 -2.087 3.688 3.916 1.00 20.00 C ATOM 14 CD2 PHE A 2 0.004 4.486 4.735 1.00 20.00 C ATOM 15 CE1 PHE A 2 -2.754 4.553 4.762 1.00 20.00 C ATOM 16 CE2 PHE A 2 -0.656 5.354 5.584 1.00 20.00 C ATOM 17 CZ PHE A 2 -2.038 5.388 5.597 1.00 20.00 C ATOM 18 H PHE A 2 2.312 3.168 0.877 1.00 20.00 H ATOM 19 HA PHE A 2 1.563 4.177 2.943 1.00 20.00 H ATOM 20 1HB PHE A 2 -0.619 2.533 2.114 1.00 20.00 H ATOM 21 2HB PHE A 2 0.153 1.767 3.497 1.00 20.00 H ATOM 22 HD1 PHE A 2 -2.649 3.036 3.263 1.00 20.00 H ATOM 23 HD2 PHE A 2 1.085 4.461 4.726 1.00 20.00 H ATOM 24 HE1 PHE A 2 -3.834 4.577 4.770 1.00 20.00 H ATOM 25 HE2 PHE A 2 -0.093 6.006 6.236 1.00 20.00 H ATOM 26 HZ PHE A 2 -2.556 6.064 6.260 1.00 20.00 H HETATM 27 N AIB A 3 2.471 1.936 4.257 1.00 20.00 N HETATM 28 CA AIB A 3 3.454 1.019 4.848 1.00 20.00 C HETATM 29 C AIB A 3 3.278 -0.412 4.304 1.00 20.00 C HETATM 30 O1 AIB A 3 3.037 -1.330 5.105 1.00 20.00 O HETATM 31 CB1 AIB A 3 3.274 0.954 6.363 1.00 20.00 C HETATM 32 CB2 AIB A 3 4.873 1.458 4.489 1.00 20.00 C HETATM 33 1HN AIB A 3 1.792 2.336 4.840 1.00 20.00 H HETATM 34 1HB1 AIB A 3 4.248 0.936 6.840 1.00 20.00 H HETATM 35 2HB1 AIB A 3 2.740 0.064 6.633 1.00 20.00 H HETATM 36 3HB1 AIB A 3 2.707 1.816 6.693 1.00 20.00 H HETATM 37 1HB2 AIB A 3 5.060 2.445 4.897 1.00 20.00 H HETATM 38 2HB2 AIB A 3 4.988 1.498 3.421 1.00 20.00 H HETATM 39 3HB2 AIB A 3 5.584 0.742 4.888 1.00 20.00 H HETATM 40 N AIB A 4 3.401 -0.568 2.951 1.00 20.00 N HETATM 41 CA AIB A 4 3.256 -1.877 2.298 1.00 20.00 C HETATM 42 C AIB A 4 3.660 -1.805 0.811 1.00 20.00 C HETATM 43 O1 AIB A 4 4.196 -2.799 0.294 1.00 20.00 O HETATM 44 CB1 AIB A 4 4.169 -2.908 2.959 1.00 20.00 C HETATM 45 CB2 AIB A 4 1.798 -2.330 2.346 1.00 20.00 C HETATM 46 1HN AIB A 4 3.592 0.203 2.371 1.00 20.00 H HETATM 47 1HB1 AIB A 4 4.060 -3.862 2.454 1.00 20.00 H HETATM 48 2HB1 AIB A 4 3.901 -3.032 3.991 1.00 20.00 H HETATM 49 3HB1 AIB A 4 5.198 -2.568 2.903 1.00 20.00 H HETATM 50 1HB2 AIB A 4 1.474 -2.607 1.348 1.00 20.00 H HETATM 51 2HB2 AIB A 4 1.174 -1.533 2.702 1.00 20.00 H HETATM 52 3HB2 AIB A 4 1.705 -3.174 3.021 1.00 20.00 H HETATM 53 N AIB A 5 3.390 -0.631 0.158 1.00 20.00 N HETATM 54 CA AIB A 5 3.720 -0.429 -1.259 1.00 20.00 C HETATM 55 C AIB A 5 4.894 -1.329 -1.692 1.00 20.00 C HETATM 56 O1 AIB A 5 6.048 -0.874 -1.631 1.00 20.00 O HETATM 57 CB1 AIB A 5 2.525 -0.798 -2.136 1.00 20.00 C HETATM 58 CB2 AIB A 5 4.145 1.019 -1.503 1.00 20.00 C HETATM 59 1HN AIB A 5 2.958 0.125 0.623 1.00 20.00 H HETATM 60 1HB1 AIB A 5 1.953 -1.584 -1.653 1.00 20.00 H HETATM 61 2HB1 AIB A 5 2.862 -1.154 -3.091 1.00 20.00 H HETATM 62 3HB1 AIB A 5 1.905 0.078 -2.289 1.00 20.00 H HETATM 63 1HB2 AIB A 5 3.992 1.269 -2.547 1.00 20.00 H HETATM 64 2HB2 AIB A 5 5.185 1.145 -1.267 1.00 20.00 H HETATM 65 3HB2 AIB A 5 3.562 1.678 -0.868 1.00 20.00 H HETATM 66 N DIV A 6 4.572 -2.588 -2.124 1.00 20.00 N HETATM 67 CA DIV A 6 5.595 -3.554 -2.572 1.00 20.00 C HETATM 68 CB1 DIV A 6 5.084 -4.973 -2.675 1.00 20.00 C HETATM 69 CG1 DIV A 6 3.679 -5.070 -3.248 1.00 20.00 C HETATM 70 CB2 DIV A 6 5.918 -3.453 -4.059 1.00 20.00 C HETATM 71 C DIV A 6 6.883 -3.413 -1.725 1.00 20.00 C HETATM 72 O DIV A 6 7.951 -3.117 -2.261 1.00 20.00 O HETATM 73 1HN DIV A 6 3.634 -2.891 -2.151 1.00 20.00 H HETATM 74 1HB1 DIV A 6 5.058 -5.412 -1.688 1.00 20.00 H HETATM 75 2HB1 DIV A 6 5.739 -5.567 -3.300 1.00 20.00 H HETATM 76 1HG1 DIV A 6 2.986 -4.556 -2.597 1.00 20.00 H HETATM 77 2HG1 DIV A 6 3.395 -6.109 -3.321 1.00 20.00 H HETATM 78 3HG1 DIV A 6 3.649 -4.623 -4.232 1.00 20.00 H HETATM 79 1HB2 DIV A 6 6.444 -2.530 -4.253 1.00 20.00 H HETATM 80 2HB2 DIV A 6 5.006 -3.467 -4.635 1.00 20.00 H HETATM 81 3HB2 DIV A 6 6.540 -4.284 -4.357 1.00 20.00 H ATOM 82 N GLY A 7 6.768 -3.645 -0.399 1.00 20.00 N ATOM 83 CA GLY A 7 7.935 -3.551 0.463 1.00 20.00 C ATOM 84 C GLY A 7 8.396 -2.125 0.699 1.00 20.00 C ATOM 85 O GLY A 7 9.549 -1.897 1.064 1.00 20.00 O ATOM 86 H GLY A 7 5.898 -3.892 -0.002 1.00 20.00 H ATOM 87 1HA GLY A 7 8.743 -4.107 0.012 1.00 20.00 H ATOM 88 2HA GLY A 7 7.696 -3.998 1.416 1.00 20.00 H ATOM 89 N LEU A 8 7.495 -1.167 0.496 1.00 20.00 N ATOM 90 CA LEU A 8 7.811 0.245 0.695 1.00 20.00 C ATOM 91 C LEU A 8 9.275 0.543 0.376 1.00 20.00 C ATOM 92 O LEU A 8 10.060 0.832 1.296 1.00 20.00 O ATOM 93 CB LEU A 8 7.498 0.661 2.135 1.00 20.00 C ATOM 94 CG LEU A 8 8.294 -0.079 3.213 1.00 20.00 C ATOM 95 CD1 LEU A 8 9.171 0.892 3.988 1.00 20.00 C ATOM 96 CD2 LEU A 8 7.355 -0.819 4.154 1.00 20.00 C ATOM 97 H LEU A 8 6.593 -1.417 0.210 1.00 20.00 H ATOM 98 HA LEU A 8 7.189 0.819 0.024 1.00 20.00 H ATOM 99 1HB LEU A 8 7.697 1.718 2.232 1.00 20.00 H ATOM 100 2HB LEU A 8 6.448 0.491 2.315 1.00 20.00 H ATOM 101 HG LEU A 8 8.938 -0.806 2.741 1.00 20.00 H ATOM 102 1HD1 LEU A 8 8.612 1.792 4.201 1.00 20.00 H ATOM 103 2HD1 LEU A 8 9.484 0.434 4.915 1.00 20.00 H ATOM 104 3HD1 LEU A 8 10.041 1.141 3.399 1.00 20.00 H ATOM 105 1HD2 LEU A 8 6.366 -0.854 3.722 1.00 20.00 H ATOM 106 2HD2 LEU A 8 7.717 -1.826 4.306 1.00 20.00 H ATOM 107 3HD2 LEU A 8 7.316 -0.304 5.102 1.00 20.00 H HETATM 108 N AIB A 9 9.611 0.468 -0.933 1.00 20.00 N HETATM 109 CA AIB A 9 10.978 0.730 -1.410 1.00 20.00 C HETATM 110 C AIB A 9 12.026 0.092 -0.476 1.00 20.00 C HETATM 111 O1 AIB A 9 13.070 0.721 -0.237 1.00 20.00 O HETATM 112 CB1 AIB A 9 11.180 0.127 -2.798 1.00 20.00 C HETATM 113 CB2 AIB A 9 11.251 2.233 -1.425 1.00 20.00 C HETATM 114 1HN AIB A 9 8.922 0.236 -1.591 1.00 20.00 H HETATM 115 1HB1 AIB A 9 12.217 -0.167 -2.917 1.00 20.00 H HETATM 116 2HB1 AIB A 9 10.937 0.849 -3.554 1.00 20.00 H HETATM 117 3HB1 AIB A 9 10.529 -0.733 -2.917 1.00 20.00 H HETATM 118 1HB2 AIB A 9 10.773 2.696 -0.569 1.00 20.00 H HETATM 119 2HB2 AIB A 9 10.855 2.673 -2.320 1.00 20.00 H HETATM 120 3HB2 AIB A 9 12.322 2.405 -1.397 1.00 20.00 H HETATM 121 N AIB A 10 11.723 -1.141 0.035 1.00 20.00 N HETATM 122 CA AIB A 10 12.631 -1.859 0.941 1.00 20.00 C HETATM 123 C AIB A 10 14.010 -2.093 0.288 1.00 20.00 C HETATM 124 O1 AIB A 10 15.030 -1.923 0.956 1.00 20.00 O HETATM 125 CB1 AIB A 10 12.866 -1.041 2.210 1.00 20.00 C HETATM 126 CB2 AIB A 10 12.057 -3.234 1.281 1.00 20.00 C HETATM 127 1HN AIB A 10 10.871 -1.589 -0.184 1.00 20.00 H HETATM 128 1HB1 AIB A 10 11.930 -0.602 2.536 1.00 20.00 H HETATM 129 2HB1 AIB A 10 13.569 -0.252 2.018 1.00 20.00 H HETATM 130 3HB1 AIB A 10 13.270 -1.685 2.986 1.00 20.00 H HETATM 131 1HB2 AIB A 10 11.228 -3.119 1.972 1.00 20.00 H HETATM 132 2HB2 AIB A 10 12.810 -3.845 1.744 1.00 20.00 H HETATM 133 3HB2 AIB A 10 11.725 -3.721 0.370 1.00 20.00 H HETATM 134 N HYP A 11 14.071 -2.498 -1.018 1.00 20.00 N HETATM 135 CA HYP A 11 15.389 -2.735 -1.638 1.00 20.00 C HETATM 136 C HYP A 11 16.132 -1.446 -1.988 1.00 20.00 C HETATM 137 O HYP A 11 17.174 -1.484 -2.645 1.00 20.00 O HETATM 138 CB HYP A 11 15.080 -3.522 -2.922 1.00 20.00 C HETATM 139 CG HYP A 11 13.663 -4.050 -2.749 1.00 20.00 C HETATM 140 CD HYP A 11 13.009 -2.943 -1.956 1.00 20.00 C HETATM 141 OD HYP A 11 13.647 -5.223 -1.953 1.00 20.00 O HETATM 142 HA HYP A 11 16.016 -3.335 -0.997 1.00 20.00 H HETATM 143 1HB HYP A 11 15.790 -4.329 -3.029 1.00 20.00 H HETATM 144 2HB HYP A 11 15.151 -2.862 -3.775 1.00 20.00 H HETATM 145 1HD HYP A 11 12.712 -2.137 -2.612 1.00 20.00 H HETATM 146 2HD HYP A 11 12.155 -3.325 -1.419 1.00 20.00 H HETATM 147 HOD HYP A 11 13.300 -5.951 -2.475 1.00 20.00 H HETATM 148 HG HYP A 11 13.200 -4.094 -3.724 1.00 20.00 H ATOM 149 N GLN A 12 15.605 -0.307 -1.551 1.00 20.00 N ATOM 150 CA GLN A 12 16.243 0.975 -1.833 1.00 20.00 C ATOM 151 C GLN A 12 17.171 1.387 -0.694 1.00 20.00 C ATOM 152 O GLN A 12 17.968 2.327 -0.855 1.00 20.00 O ATOM 153 CB GLN A 12 15.193 2.065 -2.068 1.00 20.00 C ATOM 154 CG GLN A 12 14.738 2.180 -3.514 1.00 20.00 C ATOM 155 CD GLN A 12 15.871 1.985 -4.501 1.00 20.00 C ATOM 156 OE1 GLN A 12 15.847 1.064 -5.318 1.00 20.00 O ATOM 157 NE2 GLN A 12 16.873 2.853 -4.428 1.00 20.00 N ATOM 158 H GLN A 12 14.774 -0.327 -1.032 1.00 20.00 H ATOM 159 HA GLN A 12 16.833 0.858 -2.728 1.00 20.00 H ATOM 160 1HB GLN A 12 14.329 1.853 -1.457 1.00 20.00 H ATOM 161 2HB GLN A 12 15.608 3.017 -1.769 1.00 20.00 H ATOM 162 1HG GLN A 12 13.985 1.428 -3.702 1.00 20.00 H ATOM 163 2HG GLN A 12 14.312 3.160 -3.666 1.00 20.00 H ATOM 164 1HE2 GLN A 12 16.825 3.560 -3.752 1.00 20.00 H ATOM 165 2HE2 GLN A 12 17.622 2.750 -5.052 1.00 20.00 H HETATM 166 N DIV A 13 17.046 0.665 0.444 1.00 20.00 N HETATM 167 CA DIV A 13 17.872 0.934 1.640 1.00 20.00 C HETATM 168 CB1 DIV A 13 17.231 1.888 2.619 1.00 20.00 C HETATM 169 CG1 DIV A 13 16.820 3.201 1.973 1.00 20.00 C HETATM 170 CB2 DIV A 13 17.896 -0.197 2.659 1.00 20.00 C HETATM 171 C DIV A 13 19.316 1.311 1.226 1.00 20.00 C HETATM 172 O DIV A 13 19.878 2.223 1.828 1.00 20.00 O HETATM 173 1HN DIV A 13 16.387 -0.062 0.475 1.00 20.00 H HETATM 174 1HB1 DIV A 13 17.929 2.116 3.412 1.00 20.00 H HETATM 175 2HB1 DIV A 13 16.343 1.444 3.050 1.00 20.00 H HETATM 176 1HG1 DIV A 13 16.140 3.013 1.152 1.00 20.00 H HETATM 177 2HG1 DIV A 13 17.697 3.715 1.606 1.00 20.00 H HETATM 178 3HG1 DIV A 13 16.325 3.820 2.708 1.00 20.00 H HETATM 179 1HB2 DIV A 13 16.892 -0.400 3.000 1.00 20.00 H HETATM 180 2HB2 DIV A 13 18.508 0.086 3.504 1.00 20.00 H HETATM 181 3HB2 DIV A 13 18.305 -1.088 2.207 1.00 20.00 H HETATM 182 N HYP A 14 19.918 0.621 0.189 1.00 20.00 N HETATM 183 CA HYP A 14 21.279 0.936 -0.273 1.00 20.00 C HETATM 184 C HYP A 14 21.970 2.091 0.474 1.00 20.00 C HETATM 185 O HYP A 14 22.996 1.845 1.126 1.00 20.00 O HETATM 186 CB HYP A 14 21.992 -0.382 0.023 1.00 20.00 C HETATM 187 CG HYP A 14 21.000 -1.448 -0.436 1.00 20.00 C HETATM 188 CD HYP A 14 19.642 -0.789 -0.227 1.00 20.00 C HETATM 189 OD HYP A 14 21.059 -2.590 0.403 1.00 20.00 O HETATM 190 HA HYP A 14 21.303 1.118 -1.352 1.00 20.00 H HETATM 191 1HB HYP A 14 22.203 -0.465 1.088 1.00 20.00 H HETATM 192 2HB HYP A 14 22.914 -0.431 -0.538 1.00 20.00 H HETATM 193 1HD HYP A 14 19.079 -0.806 -1.148 1.00 20.00 H HETATM 194 2HD HYP A 14 19.102 -1.314 0.545 1.00 20.00 H HETATM 195 HOD HYP A 14 21.674 -3.223 0.027 1.00 20.00 H HETATM 196 HG HYP A 14 21.145 -1.598 -1.496 1.00 20.00 H HETATM 197 N AIB A 15 21.391 3.330 0.365 1.00 20.00 N HETATM 198 CA AIB A 15 21.942 4.526 1.025 1.00 20.00 C HETATM 199 C AIB A 15 23.333 4.252 1.633 1.00 20.00 C HETATM 200 O1 AIB A 15 24.337 4.682 1.065 1.00 20.00 O HETATM 201 CB1 AIB A 15 22.119 5.643 -0.004 1.00 20.00 C HETATM 202 CB2 AIB A 15 21.026 4.976 2.162 1.00 20.00 C HETATM 203 1HN AIB A 15 20.571 3.455 -0.160 1.00 20.00 H HETATM 204 1HB1 AIB A 15 21.145 6.013 -0.306 1.00 20.00 H HETATM 205 2HB1 AIB A 15 22.631 5.271 -0.870 1.00 20.00 H HETATM 206 3HB1 AIB A 15 22.708 6.444 0.430 1.00 20.00 H HETATM 207 1HB2 AIB A 15 20.454 4.128 2.523 1.00 20.00 H HETATM 208 2HB2 AIB A 15 20.344 5.728 1.813 1.00 20.00 H HETATM 209 3HB2 AIB A 15 21.625 5.396 2.965 1.00 20.00 H ATOM 210 N PRO A 16 23.419 3.544 2.802 1.00 20.00 N ATOM 211 CA PRO A 16 24.739 3.289 3.395 1.00 20.00 C ATOM 212 C PRO A 16 25.815 3.021 2.349 1.00 20.00 C ATOM 213 O PRO A 16 26.984 3.347 2.553 1.00 20.00 O ATOM 214 CB PRO A 16 24.509 2.047 4.247 1.00 20.00 C ATOM 215 CG PRO A 16 23.115 2.193 4.733 1.00 20.00 C ATOM 216 CD PRO A 16 22.358 2.899 3.638 1.00 20.00 C ATOM 217 HA PRO A 16 25.052 4.108 4.027 1.00 20.00 H ATOM 218 1HB PRO A 16 24.630 1.161 3.641 1.00 20.00 H ATOM 219 2HB PRO A 16 25.213 2.031 5.066 1.00 20.00 H ATOM 220 1HG PRO A 16 22.686 1.218 4.917 1.00 20.00 H ATOM 221 2HG PRO A 16 23.102 2.785 5.637 1.00 20.00 H ATOM 222 1HD PRO A 16 21.794 2.187 3.055 1.00 20.00 H ATOM 223 2HD PRO A 16 21.699 3.642 4.061 1.00 20.00 H HETATM 224 C PDH A 17 26.669 0.551 0.218 1.00 20.00 C HETATM 225 O PDH A 17 28.037 0.263 -0.011 1.00 20.00 O HETATM 226 CA PDH A 17 26.390 2.102 0.117 1.00 20.00 C HETATM 227 N PDH A 17 25.418 2.425 1.232 1.00 20.00 N HETATM 228 CB PDH A 17 26.278 2.811 -1.194 1.00 20.00 C HETATM 229 CG PDH A 17 26.410 4.306 -1.091 1.00 20.00 C HETATM 230 CD1 PDH A 17 27.411 4.876 -0.311 1.00 20.00 C HETATM 231 CD2 PDH A 17 25.535 5.142 -1.774 1.00 20.00 C HETATM 232 CE1 PDH A 17 27.536 6.254 -0.216 1.00 20.00 C HETATM 233 CE2 PDH A 17 25.655 6.521 -1.683 1.00 20.00 C HETATM 234 CZ PDH A 17 26.656 7.077 -0.902 1.00 20.00 C HETATM 235 H1 PDH A 17 26.075 0.031 -0.519 1.00 20.00 H HETATM 236 H2 PDH A 17 26.403 0.203 1.205 1.00 20.00 H HETATM 237 HO PDH A 17 28.185 0.137 -0.951 1.00 20.00 H HETATM 238 HA PDH A 17 27.212 2.594 0.244 1.00 20.00 H HETATM 239 1HB PDH A 17 25.313 2.593 -1.631 1.00 20.00 H HETATM 240 2HB PDH A 17 27.054 2.454 -1.855 1.00 20.00 H HETATM 241 HD1 PDH A 17 28.097 4.237 0.224 1.00 20.00 H HETATM 242 HD2 PDH A 17 24.753 4.710 -2.382 1.00 20.00 H HETATM 243 HE1 PDH A 17 28.317 6.686 0.393 1.00 20.00 H HETATM 244 HE2 PDH A 17 24.970 7.160 -2.219 1.00 20.00 H HETATM 245 HZ PDH A 17 26.753 8.150 -0.830 1.00 20.00 H HETATM 246 HN PDH A 17 24.473 2.187 1.126 1.00 20.00 H TER 247 PDH A 17 ENDMDL MODEL 8 HETATM 1 C ACE A 1 0.494 4.746 1.477 1.00 20.00 C HETATM 2 O ACE A 1 -0.200 4.527 2.471 1.00 20.00 O HETATM 3 CH3 ACE A 1 1.682 4.702 2.461 1.00 20.00 C HETATM 4 1H ACE A 1 1.705 3.748 2.969 1.00 20.00 H HETATM 5 2H ACE A 1 1.576 5.489 3.196 1.00 20.00 H HETATM 6 3H ACE A 1 2.609 4.843 1.925 1.00 20.00 H ATOM 7 N PHE A 2 0.725 3.795 0.551 1.00 20.00 N ATOM 8 CA PHE A 2 0.166 2.492 0.935 1.00 20.00 C ATOM 9 C PHE A 2 1.230 1.565 1.524 1.00 20.00 C ATOM 10 O PHE A 2 2.373 1.537 1.033 1.00 20.00 O ATOM 11 CB PHE A 2 -0.488 1.818 -0.275 1.00 20.00 C ATOM 12 CG PHE A 2 -1.676 0.975 0.090 1.00 20.00 C ATOM 13 CD1 PHE A 2 -1.595 -0.407 0.048 1.00 20.00 C ATOM 14 CD2 PHE A 2 -2.870 1.562 0.476 1.00 20.00 C ATOM 15 CE1 PHE A 2 -2.683 -1.190 0.384 1.00 20.00 C ATOM 16 CE2 PHE A 2 -3.962 0.785 0.814 1.00 20.00 C ATOM 17 CZ PHE A 2 -3.867 -0.592 0.769 1.00 20.00 C ATOM 18 H PHE A 2 1.672 3.537 0.544 1.00 20.00 H ATOM 19 HA PHE A 2 -0.589 2.665 1.689 1.00 20.00 H ATOM 20 1HB PHE A 2 -0.815 2.573 -0.977 1.00 20.00 H ATOM 21 2HB PHE A 2 0.238 1.178 -0.756 1.00 20.00 H ATOM 22 HD1 PHE A 2 -0.668 -0.874 -0.251 1.00 20.00 H ATOM 23 HD2 PHE A 2 -2.945 2.640 0.513 1.00 20.00 H ATOM 24 HE1 PHE A 2 -2.606 -2.266 0.346 1.00 20.00 H ATOM 25 HE2 PHE A 2 -4.887 1.253 1.113 1.00 20.00 H ATOM 26 HZ PHE A 2 -4.719 -1.202 1.032 1.00 20.00 H HETATM 27 N AIB A 3 0.819 0.815 2.572 1.00 20.00 N HETATM 28 CA AIB A 3 1.708 -0.133 3.256 1.00 20.00 C HETATM 29 C AIB A 3 2.088 -1.307 2.331 1.00 20.00 C HETATM 30 O1 AIB A 3 1.709 -2.451 2.633 1.00 20.00 O HETATM 31 CB1 AIB A 3 1.005 -0.736 4.470 1.00 20.00 C HETATM 32 CB2 AIB A 3 3.006 0.559 3.667 1.00 20.00 C HETATM 33 1HN AIB A 3 -0.105 0.902 2.888 1.00 20.00 H HETATM 34 1HB1 AIB A 3 1.408 -1.724 4.664 1.00 20.00 H HETATM 35 2HB1 AIB A 3 -0.047 -0.821 4.282 1.00 20.00 H HETATM 36 3HB1 AIB A 3 1.157 -0.090 5.329 1.00 20.00 H HETATM 37 1HB2 AIB A 3 3.852 0.007 3.272 1.00 20.00 H HETATM 38 2HB2 AIB A 3 3.084 0.590 4.737 1.00 20.00 H HETATM 39 3HB2 AIB A 3 3.009 1.576 3.288 1.00 20.00 H HETATM 40 N AIB A 4 2.826 -0.994 1.222 1.00 20.00 N HETATM 41 CA AIB A 4 3.253 -2.015 0.254 1.00 20.00 C HETATM 42 C AIB A 4 4.239 -1.427 -0.777 1.00 20.00 C HETATM 43 O1 AIB A 4 5.138 -2.158 -1.221 1.00 20.00 O HETATM 44 CB1 AIB A 4 3.977 -3.157 0.965 1.00 20.00 C HETATM 45 CB2 AIB A 4 2.046 -2.538 -0.524 1.00 20.00 C HETATM 46 1HN AIB A 4 3.094 -0.065 1.040 1.00 20.00 H HETATM 47 1HB1 AIB A 4 3.907 -3.018 2.038 1.00 20.00 H HETATM 48 2HB1 AIB A 4 5.013 -3.170 0.684 1.00 20.00 H HETATM 49 3HB1 AIB A 4 3.526 -4.102 0.679 1.00 20.00 H HETATM 50 1HB2 AIB A 4 1.228 -2.725 0.164 1.00 20.00 H HETATM 51 2HB2 AIB A 4 2.294 -3.456 -1.023 1.00 20.00 H HETATM 52 3HB2 AIB A 4 1.751 -1.805 -1.267 1.00 20.00 H HETATM 53 N AIB A 5 4.043 -0.116 -1.134 1.00 20.00 N HETATM 54 CA AIB A 5 4.907 0.570 -2.107 1.00 20.00 C HETATM 55 C AIB A 5 6.302 -0.082 -2.176 1.00 20.00 C HETATM 56 O1 AIB A 5 7.207 0.375 -1.458 1.00 20.00 O HETATM 57 CB1 AIB A 5 4.303 0.479 -3.507 1.00 20.00 C HETATM 58 CB2 AIB A 5 5.116 2.028 -1.698 1.00 20.00 C HETATM 59 1HN AIB A 5 3.307 0.416 -0.747 1.00 20.00 H HETATM 60 1HB1 AIB A 5 3.454 1.151 -3.579 1.00 20.00 H HETATM 61 2HB1 AIB A 5 3.969 -0.521 -3.703 1.00 20.00 H HETATM 62 3HB1 AIB A 5 5.057 0.745 -4.243 1.00 20.00 H HETATM 63 1HB2 AIB A 5 4.168 2.458 -1.396 1.00 20.00 H HETATM 64 2HB2 AIB A 5 5.503 2.592 -2.527 1.00 20.00 H HETATM 65 3HB2 AIB A 5 5.830 2.075 -0.882 1.00 20.00 H HETATM 66 N DIV A 6 6.447 -1.133 -3.045 1.00 20.00 N HETATM 67 CA DIV A 6 7.732 -1.841 -3.217 1.00 20.00 C HETATM 68 CB1 DIV A 6 7.618 -3.131 -3.976 1.00 20.00 C HETATM 69 CG1 DIV A 6 6.791 -4.178 -3.249 1.00 20.00 C HETATM 70 CB2 DIV A 6 8.635 -1.233 -4.281 1.00 20.00 C HETATM 71 C DIV A 6 8.484 -1.937 -1.867 1.00 20.00 C HETATM 72 O DIV A 6 9.569 -1.376 -1.719 1.00 20.00 O HETATM 73 1HN DIV A 6 5.692 -1.449 -3.595 1.00 20.00 H HETATM 74 1HB1 DIV A 6 8.602 -3.548 -4.140 1.00 20.00 H HETATM 75 2HB1 DIV A 6 7.148 -2.947 -4.932 1.00 20.00 H HETATM 76 1HG1 DIV A 6 7.262 -4.425 -2.307 1.00 20.00 H HETATM 77 2HG1 DIV A 6 6.726 -5.068 -3.859 1.00 20.00 H HETATM 78 3HG1 DIV A 6 5.794 -3.799 -3.066 1.00 20.00 H HETATM 79 1HB2 DIV A 6 8.106 -1.179 -5.221 1.00 20.00 H HETATM 80 2HB2 DIV A 6 9.517 -1.844 -4.405 1.00 20.00 H HETATM 81 3HB2 DIV A 6 8.932 -0.239 -3.982 1.00 20.00 H ATOM 82 N GLY A 7 7.891 -2.653 -0.888 1.00 20.00 N ATOM 83 CA GLY A 7 8.545 -2.781 0.402 1.00 20.00 C ATOM 84 C GLY A 7 8.583 -1.474 1.158 1.00 20.00 C ATOM 85 O GLY A 7 9.483 -1.252 1.951 1.00 20.00 O ATOM 86 H GLY A 7 7.019 -3.092 -1.032 1.00 20.00 H ATOM 87 1HA GLY A 7 9.559 -3.118 0.243 1.00 20.00 H ATOM 88 2HA GLY A 7 8.025 -3.514 0.997 1.00 20.00 H ATOM 89 N LEU A 8 7.605 -0.609 0.903 1.00 20.00 N ATOM 90 CA LEU A 8 7.529 0.695 1.558 1.00 20.00 C ATOM 91 C LEU A 8 8.911 1.339 1.713 1.00 20.00 C ATOM 92 O LEU A 8 9.146 2.063 2.694 1.00 20.00 O ATOM 93 CB LEU A 8 6.825 0.594 2.921 1.00 20.00 C ATOM 94 CG LEU A 8 7.465 -0.353 3.940 1.00 20.00 C ATOM 95 CD1 LEU A 8 8.174 0.441 5.025 1.00 20.00 C ATOM 96 CD2 LEU A 8 6.417 -1.273 4.549 1.00 20.00 C ATOM 97 H LEU A 8 6.916 -0.848 0.247 1.00 20.00 H ATOM 98 HA LEU A 8 6.936 1.332 0.918 1.00 20.00 H ATOM 99 1HB LEU A 8 6.798 1.583 3.355 1.00 20.00 H ATOM 100 2HB LEU A 8 5.809 0.269 2.752 1.00 20.00 H ATOM 101 HG LEU A 8 8.196 -0.965 3.446 1.00 20.00 H ATOM 102 1HD1 LEU A 8 8.421 1.422 4.650 1.00 20.00 H ATOM 103 2HD1 LEU A 8 7.526 0.534 5.884 1.00 20.00 H ATOM 104 3HD1 LEU A 8 9.079 -0.073 5.312 1.00 20.00 H ATOM 105 1HD2 LEU A 8 5.618 -1.429 3.839 1.00 20.00 H ATOM 106 2HD2 LEU A 8 6.870 -2.221 4.797 1.00 20.00 H ATOM 107 3HD2 LEU A 8 6.017 -0.820 5.445 1.00 20.00 H HETATM 108 N AIB A 9 9.789 1.088 0.708 1.00 20.00 N HETATM 109 CA AIB A 9 11.142 1.667 0.684 1.00 20.00 C HETATM 110 C AIB A 9 12.085 0.955 1.676 1.00 20.00 C HETATM 111 O1 AIB A 9 13.272 1.320 1.731 1.00 20.00 O HETATM 112 CB1 AIB A 9 11.762 1.530 -0.706 1.00 20.00 C HETATM 113 CB2 AIB A 9 11.080 3.133 1.109 1.00 20.00 C HETATM 114 1HN AIB A 9 9.507 0.525 -0.043 1.00 20.00 H HETATM 115 1HB1 AIB A 9 12.069 0.502 -0.860 1.00 20.00 H HETATM 116 2HB1 AIB A 9 12.622 2.166 -0.791 1.00 20.00 H HETATM 117 3HB1 AIB A 9 11.036 1.823 -1.455 1.00 20.00 H HETATM 118 1HB2 AIB A 9 10.118 3.549 0.830 1.00 20.00 H HETATM 119 2HB2 AIB A 9 11.855 3.695 0.622 1.00 20.00 H HETATM 120 3HB2 AIB A 9 11.221 3.203 2.182 1.00 20.00 H HETATM 121 N AIB A 10 11.542 -0.042 2.437 1.00 20.00 N HETATM 122 CA AIB A 10 12.332 -0.792 3.423 1.00 20.00 C HETATM 123 C AIB A 10 13.539 -1.488 2.762 1.00 20.00 C HETATM 124 O1 AIB A 10 14.659 -1.351 3.253 1.00 20.00 O HETATM 125 CB1 AIB A 10 12.893 0.160 4.477 1.00 20.00 C HETATM 126 CB2 AIB A 10 11.479 -1.881 4.073 1.00 20.00 C HETATM 127 1HN AIB A 10 10.588 -0.295 2.349 1.00 20.00 H HETATM 128 1HB1 AIB A 10 12.192 0.972 4.640 1.00 20.00 H HETATM 129 2HB1 AIB A 10 13.827 0.572 4.144 1.00 20.00 H HETATM 130 3HB1 AIB A 10 13.062 -0.384 5.400 1.00 20.00 H HETATM 131 1HB2 AIB A 10 11.861 -2.855 3.788 1.00 20.00 H HETATM 132 2HB2 AIB A 10 10.461 -1.802 3.744 1.00 20.00 H HETATM 133 3HB2 AIB A 10 11.506 -1.766 5.152 1.00 20.00 H HETATM 134 N HYP A 11 13.335 -2.248 1.646 1.00 20.00 N HETATM 135 CA HYP A 11 14.482 -2.922 1.018 1.00 20.00 C HETATM 136 C HYP A 11 15.267 -2.013 0.074 1.00 20.00 C HETATM 137 O HYP A 11 15.900 -2.491 -0.868 1.00 20.00 O HETATM 138 CB HYP A 11 13.863 -4.088 0.226 1.00 20.00 C HETATM 139 CG HYP A 11 12.384 -4.126 0.605 1.00 20.00 C HETATM 140 CD HYP A 11 12.097 -2.687 0.963 1.00 20.00 C HETATM 141 OD HYP A 11 12.174 -4.912 1.767 1.00 20.00 O HETATM 142 HA HYP A 11 15.156 -3.316 1.763 1.00 20.00 H HETATM 143 1HB HYP A 11 14.359 -5.009 0.497 1.00 20.00 H HETATM 144 2HB HYP A 11 13.990 -3.909 -0.832 1.00 20.00 H HETATM 145 1HD HYP A 11 11.921 -2.105 0.071 1.00 20.00 H HETATM 146 2HD HYP A 11 11.246 -2.629 1.626 1.00 20.00 H HETATM 147 HOD HYP A 11 13.011 -5.249 2.094 1.00 20.00 H HETATM 148 HG HYP A 11 11.819 -4.376 -0.281 1.00 20.00 H ATOM 149 N GLN A 12 15.229 -0.706 0.322 1.00 20.00 N ATOM 150 CA GLN A 12 15.947 0.242 -0.524 1.00 20.00 C ATOM 151 C GLN A 12 17.150 0.843 0.202 1.00 20.00 C ATOM 152 O GLN A 12 17.869 1.669 -0.384 1.00 20.00 O ATOM 153 CB GLN A 12 15.004 1.351 -0.992 1.00 20.00 C ATOM 154 CG GLN A 12 14.183 0.973 -2.214 1.00 20.00 C ATOM 155 CD GLN A 12 15.041 0.503 -3.372 1.00 20.00 C ATOM 156 OE1 GLN A 12 16.107 1.058 -3.635 1.00 20.00 O ATOM 157 NE2 GLN A 12 14.574 -0.526 -4.069 1.00 20.00 N ATOM 158 H GLN A 12 14.710 -0.372 1.084 1.00 20.00 H ATOM 159 HA GLN A 12 16.304 -0.298 -1.388 1.00 20.00 H ATOM 160 1HB GLN A 12 14.324 1.594 -0.188 1.00 20.00 H ATOM 161 2HB GLN A 12 15.589 2.227 -1.235 1.00 20.00 H ATOM 162 1HG GLN A 12 13.506 0.176 -1.945 1.00 20.00 H ATOM 163 2HG GLN A 12 13.614 1.836 -2.532 1.00 20.00 H ATOM 164 1HE2 GLN A 12 13.716 -0.916 -3.799 1.00 20.00 H ATOM 165 2HE2 GLN A 12 15.106 -0.854 -4.824 1.00 20.00 H HETATM 166 N DIV A 13 17.344 0.416 1.473 1.00 20.00 N HETATM 167 CA DIV A 13 18.463 0.907 2.307 1.00 20.00 C HETATM 168 CB1 DIV A 13 18.088 2.147 3.104 1.00 20.00 C HETATM 169 CG1 DIV A 13 17.065 3.007 2.379 1.00 20.00 C HETATM 170 CB2 DIV A 13 18.758 0.078 3.552 1.00 20.00 C HETATM 171 C DIV A 13 19.750 1.054 1.457 1.00 20.00 C HETATM 172 O DIV A 13 20.408 2.086 1.577 1.00 20.00 O HETATM 173 1HN DIV A 13 16.723 -0.236 1.860 1.00 20.00 H HETATM 174 1HB1 DIV A 13 18.967 2.751 3.272 1.00 20.00 H HETATM 175 2HB1 DIV A 13 17.656 1.876 4.060 1.00 20.00 H HETATM 176 1HG1 DIV A 13 16.856 3.885 2.971 1.00 20.00 H HETATM 177 2HG1 DIV A 13 16.151 2.445 2.238 1.00 20.00 H HETATM 178 3HG1 DIV A 13 17.454 3.311 1.416 1.00 20.00 H HETATM 179 1HB2 DIV A 13 19.198 -0.864 3.268 1.00 20.00 H HETATM 180 2HB2 DIV A 13 17.841 -0.109 4.090 1.00 20.00 H HETATM 181 3HB2 DIV A 13 19.446 0.611 4.193 1.00 20.00 H HETATM 182 N HYP A 14 20.113 0.033 0.599 1.00 20.00 N HETATM 183 CA HYP A 14 21.315 0.119 -0.239 1.00 20.00 C HETATM 184 C HYP A 14 22.113 1.429 -0.114 1.00 20.00 C HETATM 185 O HYP A 14 23.274 1.380 0.320 1.00 20.00 O HETATM 186 CB HYP A 14 22.127 -1.048 0.323 1.00 20.00 C HETATM 187 CG HYP A 14 21.097 -2.164 0.512 1.00 20.00 C HETATM 188 CD HYP A 14 19.777 -1.417 0.686 1.00 20.00 C HETATM 189 OD HYP A 14 21.348 -2.882 1.710 1.00 20.00 O HETATM 190 HA HYP A 14 21.087 -0.083 -1.292 1.00 20.00 H HETATM 191 1HB HYP A 14 22.584 -0.766 1.271 1.00 20.00 H HETATM 192 2HB HYP A 14 22.893 -1.332 -0.384 1.00 20.00 H HETATM 193 1HD HYP A 14 19.093 -1.692 -0.105 1.00 20.00 H HETATM 194 2HD HYP A 14 19.348 -1.654 1.644 1.00 20.00 H HETATM 195 HOD HYP A 14 22.153 -3.398 1.616 1.00 20.00 H HETATM 196 HG HYP A 14 21.051 -2.727 -0.408 1.00 20.00 H HETATM 197 N AIB A 15 21.472 2.579 -0.498 1.00 20.00 N HETATM 198 CA AIB A 15 22.112 3.903 -0.441 1.00 20.00 C HETATM 199 C AIB A 15 23.629 3.790 -0.184 1.00 20.00 C HETATM 200 O1 AIB A 15 24.412 