HEADER ANTIBIOTIC 13-DEC-99 1DLZ TITLE SOLUTION STRUCTURE OF THE CHANNEL-FORMER ZERVAMICIN IIB TITLE 2 (PEPTAIBOL ANTIBIOTIC) COMPND MOL_ID: 1; COMPND 2 MOLECULE: ZERVAMICIN IIB; COMPND 3 CHAIN: A SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: EMERICELLOPSIS SALMOSYNNEMATA KEYWDS NMR, ANTIBIOTIC, ZERVAMICIN, CHANNEL-FORMER, PEPTAIBOL, KEYWDS 2 BENT HELIX EXPDTA NMR, 20 STRUCTURES AUTHOR T.A.BALASHOVA,Z.O.SHENKAREV,A.A.TAGAEV,T.V.OVCHINNIKOVA, AUTHOR 2 J.RAAP,A.S.ARSENIEV REVDAT 1 03-FEB-00 1DLZ 0 JRNL AUTH T.A.BALASHOVA,Z.O.SHENKAREV,A.A.TAGAEV, JRNL AUTH 2 T.V.OVCHINNIKOVA,J.RAAP,A.S.ARSENIEV JRNL TITL NMR STRUCTURE OF THE CHANNEL-FORMER ZERVAMICIN IIB JRNL TITL 2 IN ISOTROPIC SOLVENTS JRNL REF FEBS LETT. V. 466 333 2000 JRNL REFN ASTM FEBLAL NE ISSN 0014-5793 REMARK 1 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : DISCOVER 3.1 REMARK 3 AUTHORS : INSIGHT II/95 REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: 335 NOESY PEAKS, 129 UPPER REMARK 3 CONSTRAINTS, 19 ADDITIONAL LOWER CONSTRAINTS, 48 REMARK 3 ADDITIONAL CONSTRAINTS FOR HYDROGEN BONDS, 12 ANGLE REMARK 3 CONSTRAINTS REMARK 4 REMARK 4 1DLZ COMPLIES WITH FORMAT V. 2.3, 09-JULY-1998 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 21-DEC-1999. REMARK 100 THE RCSB ID CODE IS RCSB010197. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 303.00 REMARK 210 PH : 5.80 REMARK 210 IONIC STRENGTH : 0 REMARK 210 PRESSURE : 1ATM REMARK 210 SAMPLE CONTENTS : 10MM ZERVAMICIN IIB REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : 2D NOESY, DQF-COSY, 2D REMARK 210 TOCSY REMARK 210 SPECTROMETER FIELD STRENGTH : 600 MHZ REMARK 210 SPECTROMETER MODEL : UNITY REMARK 210 SPECTROMETER MANUFACTURER : VARIAN REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : DYANA 1.5 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 : BEST 20 OUT OF 100 WITH REMARK 210 CA BACKBONE RMSD NO LESS REMARK 210 THAN 0.05 ANGSTROMS REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : NULL REMARK 210 REMARK 210 REMARK: NOESY SPECTRUM 200MS, WE DETERMINED N15HB CONSTANT REMARK 210 FROM NOESY SPECTRA (N15 ENRICHED SAMPLE) 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 470 REMARK 470 MISSING ATOM REMARK 470 THE FOLLOWING RESIDUES HAVE MISSING ATOMS(M=MODEL NUMBER; REMARK 470 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER; REMARK 470 I=INSERTION CODE): REMARK 470 M RES CSSEQI ATOMS REMARK 470 1 AIB A 8 O2 REMARK 470 1 AIB A 10 O2 REMARK 470 1 AIB A 13 O2 REMARK 470 1 AIB A 15 O2 REMARK 470 2 AIB A 8 O2 REMARK 470 2 AIB A 10 O2 REMARK 470 2 AIB A 13 O2 REMARK 470 2 AIB A 15 O2 REMARK 470 3 AIB A 8 O2 REMARK 470 3 AIB A 10 O2 REMARK 470 3 AIB A 13 O2 REMARK 470 3 AIB A 15 O2 REMARK 470 4 AIB A 8 O2 REMARK 470 4 AIB A 10 O2 REMARK 470 4 AIB A 13 O2 REMARK 470 4 AIB A 15 O2 REMARK 470 5 AIB A 8 O2 REMARK 470 5 AIB A 10 O2 REMARK 470 5 AIB A 13 O2 REMARK 470 5 AIB A 15 O2 REMARK 470 6 AIB A 8 O2 REMARK 470 6 AIB A 10 O2 REMARK 470 6 AIB A 13 O2 REMARK 470 6 AIB A 15 O2 REMARK 470 7 AIB A 8 O2 REMARK 470 7 AIB A 10 O2 REMARK 470 7 AIB A 13 O2 REMARK 470 7 AIB A 15 O2 REMARK 470 8 AIB A 8 O2 REMARK 470 8 AIB A 10 O2 REMARK 470 8 AIB A 13 O2 REMARK 470 8 AIB A 15 O2 REMARK 470 9 AIB A 8 O2 REMARK 470 9 AIB A 10 O2 REMARK 470 9 AIB A 13 O2 REMARK 470 9 AIB A 15 O2 REMARK 470 10 AIB A 8 O2 REMARK 470 10 AIB A 10 O2 REMARK 470 10 AIB A 13 O2 REMARK 470 10 AIB A 15 O2 REMARK 470 11 AIB A 8 O2 REMARK 470 11 AIB A 10 O2 REMARK 470 11 AIB A 13 O2 REMARK 470 11 AIB A 15 O2 REMARK 470 12 AIB A 8 O2 REMARK 470 12 AIB A 10 O2 REMARK 470 12 AIB A 13 O2 REMARK 470 12 AIB A 15 O2 REMARK 470 13 AIB A 8 O2 REMARK 470 13 AIB A 10 O2 REMARK 470 13 AIB A 13 O2 REMARK 470 13 AIB A 15 O2 REMARK 470 14 AIB A 8 O2 REMARK 470 14 AIB A 10 O2 REMARK 470 14 AIB A 13 O2 REMARK 470 14 AIB A 15 O2 REMARK 470 15 AIB A 8 O2 REMARK 470 15 AIB A 10 O2 REMARK 470 15 AIB A 13 O2 REMARK 470 15 AIB A 15 O2 REMARK 470 16 AIB A 8 O2 REMARK 470 16 AIB A 10 O2 REMARK 470 16 AIB A 13 O2 REMARK 470 16 AIB A 15 O2 REMARK 470 17 AIB A 8 O2 REMARK 470 17 AIB A 10 O2 REMARK 470 17 AIB A 13 O2 REMARK 470 17 AIB A 15 O2 REMARK 470 18 AIB A 8 O2 REMARK 470 18 AIB A 10 O2 REMARK 470 18 AIB A 13 O2 REMARK 470 18 AIB A 15 O2 REMARK 470 19 AIB A 8 O2 REMARK 470 19 AIB A 10 O2 REMARK 470 19 AIB A 13 O2 REMARK 470 19 AIB A 15 O2 REMARK 470 20 AIB A 8 O2 REMARK 470 20 AIB A 10 O2 REMARK 470 20 AIB A 13 O2 REMARK 470 20 AIB A 15 O2 REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: CLOSE CONTACTS IN SAME ASYMMETRIC UNIT REMARK 500 REMARK 500 THE FOLLOWING ATOMS ARE IN CLOSE CONTACT. REMARK 500 REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI REMARK 500 N TRP A 2 C ACE A 1 1.34 REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 1JOH RELATED DB: PDB REMARK 900 1JOH - PEPTAIBOL SEQRES 1 A 16 TRP ILE GLN DIV ILE THR AIB LEU AIB HYP GLN AIB HYP SEQRES 2 A 16 AIB PRO PHL MODRES 1DLZ DIV A 5 VAL D-ISOVALINE MODRES 1DLZ AIB A 8 ALA ALPHA-AMINOISOBUTYRIC ACID MODRES 1DLZ AIB A 10 ALA ALPHA-AMINOISOBUTYRIC ACID MODRES 1DLZ HYP A 11 PRO 4-HYDROXYPROLINE MODRES 1DLZ AIB A 13 ALA ALPHA-AMINOISOBUTYRIC ACID MODRES 1DLZ HYP A 14 PRO 4-HYDROXYPROLINE MODRES 1DLZ AIB A 15 ALA ALPHA-AMINOISOBUTYRIC ACID MODRES 1DLZ PHL A 17 PHE L-PHENYLALANINOL HET DIV A 5 16 HET AIB A 8 13 HET AIB A 10 13 HET HYP A 11 15 HET AIB A 13 13 HET HYP A 14 15 HET AIB A 15 13 HET PHL A 17 23 HET ACE A 1 6 HETNAM DIV D-ISOVALINE HETNAM AIB ALPHA-AMINOISOBUTYRIC ACID HETNAM HYP 4-HYDROXYPROLINE HETNAM PHL L-PHENYLALANINOL HETNAM ACE ACETYL GROUP HETSYN HYP HYDROXYPROLINE FORMUL 1 DIV C5 H11 N1 O2 FORMUL 1 AIB 4(C4 H9 N1 O2) FORMUL 1 HYP 2(C5 H9 N1 O3) FORMUL 1 PHL C9 H13 N1 O1 FORMUL 2 ACE C2 H3 O1 CRYST1 1.000 1.000 1.000 90.00 90.00 90.00 P 1 1 ORIGX1 1.000000 0.000000 0.000000 0.00000 ORIGX2 0.000000 1.000000 0.000000 0.00000 ORIGX3 0.000000 0.000000 1.000000 0.00000 SCALE1 1.000000 0.000000 0.000000 0.00000 SCALE2 0.000000 1.000000 0.000000 0.00000 SCALE3 0.000000 0.000000 1.000000 0.00000 MODEL 1 ATOM 1 N TRP A 2 -2.697 10.560 0.280 1.00 0.00 N ATOM 2 CA TRP A 2 -3.381 9.384 -0.323 1.00 0.00 C ATOM 3 C TRP A 2 -2.472 8.469 -1.211 1.00 0.00 C ATOM 4 O TRP A 2 -2.721 7.262 -1.283 1.00 0.00 O ATOM 5 CB TRP A 2 -4.660 9.816 -1.096 1.00 0.00 C ATOM 6 CG TRP A 2 -5.789 10.396 -0.228 1.00 0.00 C ATOM 7 CD1 TRP A 2 -6.231 11.736 -0.224 1.00 0.00 C ATOM 8 CD2 TRP A 2 -6.558 9.751 0.728 1.00 0.00 C ATOM 9 NE1 TRP A 2 -7.258 11.946 0.716 1.00 0.00 N ATOM 10 CE2 TRP A 2 -7.439 10.703 1.300 1.00 0.00 C ATOM 11 CE3 TRP A 2 -6.560 8.407 1.185 1.00 0.00 C ATOM 12 CZ2 TRP A 2 -8.322 10.320 2.338 1.00 0.00 C ATOM 13 CZ3 TRP A 2 -7.440 8.053 2.208 1.00 0.00 C ATOM 14 CH2 TRP A 2 -8.307 8.995 2.778 1.00 0.00 C ATOM 15 H TRP A 2 -2.817 11.492 -0.115 1.00 0.00 H ATOM 16 HA TRP A 2 -3.716 8.765 0.522 1.00 0.00 H ATOM 17 1HB TRP A 2 -4.393 10.528 -1.901 1.00 0.00 H ATOM 18 2HB TRP A 2 -5.082 8.943 -1.632 1.00 0.00 H ATOM 19 HD1 TRP A 2 -5.824 12.516 -0.851 1.00 0.00 H ATOM 20 HE1 TRP A 2 -7.759 12.820 0.919 1.00 0.00 H ATOM 21 HE3 TRP A 2 -5.894 7.672 0.758 1.00 0.00 H ATOM 22 HZ2 TRP A 2 -8.993 11.039 2.789 1.00 0.00 H ATOM 23 HZ3 TRP A 2 -7.450 7.034 2.567 1.00 0.00 H ATOM 24 HH2 TRP A 2 -8.972 8.692 3.573 1.00 0.00 H ATOM 25 N ILE A 3 -1.409 9.013 -1.849 1.00 0.00 N ATOM 26 CA ILE A 3 -0.356 8.207 -2.535 1.00 0.00 C ATOM 27 C ILE A 3 0.491 7.344 -1.545 1.00 0.00 C ATOM 28 O ILE A 3 0.722 6.172 -1.839 1.00 0.00 O ATOM 29 CB ILE A 3 0.482 9.068 -3.555 1.00 0.00 C ATOM 30 CG1 ILE A 3 -0.408 9.752 -4.644 1.00 0.00 C ATOM 31 CG2 ILE A 3 1.604 8.247 -4.254 1.00 0.00 C ATOM 32 CD1 ILE A 3 0.276 10.825 -5.507 1.00 0.00 C ATOM 33 H ILE A 3 -1.296 10.021 -1.693 1.00 0.00 H ATOM 34 HA ILE A 3 -0.905 7.467 -3.126 1.00 0.00 H ATOM 35 HB ILE A 3 0.983 9.865 -2.974 1.00 0.00 H ATOM 36 1HG1 ILE A 3 -0.857 8.984 -5.301 1.00 0.00 H ATOM 37 2HG1 ILE A 3 -1.269 10.251 -4.162 1.00 0.00 H ATOM 38 1HG2 ILE A 3 1.195 7.403 -4.841 1.00 0.00 H ATOM 39 2HG2 ILE A 3 2.212 8.861 -4.942 1.00 0.00 H ATOM 40 3HG2 ILE A 3 2.319 7.819 -3.526 1.00 0.00 H ATOM 41 1HD1 ILE A 3 1.058 10.401 -6.162 1.00 0.00 H ATOM 42 2HD1 ILE A 3 -0.456 11.321 -6.169 1.00 0.00 H ATOM 43 3HD1 ILE A 3 0.745 11.611 -4.888 1.00 0.00 H ATOM 44 N GLN A 4 0.923 7.892 -0.398 1.00 0.00 N ATOM 45 CA GLN A 4 1.552 7.097 0.693 1.00 0.00 C ATOM 46 C GLN A 4 0.610 6.168 1.515 1.00 0.00 C ATOM 47 O GLN A 4 1.105 5.146 1.992 1.00 0.00 O ATOM 48 CB GLN A 4 2.402 8.012 1.612 1.00 0.00 C ATOM 49 CG GLN A 4 3.795 8.381 1.037 1.00 0.00 C ATOM 50 CD GLN A 4 4.886 7.289 1.143 1.00 0.00 C ATOM 51 OE1 GLN A 4 4.626 6.093 1.287 1.00 0.00 O ATOM 52 NE2 GLN A 4 6.147 7.684 1.066 1.00 0.00 N ATOM 53 H GLN A 4 0.607 8.855 -0.279 1.00 0.00 H ATOM 54 HA GLN A 4 2.256 6.408 0.195 1.00 0.00 H ATOM 55 1HB GLN A 4 1.831 8.934 1.839 1.00 0.00 H ATOM 56 2HB GLN A 4 2.562 7.541 2.601 1.00 0.00 H ATOM 57 1HG GLN A 4 3.692 8.681 -0.024 1.00 0.00 H ATOM 58 2HG GLN A 4 4.142 9.289 1.565 1.00 0.00 H ATOM 59 1HE2 GLN A 4 6.306 8.687 0.923 1.00 0.00 H ATOM 60 2HE2 GLN A 4 6.864 6.957 1.172 1.00 0.00 H HETATM 61 N DIV A 5 -0.712 6.447 1.653 1.00 0.00 N HETATM 62 CA DIV A 5 -1.750 5.453 2.113 1.00 0.00 C HETATM 63 CB1 DIV A 5 -1.562 5.181 3.656 1.00 0.00 C HETATM 64 CG1 DIV A 5 -2.666 4.404 4.413 1.00 0.00 C HETATM 65 CB2 DIV A 5 -3.129 6.158 1.930 1.00 0.00 C HETATM 66 C DIV A 5 -1.695 4.139 1.224 1.00 0.00 C HETATM 67 O DIV A 5 -1.498 3.043 1.758 1.00 0.00 O HETATM 68 1HN DIV A 5 -0.986 7.328 1.205 1.00 0.00 H HETATM 69 1HB1 DIV A 5 -0.612 4.636 3.816 1.00 0.00 H HETATM 70 2HB1 DIV A 5 -1.418 6.139 4.193 1.00 0.00 H HETATM 71 1HG1 DIV A 5 -2.951 3.470 3.900 1.00 0.00 H HETATM 72 2HG1 DIV A 5 -2.339 4.133 5.433 1.00 0.00 H HETATM 73 3HG1 DIV A 5 -3.583 5.010 4.525 1.00 0.00 H HETATM 74 1HB2 DIV A 5 -3.340 6.421 0.882 1.00 0.00 H HETATM 75 2HB2 DIV A 5 -3.971 5.512 2.240 1.00 0.00 H HETATM 76 3HB2 DIV A 5 -3.213 7.090 2.519 1.00 0.00 H ATOM 77 N ILE A 6 -1.783 4.246 -0.131 1.00 0.00 N ATOM 78 CA ILE A 6 -1.630 3.086 -1.051 1.00 0.00 C ATOM 79 C ILE A 6 -0.192 2.485 -1.139 1.00 0.00 C ATOM 80 O ILE A 6 -0.083 1.265 -1.050 1.00 0.00 O ATOM 81 CB ILE A 6 -2.318 3.270 -2.450 1.00 0.00 C ATOM 82 CG1 ILE A 6 -1.742 4.429 -3.315 1.00 0.00 C ATOM 83 CG2 ILE A 6 -3.861 3.362 -2.323 1.00 0.00 C ATOM 84 CD1 ILE A 6 -2.118 4.400 -4.804 1.00 0.00 C ATOM 85 H ILE A 6 -2.039 5.163 -0.506 1.00 0.00 H ATOM 86 HA ILE A 6 -2.209 2.292 -0.563 1.00 0.00 H ATOM 87 HB ILE A 6 -2.128 2.331 -3.006 1.00 0.00 H ATOM 88 1HG1 ILE A 6 -2.033 5.405 -2.889 1.00 0.00 H ATOM 89 2HG1 ILE A 6 -0.638 4.413 -3.267 1.00 0.00 H ATOM 90 1HG2 ILE A 6 -4.185 4.297 -1.828 1.00 0.00 H ATOM 91 2HG2 ILE A 6 -4.363 3.324 -3.306 1.00 0.00 H ATOM 92 3HG2 ILE A 6 -4.272 2.521 -1.732 1.00 0.00 H ATOM 93 1HD1 ILE A 6 -3.205 4.519 -4.960 1.00 0.00 H ATOM 94 2HD1 ILE A 6 -1.619 5.220 -5.351 1.00 0.00 H ATOM 95 3HD1 ILE A 6 -1.808 3.452 -5.282 1.00 0.00 H ATOM 96 N THR A 7 0.887 3.283 -1.288 1.00 0.00 N ATOM 97 CA THR A 7 2.293 2.773 -1.410 1.00 0.00 C ATOM 98 C THR A 7 2.825 2.012 -0.145 1.00 0.00 C ATOM 99 O THR A 7 3.450 0.960 -0.302 1.00 0.00 O ATOM 100 CB THR A 7 3.239 3.920 -1.888 1.00 0.00 C ATOM 101 OG1 THR A 7 2.732 4.516 -3.079 1.00 0.00 O ATOM 102 CG2 THR A 7 4.681 3.484 -2.209 1.00 0.00 C ATOM 103 H THR A 7 0.670 4.283 -1.359 1.00 0.00 H ATOM 104 HA THR A 7 2.281 2.032 -2.234 1.00 0.00 H ATOM 105 HB THR A 7 3.284 4.704 -1.107 1.00 0.00 H ATOM 106 HG1 THR A 7 3.314 5.253 -3.275 1.00 0.00 H ATOM 107 1HG2 THR A 7 5.283 4.330 -2.592 1.00 0.00 H ATOM 108 2HG2 THR A 7 5.206 3.096 -1.316 1.00 0.00 H ATOM 109 3HG2 THR A 7 4.705 2.692 -2.980 1.00 0.00 H HETATM 110 N AIB A 8 2.545 2.498 1.085 1.00 0.00 N HETATM 111 CA AIB A 8 2.682 1.716 2.362 1.00 0.00 C HETATM 112 C AIB A 8 1.862 0.362 2.397 1.00 0.00 C HETATM 113 O1 AIB A 8 2.334 -0.635 2.955 1.00 0.00 O HETATM 114 CB1 AIB A 8 2.120 2.617 3.489 1.00 0.00 C HETATM 115 CB2 AIB A 8 4.195 1.510 2.683 1.00 0.00 C HETATM 116 1HN AIB A 8 1.914 3.301 1.030 1.00 0.00 H HETATM 117 1HB1 AIB A 8 1.047 2.851 3.344 1.00 0.00 H HETATM 118 2HB1 AIB A 8 2.200 2.141 4.484 1.00 0.00 H HETATM 119 3HB1 AIB A 8 2.649 3.587 3.563 1.00 0.00 H HETATM 120 1HB2 AIB A 8 4.762 2.461 2.661 1.00 0.00 H HETATM 121 2HB2 AIB A 8 4.354 1.068 3.684 1.00 0.00 H HETATM 122 3HB2 AIB A 8 4.689 0.831 1.963 1.00 0.00 H ATOM 123 N LEU A 9 0.639 0.318 1.804 1.00 0.00 N ATOM 124 CA LEU A 9 -0.089 -0.942 1.537 1.00 0.00 C ATOM 125 C LEU A 9 0.374 -1.763 0.294 1.00 0.00 C ATOM 126 O LEU A 9 -0.048 -2.917 0.215 1.00 0.00 O ATOM 127 CB LEU A 9 -1.620 -0.662 1.476 1.00 0.00 C ATOM 128 CG LEU A 9 -2.400 -0.845 2.819 1.00 0.00 C ATOM 129 CD1 LEU A 9 -2.822 0.499 3.438 1.00 0.00 C ATOM 130 CD2 LEU A 9 -3.626 -1.771 2.662 1.00 0.00 C ATOM 131 H LEU A 9 0.361 1.138 1.260 1.00 0.00 H ATOM 132 HA LEU A 9 0.081 -1.608 2.391 1.00 0.00 H ATOM 133 1HB LEU A 9 -1.833 0.321 1.010 1.00 0.00 H ATOM 134 2HB LEU A 9 -2.062 -1.361 0.743 1.00 0.00 H ATOM 135 HG LEU A 9 -1.747 -1.343 3.561 1.00 0.00 H ATOM 136 1HD1 LEU A 9 -3.500 1.068 2.773 1.00 0.00 H ATOM 137 2HD1 LEU A 9 -3.349 0.357 4.399 1.00 0.00 H ATOM 138 3HD1 LEU A 9 -1.947 1.143 3.646 1.00 0.00 H ATOM 139 1HD2 LEU A 9 -3.330 -2.773 2.300 1.00 0.00 H ATOM 140 2HD2 LEU A 9 -4.151 -1.927 3.623 1.00 0.00 H ATOM 141 3HD2 LEU A 9 -4.364 -1.369 1.942 1.00 0.00 H HETATM 142 N AIB A 10 1.196 -1.249 -0.660 1.00 0.00 N HETATM 143 CA AIB A 10 1.683 -2.026 -1.853 1.00 0.00 C HETATM 144 C AIB A 10 2.347 -3.435 -1.497 1.00 0.00 C HETATM 145 O1 AIB A 10 1.878 -4.447 -2.035 1.00 0.00 O HETATM 146 CB1 AIB A 10 2.686 -1.147 -2.648 1.00 0.00 C HETATM 147 CB2 AIB A 10 0.461 -2.173 -2.807 1.00 0.00 C HETATM 148 1HN AIB A 10 1.510 -0.282 -0.467 1.00 0.00 H HETATM 149 1HB1 AIB A 10 3.567 -0.846 -2.058 1.00 0.00 H HETATM 150 2HB1 AIB A 10 3.081 -1.677 -3.536 1.00 0.00 H HETATM 151 3HB1 AIB A 10 2.231 -0.206 -3.015 1.00 0.00 H HETATM 152 1HB2 AIB A 10 -0.006 -1.196 -3.040 1.00 0.00 H HETATM 153 2HB2 AIB A 10 0.741 -2.646 -3.766 1.00 0.00 H HETATM 154 3HB2 AIB A 10 -0.328 -2.806 -2.360 1.00 0.00 H HETATM 155 N HPR A 11 3.359 -3.611 -0.581 1.00 0.00 N HETATM 156 CA HPR A 11 3.780 -4.956 -0.084 1.00 0.00 C HETATM 157 C HPR A 11 2.758 -5.744 0.812 1.00 0.00 C HETATM 158 O HPR A 11 2.900 -6.962 0.965 1.00 0.00 O HETATM 159 CB HPR A 11 5.075 -4.615 0.676 1.00 0.00 C HETATM 160 CG HPR A 11 4.829 -3.228 1.277 1.00 0.00 C HETATM 161 CD HPR A 11 3.913 -2.532 0.262 1.00 0.00 C HETATM 162 OD HPR A 11 6.046 -2.520 1.475 1.00 0.00 O HETATM 163 HA HPR A 11 4.037 -5.602 -0.945 1.00 0.00 H HETATM 164 1HB HPR A 11 5.334 -5.360 1.449 1.00 0.00 H HETATM 165 2HB HPR A 11 5.930 -4.581 -0.030 1.00 0.00 H HETATM 166 1HD HPR A 11 3.111 -2.008 0.803 1.00 0.00 H HETATM 167 2HD HPR A 11 4.430 -1.780 -0.351 1.00 0.00 H HETATM 168 HOD HPR A 11 6.565 -3.054 2.080 1.00 0.00 H HETATM 169 HG HPR A 11 4.300 -3.331 2.246 1.00 0.00 H ATOM 170 N GLN A 12 1.735 -5.061 1.362 1.00 0.00 N ATOM 171 CA GLN A 12 0.571 -5.665 2.029 1.00 0.00 C ATOM 172 C GLN A 12 -0.620 -6.072 1.089 1.00 0.00 C ATOM 173 O GLN A 12 -1.578 -6.621 1.629 1.00 0.00 O ATOM 174 CB GLN A 12 0.085 -4.732 3.177 1.00 0.00 C ATOM 175 CG GLN A 12 1.125 -4.378 4.272 1.00 0.00 C ATOM 176 CD GLN A 12 0.589 -3.421 5.347 1.00 0.00 C ATOM 177 OE1 GLN A 12 0.252 -2.269 5.071 1.00 0.00 O ATOM 178 NE2 GLN A 12 0.520 -3.859 6.594 1.00 0.00 N ATOM 179 H GLN A 12 1.723 -4.064 1.195 1.00 0.00 H ATOM 180 HA GLN A 12 0.952 -6.566 2.508 1.00 0.00 H ATOM 181 1HB GLN A 12 -0.337 -3.804 2.743 1.00 0.00 H ATOM 182 2HB GLN A 12 -0.769 -5.214 3.689 1.00 0.00 H ATOM 183 1HG GLN A 12 1.511 -5.315 4.720 1.00 0.00 H ATOM 184 2HG GLN A 12 2.006 -3.894 3.810 1.00 0.00 H ATOM 185 1HE2 GLN A 12 0.881 -4.803 6.769 1.00 0.00 H ATOM 186 2HE2 GLN A 12 0.169 -3.195 7.294 1.00 0.00 H HETATM 187 N AIB A 13 -0.604 -5.848 -0.259 1.00 0.00 N HETATM 188 CA AIB A 13 -1.539 -6.493 -1.247 1.00 0.00 C HETATM 189 C AIB A 13 -1.247 -8.055 -1.431 1.00 0.00 C HETATM 190 O1 AIB A 13 -2.204 -8.832 -1.330 1.00 0.00 O HETATM 191 CB1 AIB A 13 -1.331 -5.748 -2.598 1.00 0.00 C HETATM 192 CB2 AIB A 13 -3.041 -6.207 -0.914 1.00 0.00 C HETATM 193 1HN AIB A 13 0.284 -5.442 -0.608 1.00 0.00 H HETATM 194 1HB1 AIB A 13 -0.281 -5.706 -2.926 1.00 0.00 H HETATM 195 2HB1 AIB A 13 -1.897 -6.222 -3.423 1.00 0.00 H HETATM 196 3HB1 AIB A 13 -1.665 -4.692 -2.554 1.00 0.00 H HETATM 197 1HB2 AIB A 13 -3.249 -5.128 -0.765 1.00 0.00 H HETATM 198 2HB2 AIB A 13 -3.719 -6.553 -1.718 1.00 0.00 H HETATM 199 3HB2 AIB A 13 -3.386 -6.723 0.000 1.00 0.00 H HETATM 200 N HPR A 14 -0.005 -8.598 -1.688 1.00 0.00 N HETATM 201 CA HPR A 14 0.241 -10.057 -1.892 1.00 0.00 C HETATM 202 C HPR A 14 0.124 -10.991 -0.648 1.00 0.00 C HETATM 203 O HPR A 14 -0.437 -12.079 -0.787 1.00 0.00 O HETATM 204 CB HPR A 14 1.657 -10.089 -2.505 1.00 0.00 C HETATM 205 CG HPR A 14 2.340 -8.853 -1.924 1.00 0.00 C HETATM 206 CD HPR A 14 1.226 -7.812 -1.910 1.00 0.00 C HETATM 207 OD HPR A 14 3.444 -8.429 -2.714 1.00 0.00 O HETATM 208 HA HPR A 14 -0.464 -10.431 -2.660 1.00 0.00 H HETATM 209 1HB HPR A 14 2.222 -11.016 -2.286 1.00 0.00 H HETATM 210 2HB HPR A 14 1.595 -10.016 -3.606 1.00 0.00 H HETATM 211 1HD HPR A 14 1.424 -7.082 -1.116 1.00 0.00 H HETATM 212 2HD HPR A 14 1.171 -7.246 -2.855 1.00 0.00 H HETATM 213 HOD HPR A 14 3.076 -8.130 -3.548 1.00 0.00 H HETATM 214 HG HPR A 14 2.654 -9.050 -0.877 1.00 0.00 H HETATM 215 N AIB A 15 0.658 -10.597 0.538 1.00 0.00 N HETATM 216 CA AIB A 15 0.548 -11.363 1.823 1.00 0.00 C HETATM 217 C AIB A 15 -0.939 -11.827 2.178 1.00 0.00 C HETATM 218 O1 AIB A 15 -1.131 -13.029 2.396 1.00 0.00 O HETATM 219 CB1 AIB A 15 1.152 -10.454 2.931 1.00 0.00 C HETATM 220 CB2 AIB A 15 1.525 -12.577 1.736 1.00 0.00 C HETATM 221 1HN AIB A 15 1.080 -9.662 0.517 1.00 0.00 H HETATM 222 1HB1 AIB A 15 0.684 -9.459 2.993 1.00 0.00 H HETATM 223 2HB1 AIB A 15 1.064 -10.910 3.934 1.00 0.00 H HETATM 224 3HB1 AIB A 15 2.230 -10.252 2.775 1.00 0.00 H HETATM 225 1HB2 AIB A 15 2.556 -12.280 1.455 1.00 0.00 H HETATM 226 2HB2 AIB A 15 1.602 -13.118 2.699 1.00 0.00 H HETATM 227 3HB2 AIB A 15 1.197 -13.322 0.986 1.00 0.00 H ATOM 228 N PRO A 16 -2.033 -10.996 2.181 1.00 0.00 N ATOM 229 CA PRO A 16 -3.438 -11.488 2.228 1.00 0.00 C ATOM 230 C PRO A 16 -3.991 -12.091 0.892 1.00 0.00 C ATOM 231 O PRO A 16 -4.631 -13.144 0.951 1.00 0.00 O ATOM 232 CB PRO A 16 -4.212 -10.246 2.704 1.00 0.00 C ATOM 233 CG PRO A 16 -3.424 -9.054 2.169 1.00 0.00 C ATOM 234 CD PRO A 16 -1.969 -9.527 2.110 1.00 0.00 C ATOM 235 HA PRO A 16 -3.530 -12.266 3.013 1.00 0.00 H ATOM 236 1HB PRO A 16 -5.269 -10.227 2.373 1.00 0.00 H ATOM 237 2HB PRO A 16 -4.229 -10.213 3.810 1.00 0.00 H ATOM 238 1HG PRO A 16 -3.775 -8.796 1.151 1.00 0.00 H ATOM 239 2HG PRO A 16 -3.552 -8.149 2.790 1.00 0.00 H ATOM 240 1HD PRO A 16 -1.493 -9.182 1.178 1.00 0.00 H ATOM 241 2HD PRO A 16 -1.380 -9.106 2.941 1.00 0.00 H HETATM 242 N PHL A 17 -3.783 -11.438 -0.276 1.00 0.00 N HETATM 243 CA PHL A 17 -4.363 -11.887 -1.573 1.00 0.00 C HETATM 244 C PHL A 17 -3.251 -12.476 -2.472 1.00 0.00 C HETATM 245 O PHL A 17 -2.679 -13.643 -1.892 1.00 0.00 O HETATM 246 CB PHL A 17 -5.095 -10.714 -2.287 1.00 0.00 C HETATM 247 CG PHL A 17 -6.360 -10.196 -1.572 1.00 0.00 C HETATM 248 CD1 PHL A 17 -7.559 -10.915 -1.654 1.00 0.00 C HETATM 249 CD2 PHL A 17 -6.314 -9.024 -0.807 1.00 0.00 C HETATM 250 CE1 PHL A 17 -8.689 -10.479 -0.966 1.00 0.00 C HETATM 251 CE2 PHL A 17 -7.447 -8.590 -0.120 1.00 0.00 C HETATM 252 CZ PHL A 17 -8.632 -9.316 -0.198 1.00 0.00 C HETATM 253 H1 PHL A 17 -2.458 -11.731 -2.666 1.00 0.00 H HETATM 254 H2 PHL A 17 -3.662 -12.750 -3.461 1.00 0.00 H HETATM 255 HO PHL A 17 -3.393 -14.275 -1.794 1.00 0.00 H HETATM 256 HA PHL A 17 -5.110 -12.690 -1.417 1.00 0.00 H HETATM 257 1HN PHL A 17 -3.212 -10.583 -0.209 1.00 0.00 H HETATM 258 1HB PHL A 17 -4.388 -9.879 -2.469 1.00 0.00 H HETATM 259 2HB PHL A 17 -5.386 -11.036 -3.305 1.00 0.00 H HETATM 260 HD1 PHL A 17 -7.616 -11.822 -2.237 1.00 0.00 H HETATM 261 HD2 PHL A 17 -5.401 -8.455 -0.730 1.00 0.00 H HETATM 262 HE1 PHL A 17 -9.608 -11.044 -1.022 1.00 0.00 H HETATM 263 HE2 PHL A 17 -7.404 -7.692 0.478 1.00 0.00 H HETATM 264 HZ PHL A 17 -9.507 -8.984 0.341 1.00 0.00 H TER 265 PHL A 17 HETATM 266 C ACE A 1 -1.775 10.446 1.248 1.00 0.00 C HETATM 267 O ACE A 1 -1.596 9.426 1.916 1.00 0.00 O HETATM 268 CH3 ACE A 1 -0.863 11.654 1.416 1.00 0.00 C HETATM 269 1H ACE A 1 -1.434 12.588 1.570 1.00 0.00 H HETATM 270 2H ACE A 1 -0.180 11.521 2.274 1.00 0.00 H HETATM 271 3H ACE A 1 -0.229 11.784 0.516 1.00 0.00 H ENDMDL MODEL 2 ATOM 1 N TRP A 2 -2.875 10.673 0.070 1.00 0.00 N ATOM 2 CA TRP A 2 -3.455 9.344 -0.274 1.00 0.00 C ATOM 3 C TRP A 2 -2.563 8.426 -1.180 1.00 0.00 C ATOM 4 O TRP A 2 -2.782 7.211 -1.196 1.00 0.00 O ATOM 5 CB TRP A 2 -4.874 9.503 -0.892 1.00 0.00 C ATOM 6 CG TRP A 2 -5.925 10.155 0.025 1.00 0.00 C ATOM 7 CD1 TRP A 2 -6.511 9.562 1.164 1.00 0.00 C ATOM 8 CD2 TRP A 2 -6.431 11.443 -0.026 1.00 0.00 C ATOM 9 NE1 TRP A 2 -7.371 10.454 1.833 1.00 0.00 N ATOM 10 CE2 TRP A 2 -7.302 11.615 1.080 1.00 0.00 C ATOM 11 CE3 TRP A 2 -6.190 12.516 -0.924 1.00 0.00 C ATOM 12 CZ2 TRP A 2 -7.934 12.864 1.299 1.00 0.00 C ATOM 13 CZ3 TRP A 2 -6.833 13.734 -0.694 1.00 0.00 C ATOM 14 CH2 TRP A 2 -7.689 13.905 0.402 1.00 0.00 C ATOM 15 H TRP A 2 -3.233 11.529 -0.358 1.00 0.00 H ATOM 16 HA TRP A 2 -3.585 8.809 0.682 1.00 0.00 H ATOM 17 1HB TRP A 2 -4.809 10.057 -1.848 1.00 0.00 H ATOM 18 2HB TRP A 2 -5.264 8.508 -1.179 1.00 0.00 H ATOM 19 HD1 TRP A 2 -6.301 8.560 1.506 1.00 0.00 H ATOM 20 HE1 TRP A 2 -7.890 10.294 2.703 1.00 0.00 H ATOM 21 HE3 TRP A 2 -5.526 12.401 -1.766 1.00 0.00 H ATOM 22 HZ2 TRP A 2 -8.587 13.016 2.148 1.00 0.00 H ATOM 23 HZ3 TRP A 2 -6.662 14.559 -1.368 1.00 0.00 H ATOM 24 HH2 TRP A 2 -8.165 14.864 0.558 1.00 0.00 H ATOM 25 N ILE A 3 -1.540 8.966 -1.885 1.00 0.00 N ATOM 26 CA ILE A 3 -0.493 8.152 -2.573 1.00 0.00 C ATOM 27 C ILE A 3 0.347 7.269 -1.593 1.00 0.00 C ATOM 28 O ILE A 3 0.580 6.106 -1.922 1.00 0.00 O ATOM 29 CB ILE A 3 0.356 9.006 -3.592 1.00 0.00 C ATOM 30 CG1 ILE A 3 -0.526 9.653 -4.709 1.00 0.00 C ATOM 31 CG2 ILE A 3 1.512 8.198 -4.251 1.00 0.00 C ATOM 32 CD1 ILE A 3 0.162 10.687 -5.615 1.00 0.00 C ATOM 33 H ILE A 3 -1.452 9.983 -1.795 1.00 0.00 H ATOM 34 HA ILE A 3 -1.058 7.427 -3.167 1.00 0.00 H ATOM 35 HB ILE A 3 0.826 9.823 -3.017 1.00 0.00 H ATOM 36 1HG1 ILE A 3 -0.979 8.863 -5.338 1.00 0.00 H ATOM 37 2HG1 ILE A 3 -1.387 10.169 -4.246 1.00 0.00 H ATOM 38 1HG2 ILE A 3 1.138 7.331 -4.829 1.00 0.00 H ATOM 39 2HG2 ILE A 3 2.121 8.811 -4.939 1.00 0.00 H ATOM 40 3HG2 ILE A 3 2.224 7.804 -3.503 1.00 0.00 H ATOM 41 1HD1 ILE A 3 0.928 10.226 -6.263 1.00 0.00 H ATOM 42 2HD1 ILE A 3 -0.570 11.172 -6.285 1.00 0.00 H ATOM 43 3HD1 ILE A 3 0.653 11.484 -5.028 1.00 0.00 H ATOM 44 N GLN A 4 0.784 7.795 -0.436 1.00 0.00 N ATOM 45 CA GLN A 4 1.498 6.999 0.602 1.00 0.00 C ATOM 46 C GLN A 4 0.625 6.065 1.487 1.00 0.00 C ATOM 47 O GLN A 4 1.144 5.021 1.886 1.00 0.00 O ATOM 48 CB GLN A 4 2.436 7.871 1.476 1.00 0.00 C ATOM 49 CG GLN A 4 3.662 8.461 0.740 1.00 0.00 C ATOM 50 CD GLN A 4 4.658 7.428 0.167 1.00 0.00 C ATOM 51 OE1 GLN A 4 5.171 6.566 0.878 1.00 0.00 O ATOM 52 NE2 GLN A 4 4.948 7.488 -1.124 1.00 0.00 N ATOM 53 H GLN A 4 0.475 8.755 -0.296 1.00 0.00 H ATOM 54 HA GLN A 4 2.159 6.313 0.050 1.00 0.00 H ATOM 55 1HB GLN A 4 1.858 8.691 1.946 1.00 0.00 H ATOM 56 2HB GLN A 4 2.816 7.272 2.327 1.00 0.00 H ATOM 57 1HG GLN A 4 3.301 9.145 -0.051 1.00 0.00 H ATOM 58 2HG GLN A 4 4.213 9.099 1.451 1.00 0.00 H ATOM 59 1HE2 GLN A 4 4.483 8.219 -1.673 1.00 0.00 H ATOM 60 2HE2 GLN A 4 5.610 6.786 -1.474 1.00 0.00 H HETATM 61 N DIV A 5 -0.676 6.353 1.754 1.00 0.00 N HETATM 62 CA DIV A 5 -1.695 5.323 2.178 1.00 0.00 C HETATM 63 CB1 DIV A 5 -1.473 4.992 3.704 1.00 0.00 C HETATM 64 CG1 DIV A 5 -2.531 4.131 4.432 1.00 0.00 C HETATM 65 CB2 DIV A 5 -3.076 6.029 2.044 1.00 0.00 C HETATM 66 C DIV A 5 -1.655 4.048 1.230 1.00 0.00 C HETATM 67 O DIV A 5 -1.479 2.923 1.704 1.00 0.00 O HETATM 68 1HB1 DIV A 5 -0.494 4.491 3.829 1.00 0.00 H HETATM 69 2HB1 DIV A 5 -1.371 5.933 4.281 1.00 0.00 H HETATM 70 1HG1 DIV A 5 -2.752 3.191 3.896 1.00 0.00 H HETATM 71 2HG1 DIV A 5 -2.193 3.852 5.448 1.00 0.00 H HETATM 72 3HG1 DIV A 5 -3.488 4.671 4.554 1.00 0.00 H HETATM 73 1HB2 DIV A 5 -3.296 6.348 1.012 1.00 0.00 H HETATM 74 2HB2 DIV A 5 -3.914 5.363 2.329 1.00 0.00 H HETATM 75 3HB2 DIV A 5 -3.159 6.930 2.683 1.00 0.00 H HETATM 76 H DIV A 5 -0.972 7.274 1.414 1.00 0.00 H ATOM 77 N ILE A 6 -1.709 4.232 -0.118 1.00 0.00 N ATOM 78 CA ILE A 6 -1.511 3.148 -1.118 1.00 0.00 C ATOM 79 C ILE A 6 -0.066 2.546 -1.114 1.00 0.00 C ATOM 80 O ILE A 6 0.032 1.329 -0.987 1.00 0.00 O ATOM 81 CB ILE A 6 -2.040 3.564 -2.543 1.00 0.00 C ATOM 82 CG1 ILE A 6 -3.528 4.040 -2.602 1.00 0.00 C ATOM 83 CG2 ILE A 6 -1.814 2.483 -3.635 1.00 0.00 C ATOM 84 CD1 ILE A 6 -4.613 3.031 -2.181 1.00 0.00 C ATOM 85 H ILE A 6 -1.955 5.173 -0.433 1.00 0.00 H ATOM 86 HA ILE A 6 -2.164 2.335 -0.774 1.00 0.00 H ATOM 87 HB ILE A 6 -1.439 4.438 -2.860 1.00 0.00 H ATOM 88 1HG1 ILE A 6 -3.651 4.944 -1.981 1.00 0.00 H ATOM 89 2HG1 ILE A 6 -3.761 4.389 -3.628 1.00 0.00 H ATOM 90 1HG2 ILE A 6 -2.304 1.526 -3.375 1.00 0.00 H ATOM 91 2HG2 ILE A 6 -2.199 2.797 -4.622 1.00 0.00 H ATOM 92 3HG2 ILE A 6 -0.741 2.265 -3.783 1.00 0.00 H ATOM 93 1HD1 ILE A 6 -4.490 2.701 -1.135 1.00 0.00 H ATOM 94 2HD1 ILE A 6 -5.621 3.481 -2.261 1.00 0.00 H ATOM 95 3HD1 ILE A 6 -4.608 2.128 -2.820 1.00 0.00 H ATOM 96 N THR A 7 1.024 3.331 -1.255 1.00 0.00 N ATOM 97 CA THR A 7 2.425 2.807 -1.373 1.00 0.00 C ATOM 98 C THR A 7 2.931 1.994 -0.130 1.00 0.00 C ATOM 99 O THR A 7 3.504 0.920 -0.312 1.00 0.00 O ATOM 100 CB THR A 7 3.402 3.958 -1.787 1.00 0.00 C ATOM 101 OG1 THR A 7 2.916 4.636 -2.942 1.00 0.00 O ATOM 102 CG2 THR A 7 4.835 3.506 -2.127 1.00 0.00 C ATOM 103 H THR A 