3.901 -1.127 1.00 20.00 O HETATM 201 CB1 AIB A 15 21.939 4.609 -1.786 1.00 20.00 C HETATM 202 CB2 AIB A 15 21.516 4.738 0.692 1.00 20.00 C HETATM 203 1HN AIB A 15 20.549 2.549 -0.825 1.00 20.00 H HETATM 204 1HB1 AIB A 15 22.406 5.588 -1.744 1.00 20.00 H HETATM 205 2HB1 AIB A 15 20.896 4.735 -2.010 1.00 20.00 H HETATM 206 3HB1 AIB A 15 22.393 4.010 -2.571 1.00 20.00 H HETATM 207 1HB2 AIB A 15 22.296 5.340 1.144 1.00 20.00 H HETATM 208 2HB2 AIB A 15 21.094 4.097 1.443 1.00 20.00 H HETATM 209 3HB2 AIB A 15 20.731 5.374 0.295 1.00 20.00 H ATOM 210 N PRO A 16 24.074 3.576 1.095 1.00 20.00 N ATOM 211 CA PRO A 16 25.518 3.474 1.350 1.00 20.00 C ATOM 212 C PRO A 16 26.273 2.765 0.228 1.00 20.00 C ATOM 213 O PRO A 16 27.444 3.047 -0.018 1.00 20.00 O ATOM 214 CB PRO A 16 25.590 2.658 2.635 1.00 20.00 C ATOM 215 CG PRO A 16 24.387 3.072 3.401 1.00 20.00 C ATOM 216 CD PRO A 16 23.324 3.397 2.381 1.00 20.00 C ATOM 217 HA PRO A 16 25.958 4.447 1.516 1.00 20.00 H ATOM 218 1HB PRO A 16 25.569 1.604 2.400 1.00 20.00 H ATOM 219 2HB PRO A 16 26.497 2.897 3.168 1.00 20.00 H ATOM 220 1HG PRO A 16 24.060 2.262 4.035 1.00 20.00 H ATOM 221 2HG PRO A 16 24.614 3.945 3.993 1.00 20.00 H ATOM 222 1HD PRO A 16 22.621 2.581 2.302 1.00 20.00 H ATOM 223 2HD PRO A 16 22.812 4.306 2.658 1.00 20.00 H HETATM 224 C PDH A 17 25.402 -0.273 -1.704 1.00 20.00 C HETATM 225 O PDH A 17 25.907 -1.096 -2.741 1.00 20.00 O HETATM 226 CA PDH A 17 26.234 1.063 -1.583 1.00 20.00 C HETATM 227 N PDH A 17 25.599 1.841 -0.447 1.00 20.00 N HETATM 228 CB PDH A 17 26.755 1.798 -2.788 1.00 20.00 C HETATM 229 CG PDH A 17 28.194 2.243 -2.689 1.00 20.00 C HETATM 230 CD1 PDH A 17 29.225 1.359 -2.980 1.00 20.00 C HETATM 231 CD2 PDH A 17 28.510 3.542 -2.306 1.00 20.00 C HETATM 232 CE1 PDH A 17 30.548 1.761 -2.891 1.00 20.00 C HETATM 233 CE2 PDH A 17 29.830 3.949 -2.215 1.00 20.00 C HETATM 234 CZ PDH A 17 30.851 3.058 -2.508 1.00 20.00 C HETATM 235 H1 PDH A 17 24.372 -0.035 -1.920 1.00 20.00 H HETATM 236 H2 PDH A 17 25.457 -0.814 -0.770 1.00 20.00 H HETATM 237 HO PDH A 17 26.546 -1.713 -2.377 1.00 20.00 H HETATM 238 HA PDH A 17 27.149 0.859 -1.367 1.00 20.00 H HETATM 239 1HB PDH A 17 26.149 2.676 -2.949 1.00 20.00 H HETATM 240 2HB PDH A 17 26.673 1.154 -3.650 1.00 20.00 H HETATM 241 HD1 PDH A 17 28.988 0.349 -3.280 1.00 20.00 H HETATM 242 HD2 PDH A 17 27.715 4.235 -2.077 1.00 20.00 H HETATM 243 HE1 PDH A 17 31.341 1.064 -3.119 1.00 20.00 H HETATM 244 HE2 PDH A 17 30.065 4.960 -1.916 1.00 20.00 H HETATM 245 HZ PDH A 17 31.881 3.373 -2.437 1.00 20.00 H HETATM 246 HN PDH A 17 24.668 1.655 -0.205 1.00 20.00 H TER 247 PDH A 17 ENDMDL MODEL 9 HETATM 1 C ACE A 1 1.691 4.747 0.897 1.00 20.00 C HETATM 2 O ACE A 1 0.728 5.209 1.509 1.00 20.00 O HETATM 3 CH3 ACE A 1 2.542 5.685 1.786 1.00 20.00 C HETATM 4 1H ACE A 1 2.333 5.494 2.828 1.00 20.00 H HETATM 5 2H ACE A 1 2.301 6.716 1.561 1.00 20.00 H HETATM 6 3H ACE A 1 3.591 5.520 1.597 1.00 20.00 H ATOM 7 N PHE A 2 2.140 3.497 1.131 1.00 20.00 N ATOM 8 CA PHE A 2 1.435 2.859 2.242 1.00 20.00 C ATOM 9 C PHE A 2 2.313 1.812 2.920 1.00 20.00 C ATOM 10 O PHE A 2 3.359 1.431 2.367 1.00 20.00 O ATOM 11 CB PHE A 2 0.141 2.205 1.747 1.00 20.00 C ATOM 12 CG PHE A 2 -0.987 2.271 2.740 1.00 20.00 C ATOM 13 CD1 PHE A 2 -1.355 1.149 3.466 1.00 20.00 C ATOM 14 CD2 PHE A 2 -1.678 3.453 2.946 1.00 20.00 C ATOM 15 CE1 PHE A 2 -2.392 1.206 4.379 1.00 20.00 C ATOM 16 CE2 PHE A 2 -2.717 3.517 3.857 1.00 20.00 C ATOM 17 CZ PHE A 2 -3.074 2.392 4.575 1.00 20.00 C ATOM 18 H PHE A 2 3.033 3.514 1.540 1.00 20.00 H ATOM 19 HA PHE A 2 1.190 3.625 2.963 1.00 20.00 H ATOM 20 1HB PHE A 2 -0.184 2.698 0.842 1.00 20.00 H ATOM 21 2HB PHE A 2 0.335 1.164 1.533 1.00 20.00 H ATOM 22 HD1 PHE A 2 -0.821 0.222 3.314 1.00 20.00 H ATOM 23 HD2 PHE A 2 -1.401 4.334 2.386 1.00 20.00 H ATOM 24 HE1 PHE A 2 -2.669 0.325 4.939 1.00 20.00 H ATOM 25 HE2 PHE A 2 -3.248 4.445 4.008 1.00 20.00 H ATOM 26 HZ PHE A 2 -3.884 2.439 5.287 1.00 20.00 H HETATM 27 N AIB A 3 1.862 1.371 4.117 1.00 20.00 N HETATM 28 CA AIB A 3 2.586 0.363 4.905 1.00 20.00 C HETATM 29 C AIB A 3 2.655 -0.982 4.158 1.00 20.00 C HETATM 30 O1 AIB A 3 2.094 -1.972 4.659 1.00 20.00 O HETATM 31 CB1 AIB A 3 1.868 0.104 6.227 1.00 20.00 C HETATM 32 CB2 AIB A 3 4.026 0.812 5.149 1.00 20.00 C HETATM 33 1HN AIB A 3 1.024 1.732 4.473 1.00 20.00 H HETATM 34 1HB1 AIB A 3 1.204 -0.746 6.115 1.00 20.00 H HETATM 35 2HB1 AIB A 3 1.288 0.962 6.507 1.00 20.00 H HETATM 36 3HB1 AIB A 3 2.602 -0.089 7.001 1.00 20.00 H HETATM 37 1HB2 AIB A 3 4.591 -0.009 5.575 1.00 20.00 H HETATM 38 2HB2 AIB A 3 4.045 1.639 5.833 1.00 20.00 H HETATM 39 3HB2 AIB A 3 4.469 1.126 4.209 1.00 20.00 H HETATM 40 N AIB A 4 3.340 -0.988 2.976 1.00 20.00 N HETATM 41 CA AIB A 4 3.484 -2.199 2.159 1.00 20.00 C HETATM 42 C AIB A 4 3.939 -1.852 0.728 1.00 20.00 C HETATM 43 O1 AIB A 4 4.525 -2.723 0.065 1.00 20.00 O HETATM 44 CB1 AIB A 4 4.539 -3.125 2.763 1.00 20.00 C HETATM 45 CB2 AIB A 4 2.138 -2.914 2.040 1.00 20.00 C HETATM 46 1HN AIB A 4 3.761 -0.164 2.634 1.00 20.00 H HETATM 47 1HB1 AIB A 4 4.978 -2.651 3.635 1.00 20.00 H HETATM 48 2HB1 AIB A 4 5.315 -3.320 2.048 1.00 20.00 H HETATM 49 3HB1 AIB A 4 4.075 -4.067 3.041 1.00 20.00 H HETATM 50 1HB2 AIB A 4 1.430 -2.464 2.726 1.00 20.00 H HETATM 51 2HB2 AIB A 4 2.248 -3.953 2.287 1.00 20.00 H HETATM 52 3HB2 AIB A 4 1.777 -2.833 1.020 1.00 20.00 H HETATM 53 N AIB A 5 3.655 -0.585 0.284 1.00 20.00 N HETATM 54 CA AIB A 5 4.030 -0.123 -1.059 1.00 20.00 C HETATM 55 C AIB A 5 5.235 -0.914 -1.606 1.00 20.00 C HETATM 56 O1 AIB A 5 6.377 -0.471 -1.403 1.00 20.00 O HETATM 57 CB1 AIB A 5 2.873 -0.347 -2.032 1.00 20.00 C HETATM 58 CB2 AIB A 5 4.427 1.352 -1.022 1.00 20.00 C HETATM 59 1HN AIB A 5 3.183 0.065 0.859 1.00 20.00 H HETATM 60 1HB1 AIB A 5 3.213 -0.160 -3.045 1.00 20.00 H HETATM 61 2HB1 AIB A 5 2.066 0.323 -1.809 1.00 20.00 H HETATM 62 3HB1 AIB A 5 2.517 -1.368 -1.936 1.00 20.00 H HETATM 63 1HB2 AIB A 5 3.659 1.921 -0.510 1.00 20.00 H HETATM 64 2HB2 AIB A 5 4.530 1.733 -2.020 1.00 20.00 H HETATM 65 3HB2 AIB A 5 5.379 1.458 -0.511 1.00 20.00 H HETATM 66 N DIV A 6 4.952 -2.068 -2.288 1.00 20.00 N HETATM 67 CA DIV A 6 6.011 -2.922 -2.865 1.00 20.00 C HETATM 68 CB1 DIV A 6 5.527 -4.300 -3.252 1.00 20.00 C HETATM 69 CG1 DIV A 6 4.226 -4.291 -4.040 1.00 20.00 C HETATM 70 CB2 DIV A 6 6.411 -2.545 -4.287 1.00 20.00 C HETATM 71 C DIV A 6 7.264 -2.915 -1.955 1.00 20.00 C HETATM 72 O DIV A 6 8.334 -2.472 -2.371 1.00 20.00 O HETATM 73 1HN DIV A 6 4.022 -2.370 -2.417 1.00 20.00 H HETATM 74 1HB1 DIV A 6 5.357 -4.881 -2.357 1.00 20.00 H HETATM 75 2HB1 DIV A 6 6.273 -4.799 -3.852 1.00 20.00 H HETATM 76 1HG1 DIV A 6 4.371 -3.775 -4.976 1.00 20.00 H HETATM 77 2HG1 DIV A 6 3.453 -3.796 -3.470 1.00 20.00 H HETATM 78 3HG1 DIV A 6 3.926 -5.310 -4.240 1.00 20.00 H HETATM 79 1HB2 DIV A 6 7.004 -3.335 -4.728 1.00 20.00 H HETATM 80 2HB2 DIV A 6 6.996 -1.638 -4.267 1.00 20.00 H HETATM 81 3HB2 DIV A 6 5.530 -2.382 -4.886 1.00 20.00 H ATOM 82 N GLY A 7 7.114 -3.416 -0.709 1.00 20.00 N ATOM 83 CA GLY A 7 8.246 -3.446 0.202 1.00 20.00 C ATOM 84 C GLY A 7 8.717 -2.059 0.593 1.00 20.00 C ATOM 85 O GLY A 7 9.886 -1.863 0.926 1.00 20.00 O ATOM 86 H GLY A 7 6.242 -3.766 -0.403 1.00 20.00 H ATOM 87 1HA GLY A 7 9.062 -3.969 -0.274 1.00 20.00 H ATOM 88 2HA GLY A 7 7.962 -3.983 1.096 1.00 20.00 H ATOM 89 N LEU A 8 7.805 -1.092 0.551 1.00 20.00 N ATOM 90 CA LEU A 8 8.127 0.286 0.904 1.00 20.00 C ATOM 91 C LEU A 8 9.521 0.672 0.415 1.00 20.00 C ATOM 92 O LEU A 8 10.310 1.250 1.183 1.00 20.00 O ATOM 93 CB LEU A 8 8.026 0.498 2.418 1.00 20.00 C ATOM 94 CG LEU A 8 8.065 -0.775 3.268 1.00 20.00 C ATOM 95 CD1 LEU A 8 9.481 -1.059 3.744 1.00 20.00 C ATOM 96 CD2 LEU A 8 7.121 -0.646 4.453 1.00 20.00 C ATOM 97 H LEU A 8 6.889 -1.311 0.276 1.00 20.00 H ATOM 98 HA LEU A 8 7.405 0.925 0.416 1.00 20.00 H ATOM 99 1HB LEU A 8 8.841 1.135 2.726 1.00 20.00 H ATOM 100 2HB LEU A 8 7.096 1.009 2.622 1.00 20.00 H ATOM 101 HG LEU A 8 7.739 -1.613 2.671 1.00 20.00 H ATOM 102 1HD1 LEU A 8 10.057 -0.146 3.723 1.00 20.00 H ATOM 103 2HD1 LEU A 8 9.450 -1.443 4.754 1.00 20.00 H ATOM 104 3HD1 LEU A 8 9.940 -1.791 3.095 1.00 20.00 H ATOM 105 1HD2 LEU A 8 7.113 0.379 4.796 1.00 20.00 H ATOM 106 2HD2 LEU A 8 6.125 -0.933 4.154 1.00 20.00 H ATOM 107 3HD2 LEU A 8 7.458 -1.289 5.252 1.00 20.00 H HETATM 108 N AIB A 9 9.787 0.345 -0.870 1.00 20.00 N HETATM 109 CA AIB A 9 11.076 0.651 -1.507 1.00 20.00 C HETATM 110 C AIB A 9 12.259 0.248 -0.604 1.00 20.00 C HETATM 111 O1 AIB A 9 13.325 0.876 -0.709 1.00 20.00 O HETATM 112 CB1 AIB A 9 11.211 -0.129 -2.813 1.00 20.00 C HETATM 113 CB2 AIB A 9 11.194 2.155 -1.759 1.00 20.00 C HETATM 114 1HN AIB A 9 9.098 -0.105 -1.402 1.00 20.00 H HETATM 115 1HB1 AIB A 9 10.731 0.421 -3.615 1.00 20.00 H HETATM 116 2HB1 AIB A 9 10.739 -1.089 -2.722 1.00 20.00 H HETATM 117 3HB1 AIB A 9 12.262 -0.279 -3.037 1.00 20.00 H HETATM 118 1HB2 AIB A 9 10.583 2.689 -1.039 1.00 20.00 H HETATM 119 2HB2 AIB A 9 10.849 2.393 -2.747 1.00 20.00 H HETATM 120 3HB2 AIB A 9 12.232 2.455 -1.669 1.00 20.00 H HETATM 121 N AIB A 10 12.044 -0.792 0.262 1.00 20.00 N HETATM 122 CA AIB A 10 13.089 -1.278 1.174 1.00 20.00 C HETATM 123 C AIB A 10 14.372 -1.655 0.404 1.00 20.00 C HETATM 124 O1 AIB A 10 15.470 -1.339 0.864 1.00 20.00 O HETATM 125 CB1 AIB A 10 13.467 -0.191 2.181 1.00 20.00 C HETATM 126 CB2 AIB A 10 12.615 -2.541 1.892 1.00 20.00 C HETATM 127 1HN AIB A 10 11.173 -1.253 0.301 1.00 20.00 H HETATM 128 1HB1 AIB A 10 14.513 -0.294 2.447 1.00 20.00 H HETATM 129 2HB1 AIB A 10 12.873 -0.288 3.071 1.00 20.00 H HETATM 130 3HB1 AIB A 10 13.283 0.784 1.744 1.00 20.00 H HETATM 131 1HB2 AIB A 10 13.463 -3.028 2.363 1.00 20.00 H HETATM 132 2HB2 AIB A 10 12.174 -3.223 1.190 1.00 20.00 H HETATM 133 3HB2 AIB A 10 11.872 -2.277 2.636 1.00 20.00 H HETATM 134 N HYP A 11 14.261 -2.338 -0.778 1.00 20.00 N HETATM 135 CA HYP A 11 15.483 -2.708 -1.520 1.00 20.00 C HETATM 136 C HYP A 11 16.167 -1.507 -2.171 1.00 20.00 C HETATM 137 O HYP A 11 17.196 -1.653 -2.831 1.00 20.00 O HETATM 138 CB HYP A 11 14.996 -3.683 -2.604 1.00 20.00 C HETATM 139 CG HYP A 11 13.645 -4.182 -2.110 1.00 20.00 C HETATM 140 CD HYP A 11 13.083 -2.944 -1.454 1.00 20.00 C HETATM 141 OD HYP A 11 13.802 -5.173 -1.109 1.00 20.00 O HETATM 142 HA HYP A 11 16.192 -3.213 -0.879 1.00 20.00 H HETATM 143 1HB HYP A 11 15.702 -4.492 -2.705 1.00 20.00 H HETATM 144 2HB HYP A 11 14.903 -3.161 -3.544 1.00 20.00 H HETATM 145 1HD HYP A 11 12.681 -2.275 -2.200 1.00 20.00 H HETATM 146 2HD HYP A 11 12.323 -3.212 -0.736 1.00 20.00 H HETATM 147 HOD HYP A 11 14.542 -4.937 -0.544 1.00 20.00 H HETATM 148 HG HYP A 11 13.040 -4.424 -2.971 1.00 20.00 H ATOM 149 N GLN A 12 15.594 -0.323 -1.987 1.00 20.00 N ATOM 150 CA GLN A 12 16.157 0.895 -2.564 1.00 20.00 C ATOM 151 C GLN A 12 17.055 1.608 -1.564 1.00 20.00 C ATOM 152 O GLN A 12 17.979 2.331 -1.974 1.00 20.00 O ATOM 153 CB GLN A 12 15.040 1.829 -3.028 1.00 20.00 C ATOM 154 CG GLN A 12 14.328 1.345 -4.283 1.00 20.00 C ATOM 155 CD GLN A 12 15.291 0.959 -5.388 1.00 20.00 C ATOM 156 OE1 GLN A 12 15.834 -0.145 -5.395 1.00 20.00 O ATOM 157 NE2 GLN A 12 15.509 1.869 -6.330 1.00 20.00 N ATOM 158 H GLN A 12 14.774 -0.266 -1.453 1.00 20.00 H ATOM 159 HA GLN A 12 16.756 0.614 -3.416 1.00 20.00 H ATOM 160 1HB GLN A 12 14.310 1.920 -2.238 1.00 20.00 H ATOM 161 2HB GLN A 12 15.459 2.803 -3.232 1.00 20.00 H ATOM 162 1HG GLN A 12 13.730 0.482 -4.030 1.00 20.00 H ATOM 163 2HG GLN A 12 13.685 2.135 -4.643 1.00 20.00 H ATOM 164 1HE2 GLN A 12 15.043 2.729 -6.259 1.00 20.00 H ATOM 165 2HE2 GLN A 12 16.126 1.645 -7.056 1.00 20.00 H HETATM 166 N DIV A 13 16.768 1.382 -0.264 1.00 20.00 N HETATM 167 CA DIV A 13 17.553 1.992 0.827 1.00 20.00 C HETATM 168 CB1 DIV A 13 17.031 3.364 1.199 1.00 20.00 C HETATM 169 CG1 DIV A 13 17.835 4.102 2.259 1.00 20.00 C HETATM 170 CB2 DIV A 13 17.261 1.398 2.201 1.00 20.00 C HETATM 171 C DIV A 13 19.065 1.910 0.502 1.00 20.00 C HETATM 172 O DIV A 13 19.739 2.924 0.593 1.00 20.00 O HETATM 173 1HN DIV A 13 16.021 0.791 -0.036 1.00 20.00 H HETATM 174 1HB1 DIV A 13 16.020 3.272 1.571 1.00 20.00 H HETATM 175 2HB1 DIV A 13 17.017 3.987 0.318 1.00 20.00 H HETATM 176 1HG1 DIV A 13 17.793 3.559 3.191 1.00 20.00 H HETATM 177 2HG1 DIV A 13 17.417 5.088 2.400 1.00 20.00 H HETATM 178 3HG1 DIV A 13 18.859 4.194 1.941 1.00 20.00 H HETATM 179 1HB2 DIV A 13 17.326 0.322 2.152 1.00 20.00 H HETATM 180 2HB2 DIV A 13 16.267 1.674 2.524 1.00 20.00 H HETATM 181 3HB2 DIV A 13 17.982 1.761 2.917 1.00 20.00 H HETATM 182 N HYP A 14 19.590 0.698 0.093 1.00 20.00 N HETATM 183 CA HYP A 14 21.010 0.525 -0.265 1.00 20.00 C HETATM 184 C HYP A 14 21.940 1.699 0.097 1.00 20.00 C HETATM 185 O HYP A 14 22.845 1.505 0.921 1.00 20.00 O HETATM 186 CB HYP A 14 21.364 -0.698 0.580 1.00 20.00 C HETATM 187 CG HYP A 14 20.171 -1.630 0.388 1.00 20.00 C HETATM 188 CD HYP A 14 19.002 -0.671 0.212 1.00 20.00 C HETATM 189 OD HYP A 14 19.930 -2.395 1.556 1.00 20.00 O HETATM 190 HA HYP A 14 21.127 0.266 -1.321 1.00 20.00 H HETATM 191 1HB HYP A 14 21.484 -0.415 1.625 1.00 20.00 H HETATM 192 2HB HYP A 14 22.278 -1.142 0.213 1.00 20.00 H HETATM 193 1HD HYP A 14 18.451 -0.922 -0.682 1.00 20.00 H HETATM 194 2HD HYP A 14 18.353 -0.729 1.072 1.00 20.00 H HETATM 195 HOD HYP A 14 20.319 -3.267 1.445 1.00 20.00 H HETATM 196 HG HYP A 14 20.314 -2.164 -0.540 1.00 20.00 H HETATM 197 N AIB A 15 21.710 2.891 -0.534 1.00 20.00 N HETATM 198 CA AIB A 15 22.530 4.090 -0.291 1.00 20.00 C HETATM 199 C AIB A 15 23.387 3.953 0.986 1.00 20.00 C HETATM 200 O1 AIB A 15 24.608 4.085 0.908 1.00 20.00 O HETATM 201 CB1 AIB A 15 23.497 4.312 -1.454 1.00 20.00 C HETATM 202 CB2 AIB A 15 21.629 5.309 -0.095 1.00 20.00 C HETATM 203 1HN AIB A 15 20.973 2.977 -1.182 1.00 20.00 H HETATM 204 1HB1 AIB A 15 23.541 5.370 -1.688 1.00 20.00 H HETATM 205 2HB1 AIB A 15 23.159 3.780 -2.323 1.00 20.00 H HETATM 206 3HB1 AIB A 15 24.481 3.945 -1.181 1.00 20.00 H HETATM 207 1HB2 AIB A 15 22.004 6.134 -0.691 1.00 20.00 H HETATM 208 2HB2 AIB A 15 21.625 5.603 0.937 1.00 20.00 H HETATM 209 3HB2 AIB A 15 20.616 5.060 -0.391 1.00 20.00 H ATOM 210 N PRO A 16 22.773 3.720 2.188 1.00 20.00 N ATOM 211 CA PRO A 16 23.597 3.625 3.409 1.00 20.00 C ATOM 212 C PRO A 16 24.895 2.847 3.208 1.00 20.00 C ATOM 213 O PRO A 16 25.890 3.104 3.885 1.00 20.00 O ATOM 214 CB PRO A 16 22.689 2.904 4.402 1.00 20.00 C ATOM 215 CG PRO A 16 21.330 3.344 4.019 1.00 20.00 C ATOM 216 CD PRO A 16 21.350 3.411 2.520 1.00 20.00 C ATOM 217 HA PRO A 16 23.834 4.607 3.792 1.00 20.00 H ATOM 218 1HB PRO A 16 22.808 1.835 4.296 1.00 20.00 H ATOM 219 2HB PRO A 16 22.935 3.204 5.410 1.00 20.00 H ATOM 220 1HG PRO A 16 20.599 2.625 4.358 1.00 20.00 H ATOM 221 2HG PRO A 16 21.126 4.319 4.436 1.00 20.00 H ATOM 222 1HD PRO A 16 21.057 2.460 2.105 1.00 20.00 H ATOM 223 2HD PRO A 16 20.695 4.195 2.169 1.00 20.00 H HETATM 224 C PDH A 17 25.968 -0.238 2.902 1.00 20.00 C HETATM 225 O PDH A 17 27.074 -1.107 2.728 1.00 20.00 O HETATM 226 CA PDH A 17 26.113 1.052 2.001 1.00 20.00 C HETATM 227 N PDH A 17 24.884 1.893 2.285 1.00 20.00 N HETATM 228 CB PDH A 17 26.684 0.999 0.607 1.00 20.00 C HETATM 229 CG PDH A 17 27.888 1.881 0.372 1.00 20.00 C HETATM 230 CD1 PDH A 17 27.790 3.022 -0.416 1.00 20.00 C HETATM 231 CD2 PDH A 17 29.118 1.563 0.942 1.00 20.00 C HETATM 232 CE1 PDH A 17 28.895 3.831 -0.632 1.00 20.00 C HETATM 233 CE2 PDH A 17 30.226 2.369 0.729 1.00 20.00 C HETATM 234 CZ PDH A 17 30.114 3.504 -0.058 1.00 20.00 C HETATM 235 H1 PDH A 17 25.065 -0.765 2.631 1.00 20.00 H HETATM 236 H2 PDH A 17 25.915 0.054 3.940 1.00 20.00 H HETATM 237 HO PDH A 17 27.885 -0.595 2.719 1.00 20.00 H HETATM 238 HA PDH A 17 26.901 1.538 2.258 1.00 20.00 H HETATM 239 1HB PDH A 17 25.917 1.298 -0.094 1.00 20.00 H HETATM 240 2HB PDH A 17 26.977 -0.017 0.389 1.00 20.00 H HETATM 241 HD1 PDH A 17 26.840 3.277 -0.862 1.00 20.00 H HETATM 242 HD2 PDH A 17 29.206 0.679 1.556 1.00 20.00 H HETATM 243 HE1 PDH A 17 28.807 4.715 -1.245 1.00 20.00 H HETATM 244 HE2 PDH A 17 31.175 2.113 1.176 1.00 20.00 H HETATM 245 HZ PDH A 17 30.976 4.133 -0.225 1.00 20.00 H HETATM 246 HN PDH A 17 24.062 1.728 1.776 1.00 20.00 H TER 247 PDH A 17 ENDMDL MODEL 10 HETATM 1 C ACE A 1 1.255 4.480 0.209 1.00 20.00 C HETATM 2 O ACE A 1 0.519 5.160 0.924 1.00 20.00 O HETATM 3 CH3 ACE A 1 2.316 5.566 0.494 1.00 20.00 C HETATM 4 1H ACE A 1 1.940 6.531 0.179 1.00 20.00 H HETATM 5 2H ACE A 1 3.223 5.347 -0.048 1.00 20.00 H HETATM 6 3H ACE A 1 2.531 5.601 1.551 1.00 20.00 H ATOM 7 N PHE A 2 1.781 3.318 0.644 1.00 20.00 N ATOM 8 CA PHE A 2 1.470 3.063 2.045 1.00 20.00 C ATOM 9 C PHE A 2 2.425 2.031 2.635 1.00 20.00 C ATOM 10 O PHE A 2 3.399 1.638 1.971 1.00 20.00 O ATOM 11 CB PHE A 2 0.025 2.585 2.190 1.00 20.00 C ATOM 12 CG PHE A 2 -0.873 3.589 2.854 1.00 20.00 C ATOM 13 CD1 PHE A 2 -2.074 3.956 2.270 1.00 20.00 C ATOM 14 CD2 PHE A 2 -0.515 4.168 4.063 1.00 20.00 C ATOM 15 CE1 PHE A 2 -2.902 4.882 2.876 1.00 20.00 C ATOM 16 CE2 PHE A 2 -1.339 5.093 4.674 1.00 20.00 C ATOM 17 CZ PHE A 2 -2.534 5.451 4.080 1.00 20.00 C ATOM 18 H PHE A 2 2.755 3.386 0.743 1.00 20.00 H ATOM 19 HA PHE A 2 1.587 3.991 2.584 1.00 20.00 H ATOM 20 1HB PHE A 2 -0.378 2.377 1.210 1.00 20.00 H ATOM 21 2HB PHE A 2 0.007 1.680 2.780 1.00 20.00 H ATOM 22 HD1 PHE A 2 -2.363 3.512 1.329 1.00 20.00 H ATOM 23 HD2 PHE A 2 0.419 3.888 4.527 1.00 20.00 H ATOM 24 HE1 PHE A 2 -3.835 5.159 2.410 1.00 20.00 H ATOM 25 HE2 PHE A 2 -1.049 5.538 5.614 1.00 20.00 H ATOM 26 HZ PHE A 2 -3.179 6.173 4.556 1.00 20.00 H HETATM 27 N AIB A 3 2.121 1.613 3.885 1.00 20.00 N HETATM 28 CA AIB A 3 2.938 0.624 4.602 1.00 20.00 C HETATM 29 C AIB A 3 2.888 -0.751 3.907 1.00 20.00 C HETATM 30 O1 AIB A 3 2.534 -1.741 4.570 1.00 20.00 O HETATM 31 CB1 AIB A 3 2.397 0.426 6.016 1.00 20.00 C HETATM 32 CB2 AIB A 3 4.400 1.070 4.638 1.00 20.00 C HETATM 33 1HN AIB A 3 1.331 1.982 4.333 1.00 20.00 H HETATM 34 1HB1 AIB A 3 1.761 -0.451 6.036 1.00 20.00 H HETATM 35 2HB1 AIB A 3 1.819 1.280 6.312 1.00 20.00 H HETATM 36 3HB1 AIB A 3 3.226 0.309 6.705 1.00 20.00 H HETATM 37 1HB2 AIB A 3 4.463 2.065 5.065 1.00 20.00 H HETATM 38 2HB2 AIB A 3 4.804 1.095 3.644 1.00 20.00 H HETATM 39 3HB2 AIB A 3 4.977 0.368 5.231 1.00 20.00 H HETATM 40 N AIB A 4 3.245 -0.782 2.585 1.00 20.00 N HETATM 41 CA AIB A 4 3.243 -2.025 1.802 1.00 20.00 C HETATM 42 C AIB A 4 3.936 -1.825 0.438 1.00 20.00 C HETATM 43 O1 AIB A 4 4.574 -2.772 -0.050 1.00 20.00 O HETATM 44 CB1 AIB A 4 4.014 -3.116 2.546 1.00 20.00 C HETATM 45 CB2 AIB A 4 1.809 -2.473 1.517 1.00 20.00 C HETATM 46 1HN AIB A 4 3.518 0.039 2.119 1.00 20.00 H HETATM 47 1HB1 AIB A 4 4.778 -3.527 1.896 1.00 20.00 H HETATM 48 2HB1 AIB A 4 3.348 -3.905 2.839 1.00 20.00 H HETATM 49 3HB1 AIB A 4 4.466 -2.692 3.437 1.00 20.00 H HETATM 50 1HB2 AIB A 4 1.720 -2.756 0.474 1.00 20.00 H HETATM 51 2HB2 AIB A 4 1.126 -1.670 1.718 1.00 20.00 H HETATM 52 3HB2 AIB A 4 1.559 -3.312 2.158 1.00 20.00 H HETATM 53 N AIB A 5 3.793 -0.592 -0.147 1.00 20.00 N HETATM 54 CA AIB A 5 4.401 -0.264 -1.444 1.00 20.00 C HETATM 55 C AIB A 5 5.650 -1.129 -1.709 1.00 20.00 C HETATM 56 O1 AIB A 5 6.748 -0.735 -1.282 1.00 20.00 O HETATM 57 CB1 AIB A 5 3.408 -0.535 -2.574 1.00 20.00 C HETATM 58 CB2 AIB A 5 4.850 1.196 -1.453 1.00 20.00 C HETATM 59 1HN AIB A 5 3.272 0.123 0.288 1.00 20.00 H HETATM 60 1HB1 AIB A 5 2.829 0.362 -2.768 1.00 20.00 H HETATM 61 2HB1 AIB A 5 2.737 -1.325 -2.296 1.00 20.00 H HETATM 62 3HB1 AIB A 5 3.949 -0.834 -3.465 1.00 20.00 H HETATM 63 1HB2 AIB A 5 4.479 1.693 -0.563 1.00 20.00 H HETATM 64 2HB2 AIB A 5 4.456 1.699 -2.316 1.00 20.00 H HETATM 65 3HB2 AIB A 5 5.932 1.242 -1.487 1.00 20.00 H HETATM 66 N DIV A 6 5.455 -2.290 -2.412 1.00 20.00 N HETATM 67 CA DIV A 6 6.564 -3.209 -2.738 1.00 20.00 C HETATM 68 CB1 DIV A 6 6.106 -4.559 -3.183 1.00 20.00 C HETATM 69 CG1 DIV A 6 5.336 -5.310 -2.107 1.00 20.00 C HETATM 70 CB2 DIV A 6 7.237 -2.931 -4.075 1.00 20.00 C HETATM 71 C DIV A 6 7.615 -3.218 -1.601 1.00 20.00 C HETATM 72 O DIV A 6 8.767 -2.844 -1.817 1.00 20.00 O HETATM 73 1HN DIV A 6 4.559 -2.552 -2.729 1.00 20.00 H HETATM 74 1HB1 DIV A 6 6.960 -5.163 -3.457 1.00 20.00 H HETATM 75 2HB1 DIV A 6 5.457 -4.458 -4.040 1.00 20.00 H HETATM 76 1HG1 DIV A 6 5.022 -6.267 -2.495 1.00 20.00 H HETATM 77 2HG1 DIV A 6 4.463 -4.741 -1.813 1.00 20.00 H HETATM 78 3HG1 DIV A 6 5.970 -5.467 -1.246 1.00 20.00 H HETATM 79 1HB2 DIV A 6 7.674 -1.944 -4.065 1.00 20.00 H HETATM 80 2HB2 DIV A 6 6.509 -2.991 -4.870 1.00 20.00 H HETATM 81 3HB2 DIV A 6 8.014 -3.661 -4.249 1.00 20.00 H ATOM 82 N GLY A 7 7.202 -3.654 -0.391 1.00 20.00 N ATOM 83 CA GLY A 7 8.137 -3.693 0.716 1.00 20.00 C ATOM 84 C GLY A 7 8.465 -2.308 1.245 1.00 20.00 C ATOM 85 O GLY A 7 9.569 -2.074 1.729 1.00 20.00 O ATOM 86 H GLY A 7 6.272 -3.950 -0.247 1.00 20.00 H ATOM 87 1HA GLY A 7 9.051 -4.160 0.379 1.00 20.00 H ATOM 88 2HA GLY A 7 7.718 -4.290 1.516 1.00 20.00 H ATOM 89 N LEU A 8 7.507 -1.385 1.143 1.00 20.00 N ATOM 90 CA LEU A 8 7.700 -0.013 1.605 1.00 20.00 C ATOM 91 C LEU A 8 9.134 0.458 1.367 1.00 20.00 C ATOM 92 O LEU A 8 9.889 0.667 2.332 1.00 20.00 O ATOM 93 CB LEU A 8 7.331 0.119 3.089 1.00 20.00 C ATOM 94 CG LEU A 8 8.093 -0.798 4.049 1.00 20.00 C ATOM 95 CD1 LEU A 8 8.859 0.022 5.074 1.00 20.00 C ATOM 96 CD2 LEU A 8 7.137 -1.758 4.743 1.00 20.00 C ATOM 97 H LEU A 8 6.649 -1.627 0.737 1.00 20.00 H ATOM 98 HA LEU A 8 7.038 0.616 1.029 1.00 20.00 H ATOM 99 1HB LEU A 8 7.508 1.141 3.389 1.00 20.00 H ATOM 100 2HB LEU A 8 6.276 -0.089 3.193 1.00 20.00 H ATOM 101 HG LEU A 8 8.805 -1.382 3.491 1.00 20.00 H ATOM 102 1HD1 LEU A 8 8.282 0.895 5.340 1.00 20.00 H ATOM 103 2HD1 LEU A 8 9.034 -0.577 5.957 1.00 20.00 H ATOM 104 3HD1 LEU A 8 9.806 0.329 4.655 1.00 20.00 H ATOM 105 1HD2 LEU A 8 6.121 -1.422 4.598 1.00 20.00 H ATOM 106 2HD2 LEU A 8 7.253 -2.747 4.326 1.00 20.00 H ATOM 107 3HD2 LEU A 8 7.359 -1.784 5.800 1.00 20.00 H HETATM 108 N AIB A 9 9.468 0.628 0.067 1.00 20.00 N HETATM 109 CA AIB A 9 10.799 1.092 -0.351 1.00 20.00 C HETATM 110 C AIB A 9 11.919 0.337 0.393 1.00 20.00 C HETATM 111 O1 AIB A 9 13.035 0.875 0.486 1.00 20.00 O HETATM 112 CB1 AIB A 9 11.004 0.837 -1.843 1.00 20.00 C HETATM 113 CB2 AIB A 9 10.967 2.577 -0.027 1.00 20.00 C HETATM 114 1HN AIB A 9 8.799 0.447 -0.626 1.00 20.00 H HETATM 115 1HB1 AIB A 9 10.339 0.043 -2.168 1.00 20.00 H HETATM 116 2HB1 AIB A 9 12.018 0.535 -2.032 1.00 20.00 H HETATM 117 3HB1 AIB A 9 10.804 1.748 -2.397 1.00 20.00 H HETATM 118 1HB2 AIB A 9 10.295 2.847 0.780 1.00 20.00 H HETATM 119 2HB2 AIB A 9 10.730 3.172 -0.887 1.00 20.00 H HETATM 120 3HB2 AIB A 9 11.996 2.769 0.258 1.00 20.00 H HETATM 121 N AIB A 10 11.598 -0.891 0.904 1.00 20.00 N HETATM 122 CA AIB A 10 12.572 -1.715 1.634 1.00 20.00 C HETATM 123 C AIB A 10 13.860 -1.922 0.809 1.00 20.00 C HETATM 124 O1 AIB A 10 14.950 -1.923 1.379 1.00 20.00 O HETATM 125 CB1 AIB A 10 12.989 -1.012 2.926 1.00 20.00 C HETATM 126 CB2 AIB A 10 11.986 -3.094 1.932 1.00 20.00 C HETATM 127 1HN AIB A 10 10.691 -1.266 0.800 1.00 20.00 H HETATM 128 1HB1 AIB A 10 12.790 0.050 2.839 1.00 20.00 H HETATM 129 2HB1 AIB A 10 14.038 -1.153 3.103 1.00 20.00 H HETATM 130 3HB1 AIB A 10 12.435 -1.432 3.760 1.00 20.00 H HETATM 131 1HB2 AIB A 10 12.777 -3.758 2.265 1.00 20.00 H HETATM 132 2HB2 AIB A 10 11.540 -3.506 1.047 1.00 20.00 H HETATM 133 3HB2 AIB A 10 11.222 -3.003 2.697 1.00 20.00 H HETATM 134 N HYP A 11 13.764 -2.089 -0.547 1.00 20.00 N HETATM 135 CA HYP A 11 14.996 -2.274 -1.332 1.00 20.00 C HETATM 136 C HYP A 11 15.676 -0.952 -1.685 1.00 20.00 C HETATM 137 O HYP A 11 16.402 -0.867 -2.676 1.00 20.00 O HETATM 138 CB HYP A 11 14.546 -2.989 -2.617 1.00 20.00 C HETATM 139 CG HYP A 11 13.122 -3.464 -2.352 1.00 20.00 C HETATM 140 CD HYP A 11 12.598 -2.407 -1.408 1.00 20.00 C HETATM 141 OD HYP A 11 13.118 -4.704 -1.663 1.00 20.00 O HETATM 142 HA HYP A 11 15.701 -2.901 -0.805 1.00 20.00 H HETATM 143 1HB HYP A 11 15.206 -3.822 -2.814 1.00 20.00 H HETATM 144 2HB HYP A 11 14.581 -2.296 -3.444 1.00 20.00 H HETATM 145 1HD HYP A 11 12.277 -1.536 -1.959 1.00 20.00 H HETATM 146 2HD HYP A 11 11.783 -2.804 -0.822 1.00 20.00 H HETATM 147 HOD HYP A 11 13.581 -4.606 -0.828 1.00 20.00 H HETATM 148 HG HYP A 11 12.571 -3.401 -3.279 1.00 20.00 H ATOM 149 N GLN A 12 15.447 0.076 -0.872 1.00 20.00 N ATOM 150 CA GLN A 12 16.053 1.383 -1.107 1.00 20.00 C ATOM 151 C GLN A 12 17.397 1.497 -0.391 1.00 20.00 C ATOM 152 O GLN A 12 18.072 2.534 -0.499 1.00 20.00 O ATOM 153 CB GLN A 12 15.116 2.497 -0.636 1.00 20.00 C ATOM 154 CG GLN A 12 13.968 2.765 -1.594 1.00 20.00 C ATOM 155 CD GLN A 12 14.386 2.677 -3.049 1.00 20.00 C ATOM 156 OE1 GLN A 12 14.593 1.586 -3.583 1.00 20.00 O ATOM 157 NE2 GLN A 12 14.512 3.827 -3.701 1.00 20.00 N ATOM 158 H GLN A 12 14.867 -0.048 -0.095 1.00 20.00 H ATOM 159 HA GLN A 12 16.210 1.488 -2.170 1.00 20.00 H ATOM 160 1HB GLN A 12 14.702 2.223 0.323 1.00 20.00 H ATOM 161 2HB GLN A 12 15.685 3.408 -0.527 1.00 20.00 H ATOM 162 1HG GLN A 12 13.195 2.035 -1.417 1.00 20.00 H ATOM 163 2HG GLN A 12 13.580 3.754 -1.404 1.00 20.00 H ATOM 164 1HE2 GLN A 12 14.333 4.657 -3.214 1.00 20.00 H ATOM 165 2HE2 GLN A 12 14.778 3.798 -4.645 1.00 20.00 H HETATM 166 N DIV A 13 17.754 0.412 0.339 1.00 20.00 N HETATM 167 CA DIV A 13 19.019 0.355 1.103 1.00 20.00 C HETATM 168 CB1 DIV A 13 18.857 0.757 2.553 1.00 20.00 C HETATM 169 CG1 DIV A 13 17.505 0.357 3.125 1.00 20.00 C HETATM 170 CB2 DIV A 13 19.452 -1.065 1.446 1.00 20.00 C HETATM 171 C DIV A 13 20.136 1.131 0.362 1.00 20.00 C HETATM 172 O DIV A 13 20.900 1.821 1.035 1.00 20.00 O HETATM 173 1HN DIV A 13 17.159 -0.364 0.373 1.00 20.00 H HETATM 174 1HB1 DIV A 13 18.936 1.831 2.637 1.00 20.00 H HETATM 175 2HB1 DIV A 13 19.625 0.303 3.165 1.00 20.00 H HETATM 176 1HG1 DIV A 13 16.718 0.856 2.578 1.00 20.00 H HETATM 177 2HG1 DIV A 13 17.457 0.649 4.164 1.00 20.00 H HETATM 178 3HG1 DIV A 13 17.373 -0.713 3.050 1.00 20.00 H HETATM 179 1HB2 DIV A 13 20.399 -1.043 1.965 1.00 20.00 H HETATM 180 2HB2 DIV A 13 19.555 -1.645 0.542 1.00 20.00 H HETATM 181 3HB2 DIV A 13 18.712 -1.530 2.081 1.00 20.00 H HETATM 182 N HYP A 14 20.221 1.043 -1.014 1.00 20.00 N HETATM 183 CA HYP A 14 21.238 1.785 -1.772 1.00 20.00 C HETATM 184 C HYP A 14 22.073 2.771 -0.947 1.00 20.00 C HETATM 185 O HYP A 14 23.310 2.655 -0.934 1.00 20.00 O HETATM 186 CB HYP A 14 22.110 0.641 -2.286 1.00 20.00 C HETATM 187 CG HYP A 14 21.102 -0.420 -2.724 1.00 20.00 C HETATM 188 CD HYP A 14 19.893 -0.164 -1.832 1.00 20.00 C HETATM 189 OD HYP A 14 21.581 -1.723 -2.436 1.00 20.00 O HETATM 190 HA HYP A 14 20.795 2.306 -2.624 1.00 20.00 H HETATM 191 1HB HYP A 14 22.758 0.273 -1.491 1.00 20.00 H HETATM 192 2HB HYP A 14 22.709 0.985 -3.117 1.00 20.00 H HETATM 193 1HD HYP A 14 19.024 0.024 -2.443 1.00 20.00 H HETATM 194 2HD HYP A 14 19.720 -1.019 -1.199 1.00 20.00 H HETATM 195 HOD HYP A 14 21.810 -2.152 -3.263 1.00 20.00 H HETATM 196 HG HYP A 14 20.822 -0.206 -3.745 1.00 20.00 H HETATM 197 N AIB A 15 21.383 3.731 -0.271 1.00 20.00 N HETATM 198 CA AIB A 15 22.053 4.744 0.555 1.00 20.00 C HETATM 199 C AIB A 15 23.182 4.118 1.401 1.00 20.00 C HETATM 200 O1 AIB A 15 24.351 4.242 1.037 1.00 20.00 O HETATM 201 CB1 AIB A 15 22.711 5.788 -0.346 1.00 20.00 C HETATM 202 CB2 AIB A 15 21.056 5.401 1.509 1.00 20.00 C HETATM 203 1HN AIB A 15 20.405 3.762 -0.324 1.00 20.00 H HETATM 204 1HB1 AIB A 15 21.942 6.344 -0.875 1.00 20.00 H HETATM 205 2HB1 AIB A 15 23.345 5.309 -1.066 1.00 20.00 H HETATM 206 3HB1 AIB A 15 23.313 6.459 0.258 1.00 20.00 H HETATM 207 1HB2 AIB A 15 21.508 5.506 2.489 1.00 20.00 H HETATM 208 2HB2 AIB A 15 20.175 4.794 1.598 1.00 20.00 H HETATM 209 3HB2 AIB A 15 20.772 6.373 1.120 1.00 20.00 H ATOM 210 N PRO A 16 22.857 3.437 2.542 1.00 20.00 N ATOM 211 CA PRO A 16 23.920 2.840 3.348 1.00 20.00 C ATOM 212 C PRO A 16 25.025 2.226 2.496 1.00 20.00 C ATOM 213 O PRO A 16 26.186 2.186 2.903 1.00 20.00 O ATOM 214 CB PRO A 16 23.208 1.745 4.152 1.00 20.00 C ATOM 215 CG PRO A 16 21.742 2.034 4.058 1.00 20.00 C ATOM 216 CD PRO A 16 21.587 3.322 3.297 1.00 20.00 C ATOM 217 HA PRO A 16 24.352 3.562 4.026 1.00 20.00 H ATOM 218 1HB PRO A 16 23.441 0.780 3.727 1.00 20.00 H ATOM 219 2HB PRO A 16 23.546 1.776 5.177 1.00 20.00 H ATOM 220 1HG PRO A 16 21.246 1.232 3.533 1.00 20.00 H ATOM 221 2HG PRO A 16 21.328 2.138 5.051 1.00 20.00 H ATOM 222 1HD PRO A 16 20.743 3.262 2.624 1.00 20.00 H ATOM 223 2HD PRO A 16 21.470 4.152 3.978 1.00 20.00 H HETATM 224 C PDH A 17 24.961 -0.242 -0.114 1.00 20.00 C HETATM 225 O PDH A 17 25.304 -0.525 -1.459 1.00 20.00 O HETATM 226 CA PDH A 17 25.650 1.090 0.379 1.00 20.00 C HETATM 227 N PDH A 17 24.655 1.739 1.319 1.00 20.00 N HETATM 228 CB PDH A 17 26.492 1.940 -0.531 1.00 20.00 C HETATM 229 CG PDH A 17 27.650 2.633 0.143 1.00 20.00 C HETATM 230 CD1 PDH A 17 28.958 2.246 -0.130 1.00 20.00 C HETATM 231 CD2 PDH A 17 27.433 3.672 1.041 1.00 20.00 C HETATM 232 CE1 PDH A 17 30.028 2.883 0.480 1.00 20.00 C HETATM 233 CE2 PDH A 17 28.498 4.312 1.656 1.00 20.00 C HETATM 234 CZ PDH A 17 29.798 3.916 1.375 1.00 20.00 C HETATM 235 H1 PDH A 17 23.889 -0.136 -0.046 1.00 20.00 H HETATM 236 H2 PDH A 17 25.283 -1.063 0.507 1.00 20.00 H HETATM 237 HO PDH A 17 24.686 -0.086 -2.046 1.00 20.00 H HETATM 238 HA PDH A 17 26.462 0.882 0.854 1.00 20.00 H HETATM 239 1HB PDH A 17 25.866 2.701 -0.975 1.00 20.00 H HETATM 240 2HB PDH A 17 26.895 1.316 -1.314 1.00 20.00 H HETATM 241 HD1 PDH A 17 29.138 1.441 -0.826 1.00 20.00 H HETATM 242 HD2 PDH A 17 26.421 3.979 1.260 1.00 20.00 H HETATM 243 HE1 PDH A 17 31.039 2.573 0.260 1.00 20.00 H HETATM 244 HE2 PDH A 17 28.317 5.116 2.353 1.00 20.00 H HETATM 245 HZ PDH A 17 30.628 4.414 1.852 1.00 20.00 H HETATM 246 HN PDH A 17 23.713 1.794 1.054 1.00 20.00 H TER 247 PDH A 17 ENDMDL MODEL 11 HETATM 1 C ACE A 1 1.793 5.477 0.246 1.00 20.00 C HETATM 2 O ACE A 1 0.721 5.808 0.753 1.00 20.00 O HETATM 3 CH3 ACE A 1 2.432 6.034 1.539 1.00 20.00 C HETATM 4 1H ACE A 1 3.509 5.994 1.465 1.00 20.00 H HETATM 5 2H ACE A 1 2.113 5.450 2.389 1.00 20.00 H HETATM 6 3H ACE A 1 2.127 7.063 1.683 1.00 20.00 H ATOM 7 N PHE A 2 2.168 4.185 0.165 1.00 20.00 N ATOM 8 CA PHE A 2 1.227 3.287 0.844 1.00 20.00 C ATOM 9 C PHE A 2 1.965 2.248 1.687 1.00 20.00 C ATOM 10 O PHE A 2 3.042 1.779 1.279 1.00 20.00 O ATOM 11 CB PHE A 2 0.340 2.582 -0.185 1.00 20.00 C ATOM 12 CG PHE A 2 -1.131 2.738 0.074 1.00 20.00 C ATOM 13 CD1 PHE A 2 -1.789 3.911 -0.262 1.00 20.00 C ATOM 14 CD2 PHE A 2 -1.857 1.709 0.651 1.00 20.00 C ATOM 15 CE1 PHE A 2 -3.143 4.054 -0.027 1.00 20.00 C ATOM 16 CE2 PHE A 2 -3.211 1.846 0.889 1.00 20.00 C ATOM 17 CZ PHE A 2 -3.856 3.019 0.550 1.00 20.00 C ATOM 18 H PHE A 2 2.950 4.011 0.733 1.00 20.00 H ATOM 19 HA PHE A 2 0.605 3.881 1.495 1.00 20.00 H ATOM 20 1HB PHE A 2 0.548 2.987 -1.164 1.00 20.00 H ATOM 21 2HB PHE A 2 0.568 1.526 -0.183 1.00 20.00 H ATOM 22 HD1 PHE A 2 -1.233 4.720 -0.713 1.00 20.00 H ATOM 23 HD2 PHE A 2 -1.354 0.791 0.918 1.00 20.00 H ATOM 24 HE1 PHE A 2 -3.645 4.973 -0.293 1.00 20.00 H ATOM 25 HE2 PHE A 2 -3.766 1.035 1.340 1.00 20.00 H ATOM 26 HZ PHE A 2 -4.914 3.128 0.733 1.00 20.00 H HETATM 27 N AIB A 3 1.367 1.915 2.853 1.00 20.00 N HETATM 28 CA AIB A 3 1.946 0.933 3.780 1.00 20.00 C HETATM 29 C AIB A 3 2.003 -0.467 3.141 1.00 20.00 C HETATM 30 O1 AIB A 3 1.392 -1.398 3.693 1.00 20.00 O HETATM 31 CB1 AIB A 3 1.085 0.815 5.035 1.00 20.00 C HETATM 32 CB2 AIB A 3 3.379 1.327 4.139 1.00 20.00 C HETATM 33 1HN AIB A 3 0.518 2.343 3.093 1.00 20.00 H HETATM 34 1HB1 AIB A 3 0.042 0.741 4.748 1.00 20.00 H HETATM 35 2HB1 AIB A 3 1.213 1.682 5.653 1.00 20.00 H HETATM 36 3HB1 AIB A 3 1.386 -0.064 5.594 1.00 20.00 H HETATM 37 1HB2 AIB A 3 3.816 0.559 4.768 1.00 20.00 H HETATM 38 2HB2 AIB A 3 3.383 2.258 4.675 1.00 20.00 H HETATM 39 3HB2 AIB A 3 3.959 1.446 3.230 1.00 20.00 H HETATM 40 N AIB A 4 2.733 -0.586 1.990 1.00 20.00 N HETATM 41 CA AIB A 4 2.867 -1.863 1.277 1.00 20.00 C HETATM 42 C AIB A 4 3.768 -1.724 0.034 1.00 20.00 C HETATM 43 O1 AIB A 4 4.390 -2.725 -0.357 1.00 20.00 O HETATM 44 CB1 AIB A 4 3.510 -2.912 2.184 1.00 20.00 C HETATM 45 CB2 AIB A 4 1.499 -2.337 0.785 1.00 20.00 C HETATM 46 1HN AIB A 4 3.192 0.199 1.606 1.00 20.00 H HETATM 47 1HB1 AIB A 4 4.417 -2.505 2.617 1.00 20.00 H HETATM 48 2HB1 AIB A 4 3.760 -3.788 1.618 1.00 20.00 H HETATM 49 3HB1 AIB A 4 2.811 -3.191 2.966 1.00 20.00 H HETATM 50 1HB2 AIB A 4 0.885 -2.612 1.635 1.00 20.00 H HETATM 51 2HB2 AIB A 4 1.611 -3.195 0.149 1.00 20.00 H HETATM 52 3HB2 AIB A 4 1.026 -1.542 0.219 1.00 20.00 H HETATM 53 N AIB A 5 3.809 -0.489 -0.562 1.00 20.00 N HETATM 54 CA AIB A 5 4.623 -0.222 -1.758 1.00 20.00 C HETATM 55 C AIB A 5 5.780 -1.233 -1.883 1.00 20.00 C HETATM 56 O1 AIB A 5 6.878 -0.945 -1.378 1.00 20.00 O HETATM 57 CB1 AIB A 5 3.773 -0.351 -3.021 1.00 20.00 C HETATM 58 CB2 AIB A 5 5.250 1.169 -1.664 1.00 20.00 C HETATM 59 1HN AIB A 5 3.289 0.269 -0.209 1.00 20.00 H HETATM 60 1HB1 AIB A 5 3.236 0.577 -3.191 1.00 20.00 H HETATM 61 2HB1 AIB A 5 3.060 -1.146 -2.909 1.00 20.00 H HETATM 62 3HB1 AIB A 5 4.416 -0.574 -3.866 1.00 20.00 H HETATM 63 1HB2 AIB A 5 4.731 1.747 -0.907 1.00 20.00 H HETATM 64 2HB2 AIB A 5 5.164 1.678 -2.605 1.00 20.00 H HETATM 65 3HB2 AIB A 5 6.300 1.075 -1.413 1.00 20.00 H HETATM 66 N DIV A 6 5.508 -2.399 -2.555 1.00 20.00 N HETATM 67 CA DIV A 6 6.527 -3.450 -2.746 1.00 20.00 C HETATM 68 CB1 DIV A 6 5.973 -4.775 -3.184 1.00 20.00 C HETATM 69 CG1 DIV A 6 5.069 -5.422 -2.148 1.00 20.00 C HETATM 70 CB2 DIV A 6 7.317 -3.299 -4.038 1.00 20.00 C HETATM 71 C DIV A 6 7.493 -3.488 -1.538 1.00 20.00 C HETATM 72 O DIV A 6 8.668 -3.146 -1.667 1.00 20.00 O HETATM 73 1HN DIV A 6 4.615 -2.573 -2.936 1.00 20.00 H HETATM 74 1HB1 DIV A 6 6.784 -5.461 -3.382 1.00 20.00 H HETATM 75 2HB1 DIV A 6 5.395 -4.643 -4.086 1.00 20.00 H HETATM 76 1HG1 DIV A 6 4.660 -6.335 -2.556 1.00 20.00 H HETATM 77 2HG1 DIV A 6 4.259 -4.752 -1.891 1.00 20.00 H HETATM 78 3HG1 DIV A 6 5.642 -5.654 -1.263 1.00 20.00 H HETATM 79 1HB2 DIV A 6 8.014 -4.118 -4.139 1.00 20.00 H HETATM 80 2HB2 DIV A 6 7.864 -2.367 -4.027 1.00 20.00 H HETATM 81 3HB2 DIV A 6 6.642 -3.303 -4.882 1.00 20.00 H ATOM 82 N GLY A 7 6.975 -3.897 -0.358 1.00 20.00 N ATOM 83 CA GLY A 7 7.818 -3.944 0.822 1.00 20.00 C ATOM 84 C GLY A 7 8.138 -2.558 1.354 1.00 20.00 C ATOM 85 O GLY A 7 9.171 -2.357 1.994 1.00 20.00 O ATOM 86 H GLY A 7 6.025 -4.160 -0.283 1.00 20.00 H ATOM 87 1HA GLY A 7 8.741 -4.444 0.573 1.00 20.00 H ATOM 88 2HA GLY A 7 7.311 -4.507 1.593 1.00 20.00 H ATOM 89 N LEU A 8 7.252 -1.601 1.088 1.00 20.00 N ATOM 90 CA LEU A 8 7.441 -0.229 1.540 1.00 20.00 C ATOM 91 C LEU A 8 8.869 0.242 1.281 1.00 20.00 C ATOM 92 O LEU A 8 9.469 0.911 2.140 1.00 20.00 O ATOM 93 CB LEU A 8 7.098 -0.099 3.027 1.00 20.00 C ATOM 94 CG LEU A 8 6.898 -1.420 3.777 1.00 20.00 C ATOM 95 CD1 LEU A 8 8.198 -1.867 4.427 1.00 20.00 C ATOM 96 CD2 LEU A 8 5.801 -1.276 4.821 1.00 20.00 C ATOM 97 H LEU A 8 6.450 -1.821 0.574 1.00 20.00 H ATOM 98 HA LEU A 8 6.766 0.395 0.973 1.00 20.00 H ATOM 99 1HB LEU A 8 7.893 0.449 3.512 1.00 20.00 H ATOM 100 2HB LEU A 8 6.186 0.476 3.111 1.00 20.00 H ATOM 101 HG LEU A 8 6.594 -2.184 3.078 1.00 20.00 H ATOM 102 1HD1 LEU A 8 9.034 -1.451 3.884 1.00 20.00 H ATOM 103 2HD1 LEU A 8 8.226 -1.521 5.450 1.00 20.00 H ATOM 104 3HD1 LEU A 8 8.256 -2.946 4.409 1.00 20.00 H ATOM 105 1HD2 LEU A 8 5.526 -0.236 4.913 1.00 20.00 H ATOM 106 2HD2 LEU A 8 4.938 -1.851 4.518 1.00 20.00 H ATOM 107 3HD2 LEU A 8 6.159 -1.640 5.773 1.00 20.00 H HETATM 108 N AIB A 9 9.379 -0.116 0.080 1.00 20.00 N HETATM 109 CA AIB A 9 10.735 0.259 -0.344 1.00 20.00 C HETATM 110 C AIB A 9 11.795 -0.260 0.647 1.00 20.00 C HETATM 111 O1 AIB A 9 12.903 0.301 0.680 1.00 20.00 O HETATM 112 CB1 AIB A 9 11.057 -0.360 -1.702 1.00 20.00 C HETATM 113 CB2 AIB A 9 10.869 1.782 -0.395 1.00 20.00 C HETATM 114 1HN AIB A 9 8.826 -0.641 -0.536 1.00 20.00 H HETATM 115 1HB1 AIB A 9 10.619 -1.351 -1.759 1.00 20.00 H HETATM 116 2HB1 AIB A 9 12.119 -0.444 -1.829 1.00 20.00 H HETATM 117 3HB1 AIB A 9 10.661 0.273 -2.490 1.00 20.00 H HETATM 118 1HB2 AIB A 9 11.300 2.138 0.534 1.00 20.00 H HETATM 119 2HB2 AIB A 9 9.905 2.234 -0.526 1.00 20.00 H HETATM 120 3HB2 AIB A 9 11.500 2.059 -1.234 1.00 20.00 H HETATM 121 N AIB A 10 11.434 -1.322 1.433 1.00 20.00 N HETATM 122 CA AIB A 10 12.351 -1.915 2.416 1.00 20.00 C HETATM 123 C AIB A 10 13.763 -2.101 1.822 1.00 20.00 C HETATM 124 O1 AIB A 10 14.750 -1.889 2.526 1.00 20.00 O HETATM 125 CB1 AIB A 10 12.486 -0.995 3.629 1.00 20.00 C HETATM 126 CB2 AIB A 10 11.856 -3.298 2.839 1.00 20.00 C HETATM 127 1HN AIB A 10 10.537 -1.727 1.363 1.00 20.00 H HETATM 128 1HB1 AIB A 10 11.974 -0.058 3.429 1.00 20.00 H HETATM 129 2HB1 AIB A 10 13.521 -0.788 3.825 1.00 20.00 H HETATM 130 3HB1 AIB A 10 12.056 -1.479 4.499 1.00 20.00 H HETATM 131 1HB2 AIB A 10 10.795 -3.248 3.063 1.00 20.00 H HETATM 132 2HB2 AIB A 10 12.380 -3.625 3.718 1.00 20.00 H HETATM 133 3HB2 AIB A 10 12.041 -4.007 2.039 1.00 20.00 H HETATM 134 N HYP A 11 13.886 -2.503 0.521 1.00 20.00 N HETATM 135 CA HYP A 11 15.225 -2.684 -0.051 1.00 20.00 C HETATM 136 C HYP A 11 15.800 -1.386 -0.613 1.00 20.00 C HETATM 137 O HYP A 11 16.527 -1.400 -1.604 1.00 20.00 O HETATM 138 CB HYP A 11 15.029 -3.708 -1.186 1.00 20.00 C HETATM 139 CG HYP A 11 13.551 -4.096 -1.170 1.00 20.00 C HETATM 140 CD HYP A 11 12.893 -2.915 -0.496 1.00 20.00 C HETATM 141 OD HYP A 11 13.335 -5.236 -0.355 1.00 20.00 O HETATM 142 HA HYP A 11 15.910 -3.086 0.681 1.00 20.00 H HETATM 143 1HB HYP A 11 15.660 -4.566 -1.005 1.00 20.00 H HETATM 144 2HB HYP A 11 15.302 -3.253 -2.127 1.00 20.00 H HETATM 145 1HD HYP A 11 12.720 -2.123 -1.208 1.00 20.00 H HETATM 146 2HD HYP A 11 11.967 -3.216 -0.032 1.00 20.00 H HETATM 147 HOD HYP A 11 13.519 -6.028 -0.865 1.00 20.00 H HETATM 148 HG HYP A 11 13.208 -4.138 -2.194 1.00 20.00 H ATOM 149 N GLN A 12 15.474 -0.266 0.025 1.00 20.00 N ATOM 150 CA GLN A 12 15.965 1.033 -0.419 1.00 20.00 C ATOM 151 C GLN A 12 17.182 1.460 0.396 1.00 20.00 C ATOM 152 O GLN A 12 17.907 2.385 -0.012 1.00 20.00 O ATOM 153 CB GLN A 12 14.863 2.088 -0.306 1.00 20.00 C ATOM 154 CG GLN A 12 13.926 2.118 -1.503 1.00 20.00 C ATOM 155 CD GLN A 12 14.669 2.140 -2.826 1.00 20.00 C ATOM 156 OE1 GLN A 12 15.001 1.092 -3.382 1.00 20.00 O ATOM 157 NE2 GLN A 12 14.934 3.336 -3.336 1.00 20.00 N ATOM 158 H GLN A 12 14.891 -0.316 0.812 1.00 20.00 H ATOM 159 HA GLN A 12 16.256 0.938 -1.455 1.00 20.00 H ATOM 160 1HB GLN A 12 14.276 1.885 0.578 1.00 20.00 H ATOM 161 2HB GLN A 12 15.320 3.061 -0.209 1.00 20.00 H ATOM 162 1HG GLN A 12 13.299 1.240 -1.476 1.00 20.00 H ATOM 163 2HG GLN A 12 13.309 3.002 -1.439 1.00 20.00 H ATOM 164 1HE2 GLN A 12 14.640 4.128 -2.839 1.00 20.00 H ATOM 165 2HE2 GLN A 12 15.412 3.379 -4.191 1.00 20.00 H HETATM 166 N DIV A 13 17.382 0.769 1.541 1.00 20.00 N HETATM 167 CA DIV A 13 18.513 1.053 2.448 1.00 20.00 C HETATM 168 CB1 DIV A 13 18.221 2.095 3.491 1.00 20.00 C HETATM 169 CG1 DIV A 13 17.802 3.428 2.891 1.00 20.00 C HETATM 170 CB2 DIV A 13 18.757 -0.018 3.502 1.00 20.00 C HETATM 171 C DIV A 13 19.802 1.338 1.637 1.00 20.00 C HETATM 172 O DIV A 13 20.524 2.259 2.010 1.00 20.00 O HETATM 173 1HN DIV A 13 16.754 0.053 1.780 1.00 20.00 H HETATM 174 1HB1 DIV A 13 19.106 2.268 4.087 1.00 20.00 H HETATM 175 2HB1 DIV A 13 17.421 1.760 4.138 1.00 20.00 H HETATM 176 1HG1 DIV A 13 16.892 3.301 2.319 1.00 20.00 H HETATM 177 2HG1 DIV A 13 18.585 3.804 2.245 1.00 20.00 H HETATM 178 3HG1 DIV A 13 17.626 4.137 3.685 1.00 20.00 H HETATM 179 1HB2 DIV A 13 18.986 -0.957 3.022 1.00 20.00 H HETATM 180 2HB2 DIV A 13 17.875 -0.137 4.113 1.00 20.00 H HETATM 181 3HB2 DIV A 13 19.588 0.272 4.130 1.00 20.00 H HETATM 182 N HYP A 14 20.085 0.566 0.527 1.00 20.00 N HETATM 183 CA HYP A 14 21.281 0.804 -0.296 1.00 20.00 C HETATM 184 C HYP A 14 22.129 2.015 0.125 1.00 20.00 C HETATM 185 O HYP A 14 23.304 1.828 0.471 1.00 20.00 O HETATM 186 CB HYP A 14 22.052 -0.493 -0.056 1.00 20.00 C HETATM 187 CG HYP A 14 20.981 -1.579 -0.132 1.00 20.00 C HETATM 188 CD HYP A 14 19.713 -0.868 0.324 1.00 20.00 C HETATM 189 OD HYP A 14 21.250 -2.620 0.794 1.00 20.00 O HETATM 190 HA HYP A 14 21.027 0.878 -1.357 1.00 20.00 H HETATM 191 1HB HYP A 14 22.530 -0.473 0.923 1.00 20.00 H HETATM 192 2HB HYP A 14 22.800 -0.618 -0.826 1.00 20.00 H HETATM 193 1HD HYP A 14 18.949 -0.954 -0.434 1.00 20.00 H HETATM 194 2HD HYP A 14 19.365 -1.305 1.247 1.00 20.00 H HETATM 195 HOD HYP A 14 21.122 -3.467 0.363 1.00 20.00 H HETATM 196 HG HYP A 14 20.862 -1.852 -1.170 1.00 20.00 H HETATM 197 N AIB A 15 21.509 3.237 0.089 1.00 20.00 N HETATM 198 CA AIB A 15 22.192 4.485 0.467 1.00 20.00 C HETATM 199 C AIB A 15 23.718 4.289 0.574 1.00 20.00 C HETATM 200 O1 AIB A 15 24.444 4.694 -0.334 1.00 20.00 O HETATM 201 CB1 AIB A 15 21.954 5.558 -0.596 1.00 20.00 C HETATM 202 CB2 AIB A 15 21.705 4.961 1.836 1.00 20.00 C HETATM 203 1HN AIB A 15 20.571 3.309 -0.187 1.00 20.00 H HETATM 204 1HB1 AIB A 15 20.964 5.432 -1.020 1.00 20.00 H HETATM 205 2HB1 AIB A 15 22.680 5.469 -1.382 1.00 20.00 H HETATM 206 3HB1 AIB A 15 22.048 6.540 -0.145 1.00 20.00 H HETATM 207 1HB2 AIB A 15 20.819 5.574 1.710 1.00 20.00 H HETATM 208 2HB2 AIB A 15 22.466 5.549 2.315 1.00 20.00 H HETATM 209 3HB2 AIB A 15 21.484 4.102 2.459 1.00 20.00 H ATOM 210 N PRO A 16 24.230 3.680 1.689 1.00 20.00 N ATOM 211 CA PRO A 16 25.682 3.494 1.818 1.00 20.00 C ATOM 212 C PRO A 16 26.372 3.237 0.482 1.00 20.00 C ATOM 213 O PRO A 16 27.527 3.618 0.289 1.00 20.00 O ATOM 214 CB PRO A 16 25.796 2.271 2.716 1.00 20.00 C ATOM 215 CG PRO A 16 24.646 2.394 3.647 1.00 20.00 C ATOM 216 CD PRO A 16 23.542 3.062 2.867 1.00 20.00 C ATOM 217 HA PRO A 16 26.146 4.341 2.301 1.00 20.00 H ATOM 218 1HB PRO A 16 25.729 1.373 2.117 1.00 20.00 H ATOM 219 2HB PRO A 16 26.737 2.293 3.244 1.00 20.00 H ATOM 220 1HG PRO A 16 24.334 1.414 3.974 1.00 20.00 H ATOM 221 2HG PRO A 16 24.925 3.002 4.494 1.00 20.00 H ATOM 222 1HD PRO A 16 22.817 2.329 2.544 1.00 20.00 H ATOM 223 2HD PRO A 16 23.064 3.819 3.471 1.00 20.00 H HETATM 224 C PDH A 17 26.073 0.714 -1.991 1.00 20.00 C HETATM 225 O PDH A 17 26.066 0.366 -3.365 1.00 20.00 O HETATM 226 CA PDH A 17 26.245 2.272 -1.801 1.00 20.00 C HETATM 227 N PDH A 17 25.664 2.588 -0.436 1.00 20.00 N HETATM 228 CB PDH A 17 26.064 3.245 -2.934 1.00 20.00 C HETATM 229 CG PDH A 17 27.307 3.512 -3.750 1.00 20.00 C HETATM 230 CD1 PDH A 17 27.951 2.479 -4.422 1.00 20.00 C HETATM 231 CD2 PDH A 17 27.826 4.798 -3.842 1.00 20.00 C HETATM 232 CE1 PDH A 17 29.092 2.724 -5.172 1.00 20.00 C HETATM 233 CE2 PDH A 17 28.966 5.049 -4.590 1.00 20.00 C HETATM 234 CZ PDH A 17 29.599 4.012 -5.255 1.00 20.00 C HETATM 235 H1 PDH A 17 25.140 0.399 -1.548 1.00 20.00 H HETATM 236 H2 PDH A 17 26.893 0.202 -1.507 1.00 20.00 H HETATM 237 HO PDH A 17 25.353 0.833 -3.809 1.00 20.00 H HETATM 238 HA PDH A 17 27.179 2.506 -1.810 1.00 20.00 H HETATM 239 1HB PDH A 17 25.727 4.189 -2.530 1.00 20.00 H HETATM 240 2HB PDH A 17 25.310 2.862 -3.605 1.00 20.00 H HETATM 241 HD1 PDH A 17 27.555 1.476 -4.357 1.00 20.00 H HETATM 242 HD2 PDH A 17 27.335 5.608 -3.324 1.00 20.00 H HETATM 243 HE1 PDH A 17 29.585 1.914 -5.689 1.00 20.00 H HETATM 244 HE2 PDH A 17 29.361 6.053 -4.653 1.00 20.00 H HETATM 245 HZ PDH A 17 30.487 4.206 -5.838 1.00 20.00 H HETATM 246 HN PDH A 17 24.750 2.306 -0.227 1.00 20.00 H TER 247 PDH A 17 ENDMDL MODEL 12 HETATM 1 C ACE A 1 2.955 3.977 -0.917 1.00 20.00 C HETATM 2 O ACE A 1 1.886 4.590 -0.941 1.00 20.00 O HETATM 3 CH3 ACE A 1 3.532 5.255 -0.258 1.00 20.00 C HETATM 4 1H ACE A 1 3.305 6.119 -0.871 1.00 20.00 H HETATM 5 2H ACE A 1 4.604 5.167 -0.160 1.00 20.00 H HETATM 6 3H ACE A 1 3.095 5.394 0.719 1.00 20.00 H ATOM 7 N PHE A 2 3.177 2.982 -0.035 1.00 20.00 N ATOM 8 CA PHE A 2 2.076 2.836 0.912 1.00 20.00 C ATOM 9 C PHE A 2 2.459 1.899 2.054 1.00 20.00 C ATOM 10 O PHE A 2 3.642 1.540 2.190 1.00 20.00 O ATOM 11 CB PHE A 2 0.831 2.305 0.204 1.00 20.00 C ATOM 12 CG PHE A 2 -0.438 2.975 0.646 1.00 20.00 C ATOM 13 CD1 PHE A 2 -0.491 4.350 0.801 1.00 20.00 C ATOM 14 CD2 PHE A 2 -1.578 2.231 0.911 1.00 20.00 C ATOM 15 CE1 PHE A 2 -1.654 4.973 1.211 1.00 20.00 C ATOM 16 CE2 PHE A 2 -2.745 2.848 1.322 1.00 20.00 C ATOM 17 CZ PHE A 2 -2.782 4.220 1.472 1.00 20.00 C ATOM 18 H PHE A 2 3.869 3.227 0.615 1.00 20.00 H ATOM 19 HA PHE A 2 1.859 3.811 1.321 1.00 20.00 H ATOM 20 1HB PHE A 2 0.935 2.458 -0.859 1.00 20.00 H ATOM 21 2HB PHE A 2 0.736 1.246 0.403 1.00 20.00 H ATOM 22 HD1 PHE A 2 0.391 4.940 0.596 1.00 20.00 H ATOM 23 HD2 PHE A 2 -1.548 1.158 0.793 1.00 20.00 H ATOM 24 HE1 PHE A 2 -1.681 6.045 1.328 1.00 20.00 H ATOM 25 HE2 PHE A 2 -3.626 2.256 1.525 1.00 20.00 H ATOM 26 HZ PHE A 2 -3.693 4.704 1.793 1.00 20.00 H HETATM 27 N AIB A 3 1.436 1.518 2.856 1.00 20.00 N HETATM 28 CA AIB A 3 1.630 0.617 4.001 1.00 20.00 C HETATM 29 C AIB A 3 2.040 -0.793 3.533 1.00 20.00 C HETATM 30 O1 AIB A 3 1.292 -1.750 3.799 1.00 20.00 O HETATM 31 CB1 AIB A 3 0.326 0.456 4.779 1.00 20.00 C HETATM 32 CB2 AIB A 3 2.743 1.141 4.908 1.00 20.00 C HETATM 33 1HN AIB A 3 0.533 1.852 2.671 1.00 20.00 H HETATM 34 1HB1 AIB A 3 -0.460 0.147 4.100 1.00 20.00 H HETATM 35 2HB1 AIB A 3 0.048 1.388 5.231 1.00 20.00 H HETATM 36 3HB1 AIB A 3 0.465 -0.284 5.560 1.00 20.00 H HETATM 37 1HB2 AIB A 3 3.214 0.308 5.420 1.00 20.00 H HETATM 38 2HB2 AIB A 3 2.337 1.811 5.642 1.00 20.00 H HETATM 39 3HB2 AIB A 3 3.473 1.678 4.310 1.00 20.00 H HETATM 40 N AIB A 4 3.217 -0.889 2.845 1.00 20.00 N HETATM 41 CA AIB A 4 3.726 -2.171 2.339 1.00 20.00 C HETATM 42 C AIB A 4 4.693 -1.956 1.159 1.00 20.00 C HETATM 43 O1 AIB A 4 5.504 -2.857 0.901 1.00 20.00 O HETATM 44 CB1 AIB A 4 4.501 -2.902 3.436 1.00 20.00 C HETATM 45 CB2 AIB A 4 2.580 -3.035 1.816 1.00 20.00 C HETATM 46 1HN AIB A 4 3.762 -0.089 2.664 1.00 20.00 H HETATM 47 1HB1 AIB A 4 4.934 -2.178 4.116 1.00 20.00 H HETATM 48 2HB1 AIB A 4 5.292 -3.485 3.003 1.00 20.00 H HETATM 49 3HB1 AIB A 4 3.829 -3.566 3.969 1.00 20.00 H HETATM 50 1HB2 AIB A 4 2.967 -3.744 1.092 1.00 20.00 H HETATM 51 2HB2 AIB A 4 1.842 -2.420 1.336 1.00 20.00 H HETATM 52 3HB2 AIB A 4 2.114 -3.557 2.644 1.00 20.00 H HETATM 53 N AIB A 5 4.576 -0.768 0.480 1.00 20.00 N HETATM 54 CA AIB A 5 5.430 -0.425 -0.667 1.00 20.00 C HETATM 55 C AIB A 5 6.657 -1.355 -0.758 1.00 20.00 C HETATM 56 O1 AIB A 5 7.752 -0.933 -0.351 1.00 20.00 O HETATM 57 CB1 AIB A 5 4.643 -0.538 -1.973 1.00 20.00 C HETATM 58 CB2 AIB A 5 5.981 0.989 -0.487 1.00 20.00 C HETATM 59 1HN AIB A 5 3.905 -0.094 0.742 1.00 20.00 H HETATM 60 1HB1 AIB A 5 3.693 -0.027 -1.866 1.00 20.00 H HETATM 61 2HB1 AIB A 5 4.455 -1.567 -2.210 1.00 20.00 H HETATM 62 3HB1 AIB A 5 5.219 -0.095 -2.779 1.00 20.00 H HETATM 63 1HB2 AIB A 5 6.884 1.102 -1.076 1.00 20.00 H HETATM 64 2HB2 AIB A 5 6.216 1.164 0.545 1.00 20.00 H HETATM 65 3HB2 AIB A 5 5.233 1.709 -0.802 1.00 20.00 H HETATM 66 N DIV A 6 6.448 -2.603 -1.288 1.00 20.00 N HETATM 67 CA DIV A 6 7.536 -3.591 -1.430 1.00 20.00 C HETATM 68 CB1 DIV A 6 7.041 -5.012 -1.608 1.00 20.00 C HETATM 69 CG1 DIV A 6 8.134 -6.052 -1.411 1.00 20.00 C HETATM 70 CB2 DIV A 6 8.227 -3.551 -2.787 1.00 20.00 C HETATM 71 C DIV A 6 8.584 -3.403 -0.304 1.00 20.00 C HETATM 72 O DIV A 6 9.733 -3.057 -0.578 1.00 20.00 O HETATM 73 1HN DIV A 6 5.554 -2.885 -1.593 1.00 20.00 H HETATM 74 1HB1 DIV A 6 6.631 -5.146 -2.599 1.00 20.00 H HETATM 75 2HB1 DIV A 6 6.268 -5.215 -0.882 1.00 20.00 H HETATM 76 1HG1 DIV A 6 8.546 -5.965 -0.414 1.00 20.00 H HETATM 77 2HG1 DIV A 6 8.918 -5.904 -2.139 1.00 20.00 H HETATM 78 3HG1 DIV A 6 7.712 -7.038 -1.538 1.00 20.00 H HETATM 79 1HB2 DIV A 6 8.559 -2.545 -2.995 1.00 20.00 H HETATM 80 2HB2 DIV A 6 7.541 -3.862 -3.561 1.00 20.00 H HETATM 81 3HB2 DIV A 6 9.081 -4.209 -2.784 1.00 20.00 H ATOM 82 N GLY A 7 8.170 -3.641 0.960 1.00 20.00 N ATOM 83 CA GLY A 7 9.098 -3.491 2.069 1.00 20.00 C ATOM 84 C GLY A 7 9.385 -2.039 2.418 1.00 20.00 C ATOM 85 O GLY A 7 10.457 -1.731 2.938 1.00 20.00 O ATOM 86 H GLY A 7 7.241 -3.922 1.145 1.00 20.00 H ATOM 87 1HA GLY A 7 10.027 -3.976 1.810 1.00 20.00 H ATOM 88 2HA GLY A 7 8.684 -3.981 2.939 1.00 20.00 H ATOM 89 N LEU A 8 8.425 -1.154 2.132 1.00 20.00 N ATOM 90 CA LEU A 8 8.556 0.279 2.416 1.00 20.00 C ATOM 91 C LEU A 8 10.013 0.705 2.569 1.00 20.00 C ATOM 92 O LEU A 8 10.403 1.195 3.643 1.00 20.00 O ATOM 93 CB LEU A 8 7.774 0.644 3.679 1.00 20.00 C ATOM 94 CG LEU A 8 7.731 -0.442 4.757 1.00 20.00 C ATOM 95 CD1 LEU A 8 8.894 -0.280 5.722 1.00 20.00 C ATOM 96 CD2 LEU A 8 6.407 -0.395 5.504 1.00 20.00 C ATOM 97 H LEU A 8 7.595 -1.474 1.721 1.00 20.00 H ATOM 98 HA LEU A 8 8.132 0.813 1.580 1.00 20.00 H ATOM 99 1HB LEU A 8 8.223 1.529 4.108 1.00 20.00 H ATOM 100 2HB LEU A 8 6.760 0.878 3.394 1.00 20.00 H ATOM 101 HG LEU A 8 7.818 -1.412 4.287 1.00 20.00 H ATOM 102 1HD1 LEU A 8 8.929 0.740 6.073 1.00 20.00 H ATOM 103 2HD1 LEU A 8 8.761 -0.946 6.562 1.00 20.00 H ATOM 104 3HD1 LEU A 8 9.818 -0.519 5.216 1.00 20.00 H ATOM 105 1HD2 LEU A 8 5.620 -0.107 4.823 1.00 20.00 H ATOM 106 2HD2 LEU A 8 6.189 -1.370 5.914 1.00 20.00 H ATOM 107 3HD2 LEU A 8 6.471 0.326 6.305 1.00 20.00 H HETATM 108 N AIB A 9 10.788 0.507 1.481 1.00 20.00 N HETATM 109 CA AIB A 9 12.214 0.860 1.458 1.00 20.00 C HETATM 110 C AIB A 9 13.006 -0.098 0.546 1.00 20.00 C HETATM 111 O1 AIB A 9 13.948 0.360 -0.122 1.00 20.00 O HETATM 112 CB1 AIB A 9 12.405 2.274 0.907 1.00 20.00 C HETATM 113 CB2 AIB A 9 12.809 0.740 2.860 1.00 20.00 C HETATM 114 1HN AIB A 9 10.391 0.113 0.677 1.00 20.00 H HETATM 115 1HB1 AIB A 9 13.154 2.791 1.495 1.00 20.00 H HETATM 116 2HB1 AIB A 9 11.483 2.820 0.964 1.00 20.00 H HETATM 117 3HB1 AIB A 9 12.713 2.217 -0.131 1.00 20.00 H HETATM 118 1HB2 AIB A 9 13.854 0.459 2.786 1.00 20.00 H HETATM 119 2HB2 AIB A 9 12.289 -0.015 3.420 1.00 20.00 H HETATM 120 3HB2 AIB A 9 12.710 1.687 3.376 1.00 20.00 H HETATM 121 N AIB A 10 12.600 -1.406 0.536 1.00 20.00 N HETATM 122 CA AIB A 10 13.263 -2.426 -0.291 1.00 20.00 C HETATM 123 C AIB A 10 13.796 -1.819 -1.606 1.00 20.00 C HETATM 124 O1 AIB A 10 14.851 -2.237 -2.081 1.00 20.00 O HETATM 125 CB1 AIB A 10 14.455 -3.028 0.451 1.00 20.00 C HETATM 126 CB2 AIB A 10 12.260 -3.513 -0.678 1.00 20.00 C HETATM 127 1HN AIB A 10 11.835 -1.709 1.088 1.00 20.00 H HETATM 128 1HB1 AIB A 10 14.096 -3.637 1.274 1.00 20.00 H HETATM 129 2HB1 AIB A 10 15.077 -2.250 0.845 1.00 20.00 H HETATM 130 3HB1 AIB A 10 15.040 -3.629 -0.236 1.00 20.00 H HETATM 131 1HB2 AIB A 10 11.648 -3.762 0.182 1.00 20.00 H HETATM 132 2HB2 AIB A 10 12.780 -4.396 -0.999 1.00 20.00 H HETATM 133 3HB2 AIB A 10 11.639 -3.157 -1.494 1.00 20.00 H HETATM 134 N HYP A 11 13.075 -0.830 -2.222 1.00 20.00 N HETATM 135 CA HYP A 11 13.576 -0.256 -3.482 1.00 20.00 C HETATM 136 C HYP A 11 14.574 0.884 -3.280 1.00 20.00 C HETATM 137 O HYP A 11 15.610 0.935 -3.945 1.00 20.00 O HETATM 138 CB HYP A 11 12.318 0.274 -4.195 1.00 20.00 C HETATM 139 CG HYP A 11 11.129 -0.227 -3.382 1.00 20.00 C HETATM 140 CD HYP A 11 11.703 -0.320 -1.988 1.00 20.00 C HETATM 141 OD HYP A 11 10.751 -1.534 -3.783 1.00 20.00 O HETATM 142 HA HYP A 11 14.037 -1.017 -4.096 1.00 20.00 H HETATM 143 1HB HYP A 11 12.290 -0.109 -5.206 1.00 20.00 H HETATM 144 2HB HYP A 11 12.347 1.354 -4.220 1.00 20.00 H HETATM 145 1HD HYP A 11 11.728 0.655 -1.524 1.00 20.00 H HETATM 146 2HD HYP A 11 11.128 -1.010 -1.390 1.00 20.00 H HETATM 147 HOD HYP A 11 11.385 -1.862 -4.425 1.00 20.00 H HETATM 148 HG HYP A 11 10.371 0.542 -3.390 1.00 20.00 H ATOM 149 N GLN A 12 14.254 1.811 -2.381 1.00 20.00 N ATOM 150 CA GLN A 12 15.123 2.959 -2.125 1.00 20.00 C ATOM 151 C GLN A 12 16.119 2.684 -1.002 1.00 20.00 C ATOM 152 O GLN A 12 16.891 3.589 -0.635 1.00 20.00 O ATOM 153 CB GLN A 12 14.285 4.195 -1.787 1.00 20.00 C ATOM 154 CG GLN A 12 13.636 4.846 -3.000 1.00 20.00 C ATOM 155 CD GLN A 12 14.489 4.739 -4.248 1.00 20.00 C ATOM 156 OE1 GLN A 12 15.532 5.384 -4.360 1.00 20.00 O ATOM 157 NE2 GLN A 12 14.048 3.920 -5.195 1.00 20.00 N ATOM 158 H GLN A 12 13.409 1.731 -1.891 1.00 20.00 H ATOM 159 HA GLN A 12 15.679 3.155 -3.028 1.00 20.00 H ATOM 160 1HB GLN A 12 13.503 3.908 -1.100 1.00 20.00 H ATOM 161 2HB GLN A 12 14.920 4.927 -1.310 1.00 20.00 H ATOM 162 1HG GLN A 12 12.690 4.362 -3.189 1.00 20.00 H ATOM 163 2HG GLN A 12 13.469 5.891 -2.784 1.00 20.00 H ATOM 164 1HE2 GLN A 12 13.210 3.438 -5.036 1.00 20.00 H ATOM 165 2HE2 GLN A 12 14.579 3.830 -6.015 1.00 20.00 H HETATM 166 N DIV A 13 16.091 1.439 -0.476 1.00 20.00 N HETATM 167 CA DIV A 13 17.000 1.025 0.611 1.00 20.00 C HETATM 168 CB1 DIV A 13 16.536 1.424 1.973 1.00 20.00 C HETATM 169 CG1 DIV A 13 16.431 2.933 2.145 1.00 20.00 C HETATM 170 CB2 DIV A 13 16.949 -0.457 0.958 1.00 20.00 C HETATM 171 C DIV A 13 18.450 1.476 0.305 1.00 20.00 C HETATM 172 O DIV A 13 19.105 1.955 1.214 1.00 20.00 O HETATM 173 1HN DIV A 13 15.448 0.787 -0.828 1.00 20.00 H HETATM 174 1HB1 DIV A 13 17.228 1.057 2.716 1.00 20.00 H HETATM 175 2HB1 DIV A 13 15.559 1.004 2.162 1.00 20.00 H HETATM 176 1HG1 DIV A 13 16.130 3.156 3.158 1.00 20.00 H HETATM 177 2HG1 DIV A 13 15.694 3.327 1.460 1.00 20.00 H HETATM 178 3HG1 DIV A 13 17.390 3.395 1.949 1.00 20.00 H HETATM 179 1HB2 DIV A 13 15.966 -0.715 1.323 1.00 20.00 H HETATM 180 2HB2 DIV A 13 17.680 -0.679 1.723 1.00 20.00 H HETATM 181 3HB2 DIV A 13 17.166 -1.045 0.079 1.00 20.00 H HETATM 182 N HYP A 14 18.937 1.343 -0.976 1.00 20.00 N HETATM 183 CA HYP A 14 20.295 1.780 -1.355 1.00 20.00 C HETATM 184 C HYP A 14 21.179 2.342 -0.228 1.00 20.00 C HETATM 185 O HYP A 14 22.283 1.821 -0.026 1.00 20.00 O HETATM 186 CB HYP A 14 20.886 0.469 -1.872 1.00 20.00 C HETATM 187 CG HYP A 14 19.763 -0.130 -2.711 1.00 20.00 C HETATM 188 CD HYP A 14 18.505 0.319 -1.979 1.00 20.00 C HETATM 189 OD HYP A 14 19.800 -1.547 -2.675 1.00 20.00 O HETATM 190 HA HYP A 14 20.256 2.501 -2.172 1.00 20.00 H HETATM 191 1HB HYP A 14 21.151 -0.182 -1.038 1.00 20.00 H HETATM 192 2HB HYP A 14 21.762 0.674 -2.469 1.00 20.00 H HETATM 193 1HD HYP A 14 17.807 0.753 -2.680 1.00 20.00 H HETATM 194 2HD HYP A 14 18.054 -0.525 -1.482 1.00 20.00 H HETATM 195 HOD HYP A 14 19.239 -1.907 -3.366 1.00 20.00 H HETATM 196 HG HYP A 14 19.782 0.348 -3.680 1.00 20.00 H HETATM 197 N AIB A 15 20.689 3.409 0.466 1.00 20.00 N HETATM 198 CA AIB A 15 21.440 4.061 1.551 1.00 20.00 C HETATM 199 C AIB A 15 22.568 3.156 2.091 1.00 20.00 C HETATM 200 O1 AIB A 15 23.727 3.362 1.732 1.00 20.00 O HETATM 201 CB1 AIB A 15 22.105 5.330 1.020 1.00 20.00 C HETATM 202 CB2 AIB A 15 20.511 4.385 2.721 1.00 20.00 C HETATM 203 1HN AIB A 15 19.810 3.775 0.242 1.00 20.00 H HETATM 204 1HB1 AIB A 15 22.175 5.276 -0.061 1.00 20.00 H HETATM 205 2HB1 AIB A 15 23.095 5.426 1.426 1.00 20.00 H HETATM 206 3HB1 AIB A 15 21.521 6.195 1.317 1.00 20.00 H HETATM 207 1HB2 AIB A 15 21.065 4.312 3.652 1.00 20.00 H HETATM 208 2HB2 AIB A 15 19.695 3.689 2.750 1.00 20.00 H HETATM 209 3HB2 AIB A 15 20.113 5.387 2.598 1.00 20.00 H ATOM 210 N PRO A 16 22.257 2.162 2.984 1.00 20.00 N ATOM 211 CA PRO A 16 23.310 1.305 3.537 1.00 20.00 C ATOM 212 C PRO A 16 24.481 1.082 2.581 1.00 20.00 C ATOM 213 O PRO A 16 25.635 1.030 3.007 1.00 20.00 O ATOM 214 CB PRO A 16 22.589 -0.012 3.815 1.00 20.00 C ATOM 215 CG PRO A 16 21.155 0.347 4.040 1.00 20.00 C ATOM 216 CD PRO A 16 20.965 1.783 3.609 1.00 20.00 C ATOM 217 HA PRO A 16 23.687 1.707 4.466 1.00 20.00 H ATOM 218 1HB PRO A 16 22.702 -0.670 2.967 1.00 20.00 H ATOM 219 2HB PRO A 16 23.017 -0.478 4.695 1.00 20.00 H ATOM 220 1HG PRO A 16 20.524 -0.299 3.448 1.00 20.00 H ATOM 221 2HG PRO A 16 20.915 0.238 5.087 1.00 20.00 H ATOM 222 1HD PRO A 16 20.165 1.850 2.897 1.00 20.00 H ATOM 223 2HD PRO A 16 20.756 2.410 4.459 1.00 20.00 H HETATM 224 C PDH A 17 24.821 -0.549 -0.559 1.00 20.00 C HETATM 225 O PDH A 17 25.105 -0.402 -1.939 1.00 20.00 O HETATM 226 CA PDH A 17 25.263 0.732 0.251 1.00 20.00 C HETATM 227 N PDH A 17 24.185 0.955 1.292 1.00 20.00 N HETATM 228 CB PDH A 17 25.909 1.920 -0.414 1.00 20.00 C HETATM 229 CG PDH A 17 27.380 2.103 -0.122 1.00 20.00 C HETATM 230 CD1 PDH A 17 28.340 1.447 -0.884 1.00 20.00 C HETATM 231 CD2 PDH A 17 27.797 2.934 0.912 1.00 20.00 C HETATM 232 CE1 PDH A 17 29.691 1.615 -0.620 1.00 20.00 C HETATM 233 CE2 PDH A 17 29.146 3.106 1.181 1.00 20.00 C HETATM 234 CZ PDH A 17 30.094 2.446 0.414 1.00 20.00 C HETATM 235 H1 PDH A 17 23.757 -0.700 -0.437 1.00 20.00 H HETATM 236 H2 PDH A 17 25.352 -1.412 -0.185 1.00 20.00 H HETATM 237 HO PDH A 17 26.023 -0.143 -2.050 1.00 20.00 H HETATM 238 HA PDH A 17 26.105 0.571 0.687 1.00 20.00 H HETATM 239 1HB PDH A 17 25.396 2.816 -0.094 1.00 20.00 H HETATM 240 2HB PDH A 17 25.799 1.819 -1.484 1.00 20.00 H HETATM 241 HD1 PDH A 17 28.027 0.799 -1.689 1.00 20.00 H HETATM 242 HD2 PDH A 17 27.058 3.448 1.510 1.00 20.00 H HETATM 243 HE1 PDH A 17 30.427 1.100 -1.218 1.00 20.00 H HETATM 244 HE2 PDH A 17 29.458 3.753 1.988 1.00 20.00 H HETATM 245 HZ PDH A 17 31.145 2.579 0.622 1.00 20.00 H HETATM 246 HN PDH A 17 23.249 1.008 1.005 1.00 20.00 H TER 247 PDH A 17 ENDMDL MODEL 13 HETATM 1 C ACE A 1 0.512 4.339 -0.561 1.00 20.00 C HETATM 2 O ACE A 1 -0.654 4.585 -0.248 1.00 20.00 O HETATM 3 CH3 ACE A 1 0.890 5.356 0.543 1.00 20.00 C HETATM 4 1H ACE A 1 1.963 5.405 0.645 1.00 20.00 H HETATM 5 2H ACE A 1 0.455 5.056 1.485 1.00 20.00 H HETATM 6 3H ACE A 1 0.516 6.336 0.279 1.00 20.00 H ATOM 7 N PHE A 2 1.100 3.177 -0.218 1.00 20.00 N ATOM 8 CA PHE A 2 0.243 2.353 0.636 1.00 20.00 C ATOM 9 C PHE A 2 1.068 1.553 1.643 1.00 20.00 C ATOM 10 O PHE A 2 2.282 1.378 1.445 1.00 20.00 O ATOM 11 CB PHE A 2 -0.591 1.396 -0.219 1.00 20.00 C ATOM 12 CG PHE A 2 -2.023 1.815 -0.380 1.00 20.00 C ATOM 13 CD1 PHE A 2 -2.542 2.082 -1.637 1.00 20.00 C ATOM 14 CD2 PHE A 2 -2.852 1.936 0.724 1.00 20.00 C ATOM 15 CE1 PHE A 2 -3.861 2.462 -1.790 1.00 20.00 C ATOM 16 CE2 PHE A 2 -4.173 2.316 0.577 1.00 20.00 C ATOM 17 CZ PHE A 2 -4.678 2.580 -0.682 1.00 20.00 C ATOM 18 H PHE A 2 1.824 3.327 0.427 1.00 20.00 H ATOM 19 HA PHE A 2 -0.422 3.012 1.175 1.00 20.00 H ATOM 20 1HB PHE A 2 -0.152 1.331 -1.203 1.00 20.00 H ATOM 21 2HB PHE A 2 -0.580 0.417 0.238 1.00 20.00 H ATOM 22 HD1 PHE A 2 -1.904 1.991 -2.503 1.00 20.00 H ATOM 23 HD2 PHE A 2 -2.458 1.729 1.708 1.00 20.00 H ATOM 24 HE1 PHE A 2 -4.254 2.667 -2.775 1.00 20.00 H ATOM 25 HE2 PHE A 2 -4.809 2.408 1.444 1.00 20.00 H ATOM 26 HZ PHE A 2 -5.709 2.876 -0.800 1.00 20.00 H HETATM 27 N AIB A 3 0.382 1.081 2.709 1.00 20.00 N HETATM 28 CA AIB A 3 1.026 0.289 3.767 1.00 20.00 C HETATM 29 C AIB A 3 1.506 -1.072 3.227 1.00 20.00 C HETATM 30 O1 AIB A 3 1.098 -2.108 3.776 1.00 20.00 O HETATM 31 CB1 AIB A 3 0.035 -0.004 4.892 1.00 20.00 C HETATM 32 CB2 AIB A 3 2.254 1.024 4.304 1.00 20.00 C HETATM 33 1HN AIB A 3 -0.577 1.267 2.780 1.00 20.00 H HETATM 34 1HB1 AIB A 3 -0.779 -0.606 4.505 1.00 20.00 H HETATM 35 2HB1 AIB A 3 -0.365 0.913 5.278 1.00 20.00 H HETATM 36 3HB1 AIB A 3 0.547 -0.528 5.692 1.00 20.00 H HETATM 37 1HB2 AIB A 3 2.945 1.209 3.489 1.00 20.00 H HETATM 38 2HB2 AIB A 3 2.747 0.427 5.046 1.00 20.00 H HETATM 39 3HB2 AIB A 3 1.944 1.960 4.757 1.00 20.00 H HETATM 40 N AIB A 4 2.362 -1.036 2.162 1.00 20.00 N HETATM 41 CA AIB A 4 2.896 -2.258 1.544 1.00 20.00 C HETATM 42 C AIB A 4 3.887 -1.922 0.412 1.00 20.00 C HETATM 43 O1 AIB A 4 4.812 -2.720 0.189 1.00 20.00 O HETATM 44 CB1 AIB A 4 3.654 -3.089 2.577 1.00 20.00 C HETATM 45 CB2 AIB A 4 1.767 -3.073 0.913 1.00 20.00 C HETATM 46 1HN AIB A 4 2.645 -0.177 1.773 1.00 20.00 H HETATM 47 1HB1 AIB A 4 4.704 -3.128 2.308 1.00 20.00 H HETATM 48 2HB1 AIB A 4 3.267 -4.090 2.603 1.00 20.00 H HETATM 49 3HB1 AIB A 4 3.532 -2.643 3.559 1.00 20.00 H HETATM 50 1HB2 AIB A 4 1.820 -2.987 -0.167 1.00 20.00 H HETATM 51 2HB2 AIB A 4 0.815 -2.703 1.242 1.00 20.00 H HETATM 52 3HB2 AIB A 4 1.860 -4.112 1.213 1.00 20.00 H HETATM 53 N AIB A 5 3.664 -0.752 -0.274 1.00 20.00 N HETATM 54 CA AIB A 5 4.527 -0.308 -1.380 1.00 20.00 C HETATM 55 C AIB A 5 5.859 -1.086 -1.402 1.00 20.00 C HETATM 56 O1 AIB A 5 6.867 -0.558 -0.903 1.00 20.00 O HETATM 57 CB1 AIB A 5 3.828 -0.568 -2.714 1.00 20.00 C HETATM 58 CB2 AIB A 5 4.858 1.176 -1.220 1.00 20.00 C HETATM 59 1HN AIB A 5 2.905 -0.163 -0.050 1.00 20.00 H HETATM 60 1HB1 AIB A 5 2.938 0.050 -2.781 1.00 20.00 H HETATM 61 2HB1 AIB A 5 3.539 -1.599 -2.785 1.00 20.00 H HETATM 62 3HB1 AIB A 5 4.508 -0.338 -3.528 1.00 20.00 H HETATM 63 1HB2 AIB A 5 4.282 1.586 -0.397 1.00 20.00 H HETATM 64 2HB2 AIB A 5 4.606 1.711 -2.116 1.00 20.00 H HETATM 65 3HB2 AIB A 5 5.920 1.294 -1.030 1.00 20.00 H HETATM 66 N DIV A 6 5.834 -2.329 -1.982 1.00 20.00 N HETATM 67 CA DIV A 6 7.037 -3.182 -2.072 1.00 20.00 C HETATM 68 CB1 DIV A 6 6.747 -4.633 -2.313 1.00 20.00 C HETATM 69 CG1 DIV A 6 6.022 -5.299 -1.153 1.00 20.00 C HETATM 70 CB2 DIV A 6 7.778 -3.053 -3.397 1.00 20.00 C HETATM 71 C DIV A 6 7.979 -2.919 -0.872 1.00 20.00 C HETATM 72 O DIV A 6 9.111 -2.468 -1.054 1.00 20.00 O HETATM 73 1HN DIV A 6 5.001 -2.698 -2.364 1.00 20.00 H HETATM 74 1HB1 DIV A 6 7.672 -5.170 -2.469 1.00 20.00 H HETATM 75 2HB1 DIV A 6 6.126 -4.739 -3.191 1.00 20.00 H HETATM 76 1HG1 DIV A 6 6.643 -5.266 -0.269 1.00 20.00 H HETATM 77 2HG1 DIV A 6 5.818 -6.329 -1.406 1.00 20.00 H HETATM 78 3HG1 DIV A 6 5.088 -4.788 -0.959 1.00 20.00 H HETATM 79 1HB2 DIV A 6 8.601 -3.753 -3.426 1.00 20.00 H HETATM 80 2HB2 DIV A 6 8.161 -2.050 -3.507 1.00 20.00 H HETATM 81 3HB2 DIV A 6 7.103 -3.266 -4.213 1.00 20.00 H ATOM 82 N GLY A 7 7.497 -3.216 0.356 1.00 20.00 N ATOM 83 CA GLY A 7 8.323 -3.007 1.534 1.00 20.00 C ATOM 84 C GLY A 7 8.459 -1.544 1.910 1.00 20.00 C ATOM 85 O GLY A 7 9.428 -1.156 2.561 1.00 20.00 O ATOM 86 H GLY A 7 6.587 -3.583 0.468 1.00 20.00 H ATOM 87 1HA GLY A 7 9.306 -3.412 1.346 1.00 20.00 H ATOM 88 2HA GLY A 7 7.882 -3.538 2.364 1.00 20.00 H ATOM 89 N LEU A 8 7.482 -0.734 1.511 1.00 20.00 N ATOM 90 CA LEU A 8 7.488 0.696 1.808 1.00 20.00 C ATOM 91 C LEU A 8 8.908 1.253 1.878 1.00 20.00 C ATOM 92 O LEU A 8 9.390 1.585 2.973 1.00 20.00 O ATOM 93 CB LEU A 8 6.743 0.988 3.118 1.00 20.00 C ATOM 94 CG LEU A 8 6.889 -0.065 4.222 1.00 20.00 C ATOM 95 CD1 LEU A 8 7.463 0.567 5.481 1.00 20.00 C ATOM 96 CD2 LEU A 8 5.546 -0.716 4.515 1.00 20.00 C ATOM 97 H LEU A 8 6.735 -1.107 1.001 1.00 20.00 H ATOM 98 HA LEU A 8 6.970 1.193 1.003 1.00 20.00 H ATOM 99 1HB LEU A 8 7.101 1.930 3.506 1.00 20.00 H ATOM 100 2HB LEU A 8 5.691 1.090 2.893 1.00 20.00 H ATOM 101 HG LEU A 8 7.571 -0.833 3.897 1.00 20.00 H ATOM 102 1HD1 LEU A 8 8.419 1.015 5.255 1.00 20.00 H ATOM 103 2HD1 LEU A 8 6.786 1.326 5.843 1.00 20.00 H ATOM 104 3HD1 LEU A 8 7.591 -0.193 6.239 1.00 20.00 H ATOM 105 1HD2 LEU A 8 4.793 -0.297 3.864 1.00 20.00 H ATOM 106 2HD2 LEU A 8 5.617 -1.781 4.347 1.00 20.00 H ATOM 107 3HD2 LEU A 8 5.273 -0.533 5.544 1.00 20.00 H HETATM 108 N AIB A 9 9.545 1.354 0.687 1.00 20.00 N HETATM 109 CA AIB A 9 10.911 1.885 0.567 1.00 20.00 C HETATM 110 C AIB A 9 11.966 0.800 0.867 1.00 20.00 C HETATM 111 O1 AIB A 9 13.130 0.984 0.475 1.00 20.00 O HETATM 112 CB1 AIB A 9 11.155 2.368 -0.861 1.00 20.00 C HETATM 113 CB2 AIB A 9 11.131 3.019 1.569 1.00 20.00 C HETATM 114 1HN AIB A 9 9.080 1.075 -0.129 1.00 20.00 H HETATM 115 1HB1 AIB A 9 10.207 2.436 -1.385 1.00 20.00 H HETATM 116 2HB1 AIB A 9 11.788 1.677 -1.383 1.00 20.00 H HETATM 117 3HB1 AIB A 9 11.640 3.338 -0.838 1.00 20.00 H HETATM 118 1HB2 AIB A 9 10.210 3.581 1.687 1.00 20.00 H HETATM 119 2HB2 AIB A 9 11.897 3.683 1.215 1.00 20.00 H HETATM 120 3HB2 AIB A 9 11.443 2.605 2.522 1.00 20.00 H HETATM 121 N AIB A 10 11.537 -0.301 1.558 1.00 20.00 N HETATM 122 CA AIB A 10 12.441 -1.405 1.911 1.00 20.00 C HETATM 123 C AIB A 10 13.606 -1.517 0.906 1.00 20.00 C HETATM 124 O1 AIB A 10 14.734 -1.790 1.315 1.00 20.00 O HETATM 125 CB1 AIB A 10 13.058 -1.156 3.287 1.00 20.00 C HETATM 126 CB2 AIB A 10 11.692 -2.737 1.887 1.00 20.00 C HETATM 127 1HN AIB A 10 10.597 -0.389 1.846 1.00 20.00 H HETATM 128 1HB1 AIB A 10 13.661 -2.011 3.572 1.00 20.00 H HETATM 129 2HB1 AIB A 10 12.287 -1.017 4.020 1.00 20.00 H HETATM 130 3HB1 AIB A 10 13.669 -0.259 3.250 1.00 20.00 H HETATM 131 1HB2 AIB A 10 12.395 -3.548 2.043 1.00 20.00 H HETATM 132 2HB2 AIB A 10 11.212 -2.874 0.937 1.00 20.00 H HETATM 133 3HB2 AIB A 10 10.934 -2.739 2.664 1.00 20.00 H HETATM 134 N HYP A 11 13.360 -1.301 -0.423 1.00 20.00 N HETATM 135 CA HYP A 11 14.474 -1.398 -1.385 1.00 20.00 C HETATM 136 C HYP A 11 15.325 -0.130 -1.439 1.00 20.00 C HETATM 137 O HYP A 11 15.790 0.267 -2.506 1.00 20.00 O HETATM 138 CB HYP A 11 13.795 -1.625 -2.745 1.00 20.00 C HETATM 139 CG HYP A 11 12.364 -2.037 -2.426 1.00 20.00 C HETATM 140 CD HYP A 11 12.078 -1.246 -1.172 1.00 20.00 C HETATM 141 OD HYP A 11 12.289 -3.414 -2.098 1.00 20.00 O HETATM 142 HA HYP A 11 15.112 -2.241 -1.159 1.00 20.00 H HETATM 143 1HB HYP A 11 14.317 -2.403 -3.284 1.00 20.00 H HETATM 144 2HB HYP A 11 13.821 -0.710 -3.317 1.00 20.00 H HETATM 145 1HD HYP A 11 11.821 -0.227 -1.420 1.00 20.00 H HETATM 146 2HD HYP A 11 11.282 -1.711 -0.610 1.00 20.00 H HETATM 147 HOD HYP A 11 12.951 -3.896 -2.602 1.00 20.00 H HETATM 148 HG HYP A 11 11.725 -1.670 -3.218 1.00 20.00 H ATOM 149 N GLN A 12 15.532 0.501 -0.287 1.00 20.00 N ATOM 150 CA GLN A 12 16.331 1.719 -0.216 1.00 20.00 C ATOM 151 C GLN A 12 17.682 1.449 0.442 1.00 20.00 C ATOM 152 O GLN A 12 18.506 2.373 0.558 1.00 20.00 O ATOM 153 CB GLN A 12 15.581 2.797 0.570 1.00 20.00 C ATOM 154 CG GLN A 12 14.523 3.525 -0.243 1.00 20.00 C ATOM 155 CD GLN A 12 14.948 3.764 -1.678 1.00 20.00 C ATOM 156 OE1 GLN A 12 14.381 3.190 -2.609 1.00 20.00 O ATOM 157 NE2 GLN A 12 15.949 4.615 -1.867 1.00 20.00 N ATOM 158 H GLN A 12 15.143 0.141 0.532 1.00 20.00 H ATOM 159 HA GLN A 12 16.496 2.068 -1.222 1.00 20.00 H ATOM 160 1HB GLN A 12 15.097 2.335 1.418 1.00 20.00 H ATOM 161 2HB GLN A 12 16.294 3.526 0.928 1.00 20.00 H ATOM 162 1HG GLN A 12 13.621 2.933 -0.246 1.00 20.00 H ATOM 163 2HG GLN A 12 14.324 4.479 0.222 1.00 20.00 H ATOM 164 1HE2 GLN A 12 16.353 5.036 -1.080 1.00 20.00 H ATOM 165 2HE2 GLN A 12 16.243 4.789 -2.786 1.00 20.00 H HETATM 166 N DIV A 13 17.878 0.180 0.871 1.00 20.00 N HETATM 167 CA DIV A 13 19.127 -0.243 1.537 1.00 20.00 C HETATM 168 CB1 DIV A 13 19.059 -0.079 3.034 1.00 20.00 C HETATM 169 CG1 DIV A 13 17.750 -0.570 3.633 1.00 20.00 C HETATM 170 CB2 DIV A 13 19.323 -1.754 1.607 1.00 20.00 C HETATM 171 C DIV A 13 20.350 0.446 0.884 1.00 20.00 C HETATM 172 O DIV A 13 21.218 0.901 1.624 1.00 20.00 O HETATM 173 1HN DIV A 13 17.171 -0.485 0.745 1.00 20.00 H HETATM 174 1HB1 DIV A 13 19.152 0.969 3.281 1.00 20.00 H HETATM 175 2HB1 DIV A 13 19.865 -0.620 3.509 1.00 20.00 H HETATM 176 1HG1 DIV A 13 17.762 -0.401 4.699 1.00 20.00 H HETATM 177 2HG1 DIV A 13 17.633 -1.626 3.442 1.00 20.00 H HETATM 178 3HG1 DIV A 13 16.921 -0.029 3.196 1.00 20.00 H HETATM 179 1HB2 DIV A 13 18.403 -2.230 1.910 1.00 20.00 H HETATM 180 2HB2 DIV A 13 20.101 -1.998 2.317 1.00 20.00 H HETATM 181 3HB2 DIV A 13 19.608 -2.127 0.635 1.00 20.00 H HETATM 182 N HYP A 14 20.418 0.538 -0.493 1.00 20.00 N HETATM 183 CA HYP A 14 21.542 1.200 -1.165 1.00 20.00 C HETATM 184 C HYP A 14 22.548 1.883 -0.225 1.00 20.00 C HETATM 185 O HYP A 14 23.729 1.513 -0.244 1.00 20.00 O HETATM 186 CB HYP A 14 22.188 0.007 -1.870 1.00 20.00 C HETATM 187 CG HYP A 14 21.001 -0.787 -2.421 1.00 20.00 C HETATM 188 CD HYP A 14 19.849 -0.417 -1.489 1.00 20.00 C HETATM 189 OD HYP A 14 21.224 -2.182 -2.297 1.00 20.00 O HETATM 190 HA HYP A 14 21.193 1.913 -1.917 1.00 20.00 H HETATM 191 1HB HYP A 14 22.766 -0.583 -1.161 1.00 20.00 H HETATM 192 2HB HYP A 14 22.831 0.358 -2.664 1.00 20.00 H HETATM 193 1HD HYP A 14 19.058 0.055 -2.052 1.00 20.00 H HETATM 194 2HD HYP A 14 19.477 -1.303 -1.002 1.00 20.00 H HETATM 195 HOD HYP A 14 21.025 -2.622 -3.128 1.00 20.00 H HETATM 196 HG HYP A 14 20.776 -0.402 -3.405 1.00 20.00 H HETATM 197 N AIB A 15 22.046 2.870 0.580 1.00 20.00 N HETATM 198 CA AIB A 15 22.880 3.620 1.536 1.00 20.00 C HETATM 199 C AIB A 15 24.364 3.202 1.458 1.00 20.00 C HETATM 200 O1 AIB A 15 25.159 3.916 0.845 1.00 20.00 O HETATM 201 CB1 AIB A 15 22.813 5.114 1.218 1.00 20.00 C HETATM 202 CB2 AIB A 15 22.417 3.350 2.967 1.00 20.00 C HETATM 203 1HN AIB A 15 21.093 3.103 0.545 1.00 20.00 H HETATM 204 1HB1 AIB A 15 22.799 5.681 2.143 1.00 20.00 H HETATM 205 2HB1 AIB A 15 21.919 5.336 0.665 1.00 20.00 H HETATM 206 3HB1 AIB A 15 23.671 5.395 0.617 1.00 20.00 H HETATM 207 1HB2 AIB A 15 21.843 2.429 2.992 1.00 20.00 H HETATM 208 2HB2 AIB A 15 21.796 4.154 3.314 1.00 20.00 H HETATM 209 3HB2 AIB A 15 23.282 3.272 3.618 1.00 20.00 H ATOM 210 N PRO A 16 24.769 2.058 2.100 1.00 20.00 N ATOM 211 CA PRO A 16 26.189 1.660 2.062 1.00 20.00 C ATOM 212 C PRO A 16 26.893 2.038 0.762 1.00 20.00 C ATOM 213 O PRO A 16 28.088 2.331 0.760 1.00 20.00 O ATOM 214 CB PRO A 16 26.132 0.145 2.213 1.00 20.00 C ATOM 215 CG PRO A 16 24.981 -0.079 3.119 1.00 20.00 C ATOM 216 CD PRO A 16 23.972 0.987 2.782 1.00 20.00 C ATOM 217 HA PRO A 16 26.732 2.083 2.893 1.00 20.00 H ATOM 218 1HB PRO A 16 25.979 -0.314 1.247 1.00 20.00 H ATOM 219 2HB PRO A 16 27.054 -0.213 2.651 1.00 20.00 H ATOM 220 1HG PRO A 16 24.562 -1.060 2.944 1.00 20.00 H ATOM 221 2HG PRO A 16 25.298 0.017 4.146 1.00 20.00 H ATOM 222 1HD PRO A 16 23.219 0.591 2.117 1.00 20.00 H ATOM 223 2HD PRO A 16 23.516 1.364 3.685 1.00 20.00 H HETATM 224 C PDH A 17 26.147 1.325 -2.710 1.00 20.00 C HETATM 225 O PDH A 17 25.375 1.967 -3.708 1.00 20.00 O HETATM 226 CA PDH A 17 26.746 2.372 -1.691 1.00 20.00 C HETATM 227 N PDH A 17 26.155 2.022 -0.341 1.00 20.00 N HETATM 228 CB PDH A 17 26.976 3.811 -2.063 1.00 20.00 C HETATM 229 CG PDH A 17 28.255 4.065 -2.823 1.00 20.00 C HETATM 230 CD1 PDH A 17 28.375 3.692 -4.158 1.00 20.00 C HETATM 231 CD2 PDH A 17 29.337 4.673 -2.197 1.00 20.00 C HETATM 232 CE1 PDH A 17 29.552 3.922 -4.854 1.00 20.00 C HETATM 233 CE2 PDH A 17 30.516 4.906 -2.889 1.00 20.00 C HETATM 234 CZ PDH A 17 30.623 4.530 -4.218 1.00 20.00 C HETATM 235 H1 PDH A 17 25.515 0.628 -2.177 1.00 20.00 H HETATM 236 H2 PDH A 17 26.954 0.787 -3.186 1.00 20.00 H HETATM 237 HO PDH A 17 25.825 2.765 -3.996 1.00 20.00 H HETATM 238 HA PDH A 17 27.704 2.283 -1.648 1.00 20.00 H HETATM 239 1HB PDH A 17 27.003 4.405 -1.160 1.00 20.00 H HETATM 240 2HB PDH A 17 26.156 4.146 -2.681 1.00 20.00 H HETATM 241 HD1 PDH A 17 27.541 3.218 -4.653 1.00 20.00 H HETATM 242 HD2 PDH A 17 29.254 4.967 -1.161 1.00 20.00 H HETATM 243 HE1 PDH A 17 29.634 3.627 -5.890 1.00 20.00 H HETATM 244 HE2 PDH A 17 31.350 5.380 -2.391 1.00 20.00 H HETATM 245 HZ PDH A 17 31.542 4.710 -4.758 1.00 20.00 H HETATM 246 HN PDH A 17 25.208 1.778 -0.283 1.00 20.00 H TER 247 PDH A 17 ENDMDL MODEL 14 HETATM 1 C ACE A 1 2.616 4.945 1.645 1.00 20.00 C HETATM 2 O ACE A 1 1.718 5.100 2.473 1.00 20.00 O HETATM 3 CH3 ACE A 1 3.453 4.434 2.840 1.00 20.00 C HETATM 4 1H ACE A 1 3.015 3.531 3.237 1.00 20.00 H HETATM 5 2H ACE A 1 3.477 5.186 3.617 1.00 20.00 H HETATM 6 3H ACE A 1 4.463 4.228 2.520 1.00 20.00 H ATOM 7 N PHE A 2 2.585 3.940 0.746 1.00 20.00 N ATOM 8 CA PHE A 2 1.451 3.028 0.960 1.00 20.00 C ATOM 9 C PHE A 2 1.875 1.759 1.703 1.00 20.00 C ATOM 10 O PHE A 2 3.005 1.278 1.512 1.00 20.00 O ATOM 11 CB PHE A 2 0.805 2.653 -0.379 1.00 20.00 C ATOM 12 CG PHE A 2 -0.319 3.565 -0.782 1.00 20.00 C ATOM 13 CD1 PHE A 2 -1.300 3.131 -1.660 1.00 20.00 C ATOM 14 CD2 PHE A 2 -0.394 4.855 -0.284 1.00 20.00 C ATOM 15 CE1 PHE A 2 -2.335 3.967 -2.033 1.00 20.00 C ATOM 16 CE2 PHE A 2 -1.428 5.696 -0.654 1.00 20.00 C ATOM 17 CZ PHE A 2 -2.399 5.251 -1.530 1.00 20.00 C ATOM 18 H PHE A 2 3.309 3.298 0.917 1.00 20.00 H ATOM 19 HA PHE A 2 0.721 3.548 1.561 1.00 20.00 H ATOM 20 1HB PHE A 2 1.553 2.685 -1.158 1.00 20.00 H ATOM 21 2HB PHE A 2 0.410 1.650 -0.309 1.00 20.00 H ATOM 