7 0.819 4.331 -1.345 1.00 0.00 H ATOM 104 HA THR A 7 2.417 2.101 -2.227 1.00 0.00 H ATOM 105 HB THR A 7 3.464 4.689 -0.962 1.00 0.00 H ATOM 106 HG1 THR A 7 3.519 5.366 -3.096 1.00 0.00 H ATOM 107 1HG2 THR A 7 5.462 4.362 -2.443 1.00 0.00 H ATOM 108 2HG2 THR A 7 5.343 3.042 -1.261 1.00 0.00 H ATOM 109 3HG2 THR A 7 4.850 2.771 -2.954 1.00 0.00 H HETATM 110 N AIB A 8 2.688 2.479 1.107 1.00 0.00 N HETATM 111 CA AIB A 8 2.828 1.688 2.377 1.00 0.00 C HETATM 112 C AIB A 8 1.969 0.361 2.437 1.00 0.00 C HETATM 113 O1 AIB A 8 2.412 -0.645 3.002 1.00 0.00 O HETATM 114 CB1 AIB A 8 2.318 2.606 3.517 1.00 0.00 C HETATM 115 CB2 AIB A 8 4.339 1.427 2.659 1.00 0.00 C HETATM 116 1HB1 AIB A 8 1.245 2.851 3.408 1.00 0.00 H HETATM 117 2HB1 AIB A 8 2.426 2.133 4.512 1.00 0.00 H HETATM 118 3HB1 AIB A 8 2.859 3.570 3.568 1.00 0.00 H HETATM 119 1HB2 AIB A 8 4.939 2.357 2.636 1.00 0.00 H HETATM 120 2HB2 AIB A 8 4.505 0.965 3.650 1.00 0.00 H HETATM 121 3HB2 AIB A 8 4.788 0.739 1.918 1.00 0.00 H HETATM 122 H AIB A 8 2.099 3.314 1.066 1.00 0.00 H ATOM 123 N LEU A 9 0.742 0.354 1.860 1.00 0.00 N ATOM 124 CA LEU A 9 -0.045 -0.873 1.626 1.00 0.00 C ATOM 125 C LEU A 9 0.379 -1.723 0.385 1.00 0.00 C ATOM 126 O LEU A 9 -0.060 -2.873 0.331 1.00 0.00 O ATOM 127 CB LEU A 9 -1.548 -0.490 1.515 1.00 0.00 C ATOM 128 CG LEU A 9 -2.308 -0.125 2.824 1.00 0.00 C ATOM 129 CD1 LEU A 9 -3.708 0.423 2.485 1.00 0.00 C ATOM 130 CD2 LEU A 9 -2.446 -1.310 3.804 1.00 0.00 C ATOM 131 H LEU A 9 0.492 1.175 1.304 1.00 0.00 H ATOM 132 HA LEU A 9 0.075 -1.521 2.506 1.00 0.00 H ATOM 133 1HB LEU A 9 -1.655 0.336 0.784 1.00 0.00 H ATOM 134 2HB LEU A 9 -2.094 -1.317 1.035 1.00 0.00 H ATOM 135 HG LEU A 9 -1.754 0.681 3.343 1.00 0.00 H ATOM 136 1HD1 LEU A 9 -4.332 -0.332 1.968 1.00 0.00 H ATOM 137 2HD1 LEU A 9 -4.254 0.737 3.392 1.00 0.00 H ATOM 138 3HD1 LEU A 9 -3.653 1.308 1.825 1.00 0.00 H ATOM 139 1HD2 LEU A 9 -1.467 -1.649 4.189 1.00 0.00 H ATOM 140 2HD2 LEU A 9 -3.049 -1.038 4.691 1.00 0.00 H ATOM 141 3HD2 LEU A 9 -2.935 -2.183 3.333 1.00 0.00 H HETATM 142 N AIB A 10 1.188 -1.229 -0.594 1.00 0.00 N HETATM 143 CA AIB A 10 1.651 -2.015 -1.790 1.00 0.00 C HETATM 144 C AIB A 10 2.322 -3.426 -1.448 1.00 0.00 C HETATM 145 O1 AIB A 10 1.876 -4.428 -2.024 1.00 0.00 O HETATM 146 CB1 AIB A 10 2.647 -1.151 -2.610 1.00 0.00 C HETATM 147 CB2 AIB A 10 0.410 -2.153 -2.721 1.00 0.00 C HETATM 148 1HB1 AIB A 10 3.562 -0.892 -2.053 1.00 0.00 H HETATM 149 2HB1 AIB A 10 2.987 -1.675 -3.523 1.00 0.00 H HETATM 150 3HB1 AIB A 10 2.205 -0.191 -2.941 1.00 0.00 H HETATM 151 1HB2 AIB A 10 -0.050 -1.172 -2.957 1.00 0.00 H HETATM 152 2HB2 AIB A 10 0.667 -2.633 -3.684 1.00 0.00 H HETATM 153 3HB2 AIB A 10 -0.379 -2.773 -2.258 1.00 0.00 H HETATM 154 H AIB A 10 1.520 -0.264 -0.414 1.00 0.00 H HETATM 155 N HPR A 11 3.327 -3.608 -0.526 1.00 0.00 N HETATM 156 CA HPR A 11 3.756 -4.958 -0.046 1.00 0.00 C HETATM 157 C HPR A 11 2.734 -5.773 0.824 1.00 0.00 C HETATM 158 O HPR A 11 2.881 -6.993 0.941 1.00 0.00 O HETATM 159 CB HPR A 11 5.044 -4.626 0.732 1.00 0.00 C HETATM 160 CG HPR A 11 4.796 -3.242 1.334 1.00 0.00 C HETATM 161 CD HPR A 11 3.897 -2.536 0.313 1.00 0.00 C HETATM 162 OD HPR A 11 6.010 -2.539 1.548 1.00 0.00 O HETATM 163 HA HPR A 11 4.025 -5.585 -0.917 1.00 0.00 H HETATM 164 1HB HPR A 11 5.292 -5.377 1.508 1.00 0.00 H HETATM 165 2HB HPR A 11 5.907 -4.592 0.038 1.00 0.00 H HETATM 166 1HD HPR A 11 3.109 -1.989 0.847 1.00 0.00 H HETATM 167 2HD HPR A 11 4.430 -1.802 -0.307 1.00 0.00 H HETATM 168 HOD HPR A 11 6.550 -3.108 2.103 1.00 0.00 H HETATM 169 HG HPR A 11 4.253 -3.350 2.294 1.00 0.00 H ATOM 170 N GLN A 12 1.706 -5.111 1.393 1.00 0.00 N ATOM 171 CA GLN A 12 0.526 -5.738 2.005 1.00 0.00 C ATOM 172 C GLN A 12 -0.684 -6.019 1.042 1.00 0.00 C ATOM 173 O GLN A 12 -1.714 -6.441 1.562 1.00 0.00 O ATOM 174 CB GLN A 12 0.104 -4.883 3.237 1.00 0.00 C ATOM 175 CG GLN A 12 1.076 -4.906 4.444 1.00 0.00 C ATOM 176 CD GLN A 12 0.674 -3.938 5.574 1.00 0.00 C ATOM 177 OE1 GLN A 12 -0.480 -3.872 5.997 1.00 0.00 O ATOM 178 NE2 GLN A 12 1.621 -3.176 6.099 1.00 0.00 N ATOM 179 H GLN A 12 1.679 -4.113 1.237 1.00 0.00 H ATOM 180 HA GLN A 12 0.867 -6.695 2.390 1.00 0.00 H ATOM 181 1HB GLN A 12 -0.080 -3.839 2.919 1.00 0.00 H ATOM 182 2HB GLN A 12 -0.875 -5.233 3.616 1.00 0.00 H ATOM 183 1HG GLN A 12 1.118 -5.928 4.862 1.00 0.00 H ATOM 184 2HG GLN A 12 2.106 -4.694 4.096 1.00 0.00 H ATOM 185 1HE2 GLN A 12 2.567 -3.299 5.723 1.00 0.00 H ATOM 186 2HE2 GLN A 12 1.338 -2.552 6.862 1.00 0.00 H HETATM 187 N AIB A 13 -0.607 -5.836 -0.308 1.00 0.00 N HETATM 188 CA AIB A 13 -1.528 -6.473 -1.317 1.00 0.00 C HETATM 189 C AIB A 13 -1.239 -8.040 -1.478 1.00 0.00 C HETATM 190 O1 AIB A 13 -2.199 -8.811 -1.361 1.00 0.00 O HETATM 191 CB1 AIB A 13 -1.283 -5.736 -2.666 1.00 0.00 C HETATM 192 CB2 AIB A 13 -3.041 -6.173 -1.036 1.00 0.00 C HETATM 193 1HB1 AIB A 13 -0.228 -5.713 -2.978 1.00 0.00 H HETATM 194 2HB1 AIB A 13 -1.841 -6.203 -3.501 1.00 0.00 H HETATM 195 3HB1 AIB A 13 -1.600 -4.676 -2.634 1.00 0.00 H HETATM 196 1HB2 AIB A 13 -3.240 -5.094 -0.883 1.00 0.00 H HETATM 197 2HB2 AIB A 13 -3.691 -6.504 -1.869 1.00 0.00 H HETATM 198 3HB2 AIB A 13 -3.422 -6.698 -0.143 1.00 0.00 H HETATM 199 H AIB A 13 0.309 -5.476 -0.629 1.00 0.00 H HETATM 200 N HPR A 14 0.003 -8.588 -1.734 1.00 0.00 N HETATM 201 CA HPR A 14 0.250 -10.049 -1.930 1.00 0.00 C HETATM 202 C HPR A 14 0.082 -10.969 -0.682 1.00 0.00 C HETATM 203 O HPR A 14 -0.562 -12.014 -0.808 1.00 0.00 O HETATM 204 CB HPR A 14 1.681 -10.092 -2.510 1.00 0.00 C HETATM 205 CG HPR A 14 2.355 -8.853 -1.926 1.00 0.00 C HETATM 206 CD HPR A 14 1.243 -7.810 -1.936 1.00 0.00 C HETATM 207 OD HPR A 14 3.473 -8.435 -2.698 1.00 0.00 O HETATM 208 HA HPR A 14 -0.431 -10.421 -2.718 1.00 0.00 H HETATM 209 1HB HPR A 14 2.234 -11.020 -2.269 1.00 0.00 H HETATM 210 2HB HPR A 14 1.642 -10.028 -3.614 1.00 0.00 H HETATM 211 1HD HPR A 14 1.425 -7.076 -1.141 1.00 0.00 H HETATM 212 2HD HPR A 14 1.213 -7.253 -2.886 1.00 0.00 H HETATM 213 HOD HPR A 14 3.115 -8.118 -3.531 1.00 0.00 H HETATM 214 HG HPR A 14 2.659 -9.049 -0.874 1.00 0.00 H HETATM 215 N AIB A 15 0.658 -10.598 0.491 1.00 0.00 N HETATM 216 CA AIB A 15 0.529 -11.340 1.787 1.00 0.00 C HETATM 217 C AIB A 15 -0.967 -11.757 2.152 1.00 0.00 C HETATM 218 O1 AIB A 15 -1.191 -12.951 2.388 1.00 0.00 O HETATM 219 CB1 AIB A 15 1.156 -10.430 2.883 1.00 0.00 C HETATM 220 CB2 AIB A 15 1.472 -12.580 1.715 1.00 0.00 C HETATM 221 1HB1 AIB A 15 0.707 -9.425 2.934 1.00 0.00 H HETATM 222 2HB1 AIB A 15 1.060 -10.872 3.892 1.00 0.00 H HETATM 223 3HB1 AIB A 15 2.237 -10.251 2.723 1.00 0.00 H HETATM 224 1HB2 AIB A 15 2.509 -12.316 1.429 1.00 0.00 H HETATM 225 2HB2 AIB A 15 1.536 -13.108 2.685 1.00 0.00 H HETATM 226 3HB2 AIB A 15 1.121 -13.325 0.976 1.00 0.00 H HETATM 227 H AIB A 15 1.136 -9.691 0.450 1.00 0.00 H ATOM 228 N PRO A 16 -2.037 -10.895 2.143 1.00 0.00 N ATOM 229 CA PRO A 16 -3.451 -11.351 2.236 1.00 0.00 C ATOM 230 C PRO A 16 -4.076 -11.965 0.941 1.00 0.00 C ATOM 231 O PRO A 16 -4.830 -12.933 1.079 1.00 0.00 O ATOM 232 CB PRO A 16 -4.181 -10.080 2.706 1.00 0.00 C ATOM 233 CG PRO A 16 -3.378 -8.927 2.117 1.00 0.00 C ATOM 234 CD PRO A 16 -1.931 -9.426 2.087 1.00 0.00 C ATOM 235 HA PRO A 16 -3.538 -12.108 3.041 1.00 0.00 H ATOM 236 1HB PRO A 16 -5.247 -10.043 2.409 1.00 0.00 H ATOM 237 2HB PRO A 16 -4.163 -10.022 3.812 1.00 0.00 H ATOM 238 1HG PRO A 16 -3.723 -8.715 1.086 1.00 0.00 H ATOM 239 2HG PRO A 16 -3.498 -7.995 2.697 1.00 0.00 H ATOM 240 1HD PRO A 16 -1.418 -9.076 1.178 1.00 0.00 H ATOM 241 2HD PRO A 16 -1.362 -9.033 2.947 1.00 0.00 H HETATM 242 N PHL A 17 -3.833 -11.406 -0.271 1.00 0.00 N HETATM 243 CA PHL A 17 -4.566 -11.816 -1.501 1.00 0.00 C HETATM 244 C PHL A 17 -3.566 -12.165 -2.626 1.00 0.00 C HETATM 245 O PHL A 17 -2.875 -11.022 -3.120 1.00 0.00 O HETATM 246 CB PHL A 17 -5.602 -10.736 -1.936 1.00 0.00 C HETATM 247 CG PHL A 17 -6.746 -10.473 -0.934 1.00 0.00 C HETATM 248 CD1 PHL A 17 -7.733 -11.440 -0.717 1.00 0.00 C HETATM 249 CD2 PHL A 17 -6.782 -9.281 -0.197 1.00 0.00 C HETATM 250 CE1 PHL A 17 -8.734 -11.227 0.227 1.00 0.00 C HETATM 251 CE2 PHL A 17 -7.785 -9.068 0.745 1.00 0.00 C HETATM 252 CZ PHL A 17 -8.761 -10.038 0.955 1.00 0.00 C HETATM 253 H1 PHL A 17 -4.101 -12.646 -3.465 1.00 0.00 H HETATM 254 H2 PHL A 17 -2.831 -12.915 -2.279 1.00 0.00 H HETATM 255 HO PHL A 17 -2.390 -10.663 -2.375 1.00 0.00 H HETATM 256 HA PHL A 17 -5.129 -12.753 -1.322 1.00 0.00 H HETATM 257 1HB PHL A 17 -5.073 -9.792 -2.171 1.00 0.00 H HETATM 258 2HB PHL A 17 -6.054 -11.037 -2.901 1.00 0.00 H HETATM 259 HD1 PHL A 17 -7.718 -12.372 -1.265 1.00 0.00 H HETATM 260 HD2 PHL A 17 -6.023 -8.525 -0.337 1.00 0.00 H HETATM 261 HE1 PHL A 17 -9.484 -11.985 0.402 1.00 0.00 H HETATM 262 HE2 PHL A 17 -7.802 -8.153 1.319 1.00 0.00 H HETATM 263 HZ PHL A 17 -9.539 -9.874 1.688 1.00 0.00 H HETATM 264 H PHL A 17 -3.202 -10.592 -0.276 1.00 0.00 H TER 265 PHL A 17 HETATM 266 C ACE A 1 -1.795 10.816 0.850 1.00 0.00 C HETATM 267 O ACE A 1 -1.297 9.907 1.519 1.00 0.00 O HETATM 268 CH3 ACE A 1 -1.136 12.186 0.774 1.00 0.00 C HETATM 269 H1 ACE A 1 -0.755 12.373 -0.249 1.00 0.00 H HETATM 270 H2 ACE A 1 -1.845 12.994 1.027 1.00 0.00 H HETATM 271 H3 ACE A 1 -0.272 12.251 1.459 1.00 0.00 H ENDMDL MODEL 3 ATOM 1 N TRP A 2 -2.963 10.734 -0.034 1.00 0.00 N ATOM 2 CA TRP A 2 -3.489 9.385 -0.378 1.00 0.00 C ATOM 3 C TRP A 2 -2.513 8.436 -1.155 1.00 0.00 C ATOM 4 O TRP A 2 -2.717 7.220 -1.117 1.00 0.00 O ATOM 5 CB TRP A 2 -4.898 9.486 -1.032 1.00 0.00 C ATOM 6 CG TRP A 2 -4.983 9.905 -2.511 1.00 0.00 C ATOM 7 CD1 TRP A 2 -5.038 9.017 -3.607 1.00 0.00 C ATOM 8 CD2 TRP A 2 -5.031 11.175 -3.063 1.00 0.00 C ATOM 9 NE1 TRP A 2 -5.107 9.701 -4.835 1.00 0.00 N ATOM 10 CE2 TRP A 2 -5.101 11.038 -4.473 1.00 0.00 C ATOM 11 CE3 TRP A 2 -5.018 12.463 -2.469 1.00 0.00 C ATOM 12 CZ2 TRP A 2 -5.153 12.189 -5.297 1.00 0.00 C ATOM 13 CZ3 TRP A 2 -5.067 13.582 -3.302 1.00 0.00 C ATOM 14 CH2 TRP A 2 -5.133 13.447 -4.694 1.00 0.00 C ATOM 15 H TRP A 2 -3.275 11.566 -0.538 1.00 0.00 H ATOM 16 HA TRP A 2 -3.673 8.898 0.594 1.00 0.00 H ATOM 17 1HB TRP A 2 -5.392 8.500 -0.927 1.00 0.00 H ATOM 18 2HB TRP A 2 -5.543 10.154 -0.430 1.00 0.00 H ATOM 19 HD1 TRP A 2 -5.027 7.940 -3.523 1.00 0.00 H ATOM 20 HE1 TRP A 2 -5.155 9.301 -5.778 1.00 0.00 H ATOM 21 HE3 TRP A 2 -4.973 12.582 -1.395 1.00 0.00 H ATOM 22 HZ2 TRP A 2 -5.204 12.098 -6.374 1.00 0.00 H ATOM 23 HZ3 TRP A 2 -5.054 14.569 -2.865 1.00 0.00 H ATOM 24 HH2 TRP A 2 -5.165 14.331 -5.312 1.00 0.00 H ATOM 25 N ILE A 3 -1.464 8.960 -1.835 1.00 0.00 N ATOM 26 CA ILE A 3 -0.405 8.123 -2.466 1.00 0.00 C ATOM 27 C ILE A 3 0.486 7.287 -1.496 1.00 0.00 C ATOM 28 O ILE A 3 0.867 6.180 -1.876 1.00 0.00 O ATOM 29 CB ILE A 3 0.374 8.901 -3.583 1.00 0.00 C ATOM 30 CG1 ILE A 3 1.210 8.008 -4.551 1.00 0.00 C ATOM 31 CG2 ILE A 3 1.278 10.037 -3.043 1.00 0.00 C ATOM 32 CD1 ILE A 3 0.441 6.893 -5.280 1.00 0.00 C ATOM 33 H ILE A 3 -1.393 9.983 -1.803 1.00 0.00 H ATOM 34 HA ILE A 3 -0.998 7.372 -3.003 1.00 0.00 H ATOM 35 HB ILE A 3 -0.387 9.394 -4.218 1.00 0.00 H ATOM 36 1HG1 ILE A 3 1.672 8.651 -5.325 1.00 0.00 H ATOM 37 2HG1 ILE A 3 2.065 7.553 -4.014 1.00 0.00 H ATOM 38 1HG2 ILE A 3 2.119 9.650 -2.436 1.00 0.00 H ATOM 39 2HG2 ILE A 3 1.716 10.631 -3.867 1.00 0.00 H ATOM 40 3HG2 ILE A 3 0.715 10.744 -2.407 1.00 0.00 H ATOM 41 1HD1 ILE A 3 -0.440 7.285 -5.820 1.00 0.00 H ATOM 42 2HD1 ILE A 3 1.084 6.387 -6.023 1.00 0.00 H ATOM 43 3HD1 ILE A 3 0.086 6.114 -4.580 1.00 0.00 H ATOM 44 N GLN A 4 0.792 7.774 -0.278 1.00 0.00 N ATOM 45 CA GLN A 4 1.488 6.971 0.765 1.00 0.00 C ATOM 46 C GLN A 4 0.593 5.978 1.556 1.00 0.00 C ATOM 47 O GLN A 4 1.092 4.900 1.877 1.00 0.00 O ATOM 48 CB GLN A 4 2.318 7.843 1.740 1.00 0.00 C ATOM 49 CG GLN A 4 3.504 8.601 1.099 1.00 0.00 C ATOM 50 CD GLN A 4 4.628 7.750 0.472 1.00 0.00 C ATOM 51 OE1 GLN A 4 4.896 6.615 0.865 1.00 0.00 O ATOM 52 NE2 GLN A 4 5.316 8.299 -0.516 1.00 0.00 N ATOM 53 H GLN A 4 0.371 8.682 -0.077 1.00 0.00 H ATOM 54 HA GLN A 4 2.216 6.340 0.231 1.00 0.00 H ATOM 55 1HB GLN A 4 1.654 8.566 2.252 1.00 0.00 H ATOM 56 2HB GLN A 4 2.727 7.207 2.549 1.00 0.00 H ATOM 57 1HG GLN A 4 3.090 9.294 0.345 1.00 0.00 H ATOM 58 2HG GLN A 4 3.958 9.233 1.879 1.00 0.00 H ATOM 59 1HE2 GLN A 4 5.061 9.260 -0.775 1.00 0.00 H ATOM 60 2HE2 GLN A 4 6.057 7.727 -0.937 1.00 0.00 H HETATM 61 N DIV A 5 -0.705 6.264 1.830 1.00 0.00 N HETATM 62 CA DIV A 5 -1.731 5.228 2.220 1.00 0.00 C HETATM 63 CB1 DIV A 5 -1.507 4.859 3.737 1.00 0.00 C HETATM 64 CG1 DIV A 5 -2.561 3.988 4.456 1.00 0.00 C HETATM 65 CB2 DIV A 5 -3.103 5.954 2.100 1.00 0.00 C HETATM 66 C DIV A 5 -1.699 3.980 1.234 1.00 0.00 C HETATM 67 O DIV A 5 -1.552 2.839 1.679 1.00 0.00 O HETATM 68 1HB1 DIV A 5 -0.531 4.351 3.846 1.00 0.00 H HETATM 69 2HB1 DIV A 5 -1.397 5.785 4.334 1.00 0.00 H HETATM 70 1HG1 DIV A 5 -2.801 3.067 3.901 1.00 0.00 H HETATM 71 2HG1 DIV A 5 -2.207 3.680 5.455 1.00 0.00 H HETATM 72 3HG1 DIV A 5 -3.507 4.538 4.610 1.00 0.00 H HETATM 73 1HB2 DIV A 5 -3.316 6.302 1.075 1.00 0.00 H HETATM 74 2HB2 DIV A 5 -3.948 5.294 2.371 1.00 0.00 H HETATM 75 3HB2 DIV A 5 -3.174 6.841 2.759 1.00 0.00 H HETATM 76 H DIV A 5 -0.990 7.198 1.514 1.00 0.00 H ATOM 77 N ILE A 6 -1.726 4.204 -0.108 1.00 0.00 N ATOM 78 CA ILE A 6 -1.539 3.151 -1.142 1.00 0.00 C ATOM 79 C ILE A 6 -0.094 2.546 -1.164 1.00 0.00 C ATOM 80 O ILE A 6 0.004 1.327 -1.054 1.00 0.00 O ATOM 81 CB ILE A 6 -2.078 3.615 -2.550 1.00 0.00 C ATOM 82 CG1 ILE A 6 -3.559 4.119 -2.583 1.00 0.00 C ATOM 83 CG2 ILE A 6 -1.881 2.556 -3.668 1.00 0.00 C ATOM 84 CD1 ILE A 6 -4.659 3.137 -2.135 1.00 0.00 C ATOM 85 H ILE A 6 -1.974 5.154 -0.388 1.00 0.00 H ATOM 86 HA ILE A 6 -2.194 2.330 -0.824 1.00 0.00 H ATOM 87 HB ILE A 6 -1.463 4.486 -2.855 1.00 0.00 H ATOM 88 1HG1 ILE A 6 -3.648 5.026 -1.959 1.00 0.00 H ATOM 89 2HG1 ILE A 6 -3.803 4.474 -3.603 1.00 0.00 H ATOM 90 1HG2 ILE A 6 -2.386 1.601 -3.429 1.00 0.00 H ATOM 91 2HG2 ILE A 6 -2.264 2.900 -4.645 1.00 0.00 H ATOM 92 3HG2 ILE A 6 -0.813 2.323 -3.827 1.00 0.00 H ATOM 93 1HD1 ILE A 6 -4.539 2.834 -1.079 1.00 0.00 H ATOM 94 2HD1 ILE A 6 -5.660 3.599 -2.227 1.00 0.00 H ATOM 95 3HD1 ILE A 6 -4.669 2.217 -2.746 1.00 0.00 H ATOM 96 N THR A 7 0.997 3.327 -1.322 1.00 0.00 N ATOM 97 CA THR A 7 2.394 2.791 -1.461 1.00 0.00 C ATOM 98 C THR A 7 2.932 2.009 -0.211 1.00 0.00 C ATOM 99 O THR A 7 3.526 0.943 -0.390 1.00 0.00 O ATOM 100 CB THR A 7 3.359 3.918 -1.950 1.00 0.00 C ATOM 101 OG1 THR A 7 2.865 4.495 -3.156 1.00 0.00 O ATOM 102 CG2 THR A 7 4.802 3.465 -2.255 1.00 0.00 C ATOM 103 H THR A 7 0.798 4.331 -1.402 1.00 0.00 H ATOM 104 HA THR A 7 2.359 2.055 -2.287 1.00 0.00 H ATOM 105 HB THR A 7 3.407 4.713 -1.183 1.00 0.00 H ATOM 106 HG1 THR A 7 3.502 5.168 -3.408 1.00 0.00 H ATOM 107 1HG2 THR A 7 5.411 4.302 -2.645 1.00 0.00 H ATOM 108 2HG2 THR A 7 5.317 3.088 -1.351 1.00 0.00 H ATOM 109 3HG2 THR A 7 4.827 2.660 -3.013 1.00 0.00 H HETATM 110 N AIB A 8 2.701 2.499 1.028 1.00 0.00 N HETATM 111 CA AIB A 8 2.856 1.709 2.300 1.00 0.00 C HETATM 112 C AIB A 8 1.977 0.394 2.370 1.00 0.00 C HETATM 113 O1 AIB A 8 2.416 -0.612 2.941 1.00 0.00 O HETATM 114 CB1 AIB A 8 2.387 2.622 3.461 1.00 0.00 C HETATM 115 CB2 AIB A 8 4.369 1.432 2.554 1.00 0.00 C HETATM 116 1HB1 AIB A 8 1.310 2.858 3.396 1.00 0.00 H HETATM 117 2HB1 AIB A 8 2.541 2.150 4.448 1.00 0.00 H HETATM 118 3HB1 AIB A 8 2.925 3.588 3.488 1.00 0.00 H HETATM 119 1HB2 AIB A 8 4.978 2.358 2.527 1.00 0.00 H HETATM 120 2HB2 AIB A 8 4.549 0.963 3.540 1.00 0.00 H HETATM 121 3HB2 AIB A 8 4.805 0.747 1.804 1.00 0.00 H HETATM 122 H AIB A 8 2.132 3.352 0.994 1.00 0.00 H ATOM 123 N LEU A 9 0.743 0.391 1.803 1.00 0.00 N ATOM 124 CA LEU A 9 -0.043 -0.840 1.565 1.00 0.00 C ATOM 125 C LEU A 9 0.401 -1.701 0.340 1.00 0.00 C ATOM 126 O LEU A 9 -0.038 -2.851 0.288 1.00 0.00 O ATOM 127 CB LEU A 9 -1.548 -0.471 1.408 1.00 0.00 C ATOM 128 CG LEU A 9 -2.373 -0.168 2.692 1.00 0.00 C ATOM 129 CD1 LEU A 9 -3.780 0.326 2.298 1.00 0.00 C ATOM 130 CD2 LEU A 9 -2.514 -1.381 3.638 1.00 0.00 C ATOM 131 H LEU A 9 0.493 1.206 1.237 1.00 0.00 H ATOM 132 HA LEU A 9 0.063 -1.476 2.455 1.00 0.00 H ATOM 133 1HB LEU A 9 -1.635 0.381 0.707 1.00 0.00 H ATOM 134 2HB LEU A 9 -2.067 -1.282 0.872 1.00 0.00 H ATOM 135 HG LEU A 9 -1.873 0.645 3.250 1.00 0.00 H ATOM 136 1HD1 LEU A 9 -4.354 -0.451 1.758 1.00 0.00 H ATOM 137 2HD1 LEU A 9 -4.374 0.618 3.184 1.00 0.00 H ATOM 138 3HD1 LEU A 9 -3.736 1.213 1.639 1.00 0.00 H ATOM 139 1HD2 LEU A 9 -1.543 -1.692 4.062 1.00 0.00 H ATOM 140 2HD2 LEU A 9 -3.171 -1.149 4.498 1.00 0.00 H ATOM 141 3HD2 LEU A 9 -2.948 -2.258 3.124 1.00 0.00 H HETATM 142 N AIB A 10 1.216 -1.211 -0.638 1.00 0.00 N HETATM 143 CA AIB A 10 1.673 -2.009 -1.830 1.00 0.00 C HETATM 144 C AIB A 10 2.325 -3.428 -1.487 1.00 0.00 C HETATM 145 O1 AIB A 10 1.860 -4.429 -2.050 1.00 0.00 O HETATM 146 CB1 AIB A 10 2.680 -1.164 -2.654 1.00 0.00 C HETATM 147 CB2 AIB A 10 0.430 -2.132 -2.762 1.00 0.00 C HETATM 148 1HB1 AIB A 10 3.598 -0.917 -2.097 1.00 0.00 H HETATM 149 2HB1 AIB A 10 3.010 -1.700 -3.565 1.00 0.00 H HETATM 150 3HB1 AIB A 10 2.251 -0.199 -2.989 1.00 0.00 H HETATM 151 1HB2 AIB A 10 -0.022 -1.145 -2.992 1.00 0.00 H HETATM 152 2HB2 AIB A 10 0.683 -2.607 -3.726 1.00 0.00 H HETATM 153 3HB2 AIB A 10 -0.366 -2.747 -2.303 1.00 0.00 H HETATM 154 H AIB A 10 1.528 -0.235 -0.476 1.00 0.00 H HETATM 155 N HPR A 11 3.337 -3.620 -0.571 1.00 0.00 N HETATM 156 CA HPR A 11 3.750 -4.975 -0.089 1.00 0.00 C HETATM 157 C HPR A 11 2.729 -5.772 0.797 1.00 0.00 C HETATM 158 O HPR A 11 2.863 -6.992 0.936 1.00 0.00 O HETATM 159 CB HPR A 11 5.050 -4.651 0.672 1.00 0.00 C HETATM 160 CG HPR A 11 4.820 -3.264 1.278 1.00 0.00 C HETATM 161 CD HPR A 11 3.904 -2.552 0.275 1.00 0.00 C HETATM 162 OD HPR A 11 6.046 -2.570 1.461 1.00 0.00 O HETATM 163 HA HPR A 11 4.003 -5.611 -0.960 1.00 0.00 H HETATM 164 1HB HPR A 11 5.304 -5.399 1.447 1.00 0.00 H HETATM 165 2HB HPR A 11 5.904 -4.621 -0.035 1.00 0.00 H HETATM 166 1HD HPR A 11 3.110 -2.028 0.823 1.00 0.00 H HETATM 167 2HD HPR A 11 4.418 -1.793 -0.333 1.00 0.00 H HETATM 168 HOD HPR A 11 6.603 -3.157 1.978 1.00 0.00 H HETATM 169 HG HPR A 11 4.302 -3.365 2.251 1.00 0.00 H ATOM 170 N GLN A 12 1.706 -5.093 1.350 1.00 0.00 N ATOM 171 CA GLN A 12 0.524 -5.694 1.985 1.00 0.00 C ATOM 172 C GLN A 12 -0.669 -6.049 1.037 1.00 0.00 C ATOM 173 O GLN A 12 -1.650 -6.567 1.566 1.00 0.00 O ATOM 174 CB GLN A 12 0.074 -4.770 3.153 1.00 0.00 C ATOM 175 CG GLN A 12 1.040 -4.727 4.364 1.00 0.00 C ATOM 176 CD GLN A 12 0.711 -5.712 5.500 1.00 0.00 C ATOM 177 OE1 GLN A 12 -0.406 -5.767 6.015 1.00 0.00 O ATOM 178 NE2 GLN A 12 1.691 -6.485 5.939 1.00 0.00 N ATOM 179 H GLN A 12 1.701 -4.094 1.193 1.00 0.00 H ATOM 180 HA GLN A 12 0.872 -6.620 2.435 1.00 0.00 H ATOM 181 1HB GLN A 12 -0.065 -3.742 2.772 1.00 0.00 H ATOM 182 2HB GLN A 12 -0.936 -5.046 3.514 1.00 0.00 H ATOM 183 1HG GLN A 12 2.079 -4.869 4.007 1.00 0.00 H ATOM 184 2HG GLN A 12 1.025 -3.712 4.790 1.00 0.00 H ATOM 185 1HE2 GLN A 12 2.604 -6.349 5.489 1.00 0.00 H ATOM 186 2HE2 GLN A 12 1.480 -7.095 6.738 1.00 0.00 H HETATM 187 N AIB A 13 -0.631 -5.822 -0.306 1.00 0.00 N HETATM 188 CA AIB A 13 -1.554 -6.459 -1.309 1.00 0.00 C HETATM 189 C AIB A 13 -1.264 -8.023 -1.481 1.00 0.00 C HETATM 190 O1 AIB A 13 -2.223 -8.799 -1.384 1.00 0.00 O HETATM 191 CB1 AIB A 13 -1.323 -5.712 -2.653 1.00 0.00 C HETATM 192 CB2 AIB A 13 -3.056 -6.163 -0.996 1.00 0.00 C HETATM 193 1HB1 AIB A 13 -0.272 -5.683 -2.975 1.00 0.00 H HETATM 194 2HB1 AIB A 13 -1.892 -6.171 -3.485 1.00 0.00 H HETATM 195 3HB1 AIB A 13 -1.639 -4.652 -2.605 1.00 0.00 H HETATM 196 1HB2 AIB A 13 -3.249 -5.083 -0.833 1.00 0.00 H HETATM 197 2HB2 AIB A 13 -3.722 -6.489 -1.819 1.00 0.00 H HETATM 198 3HB2 AIB A 13 -3.417 -6.691 -0.096 1.00 0.00 H HETATM 199 H AIB A 13 0.264 -5.428 -0.643 1.00 0.00 H HETATM 200 N HPR A 14 -0.018 -8.568 -1.712 1.00 0.00 N HETATM 201 CA HPR A 14 0.231 -10.030 -1.875 1.00 0.00 C HETATM 202 C HPR A 14 0.134 -10.923 -0.600 1.00 0.00 C HETATM 203 O HPR A 14 -0.369 -12.043 -0.734 1.00 0.00 O HETATM 204 CB HPR A 14 1.639 -10.074 -2.502 1.00 0.00 C HETATM 205 CG HPR A 14 2.328 -8.833 -1.944 1.00 0.00 C HETATM 206 CD HPR A 14 1.217 -7.789 -1.935 1.00 0.00 C HETATM 207 OD HPR A 14 3.428 -8.424 -2.747 1.00 0.00 O HETATM 208 HA HPR A 14 -0.480 -10.433 -2.622 1.00 0.00 H HETATM 209 1HB HPR A 14 2.200 -11.002 -2.282 1.00 0.00 H HETATM 210 2HB HPR A 14 1.564 -10.014 -3.605 1.00 0.00 H HETATM 211 1HD HPR A 14 1.412 -7.057 -1.143 1.00 0.00 H HETATM 212 2HD HPR A 14 1.173 -7.225 -2.881 1.00 0.00 H HETATM 213 HOD HPR A 14 3.060 -8.198 -3.605 1.00 0.00 H HETATM 214 HG HPR A 14 2.652 -9.023 -0.896 1.00 0.00 H HETATM 215 N AIB A 15 0.614 -10.480 0.598 1.00 0.00 N HETATM 216 CA AIB A 15 0.520 -11.261 1.876 1.00 0.00 C HETATM 217 C AIB A 15 -0.963 -11.745 2.222 1.00 0.00 C HETATM 218 O1 AIB A 15 -1.136 -12.943 2.474 1.00 0.00 O HETATM 219 CB1 AIB A 15 1.106 -10.369 3.008 1.00 0.00 C HETATM 220 CB2 AIB A 15 1.512 -12.465 1.779 1.00 0.00 C HETATM 221 1HB1 AIB A 15 0.614 -9.389 3.106 1.00 0.00 H HETATM 222 2HB1 AIB A 15 1.032 -10.857 3.997 1.00 0.00 H HETATM 223 3HB1 AIB A 15 2.179 -10.136 2.856 1.00 0.00 H HETATM 224 1HB2 AIB A 15 2.534 -12.154 1.484 1.00 0.00 H HETATM 225 2HB2 AIB A 15 1.605 -13.007 2.739 1.00 0.00 H HETATM 226 3HB2 AIB A 15 1.184 -13.212 1.032 1.00 0.00 H HETATM 227 H AIB A 15 0.900 -9.488 0.622 1.00 0.00 H ATOM 228 N PRO A 16 -2.070 -10.930 2.188 1.00 0.00 N ATOM 229 CA PRO A 16 -3.468 -11.440 2.223 1.00 0.00 C ATOM 230 C PRO A 16 -4.012 -12.047 0.885 1.00 0.00 C ATOM 231 O PRO A 16 -4.679 -13.084 0.951 1.00 0.00 O ATOM 232 CB PRO A 16 -4.258 -10.201 2.689 1.00 0.00 C ATOM 233 CG PRO A 16 -3.483 -9.002 2.148 1.00 0.00 C ATOM 234 CD PRO A 16 -2.025 -9.461 2.079 1.00 0.00 C ATOM 235 HA PRO A 16 -3.558 -12.216 3.011 1.00 0.00 H ATOM 236 1HB PRO A 16 -5.314 -10.200 2.355 1.00 0.00 H ATOM 237 2HB PRO A 16 -4.280 -10.159 3.794 1.00 0.00 H ATOM 238 1HG PRO A 16 -3.844 -8.749 1.133 1.00 0.00 H ATOM 239 2HG PRO A 16 -3.612 -8.099 2.772 1.00 0.00 H ATOM 240 1HD PRO A 16 -1.573 -9.138 1.129 1.00 0.00 H ATOM 241 2HD PRO A 16 -1.421 -9.013 2.884 1.00 0.00 H HETATM 242 N PHL A 17 -3.776 -11.417 -0.292 1.00 0.00 N HETATM 243 CA PHL A 17 -4.373 -11.862 -1.581 1.00 0.00 C HETATM 244 C PHL A 17 -3.261 -12.496 -2.447 1.00 0.00 C HETATM 245 O PHL A 17 -3.802 -13.085 -3.623 1.00 0.00 O HETATM 246 CB PHL A 17 -5.085 -10.679 -2.303 1.00 0.00 C HETATM 247 CG PHL A 17 -6.315 -10.099 -1.574 1.00 0.00 C HETATM 248 CD1 PHL A 17 -7.536 -10.786 -1.597 1.00 0.00 C HETATM 249 CD2 PHL A 17 -6.223 -8.894 -0.869 1.00 0.00 C HETATM 250 CE1 PHL A 17 -8.639 -10.281 -0.913 1.00 0.00 C HETATM 251 CE2 PHL A 17 -7.326 -8.391 -0.185 1.00 0.00 C HETATM 252 CZ PHL A 17 -8.535 -9.084 -0.207 1.00 0.00 C HETATM 253 H1 PHL A 17 -2.728 -13.282 -1.881 1.00 0.00 H HETATM 254 H2 PHL A 17 -2.495 -11.748 -2.729 1.00 0.00 H HETATM 255 HO PHL A 17 -4.222 -12.372 -4.110 1.00 0.00 H HETATM 256 HA PHL A 17 -5.135 -12.649 -1.412 1.00 0.00 H HETATM 257 1HB PHL A 17 -4.353 -9.876 -2.524 1.00 0.00 H HETATM 258 2HB PHL A 17 -5.415 -11.016 -3.304 1.00 0.00 H HETATM 259 HD1 PHL A 17 -7.631 -11.718 -2.135 1.00 0.00 H HETATM 260 HD2 PHL A 17 -5.291 -8.346 -0.840 1.00 0.00 H HETATM 261 HE1 PHL A 17 -9.576 -10.820 -0.926 1.00 0.00 H HETATM 262 HE2 PHL A 17 -7.249 -7.464 0.364 1.00 0.00 H HETATM 263 HZ PHL A 17 -9.392 -8.695 0.325 1.00 0.00 H HETATM 264 H PHL A 17 -3.185 -10.575 -0.242 1.00 0.00 H TER 265 PHL A 17 HETATM 266 C ACE A 1 -1.935 10.913 0.811 1.00 0.00 C HETATM 267 O ACE A 1 -1.481 10.029 1.543 1.00 0.00 O HETATM 268 CH3 ACE A 1 -1.272 12.280 0.746 1.00 0.00 C HETATM 269 H1 ACE A 1 -0.838 12.452 -0.259 1.00 0.00 H HETATM 270 H2 ACE A 1 -1.988 13.092 0.957 1.00 0.00 H HETATM 271 H3 ACE A 1 -0.444 12.348 1.472 1.00 0.00 H ENDMDL MODEL 4 ATOM 1 N TRP A 2 -2.815 10.775 0.190 1.00 0.00 N ATOM 2 CA TRP A 2 -3.350 9.441 -0.202 1.00 0.00 C ATOM 3 C TRP A 2 -2.368 8.532 -1.024 1.00 0.00 C ATOM 4 O TRP A 2 -2.511 7.309 -0.982 1.00 0.00 O ATOM 5 CB TRP A 2 -4.768 9.564 -0.836 1.00 0.00 C ATOM 6 CG TRP A 2 -4.853 9.870 -2.341 1.00 0.00 C ATOM 7 CD1 TRP A 2 -4.878 11.142 -2.949 1.00 0.00 C ATOM 8 CD2 TRP A 2 -4.893 8.959 -3.385 1.00 0.00 C ATOM 9 NE1 TRP A 2 -4.924 11.048 -4.355 1.00 0.00 N ATOM 10 CE2 TRP A 2 -4.926 9.683 -4.601 1.00 0.00 C ATOM 11 CE3 TRP A 2 -4.902 7.541 -3.392 1.00 0.00 C ATOM 12 CZ2 TRP A 2 -4.962 8.990 -5.838 1.00 0.00 C ATOM 13 CZ3 TRP A 2 -4.959 6.881 -4.618 1.00 0.00 C ATOM 14 CH2 TRP A 2 -4.978 7.593 -5.824 1.00 0.00 C ATOM 15 H TRP A 2 -3.121 11.625 -0.287 1.00 0.00 H ATOM 16 HA TRP A 2 -3.522 8.917 0.754 1.00 0.00 H ATOM 17 1HB TRP A 2 -5.301 8.611 -0.655 1.00 0.00 H ATOM 18 2HB TRP A 2 -5.376 10.301 -0.276 1.00 0.00 H ATOM 19 HD1 TRP A 2 -4.868 12.078 -2.409 1.00 0.00 H ATOM 20 HE1 TRP A 2 -4.993 11.810 -5.037 1.00 0.00 H ATOM 21 HE3 TRP A 2 -4.869 6.975 -2.470 1.00 0.00 H ATOM 22 HZ2 TRP A 2 -4.982 9.525 -6.775 1.00 0.00 H ATOM 23 HZ3 TRP A 2 -4.996 5.804 -4.635 1.00 0.00 H ATOM 24 HH2 TRP A 2 -5.008 7.050 -6.756 1.00 0.00 H ATOM 25 N ILE A 3 -1.390 9.109 -1.757 1.00 0.00 N ATOM 26 CA ILE A 3 -0.290 8.340 -2.418 1.00 0.00 C ATOM 27 C ILE A 3 0.651 7.544 -1.450 1.00 0.00 C ATOM 28 O ILE A 3 1.079 6.442 -1.799 1.00 0.00 O ATOM 29 CB ILE A 3 0.453 9.168 -3.528 1.00 0.00 C ATOM 30 CG1 ILE A 3 1.249 10.421 -3.044 1.00 0.00 C ATOM 31 CG2 ILE A 3 -0.512 9.556 -4.681 1.00 0.00 C ATOM 32 CD1 ILE A 3 2.684 10.156 -2.560 1.00 0.00 C ATOM 33 H ILE A 3 -1.378 10.134 -1.719 1.00 0.00 H ATOM 34 HA ILE A 3 -0.810 7.549 -2.971 1.00 0.00 H ATOM 35 HB ILE A 3 1.179 8.482 -4.006 1.00 0.00 H ATOM 36 1HG1 ILE A 3 1.335 11.159 -3.865 1.00 0.00 H ATOM 37 2HG1 ILE A 3 0.685 10.952 -2.254 1.00 0.00 H ATOM 38 1HG2 ILE A 3 -1.284 10.280 -4.356 1.00 0.00 H ATOM 39 2HG2 ILE A 3 0.023 10.014 -5.533 1.00 0.00 H ATOM 40 3HG2 ILE A 3 -1.048 8.674 -5.080 1.00 0.00 H ATOM 41 1HD1 