22 HD1 PHE A 2 -1.252 2.126 -2.053 1.00 20.00 H ATOM 23 HD2 PHE A 2 0.365 5.204 0.400 1.00 20.00 H ATOM 24 HE1 PHE A 2 -3.093 3.617 -2.719 1.00 20.00 H ATOM 25 HE2 PHE A 2 -1.475 6.700 -0.259 1.00 20.00 H ATOM 26 HZ PHE A 2 -3.207 5.906 -1.820 1.00 20.00 H HETATM 27 N AIB A 3 0.943 1.242 2.536 1.00 20.00 N HETATM 28 CA AIB A 3 1.184 0.025 3.323 1.00 20.00 C HETATM 29 C AIB A 3 1.329 -1.208 2.410 1.00 20.00 C HETATM 30 O1 AIB A 3 0.492 -2.122 2.507 1.00 20.00 O HETATM 31 CB1 AIB A 3 0.004 -0.250 4.252 1.00 20.00 C HETATM 32 CB2 AIB A 3 2.482 0.154 4.119 1.00 20.00 C HETATM 33 1HN AIB A 3 0.077 1.691 2.620 1.00 20.00 H HETATM 34 1HB1 AIB A 3 0.280 -1.018 4.966 1.00 20.00 H HETATM 35 2HB1 AIB A 3 -0.840 -0.592 3.684 1.00 20.00 H HETATM 36 3HB1 AIB A 3 -0.268 0.664 4.767 1.00 20.00 H HETATM 37 1HB2 AIB A 3 3.005 -0.797 4.114 1.00 20.00 H HETATM 38 2HB2 AIB A 3 2.267 0.425 5.135 1.00 20.00 H HETATM 39 3HB2 AIB A 3 3.101 0.926 3.675 1.00 20.00 H HETATM 40 N AIB A 4 2.388 -1.206 1.544 1.00 20.00 N HETATM 41 CA AIB A 4 2.644 -2.318 0.617 1.00 20.00 C HETATM 42 C AIB A 4 3.558 -1.880 -0.544 1.00 20.00 C HETATM 43 O1 AIB A 4 4.239 -2.745 -1.116 1.00 20.00 O HETATM 44 CB1 AIB A 4 3.358 -3.459 1.342 1.00 20.00 C HETATM 45 CB2 AIB A 4 1.334 -2.805 -0.002 1.00 20.00 C HETATM 46 1HN AIB A 4 3.016 -0.448 1.517 1.00 20.00 H HETATM 47 1HB1 AIB A 4 3.022 -4.408 0.939 1.00 20.00 H HETATM 48 2HB1 AIB A 4 3.132 -3.430 2.391 1.00 20.00 H HETATM 49 3HB1 AIB A 4 4.429 -3.353 1.213 1.00 20.00 H HETATM 50 1HB2 AIB A 4 0.519 -2.174 0.337 1.00 20.00 H HETATM 51 2HB2 AIB A 4 1.136 -3.816 0.300 1.00 20.00 H HETATM 52 3HB2 AIB A 4 1.413 -2.772 -1.083 1.00 20.00 H HETATM 53 N AIB A 5 3.547 -0.545 -0.864 1.00 20.00 N HETATM 54 CA AIB A 5 4.369 0.007 -1.952 1.00 20.00 C HETATM 55 C AIB A 5 5.687 -0.778 -2.110 1.00 20.00 C HETATM 56 O1 AIB A 5 6.705 -0.350 -1.545 1.00 20.00 O HETATM 57 CB1 AIB A 5 3.623 -0.086 -3.282 1.00 20.00 C HETATM 58 CB2 AIB A 5 4.740 1.456 -1.639 1.00 20.00 C HETATM 59 1HN AIB A 5 2.980 0.095 -0.371 1.00 20.00 H HETATM 60 1HB1 AIB A 5 2.865 -0.859 -3.217 1.00 20.00 H HETATM 61 2HB1 AIB A 5 4.305 -0.338 -4.073 1.00 20.00 H HETATM 62 3HB1 AIB A 5 3.168 0.872 -3.508 1.00 20.00 H HETATM 63 1HB2 AIB A 5 5.071 1.948 -2.548 1.00 20.00 H HETATM 64 2HB2 AIB A 5 5.537 1.488 -0.920 1.00 20.00 H HETATM 65 3HB2 AIB A 5 3.878 1.968 -1.226 1.00 20.00 H HETATM 66 N DIV A 6 5.638 -1.912 -2.878 1.00 20.00 N HETATM 67 CA DIV A 6 6.826 -2.758 -3.110 1.00 20.00 C HETATM 68 CB1 DIV A 6 6.488 -4.137 -3.629 1.00 20.00 C HETATM 69 CG1 DIV A 6 7.650 -5.113 -3.537 1.00 20.00 C HETATM 70 CB2 DIV A 6 7.632 -2.376 -4.345 1.00 20.00 C HETATM 71 C DIV A 6 7.743 -2.754 -1.863 1.00 20.00 C HETATM 72 O DIV A 6 8.931 -2.449 -1.964 1.00 20.00 O HETATM 73 1HN DIV A 6 4.797 -2.203 -3.306 1.00 20.00 H HETATM 74 1HB1 DIV A 6 6.179 -4.085 -4.665 1.00 20.00 H HETATM 75 2HB1 DIV A 6 5.676 -4.548 -3.046 1.00 20.00 H HETATM 76 1HG1 DIV A 6 7.333 -6.079 -3.903 1.00 20.00 H HETATM 77 2HG1 DIV A 6 7.968 -5.209 -2.507 1.00 20.00 H HETATM 78 3HG1 DIV A 6 8.474 -4.759 -4.137 1.00 20.00 H HETATM 79 1HB2 DIV A 6 7.055 -2.565 -5.238 1.00 20.00 H HETATM 80 2HB2 DIV A 6 8.544 -2.953 -4.382 1.00 20.00 H HETATM 81 3HB2 DIV A 6 7.883 -1.327 -4.303 1.00 20.00 H ATOM 82 N GLY A 7 7.174 -3.100 -0.687 1.00 20.00 N ATOM 83 CA GLY A 7 7.976 -3.122 0.522 1.00 20.00 C ATOM 84 C GLY A 7 8.282 -1.731 1.053 1.00 20.00 C ATOM 85 O GLY A 7 9.323 -1.518 1.667 1.00 20.00 O ATOM 86 H GLY A 7 6.220 -3.343 -0.637 1.00 20.00 H ATOM 87 1HA GLY A 7 8.909 -3.623 0.309 1.00 20.00 H ATOM 88 2HA GLY A 7 7.450 -3.682 1.284 1.00 20.00 H ATOM 89 N LEU A 8 7.377 -0.781 0.818 1.00 20.00 N ATOM 90 CA LEU A 8 7.569 0.594 1.278 1.00 20.00 C ATOM 91 C LEU A 8 9.030 1.017 1.160 1.00 20.00 C ATOM 92 O LEU A 8 9.575 1.635 2.090 1.00 20.00 O ATOM 93 CB LEU A 8 7.086 0.758 2.724 1.00 20.00 C ATOM 94 CG LEU A 8 7.686 -0.218 3.742 1.00 20.00 C ATOM 95 CD1 LEU A 8 8.966 0.349 4.337 1.00 20.00 C ATOM 96 CD2 LEU A 8 6.678 -0.524 4.838 1.00 20.00 C ATOM 97 H LEU A 8 6.563 -1.005 0.319 1.00 20.00 H ATOM 98 HA LEU A 8 6.976 1.234 0.641 1.00 20.00 H ATOM 99 1HB LEU A 8 7.320 1.763 3.045 1.00 20.00 H ATOM 100 2HB LEU A 8 6.013 0.638 2.737 1.00 20.00 H ATOM 101 HG LEU A 8 7.932 -1.143 3.246 1.00 20.00 H ATOM 102 1HD1 LEU A 8 8.829 1.398 4.555 1.00 20.00 H ATOM 103 2HD1 LEU A 8 9.202 -0.179 5.250 1.00 20.00 H ATOM 104 3HD1 LEU A 8 9.776 0.230 3.633 1.00 20.00 H ATOM 105 1HD2 LEU A 8 5.800 0.090 4.703 1.00 20.00 H ATOM 106 2HD2 LEU A 8 6.398 -1.567 4.788 1.00 20.00 H ATOM 107 3HD2 LEU A 8 7.119 -0.317 5.801 1.00 20.00 H HETATM 108 N AIB A 9 9.631 0.677 -0.003 1.00 20.00 N HETATM 109 CA AIB A 9 11.031 1.014 -0.293 1.00 20.00 C HETATM 110 C AIB A 9 11.954 0.641 0.887 1.00 20.00 C HETATM 111 O1 AIB A 9 13.007 1.280 1.043 1.00 20.00 O HETATM 112 CB1 AIB A 9 11.512 0.227 -1.510 1.00 20.00 C HETATM 113 CB2 AIB A 9 11.177 2.518 -0.525 1.00 20.00 C HETATM 114 1HN AIB A 9 9.115 0.196 -0.683 1.00 20.00 H HETATM 115 1HB1 AIB A 9 12.311 -0.444 -1.213 1.00 20.00 H HETATM 116 2HB1 AIB A 9 11.885 0.898 -2.260 1.00 20.00 H HETATM 117 3HB1 AIB A 9 10.683 -0.335 -1.926 1.00 20.00 H HETATM 118 1HB2 AIB A 9 10.685 3.056 0.277 1.00 20.00 H HETATM 119 2HB2 AIB A 9 10.719 2.793 -1.457 1.00 20.00 H HETATM 120 3HB2 AIB A 9 12.230 2.775 -0.563 1.00 20.00 H HETATM 121 N AIB A 10 11.539 -0.388 1.688 1.00 20.00 N HETATM 122 CA AIB A 10 12.326 -0.844 2.843 1.00 20.00 C HETATM 123 C AIB A 10 13.743 -1.279 2.415 1.00 20.00 C HETATM 124 O1 AIB A 10 14.719 -0.863 3.039 1.00 20.00 O HETATM 125 CB1 AIB A 10 12.488 0.296 3.848 1.00 20.00 C HETATM 126 CB2 AIB A 10 11.665 -2.055 3.499 1.00 20.00 C HETATM 127 1HN AIB A 10 10.691 -0.862 1.514 1.00 20.00 H HETATM 128 1HB1 AIB A 10 13.117 -0.034 4.667 1.00 20.00 H HETATM 129 2HB1 AIB A 10 11.531 0.582 4.241 1.00 20.00 H HETATM 130 3HB1 AIB A 10 12.932 1.152 3.352 1.00 20.00 H HETATM 131 1HB2 AIB A 10 12.305 -2.923 3.382 1.00 20.00 H HETATM 132 2HB2 AIB A 10 10.719 -2.259 3.035 1.00 20.00 H HETATM 133 3HB2 AIB A 10 11.498 -1.849 4.550 1.00 20.00 H HETATM 134 N HYP A 11 13.883 -2.122 1.347 1.00 20.00 N HETATM 135 CA HYP A 11 15.229 -2.537 0.938 1.00 20.00 C HETATM 136 C HYP A 11 15.898 -1.530 0.006 1.00 20.00 C HETATM 137 O HYP A 11 16.705 -1.906 -0.844 1.00 20.00 O HETATM 138 CB HYP A 11 15.021 -3.877 0.203 1.00 20.00 C HETATM 139 CG HYP A 11 13.532 -4.206 0.310 1.00 20.00 C HETATM 140 CD HYP A 11 12.895 -2.852 0.521 1.00 20.00 C HETATM 141 OD HYP A 11 13.267 -4.993 1.459 1.00 20.00 O HETATM 142 HA HYP A 11 15.864 -2.697 1.796 1.00 20.00 H HETATM 143 1HB HYP A 11 15.622 -4.639 0.675 1.00 20.00 H HETATM 144 2HB HYP A 11 15.323 -3.769 -0.829 1.00 20.00 H HETATM 145 1HD HYP A 11 12.744 -2.355 -0.426 1.00 20.00 H HETATM 146 2HD HYP A 11 11.958 -2.958 1.046 1.00 20.00 H HETATM 147 HOD HYP A 11 13.851 -4.723 2.172 1.00 20.00 H HETATM 148 HG HYP A 11 13.208 -4.589 -0.647 1.00 20.00 H ATOM 149 N GLN A 12 15.567 -0.251 0.164 1.00 20.00 N ATOM 150 CA GLN A 12 16.155 0.788 -0.676 1.00 20.00 C ATOM 151 C GLN A 12 17.236 1.555 0.078 1.00 20.00 C ATOM 152 O GLN A 12 18.146 2.118 -0.554 1.00 20.00 O ATOM 153 CB GLN A 12 15.077 1.754 -1.173 1.00 20.00 C ATOM 154 CG GLN A 12 14.328 1.249 -2.395 1.00 20.00 C ATOM 155 CD GLN A 12 15.255 0.862 -3.530 1.00 20.00 C ATOM 156 OE1 GLN A 12 15.788 -0.247 -3.560 1.00 20.00 O ATOM 157 NE2 GLN A 12 15.451 1.776 -4.473 1.00 20.00 N ATOM 158 H GLN A 12 14.918 -0.002 0.857 1.00 20.00 H ATOM 159 HA GLN A 12 16.607 0.303 -1.527 1.00 20.00 H ATOM 160 1HB GLN A 12 14.365 1.921 -0.382 1.00 20.00 H ATOM 161 2HB GLN A 12 15.545 2.694 -1.428 1.00 20.00 H ATOM 162 1HG GLN A 12 13.751 0.382 -2.114 1.00 20.00 H ATOM 163 2HG GLN A 12 13.662 2.027 -2.742 1.00 20.00 H ATOM 164 1HE2 GLN A 12 14.991 2.637 -4.386 1.00 20.00 H ATOM 165 2HE2 GLN A 12 16.048 1.552 -5.217 1.00 20.00 H HETATM 166 N DIV A 13 17.114 1.560 1.426 1.00 20.00 N HETATM 167 CA DIV A 13 18.082 2.254 2.301 1.00 20.00 C HETATM 168 CB1 DIV A 13 17.804 3.711 2.494 1.00 20.00 C HETATM 169 CG1 DIV A 13 17.879 4.509 1.201 1.00 20.00 C HETATM 170 CB2 DIV A 13 17.904 1.971 3.787 1.00 20.00 C HETATM 171 C DIV A 13 19.531 1.976 1.832 1.00 20.00 C HETATM 172 O DIV A 13 20.328 2.912 1.822 1.00 20.00 O HETATM 173 1HN DIV A 13 16.361 1.085 1.837 1.00 20.00 H HETATM 174 1HB1 DIV A 13 18.526 4.131 3.177 1.00 20.00 H HETATM 175 2HB1 DIV A 13 16.813 3.842 2.904 1.00 20.00 H HETATM 176 1HG1 DIV A 13 18.868 4.418 0.769 1.00 20.00 H HETATM 177 2HG1 DIV A 13 17.677 5.549 1.412 1.00 20.00 H HETATM 178 3HG1 DIV A 13 17.143 4.139 0.500 1.00 20.00 H HETATM 179 1HB2 DIV A 13 16.914 2.272 4.100 1.00 20.00 H HETATM 180 2HB2 DIV A 13 18.638 2.525 4.354 1.00 20.00 H HETATM 181 3HB2 DIV A 13 18.029 0.918 3.979 1.00 20.00 H HETATM 182 N HYP A 14 19.872 0.703 1.412 1.00 20.00 N HETATM 183 CA HYP A 14 21.216 0.413 0.917 1.00 20.00 C HETATM 184 C HYP A 14 22.028 1.652 0.536 1.00 20.00 C HETATM 185 O HYP A 14 23.176 1.791 0.986 1.00 20.00 O HETATM 186 CB HYP A 14 21.816 -0.302 2.125 1.00 20.00 C HETATM 187 CG HYP A 14 20.691 -1.228 2.596 1.00 20.00 C HETATM 188 CD HYP A 14 19.422 -0.557 2.077 1.00 20.00 C HETATM 189 OD HYP A 14 20.616 -1.253 4.012 1.00 20.00 O HETATM 190 HA HYP A 14 21.184 -0.271 0.067 1.00 20.00 H HETATM 191 1HB HYP A 14 22.087 0.419 2.896 1.00 20.00 H HETATM 192 2HB HYP A 14 22.688 -0.861 1.822 1.00 20.00 H HETATM 193 1HD HYP A 14 18.929 -1.201 1.365 1.00 20.00 H HETATM 194 2HD HYP A 14 18.763 -0.346 2.903 1.00 20.00 H HETATM 195 HOD HYP A 14 20.399 -2.140 4.307 1.00 20.00 H HETATM 196 HG HYP A 14 20.807 -2.172 2.085 1.00 20.00 H HETATM 197 N AIB A 15 21.394 2.528 -0.293 1.00 20.00 N HETATM 198 CA AIB A 15 22.023 3.773 -0.762 1.00 20.00 C HETATM 199 C AIB A 15 23.553 3.739 -0.571 1.00 20.00 C HETATM 200 O1 AIB A 15 24.275 3.485 -1.534 1.00 20.00 O HETATM 201 CB1 AIB A 15 21.757 3.946 -2.259 1.00 20.00 C HETATM 202 CB2 AIB A 15 21.491 4.969 0.026 1.00 20.00 C HETATM 203 1HN AIB A 15 20.482 2.335 -0.594 1.00 20.00 H HETATM 204 1HB1 AIB A 15 20.809 4.454 -2.401 1.00 20.00 H HETATM 205 2HB1 AIB A 15 21.709 2.986 -2.740 1.00 20.00 H HETATM 206 3HB1 AIB A 15 22.563 4.519 -2.705 1.00 20.00 H HETATM 207 1HB2 AIB A 15 20.633 5.387 -0.490 1.00 20.00 H HETATM 208 2HB2 AIB A 15 22.247 5.726 0.108 1.00 20.00 H HETATM 209 3HB2 AIB A 15 21.210 4.647 1.023 1.00 20.00 H ATOM 210 N PRO A 16 24.073 3.990 0.672 1.00 20.00 N ATOM 211 CA PRO A 16 25.531 3.956 0.857 1.00 20.00 C ATOM 212 C PRO A 16 26.201 2.861 0.033 1.00 20.00 C ATOM 213 O PRO A 16 27.369 2.982 -0.341 1.00 20.00 O ATOM 214 CB PRO A 16 25.693 3.664 2.343 1.00 20.00 C ATOM 215 CG PRO A 16 24.537 4.343 2.977 1.00 20.00 C ATOM 216 CD PRO A 16 23.405 4.255 1.988 1.00 20.00 C ATOM 217 HA PRO A 16 25.983 4.910 0.624 1.00 20.00 H ATOM 218 1HB PRO A 16 25.668 2.596 2.509 1.00 20.00 H ATOM 219 2HB PRO A 16 26.631 4.069 2.694 1.00 20.00 H ATOM 220 1HG PRO A 16 24.272 3.837 3.894 1.00 20.00 H ATOM 221 2HG PRO A 16 24.782 5.376 3.175 1.00 20.00 H ATOM 222 1HD PRO A 16 22.742 3.443 2.249 1.00 20.00 H ATOM 223 2HD PRO A 16 22.862 5.188 1.963 1.00 20.00 H HETATM 224 C PDH A 17 24.922 -0.504 -0.967 1.00 20.00 C HETATM 225 O PDH A 17 25.134 -1.497 -1.955 1.00 20.00 O HETATM 226 CA PDH A 17 26.004 0.643 -1.067 1.00 20.00 C HETATM 227 N PDH A 17 25.458 1.794 -0.253 1.00 20.00 N HETATM 228 CB PDH A 17 26.737 0.955 -2.336 1.00 20.00 C HETATM 229 CG PDH A 17 28.186 0.516 -2.384 1.00 20.00 C HETATM 230 CD1 PDH A 17 28.697 -0.106 -3.518 1.00 20.00 C HETATM 231 CD2 PDH A 17 29.031 0.728 -1.298 1.00 20.00 C HETATM 232 CE1 PDH A 17 30.023 -0.508 -3.569 1.00 20.00 C HETATM 233 CE2 PDH A 17 30.358 0.328 -1.345 1.00 20.00 C HETATM 234 CZ PDH A 17 30.853 -0.291 -2.481 1.00 20.00 C HETATM 235 H1 PDH A 17 23.937 -0.080 -1.106 1.00 20.00 H HETATM 236 H2 PDH A 17 24.980 -0.965 0.007 1.00 20.00 H HETATM 237 HO PDH A 17 24.781 -2.334 -1.648 1.00 20.00 H HETATM 238 HA PDH A 17 26.838 0.343 -0.700 1.00 20.00 H HETATM 239 1HB PDH A 17 26.710 2.024 -2.476 1.00 20.00 H HETATM 240 2HB PDH A 17 26.225 0.481 -3.159 1.00 20.00 H HETATM 241 HD1 PDH A 17 28.050 -0.275 -4.367 1.00 20.00 H HETATM 242 HD2 PDH A 17 28.645 1.210 -0.413 1.00 20.00 H HETATM 243 HE1 PDH A 17 30.408 -0.990 -4.456 1.00 20.00 H HETATM 244 HE2 PDH A 17 31.003 0.497 -0.496 1.00 20.00 H HETATM 245 HZ PDH A 17 31.887 -0.603 -2.519 1.00 20.00 H HETATM 246 HN PDH A 17 24.541 1.755 0.061 1.00 20.00 H TER 247 PDH A 17 ENDMDL MODEL 15 HETATM 1 C ACE A 1 0.631 4.247 1.287 1.00 20.00 C HETATM 2 O ACE A 1 0.666 4.701 2.431 1.00 20.00 O HETATM 3 CH3 ACE A 1 2.151 4.522 1.269 1.00 20.00 C HETATM 4 1H ACE A 1 2.556 4.282 0.298 1.00 20.00 H HETATM 5 2H ACE A 1 2.642 3.921 2.019 1.00 20.00 H HETATM 6 3H ACE A 1 2.335 5.568 1.479 1.00 20.00 H ATOM 7 N PHE A 2 0.483 2.928 1.056 1.00 20.00 N ATOM 8 CA PHE A 2 0.497 2.147 2.298 1.00 20.00 C ATOM 9 C PHE A 2 1.910 1.677 2.647 1.00 20.00 C ATOM 10 O PHE A 2 2.715 1.417 1.737 1.00 20.00 O ATOM 11 CB PHE A 2 -0.440 0.939 2.185 1.00 20.00 C ATOM 12 CG PHE A 2 -1.550 0.942 3.198 1.00 20.00 C ATOM 13 CD1 PHE A 2 -2.396 2.033 3.313 1.00 20.00 C ATOM 14 CD2 PHE A 2 -1.745 -0.145 4.034 1.00 20.00 C ATOM 15 CE1 PHE A 2 -3.418 2.038 4.244 1.00 20.00 C ATOM 16 CE2 PHE A 2 -2.764 -0.145 4.967 1.00 20.00 C ATOM 17 CZ PHE A 2 -3.601 0.948 5.072 1.00 20.00 C ATOM 18 H PHE A 2 1.294 2.550 0.650 1.00 20.00 H ATOM 19 HA PHE A 2 0.143 2.787 3.092 1.00 20.00 H ATOM 20 1HB PHE A 2 -0.893 0.925 1.203 1.00 20.00 H ATOM 21 2HB PHE A 2 0.133 0.033 2.323 1.00 20.00 H ATOM 22 HD1 PHE A 2 -2.253 2.885 2.665 1.00 20.00 H ATOM 23 HD2 PHE A 2 -1.090 -1.001 3.952 1.00 20.00 H ATOM 24 HE1 PHE A 2 -4.070 2.895 4.324 1.00 20.00 H ATOM 25 HE2 PHE A 2 -2.906 -0.999 5.614 1.00 20.00 H ATOM 26 HZ PHE A 2 -4.398 0.951 5.801 1.00 20.00 H HETATM 27 N AIB A 3 2.175 1.577 3.971 1.00 20.00 N HETATM 28 CA AIB A 3 3.482 1.136 4.477 1.00 20.00 C HETATM 29 C AIB A 3 3.785 -0.313 4.045 1.00 20.00 C HETATM 30 O1 AIB A 3 3.869 -1.190 4.921 1.00 20.00 O HETATM 31 CB1 AIB A 3 3.495 1.157 6.004 1.00 20.00 C HETATM 32 CB2 AIB A 3 4.598 2.014 3.912 1.00 20.00 C HETATM 33 1HN AIB A 3 1.474 1.804 4.616 1.00 20.00 H HETATM 34 1HB1 AIB A 3 2.860 0.363 6.380 1.00 20.00 H HETATM 35 2HB1 AIB A 3 3.123 2.097 6.362 1.00 20.00 H HETATM 36 3HB1 AIB A 3 4.513 1.026 6.356 1.00 20.00 H HETATM 37 1HB2 AIB A 3 4.598 1.947 2.830 1.00 20.00 H HETATM 38 2HB2 AIB A 3 5.552 1.683 4.278 1.00 20.00 H HETATM 39 3HB2 AIB A 3 4.442 3.042 4.226 1.00 20.00 H HETATM 40 N AIB A 4 3.939 -0.529 2.704 1.00 20.00 N HETATM 41 CA AIB A 4 4.224 -1.860 2.152 1.00 20.00 C HETATM 42 C AIB A 4 4.776 -1.763 0.716 1.00 20.00 C HETATM 43 O1 AIB A 4 5.624 -2.595 0.353 1.00 20.00 O HETATM 44 CB1 AIB A 4 5.281 -2.569 2.999 1.00 20.00 C HETATM 45 CB2 AIB A 4 2.941 -2.687 2.081 1.00 20.00 C HETATM 46 1HN AIB A 4 3.858 0.211 2.061 1.00 20.00 H HETATM 47 1HB1 AIB A 4 4.847 -2.850 3.953 1.00 20.00 H HETATM 48 2HB1 AIB A 4 6.113 -1.915 3.177 1.00 20.00 H HETATM 49 3HB1 AIB A 4 5.635 -3.449 2.472 1.00 20.00 H HETATM 50 1HB2 AIB A 4 2.084 -2.022 2.051 1.00 20.00 H HETATM 51 2HB2 AIB A 4 2.858 -3.316 2.948 1.00 20.00 H HETATM 52 3HB2 AIB A 4 2.963 -3.314 1.196 1.00 20.00 H HETATM 53 N AIB A 5 4.277 -0.751 -0.067 1.00 20.00 N HETATM 54 CA AIB A 5 4.712 -0.543 -1.457 1.00 20.00 C HETATM 55 C AIB A 5 6.071 -1.220 -1.726 1.00 20.00 C HETATM 56 O1 AIB A 5 7.109 -0.570 -1.528 1.00 20.00 O HETATM 57 CB1 AIB A 5 3.700 -1.161 -2.420 1.00 20.00 C HETATM 58 CB2 AIB A 5 4.887 0.949 -1.736 1.00 20.00 C HETATM 59 1HN AIB A 5 3.599 -0.123 0.276 1.00 20.00 H HETATM 60 1HB1 AIB A 5 3.145 -1.942 -1.909 1.00 20.00 H HETATM 61 2HB1 AIB A 5 4.205 -1.592 -3.263 1.00 20.00 H HETATM 62 3HB1 AIB A 5 3.024 -0.390 -2.777 1.00 20.00 H HETATM 63 1HB2 AIB A 5 5.100 1.096 -2.790 1.00 20.00 H HETATM 64 2HB2 AIB A 5 5.703 1.341 -1.161 1.00 20.00 H HETATM 65 3HB2 AIB A 5 3.980 1.476 -1.460 1.00 20.00 H HETATM 66 N DIV A 6 6.031 -2.515 -2.175 1.00 20.00 N HETATM 67 CA DIV A 6 7.257 -3.283 -2.474 1.00 20.00 C HETATM 68 CB1 DIV A 6 7.011 -4.755 -2.689 1.00 20.00 C HETATM 69 CG1 DIV A 6 5.848 -5.050 -3.625 1.00 20.00 C HETATM 70 CB2 DIV A 6 7.796 -3.059 -3.883 1.00 20.00 C HETATM 71 C DIV A 6 8.359 -2.971 -1.431 1.00 20.00 C HETATM 72 O DIV A 6 9.356 -2.326 -1.751 1.00 20.00 O HETATM 73 1HN DIV A 6 5.173 -2.981 -2.315 1.00 20.00 H HETATM 74 1HB1 DIV A 6 6.787 -5.220 -1.741 1.00 20.00 H HETATM 75 2HB1 DIV A 6 7.894 -5.220 -3.104 1.00 20.00 H HETATM 76 1HG1 DIV A 6 6.068 -4.668 -4.609 1.00 20.00 H HETATM 77 2HG1 DIV A 6 4.947 -4.586 -3.250 1.00 20.00 H HETATM 78 3HG1 DIV A 6 5.701 -6.118 -3.683 1.00 20.00 H HETATM 79 1HB2 DIV A 6 8.249 -2.080 -3.945 1.00 20.00 H HETATM 80 2HB2 DIV A 6 6.990 -3.117 -4.596 1.00 20.00 H HETATM 81 3HB2 DIV A 6 8.539 -3.806 -4.120 1.00 20.00 H ATOM 82 N GLY A 7 8.163 -3.444 -0.181 1.00 20.00 N ATOM 83 CA GLY A 7 9.156 -3.196 0.849 1.00 20.00 C ATOM 84 C GLY A 7 9.242 -1.732 1.236 1.00 20.00 C ATOM 85 O GLY A 7 10.267 -1.278 1.746 1.00 20.00 O ATOM 86 H GLY A 7 7.354 -3.962 0.046 1.00 20.00 H ATOM 87 1HA GLY A 7 10.119 -3.520 0.488 1.00 20.00 H ATOM 88 2HA GLY A 7 8.900 -3.773 1.725 1.00 20.00 H ATOM 89 N LEU A 8 8.163 -0.997 0.993 1.00 20.00 N ATOM 90 CA LEU A 8 8.107 0.426 1.317 1.00 20.00 C ATOM 91 C LEU A 8 9.476 1.091 1.180 1.00 20.00 C ATOM 92 O LEU A 8 10.084 1.468 2.196 1.00 20.00 O ATOM 93 CB LEU A 8 7.569 0.628 2.737 1.00 20.00 C ATOM 94 CG LEU A 8 8.439 0.046 3.854 1.00 20.00 C ATOM 95 CD1 LEU A 8 9.074 1.162 4.670 1.00 20.00 C ATOM 96 CD2 LEU A 8 7.615 -0.868 4.748 1.00 20.00 C ATOM 97 H LEU A 8 7.380 -1.422 0.586 1.00 20.00 H ATOM 98 HA LEU A 8 7.428 0.894 0.620 1.00 20.00 H ATOM 99 1HB LEU A 8 7.462 1.690 2.910 1.00 20.00 H ATOM 100 2HB LEU A 8 6.593 0.171 2.798 1.00 20.00 H ATOM 101 HG LEU A 8 9.232 -0.539 3.414 1.00 20.00 H ATOM 102 1HD1 LEU A 8 8.654 2.111 4.372 1.00 20.00 H ATOM 103 2HD1 LEU A 8 8.880 0.996 5.719 1.00 20.00 H ATOM 104 3HD1 LEU A 8 10.141 1.171 4.499 1.00 20.00 H ATOM 105 1HD2 LEU A 8 6.605 -0.490 4.818 1.00 20.00 H ATOM 106 2HD2 LEU A 8 7.600 -1.863 4.330 1.00 20.00 H ATOM 107 3HD2 LEU A 8 8.056 -0.898 5.734 1.00 20.00 H HETATM 108 N AIB A 9 9.925 1.230 -0.089 1.00 20.00 N HETATM 109 CA AIB A 9 11.214 1.864 -0.401 1.00 20.00 C HETATM 110 C AIB A 9 12.395 0.925 -0.079 1.00 20.00 C HETATM 111 O1 AIB A 9 13.533 1.416 0.006 1.00 20.00 O HETATM 112 CB1 AIB A 9 11.294 2.187 -1.893 1.00 20.00 C HETATM 113 CB2 AIB A 9 11.404 3.126 0.439 1.00 20.00 C HETATM 114 1HN AIB A 9 9.369 0.911 -0.829 1.00 20.00 H HETATM 115 1HB1 AIB A 9 12.256 1.869 -2.281 1.00 20.00 H HETATM 116 2HB1 AIB A 9 11.193 3.245 -2.049 1.00 20.00 H HETATM 117 3HB1 AIB A 9 10.491 1.680 -2.416 1.00 20.00 H HETATM 118 1HB2 AIB A 9 11.688 2.848 1.448 1.00 20.00 H HETATM 119 2HB2 AIB A 9 10.489 3.686 0.479 1.00 20.00 H HETATM 120 3HB2 AIB A 9 12.172 3.747 -0.011 1.00 20.00 H HETATM 121 N AIB A 10 12.098 -0.401 0.091 1.00 20.00 N HETATM 122 CA AIB A 10 13.132 -1.399 0.399 1.00 20.00 C HETATM 123 C AIB A 10 14.231 -1.419 -0.684 1.00 20.00 C HETATM 124 O1 AIB A 10 15.414 -1.443 -0.344 1.00 20.00 O HETATM 125 CB1 AIB A 10 13.814 -1.050 1.722 1.00 20.00 C HETATM 126 CB2 AIB A 10 12.526 -2.801 0.456 1.00 20.00 C HETATM 127 1HN AIB A 10 11.173 -0.731 0.011 1.00 20.00 H HETATM 128 1HB1 AIB A 10 14.489 -0.214 1.569 1.00 20.00 H HETATM 129 2HB1 AIB A 10 14.380 -1.889 2.079 1.00 20.00 H HETATM 130 3HB1 AIB A 10 13.062 -0.797 2.460 1.00 20.00 H HETATM 131 1HB2 AIB A 10 12.145 -3.070 -0.523 1.00 20.00 H HETATM 132 2HB2 AIB A 10 11.717 -2.827 1.160 1.00 20.00 H HETATM 133 3HB2 AIB A 10 13.286 -3.508 0.772 1.00 20.00 H HETATM 134 N HYP A 11 13.864 -1.406 -2.003 1.00 20.00 N HETATM 135 CA HYP A 11 14.911 -1.422 -3.041 1.00 20.00 C HETATM 136 C HYP A 11 15.555 -0.053 -3.250 1.00 20.00 C HETATM 137 O HYP A 11 16.298 0.150 -4.210 1.00 20.00 O HETATM 138 CB HYP A 11 14.183 -1.854 -4.325 1.00 20.00 C HETATM 139 CG HYP A 11 12.816 -2.364 -3.881 1.00 20.00 C HETATM 140 CD HYP A 11 12.539 -1.521 -2.660 1.00 20.00 C HETATM 141 OD HYP A 11 12.884 -3.719 -3.470 1.00 20.00 O HETATM 142 HA HYP A 11 15.682 -2.141 -2.807 1.00 20.00 H HETATM 143 1HB HYP A 11 14.751 -2.631 -4.816 1.00 20.00 H HETATM 144 2HB HYP A 11 14.087 -1.006 -4.986 1.00 20.00 H HETATM 145 1HD HYP A 11 12.167 -0.550 -2.950 1.00 20.00 H HETATM 146 2HD HYP A 11 11.832 -2.019 -2.016 1.00 20.00 H HETATM 147 HOD HYP A 11 13.530 -3.812 -2.765 1.00 20.00 H HETATM 148 HG HYP A 11 12.100 -2.105 -4.646 1.00 20.00 H ATOM 149 N GLN A 12 15.266 0.884 -2.355 1.00 20.00 N ATOM 150 CA GLN A 12 15.821 2.229 -2.461 1.00 20.00 C ATOM 151 C GLN A 12 16.733 2.547 -1.280 1.00 20.00 C ATOM 152 O GLN A 12 17.896 2.936 -1.485 1.00 20.00 O ATOM 153 CB GLN A 12 14.693 3.259 -2.541 1.00 20.00 C ATOM 154 CG GLN A 12 13.853 3.147 -3.803 1.00 20.00 C ATOM 155 CD GLN A 12 14.609 3.578 -5.045 1.00 20.00 C ATOM 156 OE1 GLN A 12 15.112 4.698 -5.123 1.00 20.00 O ATOM 157 NE2 GLN A 12 14.689 2.687 -6.027 1.00 20.00 N ATOM 158 H GLN A 12 14.665 0.671 -1.612 1.00 20.00 H ATOM 159 HA GLN A 12 16.402 2.276 -3.369 1.00 20.00 H ATOM 160 1HB GLN A 12 14.042 3.129 -1.689 1.00 20.00 H ATOM 161 2HB GLN A 12 15.122 4.250 -2.505 1.00 20.00 H ATOM 162 1HG GLN A 12 13.545 2.120 -3.926 1.00 20.00 H ATOM 163 2HG GLN A 12 12.980 3.774 -3.696 1.00 20.00 H ATOM 164 1HE2 GLN A 12 14.262 1.814 -5.895 1.00 20.00 H ATOM 165 2HE2 GLN A 12 15.173 2.938 -6.841 1.00 20.00 H HETATM 166 N DIV A 13 16.178 2.376 -0.060 1.00 20.00 N HETATM 167 CA DIV A 13 16.922 2.646 1.190 1.00 20.00 C HETATM 168 CB1 DIV A 13 16.758 4.055 1.704 1.00 20.00 C HETATM 169 CG1 DIV A 13 17.135 5.103 0.668 1.00 20.00 C HETATM 170 CB2 DIV A 13 16.298 2.048 2.442 1.00 20.00 C HETATM 171 C DIV A 13 18.397 2.193 1.053 1.00 20.00 C HETATM 172 O DIV A 13 19.272 2.926 1.509 1.00 20.00 O HETATM 173 1HN DIV A 13 15.250 2.066 -0.001 1.00 20.00 H HETATM 174 1HB1 DIV A 13 17.392 4.202 2.565 1.00 20.00 H HETATM 175 2HB1 DIV A 13 15.729 4.232 1.988 1.00 20.00 H HETATM 176 1HG1 DIV A 13 18.176 4.990 0.395 1.00 20.00 H HETATM 177 2HG1 DIV A 13 16.982 6.087 1.087 1.00 20.00 H HETATM 178 3HG1 DIV A 13 16.515 4.991 -0.212 1.00 20.00 H HETATM 179 1HB2 DIV A 13 16.282 0.971 2.365 1.00 20.00 H HETATM 180 2HB2 DIV A 13 15.286 2.411 2.554 1.00 20.00 H HETATM 181 3HB2 DIV A 13 16.875 2.334 3.309 1.00 20.00 H HETATM 182 N HYP A 14 18.678 0.998 0.420 1.00 20.00 N HETATM 183 CA HYP A 14 20.058 0.524 0.241 1.00 20.00 C HETATM 184 C HYP A 14 21.149 1.485 0.745 1.00 20.00 C HETATM 185 O HYP A 14 21.908 1.106 1.652 1.00 20.00 O HETATM 186 CB HYP A 14 20.029 -0.745 1.092 1.00 20.00 C HETATM 187 CG HYP A 14 18.692 -1.395 0.737 1.00 20.00 C HETATM 188 CD HYP A 14 17.806 -0.214 0.355 1.00 20.00 C HETATM 189 OD HYP A 14 18.113 -2.018 1.873 1.00 20.00 O HETATM 190 HA HYP A 14 20.255 0.248 -0.798 1.00 20.00 H HETATM 191 1HB HYP A 14 20.079 -0.491 2.150 1.00 20.00 H HETATM 192 2HB HYP A 14 20.861 -1.380 0.828 1.00 20.00 H HETATM 193 1HD HYP A 14 17.424 -0.349 -0.646 1.00 20.00 H HETATM 194 2HD HYP A 14 16.989 -0.133 1.053 1.00 20.00 H HETATM 195 HOD HYP A 14 18.695 -2.707 2.202 1.00 20.00 H HETATM 196 HG HYP A 14 18.844 -2.004 -0.142 1.00 20.00 H HETATM 197 N AIB A 15 21.200 2.715 0.147 1.00 20.00 N HETATM 198 CA AIB A 15 22.188 3.739 0.523 1.00 20.00 C HETATM 199 C AIB A 15 23.328 3.141 1.374 1.00 20.00 C HETATM 200 O1 AIB A 15 24.404 2.868 0.840 1.00 20.00 O HETATM 201 CB1 AIB A 15 22.818 4.327 -0.741 1.00 20.00 C HETATM 202 CB2 AIB A 15 21.525 4.835 1.358 1.00 20.00 C HETATM 203 1HN AIB A 15 20.562 2.952 -0.560 1.00 20.00 H HETATM 204 1HB1 AIB A 15 22.635 5.396 -0.775 1.00 20.00 H HETATM 205 2HB1 AIB A 15 22.382 3.878 -1.615 1.00 20.00 H HETATM 206 3HB1 AIB A 15 23.885 4.128 -0.745 1.00 20.00 H HETATM 207 1HB2 AIB A 15 21.153 5.613 0.701 1.00 20.00 H HETATM 208 2HB2 AIB A 15 22.237 5.267 2.035 1.00 20.00 H HETATM 209 3HB2 AIB A 15 20.712 4.407 1.935 1.00 20.00 H ATOM 210 N PRO A 16 23.120 2.932 2.714 1.00 20.00 N ATOM 211 CA PRO A 16 24.212 2.370 3.524 1.00 20.00 C ATOM 212 C PRO A 16 25.014 1.306 2.780 1.00 20.00 C ATOM 213 O PRO A 16 26.221 1.174 2.984 1.00 20.00 O ATOM 214 CB PRO A 16 23.493 1.747 4.716 1.00 20.00 C ATOM 215 CG PRO A 16 22.321 2.626 4.935 1.00 20.00 C ATOM 216 CD PRO A 16 21.905 3.119 3.574 1.00 20.00 C ATOM 217 HA PRO A 16 24.882 3.143 3.871 1.00 20.00 H ATOM 218 1HB PRO A 16 23.192 0.737 4.471 1.00 20.00 H ATOM 219 2HB PRO A 16 24.148 1.738 5.576 1.00 20.00 H ATOM 220 1HG PRO A 16 21.520 2.063 5.390 1.00 20.00 H ATOM 221 2HG PRO A 16 22.601 3.458 5.564 1.00 20.00 H ATOM 222 1HD PRO A 16 21.078 2.531 3.202 1.00 20.00 H ATOM 223 2HD PRO A 16 21.628 4.162 3.630 1.00 20.00 H HETATM 224 C PDH A 17 25.256 -1.733 2.152 1.00 20.00 C HETATM 225 O PDH A 17 26.090 -2.735 1.595 1.00 20.00 O HETATM 226 CA PDH A 17 25.024 -0.549 1.133 1.00 20.00 C HETATM 227 N PDH A 17 24.340 0.546 1.924 1.00 20.00 N HETATM 228 CB PDH A 17 24.641 -0.787 -0.295 1.00 20.00 C HETATM 229 CG PDH A 17 24.967 0.356 -1.217 1.00 20.00 C HETATM 230 CD1 PDH A 17 26.276 0.805 -1.350 1.00 20.00 C HETATM 231 CD2 PDH A 17 23.967 0.979 -1.956 1.00 20.00 C HETATM 232 CE1 PDH A 17 26.581 1.856 -2.201 1.00 20.00 C HETATM 233 CE2 PDH A 17 24.266 2.029 -2.809 1.00 20.00 C HETATM 234 CZ PDH A 17 25.575 2.468 -2.932 1.00 20.00 C HETATM 235 H1 PDH A 17 24.305 -2.176 2.408 1.00 20.00 H HETATM 236 H2 PDH A 17 25.725 -1.349 3.047 1.00 20.00 H HETATM 237 HO PDH A 17 26.410 -2.446 0.737 1.00 20.00 H HETATM 238 HA PDH A 17 25.873 -0.232 0.795 1.00 20.00 H HETATM 239 1HB PDH A 17 23.577 -0.962 -0.348 1.00 20.00 H HETATM 240 2HB PDH A 17 25.162 -1.661 -0.657 1.00 20.00 H HETATM 241 HD1 PDH A 17 27.060 0.329 -0.780 1.00 20.00 H HETATM 242 HD2 PDH A 17 22.946 0.637 -1.860 1.00 20.00 H HETATM 243 HE1 PDH A 17 27.602 2.197 -2.296 1.00 20.00 H HETATM 244 HE2 PDH A 17 23.481 2.506 -3.377 1.00 20.00 H HETATM 245 HZ PDH A 17 25.810 3.286 -3.597 1.00 20.00 H HETATM 246 HN PDH A 17 23.377 0.692 1.803 1.00 20.00 H TER 247 PDH A 17 ENDMDL MODEL 16 HETATM 1 C ACE A 1 1.317 5.132 1.271 1.00 20.00 C HETATM 2 O ACE A 1 0.544 5.303 2.214 1.00 20.00 O HETATM 3 CH3 ACE A 1 2.430 5.175 2.340 1.00 20.00 C HETATM 4 1H ACE A 1 3.388 4.972 1.885 1.00 20.00 H HETATM 5 2H ACE A 1 2.234 4.436 3.105 1.00 20.00 H HETATM 6 3H ACE A 1 2.457 6.156 2.797 1.00 20.00 H ATOM 7 N PHE A 2 1.431 3.938 0.652 1.00 20.00 N ATOM 8 CA PHE A 2 0.640 2.885 1.304 1.00 20.00 C ATOM 9 C PHE A 2 1.517 1.932 2.119 1.00 20.00 C ATOM 10 O PHE A 2 2.647 1.624 1.703 1.00 20.00 O ATOM 11 CB PHE A 2 -0.142 2.093 0.252 1.00 20.00 C ATOM 12 CG PHE A 2 -1.570 2.534 0.111 1.00 20.00 C ATOM 13 CD1 PHE A 2 -1.874 3.772 -0.430 1.00 20.00 C ATOM 14 CD2 PHE A 2 -2.608 1.712 0.522 1.00 20.00 C ATOM 15 CE1 PHE A 2 -3.186 4.184 -0.560 1.00 20.00 C ATOM 16 CE2 PHE A 2 -3.923 2.119 0.393 1.00 20.00 C ATOM 17 CZ PHE A 2 -4.212 3.356 -0.148 1.00 20.00 C ATOM 18 H PHE A 2 2.320 3.551 0.803 1.00 20.00 H ATOM 19 HA PHE A 2 -0.062 3.360 1.969 1.00 20.00 H ATOM 20 1HB PHE A 2 0.338 2.212 -0.708 1.00 20.00 H ATOM 21 2HB PHE A 2 -0.140 1.048 0.524 1.00 20.00 H ATOM 22 HD1 PHE A 2 -1.072 4.419 -0.752 1.00 20.00 H ATOM 23 HD2 PHE A 2 -2.384 0.744 0.944 1.00 20.00 H ATOM 24 HE1 PHE A 2 -3.409 5.153 -0.982 1.00 20.00 H ATOM 25 HE2 PHE A 2 -4.723 1.469 0.715 1.00 20.00 H ATOM 26 HZ PHE A 2 -5.239 3.676 -0.248 1.00 20.00 H HETATM 27 N AIB A 3 0.967 1.484 3.270 1.00 20.00 N HETATM 28 CA AIB A 3 1.673 0.561 4.169 1.00 20.00 C HETATM 29 C AIB A 3 1.855 -0.822 3.515 1.00 20.00 C HETATM 30 O1 AIB A 3 1.288 -1.802 4.029 1.00 20.00 O HETATM 31 CB1 AIB A 3 0.857 0.338 5.442 1.00 20.00 C HETATM 32 CB2 AIB A 3 3.065 1.092 4.504 1.00 20.00 C HETATM 33 1HN AIB A 3 0.066 1.781 3.515 1.00 20.00 H HETATM 34 1HB1 AIB A 3 0.004 -0.292 5.213 1.00 20.00 H HETATM 35 2HB1 AIB A 3 0.504 1.277 5.821 1.00 20.00 H HETATM 36 3HB1 AIB A 3 1.483 -0.132 6.191 1.00 20.00 H HETATM 37 1HB2 AIB A 3 3.414 0.636 5.425 1.00 20.00 H HETATM 38 2HB2 AIB A 3 3.034 2.157 4.637 1.00 20.00 H HETATM 39 3HB2 AIB A 3 3.744 0.863 3.690 1.00 20.00 H HETATM 40 N AIB A 4 2.639 -0.871 2.396 1.00 20.00 N HETATM 41 CA AIB A 4 2.894 -2.125 1.673 1.00 20.00 C HETATM 42 C AIB A 4 3.547 -1.857 0.303 1.00 20.00 C HETATM 43 O1 AIB A 4 4.221 -2.761 -0.214 1.00 20.00 O HETATM 44 CB1 AIB A 4 3.857 -3.003 2.471 1.00 20.00 C HETATM 45 CB2 AIB A 4 1.578 -2.858 1.414 1.00 20.00 C HETATM 46 1HN AIB A 4 3.061 -0.055 2.040 1.00 20.00 H HETATM 47 1HB1 AIB A 4 3.686 -4.045 2.222 1.00 20.00 H HETATM 48 2HB1 AIB A 4 3.695 -2.869 3.523 1.00 20.00 H HETATM 49 3HB1 AIB A 4 4.879 -2.724 2.238 1.00 20.00 H HETATM 50 1HB2 AIB A 4 0.750 -2.231 1.728 1.00 20.00 H HETATM 51 2HB2 AIB A 4 1.549 -3.774 1.974 1.00 20.00 H HETATM 52 3HB2 AIB A 4 1.497 -3.091 0.359 1.00 20.00 H HETATM 53 N AIB A 5 3.327 -0.619 -0.252 1.00 20.00 N HETATM 54 CA AIB A 5 3.887 -0.230 -1.553 1.00 20.00 C HETATM 55 C AIB A 5 5.106 -1.098 -1.924 1.00 20.00 C HETATM 56 O1 AIB A 5 6.243 -0.663 -1.682 1.00 20.00 O HETATM 57 CB1 AIB A 5 2.846 -0.422 -2.656 1.00 20.00 C HETATM 58 CB2 AIB A 5 4.363 1.222 -1.505 1.00 20.00 C HETATM 59 1HN AIB A 5 2.777 0.058 0.210 1.00 20.00 H HETATM 60 1HB1 AIB A 5 2.167 -1.219 -2.374 1.00 20.00 H HETATM 61 2HB1 AIB A 5 3.329 -0.690 -3.578 1.00 20.00 H HETATM 62 3HB1 AIB A 5 2.302 0.504 -2.803 1.00 20.00 H HETATM 63 1HB2 AIB A 5 3.551 1.854 -1.161 1.00 20.00 H HETATM 64 2HB2 AIB A 5 4.662 1.546 -2.484 1.00 20.00 H HETATM 65 3HB2 AIB A 5 5.212 1.302 -0.836 1.00 20.00 H HETATM 66 N DIV A 6 4.841 -2.312 -2.505 1.00 20.00 N HETATM 67 CA DIV A 6 5.915 -3.242 -2.909 1.00 20.00 C HETATM 68 CB1 DIV A 6 5.445 -4.637 -3.157 1.00 20.00 C HETATM 69 CG1 DIV A 6 4.861 -5.295 -1.914 1.00 20.00 C HETATM 70 CB2 DIV A 6 6.377 -3.080 -4.350 1.00 20.00 C HETATM 71 C DIV A 6 7.113 -3.144 -1.934 1.00 20.00 C HETATM 72 O DIV A 6 8.228 -2.829 -2.348 1.00 20.00 O HETATM 73 1HN DIV A 6 3.914 -2.604 -2.675 1.00 20.00 H HETATM 74 1HB1 DIV A 6 6.271 -5.246 -3.492 1.00 20.00 H HETATM 75 2HB1 DIV A 6 4.678 -4.633 -3.918 1.00 20.00 H HETATM 76 1HG1 DIV A 6 4.554 -6.302 -2.157 1.00 20.00 H HETATM 77 2HG1 DIV A 6 4.004 -4.733 -1.570 1.00 20.00 H HETATM 78 3HG1 DIV A 6 5.608 -5.331 -1.132 1.00 20.00 H HETATM 79 1HB2 DIV A 6 6.790 -2.091 -4.491 1.00 20.00 H HETATM 80 2HB2 DIV A 6 5.540 -3.215 -5.019 1.00 20.00 H HETATM 81 3HB2 DIV A 6 7.134 -3.816 -4.575 1.00 20.00 H ATOM 82 N GLY A 7 6.865 -3.425 -0.636 1.00 20.00 N ATOM 83 CA GLY A 7 7.939 -3.361 0.338 1.00 20.00 C ATOM 84 C GLY A 7 8.352 -1.939 0.673 1.00 20.00 C ATOM 85 O GLY A 7 9.476 -1.705 1.103 1.00 20.00 O ATOM 86 H GLY A 7 5.960 -3.679 -0.335 1.00 20.00 H ATOM 87 1HA GLY A 7 8.795 -3.889 -0.056 1.00 20.00 H ATOM 88 2HA GLY A 7 7.615 -3.851 1.244 1.00 20.00 H ATOM 89 N LEU A 8 7.440 -0.993 0.484 1.00 20.00 N ATOM 90 CA LEU A 8 7.707 0.418 0.770 1.00 20.00 C ATOM 91 C LEU A 8 9.156 0.810 0.461 1.00 20.00 C ATOM 92 O LEU A 8 9.745 1.627 1.190 1.00 20.00 O ATOM 93 CB LEU A 8 7.365 0.756 2.229 1.00 20.00 C ATOM 94 CG LEU A 8 7.908 -0.207 3.288 1.00 20.00 C ATOM 95 CD1 LEU A 8 8.992 0.467 4.114 1.00 20.00 C ATOM 96 CD2 LEU A 8 6.782 -0.697 4.188 1.00 20.00 C ATOM 97 H LEU A 8 6.557 -1.247 0.141 1.00 20.00 H ATOM 98 HA LEU A 8 7.062 0.999 0.128 1.00 20.00 H ATOM 99 1HB LEU A 8 7.749 1.742 2.444 1.00 20.00 H ATOM 100 2HB LEU A 8 6.288 0.785 2.322 1.00 20.00 H ATOM 101 HG LEU A 8 8.346 -1.064 2.802 1.00 20.00 H ATOM 102 1HD1 LEU A 8 8.839 1.537 4.105 1.00 20.00 H ATOM 103 2HD1 LEU A 8 8.947 0.106 5.130 1.00 20.00 H ATOM 104 3HD1 LEU A 8 9.961 0.239 3.693 1.00 20.00 H ATOM 105 1HD2 LEU A 8 5.902 -0.891 3.592 1.00 20.00 H ATOM 106 2HD2 LEU A 8 7.087 -1.605 4.686 1.00 20.00 H ATOM 107 3HD2 LEU A 8 6.556 0.059 4.926 1.00 20.00 H HETATM 108 N AIB A 9 9.690 0.235 -0.644 1.00 20.00 N HETATM 109 CA AIB A 9 11.058 0.528 -1.103 1.00 20.00 C HETATM 110 C AIB A 9 12.104 0.205 -0.017 1.00 20.00 C HETATM 111 O1 AIB A 9 13.235 0.708 -0.118 1.00 20.00 O HETATM 112 CB1 AIB A 9 11.400 -0.326 -2.325 1.00 20.00 C HETATM 113 CB2 AIB A 9 11.198 2.015 -1.426 1.00 20.00 C HETATM 114 1HN AIB A 9 9.141 -0.382 -1.172 1.00 20.00 H HETATM 115 1HB1 AIB A 9 11.109 0.203 -3.226 1.00 20.00 H HETATM 116 2HB1 AIB A 9 10.870 -1.259 -2.285 1.00 20.00 H HETATM 117 3HB1 AIB A 9 12.466 -0.530 -2.333 1.00 20.00 H HETATM 118 1HB2 AIB A 9 12.005 2.437 -0.836 1.00 20.00 H HETATM 119 2HB2 AIB A 9 10.288 2.534 -1.186 1.00 20.00 H HETATM 120 3HB2 AIB A 9 11.400 2.137 -2.484 1.00 20.00 H HETATM 121 N AIB A 10 11.707 -0.628 0.993 1.00 20.00 N HETATM 122 CA AIB A 10 12.608 -1.019 2.086 1.00 20.00 C HETATM 123 C AIB A 10 13.986 -1.459 1.547 1.00 20.00 C HETATM 124 O1 AIB A 10 15.004 -1.179 2.180 1.00 20.00 O HETATM 125 CB1 AIB A 10 12.845 0.163 3.027 1.00 20.00 C HETATM 126 CB2 AIB A 10 12.022 -2.209 2.846 1.00 20.00 C HETATM 127 1HN AIB A 10 10.794 -0.999 1.020 1.00 20.00 H HETATM 128 1HB1 AIB A 10 11.933 0.373 3.575 1.00 20.00 H HETATM 129 2HB1 AIB A 10 13.119 1.035 2.464 1.00 20.00 H HETATM 130 3HB1 AIB A 10 13.650 -0.079 3.713 1.00 20.00 H HETATM 131 1HB2 AIB A 10 11.678 -2.954 2.137 1.00 20.00 H HETATM 132 2HB2 AIB A 10 11.190 -1.890 3.444 1.00 20.00 H HETATM 133 3HB2 AIB A 10 12.781 -2.629 3.497 1.00 20.00 H HETATM 134 N HYP A 11 14.048 -2.152 0.368 1.00 20.00 N HETATM 135 CA HYP A 11 15.361 -2.573 -0.152 1.00 20.00 C HETATM 136 C HYP A 11 16.108 -1.438 -0.853 1.00 20.00 C HETATM 137 O HYP A 11 17.088 -1.678 -1.558 1.00 20.00 O HETATM 138 CB HYP A 11 15.045 -3.693 -1.160 1.00 20.00 C HETATM 139 CG HYP A 11 13.579 -4.052 -0.940 1.00 20.00 C HETATM 140 CD HYP A 11 12.988 -2.738 -0.488 1.00 20.00 C HETATM 141 OD HYP A 11 13.433 -4.982 0.121 1.00 20.00 O HETATM 142 HA HYP A 11 15.983 -2.969 0.637 1.00 20.00 H HETATM 143 1HB HYP A 11 15.687 -4.540 -0.970 1.00 20.00 H HETATM 144 2HB HYP A 11 15.211 -3.330 -2.164 1.00 20.00 H HETATM 145 1HD HYP A 11 12.787 -2.103 -1.338 1.00 20.00 H HETATM 146 2HD HYP A 11 12.086 -2.909 0.079 1.00 20.00 H HETATM 147 HOD HYP A 11 13.610 -4.543 0.957 1.00 20.00 H HETATM 148 HG HYP A 11 13.152 -4.309 -1.897 1.00 20.00 H ATOM 149 N GLN A 12 15.645 -0.206 -0.660 1.00 20.00 N ATOM 150 CA GLN A 12 16.278 0.952 -1.282 1.00 20.00 C ATOM 151 C GLN A 12 17.427 1.480 -0.429 1.00 20.00 C ATOM 152 O GLN A 12 18.358 2.105 -0.965 1.00 20.00 O ATOM 153 CB GLN A 12 15.249 2.060 -1.516 1.00 20.00 C ATOM 154 CG GLN A 12 14.275 1.757 -2.643 1.00 20.00 C ATOM 155 CD GLN A 12 14.966 1.601 -3.984 1.00 20.00 C ATOM 156 OE1 GLN A 12 16.190 1.684 -4.077 1.00 20.00 O ATOM 157 NE2 GLN A 12 14.182 1.375 -5.032 1.00 20.00 N ATOM 158 H GLN A 12 14.860 -0.072 -0.090 1.00 20.00 H ATOM 159 HA GLN A 12 16.674 0.637 -2.237 1.00 20.00 H ATOM 160 1HB GLN A 12 14.683 2.205 -0.608 1.00 20.00 H ATOM 161 2HB GLN A 12 15.770 2.975 -1.754 1.00 20.00 H ATOM 162 1HG GLN A 12 13.755 0.840 -2.415 1.00 20.00 H ATOM 163 2HG GLN A 12 13.563 2.565 -2.714 1.00 20.00 H ATOM 164 1HE2 GLN A 12 13.215 1.322 -4.883 1.00 20.00 H ATOM 165 2HE2 GLN A 12 14.602 1.270 -5.910 1.00 20.00 H HETATM 166 N DIV A 13 17.335 1.216 0.895 1.00 20.00 N HETATM 167 CA DIV A 13 18.364 1.656 1.861 1.00 20.00 C HETATM 168 CB1 DIV A 13 17.977 2.901 2.621 1.00 20.00 C HETATM 169 CG1 DIV A 13 16.564 2.840 3.177 1.00 20.00 C HETATM 170 CB2 DIV A 13 18.461 0.769 3.100 1.00 20.00 C HETATM 171 C DIV A 13 19.750 1.730 1.174 1.00 20.00 C HETATM 172 O DIV A 13 20.404 2.764 1.290 1.00 20.00 O HETATM 173 1HN DIV A 13 16.563 0.715 1.229 1.00 20.00 H HETATM 174 1HB1 DIV A 13 18.034 3.757 1.965 1.00 20.00 H HETATM 175 2HB1 DIV A 13 18.653 3.049 3.451 1.00 20.00 H HETATM 176 1HG1 DIV A 13 15.856 2.766 2.363 1.00 20.00 H HETATM 177 2HG1 DIV A 13 16.364 3.740 3.742 1.00 20.00 H HETATM 178 3HG1 DIV A 13 16.460 1.981 3.827 1.00 20.00 H HETATM 179 1HB2 DIV A 13 18.202 1.313 3.999 1.00 20.00 H HETATM 180 2HB2 DIV A 13 19.471 0.397 3.195 1.00 20.00 H HETATM 181 3HB2 DIV A 13 17.789 -0.069 2.993 1.00 20.00 H HETATM 182 N HYP A 14 20.198 0.640 0.460 1.00 20.00 N HETATM 183 CA HYP A 14 21.499 0.635 -0.223 1.00 20.00 C HETATM 184 C HYP A 14 22.386 1.865 0.055 1.00 20.00 C HETATM 185 O HYP A 14 23.415 1.704 0.724 1.00 20.00 O HETATM 186 CB HYP A 14 22.136 -0.610 0.399 1.00 20.00 C HETATM 187 CG HYP A 14 21.002 -1.634 0.433 1.00 20.00 C HETATM 188 CD HYP A 14 19.744 -0.779 0.539 1.00 20.00 C HETATM 189 OD HYP A 14 21.078 -2.436 1.600 1.00 20.00 O HETATM 190 HA HYP A 14 21.390 0.474 -1.301 1.00 20.00 H HETATM 191 1HB HYP A 14 22.500 -0.387 1.402 1.00 20.00 H HETATM 192 2HB HYP A 14 22.954 -0.947 -0.221 1.00 20.00 H HETATM 193 1HD HYP A 14 19.075 -1.006 -0.277 1.00 20.00 H HETATM 194 2HD HYP A 14 19.251 -0.967 1.482 1.00 20.00 H HETATM 195 HOD HYP A 14 21.674 -2.024 2.230 1.00 20.00 H HETATM 196 HG HYP A 14 20.987 -2.141 -0.521 1.00 20.00 H HETATM 197 N AIB A 15 21.970 3.072 -0.457 1.00 20.00 N HETATM 198 CA AIB A 15 22.724 4.323 -0.262 1.00 20.00 C HETATM 199 C AIB A 15 24.055 4.080 0.480 1.00 20.00 C HETATM 200 O1 AIB A 15 25.117 4.152 -0.139 1.00 20.00 O HETATM 201 CB1 AIB A 15 23.074 4.937 -1.617 1.00 20.00 C HETATM 202 CB2 AIB A 15 21.907 5.301 0.581 1.00 20.00 C HETATM 203 1HN AIB A 15 21.135 3.144 -0.970 1.00 20.00 H HETATM 204 1HB1 AIB A 15 22.180 5.000 -2.228 1.00 20.00 H HETATM 205 2HB1 AIB A 15 23.797 4.325 -2.126 1.00 20.00 H HETATM 206 3HB1 AIB A 15 23.499 5.924 -1.468 1.00 20.00 H HETATM 207 1HB2 AIB A 15 22.539 5.726 1.353 1.00 20.00 H HETATM 208 2HB2 AIB A 15 21.088 4.791 1.050 1.00 20.00 H HETATM 209 3HB2 AIB A 15 21.511 6.083 -0.056 1.00 20.00 H ATOM 210 N PRO A 16 24.027 3.808 1.820 1.00 20.00 N ATOM 211 CA PRO A 16 25.293 3.595 2.545 1.00 20.00 C ATOM 212 C PRO A 16 26.336 2.835 1.726 1.00 20.00 C ATOM 213 O PRO A 16 27.539 3.007 1.926 1.00 20.00 O ATOM 214 CB PRO A 16 24.871 2.774 3.759 1.00 20.00 C ATOM 215 CG PRO A 16 23.507 3.266 4.074 1.00 20.00 C ATOM 216 CD PRO A 16 22.871 3.600 2.752 1.00 20.00 C ATOM 217 HA PRO A 16 25.717 4.532 2.874 1.00 20.00 H ATOM 218 1HB PRO A 16 24.868 1.724 3.506 1.00 20.00 H ATOM 219 2HB PRO A 16 25.555 2.955 4.576 1.00 20.00 H ATOM 220 1HG PRO A 16 22.945 2.492 4.575 1.00 20.00 H ATOM 221 2HG PRO A 16 23.568 4.148 4.693 1.00 20.00 H ATOM 222 1HD PRO A 16 22.253 2.780 2.417 1.00 20.00 H ATOM 223 2HD PRO A 16 22.283 4.503 2.838 1.00 20.00 H HETATM 224 C PDH A 17 26.037 -0.186 -0.333 1.00 20.00 C HETATM 225 O PDH A 17 26.807 -1.051 -1.148 1.00 20.00 O HETATM 226 CA PDH A 17 26.799 1.172 -0.063 1.00 20.00 C HETATM 227 N PDH A 17 25.871 1.992 0.813 1.00 20.00 N HETATM 228 CB PDH A 17 27.627 1.850 -1.121 1.00 20.00 C HETATM 229 CG PDH A 17 29.036 2.203 -0.706 1.00 20.00 C HETATM 230 CD1 PDH A 17 29.496 3.511 -0.800 1.00 20.00 C HETATM 231 CD2 PDH A 17 29.894 1.222 -0.223 1.00 20.00 C HETATM 232 CE1 PDH A 17 30.789 3.834 -0.420 1.00 20.00 C HETATM 233 CE2 PDH A 17 31.187 1.539 0.159 1.00 20.00 C HETATM 234 CZ PDH A 17 31.636 2.847 0.061 1.00 20.00 C HETATM 235 H1 PDH A 17 25.102 0.022 -0.832 1.00 20.00 H HETATM 236 H2 PDH A 17 25.841 -0.679 0.609 1.00 20.00 H HETATM 237 HO PDH A 17 26.229 -1.682 -1.583 1.00 20.00 H HETATM 238 HA PDH A 17 27.619 0.997 0.408 1.00 20.00 H HETATM 239 1HB PDH A 17 27.133 2.765 -1.416 1.00 20.00 H HETATM 240 2HB PDH A 17 27.695 1.200 -1.979 1.00 20.00 H HETATM 241 HD1 PDH A 17 28.836 4.280 -1.174 1.00 20.00 H HETATM 242 HD2 PDH A 17 29.545 0.203 -0.147 1.00 20.00 H HETATM 243 HE1 PDH A 17 31.137 4.855 -0.497 1.00 20.00 H HETATM 244 HE2 PDH A 17 31.845 0.769 0.533 1.00 20.00 H HETATM 245 HZ PDH A 17 32.644 3.096 0.357 1.00 20.00 H HETATM 246 HN PDH A 17 24.902 1.895 0.702 1.00 20.00 H TER 247 PDH A 17 ENDMDL MODEL 17 HETATM 1 C ACE A 1 -0.434 3.949 1.450 1.00 20.00 C HETATM 2 O ACE A 1 -0.759 3.918 2.637 1.00 20.00 O HETATM 3 CH3 ACE A 1 0.991 4.223 1.981 1.00 20.00 C HETATM 4 1H ACE A 1 1.666 4.393 1.155 1.00 20.00 H HETATM 5 2H ACE A 1 1.338 3.378 2.556 1.00 20.00 H HETATM 6 3H ACE A 1 0.981 5.100 2.615 1.00 20.00 H ATOM 7 N PHE A 2 -0.357 2.826 0.714 1.00 20.00 N ATOM 8 CA PHE A 2 -0.581 1.621 1.520 1.00 20.00 C ATOM 9 C PHE A 2 0.724 1.085 2.105 1.00 20.00 C ATOM 10 O PHE A 2 1.744 1.043 1.398 1.00 20.00 O ATOM 11 CB PHE A 2 -1.262 0.537 0.679 1.00 20.00 C ATOM 12 CG PHE A 2 -2.518 -0.011 1.297 1.00 20.00 C ATOM 13 CD1 PHE A 2 -3.702 -0.042 0.575 1.00 20.00 C ATOM 14 CD2 PHE A 2 -2.519 -0.496 2.596 1.00 20.00 C ATOM 15 CE1 PHE A 2 -4.859 -0.546 1.134 1.00 20.00 C ATOM 16 CE2 PHE A 2 -3.675 -1.001 3.161 1.00 20.00 C ATOM 17 CZ PHE A 2 -4.846 -1.026 2.430 1.00 20.00 C ATOM 18 H PHE A 2 0.572 2.640 0.452 1.00 20.00 H ATOM 19 HA PHE A 2 -1.236 1.889 2.335 1.00 20.00 H ATOM 20 1HB PHE A 2 -1.523 0.950 -0.285 1.00 20.00 H ATOM 21 2HB PHE A 2 -0.574 -0.283 0.539 1.00 20.00 H ATOM 22 HD1 PHE A 2 -3.713 0.332 -0.439 1.00 20.00 H ATOM 23 HD2 PHE A 2 -1.604 -0.476 3.170 1.00 20.00 H ATOM 24 HE1 PHE A 2 -5.774 -0.564 0.560 1.00 20.00 H ATOM 25 HE2 PHE A 2 -3.662 -1.375 4.174 1.00 20.00 H ATOM 26 HZ PHE A 2 -5.749 -1.421 2.869 1.00 20.00 H HETATM 27 N AIB A 3 0.659 0.690 3.399 1.00 20.00 N HETATM 28 CA AIB A 3 1.825 0.151 4.115 1.00 20.00 C HETATM 29 C AIB A 3 2.346 -1.135 3.444 1.00 20.00 C HETATM 30 O1 AIB A 3 2.210 -2.215 4.042 1.00 20.00 O HETATM 31 CB1 AIB A 3 1.448 -0.214 5.549 1.00 20.00 C HETATM 32 CB2 AIB A 3 2.971 1.162 4.097 1.00 20.00 C HETATM 33 1HN AIB A 3 -0.192 0.765 3.879 1.00 20.00 H HETATM 34 1HB1 AIB A 3 0.574 -0.857 5.538 1.00 20.00 H HETATM 35 2HB1 AIB A 3 1.218 0.674 6.107 1.00 20.00 H HETATM 36 3HB1 AIB A 3 2.283 -0.718 6.023 1.00 20.00 H HETATM 37 1HB2 AIB A 3 3.688 0.907 4.869 1.00 20.00 H HETATM 38 2HB2 AIB A 3 2.596 2.149 4.286 1.00 20.00 H HETATM 39 3HB2 AIB A 3 3.447 1.150 3.122 1.00 20.00 H HETATM 40 N AIB A 4 2.928 -0.989 2.213 1.00 20.00 N HETATM 41 CA AIB A 4 3.464 -2.133 1.461 1.00 20.00 C HETATM 42 C AIB A 4 4.264 -1.671 0.226 1.00 20.00 C HETATM 43 O1 AIB A 4 5.183 -2.399 -0.182 1.00 20.00 O HETATM 44 CB1 AIB A 4 4.422 -2.946 2.331 1.00 20.00 C HETATM 45 CB2 AIB A 4 2.317 -3.008 0.955 1.00 20.00 C HETATM 46 1HN AIB A 4 2.999 -0.100 1.797 1.00 20.00 H HETATM 47 1HB1 AIB A 4 3.859 -3.670 2.911 1.00 20.00 H HETATM 48 2HB1 AIB A 4 4.948 -2.298 3.007 1.00 20.00 H HETATM 49 3HB1 AIB A 4 5.145 -3.450 1.697 1.00 20.00 H HETATM 50 1HB2 AIB A 4 2.560 -4.053 1.117 1.00 20.00 H HETATM 51 2HB2 AIB A 4 2.166 -2.847 -0.096 1.00 20.00 H HETATM 52 3HB2 AIB A 4 1.405 -2.747 1.482 1.00 20.00 H HETATM 53 N AIB A 5 3.890 -0.478 -0.342 1.00 20.00 N HETATM 54 CA AIB A 5 4.564 0.076 -1.526 1.00 20.00 C HETATM 55 C AIB A 5 5.949 -0.566 -1.739 1.00 20.00 C HETATM 56 O1 AIB A 5 6.945 -0.009 -1.249 1.00 20.00 O HETATM 57 CB1 AIB A 5 3.733 -0.207 -2.779 1.00 20.00 C HETATM 58 CB2 AIB A 5 4.786 1.578 -1.350 1.00 20.00 C HETATM 59 1HN AIB A 5 3.146 0.055 0.024 1.00 20.00 H HETATM 60 1HB1 AIB A 5 3.046 -1.021 -2.578 1.00 20.00 H HETATM 61 2HB1 AIB A 5 4.375 -0.489 -3.592 1.00 20.00 H HETATM 62 3HB1 AIB A 5 3.187 0.687 -3.059 1.00 20.00 H HETATM 63 1HB2 AIB A 5 5.801 1.828 -1.640 1.00 20.00 H HETATM 64 2HB2 AIB A 5 4.641 1.855 -0.323 1.00 20.00 H HETATM 65 3HB2 AIB A 5 4.075 2.123 -1.962 1.00 20.00 H HETATM 66 N DIV A 6 5.984 -1.725 -2.472 1.00 20.00 N HETATM 67 CA DIV A 6 7.245 -2.438 -2.757 1.00 20.00 C HETATM 68 CB1 DIV A 6 7.047 -3.834 -3.309 1.00 20.00 C HETATM 69 CG1 DIV A 6 8.326 -4.654 -3.334 1.00 20.00 C HETATM 70 CB2 DIV A 6 7.955 -1.932 -4.005 1.00 20.00 C HETATM 71 C DIV A 6 8.211 -2.331 -1.552 1.00 20.00 C HETATM 72 O DIV A 6 9.255 -1.686 -1.649 1.00 20.00 O HETATM 73 1HN DIV A 6 5.159 -2.120 -2.842 1.00 20.00 H HETATM 74 1HB1 DIV A 6 6.667 -3.785 -4.321 1.00 20.00 H HETATM 75 2HB1 DIV A 6 6.333 -4.366 -2.699 1.00 20.00 H HETATM 76 1HG1 DIV A 6 8.107 -5.642 -3.714 1.00 20.00 H HETATM 77 2HG1 DIV A 6 8.727 -4.738 -2.333 1.00 20.00 H HETATM 78 3HG1 DIV A 6 9.053 -4.180 -3.974 1.00 20.00 H HETATM 79 1HB2 DIV A 6 8.051 -0.857 -3.954 1.00 20.00 H HETATM 80 2HB2 DIV A 6 7.391 -2.192 -4.889 1.00 20.00 H HETATM 81 3HB2 DIV A 6 8.940 -2.368 -4.070 1.00 20.00 H ATOM 82 N GLY A 7 7.846 -2.966 -0.416 1.00 20.00 N ATOM 83 CA GLY A 7 8.704 -2.900 0.753 1.00 20.00 C ATOM 84 C GLY A 7 8.808 -1.488 1.295 1.00 20.00 C ATOM 85 O GLY A 7 9.800 -1.127 1.928 1.00 20.00 O ATOM 86 H GLY A 7 7.000 -3.471 -0.363 1.00 20.00 H ATOM 87 1HA GLY A 7 9.691 -3.244 0.483 1.00 20.00 H ATOM 88 2HA GLY A 7 8.304 -3.546 1.522 1.00 20.00 H ATOM 89 N LEU A 8 7.777 -0.688 1.038 1.00 20.00 N ATOM 90 CA LEU A 8 7.743 0.696 1.491 1.00 20.00 C ATOM 91 C LEU A 8 9.095 1.377 1.287 1.00 20.00 C ATOM 92 O LEU A 8 9.686 1.886 2.254 1.00 20.00 O ATOM 93 CB LEU A 8 7.325 0.772 2.963 1.00 20.00 C ATOM 94 CG LEU A 8 7.595 -0.486 3.791 1.00 20.00 C ATOM 95 CD1 LEU A 8 9.028 -0.490 4.299 1.00 20.00 C ATOM 96 CD2 LEU A 8 6.614 -0.573 4.949 1.00 20.00 C ATOM 97 H LEU A 8 7.018 -1.037 0.525 1.00 20.00 H ATOM 98 HA LEU A 8 7.006 1.215 0.896 1.00 20.00 H ATOM 99 1HB LEU A 8 7.850 1.597 3.421 1.00 20.00 H ATOM 100 2HB LEU A 8 6.265 0.978 3.001 1.00 20.00 H ATOM 101 HG LEU A 8 7.456 -1.358 3.169 1.00 20.00 H ATOM 102 1HD1 LEU A 8 9.595 0.271 3.782 1.00 20.00 H ATOM 103 2HD1 LEU A 8 9.034 -0.285 5.360 1.00 20.00 H ATOM 104 3HD1 LEU A 8 9.472 -1.457 4.117 1.00 20.00 H ATOM 105 1HD2 LEU A 8 5.949 0.277 4.922 1.00 20.00 H ATOM 106 2HD2 LEU A 8 6.038 -1.483 4.866 1.00 20.00 H ATOM 107 3HD2 LEU A 8 7.159 -0.576 5.882 1.00 20.00 H HETATM 108 N AIB A 9 9.550 1.374 0.012 1.00 20.00 N HETATM 109 CA AIB A 9 10.827 1.993 -0.370 1.00 20.00 C HETATM 110 C AIB A 9 12.017 1.301 0.325 1.00 20.00 C HETATM 111 O1 AIB A 9 13.146 1.807 0.214 1.00 20.00 O HETATM 112 CB1 AIB A 9 11.043 1.853 -1.876 1.00 20.00 C HETATM 113 CB2 AIB A 9 10.841 3.463 0.045 1.00 20.00 C HETATM 114 1HN AIB A 9 9.007 0.950 -0.686 1.00 20.00 H HETATM 115 1HB1 AIB A 9 10.550 0.953 -2.229 1.00 20.00 H HETATM 116 2HB1 AIB A 9 12.092 1.779 -2.094 1.00 20.00 H HETATM 117 3HB1 AIB A 9 10.643 2.725 -2.381 1.00 20.00 H HETATM 118 1HB2 AIB A 9 10.326 3.576 0.993 1.00 20.00 H HETATM 119 2HB2 AIB A 9 10.341 4.060 -0.693 1.00 20.00 H HETATM 120 3HB2 AIB A 9 11.868 3.804 0.132 1.00 20.00 H HETATM 121 N AIB A 10 11.739 0.157 1.025 1.00 20.00 N HETATM 122 CA AIB A 10 12.780 -0.600 1.736 1.00 20.00 C HETATM 123 C AIB A 10 14.008 -0.848 0.836 1.00 20.00 C HETATM 124 O1 AIB A 10 15.135 -0.839 1.332 1.00 20.00 O HETATM 125 CB1 AIB A 10 13.266 0.180 2.956 1.00 20.00 C HETATM 126 CB2 AIB A 10 12.247 -1.973 2.147 1.00 20.00 C HETATM 127 1HN AIB A 10 10.820 -0.198 1.080 1.00 20.00 H HETATM 128 1HB1 AIB A 10 13.823 1.052 2.630 1.00 20.00 H HETATM 129 2HB1 AIB A 10 13.908 -0.434 3.558 1.00 20.00 H HETATM 130 3HB1 AIB A 10 12.411 0.482 3.554 1.00 20.00 H HETATM 131 1HB2 AIB A 10 13.071 -2.594 2.482 1.00 20.00 H HETATM 132 2HB2 AIB A 10 11.773 -2.451 1.310 1.00 20.00 H HETATM 133 3HB2 AIB A 10 11.519 -1.853 2.941 1.00 20.00 H HETATM 134 N HYP A 11 13.821 -1.077 -0.500 1.00 20.00 N HETATM 135 CA HYP A 11 14.995 -1.319 -1.356 1.00 20.00 C HETATM 136 C HYP A 11 15.705 -0.034 -1.785 1.00 20.00 C HETATM 137 O HYP A 11 16.276 0.029 -2.873 1.00 20.00 O HETATM 138 CB HYP A 11 14.439 -2.042 -2.595 1.00 20.00 C HETATM 139 CG HYP A 11 13.005 -2.433 -2.252 1.00 20.00 C HETATM 140 CD HYP A 11 12.590 -1.354 -1.280 1.00 20.00 C HETATM 141 OD HYP A 11 12.964 -3.673 -1.567 1.00 20.00 O HETATM 142 HA HYP A 11 15.708 -1.961 -0.861 1.00 20.00 H HETATM 143 1HB HYP A 11 15.043 -2.914 -2.800 1.00 20.00 H HETATM 144 2HB HYP A 11 14.472 -1.374 -3.444 1.00 20.00 H HETATM 145 1HD HYP A 11 12.265 -0.471 -1.811 1.00 20.00 H HETATM 146 2HD HYP A 11 11.802 -1.716 -0.637 1.00 20.00 H HETATM 147 HOD HYP A 11 13.853 -3.903 -1.287 1.00 20.00 H HETATM 148 HG HYP A 11 12.411 -2.333 -3.148 1.00 20.00 H ATOM 149 N GLN A 12 15.676 0.988 -0.934 