ILE A 3 3.322 9.763 -3.373 1.00 0.00 H ATOM 42 2HD1 ILE A 3 3.153 11.087 -2.194 1.00 0.00 H ATOM 43 3HD1 ILE A 3 2.731 9.433 -1.730 1.00 0.00 H ATOM 44 N GLN A 4 0.925 8.072 -0.242 1.00 0.00 N ATOM 45 CA GLN A 4 1.603 7.329 0.857 1.00 0.00 C ATOM 46 C GLN A 4 0.751 6.217 1.531 1.00 0.00 C ATOM 47 O GLN A 4 1.302 5.147 1.800 1.00 0.00 O ATOM 48 CB GLN A 4 2.142 8.336 1.907 1.00 0.00 C ATOM 49 CG GLN A 4 3.418 9.093 1.462 1.00 0.00 C ATOM 50 CD GLN A 4 3.327 10.619 1.627 1.00 0.00 C ATOM 51 OE1 GLN A 4 2.621 11.301 0.884 1.00 0.00 O ATOM 52 NE2 GLN A 4 4.035 11.186 2.590 1.00 0.00 N ATOM 53 H GLN A 4 0.502 8.990 -0.089 1.00 0.00 H ATOM 54 HA GLN A 4 2.475 6.816 0.416 1.00 0.00 H ATOM 55 1HB GLN A 4 1.331 9.031 2.204 1.00 0.00 H ATOM 56 2HB GLN A 4 2.391 7.806 2.847 1.00 0.00 H ATOM 57 1HG GLN A 4 4.288 8.670 2.004 1.00 0.00 H ATOM 58 2HG GLN A 4 3.645 8.880 0.400 1.00 0.00 H ATOM 59 1HE2 GLN A 4 4.602 10.559 3.172 1.00 0.00 H ATOM 60 2HE2 GLN A 4 3.969 12.207 2.667 1.00 0.00 H HETATM 61 N DIV A 5 -0.565 6.441 1.786 1.00 0.00 N HETATM 62 CA DIV A 5 -1.543 5.384 2.223 1.00 0.00 C HETATM 63 CB1 DIV A 5 -1.261 5.070 3.742 1.00 0.00 C HETATM 64 CG1 DIV A 5 -2.251 4.169 4.511 1.00 0.00 C HETATM 65 CB2 DIV A 5 -2.946 6.053 2.131 1.00 0.00 C HETATM 66 C DIV A 5 -1.500 4.119 1.263 1.00 0.00 C HETATM 67 O DIV A 5 -1.285 2.996 1.726 1.00 0.00 O HETATM 68 1HB1 DIV A 5 -0.258 4.620 3.842 1.00 0.00 H HETATM 69 2HB1 DIV A 5 -1.190 6.016 4.312 1.00 0.00 H HETATM 70 1HG1 DIV A 5 -2.412 3.201 4.009 1.00 0.00 H HETATM 71 2HG1 DIV A 5 -1.879 3.947 5.529 1.00 0.00 H HETATM 72 3HG1 DIV A 5 -3.241 4.644 4.629 1.00 0.00 H HETATM 73 1HB2 DIV A 5 -3.212 6.355 1.105 1.00 0.00 H HETATM 74 2HB2 DIV A 5 -3.754 5.367 2.447 1.00 0.00 H HETATM 75 3HB2 DIV A 5 -3.032 6.959 2.759 1.00 0.00 H HETATM 76 H DIV A 5 -0.884 7.362 1.472 1.00 0.00 H ATOM 77 N ILE A 6 -1.629 4.308 -0.077 1.00 0.00 N ATOM 78 CA ILE A 6 -1.537 3.213 -1.082 1.00 0.00 C ATOM 79 C ILE A 6 -0.126 2.560 -1.223 1.00 0.00 C ATOM 80 O ILE A 6 -0.071 1.333 -1.234 1.00 0.00 O ATOM 81 CB ILE A 6 -2.212 3.520 -2.465 1.00 0.00 C ATOM 82 CG1 ILE A 6 -1.591 4.706 -3.257 1.00 0.00 C ATOM 83 CG2 ILE A 6 -3.748 3.666 -2.332 1.00 0.00 C ATOM 84 CD1 ILE A 6 -1.919 4.750 -4.758 1.00 0.00 C ATOM 85 H ILE A 6 -1.889 5.250 -0.366 1.00 0.00 H ATOM 86 HA ILE A 6 -2.164 2.422 -0.648 1.00 0.00 H ATOM 87 HB ILE A 6 -2.057 2.614 -3.084 1.00 0.00 H ATOM 88 1HG1 ILE A 6 -1.900 5.658 -2.793 1.00 0.00 H ATOM 89 2HG1 ILE A 6 -0.490 4.688 -3.172 1.00 0.00 H ATOM 90 1HG2 ILE A 6 -4.033 4.577 -1.775 1.00 0.00 H ATOM 91 2HG2 ILE A 6 -4.246 3.715 -3.317 1.00 0.00 H ATOM 92 3HG2 ILE A 6 -4.193 2.805 -1.801 1.00 0.00 H ATOM 93 1HD1 ILE A 6 -3.002 4.835 -4.943 1.00 0.00 H ATOM 94 2HD1 ILE A 6 -1.439 5.619 -5.247 1.00 0.00 H ATOM 95 3HD1 ILE A 6 -1.570 3.839 -5.279 1.00 0.00 H ATOM 96 N THR A 7 0.991 3.321 -1.300 1.00 0.00 N ATOM 97 CA THR A 7 2.376 2.748 -1.381 1.00 0.00 C ATOM 98 C THR A 7 2.779 1.854 -0.156 1.00 0.00 C ATOM 99 O THR A 7 3.326 0.770 -0.362 1.00 0.00 O ATOM 100 CB THR A 7 3.410 3.879 -1.682 1.00 0.00 C ATOM 101 OG1 THR A 7 3.035 4.588 -2.862 1.00 0.00 O ATOM 102 CG2 THR A 7 4.852 3.391 -1.920 1.00 0.00 C ATOM 103 H THR A 7 0.824 4.333 -1.275 1.00 0.00 H ATOM 104 HA THR A 7 2.389 2.082 -2.266 1.00 0.00 H ATOM 105 HB THR A 7 3.420 4.598 -0.841 1.00 0.00 H ATOM 106 HG1 THR A 7 3.705 5.264 -2.987 1.00 0.00 H ATOM 107 1HG2 THR A 7 5.526 4.227 -2.188 1.00 0.00 H ATOM 108 2HG2 THR A 7 5.282 2.909 -1.022 1.00 0.00 H ATOM 109 3HG2 THR A 7 4.899 2.655 -2.743 1.00 0.00 H HETATM 110 N AIB A 8 2.475 2.284 1.089 1.00 0.00 N HETATM 111 CA AIB A 8 2.498 1.425 2.322 1.00 0.00 C HETATM 112 C AIB A 8 1.574 0.144 2.265 1.00 0.00 C HETATM 113 O1 AIB A 8 1.913 -0.899 2.835 1.00 0.00 O HETATM 114 CB1 AIB A 8 1.966 2.334 3.460 1.00 0.00 C HETATM 115 CB2 AIB A 8 3.971 1.067 2.682 1.00 0.00 C HETATM 116 1HB1 AIB A 8 0.926 2.664 3.278 1.00 0.00 H HETATM 117 2HB1 AIB A 8 1.964 1.819 4.441 1.00 0.00 H HETATM 118 3HB1 AIB A 8 2.571 3.253 3.590 1.00 0.00 H HETATM 119 1HB2 AIB A 8 4.626 1.959 2.730 1.00 0.00 H HETATM 120 2HB2 AIB A 8 4.049 0.562 3.664 1.00 0.00 H HETATM 121 3HB2 AIB A 8 4.425 0.378 1.945 1.00 0.00 H HETATM 122 H AIB A 8 1.876 3.110 1.044 1.00 0.00 H ATOM 123 N LEU A 9 0.406 0.212 1.581 1.00 0.00 N ATOM 124 CA LEU A 9 -0.419 -0.968 1.233 1.00 0.00 C ATOM 125 C LEU A 9 0.087 -1.826 0.034 1.00 0.00 C ATOM 126 O LEU A 9 -0.342 -2.979 -0.036 1.00 0.00 O ATOM 127 CB LEU A 9 -1.884 -0.493 1.020 1.00 0.00 C ATOM 128 CG LEU A 9 -2.852 -0.510 2.234 1.00 0.00 C ATOM 129 CD1 LEU A 9 -3.417 -1.920 2.508 1.00 0.00 C ATOM 130 CD2 LEU A 9 -2.312 0.111 3.535 1.00 0.00 C ATOM 131 H LEU A 9 0.192 1.091 1.102 1.00 0.00 H ATOM 132 HA LEU A 9 -0.437 -1.644 2.097 1.00 0.00 H ATOM 133 1HB LEU A 9 -1.901 0.518 0.571 1.00 0.00 H ATOM 134 2HB LEU A 9 -2.352 -1.111 0.234 1.00 0.00 H ATOM 135 HG LEU A 9 -3.695 0.128 1.921 1.00 0.00 H ATOM 136 1HD1 LEU A 9 -2.633 -2.626 2.841 1.00 0.00 H ATOM 137 2HD1 LEU A 9 -4.197 -1.902 3.290 1.00 0.00 H ATOM 138 3HD1 LEU A 9 -3.884 -2.359 1.607 1.00 0.00 H ATOM 139 1HD2 LEU A 9 -1.892 1.115 3.362 1.00 0.00 H ATOM 140 2HD2 LEU A 9 -3.109 0.222 4.293 1.00 0.00 H ATOM 141 3HD2 LEU A 9 -1.509 -0.498 3.989 1.00 0.00 H HETATM 142 N AIB A 10 0.955 -1.326 -0.892 1.00 0.00 N HETATM 143 CA AIB A 10 1.535 -2.133 -2.021 1.00 0.00 C HETATM 144 C AIB A 10 2.236 -3.496 -1.568 1.00 0.00 C HETATM 145 O1 AIB A 10 1.875 -4.544 -2.120 1.00 0.00 O HETATM 146 CB1 AIB A 10 2.552 -1.250 -2.795 1.00 0.00 C HETATM 147 CB2 AIB A 10 0.382 -2.369 -3.041 1.00 0.00 C HETATM 148 1HB1 AIB A 10 3.427 -0.961 -2.193 1.00 0.00 H HETATM 149 2HB1 AIB A 10 2.957 -1.773 -3.682 1.00 0.00 H HETATM 150 3HB1 AIB A 10 2.105 -0.303 -3.158 1.00 0.00 H HETATM 151 1HB2 AIB A 10 -0.112 -1.426 -3.347 1.00 0.00 H HETATM 152 2HB2 AIB A 10 0.743 -2.861 -3.964 1.00 0.00 H HETATM 153 3HB2 AIB A 10 -0.406 -3.023 -2.623 1.00 0.00 H HETATM 154 H AIB A 10 1.341 -0.397 -0.636 1.00 0.00 H HETATM 155 N HYP A 11 3.173 -3.592 -0.562 1.00 0.00 N HETATM 156 CA HPR A 11 3.628 -4.894 0.011 1.00 0.00 C HETATM 157 C HPR A 11 2.587 -5.721 0.837 1.00 0.00 C HETATM 158 O HPR A 11 2.813 -6.916 1.047 1.00 0.00 O HETATM 159 CB HPR A 11 4.826 -4.472 0.882 1.00 0.00 C HETATM 160 CG HPR A 11 4.485 -3.063 1.367 1.00 0.00 C HETATM 161 CD HPR A 11 3.690 -2.450 0.211 1.00 0.00 C HETATM 162 OD HPR A 11 5.654 -2.313 1.670 1.00 0.00 O HETATM 163 HA HPR A 11 3.997 -5.541 -0.807 1.00 0.00 H HETATM 164 1HB HPR A 11 5.010 -5.161 1.728 1.00 0.00 H HETATM 165 2HB HPR A 11 5.755 -4.459 0.278 1.00 0.00 H HETATM 166 1HD HPR A 11 2.882 -1.826 0.615 1.00 0.00 H HETATM 167 2HD HPR A 11 4.297 -1.812 -0.442 1.00 0.00 H HETATM 168 HOD HPR A 11 6.119 -2.811 2.347 1.00 0.00 H HETATM 169 HG HPR A 11 3.841 -3.133 2.265 1.00 0.00 H ATOM 170 N GLN A 12 1.470 -5.108 1.280 1.00 0.00 N ATOM 171 CA GLN A 12 0.296 -5.811 1.817 1.00 0.00 C ATOM 172 C GLN A 12 -0.877 -6.044 0.800 1.00 0.00 C ATOM 173 O GLN A 12 -1.970 -6.375 1.260 1.00 0.00 O ATOM 174 CB GLN A 12 -0.163 -5.142 3.148 1.00 0.00 C ATOM 175 CG GLN A 12 0.900 -5.087 4.280 1.00 0.00 C ATOM 176 CD GLN A 12 0.306 -5.140 5.696 1.00 0.00 C ATOM 177 OE1 GLN A 12 0.082 -6.217 6.249 1.00 0.00 O ATOM 178 NE2 GLN A 12 0.033 -4.001 6.312 1.00 0.00 N ATOM 179 H GLN A 12 1.367 -4.133 1.042 1.00 0.00 H ATOM 180 HA GLN A 12 0.641 -6.801 2.088 1.00 0.00 H ATOM 181 1HB GLN A 12 -0.548 -4.122 2.951 1.00 0.00 H ATOM 182 2HB GLN A 12 -1.040 -5.706 3.522 1.00 0.00 H ATOM 183 1HG GLN A 12 1.599 -5.940 4.180 1.00 0.00 H ATOM 184 2HG GLN A 12 1.543 -4.193 4.147 1.00 0.00 H ATOM 185 1HE2 GLN A 12 0.260 -3.136 5.811 1.00 0.00 H ATOM 186 2HE2 GLN A 12 -0.381 -4.080 7.247 1.00 0.00 H HETATM 187 N AIB A 13 -0.681 -5.961 -0.547 1.00 0.00 N HETATM 188 CA AIB A 13 -1.489 -6.701 -1.581 1.00 0.00 C HETATM 189 C AIB A 13 -1.111 -8.254 -1.585 1.00 0.00 C HETATM 190 O1 AIB A 13 -2.030 -9.069 -1.436 1.00 0.00 O HETATM 191 CB1 AIB A 13 -1.167 -6.049 -2.957 1.00 0.00 C HETATM 192 CB2 AIB A 13 -3.030 -6.460 -1.444 1.00 0.00 C HETATM 193 1HB1 AIB A 13 -0.088 -5.967 -3.171 1.00 0.00 H HETATM 194 2HB1 AIB A 13 -1.606 -6.618 -3.802 1.00 0.00 H HETATM 195 3HB1 AIB A 13 -1.552 -5.015 -3.039 1.00 0.00 H HETATM 196 1HB2 AIB A 13 -3.285 -5.386 -1.380 1.00 0.00 H HETATM 197 2HB2 AIB A 13 -3.599 -6.880 -2.297 1.00 0.00 H HETATM 198 3HB2 AIB A 13 -3.457 -6.942 -0.548 1.00 0.00 H HETATM 199 H AIB A 13 0.254 -5.603 -0.811 1.00 0.00 H HETATM 200 N HPR A 14 0.173 -8.748 -1.725 1.00 0.00 N HETATM 201 CA HPR A 14 0.501 -10.204 -1.758 1.00 0.00 C HETATM 202 C HPR A 14 0.328 -10.997 -0.426 1.00 0.00 C HETATM 203 O HPR A 14 -0.239 -12.092 -0.472 1.00 0.00 O HETATM 204 CB HPR A 14 1.958 -10.224 -2.266 1.00 0.00 C HETATM 205 CG HPR A 14 2.540 -8.899 -1.771 1.00 0.00 C HETATM 206 CD HPR A 14 1.382 -7.922 -1.930 1.00 0.00 C HETATM 207 OD HPR A 14 3.672 -8.496 -2.533 1.00 0.00 O HETATM 208 HA HPR A 14 -0.129 -10.699 -2.524 1.00 0.00 H HETATM 209 1HB HPR A 14 2.545 -11.093 -1.914 1.00 0.00 H HETATM 210 2HB HPR A 14 1.974 -10.267 -3.373 1.00 0.00 H HETATM 211 1HD HPR A 14 1.484 -7.114 -1.199 1.00 0.00 H HETATM 212 2HD HPR A 14 1.374 -7.452 -2.925 1.00 0.00 H HETATM 213 HOD HPR A 14 3.343 -8.303 -3.413 1.00 0.00 H HETATM 214 HG HPR A 14 2.800 -8.982 -0.695 1.00 0.00 H HETATM 215 N AIB A 15 0.816 -10.479 0.733 1.00 0.00 N HETATM 216 CA AIB A 15 0.701 -11.128 2.081 1.00 0.00 C HETATM 217 C AIB A 15 -0.775 -11.613 2.445 1.00 0.00 C HETATM 218 O1 AIB A 15 -0.923 -12.794 2.783 1.00 0.00 O HETATM 219 CB1 AIB A 15 1.236 -10.109 3.127 1.00 0.00 C HETATM 220 CB2 AIB A 15 1.722 -12.308 2.115 1.00 0.00 C HETATM 221 1HB1 AIB A 15 0.722 -9.135 3.096 1.00 0.00 H HETATM 222 2HB1 AIB A 15 1.134 -10.488 4.161 1.00 0.00 H HETATM 223 3HB1 AIB A 15 2.308 -9.873 2.983 1.00 0.00 H HETATM 224 1HB2 AIB A 15 2.751 -11.994 1.852 1.00 0.00 H HETATM 225 2HB2 AIB A 15 1.781 -12.778 3.116 1.00 0.00 H HETATM 226 3HB2 AIB A 15 1.445 -13.114 1.410 1.00 0.00 H HETATM 227 H AIB A 15 1.257 -9.558 0.621 1.00 0.00 H ATOM 228 N PRO A 16 -1.899 -10.832 2.333 1.00 0.00 N ATOM 229 CA PRO A 16 -3.280 -11.386 2.388 1.00 0.00 C ATOM 230 C PRO A 16 -3.771 -12.128 1.102 1.00 0.00 C ATOM 231 O PRO A 16 -4.395 -13.184 1.242 1.00 0.00 O ATOM 232 CB PRO A 16 -4.126 -10.148 2.734 1.00 0.00 C ATOM 233 CG PRO A 16 -3.372 -8.967 2.121 1.00 0.00 C ATOM 234 CD PRO A 16 -1.893 -9.367 2.149 1.00 0.00 C ATOM 235 HA PRO A 16 -3.359 -12.094 3.238 1.00 0.00 H ATOM 236 1HB PRO A 16 -5.171 -10.205 2.373 1.00 0.00 H ATOM 237 2HB PRO A 16 -4.181 -10.020 3.833 1.00 0.00 H ATOM 238 1HG PRO A 16 -3.701 -8.815 1.076 1.00 0.00 H ATOM 239 2HG PRO A 16 -3.565 -8.022 2.662 1.00 0.00 H ATOM 240 1HD PRO A 16 -1.396 -9.068 1.212 1.00 0.00 H ATOM 241 2HD PRO A 16 -1.363 -8.861 2.971 1.00 0.00 H HETATM 242 N PHL A 17 -3.535 -11.588 -0.119 1.00 0.00 N HETATM 243 CA PHL A 17 -4.106 -12.142 -1.377 1.00 0.00 C HETATM 244 C PHL A 17 -2.959 -12.749 -2.214 1.00 0.00 C HETATM 245 O PHL A 17 -3.462 -13.431 -3.359 1.00 0.00 O HETATM 246 CB PHL A 17 -4.889 -11.046 -2.164 1.00 0.00 C HETATM 247 CG PHL A 17 -6.111 -10.447 -1.439 1.00 0.00 C HETATM 248 CD1 PHL A 17 -7.287 -11.193 -1.296 1.00 0.00 C HETATM 249 CD2 PHL A 17 -6.045 -9.162 -0.890 1.00 0.00 C HETATM 250 CE1 PHL A 17 -8.374 -10.665 -0.607 1.00 0.00 C HETATM 251 CE2 PHL A 17 -7.135 -8.635 -0.200 1.00 0.00 C HETATM 252 CZ PHL A 17 -8.299 -9.385 -0.059 1.00 0.00 C HETATM 253 H1 PHL A 17 -2.379 -13.474 -1.609 1.00 0.00 H HETATM 254 H2 PHL A 17 -2.239 -11.973 -2.536 1.00 0.00 H HETATM 255 HO PHL A 17 -3.894 -12.762 -3.895 1.00 0.00 H HETATM 256 HA PHL A 17 -4.817 -12.963 -1.160 1.00 0.00 H HETATM 257 1HB PHL A 17 -4.192 -10.243 -2.476 1.00 0.00 H HETATM 258 2HB PHL A 17 -5.238 -11.476 -3.121 1.00 0.00 H HETATM 259 HD1 PHL A 17 -7.357 -12.190 -1.708 1.00 0.00 H HETATM 260 HD2 PHL A 17 -5.146 -8.571 -0.985 1.00 0.00 H HETATM 261 HE1 PHL A 17 -9.278 -11.248 -0.492 1.00 0.00 H HETATM 262 HE2 PHL A 17 -7.077 -7.644 0.228 1.00 0.00 H HETATM 263 HZ PHL A 17 -9.144 -8.977 0.476 1.00 0.00 H HETATM 264 H PHL A 17 -2.984 -10.718 -0.123 1.00 0.00 H TER 265 PHL A 17 HETATM 266 C ACE A 1 -1.770 10.913 1.024 1.00 0.00 C HETATM 267 O ACE A 1 -1.319 9.999 1.720 1.00 0.00 O HETATM 268 CH3 ACE A 1 -1.084 12.272 0.989 1.00 0.00 C HETATM 269 H1 ACE A 1 -0.667 12.470 -0.018 1.00 0.00 H HETATM 270 H2 ACE A 1 -1.781 13.091 1.241 1.00 0.00 H HETATM 271 H3 ACE A 1 -0.239 12.305 1.700 1.00 0.00 H ENDMDL MODEL 5 ATOM 1 N TRP A 2 -2.790 10.519 0.215 1.00 0.00 N ATOM 2 CA TRP A 2 -3.508 9.406 -0.468 1.00 0.00 C ATOM 3 C TRP A 2 -2.555 8.430 -1.242 1.00 0.00 C ATOM 4 O TRP A 2 -2.737 7.212 -1.169 1.00 0.00 O ATOM 5 CB TRP A 2 -4.630 9.949 -1.404 1.00 0.00 C ATOM 6 CG TRP A 2 -5.713 10.859 -0.783 1.00 0.00 C ATOM 7 CD1 TRP A 2 -6.335 10.704 0.478 1.00 0.00 C ATOM 8 CD2 TRP A 2 -6.270 12.010 -1.324 1.00 0.00 C ATOM 9 NE1 TRP A 2 -7.248 11.739 0.748 1.00 0.00 N ATOM 10 CE2 TRP A 2 -7.192 12.539 -0.382 1.00 0.00 C ATOM 11 CE3 TRP A 2 -6.063 12.667 -2.566 1.00 0.00 C ATOM 12 CZ2 TRP A 2 -7.900 13.731 -0.671 1.00 0.00 C ATOM 13 CZ3 TRP A 2 -6.779 13.835 -2.830 1.00 0.00 C ATOM 14 CH2 TRP A 2 -7.680 14.361 -1.897 1.00 0.00 C ATOM 15 H TRP A 2 -2.800 11.461 -0.176 1.00 0.00 H ATOM 16 HA TRP A 2 -4.007 8.826 0.324 1.00 0.00 H ATOM 17 1HB TRP A 2 -4.157 10.477 -2.254 1.00 0.00 H ATOM 18 2HB TRP A 2 -5.153 9.093 -1.869 1.00 0.00 H ATOM 19 HD1 TRP A 2 -6.120 9.901 1.168 1.00 0.00 H ATOM 20 HE1 TRP A 2 -7.823 11.871 1.587 1.00 0.00 H ATOM 21 HE3 TRP A 2 -5.374 12.274 -3.300 1.00 0.00 H ATOM 22 HZ2 TRP A 2 -8.597 14.150 0.040 1.00 0.00 H ATOM 23 HZ3 TRP A 2 -6.637 14.343 -3.774 1.00 0.00 H ATOM 24 HH2 TRP A 2 -8.214 15.271 -2.129 1.00 0.00 H ATOM 25 N ILE A 3 -1.528 8.967 -1.947 1.00 0.00 N ATOM 26 CA ILE A 3 -0.423 8.159 -2.543 1.00 0.00 C ATOM 27 C ILE A 3 0.488 7.442 -1.489 1.00 0.00 C ATOM 28 O ILE A 3 0.858 6.289 -1.711 1.00 0.00 O ATOM 29 CB ILE A 3 0.357 8.960 -3.654 1.00 0.00 C ATOM 30 CG1 ILE A 3 -0.541 9.565 -4.782 1.00 0.00 C ATOM 31 CG2 ILE A 3 1.520 8.166 -4.309 1.00 0.00 C ATOM 32 CD1 ILE A 3 -1.391 8.575 -5.602 1.00 0.00 C ATOM 33 H ILE A 3 -1.491 9.993 -1.926 1.00 0.00 H ATOM 34 HA ILE A 3 -0.921 7.343 -3.067 1.00 0.00 H ATOM 35 HB ILE A 3 0.835 9.821 -3.147 1.00 0.00 H ATOM 36 1HG1 ILE A 3 -1.220 10.318 -4.339 1.00 0.00 H ATOM 37 2HG1 ILE A 3 0.087 10.152 -5.480 1.00 0.00 H ATOM 38 1HG2 ILE A 3 1.170 7.227 -4.777 1.00 0.00 H ATOM 39 2HG2 ILE A 3 2.033 8.753 -5.094 1.00 0.00 H ATOM 40 3HG2 ILE A 3 2.296 7.890 -3.573 1.00 0.00 H ATOM 41 1HD1 ILE A 3 -2.107 8.022 -4.967 1.00 0.00 H ATOM 42 2HD1 ILE A 3 -1.983 9.101 -6.372 1.00 0.00 H ATOM 43 3HD1 ILE A 3 -0.767 7.828 -6.126 1.00 0.00 H ATOM 44 N GLN A 4 0.819 8.094 -0.360 1.00 0.00 N ATOM 45 CA GLN A 4 1.518 7.447 0.790 1.00 0.00 C ATOM 46 C GLN A 4 0.731 6.307 1.502 1.00 0.00 C ATOM 47 O GLN A 4 1.327 5.261 1.768 1.00 0.00 O ATOM 48 CB GLN A 4 1.995 8.525 1.800 1.00 0.00 C ATOM 49 CG GLN A 4 3.274 9.262 1.347 1.00 0.00 C ATOM 50 CD GLN A 4 3.637 10.459 2.244 1.00 0.00 C ATOM 51 OE1 GLN A 4 3.979 10.301 3.415 1.00 0.00 O ATOM 52 NE2 GLN A 4 3.584 11.674 1.720 1.00 0.00 N ATOM 53 H GLN A 4 0.405 9.027 -0.305 1.00 0.00 H ATOM 54 HA GLN A 4 2.422 6.960 0.378 1.00 0.00 H ATOM 55 1HB GLN A 4 1.177 9.243 2.004 1.00 0.00 H ATOM 56 2HB GLN A 4 2.211 8.063 2.783 1.00 0.00 H ATOM 57 1HG GLN A 4 4.113 8.540 1.352 1.00 0.00 H ATOM 58 2HG GLN A 4 3.171 9.567 0.288 1.00 0.00 H ATOM 59 1HE2 GLN A 4 3.290 11.742 0.739 1.00 0.00 H ATOM 60 2HE2 GLN A 4 3.886 12.446 2.323 1.00 0.00 H HETATM 61 N DIV A 5 -0.585 6.485 1.776 1.00 0.00 N HETATM 62 CA DIV A 5 -1.520 5.406 2.246 1.00 0.00 C HETATM 63 CB1 DIV A 5 -1.202 5.131 3.764 1.00 0.00 C HETATM 64 CG1 DIV A 5 -2.145 4.206 4.562 1.00 0.00 C HETATM 65 CB2 DIV A 5 -2.941 6.036 2.156 1.00 0.00 C HETATM 66 C DIV A 5 -1.458 4.122 1.317 1.00 0.00 C HETATM 67 O DIV A 5 -1.198 3.017 1.803 1.00 0.00 O HETATM 68 1HB1 DIV A 5 -0.180 4.721 3.859 1.00 0.00 H HETATM 69 2HB1 DIV A 5 -1.160 6.092 4.314 1.00 0.00 H HETATM 70 1HG1 DIV A 5 -2.244 3.206 4.105 1.00 0.00 H HETATM 71 2HG1 DIV A 5 -1.774 4.056 5.593 1.00 0.00 H HETATM 72 3HG1 DIV A 5 -3.161 4.633 4.650 1.00 0.00 H HETATM 73 1HB2 DIV A 5 -3.206 6.348 1.131 1.00 0.00 H HETATM 74 2HB2 DIV A 5 -3.729 5.327 2.466 1.00 0.00 H HETATM 75 3HB2 DIV A 5 -3.051 6.930 2.797 1.00 0.00 H HETATM 76 H DIV A 5 -0.932 7.411 1.508 1.00 0.00 H ATOM 77 N ILE A 6 -1.635 4.263 -0.027 1.00 0.00 N ATOM 78 CA ILE A 6 -1.558 3.125 -0.985 1.00 0.00 C ATOM 79 C ILE A 6 -0.134 2.505 -1.175 1.00 0.00 C ATOM 80 O ILE A 6 -0.039 1.278 -1.198 1.00 0.00 O ATOM 81 CB ILE A 6 -2.349 3.344 -2.326 1.00 0.00 C ATOM 82 CG1 ILE A 6 -1.822 4.468 -3.268 1.00 0.00 C ATOM 83 CG2 ILE A 6 -3.866 3.543 -2.073 1.00 0.00 C ATOM 84 CD1 ILE A 6 -0.767 4.037 -4.300 1.00 0.00 C ATOM 85 H ILE A 6 -1.962 5.180 -0.340 1.00 0.00 H ATOM 86 HA ILE A 6 -2.129 2.332 -0.484 1.00 0.00 H ATOM 87 HB ILE A 6 -2.294 2.392 -2.887 1.00 0.00 H ATOM 88 1HG1 ILE A 6 -2.650 4.923 -3.847 1.00 0.00 H ATOM 89 2HG1 ILE A 6 -1.425 5.295 -2.659 1.00 0.00 H ATOM 90 1HG2 ILE A 6 -4.080 4.499 -1.561 1.00 0.00 H ATOM 91 2HG2 ILE A 6 -4.441 3.544 -3.018 1.00 0.00 H ATOM 92 3HG2 ILE A 6 -4.287 2.734 -1.450 1.00 0.00 H ATOM 93 1HD1 ILE A 6 -1.181 3.299 -5.012 1.00 0.00 H ATOM 94 2HD1 ILE A 6 -0.413 4.902 -4.892 1.00 0.00 H ATOM 95 3HD1 ILE A 6 0.125 3.582 -3.837 1.00 0.00 H ATOM 96 N THR A 7 0.955 3.298 -1.267 1.00 0.00 N ATOM 97 CA THR A 7 2.358 2.779 -1.394 1.00 0.00 C ATOM 98 C THR A 7 2.850 1.947 -0.158 1.00 0.00 C ATOM 99 O THR A 7 3.424 0.872 -0.344 1.00 0.00 O ATOM 100 CB THR A 7 3.315 3.956 -1.766 1.00 0.00 C ATOM 101 OG1 THR A 7 2.867 4.589 -2.962 1.00 0.00 O ATOM 102 CG2 THR A 7 4.781 3.555 -2.013 1.00 0.00 C ATOM 103 H THR A 7 0.758 4.304 -1.222 1.00 0.00 H ATOM 104 HA THR A 7 2.366 2.089 -2.261 1.00 0.00 H ATOM 105 HB THR A 7 3.297 4.709 -0.953 1.00 0.00 H ATOM 106 HG1 THR A 7 3.460 5.328 -3.109 1.00 0.00 H ATOM 107 1HG2 THR A 7 5.390 4.426 -2.315 1.00 0.00 H ATOM 108 2HG2 THR A 7 5.255 3.131 -1.109 1.00 0.00 H ATOM 109 3HG2 THR A 7 4.865 2.800 -2.816 1.00 0.00 H HETATM 110 N AIB A 8 2.593 2.425 1.077 1.00 0.00 N HETATM 111 CA AIB A 8 2.685 1.623 2.343 1.00 0.00 C HETATM 112 C AIB A 8 1.803 0.311 2.367 1.00 0.00 C HETATM 113 O1 AIB A 8 2.196 -0.688 2.981 1.00 0.00 O HETATM 114 CB1 AIB A 8 2.150 2.551 3.464 1.00 0.00 C HETATM 115 CB2 AIB A 8 4.179 1.333 2.670 1.00 0.00 C HETATM 116 1HB1 AIB A 8 1.096 2.841 3.296 1.00 0.00 H HETATM 117 2HB1 AIB A 8 2.185 2.066 4.458 1.00 0.00 H HETATM 118 3HB1 AIB A 8 2.728 3.492 3.551 1.00 0.00 H HETATM 119 1HB2 AIB A 8 4.800 2.250 2.662 1.00 0.00 H HETATM 120 2HB2 AIB A 8 4.305 0.875 3.669 1.00 0.00 H HETATM 121 3HB2 AIB A 8 4.636 0.632 1.947 1.00 0.00 H HETATM 122 H AIB A 8 1.982 3.243 1.020 1.00 0.00 H ATOM 123 N LEU A 9 0.614 0.305 1.717 1.00 0.00 N ATOM 124 CA LEU A 9 -0.180 -0.919 1.473 1.00 0.00 C ATOM 125 C LEU A 9 0.290 -1.798 0.272 1.00 0.00 C ATOM 126 O LEU A 9 -0.137 -2.951 0.230 1.00 0.00 O ATOM 127 CB LEU A 9 -1.674 -0.512 1.301 1.00 0.00 C ATOM 128 CG LEU A 9 -2.479 -0.207 2.595 1.00 0.00 C ATOM 129 CD1 LEU A 9 -3.826 0.457 2.245 1.00 0.00 C ATOM 130 CD2 LEU A 9 -2.737 -1.467 3.451 1.00 0.00 C ATOM 131 H LEU A 9 0.413 1.105 1.113 1.00 0.00 H ATOM 132 HA LEU A 9 -0.097 -1.553 2.367 1.00 0.00 H ATOM 133 1HB LEU A 9 -1.731 0.356 0.616 1.00 0.00 H ATOM 134 2HB LEU A 9 -2.214 -1.302 0.749 1.00 0.00 H ATOM 135 HG LEU A 9 -1.907 0.514 3.208 1.00 0.00 H ATOM 136 1HD1 LEU A 9 -4.470 -0.205 1.636 1.00 0.00 H ATOM 137 2HD1 LEU A 9 -4.397 0.723 3.153 1.00 0.00 H ATOM 138 3HD1 LEU A 9 -3.684 1.391 1.674 1.00 0.00 H ATOM 139 1HD2 LEU A 9 -1.799 -1.921 3.817 1.00 0.00 H ATOM 140 2HD2 LEU A 9 -3.342 -1.234 4.348 1.00 0.00 H ATOM 141 3HD2 LEU A 9 -3.280 -2.249 2.886 1.00 0.00 H HETATM 142 N AIB A 10 1.133 -1.315 -0.685 1.00 0.00 N HETATM 143 CA AIB A 10 1.658 -2.128 -1.837 1.00 0.00 C HETATM 144 C AIB A 10 2.322 -3.527 -1.437 1.00 0.00 C HETATM 145 O1 AIB A 10 1.905 -4.547 -2.001 1.00 0.00 O HETATM 146 CB1 AIB A 10 2.685 -1.272 -2.628 1.00 0.00 C HETATM 147 CB2 AIB A 10 0.464 -2.306 -2.820 1.00 0.00 C HETATM 148 1HB1 AIB A 10 3.577 -1.007 -2.040 1.00 0.00 H HETATM 149 2HB1 AIB A 10 3.064 -1.804 -3.522 1.00 0.00 H HETATM 150 3HB1 AIB A 10 2.257 -0.314 -2.984 1.00 0.00 H HETATM 151 1HB2 AIB A 10 0.000 -1.338 -3.096 1.00 0.00 H HETATM 152 2HB2 AIB A 10 0.771 -2.804 -3.759 1.00 0.00 H HETATM 153 3HB2 AIB A 10 -0.333 -2.931 -2.378 1.00 0.00 H HETATM 154 H AIB A 10 1.484 -0.361 -0.481 1.00 0.00 H HETATM 155 N HPR A 11 3.292 -3.680 -0.472 1.00 0.00 N HETATM 156 CA HPR A 11 3.731 -5.016 0.040 1.00 0.00 C HETATM 157 C HPR A 11 2.687 -5.854 0.856 1.00 0.00 C HETATM 158 O HPR A 11 2.868 -7.066 1.003 1.00 0.00 O HETATM 159 CB HPR A 11 4.969 -4.644 0.880 1.00 0.00 C HETATM 160 CG HPR A 11 4.670 -3.250 1.437 1.00 0.00 C HETATM 161 CD HPR A 11 3.824 -2.580 0.352 1.00 0.00 C HETATM 162 OD HPR A 11 5.858 -2.516 1.707 1.00 0.00 O HETATM 163 HA HPR A 11 4.065 -5.640 -0.810 1.00 0.00 H HETATM 164 1HB HPR A 11 5.186 -5.372 1.685 1.00 0.00 H HETATM 165 2HB HPR A 11 5.871 -4.613 0.236 1.00 0.00 H HETATM 166 1HD HPR A 11 3.019 -2.008 0.832 1.00 0.00 H HETATM 167 2HD HPR A 11 4.389 -1.877 -0.276 1.00 0.00 H HETATM 168 HOD HPR A 11 6.233 -2.902 2.502 1.00 0.00 H HETATM 169 HG HPR A 11 4.076 -3.341 2.367 1.00 0.00 H ATOM 170 N GLN A 12 1.606 -5.216 1.347 1.00 0.00 N ATOM 171 CA GLN A 12 0.427 -5.866 1.935 1.00 0.00 C ATOM 172 C GLN A 12 -0.803 -6.044 0.973 1.00 0.00 C ATOM 173 O GLN A 12 -1.869 -6.389 1.481 1.00 0.00 O ATOM 174 CB GLN A 12 0.073 -5.093 3.241 1.00 0.00 C ATOM 175 CG GLN A 12 1.121 -5.211 4.379 1.00 0.00 C ATOM 176 CD GLN A 12 0.795 -4.426 5.662 1.00 0.00 C ATOM 177 OE1 GLN A 12 -0.061 -3.540 5.707 1.00 0.00 O ATOM 178 NE2 GLN A 12 1.499 -4.731 6.740 1.00 0.00 N ATOM 179 H GLN A 12 1.556 -4.223 1.178 1.00 0.00 H ATOM 180 HA GLN A 12 0.742 -6.862 2.229 1.00 0.00 H ATOM 181 1HB GLN A 12 -0.116 -4.026 3.010 1.00 0.00 H ATOM 182 2HB GLN A 12 -0.888 -5.464 3.645 1.00 0.00 H ATOM 183 1HG GLN A 12 1.252 -6.284 4.623 1.00 0.00 H ATOM 184 2HG GLN A 12 2.109 -4.869 4.013 1.00 0.00 H ATOM 185 1HE2 GLN A 12 2.212 -5.461 6.634 1.00 0.00 H ATOM 186 2HE2 GLN A 12 1.282 -4.207 7.594 1.00 0.00 H HETATM 187 N AIB A 13 -0.689 -5.883 -0.377 1.00 0.00 N HETATM 188 CA AIB A 13 -1.573 -6.543 -1.402 1.00 0.00 C HETATM 189 C AIB A 13 -1.237 -8.100 -1.535 1.00 0.00 C HETATM 190 O1 AIB A 13 -2.173 -8.899 -1.411 1.00 0.00 O HETATM 191 CB1 AIB A 13 -1.309 -5.814 -2.752 1.00 0.00 C HETATM 192 CB2 AIB A 13 -3.098 -6.281 -1.165 1.00 0.00 C HETATM 193 1HB1 AIB A 13 -0.244 -5.754 -3.029 1.00 0.00 H HETATM 194 2HB1 AIB A 13 -1.822 -6.312 -3.601 1.00 0.00 H HETATM 195 3HB1 AIB A 13 -1.664 -4.766 -2.745 1.00 0.00 H HETATM 196 1HB2 AIB A 13 -3.323 -5.209 -1.007 1.00 0.00 H HETATM 197 2HB2 AIB A 13 -3.715 -6.616 -2.022 1.00 0.00 H HETATM 198 3HB2 AIB A 13 -3.493 -6.826 -0.291 1.00 0.00 H HETATM 199 H AIB A 13 0.238 -5.528 -0.678 1.00 0.00 H HETATM 200 N HPR A 14 0.024 -8.616 -1.765 1.00 0.00 N HETATM 201 CA HPR A 14 0.311 -10.074 -1.911 1.00 0.00 C HETATM 202 C HPR A 14 0.170 -10.952 -0.629 1.00 0.00 C HETATM 203 O HPR A 14 -0.422 -12.031 -0.722 1.00 0.00 O HETATM 204 CB HPR A 14 1.748 -10.093 -2.477 1.00 0.00 C HETATM 205 CG HPR A 14 2.384 -8.821 -1.919 1.00 0.00 C HETATM 206 CD HPR A 14 1.246 -7.809 -1.960 1.00 0.00 C HETATM 207 OD HPR A 14 3.496 -8.389 -2.694 1.00 0.00 O HETATM 208 HA HPR A 14 -0.361 -10.497 -2.684 1.00 0.00 H HETATM 209 1HB HPR A 14 2.323 -10.998 -2.207 1.00 0.00 H HETATM 210 2HB HPR A 14 1.722 -10.061 -3.583 1.00 0.00 H HETATM 211 1HD HPR A 14 1.399 -7.060 -1.174 1.00 0.00 H HETATM 212 2HD HPR A 14 1.216 -7.269 -2.922 1.00 0.00 H HETATM 213 HOD HPR A 14 3.137 -8.103 -3.538 1.00 0.00 H HETATM 214 HG HPR A 14 2.683 -8.984 -0.863 1.00 0.00 H HETATM 215 N AIB A 15 0.713 -10.518 0.537 1.00 0.00 N HETATM 216 CA AIB A 15 0.618 -11.238 1.848 1.00 0.00 C HETATM 217 C AIB A 15 -0.859 -11.706 2.231 1.00 0.00 C HETATM 218 O1 AIB A 15 -1.031 -12.900 2.505 1.00 0.00 O HETATM 219 CB1 AIB A 15 1.213 -10.289 2.925 1.00 0.00 C HETATM 220 CB2 AIB A 15 1.609 -12.442 1.788 1.00 0.00 C HETATM 221 1HB1 AIB A 15 0.720 -9.304 2.967 1.00 0.00 H HETATM 222 2HB1 AIB A 15 1.144 -10.723 3.941 1.00 0.00 H HETATM 223 3HB1 AIB A 15 2.284 -10.065 2.751 1.00 0.00 H HETATM 224 1HB2 AIB A 15 2.636 -12.139 1.500 1.00 0.00 H HETATM 225 2HB2 AIB A 15 1.692 -12.959 2.764 1.00 0.00 H HETATM 226 3HB2 AIB A 15 1.289 -13.207 1.057 1.00 0.00 H HETATM 227 H AIB A 15 1.167 -9.600 0.468 1.00 0.00 H ATOM 228 N PRO A 16 -1.964 -10.890 2.198 1.00 0.00 N ATOM 229 CA PRO A 16 -3.358 -11.406 2.286 1.00 0.00 C ATOM 230 C PRO A 16 -3.937 -12.056 0.983 1.00 0.00 C ATOM 231 O PRO A 16 -4.622 -13.076 1.102 1.00 0.00 O ATOM 232 CB PRO A 16 -4.142 -10.161 2.739 1.00 0.00 C ATOM 233 CG PRO A 16 -3.390 -8.977 2.133 1.00 0.00 C ATOM 234 CD PRO A 16 -1.922 -9.419 2.097 1.00 0.00 C ATOM 235 HA PRO A 16 -3.424 -12.157 3.098 1.00 0.00 H ATOM 236 1HB PRO A 16 -5.208 -10.173 2.442 1.00 0.00 H ATOM 237 2HB PRO A 16 -4.128 -10.085 3.844 1.00 0.00 H ATOM 238 1HG PRO A 16 -3.751 -8.784 1.105 1.00 0.00 H ATOM 239 2HG PRO A 16 -3.540 -8.048 2.711 1.00 0.00 H ATOM 240 1HD PRO A 16 -1.438 -9.073 1.169 1.00 0.00 H ATOM 241 2HD PRO A 16 -1.359 -8.978 2.935 1.00 0.00 H HETATM 242 N PHL A 17 -3.717 -11.469 -0.219 1.00 0.00 N HETATM 243 CA PHL A 17 -4.371 -11.927 -1.474 1.00 0.00 C HETATM 244 C PHL A 17 -3.299 -11.990 -2.587 1.00 0.00 C HETATM 245 O PHL A 17 -3.826 -12.572 -3.774 1.00 0.00 O HETATM 246 CB PHL A 17 -5.554 -10.986 -1.852 1.00 0.00 C HETATM 247 CG PHL A 17 -6.776 -11.056 -0.915 1.00 0.00 C HETATM 248 CD1 PHL A 17 -7.651 -12.149 -0.975 1.00 0.00 C HETATM 249 CD2 PHL A 17 -7.010 -10.045 0.023 1.00 0.00 C HETATM 250 CE1 PHL A 17 -8.733 -12.232 -0.101 1.00 0.00 C HETATM 251 CE2 PHL A 17 -8.091 -10.130 0.896 1.00 0.00 C HETATM 252 CZ PHL A 17 -8.954 -11.222 0.833 1.00 0.00 C HETATM 253 H1 PHL A 17 -2.435 -12.600 -2.263 1.00 0.00 H HETATM 254 H2 PHL A 17 -2.893 -10.987 -2.820 1.00 0.00 H HETATM 255 HO PHL A 17 -4.516 -11.977 -4.077 1.00 0.00 H HETATM 256 HA PHL A 17 -4.761 -12.959 -1.363 1.00 0.00 H HETATM 257 1HB PHL A 17 -5.188 -9.943 -1.938 1.00 0.00 H HETATM 258 2HB PHL A 17 -5.897 -11.228 -2.876 1.00 0.00 H HETATM 259 HD1 PHL A 17 -7.487 -12.944 -1.688 1.00 0.00 H HETATM 260 HD2 PHL A 17 -6.344 -9.196 0.093 1.00 0.00 H HETATM 261 HE1 PHL A 17 -9.398 -13.082 -0.145 1.00 0.00 H HETATM 262 HE2 PHL A 17 -8.262 -9.353 1.626 1.00 0.00 H HETATM 263 HZ PHL A 17 -9.792 -11.290 1.512 1.00 0.00 H HETATM 264 H PHL A 17 -3.157 -10.607 -0.201 1.00 0.00 H TER 265 PHL A 17 HETATM 266 C ACE A 1 -1.981 10.332 1.265 1.00 0.00 C HETATM 267 O ACE A 1 -1.939 9.295 1.931 1.00 0.00 O HETATM 268 CH3 ACE A 1 -1.009 11.471 1.538 1.00 0.00 C HETATM 269 H1 ACE A 1 -1.529 12.441 1.642 1.00 0.00 H HETATM 270 H2 ACE A 1 -0.429 11.290 2.460 1.00 0.00 H HETATM 271 H3 ACE A 1 -0.280 11.559 0.710 1.00 0.00 H ENDMDL MODEL 6 ATOM 1 N TRP A 2 -2.927 10.788 0.160 1.00 0.00 N ATOM 2 CA TRP A 2 -3.413 9.434 -0.234 1.00 0.00 C ATOM 3 C TRP A 2 -2.418 8.545 -1.065 1.00 0.00 C ATOM 4 O TRP A 2 -2.599 7.326 -1.114 1.00 0.00 O ATOM 5 CB TRP A 2 -4.837 9.533 -0.860 1.00 0.00 C ATOM 6 CG TRP A 2 -4.943 9.911 -2.348 1.00 0.00 C ATOM 7 CD1 TRP A 2 -5.095 8.988 -3.404 1.00 0.00 C ATOM 8 CD2 TRP A 2 -4.879 11.156 -2.951 1.00 0.00 C ATOM 9 NE1 TRP A 2 -5.116 9.621 -4.658 1.00 0.00 N ATOM 10 CE2 TRP A 2 -4.980 10.966 -4.354 1.00 0.00 C ATOM 11 CE3 TRP A 2 -4.726 12.460 -2.415 1.00 0.00 C ATOM 12 CZ2 TRP A 2 -4.921 12.079 -5.229 1.00 0.00 C ATOM 13 CZ3 TRP A 2 -4.669 13.540 -3.296 1.00 0.00 C ATOM 14 CH2 TRP A 2 -4.765 13.353 -4.682 1.00 0.00 C ATOM 15 H TRP A 2 -3.304 11.632 -0.273 1.00 0.00 H ATOM 16 HA TRP A 2 -3.567 8.901 0.720 1.00 0.00 H ATOM 17 1HB TRP A 2 -5.338 8.555 -0.719 1.00 0.00 H ATOM 18 2HB TRP A 2 -5.468 10.224 -0.268 1.00 0.00 H ATOM 19 HD1 TRP A 2 -5.167 7.918 -3.272 1.00 0.00 H ATOM 20 HE1 TRP A 2 -5.197 9.186 -5.583 1.00 0.00 H ATOM 21 HE3 TRP A 2 -4.652 12.622 -1.349 1.00 0.00 H ATOM 22 HZ2 TRP A 2 -4.992 11.946 -6.299 1.00 0.00 H ATOM 23 HZ3 TRP A 2 -4.547 14.539 -2.904 1.00 0.00 H ATOM 24 HH2 TRP A 2 -4.714 14.209 -5.339 1.00 0.00 H ATOM 25 N ILE A 3 -1.373 9.137 -1.696 1.00 0.00 N ATOM 26 CA ILE A 3 -0.268 8.383 -2.355 1.00 0.00 C ATOM 27 C ILE A 3 0.614 7.532 -1.377 1.00 0.00 C ATOM 28 O ILE A 3 0.893 6.367 -1.664 1.00 0.00 O ATOM 29 CB ILE A 3 0.498 9.309 -3.373 1.00 0.00 C ATOM 30 CG1 ILE A 3 1.039 8.592 -4.645 1.00 0.00 C ATOM 31 CG2 ILE A 3 1.552 10.253 -2.743 1.00 0.00 C ATOM 32 CD1 ILE A 3 2.143 7.534 -4.488 1.00 0.00 C ATOM 33 H ILE A 3 -1.330 10.154 -1.578 1.00 0.00 H ATOM 34 HA ILE A 3 -0.799 7.645 -2.966 1.00 0.00 H ATOM 35 HB ILE A 3 -0.258 10.000 -3.800 1.00 0.00 H ATOM 36 1HG1 ILE A 3 0.190 8.122 -5.178 1.00 0.00 H ATOM 37 2HG1 ILE A 3 1.407 9.360 -5.352 1.00 0.00 H ATOM 38 1HG2 ILE A 3 2.419 9.699 -2.338 1.00 0.00 H ATOM 39 2HG2 ILE A 3 1.945 10.976 -3.482 1.00 0.00 H ATOM 40 3HG2 ILE A 3 1.125 10.846 -1.913 1.00 0.00 H ATOM 41 1HD1 ILE A 3 1.769 6.632 -3.974 1.00 0.00 H ATOM 42 2HD1 ILE A 3 2.511 7.202 -5.474 1.00 0.00 H ATOM 43 3HD1 ILE A 3 3.012 7.914 -3.923 1.00 0.00 H ATOM 44 N GLN A 4 0.987 8.085 -0.208 1.00 0.00 N ATOM 45 CA GLN A 4 1.617 7.318 0.906 1.00 0.00 C ATOM 46 C GLN A 4 0.738 6.195 1.527 1.00 0.00 C ATOM 47 O GLN A 4 1.267 5.106 1.762 1.00 0.00 O ATOM 48 CB GLN A 4 2.132 8.280 2.009 1.00 0.00 C ATOM 49 CG GLN A 4 3.467 8.965 1.649 1.00 0.00 C ATOM 50 CD GLN A 4 3.979 9.994 2.676 1.00 0.00 C ATOM 51 OE1 GLN A 4 3.461 10.159 3.781 1.00 0.00 O ATOM 52 NE2 GLN A 4 5.034 10.710 2.324 1.00 0.00 N ATOM 53 H GLN A 4 0.613 9.029 -0.082 1.00 0.00 H ATOM 54 HA GLN A 4 2.495 6.805 0.475 1.00 0.00 H ATOM 55 1HB GLN A 4 1.361 9.037 2.252 1.00 0.00 H ATOM 56 2HB GLN A 4 2.295 7.728 2.957 1.00 0.00 H ATOM 57 1HG GLN A 4 4.232 8.175 1.514 1.00 0.00 H ATOM 58 2HG GLN A 4 3.361 9.447 0.659 1.00 0.00 H ATOM 59 1HE2 GLN A 4 5.423 10.524 1.392 1.00 0.00 H ATOM 60 2HE2 GLN A 4 5.384 11.384 3.014 1.00 0.00 H HETATM 61 N DIV A 5 -0.576 6.436 1.766 1.00 0.00 N HETATM 62 CA DIV A 5 -1.567 5.393 2.201 1.00 0.00 C HETATM 63 CB1 DIV A 5 -1.273 5.079 3.719 1.00 0.00 C HETATM 64 CG1 DIV A 5 -2.264 4.206 4.515 1.00 0.00 C HETATM 65 CB2 DIV A 5 -2.959 6.082 2.112 1.00 0.00 C HETATM 66 C DIV A 5 -1.550 4.125 1.243 1.00 0.00 C HETATM 67 O DIV A 5 -1.379 2.997 1.714 1.00 0.00 O HETATM 68 1HB1 DIV A 5 -0.278 4.604 3.808 1.00 0.00 H HETATM 69 2HB1 DIV A 5 -1.169 6.026 4.284 1.00 0.00 H HETATM 70 1HG1 DIV A 5 -2.448 3.230 4.035 1.00 0.00 H HETATM 71 2HG1 DIV A 5 -1.879 4.001 5.531 1.00 0.00 H HETATM 72 3HG1 DIV A 5 -3.243 4.705 4.638 1.00 0.00 H HETATM 73 1HB2 DIV A 5 -3.210 6.407 1.089 1.00 0.00 H HETATM 74 2HB2 DIV A 5 -3.776 5.402 2.417 1.00 0.00 H HETATM 75 3HB2 DIV A 5 -3.035 6.978 2.757 1.00 0.00 H HETATM 76 H DIV A 5 -0.870 7.383 1.502 1.00 0.00 H ATOM 77 N ILE A 6 -1.650 4.302 -0.104 1.00 0.00 N ATOM 78 CA ILE A 6 -1.538 3.193 -1.091 1.00 0.00 C ATOM 79 C ILE A 6 -0.120 2.546 -1.214 1.00 0.00 C ATOM 80 O ILE A 6 -0.057 1.319 -1.234 1.00 0.00 O ATOM 81 CB ILE A 6 -2.248 3.519 -2.451 1.00 0.00 C ATOM 82 CG1 ILE A 6 -2.571 2.225 -3.259 1.00 0.00 C ATOM 83 CG2 ILE A 6 -1.501 4.563 -3.318 1.00 0.00 C ATOM 84 CD1 ILE A 6 -3.539 2.394 -4.440 1.00 0.00 C ATOM 85 H ILE A 6 -1.878 5.247 -0.418 1.00 0.00 H ATOM 86 HA ILE A 6 -2.167 2.412 -0.642 1.00 0.00 H ATOM 87 HB ILE A 6 -3.227 3.970 -2.197 1.00 0.00 H ATOM 88 1HG1 ILE A 6 -1.634 1.760 -3.623 1.00 0.00 H ATOM 89 2HG1 ILE A 6 -3.014 1.473 -2.578 1.00 0.00 H ATOM 90 1HG2 ILE A 6 -0.529 4.184 -3.690 1.00 0.00 H ATOM 91 2HG2 ILE A 6 -2.093 4.870 -4.199 1.00 0.00 H ATOM 92 3HG2 ILE A 6 -1.300 5.484 -2.746 1.00 0.00 H ATOM 93 1HD1 ILE A 6 -3.123 3.051 -5.224 1.00 0.00 H ATOM 94 2HD1 ILE A 6 -3.754 1.422 -4.920 1.00 0.00 H ATOM 95 3HD1 ILE A 6 -4.504 2.823 -4.118 1.00 0.00 H ATOM 96 N THR A 7 0.988 3.314 -1.274 1.00 0.00 N ATOM 97 CA THR A 7 2.381 2.762 -1.348 1.00 0.00 C ATOM 98 C THR A 7 2.784 1.850 -0.137 1.00 0.00 C ATOM 99 O THR A 7 3.338 0.772 -0.354 1.00 0.00 O ATOM 100 CB THR A 7 3.387 3.927 -1.607 1.00 0.00 C ATOM 101 OG1 THR A 7 3.023 4.633 -2.791 1.00 0.00 O ATOM 102 CG2 THR A 7 4.855 3.503 -1.797 1.00 0.00 C ATOM 103 H THR A 7 0.810 4.325 -1.236 1.00 0.00 H ATOM 104 HA THR A 7 2.416 2.117 -2.248 1.00 0.00 H ATOM 105 HB THR A 7 3.346 4.640 -0.761 1.00 0.00 H ATOM 106 HG1 THR A 7 3.637 5.367 -2.861 1.00 0.00 H ATOM 107 1HG2 THR A 7 5.505 4.373 -2.001 1.00 0.00 H ATOM 108 2HG2 THR A 7 5.262 3.005 -0.898 1.00 0.00 H ATOM 109 3HG2 THR A 7 4.970 2.802 -2.647 1.00 0.00 H HETATM 110 N AIB A 8 2.470 2.259 1.111 1.00 0.00 N HETATM 111 CA AIB A 8 2.485 1.383 2.333 1.00 0.00 C HETATM 112 C AIB A 8 1.568 0.097 2.239 1.00 0.00 C HETATM 113 O1 AIB A 8 1.916 -0.958 2.783 1.00 0.00 O HETATM 114 CB1 AIB A 8 1.929 2.263 3.484 1.00 0.00 C HETATM 115 CB2 AIB A 8 3.957 1.028 2.701 1.00 0.00 C HETATM 116 1HB1 AIB A 8 0.887 2.585 3.295 1.00 0.00 H HETATM 117 2HB1 AIB A 8 1.918 1.727 4.452 1.00 0.00 H HETATM 118 3HB1 AIB A 8 2.521 3.185 3.643 1.00 0.00 H HETATM 119 1HB2 AIB A 8 4.609 1.921 2.759 1.00 0.00 H HETATM 120 2HB2 AIB A 8 4.033 0.516 3.678 1.00 0.00 H HETATM 121 3HB2 AIB A 8 4.416 0.348 1.960 1.00 0.00 H HETATM 122 H AIB A 8 1.865 3.083 1.066 1.00 0.00 H ATOM 123 N LEU A 9 0.405 0.170 1.549 1.00 0.00 N ATOM 124 CA LEU A 9 -0.402 -1.013 1.176 1.00 0.00 C ATOM 125 C LEU A 9 0.131 -1.847 -0.027 1.00 0.00 C ATOM 126 O LEU A 9 -0.271 -3.009 -0.105 1.00 0.00 O ATOM 127 CB LEU A 9 -1.875 -0.565 0.959 1.00 0.00 C ATOM 128 CG LEU A 9 -2.838 -0.594 2.180 1.00 0.00 C ATOM 129 CD1 LEU A 9 -3.342 -2.023 2.481 1.00 0.00 C ATOM 130 CD2 LEU A 9 -2.314 0.067 3.470 1.00 0.00 C ATOM 131 H LEU A 9 0.174 1.064 1.100 1.00 0.00 H ATOM 132 HA LEU A 9 -0.414 -1.693 2.036 1.00 0.00 H ATOM 133 1HB LEU A 9 -1.907 0.443 0.499 1.00 0.00 H ATOM 134 2HB LEU A 9 -2.332 -1.201 0.179 1.00 0.00 H ATOM 135 HG LEU A 9 -3.704 0.008 1.862 1.00 0.00 H ATOM 136 1HD1 LEU A 9 -2.531 -2.682 2.840 1.00 0.00 H ATOM 137 2HD1 LEU A 9 -4.132 -2.025 3.254 1.00 0.00 H ATOM 138 3HD1 LEU A 9 -3.780 -2.505 1.587 1.00 0.00 H ATOM 139 1HD2 LEU A 9 -1.951 1.091 3.283 1.00 0.00 H ATOM 140 2HD2 LEU A 9 -3.104 0.141 4.239 1.00 0.00 H ATOM 141 3HD2 LEU A 9 -1.474 -0.500 3.914 1.00 0.00 H HETATM 142 N AIB A 10 0.996 -1.332 -0.945 1.00 0.00 N HETATM 143 CA AIB A 10 1.583 -2.124 -2.081 1.00 0.00 C HETATM 144 C AIB A 10 2.283 -3.489 -1.631 1.00 0.00 C HETATM 145 O1 AIB A 10 1.890 -4.540 -2.157 1.00 0.00 O HETATM 146 CB1 AIB A 10 2.590 -1.215 -2.838 1.00 0.00 C HETATM 147 CB2 AIB A 10 0.437 -2.358 -3.111 1.00 0.00 C HETATM 148 1HB1 AIB A 10 3.445 -0.896 -2.223 1.00 0.00 H HETATM 149 2HB1 AIB A 10 3.025 -1.725 -3.718 1.00 0.00 H HETATM 150 3HB1 AIB A 10 2.125 -0.283 -3.211 1.00 0.00 H HETATM 151 1HB2 AIB A 10 -0.052 -1.412 -3.417 1.00 0.00 H HETATM 152 2HB2 AIB A 10 0.799 -2.854 -4.030 1.00 0.00 H HETATM 153 3HB2 AIB A 10 -0.356 -3.005 -2.699 1.00 0.00 H HETATM 154 H AIB A 10 1.365 -0.394 -0.694 1.00 0.00 H HETATM 155 N HPR A 11 3.241 -3.582 -0.647 1.00 0.00 N HETATM 156 CA HPR A 11 3.695 -4.882 -0.064 1.00 0.00 C HETATM 157 C HPR A 11 2.655 -5.690 0.787 1.00 0.00 C HETATM 158 O HPR A 11 2.854 -6.889 1.001 1.00 0.00 O HETATM 159 CB HPR A 11 4.910 -4.453 0.780 1.00 0.00 C HETATM 160 CG HPR A 11 4.573 -3.043 1.267 1.00 0.00 C HETATM 161 CD HPR A 11 3.754 -2.438 0.125 1.00 0.00 C HETATM 162 OD HPR A 11 5.745 -2.289 1.538 1.00 0.00 O HETATM 163 HA HPR A 11 4.046 -5.542 -0.880 1.00 0.00 H HETATM 164 1HB HPR A 11 5.127 -5.137 1.622 1.00 0.00 H HETATM 165 2HB HPR A 11 5.819 -4.435 0.149 1.00 0.00 H HETATM 166 1HD HPR A 11 2.945 -1.821 0.540 1.00 0.00 H HETATM 167 2HD HPR A 11 4.343 -1.787 -0.532 1.00 0.00 H HETATM 168 HOD HPR A 11 6.248 -2.806 2.170 1.00 0.00 H HETATM 169 HG HPR A 11 3.948 -3.106 2.180 1.00 0.00 H ATOM 170 N GLN A 12 1.560 -5.048 1.239 1.00 0.00 N ATOM 171 CA GLN A 12 0.388 -5.693 1.847 1.00 0.00 C ATOM 172 C GLN A 12 -0.774 -6.060 0.856 1.00 0.00 C ATOM 173 O GLN A 12 -1.809 -6.499 1.354 1.00 0.00 O ATOM 174 CB GLN A 12 -0.115 -4.793 3.013 1.00 0.00 C ATOM 175 CG GLN A 12 0.853 -4.595 4.207 1.00 0.00 C ATOM 176 CD GLN A 12 0.357 -3.622 5.292 1.00 0.00 C ATOM 177 OE1 GLN A 12 -0.720 -3.023 5.224 1.00 0.00 O ATOM 178 NE2 GLN A 12 1.157 -3.440 6.329 1.00 0.00 N ATOM 179 H GLN A 12 1.487 -4.066 1.013 1.00 0.00 H ATOM 180 HA GLN A 12 0.748 -6.619 2.286 1.00 0.00 H ATOM 181 1HB GLN A 12 -0.403 -3.809 2.604 1.00 0.00 H ATOM 182 2HB GLN A 12 -1.053 -5.210 3.424 1.00 0.00 H ATOM 183 1HG GLN A 12 1.062 -5.582 4.662 1.00 0.00 H ATOM 184 2HG GLN A 12 1.831 -4.231 3.837 1.00 0.00 H ATOM 185 1HE2 GLN A 12 2.039 -3.966 6.317 1.00 0.00 H ATOM 186 2HE2 GLN A 12 0.830 -2.799 7.058 1.00 0.00 H HETATM 187 N AIB A 13 -0.642 -5.946 -0.499 1.00 0.00 N HETATM 188 CA AIB A 13 -1.479 -6.691 -1.505 1.00 0.00 C HETATM 189 C AIB A 13 -1.108 -8.247 -1.538 1.00 0.00 C HETATM 190 O1 AIB A 13 -2.034 -9.060 -1.416 1.00 0.00 O HETATM 191 CB1 AIB A 13 -1.200 -6.039 -2.891 1.00 0.00 C HETATM 192 CB2 AIB A 13 -3.016 -6.454 -1.316 1.00 0.00 C HETATM 193 1HB1 AIB A 13 -0.132 -5.984 -3.153 1.00 0.00 H HETATM 194 2HB1 AIB A 13 -1.695 -6.592 -3.713 1.00 0.00 H HETATM 195 3HB1 AIB A 13 -1.570 -4.998 -2.953 1.00 0.00 H HETATM 196 1HB2 AIB A 13 -3.276 -5.380 -1.245 1.00 0.00 H HETATM 197 2HB2 AIB A 13 -3.609 -6.876 -2.150 1.00 0.00 H HETATM 198 3HB2 AIB A 13 -3.415 -6.938 -0.408 1.00 0.00 H HETATM 199 H AIB A 13 0.273 -5.563 -0.801 1.00 0.00 H HETATM 200 N HPR A 14 0.171 -8.746 -1.674 1.00 0.00 N HETATM 201 CA HPR A 14 0.491 -10.204 -1.726 1.00 0.00 C HETATM 202 C HPR A 14 0.315 -11.022 -0.408 1.00 0.00 C HETATM 203 O HPR A 14 -0.221 -12.131 -0.473 1.00 0.00 O HETATM 204 CB HPR A 14 1.947 -10.219 -2.235 1.00 0.00 C HETATM 205 CG HPR A 14 2.537 -8.907 -1.724 1.00 0.00 C HETATM 206 CD HPR A 14 1.381 -7.925 -1.875 1.00 0.00 C HETATM 207 OD HPR A 14 3.675 -8.496 -2.471 1.00 0.00 O HETATM 208 HA HPR A 14 -0.140 -10.679 -2.503 1.00 0.00 H HETATM 209 1HB HPR A 14 2.529 -11.100 -1.898 1.00 0.00 H HETATM 210 2HB HPR A 14 1.960 -10.240 -3.342 1.00 0.00 H HETATM 211 1HD HPR A 14 1.488 -7.124 -1.136 1.00 0.00 H HETATM 212 2HD HPR A 14 1.372 -7.447 -2.867 1.00 0.00 H HETATM 213 HOD HPR A 14 3.358 -8.322 -3.360 1.00 0.00 H HETATM 214 HG HPR A 14 2.795 -9.000 -0.649 1.00 0.00 H HETATM 215 N AIB A 15 0.774 -10.502 0.761 1.00 0.00 N HETATM 216 CA AIB A 15 0.635 -11.153 2.104 1.00 0.00 C HETATM 217 C AIB A 15 -0.849 -11.641 2.440 1.00 0.00 C HETATM 218 O1 AIB A 15 -1.010 -12.832 2.738 1.00 0.00 O HETATM 219 CB1 AIB A 15 1.166 -10.126 3.146 1.00 0.00 C HETATM 220 CB2 AIB A 15 1.661 -12.330 2.165 1.00 0.00 C HETATM 221 1HB1 AIB A 15 0.666 -9.145 3.094 1.00 0.00 H HETATM 222 2HB1 AIB A 15 1.047 -10.492 4.184 1.00 0.00 H HETATM 223 3HB1 AIB A 15 2.242 -9.899 3.012 1.00 0.00 H HETATM 224 1HB2 AIB A 15 2.691 -12.020 1.899 1.00 0.00 H HETATM 225 2HB2 AIB A 15 1.716 -12.773 3.177 1.00 0.00 H HETATM 226 3HB2 AIB A 15 1.393 -13.152 1.477 1.00 0.00 H HETATM 227 H AIB A 15 1.186 -9.567 0.671 1.00 0.00 H ATOM 228 N PRO A 16 -1.968 -10.848 2.343 1.00 0.00 N ATOM 229 CA PRO A 16 -3.358 -11.384 2.394 1.00 0.00 C ATOM 230 C PRO A 16 -3.877 -12.083 1.090 1.00 0.00 C ATOM 231 O PRO A 16 -4.538 -13.116 1.211 1.00 0.00 O ATOM 232 CB PRO A 16 -4.175 -10.138 2.776 1.00 0.00 C ATOM 233 CG PRO A 16 -3.417 -8.962 2.164 1.00 0.00 C ATOM 234 CD PRO A 16 -1.947 -9.387 2.163 1.00 0.00 C ATOM 235 HA PRO A 16 -3.447 -12.108 3.228 1.00 0.00 H ATOM 236 1HB PRO A 16 -5.230 -10.177 2.442 1.00 0.00 H ATOM 237 2HB PRO A 16 -4.203 -10.026 3.878 1.00 0.00 H ATOM 238 1HG PRO A 16 -3.758 -8.787 1.126 1.00 0.00 H ATOM 239 2HG PRO A 16 -3.587 -8.020 2.718 1.00 0.00 H ATOM 240 1HD PRO A 16 -1.463 -9.099 1.216 1.00 0.00 H ATOM 241 2HD PRO A 16 -1.400 -8.885 2.978 1.00 0.00 H HETATM 242 N PHL A 17 -3.615 -11.526 -0.116 1.00 0.00 N HETATM 243 CA PHL A 17 -4.149 -12.061 -1.399 1.00 0.00 C HETATM 244 C PHL A 17 -2.964 -12.598 -2.234 1.00 0.00 C HETATM 245 O PHL A 17 -3.422 -13.266 -3.403 1.00 0.00 O HETATM 246 CB PHL A 17 -4.954 -10.969 -2.163 1.00 0.00 C HETATM 247 CG PHL A 17 -6.280 -10.537 -1.502 1.00 0.00 C HETATM 248 CD1 PHL A 17 -6.362 -9.333 -0.795 1.00 0.00 C HETATM 249 CD2 PHL A 17 -7.412 -11.355 -1.605 1.00 0.00 C HETATM 250 CE1 PHL A 17 -7.562 -8.955 -0.190 1.00 0.00 C HETATM 251 CE2 PHL A 17 -8.609 -10.975 -0.998 1.00 0.00 C HETATM 252 CZ PHL A 17 -8.681 -9.777 -0.292 1.00 0.00 C HETATM 253 H1 PHL A 17 -2.363 -13.313 -1.642 1.00 0.00 H HETATM 254 H2 PHL A 17 -2.274 -11.781 -2.524 1.00 0.00 H HETATM 255 HO PHL A 17 -3.850 -12.596 -3.943 1.00 0.00 H HETATM 256 HA PHL A 17 -4.828 -12.916 -1.218 1.00 0.00 H HETATM 257 1HB PHL A 17 -4.310 -10.086 -2.349 1.00 0.00 H HETATM 258 2HB PHL A 17 -5.189 -11.338 -3.179 1.00 0.00 H HETATM 259 HD1 PHL A 17 -5.502 -8.687 -0.706 1.00 0.00 H HETATM 260 HD2 PHL A 17 -7.368 -12.287 -2.148 1.00 0.00 H HETATM 261 HE1 PHL A 17 -7.621 -8.027 0.356 1.00 0.00 H HETATM 262 HE2 PHL A 17 -9.478 -11.610 -1.077 1.00 0.00 H HETATM 263 HZ PHL A 17 -9.609 -9.485 0.177 1.00 0.00 H HETATM 264 H PHL A 17 -3.027 -10.681 -0.095 1.00 0.00 H TER 265 PHL A 17 HETATM 266 C ACE A 1 -1.878 10.973 0.977 1.00 0.00 C HETATM 267 O ACE A 1 -1.351 10.073 1.638 1.00 0.00 O HETATM 268 CH3 ACE A 1 -1.288 12.375 0.965 1.00 0.00 C HETATM 269 H1 ACE A 1 -0.918 12.631 -0.047 1.00 0.00 H HETATM 270 H2 ACE A 1 -2.031 13.134 1.263 1.00 0.00 H HETATM 271 H3 ACE A 1 -0.426 12.447 1.650 1.00 0.00 H ENDMDL MODEL 7 ATOM 1 N TRP A 2 -2.628 10.531 0.327 1.00 0.00 N ATOM 2 CA TRP A 2 -3.354 9.423 -0.352 1.00 0.00 C ATOM 3 C TRP A 2 -2.432 8.485 -1.204 1.00 0.00 C ATOM 4 O TRP A 2 -2.658 7.271 -1.225 1.00 0.00 O ATOM 5 CB TRP A 2 -4.533 9.969 -1.208 1.00 0.00 C ATOM 6 CG TRP A 2 -5.646 10.762 -0.487 1.00 0.00 C ATOM 7 CD1 TRP A 2 -6.143 10.544 0.821 1.00 0.00 C ATOM 8 CD2 TRP A 2 -6.389 11.825 -0.985 1.00 0.00 C ATOM 9 NE1 TRP A 2 -7.159 11.456 1.159 1.00 0.00 N ATOM 10 CE2 TRP A 2 -7.297 12.239 0.025 1.00 0.00 C ATOM 11 CE3 TRP A 2 -6.380 12.472 -2.249 1.00 0.00 C ATOM 12 CZ2 TRP A 2 -8.195 13.306 -0.220 1.00 0.00 C ATOM 13 CZ3 TRP A 2 -7.279 13.518 -2.467 1.00 0.00 C ATOM 14 CH2 TRP A 2 -8.168 13.931 -1.470 1.00 0.00 C ATOM 15 H TRP A 2 -2.643 11.474 -0.060 1.00 0.00 H ATOM 16 HA TRP A 2 -3.798 8.812 0.447 1.00 0.00 H ATOM 17 1HB TRP A 2 -4.122 10.586 -2.031 1.00 0.00 H ATOM 18 2HB TRP A 2 -5.027 9.122 -1.721 1.00 0.00 H ATOM 19 HD1 TRP A 2 -5.788 9.773 1.488 1.00 0.00 H ATOM 20 HE1 TRP A 2 -7.691 11.513 2.034 1.00 0.00 H ATOM 21 HE3 TRP A 2 -5.706 12.161 -3.032 1.00 0.00 H ATOM 22 HZ2 TRP A 2 -8.892 13.633 0.538 1.00 0.00 H ATOM 23 HZ3 TRP A 2 -7.290 14.015 -3.426 1.00 0.00 H ATOM 24 HH2 TRP A 2 -8.852 14.744 -1.670 1.00 0.00 H ATOM 25 N ILE A 3 -1.389 9.032 -1.876 1.00 0.00 N ATOM 26 CA ILE A 3 -0.325 8.221 -2.537 1.00 0.00 C ATOM 27 C ILE A 3 0.580 7.377 -1.582 1.00 0.00 C ATOM 28 O ILE A 3 0.987 6.285 -1.980 1.00 0.00 O ATOM 29 CB ILE A 3 0.471 9.001 -3.646 1.00 0.00 C ATOM 30 CG1 ILE A 3 1.336 10.212 -3.171 1.00 0.00 C ATOM 31 CG2 ILE A 3 -0.458 9.427 -4.812 1.00 0.00 C ATOM 32 CD1 ILE A 3 2.758 9.862 -2.705 1.00 0.00 C ATOM 33 H ILE A 3 -1.299 10.049 -1.769 1.00 0.00 H ATOM 34 HA ILE A 3 -0.880 7.448 -3.086 1.00 0.00 H ATOM 35 HB ILE A 3 1.160 8.271 -4.114 1.00 0.00 H ATOM 36 1HG1 ILE A 3 1.456 10.943 -3.994 1.00 0.00 H ATOM 37 2HG1 ILE A 3 0.811 10.773 -2.376 1.00 0.00 H ATOM 38 1HG2 ILE A 3 -1.180 10.208 -4.506 1.00 0.00 H ATOM 39 2HG2 ILE A 3 0.116 9.828 -5.668 1.00 0.00 H ATOM 40 3HG2 ILE A 3 -1.045 8.573 -5.200 1.00 0.00 H ATOM 41 1HD1 ILE A 3 3.345 9.381 -3.509 1.00 0.00 H ATOM 42 2HD1 ILE A 3 3.311 10.767 -2.397 1.00 0.00 H ATOM 43 3HD1 ILE A 3 2.763 9.175 -1.845 1.00 0.00 H ATOM 44 N GLN A 4 0.861 7.841 -0.347 1.00 0.00 N ATOM 45 CA GLN A 4 1.507 7.015 0.709 1.00 0.00 C ATOM 46 C GLN A 4 0.565 6.039 1.466 1.00 0.00 C ATOM 47 O GLN A 4 1.043 4.967 1.834 1.00 0.00 O ATOM 48 CB GLN A 4 2.311 7.877 1.719 1.00 0.00 C ATOM 49 CG GLN A 4 3.637 8.463 1.186 1.00 0.00 C ATOM 50 CD GLN A 4 4.753 7.458 0.826 1.00 0.00 C ATOM 51 OE1 GLN A 4 4.795 6.317 1.294 1.00 0.00 O ATOM 52 NE2 GLN A 4 5.696 7.873 -0.002 1.00 0.00 N ATOM 53 H GLN A 4 0.437 8.744 -0.137 1.00 0.00 H ATOM 54 HA GLN A 4 2.240 6.370 0.199 1.00 0.00 H ATOM 55 1HB GLN A 4 1.673 8.699 2.094 1.00 0.00 H ATOM 56 2HB GLN A 4 2.558 7.282 2.621 1.00 0.00 H ATOM 57 1HG GLN A 4 3.404 9.103 0.318 1.00 0.00 H ATOM 58 2HG GLN A 4 4.037 9.140 1.961 1.00 0.00 H ATOM 59 1HE2 GLN A 4 5.617 8.838 -0.344 1.00 0.00 H ATOM 60 2HE2 GLN A 4 6.447 7.208 -0.213 1.00 0.00 H HETATM 61 N DIV A 5 -0.741 6.346 1.681 1.00 0.00 N HETATM 62 CA DIV A 5 -1.785 5.352 2.117 1.00 0.00 C HETATM 63 CB1 DIV A 5 -1.576 5.053 3.652 1.00 0.00 C HETATM 64 CG1 DIV A 5 -2.632 4.204 4.395 1.00 0.00 C HETATM 65 CB2 DIV A 5 -3.152 6.078 1.961 1.00 0.00 C HETATM 66 C DIV A 5 -1.755 4.061 1.195 1.00 0.00 C HETATM 67 O DIV A 5 -1.575 2.950 1.704 1.00 0.00 O HETATM 68 1HB1 DIV A 5 -0.598 4.558 3.799 1.00 0.00 H HETATM 69 2HB1 DIV A 5 -1.483 6.007 4.209 1.00 0.00 H HETATM 70 1HG1 DIV A 5 -2.826 3.237 3.897 1.00 0.00 H HETATM 71 2HG1 DIV A 5 -2.307 3.974 5.425 1.00 0.00 H HETATM 72 3HG1 DIV A 5 -3.600 4.730 4.478 1.00 0.00 H HETATM 73 1HB2 DIV A 5 -3.362 6.379 0.921 1.00 0.00 H HETATM 74 2HB2 DIV A 5 -4.001 5.435 2.258 1.00 0.00 H HETATM 75 3HB2 DIV A 5 -3.220 6.997 2.575 1.00 0.00 H HETATM 76 H DIV A 5 -1.013 7.265 1.315 1.00 0.00 H ATOM 77 N ILE A 6 -1.817 4.205 -0.158 1.00 0.00 N ATOM 78 CA ILE A 6 -1.620 3.074 -1.104 1.00 0.00 C ATOM 79 C ILE A 6 -0.167 2.500 -1.175 1.00 0.00 C ATOM 80 O ILE A 6 -0.045 1.281 -1.076 1.00 0.00 O ATOM 81 CB ILE A 6 -2.330 3.299 -2.487 1.00 0.00 C ATOM 82 CG1 ILE A 6 -2.487 2.011 -3.355 1.00 0.00 C ATOM 83 CG2 ILE A 6 -1.689 4.412 -3.349 1.00 0.00 C ATOM 84 CD1 ILE A 6 -3.332 0.881 -2.738 1.00 0.00 C ATOM 85 H ILE A 6 -2.046 5.141 -0.504 1.00 0.00 H ATOM 86 HA ILE A 6 -2.214 2.277 -0.638 1.00 0.00 H ATOM 87 HB ILE A 6 -3.360 3.642 -2.270 1.00 0.00 H ATOM 88 1HG1 ILE A 6 -2.961 2.277 -4.319 1.00 0.00 H ATOM 89 2HG1 ILE A 6 -1.493 1.608 -3.627 1.00 0.00 H ATOM 90 1HG2 ILE A 6 -0.673 4.144 -3.693 1.00 0.00 H ATOM 91 2HG2 ILE A 6 -2.293 4.634 -4.247 1.00 0.00 H ATOM 92 3HG2 ILE A 6 -1.604 5.355 -2.784 1.00 0.00 H ATOM 93 1HD1 ILE A 6 -4.338 1.234 -2.450 1.00 0.00 H ATOM 94 2HD1 ILE A 6 -3.468 0.054 -3.458 1.00 0.00 H ATOM 95 3HD1 ILE A 6 -2.856 0.449 -1.840 1.00 0.00 H ATOM 96 N THR A 7 0.908 3.304 -1.328 1.00 0.00 N ATOM 97 CA THR A 7 2.313 2.786 -1.460 1.00 0.00 C ATOM 98 C THR A 7 2.855 2.007 -0.212 1.00 0.00 C ATOM 99 O THR A 7 3.453 0.944 -0.390 1.00 0.00 O ATOM 100 CB THR A 7 3.267 3.923 -1.944 1.00 0.00 C ATOM 101 OG1 THR A 7 2.801 4.445 -3.187 1.00 0.00 O ATOM 102 CG2 THR A 7 4.735 3.513 -2.178 1.00 0.00 C ATOM 103 H THR A 7 0.692 4.306 -1.385 1.00 0.00 H ATOM 104 HA THR A 7 2.293 2.050 -2.287 1.00 0.00 H ATOM 105 HB THR A 7 3.260 4.743 -1.200 1.00 0.00 H ATOM 106 HG1 THR A 7 3.400 5.157 -3.418 1.00 0.00 H ATOM 107 1HG2 THR A 7 5.337 4.360 -2.554 1.00 0.00 H ATOM 108 2HG2 THR A 7 5.221 3.167 -1.246 1.00 0.00 H ATOM 109 3HG2 THR A 7 4.818 2.696 -2.918 1.00 0.00 H HETATM 110 N AIB A 8 2.617 2.494 1.026 1.00 0.00 N HETATM 111 CA AIB A 8 2.777 1.707 2.299 1.00 0.00 C HETATM 112 C AIB A 8 1.913 0.385 2.365 1.00 0.00 C HETATM 113 O1 AIB A 8 2.366 -0.623 2.917 1.00 0.00 O HETATM 114 CB1 AIB A 8 2.294 2.622 3.454 1.00 0.00 C HETATM 115 CB2 AIB A 8 4.291 1.440 2.558 1.00 0.00 C HETATM 116 1HB1 AIB A 8 1.220 2.873 3.369 1.00 0.00 H HETATM 117 2HB1 AIB A 8 2.422 2.146 4.444 1.00 0.00 H HETATM 118 3HB1 AIB A 8 2.842 3.584 3.496 1.00 0.00 H HETATM 119 1HB2 AIB A 8 4.894 2.368 2.540 1.00 0.00 H HETATM 120 2HB2 AIB A 8 4.466 0.966 3.543 1.00 0.00 H HETATM 121 3HB2 AIB A 8 4.731 0.759 1.807 1.00 0.00 H HETATM 122 H AIB A 8 2.011 3.319 0.989 1.00 0.00 H ATOM 123 N LEU A 9 0.678 0.375 1.802 1.00 0.00 N ATOM 124 CA LEU A 9 -0.108 -0.859 1.581 1.00 0.00 C ATOM 125 C LEU A 9 0.335 -1.735 0.369 1.00 0.00 C ATOM 126 O LEU A 9 -0.102 -2.887 0.338 1.00 0.00 O ATOM 127 CB LEU A 9 -1.611 -0.483 1.424 1.00 0.00 C ATOM 128 CG LEU A 9 -2.415 -0.158 2.714 1.00 0.00 C ATOM 129 CD1 LEU A 9 -3.801 0.405 2.345 1.00 0.00 C ATOM 130 CD2 LEU A 9 -2.597 -1.380 3.641 1.00 0.00 C ATOM 131 H LEU A 9 0.430 1.184 1.226 1.00 0.00 H ATOM 132 HA LEU A 9 0.001 -1.489 2.476 1.00 0.00 H ATOM 133 1HB LEU A 9 -1.696 0.364 0.716 1.00 0.00 H ATOM 134 2HB LEU A 9 -2.143 -1.294 0.901 1.00 0.00 H ATOM 135 HG LEU A 9 -1.876 0.623 3.280 1.00 0.00 H ATOM 136 1HD1 LEU A 9 -4.413 -0.330 1.791 1.00 0.00 H ATOM 137 2HD1 LEU A 9 -4.374 0.700 3.244 1.00 0.00 H ATOM 138 3HD1 LEU A 9 -3.720 1.305 1.711 1.00 0.00 H ATOM 139 1HD2 LEU A 9 -1.635 -1.757 4.029 1.00 0.00 H ATOM 140 2HD2 LEU A 9 -3.215 -1.129 4.525 1.00 0.00 H ATOM 141 3HD2 LEU A 9 -3.097 -2.222 3.124 1.00 0.00 H HETATM 142 N AIB A 10 1.148 -1.255 -0.615 1.00 0.00 N HETATM 143 CA AIB A 10 1.606 -2.059 -1.800 1.00 0.00 C HETATM 144 C AIB A 10 2.281 -3.458 -1.431 1.00 0.00 C HETATM 145 O1 AIB A 10 1.840 -4.475 -1.981 1.00 0.00 O HETATM 146 CB1 AIB A 10 2.590 -1.210 -2.647 1.00 0.00 C HETATM 147 CB2 AIB A 10 0.364 -2.222 -2.724 1.00 0.00 C HETATM 148 1HB1 AIB A 10 3.506 -0.930 -2.105 1.00 0.00 H HETATM 149 2HB1 AIB A 10 2.925 -1.756 -3.549 1.00 0.00 H HETATM 150 3HB1 AIB A 10 2.139 -0.259 -2.997 1.00 0.00 H HETATM 151 1HB2 AIB A 10 -0.094 -1.249 -2.986 1.00 0.00 H HETATM 152 2HB2 AIB A 10 0.621 -2.731 -3.671 1.00 0.00 H HETATM 153 3HB2 AIB A 10 -0.423 -2.826 -2.239 1.00 0.00 H HETATM 154 H AIB A 10 1.497 -0.294 -0.443 1.00 0.00 H HETATM 155 N HPR A 11 3.282 -3.616 -0.502 1.00 0.00 N HETATM 156 CA HPR A 11 3.706 -4.950 0.015 1.00 0.00 C HETATM 157 C HPR A 11 2.689 -5.737 0.911 1.00 0.00 C HETATM 158 O HPR A 11 2.826 -6.959 1.020 1.00 0.00 O HETATM 159 CB HPR A 11 5.015 -4.616 0.752 1.00 0.00 C HETATM 160 CG HPR A 11 4.854 -3.178 1.252 1.00 0.00 C HETATM 161 CD HPR A 11 3.904 -2.512 0.250 1.00 0.00 C HETATM 162 OD HPR A 11 6.108 -2.512 1.312 1.00 0.00 O HETATM 163 HA HPR A 11 3.956 -5.601 -0.843 1.00 0.00 H HETATM 164 1HB HPR A 11 5.244 -5.316 1.579 1.00 0.00 H HETATM 165 2HB HPR A 11 5.868 -4.681 0.046 1.00 0.00 H HETATM 166 1HD HPR A 11 3.138 -1.935 0.790 1.00 0.00 H HETATM 167 2HD HPR A 11 4.416 -1.808 -0.423 1.00 0.00 H HETATM 168 HOD HPR A 11 6.693 -3.099 1.796 1.00 0.00 H HETATM 169 HG HPR A 11 4.391 -3.183 2.256 1.00 0.00 H ATOM 170 N GLN A 12 1.669 -5.072 1.497 1.00 0.00 N ATOM 171 CA GLN A 12 0.484 -5.720 2.088 1.00 0.00 C ATOM 172 C GLN A 12 -0.699 -6.048 1.108 1.00 0.00 C ATOM 173 O GLN A 12 -1.701 -6.547 1.615 1.00 0.00 O ATOM 174 CB GLN A 12 -0.010 -4.922 3.334 1.00 0.00 C ATOM 175 CG GLN A 12 0.899 -4.945 4.591 1.00 0.00 C ATOM 176 CD GLN A 12 1.918 -3.799 4.680 1.00 0.00 C ATOM 177 OE1 GLN A 12 3.077 -3.945 4.295 1.00 0.00 O ATOM 178 NE2 GLN A 12 1.517 -2.651 5.203 1.00 0.00 N ATOM 179 H GLN A 12 1.624 -4.077 1.328 1.00 0.00 H ATOM 180 HA GLN A 12 0.844 -6.673 2.467 1.00 0.00 H ATOM 181 1HB GLN A 12 -0.273 -3.884 3.052 1.00 0.00 H ATOM 182 2HB GLN A 12 -0.972 -5.353 3.669 1.00 0.00 H ATOM 183 1HG GLN A 12 0.265 -4.939 5.498 1.00 0.00 H ATOM 184 2HG GLN A 12 1.433 -5.911 4.649 1.00 0.00 H ATOM 185 1HE2 GLN A 12 0.538 -2.599 5.507 1.00 0.00 H ATOM 186 2HE2 GLN A 12 2.214 -1.899 5.248 1.00 0.00 H HETATM 187 N AIB A 13 -0.632 -5.833 -0.235 1.00 0.00 N HETATM 188 CA AIB A 13 -1.548 -6.462 -1.253 1.00 0.00 C HETATM 189 C AIB A 13 -1.254 -8.023 -1.438 1.00 0.00 C HETATM 190 O1 AIB A 13 -2.205 -8.803 -1.306 1.00 0.00 O HETATM 191 CB1 AIB A 13 -1.320 -5.709 -2.597 1.00 0.00 C HETATM 192 CB2 AIB A 13 -3.055 -6.167 -0.957 1.00 0.00 C HETATM 193 1HB1 AIB A 13 -0.265 -5.646 -2.905 1.00 0.00 H HETATM 