1.00 20.00 N ATOM 150 CA GLN A 12 16.329 2.254 -1.247 1.00 20.00 C ATOM 151 C GLN A 12 17.645 2.391 -0.481 1.00 20.00 C ATOM 152 O GLN A 12 18.583 3.041 -0.972 1.00 20.00 O ATOM 153 CB GLN A 12 15.404 3.429 -0.921 1.00 20.00 C ATOM 154 CG GLN A 12 14.305 3.639 -1.951 1.00 20.00 C ATOM 155 CD GLN A 12 14.769 3.350 -3.365 1.00 20.00 C ATOM 156 OE1 GLN A 12 15.575 4.089 -3.930 1.00 20.00 O ATOM 157 NE2 GLN A 12 14.262 2.268 -3.943 1.00 20.00 N ATOM 158 H GLN A 12 15.211 0.889 -0.078 1.00 20.00 H ATOM 159 HA GLN A 12 16.544 2.260 -2.305 1.00 20.00 H ATOM 160 1HB GLN A 12 14.939 3.253 0.037 1.00 20.00 H ATOM 161 2HB GLN A 12 15.993 4.332 -0.865 1.00 20.00 H ATOM 162 1HG GLN A 12 13.480 2.984 -1.720 1.00 20.00 H ATOM 163 2HG GLN A 12 13.972 4.666 -1.900 1.00 20.00 H ATOM 164 1HE2 GLN A 12 13.627 1.725 -3.432 1.00 20.00 H ATOM 165 2HE2 GLN A 12 14.543 2.058 -4.858 1.00 20.00 H HETATM 166 N DIV A 13 17.680 1.767 0.720 1.00 20.00 N HETATM 167 CA DIV A 13 18.875 1.798 1.591 1.00 20.00 C HETATM 168 CB1 DIV A 13 18.934 2.992 2.499 1.00 20.00 C HETATM 169 CG1 DIV A 13 18.957 4.309 1.737 1.00 20.00 C HETATM 170 CB2 DIV A 13 18.817 0.834 2.767 1.00 20.00 C HETATM 171 C DIV A 13 20.163 1.581 0.756 1.00 20.00 C HETATM 172 O DIV A 13 21.181 2.166 1.099 1.00 20.00 O HETATM 173 1HN DIV A 13 16.886 1.279 1.024 1.00 20.00 H HETATM 174 1HB1 DIV A 13 19.830 2.946 3.103 1.00 20.00 H HETATM 175 2HB1 DIV A 13 18.071 3.006 3.150 1.00 20.00 H HETATM 176 1HG1 DIV A 13 19.826 4.346 1.093 1.00 20.00 H HETATM 177 2HG1 DIV A 13 19.001 5.126 2.441 1.00 20.00 H HETATM 178 3HG1 DIV A 13 18.060 4.402 1.139 1.00 20.00 H HETATM 179 1HB2 DIV A 13 19.699 0.953 3.380 1.00 20.00 H HETATM 180 2HB2 DIV A 13 18.771 -0.182 2.404 1.00 20.00 H HETATM 181 3HB2 DIV A 13 17.940 1.039 3.363 1.00 20.00 H HETATM 182 N HYP A 14 20.118 0.762 -0.353 1.00 20.00 N HETATM 183 CA HYP A 14 21.299 0.548 -1.211 1.00 20.00 C HETATM 184 C HYP A 14 22.543 1.378 -0.853 1.00 20.00 C HETATM 185 O HYP A 14 23.614 0.791 -0.617 1.00 20.00 O HETATM 186 CB HYP A 14 21.572 -0.936 -0.982 1.00 20.00 C HETATM 187 CG HYP A 14 20.186 -1.567 -1.023 1.00 20.00 C HETATM 188 CD HYP A 14 19.295 -0.491 -0.419 1.00 20.00 C HETATM 189 OD HYP A 14 20.122 -2.704 -0.177 1.00 20.00 O HETATM 190 HA HYP A 14 21.051 0.708 -2.263 1.00 20.00 H HETATM 191 1HB HYP A 14 22.052 -1.089 -0.016 1.00 20.00 H HETATM 192 2HB HYP A 14 22.204 -1.316 -1.772 1.00 20.00 H HETATM 193 1HD HYP A 14 18.428 -0.338 -1.044 1.00 20.00 H HETATM 194 2HD HYP A 14 18.989 -0.793 0.569 1.00 20.00 H HETATM 195 HOD HYP A 14 20.009 -3.497 -0.705 1.00 20.00 H HETATM 196 HG HYP A 14 19.911 -1.697 -2.059 1.00 20.00 H HETATM 197 N AIB A 15 22.392 2.733 -0.827 1.00 20.00 N HETATM 198 CA AIB A 15 23.503 3.642 -0.515 1.00 20.00 C HETATM 199 C AIB A 15 24.434 3.039 0.558 1.00 20.00 C HETATM 200 O1 AIB A 15 25.504 2.536 0.218 1.00 20.00 O HETATM 201 CB1 AIB A 15 24.351 3.868 -1.767 1.00 20.00 C HETATM 202 CB2 AIB A 15 22.970 4.968 0.025 1.00 20.00 C HETATM 203 1HN AIB A 15 21.520 3.134 -1.023 1.00 20.00 H HETATM 204 1HB1 AIB A 15 24.869 2.950 -2.022 1.00 20.00 H HETATM 205 2HB1 AIB A 15 25.077 4.638 -1.588 1.00 20.00 H HETATM 206 3HB1 AIB A 15 23.708 4.178 -2.584 1.00 20.00 H HETATM 207 1HB2 AIB A 15 23.563 5.275 0.878 1.00 20.00 H HETATM 208 2HB2 AIB A 15 21.947 4.857 0.336 1.00 20.00 H HETATM 209 3HB2 AIB A 15 23.016 5.720 -0.757 1.00 20.00 H ATOM 210 N PRO A 16 24.043 3.075 1.869 1.00 20.00 N ATOM 211 CA PRO A 16 24.910 2.505 2.899 1.00 20.00 C ATOM 212 C PRO A 16 25.633 1.247 2.423 1.00 20.00 C ATOM 213 O PRO A 16 26.746 0.954 2.862 1.00 20.00 O ATOM 214 CB PRO A 16 23.942 2.166 4.042 1.00 20.00 C ATOM 215 CG PRO A 16 22.682 2.927 3.764 1.00 20.00 C ATOM 216 CD PRO A 16 22.933 3.777 2.548 1.00 20.00 C ATOM 217 HA PRO A 16 25.638 3.225 3.245 1.00 20.00 H ATOM 218 1HB PRO A 16 23.761 1.102 4.053 1.00 20.00 H ATOM 219 2HB PRO A 16 24.380 2.466 4.983 1.00 20.00 H ATOM 220 1HG PRO A 16 21.875 2.237 3.572 1.00 20.00 H ATOM 221 2HG PRO A 16 22.441 3.552 4.612 1.00 20.00 H ATOM 222 1HD PRO A 16 22.056 3.812 1.923 1.00 20.00 H ATOM 223 2HD PRO A 16 23.228 4.773 2.834 1.00 20.00 H HETATM 224 C PDH A 17 24.581 -1.923 1.343 1.00 20.00 C HETATM 225 O PDH A 17 25.216 -3.190 1.323 1.00 20.00 O HETATM 226 CA PDH A 17 25.596 -0.770 0.972 1.00 20.00 C HETATM 227 N PDH A 17 24.993 0.506 1.526 1.00 20.00 N HETATM 228 CB PDH A 17 26.329 -0.747 -0.337 1.00 20.00 C HETATM 229 CG PDH A 17 27.631 0.011 -0.310 1.00 20.00 C HETATM 230 CD1 PDH A 17 28.779 -0.573 0.216 1.00 20.00 C HETATM 231 CD2 PDH A 17 27.707 1.304 -0.813 1.00 20.00 C HETATM 232 CE1 PDH A 17 29.979 0.121 0.239 1.00 20.00 C HETATM 233 CE2 PDH A 17 28.905 2.003 -0.793 1.00 20.00 C HETATM 234 CZ PDH A 17 30.041 1.409 -0.266 1.00 20.00 C HETATM 235 H1 PDH A 17 23.773 -1.930 0.626 1.00 20.00 H HETATM 236 H2 PDH A 17 24.185 -1.748 2.331 1.00 20.00 H HETATM 237 HO PDH A 17 24.746 -3.775 0.725 1.00 20.00 H HETATM 238 HA PDH A 17 26.453 -0.935 1.388 1.00 20.00 H HETATM 239 1HB PDH A 17 25.696 -0.291 -1.084 1.00 20.00 H HETATM 240 2HB PDH A 17 26.546 -1.762 -0.633 1.00 20.00 H HETATM 241 HD1 PDH A 17 28.730 -1.577 0.608 1.00 20.00 H HETATM 242 HD2 PDH A 17 26.823 1.767 -1.226 1.00 20.00 H HETATM 243 HE1 PDH A 17 30.864 -0.343 0.650 1.00 20.00 H HETATM 244 HE2 PDH A 17 28.952 3.007 -1.186 1.00 20.00 H HETATM 245 HZ PDH A 17 30.975 1.952 -0.249 1.00 20.00 H HETATM 246 HN PDH A 17 24.108 0.789 1.217 1.00 20.00 H TER 247 PDH A 17 ENDMDL MODEL 18 HETATM 1 C ACE A 1 1.755 4.536 0.985 1.00 20.00 C HETATM 2 O ACE A 1 0.829 4.937 1.689 1.00 20.00 O HETATM 3 CH3 ACE A 1 2.678 5.148 2.069 1.00 20.00 C HETATM 4 1H ACE A 1 2.432 6.194 2.207 1.00 20.00 H HETATM 5 2H ACE A 1 3.709 5.066 1.764 1.00 20.00 H HETATM 6 3H ACE A 1 2.539 4.628 3.005 1.00 20.00 H ATOM 7 N PHE A 2 2.079 3.228 0.916 1.00 20.00 N ATOM 8 CA PHE A 2 1.293 2.408 1.847 1.00 20.00 C ATOM 9 C PHE A 2 2.179 1.437 2.628 1.00 20.00 C ATOM 10 O PHE A 2 3.314 1.159 2.205 1.00 20.00 O ATOM 11 CB PHE A 2 0.222 1.627 1.085 1.00 20.00 C ATOM 12 CG PHE A 2 -1.004 2.435 0.767 1.00 20.00 C ATOM 13 CD1 PHE A 2 -1.506 2.478 -0.524 1.00 20.00 C ATOM 14 CD2 PHE A 2 -1.657 3.149 1.760 1.00 20.00 C ATOM 15 CE1 PHE A 2 -2.636 3.217 -0.819 1.00 20.00 C ATOM 16 CE2 PHE A 2 -2.787 3.890 1.469 1.00 20.00 C ATOM 17 CZ PHE A 2 -3.278 3.924 0.178 1.00 20.00 C ATOM 18 H PHE A 2 2.963 3.066 1.309 1.00 20.00 H ATOM 19 HA PHE A 2 0.809 3.070 2.548 1.00 20.00 H ATOM 20 1HB PHE A 2 0.638 1.276 0.152 1.00 20.00 H ATOM 21 2HB PHE A 2 -0.084 0.778 1.679 1.00 20.00 H ATOM 22 HD1 PHE A 2 -1.005 1.926 -1.305 1.00 20.00 H ATOM 23 HD2 PHE A 2 -1.275 3.123 2.769 1.00 20.00 H ATOM 24 HE1 PHE A 2 -3.015 3.242 -1.830 1.00 20.00 H ATOM 25 HE2 PHE A 2 -3.287 4.442 2.252 1.00 20.00 H ATOM 26 HZ PHE A 2 -4.160 4.502 -0.051 1.00 20.00 H HETATM 27 N AIB A 3 1.634 0.944 3.763 1.00 20.00 N HETATM 28 CA AIB A 3 2.352 0.002 4.632 1.00 20.00 C HETATM 29 C AIB A 3 2.597 -1.340 3.916 1.00 20.00 C HETATM 30 O1 AIB A 3 2.135 -2.378 4.422 1.00 20.00 O HETATM 31 CB1 AIB A 3 1.524 -0.304 5.879 1.00 20.00 C HETATM 32 CB2 AIB A 3 3.718 0.570 5.014 1.00 20.00 C HETATM 33 1HN AIB A 3 0.730 1.223 4.019 1.00 20.00 H HETATM 34 1HB1 AIB A 3 1.134 0.622 6.285 1.00 20.00 H HETATM 35 2HB1 AIB A 3 2.137 -0.777 6.621 1.00 20.00 H HETATM 36 3HB1 AIB A 3 0.713 -0.973 5.615 1.00 20.00 H HETATM 37 1HB2 AIB A 3 3.587 1.534 5.493 1.00 20.00 H HETATM 38 2HB2 AIB A 3 4.324 0.698 4.137 1.00 20.00 H HETATM 39 3HB2 AIB A 3 4.220 -0.120 5.686 1.00 20.00 H HETATM 40 N AIB A 4 3.318 -1.289 2.757 1.00 20.00 N HETATM 41 CA AIB A 4 3.626 -2.494 1.973 1.00 20.00 C HETATM 42 C AIB A 4 4.092 -2.129 0.550 1.00 20.00 C HETATM 43 O1 AIB A 4 4.801 -2.940 -0.069 1.00 20.00 O HETATM 44 CB1 AIB A 4 4.764 -3.273 2.632 1.00 20.00 C HETATM 45 CB2 AIB A 4 2.380 -3.367 1.831 1.00 20.00 C HETATM 46 1HN AIB A 4 3.656 -0.432 2.409 1.00 20.00 H HETATM 47 1HB1 AIB A 4 5.714 -2.911 2.256 1.00 20.00 H HETATM 48 2HB1 AIB A 4 4.677 -4.319 2.403 1.00 20.00 H HETATM 49 3HB1 AIB A 4 4.711 -3.146 3.708 1.00 20.00 H HETATM 50 1HB2 AIB A 4 2.177 -3.861 2.774 1.00 20.00 H HETATM 51 2HB2 AIB A 4 2.537 -4.114 1.076 1.00 20.00 H HETATM 52 3HB2 AIB A 4 1.538 -2.749 1.540 1.00 20.00 H HETATM 53 N AIB A 5 3.682 -0.917 0.062 1.00 20.00 N HETATM 54 CA AIB A 5 4.054 -0.447 -1.279 1.00 20.00 C HETATM 55 C AIB A 5 5.415 -1.028 -1.715 1.00 20.00 C HETATM 56 O1 AIB A 5 6.449 -0.409 -1.416 1.00 20.00 O HETATM 57 CB1 AIB A 5 3.014 -0.902 -2.302 1.00 20.00 C HETATM 58 CB2 AIB A 5 4.187 1.075 -1.280 1.00 20.00 C HETATM 59 1HN AIB A 5 3.117 -0.313 0.601 1.00 20.00 H HETATM 60 1HB1 AIB A 5 2.096 -0.343 -2.156 1.00 20.00 H HETATM 61 2HB1 AIB A 5 2.804 -1.947 -2.178 1.00 20.00 H HETATM 62 3HB1 AIB A 5 3.398 -0.741 -3.304 1.00 20.00 H HETATM 63 1HB2 AIB A 5 5.223 1.347 -1.108 1.00 20.00 H HETATM 64 2HB2 AIB A 5 3.585 1.499 -0.500 1.00 20.00 H HETATM 65 3HB2 AIB A 5 3.848 1.466 -2.234 1.00 20.00 H HETATM 66 N DIV A 6 5.383 -2.207 -2.415 1.00 20.00 N HETATM 67 CA DIV A 6 6.613 -2.872 -2.895 1.00 20.00 C HETATM 68 CB1 DIV A 6 6.394 -4.299 -3.349 1.00 20.00 C HETATM 69 CG1 DIV A 6 7.689 -5.076 -3.520 1.00 20.00 C HETATM 70 CB2 DIV A 6 7.069 -2.394 -4.267 1.00 20.00 C HETATM 71 C DIV A 6 7.754 -2.703 -1.863 1.00 20.00 C HETATM 72 O DIV A 6 8.801 -2.135 -2.180 1.00 20.00 O HETATM 73 1HN DIV A 6 4.529 -2.654 -2.625 1.00 20.00 H HETATM 74 1HB1 DIV A 6 5.870 -4.316 -4.295 1.00 20.00 H HETATM 75 2HB1 DIV A 6 5.799 -4.820 -2.614 1.00 20.00 H HETATM 76 1HG1 DIV A 6 8.229 -5.100 -2.583 1.00 20.00 H HETATM 77 2HG1 DIV A 6 8.301 -4.608 -4.277 1.00 20.00 H HETATM 78 3HG1 DIV A 6 7.460 -6.087 -3.823 1.00 20.00 H HETATM 79 1HB2 DIV A 6 7.156 -1.318 -4.266 1.00 20.00 H HETATM 80 2HB2 DIV A 6 6.351 -2.688 -5.019 1.00 20.00 H HETATM 81 3HB2 DIV A 6 8.029 -2.825 -4.505 1.00 20.00 H ATOM 82 N GLY A 7 7.540 -3.207 -0.628 1.00 20.00 N ATOM 83 CA GLY A 7 8.567 -3.093 0.393 1.00 20.00 C ATOM 84 C GLY A 7 8.767 -1.665 0.863 1.00 20.00 C ATOM 85 O GLY A 7 9.827 -1.317 1.379 1.00 20.00 O ATOM 86 H GLY A 7 6.691 -3.659 -0.406 1.00 20.00 H ATOM 87 1HA GLY A 7 9.499 -3.463 -0.008 1.00 20.00 H ATOM 88 2HA GLY A 7 8.285 -3.702 1.239 1.00 20.00 H ATOM 89 N LEU A 8 7.743 -0.840 0.683 1.00 20.00 N ATOM 90 CA LEU A 8 7.792 0.563 1.090 1.00 20.00 C ATOM 91 C LEU A 8 9.100 1.235 0.664 1.00 20.00 C ATOM 92 O LEU A 8 9.540 2.196 1.319 1.00 20.00 O ATOM 93 CB LEU A 8 7.598 0.691 2.606 1.00 20.00 C ATOM 94 CG LEU A 8 8.647 -0.012 3.470 1.00 20.00 C ATOM 95 CD1 LEU A 8 9.994 0.683 3.345 1.00 20.00 C ATOM 96 CD2 LEU A 8 8.199 -0.045 4.923 1.00 20.00 C ATOM 97 H LEU A 8 6.925 -1.184 0.266 1.00 20.00 H ATOM 98 HA LEU A 8 6.976 1.068 0.597 1.00 20.00 H ATOM 99 1HB LEU A 8 7.601 1.741 2.859 1.00 20.00 H ATOM 100 2HB LEU A 8 6.629 0.284 2.857 1.00 20.00 H ATOM 101 HG LEU A 8 8.762 -1.031 3.133 1.00 20.00 H ATOM 102 1HD1 LEU A 8 9.852 1.753 3.390 1.00 20.00 H ATOM 103 2HD1 LEU A 8 10.636 0.370 4.156 1.00 20.00 H ATOM 104 3HD1 LEU A 8 10.449 0.419 2.403 1.00 20.00 H ATOM 105 1HD2 LEU A 8 7.136 0.138 4.975 1.00 20.00 H ATOM 106 2HD2 LEU A 8 8.419 -1.014 5.346 1.00 20.00 H ATOM 107 3HD2 LEU A 8 8.723 0.719 5.479 1.00 20.00 H HETATM 108 N AIB A 9 9.687 0.725 -0.446 1.00 20.00 N HETATM 109 CA AIB A 9 10.936 1.272 -0.997 1.00 20.00 C HETATM 110 C AIB A 9 12.168 0.727 -0.247 1.00 20.00 C HETATM 111 O1 AIB A 9 13.257 1.300 -0.399 1.00 20.00 O HETATM 112 CB1 AIB A 9 11.095 0.868 -2.462 1.00 20.00 C HETATM 113 CB2 AIB A 9 10.957 2.793 -0.849 1.00 20.00 C HETATM 114 1HN AIB A 9 9.260 -0.026 -0.908 1.00 20.00 H HETATM 115 1HB1 AIB A 9 10.904 1.727 -3.096 1.00 20.00 H HETATM 116 2HB1 AIB A 9 10.396 0.092 -2.711 1.00 20.00 H HETATM 117 3HB1 AIB A 9 12.102 0.496 -2.625 1.00 20.00 H HETATM 118 1HB2 AIB A 9 11.563 3.064 0.008 1.00 20.00 H HETATM 119 2HB2 AIB A 9 9.961 3.165 -0.700 1.00 20.00 H HETATM 120 3HB2 AIB A 9 11.363 3.237 -1.752 1.00 20.00 H HETATM 121 N AIB A 10 11.971 -0.373 0.541 1.00 20.00 N HETATM 122 CA AIB A 10 13.062 -0.994 1.304 1.00 20.00 C HETATM 123 C AIB A 10 14.313 -1.197 0.422 1.00 20.00 C HETATM 124 O1 AIB A 10 15.427 -0.954 0.885 1.00 20.00 O HETATM 125 CB1 AIB A 10 13.475 -0.098 2.472 1.00 20.00 C HETATM 126 CB2 AIB A 10 12.638 -2.375 1.803 1.00 20.00 C HETATM 127 1HN AIB A 10 11.080 -0.791 0.621 1.00 20.00 H HETATM 128 1HB1 AIB A 10 14.536 -0.220 2.661 1.00 20.00 H HETATM 129 2HB1 AIB A 10 12.932 -0.371 3.357 1.00 20.00 H HETATM 130 3HB1 AIB A 10 13.250 0.935 2.229 1.00 20.00 H HETATM 131 1HB2 AIB A 10 11.638 -2.596 1.446 1.00 20.00 H HETATM 132 2HB2 AIB A 10 12.635 -2.395 2.875 1.00 20.00 H HETATM 133 3HB2 AIB A 10 13.340 -3.119 1.441 1.00 20.00 H HETATM 134 N HYP A 11 14.151 -1.647 -0.861 1.00 20.00 N HETATM 135 CA HYP A 11 15.338 -1.851 -1.714 1.00 20.00 C HETATM 136 C HYP A 11 15.947 -0.543 -2.217 1.00 20.00 C HETATM 137 O HYP A 11 16.914 -0.560 -2.978 1.00 20.00 O HETATM 138 CB HYP A 11 14.820 -2.676 -2.903 1.00 20.00 C HETATM 139 CG HYP A 11 13.509 -3.288 -2.431 1.00 20.00 C HETATM 140 CD HYP A 11 12.953 -2.192 -1.553 1.00 20.00 C HETATM 141 OD HYP A 11 13.739 -4.425 -1.615 1.00 20.00 O HETATM 142 HA HYP A 11 16.098 -2.414 -1.193 1.00 20.00 H HETATM 143 1HB HYP A 11 15.543 -3.439 -3.154 1.00 20.00 H HETATM 144 2HB HYP A 11 14.669 -2.027 -3.753 1.00 20.00 H HETATM 145 1HD HYP A 11 12.479 -1.431 -2.156 1.00 20.00 H HETATM 146 2HD HYP A 11 12.250 -2.601 -0.841 1.00 20.00 H HETATM 147 HOD HYP A 11 12.917 -4.903 -1.482 1.00 20.00 H HETATM 148 HG HYP A 11 12.863 -3.402 -3.290 1.00 20.00 H ATOM 149 N GLN A 12 15.386 0.588 -1.800 1.00 20.00 N ATOM 150 CA GLN A 12 15.900 1.886 -2.231 1.00 20.00 C ATOM 151 C GLN A 12 17.035 2.355 -1.326 1.00 20.00 C ATOM 152 O GLN A 12 18.172 2.519 -1.799 1.00 20.00 O ATOM 153 CB GLN A 12 14.786 2.936 -2.258 1.00 20.00 C ATOM 154 CG GLN A 12 13.850 2.793 -3.446 1.00 20.00 C ATOM 155 CD GLN A 12 14.596 2.578 -4.748 1.00 20.00 C ATOM 156 OE1 GLN A 12 14.813 1.443 -5.172 1.00 20.00 O ATOM 157 NE2 GLN A 12 14.999 3.671 -5.388 1.00 20.00 N ATOM 158 H GLN A 12 14.616 0.551 -1.195 1.00 20.00 H ATOM 159 HA GLN A 12 16.289 1.765 -3.231 1.00 20.00 H ATOM 160 1HB GLN A 12 14.205 2.856 -1.355 1.00 20.00 H ATOM 161 2HB GLN A 12 15.235 3.917 -2.301 1.00 20.00 H ATOM 162 1HG GLN A 12 13.199 1.946 -3.278 1.00 20.00 H ATOM 163 2HG GLN A 12 13.255 3.691 -3.531 1.00 20.00 H ATOM 164 1HE2 GLN A 12 14.794 4.543 -4.990 1.00 20.00 H ATOM 165 2HE2 GLN A 12 15.485 3.560 -6.231 1.00 20.00 H HETATM 166 N DIV A 13 16.699 2.563 -0.033 1.00 20.00 N HETATM 167 CA DIV A 13 17.681 3.020 0.972 1.00 20.00 C HETATM 168 CB1 DIV A 13 17.648 4.510 1.203 1.00 20.00 C HETATM 169 CG1 DIV A 13 16.242 5.067 1.371 1.00 20.00 C HETATM 170 CB2 DIV A 13 17.305 2.683 2.410 1.00 20.00 C HETATM 171 C DIV A 13 19.087 2.457 0.643 1.00 20.00 C HETATM 172 O DIV A 13 20.047 3.217 0.709 1.00 20.00 O HETATM 173 1HN DIV A 13 15.774 2.409 0.252 1.00 20.00 H HETATM 174 1HB1 DIV A 13 18.095 5.013 0.359 1.00 20.00 H HETATM 175 2HB1 DIV A 13 18.209 4.760 2.094 1.00 20.00 H HETATM 176 1HG1 DIV A 13 15.791 4.653 2.260 1.00 20.00 H HETATM 177 2HG1 DIV A 13 15.640 4.815 0.509 1.00 20.00 H HETATM 178 3HG1 DIV A 13 16.294 6.142 1.467 1.00 20.00 H HETATM 179 1HB2 DIV A 13 17.931 3.232 3.098 1.00 20.00 H HETATM 180 2HB2 DIV A 13 17.441 1.626 2.580 1.00 20.00 H HETATM 181 3HB2 DIV A 13 16.271 2.936 2.587 1.00 20.00 H HETATM 182 N HYP A 14 19.205 1.131 0.282 1.00 20.00 N HETATM 183 CA HYP A 14 20.497 0.522 -0.060 1.00 20.00 C HETATM 184 C HYP A 14 21.732 1.426 0.116 1.00 20.00 C HETATM 185 O HYP A 14 22.587 1.097 0.943 1.00 20.00 O HETATM 186 CB HYP A 14 20.542 -0.622 0.956 1.00 20.00 C HETATM 187 CG HYP A 14 19.120 -1.184 0.953 1.00 20.00 C HETATM 188 CD HYP A 14 18.260 0.006 0.541 1.00 20.00 C HETATM 189 OD HYP A 14 18.727 -1.570 2.259 1.00 20.00 O HETATM 190 HA HYP A 14 20.485 0.098 -1.068 1.00 20.00 H HETATM 191 1HB HYP A 14 20.817 -0.241 1.938 1.00 20.00 H HETATM 192 2HB HYP A 14 21.261 -1.362 0.636 1.00 20.00 H HETATM 193 1HD HYP A 14 17.707 -0.234 -0.355 1.00 20.00 H HETATM 194 2HD HYP A 14 17.578 0.257 1.338 1.00 20.00 H HETATM 195 HOD HYP A 14 18.133 -2.324 2.214 1.00 20.00 H HETATM 196 HG HYP A 14 19.063 -1.930 0.173 1.00 20.00 H HETATM 197 N AIB A 15 21.802 2.543 -0.673 1.00 20.00 N HETATM 198 CA AIB A 15 22.930 3.489 -0.617 1.00 20.00 C HETATM 199 C AIB A 15 23.865 3.206 0.580 1.00 20.00 C HETATM 200 O1 AIB A 15 25.021 2.839 0.366 1.00 20.00 O HETATM 201 CB1 AIB A 15 23.777 3.375 -1.885 1.00 20.00 C HETATM 202 CB2 AIB A 15 22.404 4.914 -0.442 1.00 20.00 C HETATM 203 1HN AIB A 15 21.086 2.747 -1.312 1.00 20.00 H HETATM 204 1HB1 AIB A 15 23.176 3.646 -2.746 1.00 20.00 H HETATM 205 2HB1 AIB A 15 24.124 2.367 -2.011 1.00 20.00 H HETATM 206 3HB1 AIB A 15 24.638 4.032 -1.806 1.00 20.00 H HETATM 207 1HB2 AIB A 15 21.320 4.902 -0.452 1.00 20.00 H HETATM 208 2HB2 AIB A 15 22.749 5.536 -1.246 1.00 20.00 H HETATM 209 3HB2 AIB A 15 22.769 5.321 0.496 1.00 20.00 H ATOM 210 N PRO A 16 23.404 3.409 1.855 1.00 20.00 N ATOM 211 CA PRO A 16 24.314 3.183 3.000 1.00 20.00 C ATOM 212 C PRO A 16 25.204 1.950 2.843 1.00 20.00 C ATOM 213 O PRO A 16 26.365 1.961 3.254 1.00 20.00 O ATOM 214 CB PRO A 16 23.376 3.013 4.197 1.00 20.00 C ATOM 215 CG PRO A 16 22.170 3.789 3.827 1.00 20.00 C ATOM 216 CD PRO A 16 22.004 3.580 2.352 1.00 20.00 C ATOM 217 HA PRO A 16 24.944 4.045 3.164 1.00 20.00 H ATOM 218 1HB PRO A 16 23.147 1.965 4.336 1.00 20.00 H ATOM 219 2HB PRO A 16 23.844 3.410 5.088 1.00 20.00 H ATOM 220 1HG PRO A 16 21.310 3.415 4.362 1.00 20.00 H ATOM 221 2HG PRO A 16 22.325 4.837 4.043 1.00 20.00 H ATOM 222 1HD PRO A 16 21.418 2.693 2.167 1.00 20.00 H ATOM 223 2HD PRO A 16 21.537 4.444 1.901 1.00 20.00 H HETATM 224 C PDH A 17 24.466 -1.561 2.480 1.00 20.00 C HETATM 225 O PDH A 17 25.166 -2.576 3.177 1.00 20.00 O HETATM 226 CA PDH A 17 25.437 -0.394 2.051 1.00 20.00 C HETATM 227 N PDH A 17 24.660 0.891 2.258 1.00 20.00 N HETATM 228 CB PDH A 17 26.373 -0.522 0.892 1.00 20.00 C HETATM 229 CG PDH A 17 27.216 0.698 0.659 1.00 20.00 C HETATM 230 CD1 PDH A 17 28.143 1.113 1.608 1.00 20.00 C HETATM 231 CD2 PDH A 17 27.083 1.432 -0.515 1.00 20.00 C HETATM 232 CE1 PDH A 17 28.921 2.239 1.393 1.00 20.00 C HETATM 233 CE2 PDH A 17 27.859 2.558 -0.736 1.00 20.00 C HETATM 234 CZ PDH A 17 28.779 2.962 0.218 1.00 20.00 C HETATM 235 H1 PDH A 17 24.013 -1.991 1.599 1.00 20.00 H HETATM 236 H2 PDH A 17 23.694 -1.166 3.124 1.00 20.00 H HETATM 237 HO PDH A 17 24.673 -3.398 3.126 1.00 20.00 H HETATM 238 HA PDH A 17 26.227 -0.393 2.609 1.00 20.00 H HETATM 239 1HB PDH A 17 25.801 -0.706 -0.004 1.00 20.00 H HETATM 240 2HB PDH A 17 27.038 -1.356 1.067 1.00 20.00 H HETATM 241 HD1 PDH A 17 28.253 0.549 2.522 1.00 20.00 H HETATM 242 HD2 PDH A 17 26.366 1.117 -1.258 1.00 20.00 H HETATM 243 HE1 PDH A 17 29.638 2.553 2.138 1.00 20.00 H HETATM 244 HE2 PDH A 17 27.747 3.119 -1.651 1.00 20.00 H HETATM 245 HZ PDH A 17 29.384 3.841 0.048 1.00 20.00 H HETATM 246 HN PDH A 17 23.729 0.937 1.955 1.00 20.00 H TER 247 PDH A 17 ENDMDL MODEL 19 HETATM 1 C ACE A 1 3.285 4.620 1.539 1.00 20.00 C HETATM 2 O ACE A 1 2.644 5.272 2.363 1.00 20.00 O HETATM 3 CH3 ACE A 1 4.393 4.587 2.619 1.00 20.00 C HETATM 4 1H ACE A 1 4.043 4.052 3.490 1.00 20.00 H HETATM 5 2H ACE A 1 4.650 5.599 2.908 1.00 20.00 H HETATM 6 3H ACE A 1 5.272 4.099 2.229 1.00 20.00 H ATOM 7 N PHE A 2 2.984 3.334 1.266 1.00 20.00 N ATOM 8 CA PHE A 2 1.920 2.813 2.132 1.00 20.00 C ATOM 9 C PHE A 2 2.265 1.428 2.679 1.00 20.00 C ATOM 10 O PHE A 2 3.380 0.930 2.449 1.00 20.00 O ATOM 11 CB PHE A 2 0.596 2.745 1.362 1.00 20.00 C ATOM 12 CG PHE A 2 -0.614 2.967 2.227 1.00 20.00 C ATOM 13 CD1 PHE A 2 -0.670 4.035 3.106 1.00 20.00 C ATOM 14 CD2 PHE A 2 -1.695 2.101 2.161 1.00 20.00 C ATOM 15 CE1 PHE A 2 -1.781 4.238 3.903 1.00 20.00 C ATOM 16 CE2 PHE A 2 -2.808 2.299 2.955 1.00 20.00 C ATOM 17 CZ PHE A 2 -2.851 3.368 3.827 1.00 20.00 C ATOM 18 H PHE A 2 3.705 2.739 1.564 1.00 20.00 H ATOM 19 HA PHE A 2 1.808 3.490 2.968 1.00 20.00 H ATOM 20 1HB PHE A 2 0.593 3.497 0.582 1.00 20.00 H ATOM 21 2HB PHE A 2 0.505 1.769 0.908 1.00 20.00 H ATOM 22 HD1 PHE A 2 0.166 4.718 3.166 1.00 20.00 H ATOM 23 HD2 PHE A 2 -1.663 1.265 1.478 1.00 20.00 H ATOM 24 HE1 PHE A 2 -1.811 5.075 4.586 1.00 20.00 H ATOM 25 HE2 PHE A 2 -3.644 1.616 2.894 1.00 20.00 H ATOM 26 HZ PHE A 2 -3.720 3.525 4.450 1.00 20.00 H HETATM 27 N AIB A 3 1.288 0.841 3.404 1.00 20.00 N HETATM 28 CA AIB A 3 1.451 -0.488 4.011 1.00 20.00 C HETATM 29 C AIB A 3 1.595 -1.582 2.935 1.00 20.00 C HETATM 30 O1 AIB A 3 0.754 -2.495 2.902 1.00 20.00 O HETATM 31 CB1 AIB A 3 0.215 -0.843 4.834 1.00 20.00 C HETATM 32 CB2 AIB A 3 2.709 -0.526 4.877 1.00 20.00 C HETATM 33 1HN AIB A 3 0.441 1.315 3.536 1.00 20.00 H HETATM 34 1HB1 AIB A 3 -0.643 -0.926 4.176 1.00 20.00 H HETATM 35 2HB1 AIB A 3 0.023 -0.077 5.560 1.00 20.00 H HETATM 36 3HB1 AIB A 3 0.388 -1.781 5.351 1.00 20.00 H HETATM 37 1HB2 AIB A 3 2.800 0.409 5.420 1.00 20.00 H HETATM 38 2HB2 AIB A 3 3.579 -0.652 4.260 1.00 20.00 H HETATM 39 3HB2 AIB A 3 2.646 -1.359 5.568 1.00 20.00 H HETATM 40 N AIB A 4 2.661 -1.467 2.085 1.00 20.00 N HETATM 41 CA AIB A 4 2.920 -2.445 1.019 1.00 20.00 C HETATM 42 C AIB A 4 3.546 -1.769 -0.219 1.00 20.00 C HETATM 43 O1 AIB A 4 4.117 -2.483 -1.058 1.00 20.00 O HETATM 44 CB1 AIB A 4 3.914 -3.496 1.510 1.00 20.00 C HETATM 45 CB2 AIB A 4 1.618 -3.101 0.561 1.00 20.00 C HETATM 46 1HN AIB A 4 3.295 -0.717 2.169 1.00 20.00 H HETATM 47 1HB1 AIB A 4 3.487 -4.026 2.356 1.00 20.00 H HETATM 48 2HB1 AIB A 4 4.826 -3.027 1.822 1.00 20.00 H HETATM 49 3HB1 AIB A 4 4.134 -4.189 0.706 1.00 20.00 H HETATM 50 1HB2 AIB A 4 0.796 -2.408 0.702 1.00 20.00 H HETATM 51 2HB2 AIB A 4 1.428 -3.986 1.137 1.00 20.00 H HETATM 52 3HB2 AIB A 4 1.703 -3.379 -0.485 1.00 20.00 H HETATM 53 N AIB A 5 3.422 -0.405 -0.303 1.00 20.00 N HETATM 54 CA AIB A 5 3.969 0.363 -1.430 1.00 20.00 C HETATM 55 C AIB A 5 5.293 -0.249 -1.931 1.00 20.00 C HETATM 56 O1 AIB A 5 6.362 0.198 -1.484 1.00 20.00 O HETATM 57 CB1 AIB A 5 2.992 0.348 -2.605 1.00 20.00 C HETATM 58 CB2 AIB A 5 4.272 1.797 -0.996 1.00 20.00 C HETATM 59 1HN AIB A 5 2.954 0.109 0.396 1.00 20.00 H HETATM 60 1HB1 AIB A 5 2.234 1.109 -2.453 1.00 20.00 H HETATM 61 2HB1 AIB A 5 2.511 -0.609 -2.675 1.00 20.00 H HETATM 62 3HB1 AIB A 5 3.534 0.534 -3.528 1.00 20.00 H HETATM 63 1HB2 AIB A 5 4.518 1.809 0.061 1.00 20.00 H HETATM 64 2HB2 AIB A 5 3.414 2.420 -1.157 1.00 20.00 H HETATM 65 3HB2 AIB A 5 5.100 2.184 -1.580 1.00 20.00 H HETATM 66 N DIV A 6 5.193 -1.260 -2.852 1.00 20.00 N HETATM 67 CA DIV A 6 6.381 -1.932 -3.414 1.00 20.00 C HETATM 68 CB1 DIV A 6 6.059 -3.170 -4.212 1.00 20.00 C HETATM 69 CG1 DIV A 6 4.911 -2.976 -5.191 1.00 20.00 C HETATM 70 CB2 DIV A 6 6.997 -1.197 -4.598 1.00 20.00 C HETATM 71 C DIV A 6 7.449 -2.146 -2.316 1.00 20.00 C HETATM 72 O DIV A 6 8.618 -1.813 -2.511 1.00 20.00 O HETATM 73 1HN DIV A 6 4.315 -1.573 -3.172 1.00 20.00 H HETATM 74 1HB1 DIV A 6 5.777 -3.965 -3.538 1.00 20.00 H HETATM 75 2HB1 DIV A 6 6.924 -3.483 -4.778 1.00 20.00 H HETATM 76 1HG1 DIV A 6 5.176 -2.229 -5.921 1.00 20.00 H HETATM 77 2HG1 DIV A 6 4.024 -2.660 -4.659 1.00 20.00 H HETATM 78 3HG1 DIV A 6 4.710 -3.910 -5.693 1.00 20.00 H HETATM 79 1HB2 DIV A 6 6.223 -0.896 -5.286 1.00 20.00 H HETATM 80 2HB2 DIV A 6 7.702 -1.837 -5.111 1.00 20.00 H HETATM 81 3HB2 DIV A 6 7.515 -0.317 -4.246 1.00 20.00 H ATOM 82 N GLY A 7 7.030 -2.704 -1.160 1.00 20.00 N ATOM 83 CA GLY A 7 7.978 -2.930 -0.088 1.00 20.00 C ATOM 84 C GLY A 7 8.401 -1.637 0.587 1.00 20.00 C ATOM 85 O GLY A 7 9.524 -1.529 1.073 1.00 20.00 O ATOM 86 H GLY A 7 6.085 -2.960 -1.031 1.00 20.00 H ATOM 87 1HA GLY A 7 8.854 -3.411 -0.496 1.00 20.00 H ATOM 88 2HA GLY A 7 7.532 -3.588 0.648 1.00 20.00 H ATOM 89 N LEU A 8 7.503 -0.652 0.616 1.00 20.00 N ATOM 90 CA LEU A 8 7.799 0.639 1.231 1.00 20.00 