194 2HB1 AIB A 13 -1.861 -6.188 -3.437 1.00 0.00 H HETATM 195 3HB1 AIB A 13 -1.673 -4.660 -2.563 1.00 0.00 H HETATM 196 1HB2 AIB A 13 -3.250 -5.090 -0.784 1.00 0.00 H HETATM 197 2HB2 AIB A 13 -3.713 -6.486 -1.788 1.00 0.00 H HETATM 198 3HB2 AIB A 13 -3.429 -6.705 -0.069 1.00 0.00 H HETATM 199 H AIB A 13 0.268 -5.439 -0.549 1.00 0.00 H HETATM 200 N HPR A 14 -0.014 -8.554 -1.731 1.00 0.00 N HETATM 201 CA HPR A 14 0.239 -10.009 -1.959 1.00 0.00 C HETATM 202 C HPR A 14 0.117 -10.948 -0.718 1.00 0.00 C HETATM 203 O HPR A 14 -0.505 -12.006 -0.843 1.00 0.00 O HETATM 204 CB HPR A 14 1.652 -10.023 -2.579 1.00 0.00 C HETATM 205 CG HPR A 14 2.338 -8.801 -1.975 1.00 0.00 C HETATM 206 CD HPR A 14 1.223 -7.764 -1.913 1.00 0.00 C HETATM 207 OD HPR A 14 3.432 -8.347 -2.766 1.00 0.00 O HETATM 208 HA HPR A 14 -0.467 -10.378 -2.729 1.00 0.00 H HETATM 209 1HB HPR A 14 2.217 -10.954 -2.384 1.00 0.00 H HETATM 210 2HB HPR A 14 1.584 -9.927 -3.678 1.00 0.00 H HETATM 211 1HD HPR A 14 1.414 -7.076 -1.081 1.00 0.00 H HETATM 212 2HD HPR A 14 1.178 -7.160 -2.832 1.00 0.00 H HETATM 213 HOD HPR A 14 3.051 -7.991 -3.573 1.00 0.00 H HETATM 214 HG HPR A 14 2.677 -9.030 -0.941 1.00 0.00 H HETATM 215 N AIB A 15 0.709 -10.580 0.450 1.00 0.00 N HETATM 216 CA AIB A 15 0.625 -11.345 1.736 1.00 0.00 C HETATM 217 C AIB A 15 -0.853 -11.798 2.138 1.00 0.00 C HETATM 218 O1 AIB A 15 -1.041 -12.995 2.386 1.00 0.00 O HETATM 219 CB1 AIB A 15 1.261 -10.444 2.833 1.00 0.00 C HETATM 220 CB2 AIB A 15 1.589 -12.566 1.615 1.00 0.00 C HETATM 221 1HB1 AIB A 15 0.792 -9.451 2.916 1.00 0.00 H HETATM 222 2HB1 AIB A 15 1.203 -10.907 3.835 1.00 0.00 H HETATM 223 3HB1 AIB A 15 2.334 -10.240 2.647 1.00 0.00 H HETATM 224 1HB2 AIB A 15 2.613 -12.275 1.312 1.00 0.00 H HETATM 225 2HB2 AIB A 15 1.684 -13.114 2.572 1.00 0.00 H HETATM 226 3HB2 AIB A 15 1.234 -13.301 0.868 1.00 0.00 H HETATM 227 H AIB A 15 1.178 -9.669 0.409 1.00 0.00 H ATOM 228 N PRO A 16 -1.943 -10.962 2.150 1.00 0.00 N ATOM 229 CA PRO A 16 -3.344 -11.450 2.256 1.00 0.00 C ATOM 230 C PRO A 16 -3.956 -12.066 0.958 1.00 0.00 C ATOM 231 O PRO A 16 -4.633 -13.091 1.085 1.00 0.00 O ATOM 232 CB PRO A 16 -4.099 -10.204 2.754 1.00 0.00 C ATOM 233 CG PRO A 16 -3.330 -9.022 2.172 1.00 0.00 C ATOM 234 CD PRO A 16 -1.875 -9.492 2.097 1.00 0.00 C ATOM 235 HA PRO A 16 -3.406 -12.216 3.055 1.00 0.00 H ATOM 236 1HB PRO A 16 -5.168 -10.188 2.468 1.00 0.00 H ATOM 237 2HB PRO A 16 -4.070 -10.159 3.860 1.00 0.00 H ATOM 238 1HG PRO A 16 -3.705 -8.791 1.156 1.00 0.00 H ATOM 239 2HG PRO A 16 -3.452 -8.106 2.780 1.00 0.00 H ATOM 240 1HD PRO A 16 -1.400 -9.132 1.172 1.00 0.00 H ATOM 241 2HD PRO A 16 -1.286 -9.087 2.937 1.00 0.00 H HETATM 242 N PHL A 17 -3.782 -11.464 -0.249 1.00 0.00 N HETATM 243 CA PHL A 17 -4.490 -11.924 -1.476 1.00 0.00 C HETATM 244 C PHL A 17 -3.499 -12.070 -2.654 1.00 0.00 C HETATM 245 O PHL A 17 -2.998 -10.818 -3.107 1.00 0.00 O HETATM 246 CB PHL A 17 -5.688 -10.993 -1.819 1.00 0.00 C HETATM 247 CG PHL A 17 -6.863 -11.039 -0.823 1.00 0.00 C HETATM 248 CD1 PHL A 17 -7.056 -10.001 0.097 1.00 0.00 C HETATM 249 CD2 PHL A 17 -7.727 -12.142 -0.802 1.00 0.00 C HETATM 250 CE1 PHL A 17 -8.089 -10.072 1.029 1.00 0.00 C HETATM 251 CE2 PHL A 17 -8.757 -12.209 0.132 1.00 0.00 C HETATM 252 CZ PHL A 17 -8.939 -11.174 1.045 1.00 0.00 C HETATM 253 H1 PHL A 17 -3.998 -12.579 -3.499 1.00 0.00 H HETATM 254 H2 PHL A 17 -2.653 -12.726 -2.378 1.00 0.00 H HETATM 255 HO PHL A 17 -2.547 -10.425 -2.357 1.00 0.00 H HETATM 256 HA PHL A 17 -4.895 -12.946 -1.327 1.00 0.00 H HETATM 257 1HB PHL A 17 -5.326 -9.953 -1.946 1.00 0.00 H HETATM 258 2HB PHL A 17 -6.078 -11.259 -2.820 1.00 0.00 H HETATM 259 HD1 PHL A 17 -6.396 -9.146 0.107 1.00 0.00 H HETATM 260 HD2 PHL A 17 -7.590 -12.958 -1.498 1.00 0.00 H HETATM 261 HE1 PHL A 17 -8.226 -9.275 1.745 1.00 0.00 H HETATM 262 HE2 PHL A 17 -9.412 -13.069 0.151 1.00 0.00 H HETATM 263 HZ PHL A 17 -9.739 -11.230 1.771 1.00 0.00 H HETATM 264 H PHL A 17 -3.234 -10.591 -0.255 1.00 0.00 H TER 265 PHL A 17 HETATM 266 C ACE A 1 -1.770 10.330 1.336 1.00 0.00 C HETATM 267 O ACE A 1 -1.687 9.279 1.977 1.00 0.00 O HETATM 268 CH3 ACE A 1 -0.801 11.476 1.594 1.00 0.00 C HETATM 269 H1 ACE A 1 -1.330 12.420 1.815 1.00 0.00 H HETATM 270 H2 ACE A 1 -0.130 11.247 2.442 1.00 0.00 H HETATM 271 H3 ACE A 1 -0.157 11.642 0.709 1.00 0.00 H ENDMDL MODEL 8 ATOM 1 N TRP A 2 -2.904 10.387 0.602 1.00 0.00 N ATOM 2 CA TRP A 2 -3.554 9.251 -0.101 1.00 0.00 C ATOM 3 C TRP A 2 -2.602 8.430 -1.044 1.00 0.00 C ATOM 4 O TRP A 2 -2.817 7.226 -1.213 1.00 0.00 O ATOM 5 CB TRP A 2 -4.828 9.773 -0.820 1.00 0.00 C ATOM 6 CG TRP A 2 -5.773 8.677 -1.335 1.00 0.00 C ATOM 7 CD1 TRP A 2 -6.564 7.822 -0.535 1.00 0.00 C ATOM 8 CD2 TRP A 2 -6.036 8.307 -2.642 1.00 0.00 C ATOM 9 NE1 TRP A 2 -7.313 6.922 -1.313 1.00 0.00 N ATOM 10 CE2 TRP A 2 -6.977 7.246 -2.617 1.00 0.00 C ATOM 11 CE3 TRP A 2 -5.550 8.807 -3.878 1.00 0.00 C ATOM 12 CZ2 TRP A 2 -7.448 6.686 -3.829 1.00 0.00 C ATOM 13 CZ3 TRP A 2 -6.027 8.236 -5.059 1.00 0.00 C ATOM 14 CH2 TRP A 2 -6.963 7.193 -5.037 1.00 0.00 C ATOM 15 H TRP A 2 -3.013 11.343 0.261 1.00 0.00 H ATOM 16 HA TRP A 2 -3.903 8.574 0.694 1.00 0.00 H ATOM 17 1HB TRP A 2 -5.417 10.411 -0.130 1.00 0.00 H ATOM 18 2HB TRP A 2 -4.544 10.449 -1.648 1.00 0.00 H ATOM 19 HD1 TRP A 2 -6.588 7.851 0.545 1.00 0.00 H ATOM 20 HE1 TRP A 2 -7.959 6.193 -0.988 1.00 0.00 H ATOM 21 HE3 TRP A 2 -4.832 9.614 -3.911 1.00 0.00 H ATOM 22 HZ2 TRP A 2 -8.168 5.880 -3.824 1.00 0.00 H ATOM 23 HZ3 TRP A 2 -5.670 8.608 -6.009 1.00 0.00 H ATOM 24 HH2 TRP A 2 -7.313 6.775 -5.967 1.00 0.00 H ATOM 25 N ILE A 3 -1.548 9.048 -1.628 1.00 0.00 N ATOM 26 CA ILE A 3 -0.473 8.317 -2.366 1.00 0.00 C ATOM 27 C ILE A 3 0.405 7.413 -1.438 1.00 0.00 C ATOM 28 O ILE A 3 0.688 6.275 -1.819 1.00 0.00 O ATOM 29 CB ILE A 3 0.328 9.259 -3.344 1.00 0.00 C ATOM 30 CG1 ILE A 3 -0.601 9.928 -4.410 1.00 0.00 C ATOM 31 CG2 ILE A 3 1.498 8.531 -4.066 1.00 0.00 C ATOM 32 CD1 ILE A 3 0.021 11.047 -5.262 1.00 0.00 C ATOM 33 H ILE A 3 -1.464 10.048 -1.411 1.00 0.00 H ATOM 34 HA ILE A 3 -1.002 7.606 -3.008 1.00 0.00 H ATOM 35 HB ILE A 3 0.777 10.064 -2.730 1.00 0.00 H ATOM 36 1HG1 ILE A 3 -1.024 9.155 -5.081 1.00 0.00 H ATOM 37 2HG1 ILE A 3 -1.481 10.375 -3.912 1.00 0.00 H ATOM 38 1HG2 ILE A 3 1.144 7.690 -4.693 1.00 0.00 H ATOM 39 2HG2 ILE A 3 2.075 9.210 -4.720 1.00 0.00 H ATOM 40 3HG2 ILE A 3 2.232 8.117 -3.353 1.00 0.00 H ATOM 41 1HD1 ILE A 3 0.806 10.669 -5.939 1.00 0.00 H ATOM 42 2HD1 ILE A 3 -0.745 11.527 -5.900 1.00 0.00 H ATOM 43 3HD1 ILE A 3 0.471 11.838 -4.634 1.00 0.00 H ATOM 44 N GLN A 4 0.813 7.893 -0.249 1.00 0.00 N ATOM 45 CA GLN A 4 1.486 7.048 0.778 1.00 0.00 C ATOM 46 C GLN A 4 0.590 6.021 1.525 1.00 0.00 C ATOM 47 O GLN A 4 1.124 4.965 1.867 1.00 0.00 O ATOM 48 CB GLN A 4 2.336 7.884 1.769 1.00 0.00 C ATOM 49 CG GLN A 4 3.646 8.454 1.174 1.00 0.00 C ATOM 50 CD GLN A 4 4.734 7.418 0.822 1.00 0.00 C ATOM 51 OE1 GLN A 4 4.969 6.449 1.544 1.00 0.00 O ATOM 52 NE2 GLN A 4 5.430 7.606 -0.288 1.00 0.00 N ATOM 53 H GLN A 4 0.466 8.834 -0.060 1.00 0.00 H ATOM 54 HA GLN A 4 2.204 6.425 0.224 1.00 0.00 H ATOM 55 1HB GLN A 4 1.724 8.708 2.186 1.00 0.00 H ATOM 56 2HB GLN A 4 2.612 7.271 2.650 1.00 0.00 H ATOM 57 1HG GLN A 4 3.387 9.065 0.290 1.00 0.00 H ATOM 58 2HG GLN A 4 4.079 9.153 1.908 1.00 0.00 H ATOM 59 1HE2 GLN A 4 5.194 8.431 -0.849 1.00 0.00 H ATOM 60 2HE2 GLN A 4 6.160 6.913 -0.490 1.00 0.00 H HETATM 61 N DIV A 5 -0.732 6.250 1.734 1.00 0.00 N HETATM 62 CA DIV A 5 -1.732 5.170 2.067 1.00 0.00 C HETATM 63 CB1 DIV A 5 -1.527 4.760 3.574 1.00 0.00 C HETATM 64 CG1 DIV A 5 -2.569 3.838 4.242 1.00 0.00 C HETATM 65 CB2 DIV A 5 -3.131 5.842 1.937 1.00 0.00 C HETATM 66 C DIV A 5 -1.628 3.959 1.042 1.00 0.00 C HETATM 67 O DIV A 5 -1.440 2.812 1.449 1.00 0.00 O HETATM 68 1HB1 DIV A 5 -0.543 4.272 3.688 1.00 0.00 H HETATM 69 2HB1 DIV A 5 -1.453 5.668 4.205 1.00 0.00 H HETATM 70 1HG1 DIV A 5 -2.734 2.908 3.669 1.00 0.00 H HETATM 71 2HG1 DIV A 5 -2.247 3.543 5.255 1.00 0.00 H HETATM 72 3HG1 DIV A 5 -3.549 4.335 4.350 1.00 0.00 H HETATM 73 1HB2 DIV A 5 -3.348 6.187 0.915 1.00 0.00 H HETATM 74 2HB2 DIV A 5 -3.951 5.145 2.190 1.00 0.00 H HETATM 75 3HB2 DIV A 5 -3.246 6.719 2.602 1.00 0.00 H HETATM 76 H DIV A 5 -1.050 7.176 1.423 1.00 0.00 H ATOM 77 N ILE A 6 -1.644 4.235 -0.289 1.00 0.00 N ATOM 78 CA ILE A 6 -1.427 3.232 -1.368 1.00 0.00 C ATOM 79 C ILE A 6 -0.005 2.584 -1.321 1.00 0.00 C ATOM 80 O ILE A 6 0.054 1.364 -1.181 1.00 0.00 O ATOM 81 CB ILE A 6 -1.838 3.827 -2.773 1.00 0.00 C ATOM 82 CG1 ILE A 6 -3.338 4.256 -2.855 1.00 0.00 C ATOM 83 CG2 ILE A 6 -1.532 2.865 -3.954 1.00 0.00 C ATOM 84 CD1 ILE A 6 -3.678 5.251 -3.980 1.00 0.00 C ATOM 85 H ILE A 6 -1.946 5.181 -0.534 1.00 0.00 H ATOM 86 HA ILE A 6 -2.131 2.413 -1.150 1.00 0.00 H ATOM 87 HB ILE A 6 -1.220 4.732 -2.932 1.00 0.00 H ATOM 88 1HG1 ILE A 6 -3.987 3.364 -2.945 1.00 0.00 H ATOM 89 2HG1 ILE A 6 -3.658 4.734 -1.912 1.00 0.00 H ATOM 90 1HG2 ILE A 6 -2.065 1.902 -3.848 1.00 0.00 H ATOM 91 2HG2 ILE A 6 -1.816 3.293 -4.932 1.00 0.00 H ATOM 92 3HG2 ILE A 6 -0.454 2.636 -4.030 1.00 0.00 H ATOM 93 1HD1 ILE A 6 -3.458 4.848 -4.985 1.00 0.00 H ATOM 94 2HD1 ILE A 6 -4.753 5.500 -3.966 1.00 0.00 H ATOM 95 3HD1 ILE A 6 -3.123 6.201 -3.871 1.00 0.00 H ATOM 96 N THR A 7 1.104 3.340 -1.444 1.00 0.00 N ATOM 97 CA THR A 7 2.487 2.762 -1.519 1.00 0.00 C ATOM 98 C THR A 7 2.950 1.947 -0.265 1.00 0.00 C ATOM 99 O THR A 7 3.506 0.861 -0.436 1.00 0.00 O ATOM 100 CB THR A 7 3.557 3.807 -1.960 1.00 0.00 C ATOM 101 OG1 THR A 7 3.625 4.883 -1.036 1.00 0.00 O ATOM 102 CG2 THR A 7 3.353 4.388 -3.373 1.00 0.00 C ATOM 103 H THR A 7 0.927 4.343 -1.568 1.00 0.00 H ATOM 104 HA THR A 7 2.457 2.023 -2.346 1.00 0.00 H ATOM 105 HB THR A 7 4.548 3.315 -1.967 1.00 0.00 H ATOM 106 HG1 THR A 7 2.760 5.302 -1.055 1.00 0.00 H ATOM 107 1HG2 THR A 7 4.131 5.135 -3.618 1.00 0.00 H ATOM 108 2HG2 THR A 7 3.406 3.601 -4.148 1.00 0.00 H ATOM 109 3HG2 THR A 7 2.375 4.893 -3.481 1.00 0.00 H HETATM 110 N AIB A 8 2.683 2.427 0.970 1.00 0.00 N HETATM 111 CA AIB A 8 2.785 1.626 2.241 1.00 0.00 C HETATM 112 C AIB A 8 1.893 0.321 2.282 1.00 0.00 C HETATM 113 O1 AIB A 8 2.295 -0.692 2.867 1.00 0.00 O HETATM 114 CB1 AIB A 8 2.279 2.540 3.388 1.00 0.00 C HETATM 115 CB2 AIB A 8 4.284 1.323 2.546 1.00 0.00 C HETATM 116 1HB1 AIB A 8 1.208 2.790 3.274 1.00 0.00 H HETATM 117 2HB1 AIB A 8 2.378 2.059 4.381 1.00 0.00 H HETATM 118 3HB1 AIB A 8 2.828 3.499 3.448 1.00 0.00 H HETATM 119 1HB2 AIB A 8 4.912 2.233 2.532 1.00 0.00 H HETATM 120 2HB2 AIB A 8 4.423 0.856 3.540 1.00 0.00 H HETATM 121 3HB2 AIB A 8 4.723 0.620 1.814 1.00 0.00 H HETATM 122 H AIB A 8 2.114 3.278 0.926 1.00 0.00 H ATOM 123 N LEU A 9 0.683 0.336 1.670 1.00 0.00 N ATOM 124 CA LEU A 9 -0.116 -0.879 1.407 1.00 0.00 C ATOM 125 C LEU A 9 0.351 -1.740 0.194 1.00 0.00 C ATOM 126 O LEU A 9 -0.063 -2.900 0.157 1.00 0.00 O ATOM 127 CB LEU A 9 -1.611 -0.483 1.228 1.00 0.00 C ATOM 128 CG LEU A 9 -2.427 -0.144 2.507 1.00 0.00 C ATOM 129 CD1 LEU A 9 -3.815 0.403 2.116 1.00 0.00 C ATOM 130 CD2 LEU A 9 -2.608 -1.348 3.457 1.00 0.00 C ATOM 131 H LEU A 9 0.453 1.167 1.119 1.00 0.00 H ATOM 132 HA LEU A 9 -0.037 -1.526 2.293 1.00 0.00 H ATOM 133 1HB LEU A 9 -1.677 0.357 0.510 1.00 0.00 H ATOM 134 2HB LEU A 9 -2.140 -1.296 0.705 1.00 0.00 H ATOM 135 HG LEU A 9 -1.897 0.652 3.063 1.00 0.00 H ATOM 136 1HD1 LEU A 9 -4.419 -0.352 1.576 1.00 0.00 H ATOM 137 2HD1 LEU A 9 -4.397 0.715 3.003 1.00 0.00 H ATOM 138 3HD1 LEU A 9 -3.737 1.289 1.458 1.00 0.00 H ATOM 139 1HD2 LEU A 9 -1.646 -1.711 3.859 1.00 0.00 H ATOM 140 2HD2 LEU A 9 -3.233 -1.088 4.331 1.00 0.00 H ATOM 141 3HD2 LEU A 9 -3.095 -2.203 2.951 1.00 0.00 H HETATM 142 N AIB A 10 1.170 -1.246 -0.779 1.00 0.00 N HETATM 143 CA AIB A 10 1.689 -2.062 -1.934 1.00 0.00 C HETATM 144 C AIB A 10 2.370 -3.449 -1.524 1.00 0.00 C HETATM 145 O1 AIB A 10 1.959 -4.481 -2.071 1.00 0.00 O HETATM 146 CB1 AIB A 10 2.692 -1.211 -2.760 1.00 0.00 C HETATM 147 CB2 AIB A 10 0.479 -2.265 -2.891 1.00 0.00 C HETATM 148 1HB1 AIB A 10 3.594 -0.927 -2.195 1.00 0.00 H HETATM 149 2HB1 AIB A 10 3.055 -1.757 -3.653 1.00 0.00 H HETATM 150 3HB1 AIB A 10 2.245 -0.265 -3.128 1.00 0.00 H HETATM 151 1HB2 AIB A 10 0.014 -1.305 -3.192 1.00 0.00 H HETATM 152 2HB2 AIB A 10 0.766 -2.796 -3.816 1.00 0.00 H HETATM 153 3HB2 AIB A 10 -0.317 -2.866 -2.417 1.00 0.00 H HETATM 154 H AIB A 10 1.483 -0.271 -0.611 1.00 0.00 H HETATM 155 N HPR A 11 3.347 -3.580 -0.562 1.00 0.00 N HETATM 156 CA HPR A 11 3.792 -4.903 -0.030 1.00 0.00 C HETATM 157 C HPR A 11 2.770 -5.711 0.844 1.00 0.00 C HETATM 158 O HPR A 11 2.949 -6.920 1.009 1.00 0.00 O HETATM 159 CB HPR A 11 5.059 -4.514 0.752 1.00 0.00 C HETATM 160 CG HPR A 11 4.787 -3.110 1.294 1.00 0.00 C HETATM 161 CD HPR A 11 3.885 -2.464 0.238 1.00 0.00 C HETATM 162 OD HPR A 11 5.991 -2.380 1.481 1.00 0.00 O HETATM 163 HA HPR A 11 4.091 -5.554 -0.874 1.00 0.00 H HETATM 164 1HB HPR A 11 5.306 -5.225 1.560 1.00 0.00 H HETATM 165 2HB HPR A 11 5.932 -4.497 0.070 1.00 0.00 H HETATM 166 1HD HPR A 11 3.076 -1.912 0.736 1.00 0.00 H HETATM 167 2HD HPR A 11 4.414 -1.743 -0.401 1.00 0.00 H HETATM 168 HOD HPR A 11 6.523 -2.903 2.085 1.00 0.00 H HETATM 169 HG HPR A 11 4.244 -3.181 2.257 1.00 0.00 H ATOM 170 N GLN A 12 1.707 -5.062 1.360 1.00 0.00 N ATOM 171 CA GLN A 12 0.521 -5.708 1.949 1.00 0.00 C ATOM 172 C GLN A 12 -0.673 -5.988 0.967 1.00 0.00 C ATOM 173 O GLN A 12 -1.728 -6.371 1.469 1.00 0.00 O ATOM 174 CB GLN A 12 0.071 -4.894 3.199 1.00 0.00 C ATOM 175 CG GLN A 12 1.065 -4.903 4.385 1.00 0.00 C ATOM 176 CD GLN A 12 0.579 -4.076 5.584 1.00 0.00 C ATOM 177 OE1 GLN A 12 0.555 -2.847 5.545 1.00 0.00 O ATOM 178 NE2 GLN A 12 0.184 -4.726 6.668 1.00 0.00 N ATOM 179 H GLN A 12 1.660 -4.072 1.173 1.00 0.00 H ATOM 180 HA GLN A 12 0.860 -6.673 2.310 1.00 0.00 H ATOM 181 1HB GLN A 12 -0.164 -3.852 2.905 1.00 0.00 H ATOM 182 2HB GLN A 12 -0.886 -5.303 3.578 1.00 0.00 H ATOM 183 1HG GLN A 12 1.276 -5.951 4.678 1.00 0.00 H ATOM 184 2HG GLN A 12 2.041 -4.493 4.061 1.00 0.00 H ATOM 185 1HE2 GLN A 12 0.278 -5.748 6.651 1.00 0.00 H ATOM 186 2HE2 GLN A 12 -0.167 -4.154 7.445 1.00 0.00 H HETATM 187 N AIB A 13 -0.541 -5.866 -0.385 1.00 0.00 N HETATM 188 CA AIB A 13 -1.426 -6.536 -1.403 1.00 0.00 C HETATM 189 C AIB A 13 -1.155 -8.110 -1.473 1.00 0.00 C HETATM 190 O1 AIB A 13 -2.129 -8.862 -1.356 1.00 0.00 O HETATM 191 CB1 AIB A 13 -1.111 -5.870 -2.774 1.00 0.00 C HETATM 192 CB2 AIB A 13 -2.940 -6.196 -1.194 1.00 0.00 C HETATM 193 1HB1 AIB A 13 -0.038 -5.865 -3.031 1.00 0.00 H HETATM 194 2HB1 AIB A 13 -1.628 -6.376 -3.611 1.00 0.00 H HETATM 195 3HB1 AIB A 13 -1.423 -4.811 -2.811 1.00 0.00 H HETATM 196 1HB2 AIB A 13 -3.118 -5.109 -1.100 1.00 0.00 H HETATM 197 2HB2 AIB A 13 -3.571 -6.558 -2.028 1.00 0.00 H HETATM 198 3HB2 AIB A 13 -3.362 -6.664 -0.288 1.00 0.00 H HETATM 199 H AIB A 13 0.390 -5.536 -0.689 1.00 0.00 H HETATM 200 N HPR A 14 0.090 -8.682 -1.642 1.00 0.00 N HETATM 201 CA HPR A 14 0.327 -10.157 -1.723 1.00 0.00 C HETATM 202 C HPR A 14 0.129 -10.989 -0.417 1.00 0.00 C HETATM 203 O HPR A 14 -0.451 -12.074 -0.497 1.00 0.00 O HETATM 204 CB HPR A 14 1.775 -10.247 -2.248 1.00 0.00 C HETATM 205 CG HPR A 14 2.438 -8.983 -1.703 1.00 0.00 C HETATM 206 CD HPR A 14 1.347 -7.928 -1.834 1.00 0.00 C HETATM 207 OD HPR A 14 3.600 -8.626 -2.437 1.00 0.00 O HETATM 208 HA HPR A 14 -0.339 -10.588 -2.496 1.00 0.00 H HETATM 209 1HB HPR A 14 2.310 -11.165 -1.940 1.00 0.00 H HETATM 210 2HB HPR A 14 1.779 -10.243 -3.356 1.00 0.00 H HETATM 211 1HD HPR A 14 1.506 -7.149 -1.081 1.00 0.00 H HETATM 212 2HD HPR A 14 1.365 -7.429 -2.817 1.00 0.00 H HETATM 213 HOD HPR A 14 3.296 -8.417 -3.323 1.00 0.00 H HETATM 214 HG HPR A 14 2.672 -9.118 -0.625 1.00 0.00 H HETATM 215 N AIB A 15 0.610 -10.508 0.758 1.00 0.00 N HETATM 216 CA AIB A 15 0.405 -11.149 2.098 1.00 0.00 C HETATM 217 C AIB A 15 -1.102 -11.584 2.389 1.00 0.00 C HETATM 218 O1 AIB A 15 -1.310 -12.758 2.725 1.00 0.00 O HETATM 219 CB1 AIB A 15 0.921 -10.135 3.158 1.00 0.00 C HETATM 220 CB2 AIB A 15 1.387 -12.358 2.190 1.00 0.00 C HETATM 221 1HB1 AIB A 15 0.436 -9.145 3.097 1.00 0.00 H HETATM 222 2HB1 AIB A 15 0.763 -10.501 4.191 1.00 0.00 H HETATM 223 3HB1 AIB A 15 2.004 -9.926 3.061 1.00 0.00 H HETATM 224 1HB2 AIB A 15 2.434 -12.078 1.968 1.00 0.00 H HETATM 225 2HB2 AIB A 15 1.389 -12.814 3.200 1.00 0.00 H HETATM 226 3HB2 AIB A 15 1.117 -13.165 1.484 1.00 0.00 H HETATM 227 H AIB A 15 1.075 -9.597 0.672 1.00 0.00 H ATOM 228 N PRO A 16 -2.191 -10.768 2.202 1.00 0.00 N ATOM 229 CA PRO A 16 -3.592 -11.270 2.176 1.00 0.00 C ATOM 230 C PRO A 16 -4.012 -12.030 0.872 1.00 0.00 C ATOM 231 O PRO A 16 -4.585 -13.115 1.004 1.00 0.00 O ATOM 232 CB PRO A 16 -4.411 -9.997 2.453 1.00 0.00 C ATOM 233 CG PRO A 16 -3.580 -8.854 1.875 1.00 0.00 C ATOM 234 CD PRO A 16 -2.123 -9.306 2.024 1.00 0.00 C ATOM 235 HA PRO A 16 -3.749 -11.956 3.031 1.00 0.00 H ATOM 236 1HB PRO A 16 -5.433 -10.023 2.029 1.00 0.00 H ATOM 237 2HB PRO A 16 -4.530 -9.851 3.544 1.00 0.00 H ATOM 238 1HG PRO A 16 -3.827 -8.720 0.804 1.00 0.00 H ATOM 239 2HG PRO A 16 -3.781 -7.888 2.375 1.00 0.00 H ATOM 240 1HD PRO A 16 -1.539 -9.021 1.137 1.00 0.00 H ATOM 241 2HD PRO A 16 -1.637 -8.817 2.883 1.00 0.00 H HETATM 242 N PHL A 17 -3.775 -11.484 -0.349 1.00 0.00 N HETATM 243 CA PHL A 17 -4.255 -12.107 -1.613 1.00 0.00 C HETATM 244 C PHL A 17 -3.153 -12.077 -2.695 1.00 0.00 C HETATM 245 O PHL A 17 -2.911 -10.771 -3.205 1.00 0.00 O HETATM 246 CB PHL A 17 -5.570 -11.427 -2.090 1.00 0.00 C HETATM 247 CG PHL A 17 -6.847 -11.964 -1.417 1.00 0.00 C HETATM 248 CD1 PHL A 17 -7.450 -13.130 -1.902 1.00 0.00 C HETATM 249 CD2 PHL A 17 -7.400 -11.318 -0.305 1.00 0.00 C HETATM 250 CE1 PHL A 17 -8.580 -13.651 -1.277 1.00 0.00 C HETATM 251 CE2 PHL A 17 -8.530 -11.844 0.322 1.00 0.00 C HETATM 252 CZ PHL A 17 -9.118 -13.008 -0.165 1.00 0.00 C HETATM 253 H1 PHL A 17 -3.445 -12.731 -3.536 1.00 0.00 H HETATM 254 H2 PHL A 17 -2.210 -12.508 -2.313 1.00 0.00 H HETATM 255 HO PHL A 17 -2.652 -10.233 -2.451 1.00 0.00 H HETATM 256 HA PHL A 17 -4.455 -13.185 -1.454 1.00 0.00 H HETATM 257 1HB PHL A 17 -5.503 -10.327 -1.981 1.00 0.00 H HETATM 258 2HB PHL A 17 -5.680 -11.567 -3.182 1.00 0.00 H HETATM 259 HD1 PHL A 17 -7.039 -13.645 -2.759 1.00 0.00 H HETATM 260 HD2 PHL A 17 -6.948 -10.418 0.088 1.00 0.00 H HETATM 261 HE1 PHL A 17 -9.033 -14.557 -1.651 1.00 0.00 H HETATM 262 HE2 PHL A 17 -8.945 -11.350 1.188 1.00 0.00 H HETATM 263 HZ PHL A 17 -9.991 -13.417 0.321 1.00 0.00 H HETATM 264 H PHL A 17 -3.330 -10.556 -0.365 1.00 0.00 H TER 265 PHL A 17 HETATM 266 C ACE A 1 -1.999 10.217 1.576 1.00 0.00 C HETATM 267 O ACE A 1 -1.815 9.152 2.167 1.00 0.00 O HETATM 268 CH3 ACE A 1 -1.116 11.425 1.854 1.00 0.00 C HETATM 269 H1 ACE A 1 -1.710 12.338 2.041 1.00 0.00 H HETATM 270 H2 ACE A 1 -0.467 11.248 2.731 1.00 0.00 H HETATM 271 H3 ACE A 1 -0.451 11.618 0.991 1.00 0.00 H ENDMDL MODEL 9 ATOM 1 N TRP A 2 -2.907 10.571 0.331 1.00 0.00 N ATOM 2 CA TRP A 2 -3.483 9.395 -0.377 1.00 0.00 C ATOM 3 C TRP A 2 -2.455 8.518 -1.174 1.00 0.00 C ATOM 4 O TRP A 2 -2.616 7.296 -1.239 1.00 0.00 O ATOM 5 CB TRP A 2 -4.730 9.802 -1.212 1.00 0.00 C ATOM 6 CG TRP A 2 -4.509 10.554 -2.538 1.00 0.00 C ATOM 7 CD1 TRP A 2 -4.468 9.954 -3.816 1.00 0.00 C ATOM 8 CD2 TRP A 2 -4.352 11.913 -2.763 1.00 0.00 C ATOM 9 NE1 TRP A 2 -4.287 10.904 -4.837 1.00 0.00 N ATOM 10 CE2 TRP A 2 -4.217 12.111 -4.162 1.00 0.00 C ATOM 11 CE3 TRP A 2 -4.328 13.020 -1.878 1.00 0.00 C ATOM 12 CZ2 TRP A 2 -4.061 13.419 -4.684 1.00 0.00 C ATOM 13 CZ3 TRP A 2 -4.163 14.298 -2.414 1.00 0.00 C ATOM 14 CH2 TRP A 2 -4.033 14.495 -3.794 1.00 0.00 C ATOM 15 H TRP A 2 -3.042 11.519 -0.027 1.00 0.00 H ATOM 16 HA TRP A 2 -3.882 8.751 0.425 1.00 0.00 H ATOM 17 1HB TRP A 2 -5.307 8.884 -1.430 1.00 0.00 H ATOM 18 2HB TRP A 2 -5.420 10.393 -0.578 1.00 0.00 H ATOM 19 HD1 TRP A 2 -4.579 8.894 -3.993 1.00 0.00 H ATOM 20 HE1 TRP A 2 -4.250 10.741 -5.850 1.00 0.00 H ATOM 21 HE3 TRP A 2 -4.433 12.885 -0.812 1.00 0.00 H ATOM 22 HZ2 TRP A 2 -3.969 13.587 -5.748 1.00 0.00 H ATOM 23 HZ3 TRP A 2 -4.133 15.151 -1.752 1.00 0.00 H ATOM 24 HH2 TRP A 2 -3.913 15.498 -4.178 1.00 0.00 H ATOM 25 N ILE A 3 -1.403 9.138 -1.749 1.00 0.00 N ATOM 26 CA ILE A 3 -0.256 8.420 -2.375 1.00 0.00 C ATOM 27 C ILE A 3 0.675 7.632 -1.394 1.00 0.00 C ATOM 28 O ILE A 3 1.122 6.534 -1.740 1.00 0.00 O ATOM 29 CB ILE A 3 0.518 9.328 -3.396 1.00 0.00 C ATOM 30 CG1 ILE A 3 1.158 10.602 -2.761 1.00 0.00 C ATOM 31 CG2 ILE A 3 -0.369 9.669 -4.624 1.00 0.00 C ATOM 32 CD1 ILE A 3 2.140 11.376 -3.652 1.00 0.00 C ATOM 33 H ILE A 3 -1.387 10.155 -1.617 1.00 0.00 H ATOM 34 HA ILE A 3 -0.719 7.623 -2.972 1.00 0.00 H ATOM 35 HB ILE A 3 1.349 8.714 -3.795 1.00 0.00 H ATOM 36 1HG1 ILE A 3 0.367 11.292 -2.413 1.00 0.00 H ATOM 37 2HG1 ILE A 3 1.708 10.315 -1.846 1.00 0.00 H ATOM 38 1HG2 ILE A 3 -1.203 10.345 -4.360 1.00 0.00 H ATOM 39 2HG2 ILE A 3 0.205 10.159 -5.430 1.00 0.00 H ATOM 40 3HG2 ILE A 3 -0.820 8.763 -5.068 1.00 0.00 H ATOM 41 1HD1 ILE A 3 1.636 11.828 -4.527 1.00 0.00 H ATOM 42 2HD1 ILE A 3 2.614 12.203 -3.091 1.00 0.00 H ATOM 43 3HD1 ILE A 3 2.952 10.727 -4.030 1.00 0.00 H ATOM 44 N GLN A 4 0.933 8.161 -0.184 1.00 0.00 N ATOM 45 CA GLN A 4 1.597 7.412 0.922 1.00 0.00 C ATOM 46 C GLN A 4 0.753 6.265 1.548 1.00 0.00 C ATOM 47 O GLN A 4 1.313 5.193 1.789 1.00 0.00 O ATOM 48 CB GLN A 4 2.078 8.404 2.013 1.00 0.00 C ATOM 49 CG GLN A 4 3.365 9.182 1.644 1.00 0.00 C ATOM 50 CD GLN A 4 3.223 10.709 1.756 1.00 0.00 C ATOM 51 OE1 GLN A 4 2.596 11.356 0.917 1.00 0.00 O ATOM 52 NE2 GLN A 4 3.795 11.312 2.786 1.00 0.00 N ATOM 53 H GLN A 4 0.470 9.059 -0.029 1.00 0.00 H ATOM 54 HA GLN A 4 2.495 6.933 0.492 1.00 0.00 H ATOM 55 1HB GLN A 4 1.248 9.085 2.292 1.00 0.00 H ATOM 56 2HB GLN A 4 2.292 7.860 2.953 1.00 0.00 H ATOM 57 1HG GLN A 4 4.197 8.801 2.270 1.00 0.00 H ATOM 58 2HG GLN A 4 3.681 8.939 0.611 1.00 0.00 H ATOM 59 1HE2 GLN A 4 4.290 10.712 3.454 1.00 0.00 H ATOM 60 2HE2 GLN A 4 3.693 12.333 2.830 1.00 0.00 H HETATM 61 N DIV A 5 -0.565 6.469 1.789 1.00 0.00 N HETATM 62 CA DIV A 5 -1.545 5.401 2.182 1.00 0.00 C HETATM 63 CB1 DIV A 5 -1.310 5.071 3.705 1.00 0.00 C HETATM 64 CG1 DIV A 5 -2.326 4.159 4.429 1.00 0.00 C HETATM 65 CB2 DIV A 5 -2.944 6.066 2.040 1.00 0.00 C HETATM 66 C DIV A 5 -1.469 4.143 1.219 1.00 0.00 C HETATM 67 O DIV A 5 -1.241 3.022 1.685 1.00 0.00 O HETATM 68 1HB1 DIV A 5 -0.309 4.616 3.830 1.00 0.00 H HETATM 69 2HB1 DIV A 5 -1.254 6.012 4.287 1.00 0.00 H HETATM 70 1HG1 DIV A 5 -2.474 3.194 3.912 1.00 0.00 H HETATM 71 2HG1 DIV A 5 -1.985 3.929 5.455 1.00 0.00 H HETATM 72 3HG1 DIV A 5 -3.314 4.645 4.520 1.00 0.00 H HETATM 73 1HB2 DIV A 5 -3.142 6.429 1.017 1.00 0.00 H HETATM 74 2HB2 DIV A 5 -3.764 5.359 2.267 1.00 0.00 H HETATM 75 3HB2 DIV A 5 -3.076 6.935 2.715 1.00 0.00 H HETATM 76 H DIV A 5 -0.884 7.405 1.520 1.00 0.00 H ATOM 77 N ILE A 6 -1.597 4.330 -0.123 1.00 0.00 N ATOM 78 CA ILE A 6 -1.502 3.227 -1.115 1.00 0.00 C ATOM 79 C ILE A 6 -0.084 2.585 -1.258 1.00 0.00 C ATOM 80 O ILE A 6 -0.026 1.359 -1.272 1.00 0.00 O ATOM 81 CB ILE A 6 -2.240 3.555 -2.460 1.00 0.00 C ATOM 82 CG1 ILE A 6 -2.587 2.268 -3.269 1.00 0.00 C ATOM 83 CG2 ILE A 6 -1.508 4.591 -3.346 1.00 0.00 C ATOM 84 CD1 ILE A 6 -3.701 2.429 -4.316 1.00 0.00 C ATOM 85 H ILE A 6 -1.862 5.270 -0.423 1.00 0.00 H ATOM 86 HA ILE A 6 -2.135 2.447 -0.662 1.00 0.00 H ATOM 87 HB ILE A 6 -3.210 4.009 -2.177 1.00 0.00 H ATOM 88 1HG1 ILE A 6 -1.678 1.869 -3.759 1.00 0.00 H ATOM 89 2HG1 ILE A 6 -2.906 1.465 -2.577 1.00 0.00 H ATOM 90 1HG2 ILE A 6 -0.574 4.183 -3.779 1.00 0.00 H ATOM 91 2HG2 ILE A 6 -2.139 4.932 -4.186 1.00 0.00 H ATOM 92 3HG2 ILE A 6 -1.232 5.487 -2.769 1.00 0.00 H ATOM 93 1HD1 ILE A 6 -3.435 3.162 -5.098 1.00 0.00 H ATOM 94 2HD1 ILE A 6 -3.906 1.471 -4.826 1.00 0.00 H ATOM 95 3HD1 ILE A 6 -4.648 2.761 -3.852 1.00 0.00 H ATOM 96 N THR A 7 1.028 3.352 -1.331 1.00 0.00 N ATOM 97 CA THR A 7 2.417 2.786 -1.405 1.00 0.00 C ATOM 98 C THR A 7 2.833 1.914 -0.170 1.00 0.00 C ATOM 99 O THR A 7 3.371 0.822 -0.362 1.00 0.00 O ATOM 100 CB THR A 7 3.446 3.918 -1.722 1.00 0.00 C ATOM 101 OG1 THR A 7 3.058 4.617 -2.901 1.00 0.00 O ATOM 102 CG2 THR A 7 4.890 3.435 -1.965 1.00 0.00 C ATOM 103 H THR A 7 0.853 4.363 -1.314 1.00 0.00 H ATOM 104 HA THR A 7 2.428 2.107 -2.280 1.00 0.00 H ATOM 105 HB THR A 7 3.460 4.643 -0.885 1.00 0.00 H ATOM 106 HG1 THR A 7 3.727 5.291 -3.038 1.00 0.00 H ATOM 107 1HG2 THR A 7 5.556 4.273 -2.244 1.00 0.00 H ATOM 108 2HG2 THR A 7 5.328 2.966 -1.064 1.00 0.00 H ATOM 109 3HG2 THR A 7 4.937 2.692 -2.782 1.00 0.00 H HETATM 110 N AIB A 8 2.549 2.368 1.069 1.00 0.00 N HETATM 111 CA AIB A 8 2.570 1.528 2.315 1.00 0.00 C HETATM 112 C AIB A 8 1.659 0.233 2.262 1.00 0.00 C HETATM 113 O1 AIB A 8 2.017 -0.812 2.817 1.00 0.00 O HETATM 114 CB1 AIB A 8 2.013 2.445 3.435 1.00 0.00 C HETATM 115 CB2 AIB A 8 4.046 1.207 2.701 1.00 0.00 C HETATM 116 1HB1 AIB A 8 0.972 2.763 3.235 1.00 0.00 H HETATM 117 2HB1 AIB A 8 2.001 1.942 4.422 1.00 0.00 H HETATM 118 3HB1 AIB A 8 2.606 3.372 3.562 1.00 0.00 H HETATM 119 1HB2 AIB A 8 4.674 2.118 2.751 1.00 0.00 H HETATM 120 2HB2 AIB A 8 4.122 0.718 3.691 1.00 0.00 H HETATM 121 3HB2 AIB A 8 4.529 0.524 1.977 1.00 0.00 H HETATM 122 H AIB A 8 1.940 3.188 1.011 1.00 0.00 H ATOM 123 N LEU A 9 0.487 0.306 1.589 1.00 0.00 N ATOM 124 CA LEU A 9 -0.356 -0.863 1.254 1.00 0.00 C ATOM 125 C LEU A 9 0.124 -1.746 0.062 1.00 0.00 C ATOM 126 O LEU A 9 -0.307 -2.899 0.007 1.00 0.00 O ATOM 127 CB LEU A 9 -1.824 -0.383 1.076 1.00 0.00 C ATOM 128 CG LEU A 9 -2.745 -0.567 2.318 1.00 0.00 C ATOM 129 CD1 LEU A 9 -3.939 0.406 2.292 1.00 0.00 C ATOM 130 CD2 LEU A 9 -3.262 -2.018 2.424 1.00 0.00 C ATOM 131 H LEU A 9 0.339 1.163 1.049 1.00 0.00 H ATOM 132 HA LEU A 9 -0.363 -1.529 2.120 1.00 0.00 H ATOM 133 1HB LEU A 9 -1.849 0.670 0.734 1.00 0.00 H ATOM 134 2HB LEU A 9 -2.282 -0.931 0.238 1.00 0.00 H ATOM 135 HG LEU A 9 -2.162 -0.339 3.232 1.00 0.00 H ATOM 136 1HD1 LEU A 9 -4.579 0.261 1.401 1.00 0.00 H ATOM 137 2HD1 LEU A 9 -4.581 0.282 3.185 1.00 0.00 H ATOM 138 3HD1 LEU A 9 -3.605 1.462 2.290 1.00 0.00 H ATOM 139 1HD2 LEU A 9 -2.439 -2.750 2.443 1.00 0.00 H ATOM 140 2HD2 LEU A 9 -3.845 -2.183 3.349 1.00 0.00 H ATOM 141 3HD2 LEU A 9 -3.910 -2.296 1.570 1.00 0.00 H HETATM 142 N AIB A 10 0.979 -1.261 -0.880 1.00 0.00 N HETATM 143 CA AIB A 10 1.503 -2.064 -2.037 1.00 0.00 C HETATM 144 C AIB A 10 2.208 -3.433 -1.614 1.00 0.00 C HETATM 145 O1 AIB A 10 1.796 -4.480 -2.129 1.00 0.00 O HETATM 146 CB1 AIB A 10 2.485 -1.168 -2.840 1.00 0.00 C HETATM 147 CB2 AIB A 10 0.310 -2.291 -3.013 1.00 0.00 C HETATM 148 1HB1 AIB A 10 3.360 -0.842 -2.256 1.00 0.00 H HETATM 149 2HB1 AIB A 10 2.892 -1.692 -3.725 1.00 0.00 H HETATM 150 3HB1 AIB A 10 2.006 -0.241 -3.212 1.00 0.00 H HETATM 151 1HB2 AIB A 10 -0.198 -1.343 -3.280 1.00 0.00 H HETATM 152 2HB2 AIB A 10 0.632 -2.769 -3.957 1.00 0.00 H HETATM 153 3HB2 AIB A 10 -0.459 -2.953 -2.572 1.00 0.00 H HETATM 154 H AIB A 10 1.385 -0.339 -0.634 1.00 0.00 H HETATM 155 N HPR A 11 3.201 -3.535 -0.667 1.00 0.00 N HETATM 156 CA HPR A 11 3.663 -4.839 -0.099 1.00 0.00 C HETATM 157 C HPR A 11 2.649 -5.632 0.796 1.00 0.00 C HETATM 158 O HPR A 11 2.866 -6.821 1.043 1.00 0.00 O HETATM 159 CB HPR A 11 4.908 -4.418 0.704 1.00 0.00 C HETATM 160 CG HPR A 11 4.579 -3.015 1.220 1.00 0.00 C HETATM 161 CD HPR A 11 3.753 -2.398 0.091 1.00 0.00 C HETATM 162 OD HPR A 11 5.750 -2.261 1.501 1.00 0.00 O HETATM 163 HA HPR A 11 3.985 -5.511 -0.917 1.00 0.00 H HETATM 164 1HB HPR A 11 5.147 -5.112 1.529 1.00 0.00 H HETATM 165 2HB HPR A 11 5.798 -4.389 0.047 1.00 0.00 H HETATM 166 1HD HPR A 11 2.971 -1.760 0.526 1.00 0.00 H HETATM 167 2HD HPR A 11 4.340 -1.770 -0.586 1.00 0.00 H HETATM 168 HOD HPR A 11 6.192 -2.717 2.221 1.00 0.00 H HETATM 169 HG HPR A 11 3.958 -3.092 2.137 1.00 0.00 H ATOM 170 N GLN A 12 1.559 -4.986 1.250 1.00 0.00 N ATOM 171 CA GLN A 12 0.406 -5.625 1.897 1.00 0.00 C ATOM 172 C GLN A 12 -0.720 -6.136 0.933 1.00 0.00 C ATOM 173 O GLN A 12 -1.656 -6.735 1.459 1.00 0.00 O ATOM 174 CB GLN A 12 -0.165 -4.663 2.975 1.00 0.00 C ATOM 175 CG GLN A 12 0.793 -4.264 4.123 1.00 0.00 C ATOM 176 CD GLN A 12 0.158 -3.282 5.120 1.00 0.00 C ATOM 177 OE1 GLN A 12 -0.231 -2.168 4.764 1.00 0.00 O ATOM 178 NE2 GLN A 12 0.055 -3.661 6.383 1.00 0.00 N ATOM 179 H GLN A 12 1.491 -4.003 1.014 1.00 0.00 H ATOM 180 HA GLN A 12 0.808 -6.483 2.431 1.00 0.00 H ATOM 181 1HB GLN A 12 -0.535 -3.753 2.476 1.00 0.00 H ATOM 182 2HB GLN A 12 -1.061 -5.123 3.434 1.00 0.00 H ATOM 183 1HG GLN A 12 1.152 -5.182 4.630 1.00 0.00 H ATOM 184 2HG GLN A 12 1.699 -3.784 3.711 1.00 0.00 H ATOM 185 1HE2 GLN A 12 0.459 -4.574 6.624 1.00 0.00 H ATOM 186 2HE2 GLN A 12 -0.356 -2.981 7.032 1.00 0.00 H HETATM 187 N AIB A 13 -0.668 -5.957 -0.420 1.00 0.00 N HETATM 188 CA AIB A 13 -1.510 -6.725 -1.405 1.00 0.00 C HETATM 189 C AIB A 13 -1.155 -8.285 -1.449 1.00 0.00 C HETATM 190 O1 AIB A 13 -2.087 -9.091 -1.337 1.00 0.00 O HETATM 191 CB1 AIB A 13 -1.253 -6.080 -2.797 1.00 0.00 C HETATM 192 CB2 AIB A 13 -3.039 -6.474 -1.175 1.00 0.00 C HETATM 193 1HB1 AIB A 13 -0.187 -6.025 -3.070 1.00 0.00 H HETATM 194 2HB1 AIB A 13 -1.753 -6.640 -3.610 1.00 0.00 H HETATM 195 3HB1 AIB A 13 -1.620 -5.037 -2.859 1.00 0.00 H HETATM 196 1HB2 AIB A 13 -3.295 -5.397 -1.130 1.00 0.00 H HETATM 197 2HB2 AIB A 13 -3.655 -6.915 -1.982 1.00 0.00 H HETATM 198 3HB2 AIB A 13 -3.411 -6.927 -0.238 1.00 0.00 H HETATM 199 H AIB A 13 0.204 -5.501 -0.747 1.00 0.00 H HETATM 200 N HPR A 14 0.119 -8.792 -1.598 1.00 0.00 N HETATM 201 CA HPR A 14 0.432 -10.252 -1.702 1.00 0.00 C HETATM 202 C HPR A 14 0.272 -11.116 -0.415 1.00 0.00 C HETATM 203 O HPR A 14 -0.262 -12.223 -0.518 1.00 0.00 O HETATM 204 CB HPR A 14 1.884 -10.258 -2.229 1.00 0.00 C HETATM 205 CG HPR A 14 2.484 -8.968 -1.673 1.00 0.00 C HETATM 206 CD HPR A 14 1.332 -7.972 -1.780 1.00 0.00 C HETATM 207 OD HPR A 14 3.616 -8.538 -2.416 1.00 0.00 O HETATM 208 HA HPR A 14 -0.208 -10.697 -2.487 1.00 0.00 H HETATM 209 1HB HPR A 14 2.464 -11.151 -1.929 1.00 0.00 H HETATM 210 2HB HPR A 14 1.885 -10.240 -3.336 1.00 0.00 H HETATM 211 1HD HPR A 14 1.450 -7.201 -1.009 1.00 0.00 H HETATM 212 2HD HPR A 14 1.324 -7.452 -2.750 1.00 0.00 H HETATM 213 HOD HPR A 14 3.285 -8.296 -3.285 1.00 0.00 H HETATM 214 HG HPR A 14 2.743 -9.101 -0.600 1.00 0.00 H HETATM 215 N AIB A 15 0.742 -10.643 0.768 1.00 0.00 N HETATM 216 CA AIB A 15 0.595 -11.338 2.089 1.00 0.00 C HETATM 217 C AIB A 15 -0.885 -11.859 2.393 1.00 0.00 C HETATM 218 O1 AIB A 15 -1.029 -13.054 2.684 1.00 0.00 O HETATM 219 CB1 AIB A 15 1.094 -10.337 3.170 1.00 0.00 C HETATM 220 CB2 AIB A 15 1.636 -12.501 2.122 1.00 0.00 C HETATM 221 1HB1 AIB A 15 0.576 -9.363 3.146 1.00 0.00 H HETATM 222 2HB1 AIB A 15 0.973 -10.736 4.194 1.00 0.00 H HETATM 223 3HB1 AIB A 15 2.167 -10.086 3.059 1.00 0.00 H HETATM 224 1HB2 AIB A 15 2.662 -12.167 1.871 1.00 0.00 H HETATM 225 2HB2 AIB A 15 1.692 -12.978 3.118 1.00 0.00 H HETATM 226 3HB2 AIB A 15 1.383 -13.304 1.404 1.00 0.00 H HETATM 227 H AIB A 15 1.151 -9.704 0.708 1.00 0.00 H ATOM 228 N PRO A 16 -2.014 -11.088 2.275 1.00 0.00 N ATOM 229 CA PRO A 16 -3.396 -11.646 2.279 1.00 0.00 C ATOM 230 C PRO A 16 -3.885 -12.311 0.945 1.00 0.00 C ATOM 231 O PRO A 16 -4.563 -13.338 1.025 1.00 0.00 O ATOM 232 CB PRO A 16 -4.237 -10.416 2.676 1.00 0.00 C ATOM 233 CG PRO A 16 -3.489 -9.217 2.097 1.00 0.00 C ATOM 234 CD PRO A 16 -2.014 -9.622 2.138 1.00 0.00 C ATOM 235 HA PRO A 16 -3.493 -12.400 3.086 1.00 0.00 H ATOM 236 1HB PRO A 16 -5.286 -10.464 2.325 1.00 0.00 H ATOM 237 2HB PRO A 16 -4.282 -10.332 3.778 1.00 0.00 H ATOM 238 1HG PRO A 16 -3.802 -9.042 1.048 1.00 0.00 H ATOM 239 2HG PRO A 16 -3.691 -8.284 2.653 1.00 0.00 H ATOM 240 1HD PRO A 16 -1.497 -9.292 1.223 1.00 0.00 H ATOM 241 2HD PRO A 16 -1.498 -9.141 2.986 1.00 0.00 H HETATM 242 N PHL A 17 -3.597 -11.730 -0.244 1.00 0.00 N HETATM 243 CA PHL A 17 -4.138 -12.215 -1.542 1.00 0.00 C HETATM 244 C PHL A 17 -2.961 -12.346 -2.535 1.00 0.00 C HETATM 245 O PHL A 17 -3.380 -12.970 -3.742 1.00 0.00 O HETATM 246 CB PHL A 17 -5.249 -11.252 -2.055 1.00 0.00 C HETATM 247 CG PHL A 17 -6.621 -11.429 -1.369 1.00 0.00 C HETATM 248 CD1 PHL A 17 -7.490 -12.438 -1.802 1.00 0.00 C HETATM 249 CD2 PHL A 17 -7.006 -10.602 -0.309 1.00 0.00 C HETATM 250 CE1 PHL A 17 -8.721 -12.622 -1.174 1.00 0.00 C HETATM 251 CE2 PHL A 17 -8.236 -10.788 0.318 1.00 0.00 C HETATM 252 CZ PHL A 17 -9.092 -11.799 -0.116 1.00 0.00 C HETATM 253 H1 PHL A 17 -2.151 -12.958 -2.102 1.00 0.00 H HETATM 254 H2 PHL A 17 -2.514 -11.361 -2.769 1.00 0.00 H HETATM 255 HO PHL A 17 -3.956 -12.341 -4.182 1.00 0.00 H HETATM 256 HA PHL A 17 -4.565 -13.231 -1.437 1.00 0.00 H HETATM 257 1HB PHL A 17 -4.910 -10.198 -1.981 1.00 0.00 H HETATM 258 2HB PHL A 17 -5.394 -11.396 -3.143 1.00 0.00 H HETATM 259 HD1 PHL A 17 -7.215 -13.087 -2.619 1.00 0.00 H HETATM 260 HD2 PHL A 17 -6.352 -9.816 0.041 1.00 0.00 H HETATM 261 HE1 PHL A 17 -9.385 -13.407 -1.509 1.00 0.00 H HETATM 262 HE2 PHL A 17 -8.530 -10.154 1.141 1.00 0.00 H HETATM 263 HZ PHL A 17 -10.047 -11.947 0.371 1.00 0.00 H HETATM 264 H PHL A 17 -3.027 -10.872 -0.195 1.00 0.00 H TER 265 PHL A 17 HETATM 266 C ACE A 1 -2.014 10.455 1.327 1.00 0.00 C HETATM 267 O ACE A 1 -1.775 9.401 1.920 1.00 0.00 O HETATM 268 CH3 ACE A 1 -1.206 11.710 1.622 1.00 0.00 C HETATM 269 H1 ACE A 1 -1.829 12.625 1.627 1.00 0.00 H HETATM 270 H2 ACE A 1 -0.697 11.634 2.598 1.00 0.00 H HETATM 271 H3 ACE A 1 -0.418 11.837 0.855 1.00 0.00 H ENDMDL MODEL 10 ATOM 1 N TRP A 2 -3.269 10.227 0.382 1.00 0.00 N ATOM 2 CA TRP A 2 -3.777 9.064 -0.390 1.00 0.00 C ATOM 3 C TRP A 2 -2.662 8.270 -1.150 1.00 0.00 C ATOM 4 O TRP A 2 -2.740 7.040 -1.200 1.00 0.00 O ATOM 5 CB TRP A 2 -4.926 9.519 -1.333 1.00 0.00 C ATOM 6 CG TRP A 2 -5.734 8.362 -1.939 1.00 0.00 C ATOM 7 CD1 TRP A 2 -5.516 7.774 -3.205 1.00 0.00 C ATOM 8 CD2 TRP A 2 -6.760 7.634 -1.364 1.00 0.00 C ATOM 9 NE1 TRP A 2 -6.385 6.693 -3.436 1.00 0.00 N ATOM 10 CE2 TRP A 2 -7.151 6.626 -2.281 1.00 0.00 C ATOM 11 CE3 TRP A 2 -7.401 7.744 -0.102 1.00 0.00 C ATOM 12 CZ2 TRP A 2 -8.194 5.728 -1.949 1.00 0.00 C ATOM 13 CZ3 TRP A 2 -8.429 6.848 0.201 1.00 0.00 C ATOM 14 CH2 TRP A 2 -8.820 5.858 -0.708 1.00 0.00 C ATOM 15 H TRP A 2 -3.376 11.178 0.028 1.00 0.00 H ATOM 16 HA TRP A 2 -4.228 8.388 0.352 1.00 0.00 H ATOM 17 1HB TRP A 2 -5.631 10.175 -0.786 1.00 0.00 H ATOM 18 2HB TRP A 2 -4.524 10.159 -2.144 1.00 0.00 H ATOM 19 HD1 TRP A 2 -4.753 8.092 -3.900 1.00 0.00 H ATOM 20 HE1 TRP A 2 -6.427 6.083 -4.258 1.00 0.00 H ATOM 21 HE3 TRP A 2 -7.106 8.501 0.610 1.00 0.00 H ATOM 22 HZ2 TRP A 2 -8.505 4.958 -2.640 1.00 0.00 H ATOM 23 HZ3 TRP A 2 -8.931 6.923 1.155 1.00 0.00 H ATOM 24 HH2 TRP A 2 -9.623 5.184 -0.445 1.00 0.00 H ATOM 25 N ILE A 3 -1.644 8.943 -1.732 1.00 0.00 N ATOM 26 CA ILE A 3 -0.500 8.265 -2.412 1.00 0.00 C ATOM 27 C ILE A 3 0.417 7.416 -1.474 1.00 0.00 C ATOM 28 O ILE A 3 0.726 6.271 -1.814 1.00 0.00 O ATOM 29 CB ILE A 3 0.216 9.248 -3.408 1.00 0.00 C ATOM 30 CG1 ILE A 3 0.875 8.566 -4.645 1.00 0.00 C ATOM 31 CG2 ILE A 3 1.137 10.301 -2.741 1.00 0.00 C ATOM 32 CD1 ILE A 3 2.241 7.878 -4.476 1.00 0.00 C ATOM 33 H ILE A 3 -1.686 9.963 -1.624 1.00 0.00 H ATOM 34 HA ILE A 3 -0.995 7.512 -3.036 1.00 0.00 H ATOM 35 HB ILE A 3 -0.595 9.844 -3.872 1.00 0.00 H ATOM 36 1HG1 ILE A 3 0.166 7.832 -5.073 1.00 0.00 H ATOM 37 2HG1 ILE A 3 0.987 9.326 -5.440 1.00 0.00 H ATOM 38 1HG2 ILE A 3 2.024 9.840 -2.269 1.00 0.00 H ATOM 39 2HG2 ILE A 3 1.506 11.041 -3.476 1.00 0.00 H ATOM 40 3HG2 ILE A 3 0.606 10.868 -1.953 1.00 0.00 H ATOM 41 1HD1 ILE A 3 2.229 7.099 -3.696 1.00 0.00 H ATOM 42 2HD1 ILE A 3 2.553 7.388 -5.416 1.00 0.00 H ATOM 43 3HD1 ILE A 3 3.035 8.602 -4.213 1.00 0.00 H ATOM 44 N GLN A 4 0.791 7.946 -0.295 1.00 0.00 N ATOM 45 CA GLN A 4 1.492 7.169 0.763 1.00 0.00 C ATOM 46 C GLN A 4 0.651 6.094 1.504 1.00 0.00 C ATOM 47 O GLN A 4 1.227 5.053 1.820 1.00 0.00 O ATOM 48 CB GLN A 4 2.231 8.109 1.752 1.00 0.00 C ATOM 49 CG GLN A 4 3.625 8.573 1.263 1.00 0.00 C ATOM 50 CD GLN A 4 4.767 7.538 1.370 1.00 0.00 C ATOM 51 OE1 GLN A 4 4.579 6.358 1.673 1.00 0.00 O ATOM 52 NE2 GLN A 4 5.994 7.971 1.122 1.00 0.00 N ATOM 53 H GLN A 4 0.420 8.887 -0.145 1.00 0.00 H ATOM 54 HA GLN A 4 2.276 6.591 0.250 1.00 0.00 H ATOM 55 1HB GLN A 4 1.602 8.992 1.982 1.00 0.00 H ATOM 56 2HB GLN A 4 2.367 7.614 2.734 1.00 0.00 H ATOM 57 1HG GLN A 4 3.546 8.915 0.215 1.00 0.00 H ATOM 58 2HG GLN A 4 3.906 9.466 1.850 1.00 0.00 H ATOM 59 1HE2 GLN A 4 6.089 8.961 0.866 1.00 0.00 H ATOM 60 2HE2 GLN A 4 6.754 7.292 1.247 1.00 0.00 H HETATM 61 N DIV A 5 -0.672 6.278 1.746 1.00 0.00 N HETATM 62 CA DIV A 5 -1.621 5.178 2.154 1.00 0.00 C HETATM 63 CB1 DIV A 5 -1.345 4.837 3.668 1.00 0.00 C HETATM 64 CG1 DIV A 5 -2.320 3.905 4.420 1.00 0.00 C HETATM 65 CB2 DIV A 5 -3.048 5.792 2.054 1.00 0.00 C HETATM 66 C DIV A 5 -1.526 3.930 1.176 1.00 0.00 C HETATM 67 O DIV A 5 -1.308 2.802 1.624 1.00 0.00 O HETATM 68 1HB1 DIV A 5 -0.338 4.395 3.765 1.00 0.00 H HETATM 69 2HB1 DIV A 5 -1.285 5.771 4.258 1.00 0.00 H HETATM 70 1HG1 DIV A 5 -2.480 2.946 3.897 1.00 0.00 H HETATM 71 2HG1 DIV A 5 -1.937 3.660 5.427 1.00 0.00 H HETATM 72 3HG1 DIV A 5 -3.311 4.374 4.561 1.00 0.00 H HETATM 73 1HB2 DIV A 5 -3.291 6.145 1.037 1.00 0.00 H HETATM 74 2HB2 DIV A 5 -3.834 5.057 2.312 1.00 0.00 H HETATM 75 3HB2 DIV A 5 -3.188 6.653 2.734 1.00 0.00 H HETATM 76 H DIV A 5 -1.020 7.196 1.445 1.00 0.00 H ATOM 77 N ILE A 6 -1.609 4.143 -0.164 1.00 0.00 N ATOM 78 CA ILE A 6 -1.440 3.090 -1.199 1.00 0.00 C ATOM 79 C ILE A 6 0.003 2.496 -1.249 1.00 0.00 C ATOM 80 O ILE A 6 0.118 1.279 -1.131 1.00 0.00 O ATOM 81 CB ILE A 6 -2.010 3.577 -2.587 1.00 0.00 C ATOM 82 CG1 ILE A 6 -3.525 3.966 -2.591 1.00 0.00 C ATOM 83 CG2 ILE A 6 -1.731 2.609 -3.770 1.00 0.00 C ATOM 84 CD1 ILE A 6 -4.547 2.866 -2.254 1.00 0.00 C ATOM 85 H ILE A 6 -1.890 5.080 -0.449 1.00 0.00 H ATOM 86 HA ILE A 6 -2.073 2.256 -0.869 1.00 0.00 H ATOM 87 HB ILE A 6 -1.463 4.507 -2.843 1.00 0.00 H ATOM 88 1HG1 ILE A 6 -3.693 4.803 -1.893 1.00 0.00 H ATOM 89 2HG1 ILE A 6 -3.787 4.390 -3.579 1.00 0.00 H ATOM 90 1HG2 ILE A 6 -2.153 1.603 -3.590 1.00 0.00 H ATOM 91 2HG2 ILE A 6 -2.151 2.983 -4.721 1.00 0.00 H ATOM 92 3HG2 ILE A 6 -0.648 2.480 -3.945 1.00 0.00 H ATOM 93 1HD1 ILE A 6 -4.413 2.475 -1.229 1.00 0.00 H ATOM 94 2HD1 ILE A 6 -5.579 3.257 -2.319 1.00 0.00 H ATOM 95 3HD1 ILE A 6 -4.481 2.010 -2.950 1.00 0.00 H ATOM 96 N THR A 7 1.076 3.293 -1.429 1.00 0.00 N ATOM 97 CA THR A 7 2.476 2.764 -1.535 1.00 0.00 C ATOM 98 C THR A 7 3.023 2.022 -0.269 1.00 0.00 C ATOM 99 O THR A 7 3.635 0.962 -0.420 1.00 0.00 O ATOM 100 CB THR A 7 3.480 3.826 -2.075 1.00 0.00 C ATOM 101 OG1 THR A 7 3.478 4.993 -1.262 1.00 0.00 O ATOM 102 CG2 THR A 7 3.225 4.245 -3.537 1.00 0.00 C ATOM 103 H THR A 7 0.866 4.294 -1.508 1.00 0.00 H ATOM 104 HA THR A 7 2.443 1.983 -2.323 1.00 0.00 H ATOM 105 HB THR A 7 4.500 3.400 -2.046 1.00 0.00 H ATOM 106 HG1 THR A 7 2.612 5.391 -1.377 1.00 0.00 H ATOM 107 1HG2 THR A 7 3.971 4.981 -3.887 1.00 0.00 H ATOM 108 2HG2 THR A 7 3.278 3.380 -4.224 1.00 0.00 H ATOM 109 3HG2 THR A 7 2.228 4.703 -3.665 1.00 0.00 H HETATM 110 N AIB A 8 2.761 2.523 0.961 1.00 0.00 N HETATM 111 CA AIB A 8 2.907 1.752 2.246 1.00 0.00 C HETATM 112 C AIB A 8 2.038 0.430 2.328 1.00 0.00 C HETATM 113 O1 AIB A 8 2.477 -0.564 2.918 1.00 0.00 O HETATM 114 CB1 AIB A 8 2.409 2.681 3.385 1.00 0.00 C HETATM 115 CB2 AIB A 8 4.417 1.487 2.534 1.00 0.00 C HETATM 116 1HB1 AIB A 8 1.333 2.914 3.286 1.00 0.00 H HETATM 117 2HB1 AIB A 8 2.534 2.225 4.386 1.00 0.00 H HETATM 118 3HB1 AIB A 8 2.946 3.649 3.412 1.00 0.00 H HETATM 119 1HB2 AIB A 8 5.022 2.413 2.494 1.00 0.00 H HETATM 120 2HB2 AIB A 8 4.580 1.045 3.536 1.00 0.00 H HETATM 121 3HB2 AIB A 8 4.862 0.781 1.811 1.00 0.00 H HETATM 122 H AIB A 8 2.158 3.348 0.910 1.00 0.00 H ATOM 123 N LEU A 9 0.813 0.411 1.747 1.00 0.00 N ATOM 124 CA LEU A 9 0.035 -0.829 1.522 1.00 0.00 C ATOM 125 C LEU A 9 0.503 -1.715 0.327 1.00 0.00 C ATOM 126 O LEU A 9 0.051 -2.861 0.283 1.00 0.00 O ATOM 127 CB LEU A 9 -1.470 -0.472 1.341 1.00 0.00 C ATOM 128 CG LEU A 9 -2.307 -0.185 2.618 1.00 0.00 C ATOM 129 CD1 LEU A 9 -3.704 0.333 2.222 1.00 0.00 C ATOM 130 CD2 LEU A 9 -2.468 -1.418 3.533 1.00 0.00 C ATOM 131 H LEU A 9 0.562 1.220 1.174 1.00 0.00 H ATOM 132 HA LEU A 9 0.136 -1.450 2.424 1.00 0.00 H ATOM 133 1HB LEU A 9 -1.556 0.381 0.640 1.00 0.00 H ATOM 134 2HB LEU A 9 -1.980 -1.287 0.797 1.00 0.00 H ATOM 135 HG LEU A 9 -1.807 0.610 3.199 1.00 0.00 H ATOM 136 1HD1 LEU A 9 -4.275 -0.420 1.643 1.00 0.00 H ATOM 137 2HD1 LEU A 9 -4.313 0.594 3.107 1.00 0.00 H ATOM 138 3HD1 LEU A 9 -3.643 1.244 1.597 1.00 0.00 H ATOM 139 1HD2 LEU A 9 -1.503 -1.751 3.956 1.00 0.00 H ATOM 140 2HD2 LEU A 9 -3.126 -1.204 4.395 1.00 0.00 H ATOM 141 3HD2 LEU A 9 -2.905 -2.281 2.996 1.00 0.00 H HETATM 142 N AIB A 10 1.362 -1.257 -0.627 1.00 0.00 N HETATM 143 CA AIB A 10 1.862 -2.089 -1.778 1.00 0.00 C HETATM 144 C AIB A 10 2.455 -3.519 -1.382 1.00 0.00 C HETATM 145 O1 AIB A 10 2.001 -4.513 -1.961 1.00 0.00 O HETATM 146 CB1 AIB A 10 2.935 -1.284 -2.557 1.00 0.00 C HETATM 147 CB2 AIB A 10 0.665 -2.205 -2.767 1.00 0.00 C HETATM 148 1HB1 AIB A 10 3.832 -1.062 -1.956 1.00 0.00 H HETATM 149 2HB1 AIB A 10 3.295 -1.834 -3.448 1.00 0.00 H HETATM 150 3HB1 AIB A 10 2.556 -0.308 -2.918 1.00 0.00 H HETATM 151 1HB2 AIB A 10 0.254 -1.216 -3.052 1.00 0.00 H HETATM 152 2HB2 AIB A 10 0.949 -2.723 -3.701 1.00 0.00 H HETATM 153 3HB2 AIB A 10 -0.170 -2.780 -2.327 1.00 0.00 H HETATM 154 H AIB A 10 1.672 -0.279 -0.478 1.00 0.00 H HETATM 155 N HPR A 11 3.404 -3.726 -0.405 1.00 0.00 N HETATM 156 CA HPR A 11 3.773 -5.086 0.094 1.00 0.00 C HETATM 157 C HPR A 11 2.687 -5.873 0.909 1.00 0.00 C HETATM 158 O HPR A 11 2.789 -7.097 1.024 1.00 0.00 O HETATM 159 CB HPR A 11 5.034 -4.786 0.923 1.00 0.00 C HETATM 160 CG HPR A 11 4.815 -3.386 1.503 1.00 0.00 C HETATM 161 CD HPR A 11 3.954 -2.664 0.459 1.00 0.00 C HETATM 162 OD HPR A 11 6.051 -2.720 1.726 1.00 0.00 O HETATM 163 HA HPR A 11 4.063 -5.720 -0.766 1.00 0.00 H HETATM 164 1HB HPR A 11 5.232 -5.536 1.709 1.00 0.00 H HETATM 165 2HB HPR A 11 5.923 -4.786 0.261 1.00 0.00 H HETATM 166 1HD HPR A 11 3.143 -2.125 0.968 1.00 0.00 H HETATM 167 2HD HPR A 11 4.509 -1.916 -0.128 1.00 0.00 H HETATM 168 HOD HPR A 11 6.566 -3.300 2.292 1.00 0.00 H HETATM 169 HG HPR A 11 4.259 -3.464 2.456 1.00 0.00 H ATOM 170 N GLN A 12 1.655 -5.182 1.432 1.00 0.00 N ATOM 171 CA GLN A 12 0.424 -5.773 1.979 1.00 0.00 C ATOM 172 C GLN A 12 -0.772 -5.955 0.981 1.00 0.00 C ATOM 173 O GLN A 12 -1.848 -6.306 1.463 1.00 0.00 O ATOM 174 CB GLN A 12 0.026 -4.956 3.248 1.00 0.00 C ATOM 175 CG GLN A 12 0.927 -5.168 4.490 1.00 0.00 C ATOM 176 CD GLN A 12 0.792 -6.530 5.202 1.00 0.00 C ATOM 177 OE1 GLN A 12 -0.102 -7.337 4.945 1.00 0.00 O ATOM 178 NE2 GLN A 12 1.685 -6.804 6.141 1.00 0.00 N ATOM 179 H GLN A 12 1.665 -4.185 1.278 1.00 0.00 H ATOM 180 HA GLN A 12 0.696 -6.769 2.313 1.00 0.00 H ATOM 181 1HB GLN A 12 -0.005 -3.876 3.005 1.00 0.00 H ATOM 182 2HB GLN A 12 -1.012 -5.185 3.554 1.00 0.00 H ATOM 183 1HG GLN A 12 1.984 -4.997 4.206 1.00 0.00 H ATOM 184 2HG GLN A 12 0.690 -4.377 5.224 1.00 0.00 H ATOM 185 1HE2 GLN A 12 2.406 -6.095 6.312 1.00 0.00 H ATOM 186 2HE2 GLN A 12 1.572 -7.698 6.629 1.00 0.00 H HETATM 187 N AIB A 13 -0.627 -5.789 -0.364 1.00 0.00 N HETATM 188 CA AIB A 13 -1.525 -6.396 -1.408 1.00 0.00 C HETATM 189 C AIB A 13 -1.266 -7.965 -1.549 1.00 0.00 C HETATM 190 O1 AIB A 13 -2.240 -8.720 -1.440 1.00 0.00 O HETATM 191 CB1 AIB A 13 -1.217 -5.661 -2.746 1.00 0.00 C HETATM 192 CB2 AIB A 13 -3.040 -6.067 -1.182 1.00 0.00 C HETATM 193 1HB1 AIB A 13 -0.148 -5.646 -3.014 1.00 0.00 H HETATM 194 2HB1 AIB A 13 -1.745 -6.120 -3.603 1.00 0.00 H HETATM 195 3HB1 AIB A 13 -1.522 -4.598 -2.724 1.00 0.00 H HETATM 196 1HB2 AIB A 13 -3.216 -4.989 -1.007 1.00 0.00 H HETATM 197 2HB2 AIB A 13 -3.666 -6.364 -2.045 1.00 0.00 H HETATM 198 3HB2 AIB A 13 -3.466 -6.605 -0.317 1.00 0.00 H HETATM 199 H AIB A 13 0.317 -5.479 -0.649 1.00 0.00 H HETATM 200 N HPR A 14 -0.030 -8.541 -1.769 1.00 0.00 N HETATM 201 CA HPR A 14 0.181 -10.011 -1.914 1.00 0.00 C HETATM 202 C HPR A 14 0.024 -10.884 -0.628 1.00 0.00 C HETATM 203 O HPR A 14 -0.573 -11.957 -0.731 1.00 0.00 O HETATM 204 CB HPR A 14 1.600 -10.097 -2.511 1.00 0.00 C HETATM 205 CG HPR A 14 2.313 -8.867 -1.948 1.00 0.00 C HETATM 206 CD HPR A 14 1.230 -7.793 -1.962 1.00 0.00 C HETATM 207 OD HPR A 14 3.435 -8.493 -2.734 1.00 0.00 O HETATM 208 HA HPR A 14 -0.525 -10.404 -2.672 1.00 0.00 H HETATM 209 1HB HPR A 14 2.132 -11.037 -2.267 1.00 0.00 H HETATM 210 2HB HPR A 14 1.550 -10.046 -3.616 1.00 0.00 H HETATM 211 1HD HPR A 14 1.425 -7.067 -1.166 1.00 0.00 H HETATM 212 2HD HPR A 14 1.221 -7.236 -2.913 1.00 0.00 H HETATM 213 HOD HPR A 14 3.087 -8.249 -3.595 1.00 0.00 H HETATM 214 HG HPR A 14 2.614 -9.056 -0.898 1.00 0.00 H HETATM 215 N AIB A 15 0.562 -10.463 0.549 1.00 0.00 N HETATM 216 CA AIB A 15 0.458 -11.206 1.850 1.00 0.00 C HETATM 217 C AIB A 15 -1.035 -11.620 2.236 1.00 0.00 C HETATM 218 O1 AIB A 15 -1.248 -12.809 2.505 1.00 0.00 O HETATM 219 CB1 AIB A 15 1.101 -10.302 2.941 1.00 0.00 C HETATM 220 CB2 AIB A 15 1.403 -12.448 1.760 1.00 0.00 C HETATM 221 1HB1 AIB A 15 0.660 -9.293 2.997 1.00 0.00 H HETATM 222 2HB1 AIB A 15 1.009 -10.747 3.950 1.00 0.00 H HETATM 223 3HB1 AIB A 15 2.182 -10.132 2.771 1.00 0.00 H HETATM 224 1HB2 AIB A 15 2.438 -12.181 1.473 1.00 0.00 H HETATM 225 2HB2 AIB A 15 1.468 -12.987 2.725 1.00 0.00 H HETATM 226 3HB2 AIB A 15 1.048 -13.186 1.017 1.00 0.00 H HETATM 227 H AIB A 15 0.967 -9.518 0.519 1.00 0.00 H ATOM 228 N PRO A 16 -2.111 -10.765 2.212 1.00 0.00 N ATOM 229 CA PRO A 16 -3.523 -11.230 2.286 1.00 0.00 C ATOM 230 C PRO A 16 -4.125 -11.809 0.962 1.00 0.00 C ATOM 231 O PRO A 16 -4.839 -12.812 1.042 1.00 0.00 O ATOM 232 CB PRO A 16 -4.258 -9.970 2.782 1.00 0.00 C ATOM 233 CG PRO A 16 -3.461 -8.796 2.215 1.00 0.00 C ATOM 234 CD PRO A 16 -2.015 -9.297 2.120 1.00 0.00 C ATOM 235 HA PRO A 16 -3.621 -12.005 3.071 1.00 0.00 H ATOM 236 1HB PRO A 16 -5.325 -9.932 2.488 1.00 0.00 H ATOM 237 2HB PRO A 16 -4.240 -9.929 3.889 1.00 0.00 H ATOM 238 1HG PRO A 16 -3.837 -8.536 1.208 1.00 0.00 H ATOM 239 2HG PRO A 16 -3.554 -7.887 2.837 1.00 0.00 H ATOM 240 1HD PRO A 16 -1.560 -8.974 1.169 1.00 0.00 H ATOM 241 2HD PRO A 16 -1.399 -8.878 2.932 1.00 0.00 H HETATM 242 N PHL A 17 -3.885 -11.184 -0.216 1.00 0.00 N HETATM 243 CA PHL A 17 -4.547 -11.572 -1.492 1.00 0.00 C HETATM 244 C PHL A 17 -3.456 -12.022 -2.489 1.00 0.00 C HETATM 245 O PHL A 17 -4.033 -12.569 -3.668 1.00 0.00 O HETATM 246 CB PHL A 17 -5.406 -10.398 -2.049 1.00 0.00 C HETATM 247 CG PHL A 17 -6.596 -9.960 -1.171 1.00 0.00 C HETATM 248 CD1 PHL A 17 -6.553 -8.751 -0.465 1.00 0.00 C HETATM 249 CD2 PHL A 17 -7.724 -10.781 -1.050 1.00 0.00 C HETATM 250 CE1 PHL A 17 -7.619 -8.373 0.349 1.00 0.00 C HETATM 251 CE2 PHL A 17 -8.787 -10.403 -0.233 1.00 0.00 C HETATM 252 CZ PHL A 17 -8.735 -9.200 0.464 1.00 0.00 C HETATM 253 H1 PHL A 17 -2.808 -12.797 -2.032 1.00 0.00 H HETATM 254 H2 PHL A 17 -2.789 -11.185 -2.762 1.00 0.00 H HETATM 255 HO PHL A 17 -4.498 -11.845 -4.095 1.00 0.00 H HETATM 256 HA PHL A 17 -5.219 -12.441 -1.342 1.00 0.00 H HETATM 257 1HB PHL A 17 -4.753 -9.532 -2.274 1.00 0.00 H HETATM 258 2HB PHL A 17 -5.808 -10.687 -3.039 1.00 0.00 H HETATM 259 HD1 PHL A 17 -5.693 -8.101 -0.540 1.00 0.00 H HETATM 260 HD2 PHL A 17 -7.776 -11.721 -1.581 1.00 0.00 H HETATM 261 HE1 PHL A 17 -7.582 -7.439 0.891 1.00 0.00 H HETATM 262 HE2 PHL A 17 -9.651 -11.045 -0.141 1.00 0.00 H HETATM 263 HZ PHL A 17 -9.560 -8.907 1.096 1.00 0.00 H HETATM 264 H PHL A 17 -3.260 -10.366 -0.168 1.00 0.00 H TER 265 PHL A 17 HETATM 266 C ACE A 1 -2.473 10.088 1.451 1.00 0.00 C HETATM 267 O ACE A 1 -2.320 9.031 2.067 1.00 0.00 O HETATM 268 CH3 ACE A 1 -1.648 11.313 1.813 1.00 0.00 C HETATM 269 H1 ACE A 1 -2.238 12.246 1.774 1.00 0.00 H HETATM 270 H2 ACE A 1 -1.218 11.215 2.826 1.00 0.00 H HETATM 271 H3 ACE A 1 -0.800 11.413 1.107 1.00 0.00 H ENDMDL MODEL 11 ATOM 1 N TRP A 2 -2.941 10.373 0.095 1.00 0.00 N ATOM 2 CA TRP A 2 -3.614 9.208 -0.547 1.00 0.00 C ATOM 3 C TRP A 2 -2.649 8.243 -1.324 1.00 0.00 C ATOM 4 O TRP A 2 -2.840 7.027 -1.296 1.00 0.00 O ATOM 5 CB TRP A 2 -4.868 9.662 -1.358 1.00 0.00 C ATOM 6 CG TRP A 2 -4.700 10.062 -2.839 1.00 0.00 C ATOM 7 CD1 TRP A 2 -5.101 9.253 -3.926 1.00 0.00 C ATOM 8 CD2 TRP A 2 -4.119 11.185 -3.413 1.00 0.00 C ATOM 9 NE1 TRP A 2 -4.792 9.839 -5.163 1.00 0.00 N ATOM 10 CE2 TRP A 2 -4.173 11.030 -4.823 1.00 0.00 C ATOM 11 CE3 TRP A 2 -3.497 12.325 -2.842 1.00 0.00 C ATOM 12 CZ2 TRP A 2 -3.594 12.006 -5.669 1.00 0.00 C ATOM 13 CZ3 TRP A 2 -2.935 13.275 -3.697 1.00 0.00 C ATOM 14 CH2 TRP A 2 -2.981 13.117 -5.088 1.00 0.00 C ATOM 15 H TRP A 2 -3.003 11.306 -0.315 1.00 0.00 H ATOM 16 HA TRP A 2 -4.028 8.627 0.293 1.00 0.00 H ATOM 17 1HB TRP A 2 -5.594 8.828 -1.320 1.00 0.00 H ATOM 18 2HB TRP A 2 -5.395 10.477 -0.827 1.00 0.00 H ATOM 19 HD1 TRP A 2 -5.573 8.287 -3.825 1.00 0.00 H ATOM 20 HE1 TRP A 2 -4.965 9.464 -6.101 1.00 0.00 H ATOM 21 HE3 TRP A 2 -3.451 12.462 -1.771 1.00 0.00 H ATOM 22 HZ2 TRP A 2 -3.613 11.891 -6.742 1.00 0.00 H ATOM 23 HZ3 TRP A 2 -2.450 14.147 -3.280 1.00 0.00 H ATOM 24 HH2 TRP A 2 -2.529 13.864 -5.723 1.00 0.00 H ATOM 25 N ILE A 3 -1.607 8.788 -1.989 1.00 0.00 N ATOM 26 CA ILE A 3 -0.511 7.986 -2.600 1.00 0.00 C ATOM 27 C ILE A 3 0.356 7.198 -1.567 1.00 0.00 C ATOM 28 O ILE A 3 0.742 6.076 -1.888 1.00 0.00 O ATOM 29 CB ILE A 3 0.310 8.846 -3.630 1.00 0.00 C ATOM 30 CG1 ILE A 3 -0.542 9.520 -4.753 1.00 0.00 C ATOM 31 CG2 ILE A 3 1.500 8.094 -4.285 1.00 0.00 C ATOM 32 CD1 ILE A 3 -1.369 8.583 -5.658 1.00 0.00 C ATOM 33 H ILE A 3 -1.576 9.813 -1.964 1.00 0.00 H ATOM 34 HA ILE A 3 -1.014 7.200 -3.171 1.00 0.00 H ATOM 35 HB ILE A 3 0.767 9.676 -3.056 1.00 0.00 H ATOM 36 1HG1 ILE A 3 -1.234 10.251 -4.296 1.00 0.00 H ATOM 37 2HG1 ILE A 3 0.113 10.138 -5.393 1.00 0.00 H ATOM 38 1HG2 ILE A 3 1.170 7.183 -4.816 1.00 0.00 H ATOM 39 2HG2 ILE A 3 2.038 8.724 -5.017 1.00 0.00 H ATOM 40 3HG2 ILE A 3 2.250 7.780 -3.536 1.00 0.00 H ATOM 41 1HD1 ILE A 3 -2.122 8.015 -5.081 1.00 0.00 H ATOM 42 2HD1 ILE A 3 -1.920 9.159 -6.423 1.00 0.00 H ATOM 43 3HD1 ILE A 3 -0.734 7.852 -6.191 1.00 0.00 H ATOM 44 N GLN A 4 0.638 7.736 -0.366 1.00 0.00 N ATOM 45 CA GLN A 4 1.296 6.973 0.732 1.00 0.00 C ATOM 46 C GLN A 4 0.385 6.020 1.556 1.00 0.00 C ATOM 47 O GLN A 4 0.904 5.004 2.017 1.00 0.00 O ATOM 48 CB GLN A 4 2.134 7.879 1.669 1.00 0.00 C ATOM 49 CG GLN A 4 3.372 8.550 1.031 1.00 0.00 C ATOM 50 CD GLN A 4 4.422 7.584 0.437 1.00 0.00 C ATOM 51 OE1 GLN A 4 4.885 6.650 1.092 1.00 0.00 O ATOM 52 NE2 GLN A 4 4.809 7.782 -0.813 1.00 0.00 N ATOM 53 H GLN A 4 0.182 8.633 -0.207 1.00 0.00 H ATOM 54 HA GLN A 4 2.021 6.302 0.248 1.00 0.00 H ATOM 55 1HB GLN A 4 1.491 8.658 2.122 1.00 0.00 H ATOM 56 2HB GLN A 4 2.489 7.281 2.530 1.00 0.00 H ATOM 57 1HG GLN A 4 3.023 9.275 0.272 1.00 0.00 H ATOM 58 2HG GLN A 4 3.874 9.151 1.807 1.00 0.00 H ATOM 59 1HE2 GLN A 4 4.373 8.565 -1.314 1.00 0.00 H ATOM 60 2HE2 GLN A 4 5.518 7.139 -1.177 1.00 0.00 H HETATM 61 N DIV A 5 -0.939 6.269 1.711 1.00 0.00 N HETATM 62 CA DIV A 5 -1.955 5.229 2.109 1.00 0.00 C HETATM 63 CB1 DIV A 5 -1.804 4.954 3.654 1.00 0.00 C HETATM 64 CG1 DIV A 5 -2.924 4.161 4.360 1.00 0.00 C HETATM 65 CB2 DIV A 5 -3.341 5.898 1.871 1.00 0.00 C HETATM 66 C DIV A 5 -1.820 3.925 1.207 1.00 0.00 C HETATM 67 O DIV A 5 -1.610 2.828 1.732 1.00 0.00 O HETATM 68 1HB1 DIV A 5 -0.854 4.420 3.837 1.00 0.00 H HETATM 69 2HB1 DIV A 5 -1.687 5.909 4.203 1.00 0.00 H HETATM 70 1HG1 DIV A 5 -3.214 3.258 3.797 1.00 0.00 H HETATM 71 2HG1 DIV A 5 -2.621 3.837 5.372 1.00 0.00 H HETATM 72 3HG1 DIV A 5 -3.838 4.774 4.481 1.00 0.00 H HETATM 73 1HB2 DIV A 5 -3.504 6.190 0.822 1.00 0.00 H HETATM 74 2HB2 