C ATOM 91 C LEU A 8 9.252 1.041 0.984 1.00 20.00 C ATOM 92 O LEU A 8 9.883 1.656 1.861 1.00 20.00 O ATOM 93 CB LEU A 8 7.504 0.617 2.737 1.00 20.00 C ATOM 94 CG LEU A 8 7.921 -0.654 3.483 1.00 20.00 C ATOM 95 CD1 LEU A 8 9.342 -0.521 4.009 1.00 20.00 C ATOM 96 CD2 LEU A 8 6.954 -0.940 4.623 1.00 20.00 C ATOM 97 H LEU A 8 6.623 -0.790 0.207 1.00 20.00 H ATOM 98 HA LEU A 8 7.158 1.372 0.764 1.00 20.00 H ATOM 99 1HB LEU A 8 8.015 1.453 3.190 1.00 20.00 H ATOM 100 2HB LEU A 8 6.441 0.752 2.873 1.00 20.00 H ATOM 101 HG LEU A 8 7.893 -1.492 2.807 1.00 20.00 H ATOM 102 1HD1 LEU A 8 9.677 0.498 3.888 1.00 20.00 H ATOM 103 2HD1 LEU A 8 9.366 -0.786 5.055 1.00 20.00 H ATOM 104 3HD1 LEU A 8 9.993 -1.181 3.455 1.00 20.00 H ATOM 105 1HD2 LEU A 8 6.578 -0.009 5.020 1.00 20.00 H ATOM 106 2HD2 LEU A 8 6.129 -1.533 4.255 1.00 20.00 H ATOM 107 3HD2 LEU A 8 7.467 -1.483 5.403 1.00 20.00 H HETATM 108 N AIB A 9 9.750 0.682 -0.222 1.00 20.00 N HETATM 109 CA AIB A 9 11.129 0.993 -0.628 1.00 20.00 C HETATM 110 C AIB A 9 12.142 0.556 0.449 1.00 20.00 C HETATM 111 O1 AIB A 9 13.201 1.193 0.562 1.00 20.00 O HETATM 112 CB1 AIB A 9 11.483 0.232 -1.906 1.00 20.00 C HETATM 113 CB2 AIB A 9 11.298 2.498 -0.829 1.00 20.00 C HETATM 114 1HN AIB A 9 9.175 0.200 -0.853 1.00 20.00 H HETATM 115 1HB1 AIB A 9 11.496 0.921 -2.744 1.00 20.00 H HETATM 116 2HB1 AIB A 9 10.752 -0.530 -2.098 1.00 20.00 H HETATM 117 3HB1 AIB A 9 12.454 -0.238 -1.789 1.00 20.00 H HETATM 118 1HB2 AIB A 9 10.398 3.009 -0.503 1.00 20.00 H HETATM 119 2HB2 AIB A 9 11.460 2.717 -1.868 1.00 20.00 H HETATM 120 3HB2 AIB A 9 12.154 2.845 -0.262 1.00 20.00 H HETATM 121 N AIB A 10 11.792 -0.520 1.220 1.00 20.00 N HETATM 122 CA AIB A 10 12.663 -1.040 2.282 1.00 20.00 C HETATM 123 C AIB A 10 14.017 -1.520 1.714 1.00 20.00 C HETATM 124 O1 AIB A 10 15.061 -1.175 2.266 1.00 20.00 O HETATM 125 CB1 AIB A 10 12.961 0.056 3.304 1.00 20.00 C HETATM 126 CB2 AIB A 10 12.010 -2.246 2.957 1.00 20.00 C HETATM 127 1HN AIB A 10 10.930 -0.983 1.088 1.00 20.00 H HETATM 128 1HB1 AIB A 10 12.188 0.059 4.066 1.00 20.00 H HETATM 129 2HB1 AIB A 10 12.976 1.017 2.824 1.00 20.00 H HETATM 130 3HB1 AIB A 10 13.932 -0.123 3.754 1.00 20.00 H HETATM 131 1HB2 AIB A 10 11.154 -2.565 2.372 1.00 20.00 H HETATM 132 2HB2 AIB A 10 11.675 -1.983 3.942 1.00 20.00 H HETATM 133 3HB2 AIB A 10 12.733 -3.050 3.037 1.00 20.00 H HETATM 134 N HYP A 11 14.026 -2.329 0.609 1.00 20.00 N HETATM 135 CA HYP A 11 15.314 -2.799 0.068 1.00 20.00 C HETATM 136 C HYP A 11 16.045 -1.739 -0.756 1.00 20.00 C HETATM 137 O HYP A 11 17.066 -2.030 -1.380 1.00 20.00 O HETATM 138 CB HYP A 11 14.951 -3.992 -0.835 1.00 20.00 C HETATM 139 CG HYP A 11 13.500 -4.334 -0.513 1.00 20.00 C HETATM 140 CD HYP A 11 12.925 -2.990 -0.136 1.00 20.00 C HETATM 141 OD HYP A 11 13.414 -5.180 0.621 1.00 20.00 O HETATM 142 HA HYP A 11 15.966 -3.139 0.859 1.00 20.00 H HETATM 143 1HB HYP A 11 15.607 -4.821 -0.616 1.00 20.00 H HETATM 144 2HB HYP A 11 15.065 -3.705 -1.870 1.00 20.00 H HETATM 145 1HD HYP A 11 12.669 -2.429 -1.023 1.00 20.00 H HETATM 146 2HD HYP A 11 12.058 -3.120 0.493 1.00 20.00 H HETATM 147 HOD HYP A 11 13.436 -4.654 1.424 1.00 20.00 H HETATM 148 HG HYP A 11 13.028 -4.666 -1.426 1.00 20.00 H ATOM 149 N GLN A 12 15.526 -0.516 -0.763 1.00 20.00 N ATOM 150 CA GLN A 12 16.152 0.563 -1.524 1.00 20.00 C ATOM 151 C GLN A 12 17.354 1.136 -0.781 1.00 20.00 C ATOM 152 O GLN A 12 18.306 1.611 -1.423 1.00 20.00 O ATOM 153 CB GLN A 12 15.143 1.679 -1.812 1.00 20.00 C ATOM 154 CG GLN A 12 14.315 1.461 -3.071 1.00 20.00 C ATOM 155 CD GLN A 12 15.172 1.244 -4.304 1.00 20.00 C ATOM 156 OE1 GLN A 12 15.844 0.222 -4.439 1.00 20.00 O ATOM 157 NE2 GLN A 12 15.150 2.209 -5.215 1.00 20.00 N ATOM 158 H GLN A 12 14.711 -0.335 -0.252 1.00 20.00 H ATOM 159 HA GLN A 12 16.496 0.147 -2.458 1.00 20.00 H ATOM 160 1HB GLN A 12 14.468 1.762 -0.977 1.00 20.00 H ATOM 161 2HB GLN A 12 15.679 2.611 -1.919 1.00 20.00 H ATOM 162 1HG GLN A 12 13.683 0.595 -2.931 1.00 20.00 H ATOM 163 2HG GLN A 12 13.696 2.331 -3.232 1.00 20.00 H ATOM 164 1HE2 GLN A 12 14.590 2.995 -5.044 1.00 20.00 H ATOM 165 2HE2 GLN A 12 15.694 2.097 -6.023 1.00 20.00 H HETATM 166 N DIV A 13 17.280 1.085 0.568 1.00 20.00 N HETATM 167 CA DIV A 13 18.356 1.605 1.436 1.00 20.00 C HETATM 168 CB1 DIV A 13 18.128 3.042 1.855 1.00 20.00 C HETATM 169 CG1 DIV A 13 16.661 3.367 2.094 1.00 20.00 C HETATM 170 CB2 DIV A 13 18.319 1.070 2.864 1.00 20.00 C HETATM 171 C DIV A 13 19.741 1.368 0.782 1.00 20.00 C HETATM 172 O DIV A 13 20.541 2.299 0.763 1.00 20.00 O HETATM 173 1HN DIV A 13 16.485 0.695 0.988 1.00 20.00 H HETATM 174 1HB1 DIV A 13 18.479 3.701 1.074 1.00 20.00 H HETATM 175 2HB1 DIV A 13 18.669 3.265 2.765 1.00 20.00 H HETATM 176 1HG1 DIV A 13 16.097 3.198 1.186 1.00 20.00 H HETATM 177 2HG1 DIV A 13 16.568 4.404 2.382 1.00 20.00 H HETATM 178 3HG1 DIV A 13 16.268 2.742 2.883 1.00 20.00 H HETATM 179 1HB2 DIV A 13 17.480 1.489 3.399 1.00 20.00 H HETATM 180 2HB2 DIV A 13 19.232 1.334 3.375 1.00 20.00 H HETATM 181 3HB2 DIV A 13 18.221 -0.004 2.848 1.00 20.00 H HETATM 182 N HYP A 14 20.023 0.134 0.232 1.00 20.00 N HETATM 183 CA HYP A 14 21.306 -0.140 -0.421 1.00 20.00 C HETATM 184 C HYP A 14 22.214 1.081 -0.633 1.00 20.00 C HETATM 185 O HYP A 14 23.372 1.062 -0.181 1.00 20.00 O HETATM 186 CB HYP A 14 21.923 -1.115 0.581 1.00 20.00 C HETATM 187 CG HYP A 14 20.762 -2.038 0.957 1.00 20.00 C HETATM 188 CD HYP A 14 19.519 -1.193 0.688 1.00 20.00 C HETATM 189 OD HYP A 14 20.783 -2.341 2.342 1.00 20.00 O HETATM 190 HA HYP A 14 21.159 -0.652 -1.375 1.00 20.00 H HETATM 191 1HB HYP A 14 22.299 -0.576 1.450 1.00 20.00 H HETATM 192 2HB HYP A 14 22.727 -1.660 0.111 1.00 20.00 H HETATM 193 1HD HYP A 14 18.921 -1.653 -0.086 1.00 20.00 H HETATM 194 2HD HYP A 14 18.942 -1.098 1.592 1.00 20.00 H HETATM 195 HOD HYP A 14 19.927 -2.687 2.602 1.00 20.00 H HETATM 196 HG HYP A 14 20.763 -2.868 0.264 1.00 20.00 H HETATM 197 N AIB A 15 21.676 2.120 -1.331 1.00 20.00 N HETATM 198 CA AIB A 15 22.432 3.345 -1.624 1.00 20.00 C HETATM 199 C AIB A 15 23.321 3.754 -0.431 1.00 20.00 C HETATM 200 O1 AIB A 15 24.519 3.475 -0.448 1.00 20.00 O HETATM 201 CB1 AIB A 15 23.371 3.095 -2.804 1.00 20.00 C HETATM 202 CB2 AIB A 15 21.478 4.500 -1.927 1.00 20.00 C HETATM 203 1HN AIB A 15 20.754 2.061 -1.662 1.00 20.00 H HETATM 204 1HB1 AIB A 15 23.451 3.999 -3.398 1.00 20.00 H HETATM 205 2HB1 AIB A 15 22.985 2.307 -3.423 1.00 20.00 H HETATM 206 3HB1 AIB A 15 24.346 2.800 -2.432 1.00 20.00 H HETATM 207 1HB2 AIB A 15 21.867 5.413 -1.488 1.00 20.00 H HETATM 208 2HB2 AIB A 15 20.510 4.302 -1.508 1.00 20.00 H HETATM 209 3HB2 AIB A 15 21.377 4.612 -3.001 1.00 20.00 H ATOM 210 N PRO A 16 22.757 4.426 0.619 1.00 20.00 N ATOM 211 CA PRO A 16 23.593 4.825 1.754 1.00 20.00 C ATOM 212 C PRO A 16 24.654 3.784 2.098 1.00 20.00 C ATOM 213 O PRO A 16 25.721 4.118 2.614 1.00 20.00 O ATOM 214 CB PRO A 16 22.604 4.972 2.920 1.00 20.00 C ATOM 215 CG PRO A 16 21.232 4.934 2.323 1.00 20.00 C ATOM 216 CD PRO A 16 21.396 4.972 0.829 1.00 20.00 C ATOM 217 HA PRO A 16 24.075 5.775 1.569 1.00 20.00 H ATOM 218 1HB PRO A 16 22.748 4.158 3.614 1.00 20.00 H ATOM 219 2HB PRO A 16 22.784 5.910 3.424 1.00 20.00 H ATOM 220 1HG PRO A 16 20.732 4.024 2.618 1.00 20.00 H ATOM 221 2HG PRO A 16 20.668 5.793 2.657 1.00 20.00 H ATOM 222 1HD PRO A 16 20.654 4.349 0.354 1.00 20.00 H ATOM 223 2HD PRO A 16 21.328 5.986 0.467 1.00 20.00 H HETATM 224 C PDH A 17 24.555 0.445 3.132 1.00 20.00 C HETATM 225 O PDH A 17 25.457 -0.427 3.791 1.00 20.00 O HETATM 226 CA PDH A 17 25.313 1.389 2.116 1.00 20.00 C HETATM 227 N PDH A 17 24.351 2.523 1.816 1.00 20.00 N HETATM 228 CB PDH A 17 26.202 0.851 1.029 1.00 20.00 C HETATM 229 CG PDH A 17 27.437 1.677 0.753 1.00 20.00 C HETATM 230 CD1 PDH A 17 27.339 3.044 0.516 1.00 20.00 C HETATM 231 CD2 PDH A 17 28.693 1.082 0.731 1.00 20.00 C HETATM 232 CE1 PDH A 17 28.472 3.801 0.262 1.00 20.00 C HETATM 233 CE2 PDH A 17 29.829 1.834 0.478 1.00 20.00 C HETATM 234 CZ PDH A 17 29.718 3.195 0.242 1.00 20.00 C HETATM 235 H1 PDH A 17 23.828 -0.148 2.597 1.00 20.00 H HETATM 236 H2 PDH A 17 24.053 1.048 3.874 1.00 20.00 H HETATM 237 HO PDH A 17 25.397 -0.295 4.739 1.00 20.00 H HETATM 238 HA PDH A 17 26.110 1.738 2.530 1.00 20.00 H HETATM 239 1HB PDH A 17 25.635 0.792 0.112 1.00 20.00 H HETATM 240 2HB PDH A 17 26.528 -0.140 1.304 1.00 20.00 H HETATM 241 HD1 PDH A 17 26.369 3.517 0.531 1.00 20.00 H HETATM 242 HD2 PDH A 17 28.780 0.021 0.915 1.00 20.00 H HETATM 243 HE1 PDH A 17 28.385 4.861 0.079 1.00 20.00 H HETATM 244 HE2 PDH A 17 30.800 1.360 0.464 1.00 20.00 H HETATM 245 HZ PDH A 17 30.602 3.783 0.045 1.00 20.00 H HETATM 246 HN PDH A 17 23.483 2.318 1.411 1.00 20.00 H TER 247 PDH A 17 ENDMDL MODEL 20 HETATM 1 C ACE A 1 0.028 4.175 1.693 1.00 20.00 C HETATM 2 O ACE A 1 -0.724 4.249 2.665 1.00 20.00 O HETATM 3 CH3 ACE A 1 0.945 5.135 2.490 1.00 20.00 C HETATM 4 1H ACE A 1 1.781 5.438 1.878 1.00 20.00 H HETATM 5 2H ACE A 1 1.312 4.641 3.377 1.00 20.00 H HETATM 6 3H ACE A 1 0.386 6.015 2.783 1.00 20.00 H ATOM 7 N PHE A 2 0.761 3.071 1.453 1.00 20.00 N ATOM 8 CA PHE A 2 0.630 2.082 2.524 1.00 20.00 C ATOM 9 C PHE A 2 1.957 1.371 2.791 1.00 20.00 C ATOM 10 O PHE A 2 2.813 1.303 1.890 1.00 20.00 O ATOM 11 CB PHE A 2 -0.443 1.052 2.163 1.00 20.00 C ATOM 12 CG PHE A 2 -1.796 1.361 2.738 1.00 20.00 C ATOM 13 CD1 PHE A 2 -1.985 1.412 4.110 1.00 20.00 C ATOM 14 CD2 PHE A 2 -2.880 1.596 1.906 1.00 20.00 C ATOM 15 CE1 PHE A 2 -3.230 1.694 4.642 1.00 20.00 C ATOM 16 CE2 PHE A 2 -4.126 1.879 2.432 1.00 20.00 C ATOM 17 CZ PHE A 2 -4.302 1.927 3.802 1.00 20.00 C ATOM 18 H PHE A 2 1.719 3.254 1.559 1.00 20.00 H ATOM 19 HA PHE A 2 0.329 2.601 3.422 1.00 20.00 H ATOM 20 1HB PHE A 2 -0.541 1.009 1.089 1.00 20.00 H ATOM 21 2HB PHE A 2 -0.137 0.083 2.530 1.00 20.00 H ATOM 22 HD1 PHE A 2 -1.148 1.231 4.767 1.00 20.00 H ATOM 23 HD2 PHE A 2 -2.744 1.560 0.836 1.00 20.00 H ATOM 24 HE1 PHE A 2 -3.364 1.731 5.713 1.00 20.00 H ATOM 25 HE2 PHE A 2 -4.962 2.061 1.774 1.00 20.00 H ATOM 26 HZ PHE A 2 -5.276 2.147 4.215 1.00 20.00 H HETATM 27 N AIB A 3 2.092 0.853 4.035 1.00 20.00 N HETATM 28 CA AIB A 3 3.302 0.136 4.459 1.00 20.00 C HETATM 29 C AIB A 3 3.512 -1.141 3.622 1.00 20.00 C HETATM 30 O1 AIB A 3 3.455 -2.243 4.193 1.00 20.00 O HETATM 31 CB1 AIB A 3 3.174 -0.304 5.916 1.00 20.00 C HETATM 32 CB2 AIB A 3 4.536 1.018 4.265 1.00 20.00 C HETATM 33 1HN AIB A 3 1.360 0.958 4.678 1.00 20.00 H HETATM 34 1HB1 AIB A 3 2.529 -1.174 5.972 1.00 20.00 H HETATM 35 2HB1 AIB A 3 2.744 0.485 6.503 1.00 20.00 H HETATM 36 3HB1 AIB A 3 4.158 -0.536 6.308 1.00 20.00 H HETATM 37 1HB2 AIB A 3 5.212 0.882 5.103 1.00 20.00 H HETATM 38 2HB2 AIB A 3 4.248 2.051 4.221 1.00 20.00 H HETATM 39 3HB2 AIB A 3 5.028 0.751 3.337 1.00 20.00 H HETATM 40 N AIB A 4 3.743 -0.962 2.287 1.00 20.00 N HETATM 41 CA AIB A 4 3.953 -2.089 1.370 1.00 20.00 C HETATM 42 C AIB A 4 4.688 -1.636 0.094 1.00 20.00 C HETATM 43 O1 AIB A 4 5.510 -2.409 -0.422 1.00 20.00 O HETATM 44 CB1 AIB A 4 4.807 -3.165 2.042 1.00 20.00 C HETATM 45 CB2 AIB A 4 2.609 -2.664 0.923 1.00 20.00 C HETATM 46 1HN AIB A 4 3.772 -0.056 1.898 1.00 20.00 H HETATM 47 1HB1 AIB A 4 4.172 -3.794 2.659 1.00 20.00 H HETATM 48 2HB1 AIB A 4 5.552 -2.711 2.664 1.00 20.00 H HETATM 49 3HB1 AIB A 4 5.302 -3.759 1.281 1.00 20.00 H HETATM 50 1HB2 AIB A 4 2.779 -3.483 0.231 1.00 20.00 H HETATM 51 2HB2 AIB A 4 2.029 -1.908 0.427 1.00 20.00 H HETATM 52 3HB2 AIB A 4 2.059 -3.012 1.791 1.00 20.00 H HETATM 53 N AIB A 5 4.372 -0.389 -0.387 1.00 20.00 N HETATM 54 CA AIB A 5 4.997 0.168 -1.596 1.00 20.00 C HETATM 55 C AIB A 5 6.375 -0.470 -1.855 1.00 20.00 C HETATM 56 O1 AIB A 5 7.388 0.109 -1.429 1.00 20.00 O HETATM 57 CB1 AIB A 5 4.127 -0.117 -2.820 1.00 20.00 C HETATM 58 CB2 AIB A 5 5.222 1.670 -1.428 1.00 20.00 C HETATM 59 1HN AIB A 5 3.706 0.184 0.070 1.00 20.00 H HETATM 60 1HB1 AIB A 5 3.528 -1.003 -2.637 1.00 20.00 H HETATM 61 2HB1 AIB A 5 4.745 -0.289 -3.681 1.00 20.00 H HETATM 62 3HB1 AIB A 5 3.487 0.737 -3.014 1.00 20.00 H HETATM 63 1HB2 AIB A 5 5.157 1.929 -0.376 1.00 20.00 H HETATM 64 2HB2 AIB A 5 4.475 2.220 -1.966 1.00 20.00 H HETATM 65 3HB2 AIB A 5 6.200 1.935 -1.821 1.00 20.00 H HETATM 66 N DIV A 6 6.385 -1.655 -2.545 1.00 20.00 N HETATM 67 CA DIV A 6 7.637 -2.375 -2.854 1.00 20.00 C HETATM 68 CB1 DIV A 6 7.412 -3.762 -3.371 1.00 20.00 C HETATM 69 CG1 DIV A 6 6.601 -4.626 -2.416 1.00 20.00 C HETATM 70 CB2 DIV A 6 8.318 -1.935 -4.143 1.00 20.00 C HETATM 71 C DIV A 6 8.626 -2.268 -1.669 1.00 20.00 C HETATM 72 O DIV A 6 9.725 -1.737 -1.822 1.00 20.00 O HETATM 73 1HN DIV A 6 5.546 -2.070 -2.856 1.00 20.00 H HETATM 74 1HB1 DIV A 6 8.363 -4.250 -3.527 1.00 20.00 H HETATM 75 2HB1 DIV A 6 6.875 -3.721 -4.308 1.00 20.00 H HETATM 76 1HG1 DIV A 6 5.629 -4.178 -2.253 1.00 20.00 H HETATM 77 2HG1 DIV A 6 7.121 -4.716 -1.471 1.00 20.00 H HETATM 78 3HG1 DIV A 6 6.472 -5.607 -2.847 1.00 20.00 H HETATM 79 1HB2 DIV A 6 8.645 -0.910 -4.051 1.00 20.00 H HETATM 80 2HB2 DIV A 6 7.624 -2.014 -4.967 1.00 20.00 H HETATM 81 3HB2 DIV A 6 9.173 -2.565 -4.337 1.00 20.00 H ATOM 82 N GLY A 7 8.214 -2.775 -0.485 1.00 20.00 N ATOM 83 CA GLY A 7 9.084 -2.702 0.673 1.00 20.00 C ATOM 84 C GLY A 7 9.327 -1.271 1.113 1.00 20.00 C ATOM 85 O GLY A 7 10.359 -0.968 1.708 1.00 20.00 O ATOM 86 H GLY A 7 7.323 -3.189 -0.392 1.00 20.00 H ATOM 87 1HA GLY A 7 10.030 -3.158 0.427 1.00 20.00 H ATOM 88 2HA GLY A 7 8.632 -3.253 1.488 1.00 20.00 H ATOM 89 N LEU A 8 8.372 -0.394 0.809 1.00 20.00 N ATOM 90 CA LEU A 8 8.464 1.022 1.156 1.00 20.00 C ATOM 91 C LEU A 8 9.895 1.552 1.026 1.00 20.00 C ATOM 92 O LEU A 8 10.453 2.071 2.007 1.00 20.00 O ATOM 93 CB LEU A 8 7.926 1.278 2.571 1.00 20.00 C ATOM 94 CG LEU A 8 8.574 0.461 3.688 1.00 20.00 C ATOM 95 CD1 LEU A 8 9.205 1.375 4.727 1.00 20.00 C ATOM 96 CD2 LEU A 8 7.547 -0.458 4.333 1.00 20.00 C ATOM 97 H LEU A 8 7.579 -0.708 0.325 1.00 20.00 H ATOM 98 HA LEU A 8 7.841 1.560 0.456 1.00 20.00 H ATOM 99 1HB LEU A 8 8.064 2.326 2.797 1.00 20.00 H ATOM 100 2HB LEU A 8 6.867 1.067 2.571 1.00 20.00 H ATOM 101 HG LEU A 8 9.354 -0.152 3.272 1.00 20.00 H ATOM 102 1HD1 LEU A 8 8.445 2.014 5.154 1.00 20.00 H ATOM 103 2HD1 LEU A 8 9.653 0.778 5.507 1.00 20.00 H ATOM 104 3HD1 LEU A 8 9.965 1.983 4.259 1.00 20.00 H ATOM 105 1HD2 LEU A 8 6.723 -0.611 3.651 1.00 20.00 H ATOM 106 2HD2 LEU A 8 8.007 -1.409 4.560 1.00 20.00 H ATOM 107 3HD2 LEU A 8 7.183 -0.007 5.244 1.00 20.00 H HETATM 108 N AIB A 9 10.450 1.430 -0.207 1.00 20.00 N HETATM 109 CA AIB A 9 11.806 1.913 -0.511 1.00 20.00 C HETATM 110 C AIB A 9 12.883 0.942 0.013 1.00 20.00 C HETATM 111 O1 AIB A 9 14.078 1.254 -0.124 1.00 20.00 O HETATM 112 CB1 AIB A 9 11.996 2.020 -2.024 1.00 20.00 C HETATM 113 CB2 AIB A 9 12.042 3.264 0.163 1.00 20.00 C HETATM 114 1HN AIB A 9 9.925 1.022 -0.928 1.00 20.00 H HETATM 115 1HB1 AIB A 9 11.033 2.178 -2.497 1.00 20.00 H HETATM 116 2HB1 AIB A 9 12.424 1.114 -2.408 1.00 20.00 H HETATM 117 3HB1 AIB A 9 12.664 2.845 -2.245 1.00 20.00 H HETATM 118 1HB2 AIB A 9 12.147 3.119 1.234 1.00 20.00 H HETATM 119 2HB2 AIB A 9 11.210 3.918 -0.016 1.00 20.00 H HETATM 120 3HB2 AIB A 9 12.938 3.719 -0.246 1.00 20.00 H HETATM 121 N AIB A 10 12.439 -0.210 0.601 1.00 20.00 N HETATM 122 CA AIB A 10 13.359 -1.217 1.146 1.00 20.00 C HETATM 123 C AIB A 10 14.364 -1.697 0.077 1.00 20.00 C HETATM 124 O1 AIB A 10 15.559 -1.778 0.362 1.00 20.00 O HETATM 125 CB1 AIB A 10 14.169 -0.621 2.296 1.00 20.00 C HETATM 126 CB2 AIB A 10 12.579 -2.445 1.613 1.00 20.00 C HETATM 127 1HN AIB A 10 11.475 -0.404 0.682 1.00 20.00 H HETATM 128 1HB1 AIB A 10 13.514 -0.439 3.141 1.00 20.00 H HETATM 129 2HB1 AIB A 10 14.611 0.310 1.994 1.00 20.00 H HETATM 130 3HB1 AIB A 10 14.961 -1.308 2.574 1.00 20.00 H HETATM 131 1HB2 AIB A 10 11.709 -2.582 0.980 1.00 20.00 H HETATM 132 2HB2 AIB A 10 12.251 -2.312 2.626 1.00 20.00 H HETATM 133 3HB2 AIB A 10 13.220 -3.320 1.567 1.00 20.00 H HETATM 134 N HYP A 11 13.899 -2.031 -1.165 1.00 20.00 N HETATM 135 CA HYP A 11 14.852 -2.500 -2.190 1.00 20.00 C HETATM 136 C HYP A 11 15.690 -1.376 -2.793 1.00 20.00 C HETATM 137 O HYP A 11 16.692 -1.633 -3.462 1.00 20.00 O HETATM 138 CB HYP A 11 13.970 -3.135 -3.279 1.00 20.00 C HETATM 139 CG HYP A 11 12.613 -3.361 -2.624 1.00 20.00 C HETATM 140 CD HYP A 11 12.516 -2.183 -1.684 1.00 20.00 C HETATM 141 OD HYP A 11 12.615 -4.543 -1.842 1.00 20.00 O HETATM 142 HA HYP A 11 15.514 -3.253 -1.788 1.00 20.00 H HETATM 143 1HB HYP A 11 14.410 -4.066 -3.602 1.00 20.00 H HETATM 144 2HB HYP A 11 13.893 -2.460 -4.119 1.00 20.00 H HETATM 145 1HD HYP A 11 12.206 -1.297 -2.221 1.00 20.00 H HETATM 146 2HD HYP A 11 11.826 -2.398 -0.882 1.00 20.00 H HETATM 147 HOD HYP A 11 13.344 -4.517 -1.218 1.00 20.00 H HETATM 148 HG HYP A 11 11.853 -3.259 -3.385 1.00 20.00 H ATOM 149 N GLN A 12 15.282 -0.132 -2.565 1.00 20.00 N ATOM 150 CA GLN A 12 16.009 1.012 -3.105 1.00 20.00 C ATOM 151 C GLN A 12 16.914 1.643 -2.051 1.00 20.00 C ATOM 152 O GLN A 12 18.089 1.925 -2.339 1.00 20.00 O ATOM 153 CB GLN A 12 15.031 2.056 -3.643 1.00 20.00 C ATOM 154 CG GLN A 12 14.226 1.578 -4.842 1.00 20.00 C ATOM 155 CD GLN A 12 15.060 1.472 -6.103 1.00 20.00 C ATOM 156 OE1 GLN A 12 15.322 2.471 -6.773 1.00 20.00 O ATOM 157 NE2 GLN A 12 15.484 0.257 -6.433 1.00 20.00 N ATOM 158 H GLN A 12 14.475 0.019 -2.029 1.00 20.00 H ATOM 159 HA GLN A 12 16.625 0.658 -3.919 1.00 20.00 H ATOM 160 1HB GLN A 12 14.342 2.324 -2.858 1.00 20.00 H ATOM 161 2HB GLN A 12 15.586 2.935 -3.938 1.00 20.00 H ATOM 162 1HG GLN A 12 13.814 0.604 -4.620 1.00 20.00 H ATOM 163 2HG GLN A 12 13.420 2.276 -5.019 1.00 20.00 H ATOM 164 1HE2 GLN A 12 15.238 -0.493 -5.852 1.00 20.00 H ATOM 165 2HE2 GLN A 12 16.024 0.160 -7.245 1.00 20.00 H HETATM 166 N DIV A 13 16.339 1.863 -0.847 1.00 20.00 N HETATM 167 CA DIV A 13 17.075 2.478 0.277 1.00 20.00 C HETATM 168 CB1 DIV A 13 16.872 3.986 0.314 1.00 20.00 C HETATM 169 CG1 DIV A 13 17.878 4.751 1.162 1.00 20.00 C HETATM 170 CB2 DIV A 13 16.442 2.267 1.646 1.00 20.00 C HETATM 171 C DIV A 13 18.545 1.987 0.294 1.00 20.00 C HETATM 172 O DIV A 13 19.431 2.804 0.516 1.00 20.00 O HETATM 173 1HN DIV A 13 15.399 1.616 -0.716 1.00 20.00 H HETATM 174 1HB1 DIV A 13 15.885 4.217 0.690 1.00 20.00 H HETATM 175 2HB1 DIV A 13 16.953 4.371 -0.692 1.00 20.00 H HETATM 176 1HG1 DIV A 13 17.984 4.286 2.132 1.00 20.00 H HETATM 177 2HG1 DIV A 13 17.531 5.766 1.291 1.00 20.00 H HETATM 178 3HG1 DIV A 13 18.834 4.765 0.662 1.00 20.00 H HETATM 179 1HB2 DIV A 13 17.037 2.751 2.405 1.00 20.00 H HETATM 180 2HB2 DIV A 13 16.384 1.212 1.863 1.00 20.00 H HETATM 181 3HB2 DIV A 13 15.446 2.687 1.655 1.00 20.00 H HETATM 182 N HYP A 14 18.809 0.652 0.049 1.00 20.00 N HETATM 183 CA HYP A 14 20.181 0.115 0.032 1.00 20.00 C HETATM 184 C HYP A 14 21.300 1.131 0.325 1.00 20.00 C HETATM 185 O HYP A 14 22.022 0.948 1.312 1.00 20.00 O HETATM 186 CB HYP A 14 20.095 -0.908 1.164 1.00 20.00 C HETATM 187 CG HYP A 14 18.743 -1.588 0.951 1.00 20.00 C HETATM 188 CD HYP A 14 17.900 -0.511 0.277 1.00 20.00 C HETATM 189 OD HYP A 14 18.131 -1.897 2.191 1.00 20.00 O HETATM 190 HA HYP A 14 20.392 -0.411 -0.904 1.00 20.00 H HETATM 191 1HB HYP A 14 20.138 -0.406 2.131 1.00 20.00 H HETATM 192 2HB HYP A 14 20.910 -1.612 1.081 1.00 20.00 H HETATM 193 1HD HYP A 14 17.518 -0.877 -0.664 1.00 20.00 H HETATM 194 2HD HYP A 14 17.083 -0.233 0.925 1.00 20.00 H HETATM 195 HOD HYP A 14 18.308 -1.190 2.816 1.00 20.00 H HETATM 196 HG HYP A 14 18.888 -2.395 0.249 1.00 20.00 H HETATM 197 N AIB A 15 21.420 2.177 -0.548 1.00 20.00 N HETATM 198 CA AIB A 15 22.448 3.224 -0.403 1.00 20.00 C HETATM 199 C AIB A 15 23.243 3.073 0.912 1.00 20.00 C HETATM 200 O1 AIB A 15 24.436 2.773 0.864 1.00 20.00 O HETATM 201 CB1 AIB A 15 23.457 3.132 -1.548 1.00 20.00 C HETATM 202 CB2 AIB A 15 21.787 4.601 -0.371 1.00 20.00 C HETATM 203 1HN AIB A 15 20.809 2.260 -1.311 1.00 20.00 H HETATM 204 1HB1 AIB A 15 22.982 3.440 -2.474 1.00 20.00 H HETATM 205 2HB1 AIB A 15 23.803 2.121 -1.658 1.00 20.00 H HETATM 206 3HB1 AIB A 15 24.307 3.770 -1.331 1.00 20.00 H HETATM 207 1HB2 AIB A 15 20.742 4.492 -0.102 1.00 20.00 H HETATM 208 2HB2 AIB A 15 21.848 5.064 -1.336 1.00 20.00 H HETATM 209 3HB2 AIB A 15 22.298 5.230 0.352 1.00 20.00 H ATOM 210 N PRO A 16 22.616 3.316 2.106 1.00 20.00 N ATOM 211 CA PRO A 16 23.385 3.215 3.366 1.00 20.00 C ATOM 212 C PRO A 16 24.396 2.067 3.373 1.00 20.00 C ATOM 213 O PRO A 16 25.485 2.195 3.931 1.00 20.00 O ATOM 214 CB PRO A 16 22.318 2.991 4.436 1.00 20.00 C ATOM 215 CG PRO A 16 21.113 3.657 3.891 1.00 20.00 C ATOM 216 CD PRO A 16 21.154 3.406 2.414 1.00 20.00 C ATOM 217 HA PRO A 16 23.907 4.138 3.573 1.00 20.00 H ATOM 218 1HB PRO A 16 22.159 1.932 4.577 1.00 20.00 H ATOM 219 2HB PRO A 16 22.632 3.442 5.367 1.00 20.00 H ATOM 220 1HG PRO A 16 20.223 3.224 4.324 1.00 20.00 H ATOM 221 2HG PRO A 16 21.154 4.717 4.092 1.00 20.00 H ATOM 222 1HD PRO A 16 20.655 2.478 2.179 1.00 20.00 H ATOM 223 2HD PRO A 16 20.698 4.225 1.880 1.00 20.00 H HETATM 224 C PDH A 17 23.983 -1.505 2.507 1.00 20.00 C HETATM 225 O PDH A 17 24.707 -2.649 2.089 1.00 20.00 O HETATM 226 CA PDH A 17 24.942 -0.265 2.704 1.00 20.00 C HETATM 227 N PDH A 17 24.031 0.947 2.760 1.00 20.00 N HETATM 228 CB PDH A 17 26.282 -0.169 2.024 1.00 20.00 C HETATM 229 CG PDH A 17 27.432 0.217 2.924 1.00 20.00 C HETATM 230 CD1 PDH A 17 27.960 -0.699 3.829 1.00 20.00 C HETATM 231 CD2 PDH A 17 27.984 1.491 2.861 1.00 20.00 C HETATM 232 CE1 PDH A 17 29.018 -0.349 4.655 1.00 20.00 C HETATM 233 CE2 PDH A 17 29.041 1.847 3.685 1.00 20.00 C HETATM 234 CZ PDH A 17 29.559 0.925 4.582 1.00 20.00 C HETATM 235 H1 PDH A 17 23.242 -1.271 1.757 1.00 20.00 H HETATM 236 H2 PDH A 17 23.491 -1.730 3.442 1.00 20.00 H HETATM 237 HO PDH A 17 24.193 -3.438 2.275 1.00 20.00 H HETATM 238 HA PDH A 17 25.418 -0.353 3.535 1.00 20.00 H HETATM 239 1HB PDH A 17 26.219 0.568 1.237 1.00 20.00 H HETATM 240 2HB PDH A 17 26.519 -1.127 1.586 1.00 20.00 H HETATM 241 HD1 PDH A 17 27.540 -1.692 3.885 1.00 20.00 H HETATM 242 HD2 PDH A 17 27.582 2.210 2.162 1.00 20.00 H HETATM 243 HE1 PDH A 17 29.419 -1.068 5.353 1.00 20.00 H HETATM 244 HE2 PDH A 17 29.461 2.840 3.628 1.00 20.00 H HETATM 245 HZ PDH A 17 30.382 1.199 5.224 1.00 20.00 H HETATM 246 HN PDH A 17 23.149 0.900 2.335 1.00 20.00 H TER 247 PDH A 17 ENDMDL CONECT 1 2 3 7 CONECT 2 1 CONECT 3 1 CONECT 7 1 CONECT 9 27 CONECT 27 28 9 CONECT 28 27 29 31 32 CONECT 29 28 30 40 CONECT 30 29 CONECT 31 28 CONECT 32 28 CONECT 40 41 29 CONECT 41 40 42 44 45 CONECT 42 41 43 53 CONECT 43 42 CONECT 44 41 CONECT 45 41 CONECT 53 54 42 CONECT 54 53 55 57 58 CONECT 55 54 56 66 CONECT 56 55 CONECT 57 54 CONECT 58 54 CONECT 66 55 67 CONECT 67 66 68 70 71 CONECT 68 67 69 CONECT 69 68 CONECT 70 67 CONECT 71 67 72 82 CONECT 72 71 CONECT 82 71 CONECT 108 109 CONECT 109 108 110 112 113 CONECT 110 109 111 CONECT 111 110 CONECT 112 109 CONECT 113 109 CONECT 121 122 CONECT 122 121 123 125 126 CONECT 123 134 122 124 CONECT 124 123 CONECT 125 122 CONECT 126 122 CONECT 134 123 135 140 CONECT 135 134 136 138 CONECT 136 149 135 137 CONECT 137 136 CONECT 138 135 139 CONECT 139 138 140 141 CONECT 140 134 139 CONECT 141 139 CONECT 149 136 CONECT 151 166 CONECT 166 167 151 CONECT 167 166 168 170 171 CONECT 168 167 169 CONECT 169 168 CONECT 170 167 CONECT 171 167 172 182 CONECT 172 171 CONECT 182 171 183 188 CONECT 183 182 184 186 CONECT 184 197 183 185 CONECT 185 184 CONECT 186 183 187 CONECT 187 186 188 189 CONECT 188 182 187 CONECT 189 187 CONECT 197 184 198 CONECT 198 197 199 201 202 CONECT 199 198 200 CONECT 200 199 CONECT 201 198 CONECT 202 198 CONECT 212 227 CONECT 224 225 226 CONECT 225 224 CONECT 226 224 227 228 CONECT 227 212 226 CONECT 228 226 229 CONECT 229 228 230 231 CONECT 230 229 232 CONECT 231 229 233 CONECT 232 230 234 CONECT 233 231 234 CONECT 234 232 233 MASTER 96 0 12 0 0 0 0 6 4920 20 86 2 END