DIV A 5 -4.179 5.219 2.116 1.00 0.00 H HETATM 75 3HB2 DIV A 5 -3.485 6.811 2.483 1.00 0.00 H HETATM 76 H DIV A 5 -1.230 7.184 1.350 1.00 0.00 H ATOM 77 N ILE A 6 -1.824 4.055 -0.149 1.00 0.00 N ATOM 78 CA ILE A 6 -1.538 2.941 -1.095 1.00 0.00 C ATOM 79 C ILE A 6 -0.059 2.441 -1.012 1.00 0.00 C ATOM 80 O ILE A 6 0.116 1.253 -0.763 1.00 0.00 O ATOM 81 CB ILE A 6 -2.102 3.236 -2.543 1.00 0.00 C ATOM 82 CG1 ILE A 6 -3.662 3.159 -2.646 1.00 0.00 C ATOM 83 CG2 ILE A 6 -1.535 2.286 -3.640 1.00 0.00 C ATOM 84 CD1 ILE A 6 -4.461 4.362 -2.114 1.00 0.00 C ATOM 85 H ILE A 6 -2.115 4.966 -0.510 1.00 0.00 H ATOM 86 HA ILE A 6 -2.123 2.093 -0.713 1.00 0.00 H ATOM 87 HB ILE A 6 -1.783 4.254 -2.846 1.00 0.00 H ATOM 88 1HG1 ILE A 6 -3.974 3.043 -3.702 1.00 0.00 H ATOM 89 2HG1 ILE A 6 -4.026 2.241 -2.146 1.00 0.00 H ATOM 90 1HG2 ILE A 6 -1.769 1.224 -3.438 1.00 0.00 H ATOM 91 2HG2 ILE A 6 -1.930 2.524 -4.646 1.00 0.00 H ATOM 92 3HG2 ILE A 6 -0.436 2.366 -3.729 1.00 0.00 H ATOM 93 1HD1 ILE A 6 -4.166 5.300 -2.618 1.00 0.00 H ATOM 94 2HD1 ILE A 6 -5.544 4.232 -2.301 1.00 0.00 H ATOM 95 3HD1 ILE A 6 -4.342 4.506 -1.024 1.00 0.00 H ATOM 96 N THR A 7 0.976 3.282 -1.212 1.00 0.00 N ATOM 97 CA THR A 7 2.408 2.837 -1.289 1.00 0.00 C ATOM 98 C THR A 7 2.955 2.115 -0.009 1.00 0.00 C ATOM 99 O THR A 7 3.651 1.107 -0.152 1.00 0.00 O ATOM 100 CB THR A 7 3.319 4.009 -1.776 1.00 0.00 C ATOM 101 OG1 THR A 7 2.831 4.536 -3.007 1.00 0.00 O ATOM 102 CG2 THR A 7 4.793 3.643 -2.037 1.00 0.00 C ATOM 103 H THR A 7 0.706 4.260 -1.362 1.00 0.00 H ATOM 104 HA THR A 7 2.443 2.085 -2.100 1.00 0.00 H ATOM 105 HB THR A 7 3.304 4.819 -1.024 1.00 0.00 H ATOM 106 HG1 THR A 7 3.415 5.264 -3.233 1.00 0.00 H ATOM 107 1HG2 THR A 7 5.352 4.503 -2.451 1.00 0.00 H ATOM 108 2HG2 THR A 7 5.315 3.340 -1.108 1.00 0.00 H ATOM 109 3HG2 THR A 7 4.888 2.808 -2.759 1.00 0.00 H HETATM 110 N AIB A 8 2.613 2.589 1.212 1.00 0.00 N HETATM 111 CA AIB A 8 2.794 1.832 2.498 1.00 0.00 C HETATM 112 C AIB A 8 2.110 0.404 2.504 1.00 0.00 C HETATM 113 O1 AIB A 8 2.708 -0.573 2.968 1.00 0.00 O HETATM 114 CB1 AIB A 8 2.127 2.672 3.618 1.00 0.00 C HETATM 115 CB2 AIB A 8 4.316 1.782 2.835 1.00 0.00 C HETATM 116 1HB1 AIB A 8 1.040 2.795 3.456 1.00 0.00 H HETATM 117 2HB1 AIB A 8 2.242 2.203 4.613 1.00 0.00 H HETATM 118 3HB1 AIB A 8 2.554 3.690 3.700 1.00 0.00 H HETATM 119 1HB2 AIB A 8 4.782 2.787 2.834 1.00 0.00 H HETATM 120 2HB2 AIB A 8 4.512 1.340 3.830 1.00 0.00 H HETATM 121 3HB2 AIB A 8 4.886 1.171 2.109 1.00 0.00 H HETATM 122 H AIB A 8 1.944 3.361 1.147 1.00 0.00 H ATOM 123 N LEU A 9 0.866 0.278 1.975 1.00 0.00 N ATOM 124 CA LEU A 9 0.224 -1.022 1.683 1.00 0.00 C ATOM 125 C LEU A 9 0.738 -1.785 0.423 1.00 0.00 C ATOM 126 O LEU A 9 0.373 -2.954 0.321 1.00 0.00 O ATOM 127 CB LEU A 9 -1.325 -0.843 1.603 1.00 0.00 C ATOM 128 CG LEU A 9 -2.104 -0.994 2.941 1.00 0.00 C ATOM 129 CD1 LEU A 9 -2.103 0.277 3.805 1.00 0.00 C ATOM 130 CD2 LEU A 9 -3.558 -1.452 2.699 1.00 0.00 C ATOM 131 H LEU A 9 0.458 1.117 1.557 1.00 0.00 H ATOM 132 HA LEU A 9 0.432 -1.687 2.536 1.00 0.00 H ATOM 133 1HB LEU A 9 -1.602 0.098 1.087 1.00 0.00 H ATOM 134 2HB LEU A 9 -1.721 -1.621 0.922 1.00 0.00 H ATOM 135 HG LEU A 9 -1.608 -1.788 3.526 1.00 0.00 H ATOM 136 1HD1 LEU A 9 -2.647 1.102 3.314 1.00 0.00 H ATOM 137 2HD1 LEU A 9 -2.593 0.102 4.781 1.00 0.00 H ATOM 138 3HD1 LEU A 9 -1.081 0.633 4.022 1.00 0.00 H ATOM 139 1HD2 LEU A 9 -3.596 -2.414 2.151 1.00 0.00 H ATOM 140 2HD2 LEU A 9 -4.103 -1.613 3.649 1.00 0.00 H ATOM 141 3HD2 LEU A 9 -4.138 -0.717 2.108 1.00 0.00 H HETATM 142 N AIB A 10 1.531 -1.217 -0.527 1.00 0.00 N HETATM 143 CA AIB A 10 2.016 -1.936 -1.760 1.00 0.00 C HETATM 144 C AIB A 10 2.646 -3.381 -1.495 1.00 0.00 C HETATM 145 O1 AIB A 10 2.125 -4.356 -2.057 1.00 0.00 O HETATM 146 CB1 AIB A 10 3.039 -1.039 -2.510 1.00 0.00 C HETATM 147 CB2 AIB A 10 0.794 -2.001 -2.720 1.00 0.00 C HETATM 148 1HB1 AIB A 10 3.914 -0.768 -1.900 1.00 0.00 H HETATM 149 2HB1 AIB A 10 3.438 -1.533 -3.417 1.00 0.00 H HETATM 150 3HB1 AIB A 10 2.599 -0.082 -2.845 1.00 0.00 H HETATM 151 1HB2 AIB A 10 0.359 -1.001 -2.916 1.00 0.00 H HETATM 152 2HB2 AIB A 10 1.060 -2.440 -3.701 1.00 0.00 H HETATM 153 3HB2 AIB A 10 -0.013 -2.624 -2.297 1.00 0.00 H HETATM 154 H AIB A 10 1.768 -0.228 -0.344 1.00 0.00 H HETATM 155 N HPR A 11 3.685 -3.617 -0.624 1.00 0.00 N HETATM 156 CA HPR A 11 4.112 -4.996 -0.236 1.00 0.00 C HETATM 157 C HPR A 11 3.098 -5.851 0.604 1.00 0.00 C HETATM 158 O HPR A 11 3.204 -7.080 0.607 1.00 0.00 O HETATM 159 CB HPR A 11 5.421 -4.715 0.525 1.00 0.00 C HETATM 160 CG HPR A 11 5.206 -3.366 1.216 1.00 0.00 C HETATM 161 CD HPR A 11 4.227 -2.610 0.310 1.00 0.00 C HETATM 162 OD HPR A 11 6.432 -2.663 1.376 1.00 0.00 O HETATM 163 HA HPR A 11 4.358 -5.572 -1.150 1.00 0.00 H HETATM 164 1HB HPR A 11 5.698 -5.514 1.240 1.00 0.00 H HETATM 165 2HB HPR A 11 6.261 -4.645 -0.193 1.00 0.00 H HETATM 166 1HD HPR A 11 3.414 -2.186 0.918 1.00 0.00 H HETATM 167 2HD HPR A 11 4.685 -1.765 -0.223 1.00 0.00 H HETATM 168 HOD HPR A 11 6.982 -3.221 1.932 1.00 0.00 H HETATM 169 HG HPR A 11 4.743 -3.529 2.208 1.00 0.00 H ATOM 170 N GLN A 12 2.132 -5.201 1.282 1.00 0.00 N ATOM 171 CA GLN A 12 0.992 -5.827 1.962 1.00 0.00 C ATOM 172 C GLN A 12 -0.319 -5.972 1.106 1.00 0.00 C ATOM 173 O GLN A 12 -1.327 -6.347 1.699 1.00 0.00 O ATOM 174 CB GLN A 12 0.719 -5.043 3.282 1.00 0.00 C ATOM 175 CG GLN A 12 1.853 -5.051 4.341 1.00 0.00 C ATOM 176 CD GLN A 12 1.533 -4.292 5.643 1.00 0.00 C ATOM 177 OE1 GLN A 12 0.644 -3.445 5.719 1.00 0.00 O ATOM 178 NE2 GLN A 12 2.276 -4.572 6.703 1.00 0.00 N ATOM 179 H GLN A 12 2.123 -4.196 1.198 1.00 0.00 H ATOM 180 HA GLN A 12 1.319 -6.825 2.244 1.00 0.00 H ATOM 181 1HB GLN A 12 0.448 -3.996 3.045 1.00 0.00 H ATOM 182 2HB GLN A 12 -0.178 -5.464 3.774 1.00 0.00 H ATOM 183 1HG GLN A 12 2.114 -6.103 4.574 1.00 0.00 H ATOM 184 2HG GLN A 12 2.771 -4.609 3.908 1.00 0.00 H ATOM 185 1HE2 GLN A 12 3.010 -5.274 6.576 1.00 0.00 H ATOM 186 2HE2 GLN A 12 2.060 -4.056 7.564 1.00 0.00 H HETATM 187 N AIB A 13 -0.355 -5.722 -0.235 1.00 0.00 N HETATM 188 CA AIB A 13 -1.428 -6.211 -1.172 1.00 0.00 C HETATM 189 C AIB A 13 -1.343 -7.794 -1.393 1.00 0.00 C HETATM 190 O1 AIB A 13 -2.375 -8.449 -1.212 1.00 0.00 O HETATM 191 CB1 AIB A 13 -1.215 -5.474 -2.525 1.00 0.00 C HETATM 192 CB2 AIB A 13 -2.855 -5.737 -0.740 1.00 0.00 C HETATM 193 1HB1 AIB A 13 -0.193 -5.566 -2.924 1.00 0.00 H HETATM 194 2HB1 AIB A 13 -1.895 -5.847 -3.316 1.00 0.00 H HETATM 195 3HB1 AIB A 13 -1.397 -4.386 -2.444 1.00 0.00 H HETATM 196 1HB2 AIB A 13 -2.894 -4.652 -0.527 1.00 0.00 H HETATM 197 2HB2 AIB A 13 -3.619 -5.941 -1.514 1.00 0.00 H HETATM 198 3HB2 AIB A 13 -3.215 -6.248 0.169 1.00 0.00 H HETATM 199 H AIB A 13 0.536 -5.374 -0.631 1.00 0.00 H HETATM 200 N HPR A 14 -0.197 -8.472 -1.762 1.00 0.00 N HETATM 201 CA HPR A 14 -0.148 -9.940 -2.029 1.00 0.00 C HETATM 202 C HPR A 14 -0.340 -10.883 -0.804 1.00 0.00 C HETATM 203 O HPR A 14 -1.126 -11.829 -0.911 1.00 0.00 O HETATM 204 CB HPR A 14 1.221 -10.130 -2.715 1.00 0.00 C HETATM 205 CG HPR A 14 2.089 -9.007 -2.151 1.00 0.00 C HETATM 206 CD HPR A 14 1.117 -7.840 -2.016 1.00 0.00 C HETATM 207 OD HPR A 14 3.169 -8.686 -3.016 1.00 0.00 O HETATM 208 HA HPR A 14 -0.927 -10.190 -2.773 1.00 0.00 H HETATM 209 1HB HPR A 14 1.673 -11.126 -2.547 1.00 0.00 H HETATM 210 2HB HPR A 14 1.113 -10.022 -3.812 1.00 0.00 H HETATM 211 1HD HPR A 14 1.449 -7.192 -1.195 1.00 0.00 H HETATM 212 2HD HPR A 14 1.097 -7.225 -2.930 1.00 0.00 H HETATM 213 HOD HPR A 14 2.771 -8.322 -3.809 1.00 0.00 H HETATM 214 HG HPR A 14 2.465 -9.286 -1.142 1.00 0.00 H HETATM 215 N AIB A 15 0.369 -10.643 0.330 1.00 0.00 N HETATM 216 CA AIB A 15 0.257 -11.433 1.597 1.00 0.00 C HETATM 217 C AIB A 15 -1.243 -11.677 2.084 1.00 0.00 C HETATM 218 O1 AIB A 15 -1.591 -12.845 2.304 1.00 0.00 O HETATM 219 CB1 AIB A 15 1.085 -10.676 2.673 1.00 0.00 C HETATM 220 CB2 AIB A 15 1.025 -12.774 1.374 1.00 0.00 C HETATM 221 1HB1 AIB A 15 0.767 -9.630 2.820 1.00 0.00 H HETATM 222 2HB1 AIB A 15 1.025 -11.167 3.662 1.00 0.00 H HETATM 223 3HB1 AIB A 15 2.162 -10.615 2.419 1.00 0.00 H HETATM 224 1HB2 AIB A 15 2.059 -12.619 1.005 1.00 0.00 H HETATM 225 2HB2 AIB A 15 1.108 -13.364 2.305 1.00 0.00 H HETATM 226 3HB2 AIB A 15 0.520 -13.425 0.636 1.00 0.00 H HETATM 227 H AIB A 15 0.957 -9.804 0.282 1.00 0.00 H ATOM 228 N PRO A 16 -2.193 -10.691 2.199 1.00 0.00 N ATOM 229 CA PRO A 16 -3.639 -10.973 2.405 1.00 0.00 C ATOM 230 C PRO A 16 -4.433 -11.458 1.148 1.00 0.00 C ATOM 231 O PRO A 16 -5.254 -12.366 1.311 1.00 0.00 O ATOM 232 CB PRO A 16 -4.164 -9.644 2.982 1.00 0.00 C ATOM 233 CG PRO A 16 -3.276 -8.568 2.366 1.00 0.00 C ATOM 234 CD PRO A 16 -1.914 -9.243 2.173 1.00 0.00 C ATOM 235 HA PRO A 16 -3.752 -11.747 3.191 1.00 0.00 H ATOM 236 1HB PRO A 16 -5.236 -9.465 2.780 1.00 0.00 H ATOM 237 2HB PRO A 16 -4.047 -9.636 4.082 1.00 0.00 H ATOM 238 1HG PRO A 16 -3.688 -8.254 1.387 1.00 0.00 H ATOM 239 2HG PRO A 16 -3.220 -7.665 2.999 1.00 0.00 H ATOM 240 1HD PRO A 16 -1.458 -8.926 1.222 1.00 0.00 H ATOM 241 2HD PRO A 16 -1.220 -8.952 2.978 1.00 0.00 H HETATM 242 N PHL A 17 -4.249 -10.860 -0.058 1.00 0.00 N HETATM 243 CA PHL A 17 -5.106 -11.167 -1.237 1.00 0.00 C HETATM 244 C PHL A 17 -4.234 -11.456 -2.479 1.00 0.00 C HETATM 245 O PHL A 17 -3.552 -10.304 -2.960 1.00 0.00 O HETATM 246 CB PHL A 17 -6.146 -10.035 -1.489 1.00 0.00 C HETATM 247 CG PHL A 17 -7.234 -9.893 -0.405 1.00 0.00 C HETATM 248 CD1 PHL A 17 -7.181 -8.842 0.519 1.00 0.00 C HETATM 249 CD2 PHL A 17 -8.257 -10.841 -0.307 1.00 0.00 C HETATM 250 CE1 PHL A 17 -8.133 -8.751 1.532 1.00 0.00 C HETATM 251 CE2 PHL A 17 -9.208 -10.748 0.708 1.00 0.00 C HETATM 252 CZ PHL A 17 -9.145 -9.701 1.625 1.00 0.00 C HETATM 253 H1 PHL A 17 -4.867 -11.857 -3.292 1.00 0.00 H HETATM 254 H2 PHL A 17 -3.499 -12.256 -2.264 1.00 0.00 H HETATM 255 HO PHL A 17 -3.012 -9.992 -2.230 1.00 0.00 H HETATM 256 HA PHL A 17 -5.674 -12.103 -1.071 1.00 0.00 H HETATM 257 1HB PHL A 17 -5.619 -9.072 -1.641 1.00 0.00 H HETATM 258 2HB PHL A 17 -6.650 -10.214 -2.457 1.00 0.00 H HETATM 259 HD1 PHL A 17 -6.393 -8.105 0.469 1.00 0.00 H HETATM 260 HD2 PHL A 17 -8.311 -11.667 -1.003 1.00 0.00 H HETATM 261 HE1 PHL A 17 -8.082 -7.945 2.250 1.00 0.00 H HETATM 262 HE2 PHL A 17 -9.987 -11.492 0.788 1.00 0.00 H HETATM 263 HZ PHL A 17 -9.882 -9.631 2.412 1.00 0.00 H HETATM 264 H PHL A 17 -3.565 -10.090 -0.090 1.00 0.00 H TER 265 PHL A 17 HETATM 266 C ACE A 1 -2.065 10.240 1.104 1.00 0.00 C HETATM 267 O ACE A 1 -1.940 9.211 1.773 1.00 0.00 O HETATM 268 CH3 ACE A 1 -1.124 11.417 1.333 1.00 0.00 C HETATM 269 H1 ACE A 1 -1.555 12.384 1.009 1.00 0.00 H HETATM 270 H2 ACE A 1 -0.853 11.501 2.400 1.00 0.00 H HETATM 271 H3 ACE A 1 -0.185 11.261 0.766 1.00 0.00 H ENDMDL MODEL 12 ATOM 1 N TRP A 2 -3.158 10.574 -0.146 1.00 0.00 N ATOM 2 CA TRP A 2 -3.567 9.168 -0.404 1.00 0.00 C ATOM 3 C TRP A 2 -2.552 8.303 -1.234 1.00 0.00 C ATOM 4 O TRP A 2 -2.626 7.072 -1.172 1.00 0.00 O ATOM 5 CB TRP A 2 -4.996 9.149 -1.018 1.00 0.00 C ATOM 6 CG TRP A 2 -5.783 7.870 -0.697 1.00 0.00 C ATOM 7 CD1 TRP A 2 -5.836 6.696 -1.478 1.00 0.00 C ATOM 8 CD2 TRP A 2 -6.546 7.602 0.426 1.00 0.00 C ATOM 9 NE1 TRP A 2 -6.610 5.693 -0.863 1.00 0.00 N ATOM 10 CE2 TRP A 2 -7.045 6.280 0.315 1.00 0.00 C ATOM 11 CE3 TRP A 2 -6.868 8.398 1.557 1.00 0.00 C ATOM 12 CZ2 TRP A 2 -7.880 5.747 1.327 1.00 0.00 C ATOM 13 CZ3 TRP A 2 -7.695 7.852 2.541 1.00 0.00 C ATOM 14 CH2 TRP A 2 -8.193 6.548 2.428 1.00 0.00 C ATOM 15 H TRP A 2 -3.565 11.346 -0.676 1.00 0.00 H ATOM 16 HA TRP A 2 -3.640 8.707 0.596 1.00 0.00 H ATOM 17 1HB TRP A 2 -5.596 10.001 -0.647 1.00 0.00 H ATOM 18 2HB TRP A 2 -4.951 9.306 -2.113 1.00 0.00 H ATOM 19 HD1 TRP A 2 -5.328 6.570 -2.424 1.00 0.00 H ATOM 20 HE1 TRP A 2 -6.795 4.743 -1.202 1.00 0.00 H ATOM 21 HE3 TRP A 2 -6.493 9.406 1.656 1.00 0.00 H ATOM 22 HZ2 TRP A 2 -8.272 4.744 1.250 1.00 0.00 H ATOM 23 HZ3 TRP A 2 -7.960 8.449 3.402 1.00 0.00 H ATOM 24 HH2 TRP A 2 -8.838 6.157 3.202 1.00 0.00 H ATOM 25 N ILE A 3 -1.587 8.916 -1.960 1.00 0.00 N ATOM 26 CA ILE A 3 -0.402 8.197 -2.516 1.00 0.00 C ATOM 27 C ILE A 3 0.547 7.532 -1.459 1.00 0.00 C ATOM 28 O ILE A 3 1.120 6.484 -1.761 1.00 0.00 O ATOM 29 CB ILE A 3 0.343 8.999 -3.644 1.00 0.00 C ATOM 30 CG1 ILE A 3 1.058 10.315 -3.207 1.00 0.00 C ATOM 31 CG2 ILE A 3 -0.575 9.273 -4.862 1.00 0.00 C ATOM 32 CD1 ILE A 3 2.495 10.134 -2.696 1.00 0.00 C ATOM 33 H ILE A 3 -1.635 9.940 -1.949 1.00 0.00 H ATOM 34 HA ILE A 3 -0.843 7.333 -3.034 1.00 0.00 H ATOM 35 HB ILE A 3 1.120 8.321 -4.049 1.00 0.00 H ATOM 36 1HG1 ILE A 3 1.124 11.018 -4.058 1.00 0.00 H ATOM 37 2HG1 ILE A 3 0.455 10.851 -2.451 1.00 0.00 H ATOM 38 1HG2 ILE A 3 -1.377 9.996 -4.624 1.00 0.00 H ATOM 39 2HG2 ILE A 3 -0.007 9.686 -5.717 1.00 0.00 H ATOM 40 3HG2 ILE A 3 -1.063 8.351 -5.227 1.00 0.00 H ATOM 41 1HD1 ILE A 3 3.131 9.609 -3.433 1.00 0.00 H ATOM 42 2HD1 ILE A 3 2.970 11.112 -2.499 1.00 0.00 H ATOM 43 3HD1 ILE A 3 2.538 9.558 -1.755 1.00 0.00 H ATOM 44 N GLN A 4 0.675 8.087 -0.234 1.00 0.00 N ATOM 45 CA GLN A 4 1.323 7.395 0.914 1.00 0.00 C ATOM 46 C GLN A 4 0.507 6.215 1.514 1.00 0.00 C ATOM 47 O GLN A 4 1.100 5.163 1.765 1.00 0.00 O ATOM 48 CB GLN A 4 1.731 8.377 2.042 1.00 0.00 C ATOM 49 CG GLN A 4 2.911 9.319 1.707 1.00 0.00 C ATOM 50 CD GLN A 4 2.514 10.801 1.557 1.00 0.00 C ATOM 51 OE1 GLN A 4 1.965 11.415 2.471 1.00 0.00 O ATOM 52 NE2 GLN A 4 2.797 11.416 0.421 1.00 0.00 N ATOM 53 H GLN A 4 0.108 8.927 -0.098 1.00 0.00 H ATOM 54 HA GLN A 4 2.260 6.954 0.533 1.00 0.00 H ATOM 55 1HB GLN A 4 0.848 8.936 2.409 1.00 0.00 H ATOM 56 2HB GLN A 4 2.047 7.786 2.924 1.00 0.00 H ATOM 57 1HG GLN A 4 3.655 9.240 2.522 1.00 0.00 H ATOM 58 2HG GLN A 4 3.455 8.940 0.816 1.00 0.00 H ATOM 59 1HE2 GLN A 4 3.245 10.852 -0.308 1.00 0.00 H ATOM 60 2HE2 GLN A 4 2.519 12.401 0.350 1.00 0.00 H HETATM 61 N DIV A 5 -0.822 6.375 1.742 1.00 0.00 N HETATM 62 CA DIV A 5 -1.757 5.279 2.180 1.00 0.00 C HETATM 63 CB1 DIV A 5 -1.499 5.023 3.714 1.00 0.00 C HETATM 64 CG1 DIV A 5 -2.470 4.106 4.491 1.00 0.00 C HETATM 65 CB2 DIV A 5 -3.188 5.872 2.022 1.00 0.00 C HETATM 66 C DIV A 5 -1.615 3.980 1.276 1.00 0.00 C HETATM 67 O DIV A 5 -1.367 2.885 1.794 1.00 0.00 O HETATM 68 1HB1 DIV A 5 -0.481 4.609 3.845 1.00 0.00 H HETATM 69 2HB1 DIV A 5 -1.470 5.987 4.258 1.00 0.00 H HETATM 70 1HG1 DIV A 5 -2.633 3.136 3.988 1.00 0.00 H HETATM 71 2HG1 DIV A 5 -2.077 3.886 5.500 1.00 0.00 H HETATM 72 3HG1 DIV A 5 -3.458 4.581 4.629 1.00 0.00 H HETATM 73 1HB2 DIV A 5 -3.424 6.156 0.981 1.00 0.00 H HETATM 74 2HB2 DIV A 5 -3.973 5.147 2.315 1.00 0.00 H HETATM 75 3HB2 DIV A 5 -3.347 6.776 2.641 1.00 0.00 H HETATM 76 H DIV A 5 -1.167 7.301 1.472 1.00 0.00 H ATOM 77 N ILE A 6 -1.697 4.107 -0.076 1.00 0.00 N ATOM 78 CA ILE A 6 -1.487 2.982 -1.025 1.00 0.00 C ATOM 79 C ILE A 6 -0.019 2.453 -1.118 1.00 0.00 C ATOM 80 O ILE A 6 0.142 1.236 -1.079 1.00 0.00 O ATOM 81 CB ILE A 6 -2.205 3.219 -2.399 1.00 0.00 C ATOM 82 CG1 ILE A 6 -2.414 1.889 -3.187 1.00 0.00 C ATOM 83 CG2 ILE A 6 -1.533 4.302 -3.278 1.00 0.00 C ATOM 84 CD1 ILE A 6 -3.414 1.959 -4.352 1.00 0.00 C ATOM 85 H ILE A 6 -1.962 5.028 -0.427 1.00 0.00 H ATOM 86 HA ILE A 6 -2.058 2.167 -0.559 1.00 0.00 H ATOM 87 HB ILE A 6 -3.219 3.593 -2.159 1.00 0.00 H ATOM 88 1HG1 ILE A 6 -1.444 1.513 -3.563 1.00 0.00 H ATOM 89 2HG1 ILE A 6 -2.772 1.102 -2.495 1.00 0.00 H ATOM 90 1HG2 ILE A 6 -0.558 3.968 -3.678 1.00 0.00 H ATOM 91 2HG2 ILE A 6 -2.163 4.584 -4.140 1.00 0.00 H ATOM 92 3HG2 ILE A 6 -1.348 5.223 -2.703 1.00 0.00 H ATOM 93 1HD1 ILE A 6 -3.096 2.676 -5.130 1.00 0.00 H ATOM 94 2HD1 ILE A 6 -3.518 0.975 -4.845 1.00 0.00 H ATOM 95 3HD1 ILE A 6 -4.419 2.261 -4.006 1.00 0.00 H ATOM 96 N THR A 7 1.027 3.304 -1.228 1.00 0.00 N ATOM 97 CA THR A 7 2.456 2.844 -1.312 1.00 0.00 C ATOM 98 C THR A 7 2.952 2.025 -0.068 1.00 0.00 C ATOM 99 O THR A 7 3.576 0.977 -0.246 1.00 0.00 O ATOM 100 CB THR A 7 3.384 4.049 -1.669 1.00 0.00 C ATOM 101 OG1 THR A 7 2.963 4.636 -2.898 1.00 0.00 O ATOM 102 CG2 THR A 7 4.876 3.706 -1.848 1.00 0.00 C ATOM 103 H THR A 7 0.771 4.298 -1.266 1.00 0.00 H ATOM 104 HA THR A 7 2.509 2.153 -2.176 1.00 0.00 H ATOM 105 HB THR A 7 3.302 4.817 -0.876 1.00 0.00 H ATOM 106 HG1 THR A 7 3.496 5.426 -3.009 1.00 0.00 H ATOM 107 1HG2 THR A 7 5.462 4.596 -2.145 1.00 0.00 H ATOM 108 2HG2 THR A 7 5.327 3.327 -0.912 1.00 0.00 H ATOM 109 3HG2 THR A 7 5.028 2.935 -2.624 1.00 0.00 H HETATM 110 N AIB A 8 2.640 2.482 1.164 1.00 0.00 N HETATM 111 CA AIB A 8 2.741 1.678 2.431 1.00 0.00 C HETATM 112 C AIB A 8 1.952 0.307 2.412 1.00 0.00 C HETATM 113 O1 AIB A 8 2.431 -0.700 2.945 1.00 0.00 O HETATM 114 CB1 AIB A 8 2.106 2.563 3.538 1.00 0.00 C HETATM 115 CB2 AIB A 8 4.242 1.495 2.806 1.00 0.00 C HETATM 116 1HB1 AIB A 8 1.045 2.800 3.327 1.00 0.00 H HETATM 117 2HB1 AIB A 8 2.121 2.068 4.528 1.00 0.00 H HETATM 118 3HB1 AIB A 8 2.626 3.533 3.664 1.00 0.00 H HETATM 119 1HB2 AIB A 8 4.793 2.455 2.835 1.00 0.00 H HETATM 120 2HB2 AIB A 8 4.369 1.027 3.801 1.00 0.00 H HETATM 121 3HB2 AIB A 8 4.773 0.845 2.085 1.00 0.00 H HETATM 122 H AIB A 8 1.993 3.270 1.100 1.00 0.00 H ATOM 123 N LEU A 9 0.746 0.268 1.796 1.00 0.00 N ATOM 124 CA LEU A 9 0.008 -0.984 1.515 1.00 0.00 C ATOM 125 C LEU A 9 0.513 -1.818 0.301 1.00 0.00 C ATOM 126 O LEU A 9 0.105 -2.978 0.225 1.00 0.00 O ATOM 127 CB LEU A 9 -1.499 -0.644 1.329 1.00 0.00 C ATOM 128 CG LEU A 9 -2.352 -0.456 2.614 1.00 0.00 C ATOM 129 CD1 LEU A 9 -3.725 0.137 2.243 1.00 0.00 C ATOM 130 CD2 LEU A 9 -2.542 -1.775 3.398 1.00 0.00 C ATOM 131 H LEU A 9 0.495 1.089 1.240 1.00 0.00 H ATOM 132 HA LEU A 9 0.109 -1.633 2.396 1.00 0.00 H ATOM 133 1HB LEU A 9 -1.594 0.250 0.683 1.00 0.00 H ATOM 134 2HB LEU A 9 -1.987 -1.433 0.729 1.00 0.00 H ATOM 135 HG LEU A 9 -1.847 0.272 3.277 1.00 0.00 H ATOM 136 1HD1 LEU A 9 -4.304 -0.533 1.578 1.00 0.00 H ATOM 137 2HD1 LEU A 9 -4.345 0.328 3.139 1.00 0.00 H ATOM 138 3HD1 LEU A 9 -3.619 1.106 1.718 1.00 0.00 H ATOM 139 1HD2 LEU A 9 -1.585 -2.163 3.793 1.00 0.00 H ATOM 140 2HD2 LEU A 9 -3.208 -1.642 4.272 1.00 0.00 H ATOM 141 3HD2 LEU A 9 -2.982 -2.575 2.771 1.00 0.00 H HETATM 142 N AIB A 10 1.348 -1.296 -0.639 1.00 0.00 N HETATM 143 CA AIB A 10 1.830 -2.045 -1.850 1.00 0.00 C HETATM 144 C AIB A 10 2.486 -3.467 -1.533 1.00 0.00 C HETATM 145 O1 AIB A 10 2.011 -4.459 -2.101 1.00 0.00 O HETATM 146 CB1 AIB A 10 2.841 -1.148 -2.612 1.00 0.00 C HETATM 147 CB2 AIB A 10 0.613 -2.156 -2.815 1.00 0.00 C HETATM 148 1HB1 AIB A 10 3.740 -0.902 -2.024 1.00 0.00 H HETATM 149 2HB1 AIB A 10 3.205 -1.633 -3.538 1.00 0.00 H HETATM 150 3HB1 AIB A 10 2.404 -0.178 -2.918 1.00 0.00 H HETATM 151 1HB2 AIB A 10 0.161 -1.170 -3.040 1.00 0.00 H HETATM 152 2HB2 AIB A 10 0.893 -2.618 -3.780 1.00 0.00 H HETATM 153 3HB2 AIB A 10 -0.186 -2.784 -2.381 1.00 0.00 H HETATM 154 H AIB A 10 1.683 -0.340 -0.415 1.00 0.00 H HETATM 155 N HPR A 11 3.501 -3.669 -0.627 1.00 0.00 N HETATM 156 CA HPR A 11 3.940 -5.030 -0.189 1.00 0.00 C HETATM 157 C HPR A 11 2.929 -5.876 0.662 1.00 0.00 C HETATM 158 O HPR A 11 3.100 -7.094 0.761 1.00 0.00 O HETATM 159 CB HPR A 11 5.219 -4.711 0.607 1.00 0.00 C HETATM 160 CG HPR A 11 4.951 -3.352 1.257 1.00 0.00 C HETATM 161 CD HPR A 11 4.056 -2.619 0.251 1.00 0.00 C HETATM 162 OD HPR A 11 6.158 -2.646 1.518 1.00 0.00 O HETATM 163 HA HPR A 11 4.214 -5.629 -1.079 1.00 0.00 H HETATM 164 1HB HPR A 11 5.473 -5.488 1.353 1.00 0.00 H HETATM 165 2HB HPR A 11 6.085 -4.644 -0.081 1.00 0.00 H HETATM 166 1HD HPR A 11 3.260 -2.086 0.794 1.00 0.00 H HETATM 167 2HD HPR A 11 4.593 -1.868 -0.340 1.00 0.00 H HETATM 168 HOD HPR A 11 6.597 -3.136 2.219 1.00 0.00 H HETATM 169 HG HPR A 11 4.398 -3.502 2.206 1.00 0.00 H ATOM 170 N GLN A 12 1.899 -5.236 1.246 1.00 0.00 N ATOM 171 CA GLN A 12 0.750 -5.883 1.891 1.00 0.00 C ATOM 172 C GLN A 12 -0.532 -6.024 0.996 1.00 0.00 C ATOM 173 O GLN A 12 -1.563 -6.386 1.561 1.00 0.00 O ATOM 174 CB GLN A 12 0.457 -5.137 3.225 1.00 0.00 C ATOM 175 CG GLN A 12 1.553 -5.261 4.313 1.00 0.00 C ATOM 176 CD GLN A 12 1.216 -4.470 5.586 1.00 0.00 C ATOM 177 OE1 GLN A 12 0.534 -4.964 6.483 1.00 0.00 O ATOM 178 NE2 GLN A 12 1.675 -3.232 5.689 1.00 0.00 N ATOM 179 H GLN A 12 1.850 -4.238 1.101 1.00 0.00 H ATOM 180 HA GLN A 12 1.071 -6.888 2.150 1.00 0.00 H ATOM 181 1HB GLN A 12 0.258 -4.067 3.016 1.00 0.00 H ATOM 182 2HB GLN A 12 -0.483 -5.520 3.666 1.00 0.00 H ATOM 183 1HG GLN A 12 1.689 -6.326 4.581 1.00 0.00 H ATOM 184 2HG GLN A 12 2.533 -4.937 3.912 1.00 0.00 H ATOM 185 1HE2 GLN A 12 2.250 -2.886 4.913 1.00 0.00 H ATOM 186 2HE2 GLN A 12 1.442 -2.728 6.553 1.00 0.00 H HETATM 187 N AIB A 13 -0.514 -5.809 -0.351 1.00 0.00 N HETATM 188 CA AIB A 13 -1.501 -6.402 -1.318 1.00 0.00 C HETATM 189 C AIB A 13 -1.292 -7.978 -1.472 1.00 0.00 C HETATM 190 O1 AIB A 13 -2.286 -8.698 -1.320 1.00 0.00 O HETATM 191 CB1 AIB A 13 -1.277 -5.702 -2.688 1.00 0.00 C HETATM 192 CB2 AIB A 13 -2.980 -6.018 -0.972 1.00 0.00 C HETATM 193 1HB1 AIB A 13 -0.232 -5.730 -3.036 1.00 0.00 H HETATM 194 2HB1 AIB A 13 -1.888 -6.159 -3.494 1.00 0.00 H HETATM 195 3HB1 AIB A 13 -1.548 -4.628 -2.667 1.00 0.00 H HETATM 196 1HB2 AIB A 13 -3.111 -4.928 -0.820 1.00 0.00 H HETATM 197 2HB2 AIB A 13 -3.689 -6.323 -1.765 1.00 0.00 H HETATM 198 3HB2 AIB A 13 -3.343 -6.511 -0.053 1.00 0.00 H HETATM 199 H AIB A 13 0.388 -5.451 -0.714 1.00 0.00 H HETATM 200 N HPR A 14 -0.083 -8.591 -1.745 1.00 0.00 N HETATM 201 CA HPR A 14 0.073 -10.062 -1.941 1.00 0.00 C HETATM 202 C HPR A 14 -0.090 -10.972 -0.684 1.00 0.00 C HETATM 203 O HPR A 14 -0.761 -12.000 -0.796 1.00 0.00 O HETATM 204 CB HPR A 14 1.472 -10.182 -2.579 1.00 0.00 C HETATM 205 CG HPR A 14 2.241 -8.983 -2.029 1.00 0.00 C HETATM 206 CD HPR A 14 1.188 -7.878 -1.991 1.00 0.00 C HETATM 207 OD HPR A 14 3.340 -8.626 -2.856 1.00 0.00 O HETATM 208 HA HPR A 14 -0.666 -10.398 -2.693 1.00 0.00 H HETATM 209 1HB HPR A 14 1.984 -11.140 -2.361 1.00 0.00 H HETATM 210 2HB HPR A 14 1.391 -10.118 -3.681 1.00 0.00 H HETATM 211 1HD HPR A 14 1.444 -7.163 -1.198 1.00 0.00 H HETATM 212 2HD HPR A 14 1.154 -7.315 -2.939 1.00 0.00 H HETATM 213 HOD HPR A 14 2.960 -8.298 -3.676 1.00 0.00 H HETATM 214 HG HPR A 14 2.586 -9.193 -0.994 1.00 0.00 H HETATM 215 N AIB A 15 0.520 -10.623 0.479 1.00 0.00 N HETATM 216 CA AIB A 15 0.408 -11.391 1.765 1.00 0.00 C HETATM 217 C AIB A 15 -1.098 -11.714 2.195 1.00 0.00 C HETATM 218 O1 AIB A 15 -1.395 -12.897 2.399 1.00 0.00 O HETATM 219 CB1 AIB A 15 1.155 -10.564 2.849 1.00 0.00 C HETATM 220 CB2 AIB A 15 1.260 -12.693 1.615 1.00 0.00 C HETATM 221 1HB1 AIB A 15 0.798 -9.525 2.940 1.00 0.00 H HETATM 222 2HB1 AIB A 15 1.065 -11.021 3.853 1.00 0.00 H HETATM 223 3HB1 AIB A 15 2.241 -10.473 2.645 1.00 0.00 H HETATM 224 1HB2 AIB A 15 2.296 -12.490 1.280 1.00 0.00 H HETATM 225 2HB2 AIB A 15 1.336 -13.249 2.569 1.00 0.00 H HETATM 226 3HB2 AIB A 15 0.823 -13.393 0.880 1.00 0.00 H HETATM 227 H AIB A 15 1.029 -9.734 0.441 1.00 0.00 H ATOM 228 N PRO A 16 -2.100 -10.778 2.287 1.00 0.00 N ATOM 229 CA PRO A 16 -3.540 -11.134 2.439 1.00 0.00 C ATOM 230 C PRO A 16 -4.257 -11.663 1.148 1.00 0.00 C ATOM 231 O PRO A 16 -5.026 -12.621 1.261 1.00 0.00 O ATOM 232 CB PRO A 16 -4.151 -9.827 2.979 1.00 0.00 C ATOM 233 CG PRO A 16 -3.294 -8.713 2.386 1.00 0.00 C ATOM 234 CD PRO A 16 -1.897 -9.320 2.223 1.00 0.00 C ATOM 235 HA PRO A 16 -3.646 -11.907 3.227 1.00 0.00 H ATOM 236 1HB PRO A 16 -5.224 -9.703 2.733 1.00 0.00 H ATOM 237 2HB PRO A 16 -4.078 -9.800 4.083 1.00 0.00 H ATOM 238 1HG PRO A 16 -3.695 -8.416 1.398 1.00 0.00 H ATOM 239 2HG PRO A 16 -3.293 -7.805 3.017 1.00 0.00 H ATOM 240 1HD PRO A 16 -1.453 -9.007 1.264 1.00 0.00 H ATOM 241 2HD PRO A 16 -1.224 -8.969 3.023 1.00 0.00 H HETATM 242 N PHL A 17 -4.036 -11.045 -0.037 1.00 0.00 N HETATM 243 CA PHL A 17 -4.732 -11.419 -1.299 1.00 0.00 C HETATM 244 C PHL A 17 -3.685 -12.010 -2.271 1.00 0.00 C HETATM 245 O PHL A 17 -4.312 -12.509 -3.445 1.00 0.00 O HETATM 246 CB PHL A 17 -5.461 -10.190 -1.917 1.00 0.00 C HETATM 247 CG PHL A 17 -6.659 -9.655 -1.108 1.00 0.00 C HETATM 248 CD1 PHL A 17 -7.901 -10.296 -1.185 1.00 0.00 C HETATM 249 CD2 PHL A 17 -6.516 -8.531 -0.288 1.00 0.00 C HETATM 250 CE1 PHL A 17 -8.980 -9.828 -0.439 1.00 0.00 C HETATM 251 CE2 PHL A 17 -7.599 -8.066 0.461 1.00 0.00 C HETATM 252 CZ PHL A 17 -8.827 -8.715 0.385 1.00 0.00 C HETATM 253 H1 PHL A 17 -3.136 -12.844 -1.795 1.00 0.00 H HETATM 254 H2 PHL A 17 -2.922 -11.257 -2.548 1.00 0.00 H HETATM 255 HO PHL A 17 -4.852 -11.790 -3.782 1.00 0.00 H HETATM 256 HA PHL A 17 -5.488 -12.209 -1.117 1.00 0.00 H HETATM 257 1HB PHL A 17 -4.737 -9.374 -2.114 1.00 0.00 H HETATM 258 2HB PHL A 17 -5.830 -10.458 -2.927 1.00 0.00 H HETATM 259 HD1 PHL A 17 -8.033 -11.162 -1.818 1.00 0.00 H HETATM 260 HD2 PHL A 17 -5.569 -8.016 -0.219 1.00 0.00 H HETATM 261 HE1 PHL A 17 -9.935 -10.329 -0.499 1.00 0.00 H HETATM 262 HE2 PHL A 17 -7.483 -7.201 1.096 1.00 0.00 H HETATM 263 HZ PHL A 17 -9.667 -8.355 0.966 1.00 0.00 H HETATM 264 H PHL A 17 -3.360 -10.271 -0.005 1.00 0.00 H TER 265 PHL A 17 HETATM 266 C ACE A 1 -2.127 10.891 0.654 1.00 0.00 C HETATM 267 O ACE A 1 -1.562 10.092 1.405 1.00 0.00 O HETATM 268 CH3 ACE A 1 -1.617 12.319 0.512 1.00 0.00 C HETATM 269 H1 ACE A 1 -1.257 12.503 -0.519 1.00 0.00 H HETATM 270 H2 ACE A 1 -2.405 13.058 0.739 1.00 0.00 H HETATM 271 H3 ACE A 1 -0.763 12.502 1.189 1.00 0.00 H ENDMDL MODEL 13 ATOM 1 N TRP A 2 -2.959 10.403 0.130 1.00 0.00 N ATOM 2 CA TRP A 2 -3.624 9.272 -0.573 1.00 0.00 C ATOM 3 C TRP A 2 -2.617 8.330 -1.316 1.00 0.00 C ATOM 4 O TRP A 2 -2.742 7.106 -1.222 1.00 0.00 O ATOM 5 CB TRP A 2 -4.734 9.786 -1.537 1.00 0.00 C ATOM 6 CG TRP A 2 -5.875 10.607 -0.904 1.00 0.00 C ATOM 7 CD1 TRP A 2 -6.749 10.167 0.115 1.00 0.00 C ATOM 8 CD2 TRP A 2 -6.249 11.917 -1.168 1.00 0.00 C ATOM 9 NE1 TRP A 2 -7.651 11.174 0.507 1.00 0.00 N ATOM 10 CE2 TRP A 2 -7.322 12.251 -0.303 1.00 0.00 C ATOM 11 CE3 TRP A 2 -5.749 12.876 -2.090 1.00 0.00 C ATOM 12 CZ2 TRP A 2 -7.897 13.546 -0.346 1.00 0.00 C ATOM 13 CZ3 TRP A 2 -6.337 14.141 -2.120 1.00 0.00 C ATOM 14 CH2 TRP A 2 -7.391 14.472 -1.259 1.00 0.00 C ATOM 15 H TRP A 2 -2.947 11.333 -0.287 1.00 0.00 H ATOM 16 HA TRP A 2 -4.130 8.678 0.205 1.00 0.00 H ATOM 17 1HB TRP A 2 -4.265 10.368 -2.353 1.00 0.00 H ATOM 18 2HB TRP A 2 -5.195 8.919 -2.050 1.00 0.00 H ATOM 19 HD1 TRP A 2 -6.720 9.183 0.559 1.00 0.00 H ATOM 20 HE1 TRP A 2 -8.375 11.128 1.230 1.00 0.00 H ATOM 21 HE3 TRP A 2 -4.936 12.639 -2.760 1.00 0.00 H ATOM 22 HZ2 TRP A 2 -8.708 13.817 0.314 1.00 0.00 H ATOM 23 HZ3 TRP A 2 -5.973 14.881 -2.819 1.00 0.00 H ATOM 24 HH2 TRP A 2 -7.820 15.463 -1.302 1.00 0.00 H ATOM 25 N ILE A 3 -1.608 8.904 -2.016 1.00 0.00 N ATOM 26 CA ILE A 3 -0.427 8.147 -2.536 1.00 0.00 C ATOM 27 C ILE A 3 0.474 7.463 -1.457 1.00 0.00 C ATOM 28 O ILE A 3 0.969 6.363 -1.703 1.00 0.00 O ATOM 29 CB ILE A 3 0.389 8.940 -3.621 1.00 0.00 C ATOM 30 CG1 ILE A 3 1.098 10.244 -3.131 1.00 0.00 C ATOM 31 CG2 ILE A 3 -0.469 9.229 -4.879 1.00 0.00 C ATOM 32 CD1 ILE A 3 2.545 10.059 -2.642 1.00 0.00 C ATOM 33 H ILE A 3 -1.628 9.929 -2.026 1.00 0.00 H ATOM 34 HA ILE A 3 -0.868 7.295 -3.070 1.00 0.00 H ATOM 35 HB ILE A 3 1.176 8.255 -3.991 1.00 0.00 H ATOM 36 1HG1 ILE A 3 1.139 10.997 -3.941 1.00 0.00 H ATOM 37 2HG1 ILE A 3 0.501 10.731 -2.337 1.00 0.00 H ATOM 38 1HG2 ILE A 3 -1.279 9.952 -4.672 1.00 0.00 H ATOM 39 2HG2 ILE A 3 0.139 9.643 -5.705 1.00 0.00 H ATOM 40 3HG2 ILE A 3 -0.945 8.309 -5.267 1.00 0.00 H ATOM 41 1HD1 ILE A 3 3.215 9.764 -3.469 1.00 0.00 H ATOM 42 2HD1 ILE A 3 2.944 10.997 -2.215 1.00 0.00 H ATOM 43 3HD1 ILE A 3 2.634 9.285 -1.860 1.00 0.00 H ATOM 44 N GLN A 4 0.657 8.087 -0.281 1.00 0.00 N ATOM 45 CA GLN A 4 1.340 7.466 0.890 1.00 0.00 C ATOM 46 C GLN A 4 0.556 6.309 1.571 1.00 0.00 C ATOM 47 O GLN A 4 1.165 5.276 1.857 1.00 0.00 O ATOM 48 CB GLN A 4 1.736 8.569 1.907 1.00 0.00 C ATOM 49 CG GLN A 4 3.018 9.329 1.506 1.00 0.00 C ATOM 50 CD GLN A 4 3.280 10.590 2.348 1.00 0.00 C ATOM 51 OE1 GLN A 4 3.408 10.535 3.571 1.00 0.00 O ATOM 52 NE2 GLN A 4 3.379 11.751 1.715 1.00 0.00 N ATOM 53 H GLN A 4 0.174 8.986 -0.215 1.00 0.00 H ATOM 54 HA GLN A 4 2.274 7.012 0.514 1.00 0.00 H ATOM 55 1HB GLN A 4 0.893 9.274 2.054 1.00 0.00 H ATOM 56 2HB GLN A 4 1.908 8.129 2.908 1.00 0.00 H ATOM 57 1HG GLN A 4 3.877 8.640 1.608 1.00 0.00 H ATOM 58 2HG GLN A 4 2.978 9.573 0.426 1.00 0.00 H ATOM 59 1HE2 GLN A 4 3.280 11.729 0.694 1.00 0.00 H ATOM 60 2HE2 GLN A 4 3.604 12.568 2.292 1.00 0.00 H HETATM 61 N DIV A 5 -0.772 6.459 1.795 1.00 0.00 N HETATM 62 CA DIV A 5 -1.707 5.359 2.216 1.00 0.00 C HETATM 63 CB1 DIV A 5 -1.483 5.108 3.755 1.00 0.00 C HETATM 64 CG1 DIV A 5 -2.461 4.174 4.499 1.00 0.00 C HETATM 65 CB2 DIV A 5 -3.139 5.944 2.031 1.00 0.00 C HETATM 66 C DIV A 5 -1.541 4.066 1.309 1.00 0.00 C HETATM 67 O DIV A 5 -1.246 2.986 1.829 1.00 0.00 O HETATM 68 1HB1 DIV A 5 -0.463 4.716 3.917 1.00 0.00 H HETATM 69 2HB1 DIV A 5 -1.493 6.073 4.297 1.00 0.00 H HETATM 70 1HG1 DIV A 5 -2.520 3.176 4.034 1.00 0.00 H HETATM 71 2HG1 DIV A 5 -2.148 4.026 5.548 1.00 0.00 H HETATM 72 3HG1 DIV A 5 -3.487 4.584 4.526 1.00 0.00 H HETATM 73 1HB2 DIV A 5 -3.349 6.249 0.990 1.00 0.00 H HETATM 74 2HB2 DIV A 5 -3.922 5.206 2.287 1.00 0.00 H HETATM 75 3HB2 DIV A 5 -3.323 6.833 2.663 1.00 0.00 H HETATM 76 H DIV A 5 -1.122 7.386 1.528 1.00 0.00 H ATOM 77 N ILE A 6 -1.658 4.175 -0.043 1.00 0.00 N ATOM 78 CA ILE A 6 -1.477 3.020 -0.968 1.00 0.00 C ATOM 79 C ILE A 6 -0.014 2.487 -1.108 1.00 0.00 C ATOM 80 O ILE A 6 0.143 1.270 -1.057 1.00 0.00 O ATOM 81 CB ILE A 6 -2.276 3.177 -2.308 1.00 0.00 C ATOM 82 CG1 ILE A 6 -2.492 1.803 -3.017 1.00 0.00 C ATOM 83 CG2 ILE A 6 -1.692 4.245 -3.263 1.00 0.00 C ATOM 84 CD1 ILE A 6 -3.559 1.769 -4.125 1.00 0.00 C ATOM 85 H ILE A 6 -1.995 5.076 -0.393 1.00 0.00 H ATOM 86 HA ILE A 6 -2.013 2.216 -0.447 1.00 0.00 H ATOM 87 HB ILE A 6 -3.288 3.532 -2.027 1.00 0.00 H ATOM 88 1HG1 ILE A 6 -1.535 1.430 -3.429 1.00 0.00 H ATOM 89 2HG1 ILE A 6 -2.787 1.045 -2.266 1.00 0.00 H ATOM 90 1HG2 ILE A 6 -0.698 3.963 -3.654 1.00 0.00 H ATOM 91 2HG2 ILE A 6 -2.349 4.430 -4.131 1.00 0.00 H ATOM 92 3HG2 ILE A 6 -1.576 5.212 -2.746 1.00 0.00 H ATOM 93 1HD1 ILE A 6 -3.306 2.439 -4.967 1.00 0.00 H ATOM 94 2HD1 ILE A 6 -3.661 0.750 -4.542 1.00 0.00 H ATOM 95 3HD1 ILE A 6 -4.554 2.067 -3.744 1.00 0.00 H ATOM 96 N THR A 7 1.035 3.330 -1.243 1.00 0.00 N ATOM 97 CA THR A 7 2.464 2.867 -1.305 1.00 0.00 C ATOM 98 C THR A 7 2.939 2.033 -0.063 1.00 0.00 C ATOM 99 O THR A 7 3.567 0.985 -0.239 1.00 0.00 O ATOM 100 CB THR A 7 3.413 4.067 -1.622 1.00 0.00 C ATOM 101 OG1 THR A 7 3.011 4.708 -2.829 1.00 0.00 O ATOM 102 CG2 THR A 7 4.897 3.696 -1.812 1.00 0.00 C ATOM 103 H THR A 7 0.787 4.325 -1.264 1.00 0.00 H ATOM 104 HA THR A 7 2.528 2.186 -2.176 1.00 0.00 H ATOM 105 HB THR A 7 3.345 4.806 -0.801 1.00 0.00 H ATOM 106 HG1 THR A 7 3.605 5.454 -2.942 1.00 0.00 H ATOM 107 1HG2 THR A 7 5.507 4.581 -2.073 1.00 0.00 H ATOM 108 2HG2 THR A 7 5.337 3.266 -0.894 1.00 0.00 H ATOM 109 3HG2 THR A 7 5.030 2.951 -2.619 1.00 0.00 H HETATM 110 N AIB A 8 2.605 2.483 1.166 1.00 0.00 N HETATM 111 CA AIB A 8 2.697 1.675 2.428 1.00 0.00 C HETATM 112 C AIB A 8 1.907 0.305 2.390 1.00 0.00 C HETATM 113 O1 AIB A 8 2.377 -0.708 2.921 1.00 0.00 O HETATM 114 CB1 AIB A 8 2.057 2.553 3.535 1.00 0.00 C HETATM 115 CB2 AIB A 8 4.193 1.485 2.817 1.00 0.00 C HETATM 116 1HB1 AIB A 8 0.993 2.780 3.331 1.00 0.00 H HETATM 117 2HB1 AIB A 8 2.084 2.060 4.526 1.00 0.00 H HETATM 118 3HB1 AIB A 8 2.569 3.528 3.656 1.00 0.00 H HETATM 119 1HB2 AIB A 8 4.748 2.443 2.843 1.00 0.00 H HETATM 120 2HB2 AIB A 8 4.308 1.025 3.818 1.00 0.00 H HETATM 121 3HB2 AIB A 8 4.727 0.827 2.107 1.00 0.00 H HETATM 122 H AIB A 8 1.936 3.254 1.094 1.00 0.00 H ATOM 123 N LEU A 9 0.709 0.267 1.761 1.00 0.00 N ATOM 124 CA LEU A 9 -0.025 -0.983 1.460 1.00 0.00 C ATOM 125 C LEU A 9 0.500 -1.821 0.257 1.00 0.00 C ATOM 126 O LEU A 9 0.079 -2.973 0.170 1.00 0.00 O ATOM 127 CB LEU A 9 -1.531 -0.636 1.279 1.00 0.00 C ATOM 128 CG LEU A 9 -2.453 -0.681 2.528 1.00 0.00 C ATOM 129 CD1 LEU A 9 -2.837 -2.126 2.915 1.00 0.00 C ATOM 130 CD2 LEU A 9 -1.946 0.091 3.761 1.00 0.00 C ATOM 131 H LEU A 9 0.396 1.122 1.289 1.00 0.00 H ATOM 132 HA LEU A 9 0.042 -1.639 2.337 1.00 0.00 H ATOM 133 1HB LEU A 9 -1.644 0.351 0.792 1.00 0.00 H ATOM 134 2HB LEU A 9 -1.975 -1.322 0.537 1.00 0.00 H ATOM 135 HG LEU A 9 -3.375 -0.167 2.206 1.00 0.00 H ATOM 136 1HD1 LEU A 9 -1.970 -2.708 3.278 1.00 0.00 H ATOM 137 2HD1 LEU A 9 -3.604 -2.147 3.712 1.00 0.00 H ATOM 138 3HD1 LEU A 9 -3.263 -2.682 2.057 1.00 0.00 H ATOM 139 1HD2 LEU A 9 -1.674 1.127 3.507 1.00 0.00 H ATOM 140 2HD2 LEU A 9 -2.720 0.148 4.548 1.00 0.00 H ATOM 141 3HD2 LEU A 9 -1.050 -0.376 4.208 1.00 0.00 H HETATM 142 N AIB A 10 1.367 -1.310 -0.659 1.00 0.00 N HETATM 143 CA AIB A 10 1.882 -2.076 -1.848 1.00 0.00 C HETATM 144 C AIB A 10 2.507 -3.507 -1.509 1.00 0.00 C HETATM 145 O1 AIB A 10 2.026 -4.496 -2.080 1.00 0.00 O HETATM 146 CB1 AIB A 10 2.926 -1.192 -2.583 1.00 0.00 C HETATM 147 CB2 AIB A 10 0.691 -2.177 -2.847 1.00 0.00 C HETATM 148 1HB1 AIB A 10 3.803 -0.944 -1.964 1.00 0.00 H HETATM 149 2HB1 AIB A 10 3.322 -1.691 -3.489 1.00 0.00 H HETATM 150 3HB1 AIB A 10 2.505 -0.223 -2.916 1.00 0.00 H HETATM 151 1HB2 AIB A 10 0.254 -1.188 -3.090 1.00 0.00 H HETATM 152 2HB2 AIB A 10 0.989 -2.648 -3.801 1.00 0.00 H HETATM 153 3HB2 AIB A 10 -0.128 -2.794 -2.434 1.00 0.00 H HETATM 154 H AIB A 10 1.696 -0.354 -0.434 1.00 0.00 H HETATM 155 N HPR A 11 3.501 -3.723 -0.579 1.00 0.00 N HETATM 156 CA HPR A 11 3.901 -5.090 -0.121 1.00 0.00 C HETATM 157 C HPR A 11 2.849 -5.904 0.710 1.00 0.00 C HETATM 158 O HPR A 11 2.993 -7.123 0.839 1.00 0.00 O HETATM 159 CB HPR A 11 5.165 -4.789 0.705 1.00 0.00 C HETATM 160 CG HPR A 11 4.905 -3.422 1.341 1.00 0.00 C HETATM 161 CD HPR A 11 4.038 -2.681 0.317 1.00 0.00 C HETATM 162 OD HPR A 11 6.119 -2.735 1.618 1.00 0.00 O HETATM 163 HA HPR A 11 4.193 -5.704 -0.995 1.00 0.00 H HETATM 164 1HB HPR A 11 5.381 -5.563 1.465 1.00 0.00 H HETATM 165 2HB HPR A 11 6.052 -4.742 0.042 1.00 0.00 H HETATM 166 1HD HPR A 11 3.228 -2.155 0.842 1.00 0.00 H HETATM 167 2HD HPR A 11 4.585 -1.921 -0.255 1.00 0.00 H HETATM 168 HOD HPR A 11 6.582 -3.270 2.267 1.00 0.00 H HETATM 169 HG HPR A 11 4.335 -3.555 2.281 1.00 0.00 H ATOM 170 N GLN A 12 1.807 -5.235 1.240 1.00 0.00 N ATOM 171 CA GLN A 12 0.625 -5.845 1.858 1.00 0.00 C ATOM 172 C GLN A 12 -0.626 -6.021 0.938 1.00 0.00 C ATOM 173 O GLN A 12 -1.659 -6.412 1.478 1.00 0.00 O ATOM 174 CB GLN A 12 0.299 -5.039 3.153 1.00 0.00 C ATOM 175 CG GLN A 12 1.325 -5.156 4.309 1.00 0.00 C ATOM 176 CD GLN A 12 1.341 -6.491 5.083 1.00 0.00 C ATOM 177 OE1 GLN A 12 1.139 -7.573 4.536 1.00 0.00 O ATOM 178 NE2 GLN A 12 1.613 -6.445 6.377 1.00 0.00 N ATOM 179 H GLN A 12 1.796 -4.236 1.093 1.00 0.00 H ATOM 180 HA GLN A 12 0.923 -6.845 2.152 1.00 0.00 H ATOM 181 1HB GLN A 12 0.188 -3.969 2.893 1.00 0.00 H ATOM 182 2HB GLN A 12 -0.692 -5.320 3.555 1.00 0.00 H ATOM 183 1HG GLN A 12 2.344 -4.970 3.922 1.00 0.00 H ATOM 184 2HG GLN A 12 1.124 -4.324 5.010 1.00 0.00 H ATOM 185 1HE2 GLN A 12 1.789 -5.518 6.777 1.00 0.00 H ATOM 186 2HE2 GLN A 12 1.648 -7.343 6.871 1.00 0.00 H HETATM 187 N AIB A 13 -0.571 -5.816 -0.407 1.00 0.00 N HETATM 188 CA AIB A 13 -1.523 -6.429 -1.396 1.00 0.00 C HETATM 189 C AIB A 13 -1.289 -8.006 -1.519 1.00 0.00 C HETATM 190 O1 AIB A 13 -2.267 -8.745 -1.358 1.00 0.00 O HETATM 191 CB1 AIB A 13 -1.264 -5.720 -2.755 1.00 0.00 C HETATM 192 CB2 AIB A 13 -3.015 -6.070 -1.086 1.00 0.00 C HETATM 193 1HB1 AIB A 13 -0.208 -5.739 -3.074 1.00 0.00 H HETATM 194 2HB1 AIB A 13 -1.847 -6.173 -3.581 1.00 0.00 H HETATM 195 3HB1 AIB A 13 -1.536 -4.645 -2.729 1.00 0.00 H HETATM 196 1HB2 AIB A 13 -3.168 -4.986 -0.925 1.00 0.00 H HETATM 197 2HB2 AIB A 13 -3.700 -6.380 -1.900 1.00 0.00 H HETATM 198 3HB2 AIB A 13 -3.390 -6.578 -0.182 1.00 0.00 H HETATM 199 H AIB A 13 0.341 -5.459 -0.747 1.00 0.00 H HETATM 200 N HPR A 14 -0.068 -8.599 -1.771 1.00 0.00 N HETATM 201 CA HPR A 14 0.113 -10.070 -1.947 1.00 0.00 C HETATM 202 C HPR A 14 -0.050 -10.967 -0.682 1.00 0.00 C HETATM 203 O HPR A 14 -0.690 -12.015 -0.805 1.00 0.00 O HETATM 204 CB HPR A 14 1.523 -10.178 -2.562 1.00 0.00 C HETATM 205 CG HPR A 14 2.267 -8.960 -2.017 1.00 0.00 C HETATM 206 CD HPR A 14 1.198 -7.872 -2.006 1.00 0.00 C HETATM 207 OD HPR A 14 3.369 -8.601 -2.840 1.00 0.00 O HETATM 208 HA HPR A 14 -0.611 -10.431 -2.704 1.00 0.00 H HETATM 209 1HB HPR A 14 2.047 -11.124 -2.328 1.00 0.00 H HETATM 210 2HB HPR A 14 1.457 -10.130 -3.667 1.00 0.00 H HETATM 211 1HD HPR A 14 1.431 -7.142 -1.224 1.00 0.00 H HETATM 212 2HD HPR A 14 1.166 -7.321 -2.960 1.00 0.00 H HETATM 213 HOD HPR A 14 2.997 -8.375 -3.695 1.00 0.00 H HETATM 214 HG HPR A 14 2.603 -9.156 -0.977 1.00 0.00 H HETATM 215 N AIB A 15 0.529 -10.601 0.495 1.00 0.00 N HETATM 216 CA AIB A 15 0.462 -11.410 1.757 1.00 0.00 C HETATM 217 C AIB A 15 -1.030 -11.753 2.209 1.00 0.00 C HETATM 218 O1 AIB A 15 -1.303 -12.941 2.418 1.00 0.00 O HETATM 219 CB1 AIB A 15 1.218 -10.617 2.858 1.00 0.00 C HETATM 220 CB2 AIB A 15 1.327 -12.695 1.549 1.00 0.00 C HETATM 221 1HB1 AIB A 15 0.845 -9.590 2.990 1.00 0.00 H HETATM 222 2HB1 AIB A 15 1.144 -11.111 3.846 1.00 0.00 H HETATM 223 3HB1 AIB A 15 2.297 -10.506 2.644 1.00 0.00 H HETATM 224 1HB2 AIB A 15 2.355 -12.465 1.205 1.00 0.00 H HETATM 225 2HB2 AIB A 15 1.427 -13.287 2.478 1.00 0.00 H HETATM 226 3HB2 AIB A 15 0.889 -13.376 0.795 1.00 0.00 H HETATM 227 H AIB A 15 0.907 -9.644 0.512 1.00 0.00 H ATOM 228 N PRO A 16 -2.044 -10.830 2.316 1.00 0.00 N ATOM 229 CA PRO A 16 -3.475 -11.207 2.484 1.00 0.00 C ATOM 230 C PRO A 16 -4.219 -11.682 1.192 1.00 0.00 C ATOM 231 O PRO A 16 -4.996 -12.636 1.294 1.00 0.00 O ATOM 232 CB PRO A 16 -4.086 -9.929 3.091 1.00 0.00 C ATOM 233 CG PRO A 16 -3.260 -8.782 2.509 1.00 0.00 C ATOM 234 CD PRO A 16 -1.860 -9.367 2.286 1.00 0.00 C ATOM 235 HA PRO A 16 -3.559 -12.012 3.243 1.00 0.00 H ATOM 236 1HB PRO A 16 -5.167 -9.811 2.884 1.00 0.00 H ATOM 237 2HB PRO A 16 -3.979 -9.941 4.193 1.00 0.00 H ATOM 238 1HG PRO A 16 -3.692 -8.460 1.542 1.00 0.00 H ATOM 239 2HG PRO A 16 -3.249 -7.894 3.169 1.00 0.00 H ATOM 240 1HD PRO A 16 -1.451 -9.024 1.321 1.00 0.00 H ATOM 241 2HD PRO A 16 -1.171 -9.028 3.077 1.00 0.00 H HETATM 242 N PHL A 17 -4.032 -11.024 0.020 1.00 0.00 N HETATM 243 CA PHL A 17 -4.834 -11.304 -1.202 1.00 0.00 C HETATM 244 C PHL A 17 -3.897 -11.870 -2.292 1.00 0.00 C HETATM 245 O PHL A 17 -4.641 -12.351 -3.407 1.00 0.00 O HETATM 246 CB PHL A 17 -5.582 -10.026 -1.689 1.00 0.00 C HETATM 247 CG PHL A 17 -6.618 -9.431 -0.712 1.00 0.00 C HETATM 248 CD1 PHL A 17 -7.805 -10.122 -0.437 1.00 0.00 C HETATM 249 CD2 PHL A 17 -6.380 -8.205 -0.084 1.00 0.00 C HETATM 250 CE1 PHL A 17 -8.732 -9.595 0.459 1.00 0.00 C HETATM 251 CE2 PHL A 17 -7.310 -7.678 0.808 1.00 0.00 C HETATM 252 CZ PHL A 17 -8.486 -8.374 1.081 1.00 0.00 C HETATM 253 H1 PHL A 17 -3.295 -12.710 -1.893 1.00 0.00 H HETATM 254 H2 PHL A 17 -3.169 -11.110 -2.636 1.00 0.00 H HETATM 255 HO PHL A 17 -5.062 -11.581 -3.799 1.00 0.00 H HETATM 256 HA PHL A 17 -5.600 -12.080 -1.002 1.00 0.00 H HETATM 257 1HB PHL A 17 -4.844 -9.253 -1.985 1.00 0.00 H HETATM 258 2HB PHL A 17 -6.110 -10.260 -2.632 1.00 0.00 H HETATM 259 HD1 PHL A 17 -8.009 -11.072 -0.909 1.00 0.00 H HETATM 260 HD2 PHL A 17 -5.473 -7.653 -0.284 1.00 0.00 H HETATM 261 HE1 PHL A 17 -9.643 -10.137 0.674 1.00 0.00 H HETATM 262 HE2 PHL A 17 -7.122 -6.728 1.289 1.00 0.00 H HETATM 263 HZ PHL A 17 -9.207 -7.967 1.774 1.00 0.00 H HETATM 264 H PHL A 17 -3.335 -10.266 0.037 1.00 0.00 H TER 265 PHL A 17 HETATM 266 C ACE A 1 -2.205 10.244 1.225 1.00 0.00 C HETATM 267 O ACE A 1 -2.184 9.220 1.910 1.00 0.00 O HETATM 268 CH3 ACE A 1 -1.277 11.410 1.534 1.00 0.00 C HETATM 269 H1 ACE A 1 -1.835 12.354 1.669 1.00 0.00 H HETATM 270 H2 ACE A 1 -0.691 11.219 2.449 1.00 0.00 H HETATM 271 H3 ACE A 1 -0.553 11.555 0.709 1.00 0.00 H ENDMDL MODEL 14 ATOM 1 N TRP A 2 -3.159 10.574 -0.291 1.00 0.00 N ATOM 2 CA TRP A 2 -3.561 9.162 -0.532 1.00 0.00 C ATOM 3 C TRP A 2 -2.523 8.276 -1.306 1.00 0.00 C ATOM 4 O TRP A 2 -2.587 7.049 -1.194 1.00 0.00 O ATOM 5 CB TRP A 2 -4.968 9.132 -1.196 1.00 0.00 C ATOM 6 CG TRP A 2 -5.722 7.816 -0.958 1.00 0.00 C ATOM 7 CD1 TRP A 2 -5.777 6.710 -1.833 1.00 0.00 C ATOM 8 CD2 TRP A 2 -6.408 7.425 0.179 1.00 0.00 C ATOM 9 NE1 TRP A 2 -6.478 5.631 -1.265 1.00 0.00 N ATOM 10 CE2 TRP A 2 -6.861 6.097 -0.017 1.00 0.00 C ATOM 11 CE3 TRP A 2 -6.668 8.104 1.398 1.00 0.00 C ATOM 12 CZ2 TRP A 2 -7.590 5.440 1.004 1.00 0.00 C ATOM 13 CZ3 TRP A 2 -7.392 7.435 2.388 1.00 0.00 C ATOM 14 CH2 TRP A 2 -7.847 6.126 2.193 1.00 0.00 C ATOM 15 H TRP A 2 -3.546 11.335 -0.850 1.00 0.00 H ATOM 16 HA TRP A 2 -3.674 8.723 0.473 1.00 0.00 H ATOM 17 1HB TRP A 2 -5.604 9.951 -0.803 1.00 0.00 H ATOM 18 2HB TRP A 2 -4.887 9.340 -2.281 1.00 0.00 H ATOM 19 HD1 TRP A 2 -5.304 6.676 -2.804 1.00 0.00 H ATOM 20 HE1 TRP A 2 -6.643 4.701 -1.667 1.00 0.00 H ATOM 21 HE3 TRP A 2 -6.322 9.115 1.562 1.00 0.00 H ATOM 22 HZ2 TRP A 2 -7.944 4.429 0.867 1.00 0.00 H ATOM 23 HZ3 TRP A 2 -7.606 7.940 3.320 1.00 0.00 H ATOM 24 HH2 TRP A 2 -8.410 5.637 2.975 1.00 0.00 H ATOM 25 N ILE A 3 -1.547 8.866 -2.034 1.00 0.00 N ATOM 26 CA ILE A 3 -0.334 8.143 -2.519 1.00 0.00 C ATOM 27 C ILE A 3 0.555 7.464 -1.423 1.00 0.00 C ATOM 28 O ILE A 3 1.096 6.387 -1.672 1.00 0.00 O ATOM 29 CB ILE A 3 0.513 8.985 -3.540 1.00 0.00 C ATOM 30 CG1 ILE A 3 1.091 10.315 -2.963 1.00 0.00 C ATOM 31 CG2 ILE A 3 -0.257 9.223 -4.865 1.00 0.00 C ATOM 32 CD1 ILE A 3 2.221 10.958 -3.785 1.00 0.00 C ATOM 33 H ILE A 3 -1.609 9.889 -2.073 1.00 0.00 H ATOM 34 HA ILE A 3 -0.741 7.292 -3.079 1.00 0.00 H ATOM 35 HB ILE A 3 1.379 8.354 -3.818 1.00 0.00 H ATOM 36 1HG1 ILE A 3 0.279 11.053 -2.815 1.00 0.00 H ATOM 37 2HG1 ILE A 3 1.495 10.134 -1.949 1.00 0.00 H ATOM 38 1HG2 ILE A 3 -1.135 9.882 -4.722 1.00 0.00 H ATOM 39 2HG2 ILE A 3 0.381 9.687 -5.637 1.00 0.00 H ATOM 40 3HG2 ILE A 3 -0.629 8.273 -5.295 1.00 0.00 H ATOM 41 1HD1 ILE A 3 1.874 11.281 -4.784 1.00 0.00 H ATOM 42 2HD1 ILE A 3 2.620 11.854 -3.276 1.00 0.00 H ATOM 43 3HD1 ILE A 3 3.066 10.261 -3.932 1.00 0.00 H ATOM 44 N GLN A 4 0.675 8.065 -0.225 1.00 0.00 N ATOM 45 CA GLN A 4 1.336 7.443 0.954 1.00 0.00 C ATOM 46 C GLN A 4 0.540 6.277 1.609 1.00 0.00 C ATOM 47 O GLN A 4 1.150 5.248 1.903 1.00 0.00 O ATOM 48 CB GLN A 4 1.710 8.547 1.979 1.00 0.00 C ATOM 49 CG GLN A 4 2.965 9.347 1.563 1.00 0.00 C ATOM 50 CD GLN A 4 3.136 10.680 2.307 1.00 0.00 C ATOM 51 OE1 GLN A 4 2.306 11.581 2.202 1.00 0.00 O ATOM 52 NE2 GLN A 4 4.221 10.852 3.046 1.00 0.00 N ATOM 53 H GLN A 4 0.139 8.931 -0.146 1.00 0.00 H ATOM 54 HA GLN A 4 2.280 6.996 0.598 1.00 0.00 H ATOM 55 1HB GLN A 4 0.844 9.218 2.139 1.00 0.00 H ATOM 56 2HB GLN A 4 1.905 8.103 2.975 1.00 0.00 H ATOM 57 1HG GLN A 4 3.852 8.690 1.675 1.00 0.00 H ATOM 58 2HG GLN A 4 2.921 9.571 0.481 1.00 0.00 H ATOM 59 1HE2 GLN A 4 4.895 10.080 3.062 1.00 0.00 H ATOM 60 2HE2 GLN A 4 4.329 11.772 3.488 1.00 0.00 H HETATM 61 N DIV A 5 -0.796 6.412 1.807 1.00 0.00 N HETATM 62 CA DIV A 5 -1.718 5.299 2.231 1.00 0.00 C HETATM 63 CB1 DIV A 5 -1.475 5.031 3.767 1.00 0.00 C HETATM 64 CG1 DIV A 5 -2.437 4.091 4.523 1.00 0.00 C HETATM 65 CB2 DIV A 5 -3.154 5.876 2.054 1.00 0.00 C HETATM 66 C DIV A 5 -1.561 4.011 1.318 1.00 0.00 C HETATM 67 O DIV A 5 -1.299 2.917 1.828 1.00 0.00 O HETATM 68 1HB1 DIV A 5 -0.453 4.632 3.908 1.00 0.00 H HETATM 69 2HB1 DIV A 5 -1.466 5.990 4.321 1.00 0.00 H HETATM 70 1HG1 DIV A 5 -2.536 3.104 4.038 1.00 0.00 H HETATM 71 2HG1 DIV A 5 -2.082 3.907 5.552 1.00 0.00 H HETATM 72 3HG1 DIV A 5 -3.451 4.519 4.608 1.00 0.00 H HETATM 73 1HB2 DIV A 5 -3.373 6.167 1.012 1.00 0.00 H HETATM 74 2HB2 DIV A 5 -3.931 5.136 2.323 1.00 0.00 H HETATM 75 3HB2 DIV A 5 -3.339 6.772 2.678 1.00 0.00 H HETATM 76 H DIV A 5 -1.158 7.320 1.497 1.00 0.00 H ATOM 77 N ILE A 6 -1.659 4.139 -0.033 1.00 0.00 N ATOM 78 CA ILE A 6 -1.494 3.011 -0.984 1.00 0.00 C ATOM 79 C ILE A 6 -0.040 2.457 -1.108 1.00 0.00 C ATOM 80 O ILE A 6 0.099 1.238 -1.083 1.00 0.00 O ATOM 81 CB ILE A 6 -2.228 3.267 -2.349 1.00 0.00 C ATOM 82 CG1 ILE A 6 -2.474 1.943 -3.134 1.00 0.00 C ATOM 83 CG2 ILE A 6 -1.550 4.337 -3.240 1.00 0.00 C ATOM 84 CD1 ILE A 6 -3.475 2.034 -4.299 1.00 0.00 C ATOM 85 H ILE A 6 -1.890 5.066 -0.388 1.00 0.00 H ATOM 86 HA ILE A 6 -2.079 2.211 -0.509 1.00 0.00 H ATOM 87 HB ILE A 6 -3.232 3.661 -2.095 1.00 0.00 H ATOM 88 1HG1 ILE A 6 -1.514 1.542 -3.512 1.00 0.00 H ATOM 89 2HG1 ILE A 6 -2.850 1.169 -2.438 1.00 0.00 H ATOM 90 1HG2 ILE A 6 -0.595 3.983 -3.672 1.00 0.00 H ATOM 91 2HG2 ILE A 6 -2.199 4.648 -4.080 1.00 0.00 H ATOM 92 3HG2 ILE A 6 -1.325 5.244 -2.661 1.00 0.00 H ATOM 93 1HD1 ILE A 6 -3.142 2.743 -5.079 1.00 0.00 H ATOM 94 2HD1 ILE A 6 -3.601 1.053 -4.790 1.00 0.00 H ATOM 95 3HD1 ILE A 6 -4.472 2.362 -3.951 1.00 0.00 H ATOM 96 N THR A 7 1.015 3.294 -1.219 1.00 0.00 N ATOM 97 CA THR A 7 2.435 2.818 -1.309 1.00 0.00 C ATOM 98 C THR A 7 2.926 2.007 -0.059 1.00 0.00 C ATOM 99 O THR A 7 3.538 0.950 -0.229 1.00 0.00 O ATOM 100 CB THR A 7 3.373 4.007 -1.686 1.00 0.00 C ATOM 101 OG1 THR A 7 2.939 4.596 -2.910 1.00 0.00 O ATOM 102 CG2 THR A 7 4.855 3.638 -1.892 1.00 0.00 C ATOM 103 H THR A 7 0.776 4.290 -1.205 1.00 0.00 H ATOM 104 HA THR A 7 2.475 2.115 -2.164 1.00 0.00 H ATOM 105 HB THR A 7 3.319 4.779 -0.892 1.00 0.00 H ATOM 106 HG1 THR A 7 3.486 5.375 -3.035 1.00 0.00 H ATOM 107 1HG2 THR A 7 5.448 4.515 -2.214 1.00 0.00 H ATOM 108 2HG2 THR A 7 5.321 3.264 -0.961 1.00 0.00 H ATOM 109 3HG2 THR A 7 4.978 2.853 -2.661 1.00 0.00 H HETATM 110 N AIB A 8 2.620 2.477 1.170 1.00 0.00 N HETATM 111 CA AIB A 8 2.732 1.684 2.441 1.00 0.00 C HETATM 112 C AIB A 8 1.921 0.326 2.446 1.00 0.00 C HETATM 113 O1 AIB A 8 2.371 -0.671 3.020 1.00 0.00 O HETATM 114 CB1 AIB A 8 2.128 2.585 3.551 1.00 0.00 C HETATM 115 CB2 AIB A 8 4.234 1.479 2.795 1.00 0.00 C HETATM 116 1HB1 AIB A 8 1.065 2.829 3.363 1.00 0.00 H HETATM 117 2HB1 AIB A 8 2.164 2.102 4.545 1.00 0.00 H HETATM 118 3HB1 AIB A 8 2.660 3.551 3.651 1.00 0.00 H HETATM 119 1HB2 AIB A 8 4.798 2.430 2.809 1.00 0.00 H HETATM 120 2HB2 AIB A 8 4.369 1.017 3.791 1.00 0.00 H HETATM 121 3HB2 AIB A 8 4.746 0.814 2.074 1.00 0.00 H HETATM 122 H AIB A 8 1.964 3.258 1.104 1.00 0.00 H ATOM 123 N LEU A 9 0.723 0.282 1.812 1.00 0.00 N ATOM 124 CA LEU A 9 -0.029 -0.965 1.554 1.00 0.00 C ATOM 125 C LEU A 9 0.462 -1.814 0.340 1.00 0.00 C ATOM 126 O LEU A 9 0.059 -2.975 0.279 1.00 0.00 O ATOM 127 CB LEU A 9 -1.536 -0.611 1.374 1.00 0.00 C ATOM 128 CG LEU A 9 -2.360 -0.328 2.662 1.00 0.00 C ATOM 129 CD1 LEU A 9 -3.717 0.306 2.297 1.00 0.00 C ATOM 130 CD2 LEU A 9 -2.593 -1.592 3.517 1.00 0.00 C ATOM 131 H LEU A 9 0.482 1.092 1.236 1.00 0.00 H ATOM 132 HA LEU A 9 0.070 -1.607 2.442 1.00 0.00 H ATOM 133 1HB LEU A 9 -1.616 0.253 0.686 1.00 0.00 H ATOM 134 2HB LEU A 9 -2.046 -1.418 0.817 1.00 0.00 H ATOM 135 HG LEU A 9 -1.812 0.406 3.280 1.00 0.00 H ATOM 136 1HD1 LEU A 9 -4.336 -0.368 1.674 1.00 0.00 H ATOM 137 2HD1 LEU A 9 -4.307 0.555 3.198 1.00 0.00 H ATOM 138 3HD1 LEU A 9 -3.588 1.246 1.731 1.00 0.00 H ATOM 139 1HD2 LEU A 9 -1.647 -2.034 3.879 1.00 0.00 H ATOM 140 2HD2 LEU A 9 -3.195 -1.368 4.417 1.00 0.00 H ATOM 141 3HD2 LEU A 9 -3.129 -2.381 2.958 1.00 0.00 H HETATM 142 N AIB A 10 1.283 -1.298 -0.617 1.00 0.00 N HETATM 143 CA AIB A 10 1.775 -2.057 -1.816 1.00 0.00 C HETATM 144 C AIB A 10 2.444 -3.471 -1.495 1.00 0.00 C HETATM 145 O1 AIB A 10 1.996 -4.467 -2.078 1.00 0.00 O HETATM 146 CB1 AIB A 10 2.782 -1.161 -2.585 1.00 0.00 C HETATM 147 CB2 AIB A 10 0.561 -2.180 -2.782 1.00 0.00 C HETATM 148 1HB1 AIB A 10 3.684 -0.921 -1.999 1.00 0.00 H HETATM 149 2HB1 AIB A 10 3.141 -1.646 -3.515 1.00 0.00 H HETATM 150 3HB1 AIB A 10 2.343 -0.189 -2.886 1.00 0.00 H HETATM 151 1HB2 AIB A 10 0.101 -1.200 -3.012 1.00 0.00 H HETATM 152 2HB2 AIB A 10 0.840 -2.638 -3.748 1.00 0.00 H HETATM 153 3HB2 AIB A 10 -0.235 -2.813 -2.352 1.00 0.00 H HETATM 154 H AIB A 10 1.626 -0.345 -0.401 1.00 0.00 H HETATM 155 N HPR A 11 3.451 -3.662 -0.572 1.00 0.00 N HETATM 156 CA HPR A 11 3.920 -5.017 -0.149 1.00 0.00 C HETATM 157 C HPR A 11 2.901 -5.905 0.643 1.00 0.00 C HETATM 158 O HPR A 11 3.069 -7.126 0.679 1.00 0.00 O HETATM 159 CB HPR A 11 5.168 -4.679 0.687 1.00 0.00 C HETATM 160 CG HPR A 11 4.850 -3.334 1.344 1.00 0.00 C HETATM 161 CD HPR A 11 3.981 -2.607 0.315 1.00 0.00 C HETATM 162 OD HPR A 11 6.027 -2.600 1.649 1.00 0.00 O HETATM 163 HA HPR A 11 4.244 -5.588 -1.040 1.00 0.00 H HETATM 164 1HB HPR A 11 5.416 -5.455 1.436 1.00 0.00 H HETATM 165 2HB HPR A 11 6.056 -4.582 0.031 1.00 0.00 H HETATM 166 1HD HPR A 11 3.179 -2.069 0.840 1.00 0.00 H HETATM 167 2HD HPR A 11 4.531 -1.859 -0.269 1.00 0.00 H HETATM 168 HOD HPR A 11 6.503 -3.114 2.306 1.00 0.00 H HETATM 169 HG HPR A 11 4.270 -3.506 2.271 1.00 0.00 H ATOM 170 N GLN A 12 1.859 -5.294 1.247 1.00 0.00 N ATOM 171 CA GLN A 12 0.710 -5.973 1.858 1.00 0.00 C ATOM 172 C GLN A 12 -0.589 -6.012 0.976 1.00 0.00 C ATOM 173 O GLN A 12 -1.651 -6.278 1.538 1.00 0.00 O ATOM 174 CB GLN A 12 0.468 -5.344 3.264 1.00 0.00 C ATOM 175 CG GLN A 12 1.594 -5.592 4.303 1.00 0.00 C ATOM 176 CD GLN A 12 1.362 -4.910 5.663 1.00 0.00 C ATOM 177 OE1 GLN A 12 0.909 -3.767 5.753 1.00 0.00 O ATOM 178 NE2 GLN A 12 1.702 -5.579 6.751 1.00 0.00 N ATOM 179 H GLN A 12 1.777 -4.298 1.097 1.00 0.00 H ATOM 180 HA GLN A 12 1.007 -7.004 2.013 1.00 0.00 H ATOM 181 1HB GLN A 12 0.286 -4.255 3.154 1.00 0.00 H ATOM 182 2HB GLN A 12 -0.469 -5.746 3.698 1.00 0.00 H ATOM 183 1HG GLN A 12 1.724 -6.685 4.424 1.00 0.00 H ATOM 184 2HG GLN A 12 2.559 -5.228 3.905 1.00 0.00 H ATOM 185 1HE2 GLN A 12 2.113 -6.507 6.606 1.00 0.00 H ATOM 186 2HE2 GLN A 12 1.553 -5.104 7.648 1.00 0.00 H HETATM 187 N AIB A 13 -0.545 -5.825 -0.375 1.00 0.00 N HETATM 188 CA AIB A 13 -1.533 -6.403 -1.353 1.00 0.00 C HETATM 189 C AIB A 13 -1.321 -7.978 -1.511 1.00 0.00 C HETATM 190 O1 AIB A 13 -2.303 -8.707 -1.324 1.00 0.00 O HETATM 191 CB1 AIB A 13 -1.301 -5.687 -2.715 1.00 0.00 C HETATM 192 CB2 AIB A 13 -3.017 -6.028 -1.012 1.00 0.00 C HETATM 193 1HB1 AIB A 13 -0.251 -5.699 -3.049 1.00 0.00 H HETATM 194 2HB1 AIB A 13 -1.892 -6.147 -3.531 1.00 0.00 H HETATM 195 3HB1 AIB A 13 -1.584 -4.619 -2.686 1.00 0.00 H HETATM 196 1HB2 AIB A 13 -3.147 -4.945 -0.823 1.00 0.00 H HETATM 197 2HB2 AIB A 13 -3.718 -6.302 -1.824 1.00 0.00 H HETATM 198 3HB2 AIB A 13 -3.392 -6.552 -0.117 1.00 0.00 H HETATM 199 H AIB A 13 0.375 -5.507 -0.729 1.00 0.00 H HETATM 200 N HPR A 14 -0.117 -8.582 -1.822 1.00 0.00 N HETATM 201 CA HPR A 14 0.045 -10.056 -2.006 1.00 0.00 C HETATM 202 C HPR A 14 -0.111 -10.944 -0.734 1.00 0.00 C HETATM 203 O HPR A 14 -0.824 -11.948 -0.809 1.00 0.00 O HETATM 204 CB HPR A 14 1.444 -10.178 -2.645 1.00 0.00 C HETATM 205 CG HPR A 14 2.210 -8.964 -2.118 1.00 0.00 C HETATM 206 CD HPR A 14 1.151 -7.865 -2.073 1.00 0.00 C HETATM 207 OD HPR A 14 3.293 -8.604 -2.964 1.00 0.00 O HETATM 208 HA HPR A 14 -0.699 -10.411 -2.747 1.00 0.00 H HETATM 209 1HB HPR A 14 1.961 -11.129 -2.409 1.00 0.00 H HETATM 210 2HB HPR A 14 1.365 -10.139 -3.748 1.00 0.00 H HETATM 211 1HD HPR A 14 1.406 -7.148 -1.285 1.00 0.00 H HETATM 212 2HD HPR A 14 1.104 -7.304 -3.020 1.00 0.00 H HETATM 213 HOD HPR A 14 2.897 -8.311 -3.788 1.00 0.00 H HETATM 214 HG HPR A 14 2.572 -9.169 -1.090 1.00 0.00 H HETATM 215 N AIB A 15 0.551 -10.603 0.405 1.00 0.00 N HETATM 216 CA AIB A 15 0.491 -11.369 1.692 1.00 0.00 C HETATM 217 C AIB A 15 -0.993 -11.697 2.178 1.00 0.00 C HETATM 218 O1 AIB A 15 -1.272 -12.882 2.399 1.00 0.00 O HETATM 219 CB1 AIB A 15 1.274 -10.540 2.750 1.00 0.00 C HETATM 220 CB2 AIB A 15 1.341 -12.665 1.500 1.00 0.00 C HETATM 221 1HB1 AIB A 15 0.911 -9.504 2.860 1.00 0.00 H HETATM 222 2HB1 AIB A 15 1.223 -11.002 3.753 1.00 0.00 H HETATM 223 3HB1 AIB A 15 2.348 -10.441 2.506 1.00 0.00 H HETATM 224 1HB2 AIB A 15 2.364 -12.455 1.136 1.00 0.00 H HETATM 225 2HB2 AIB A 15 1.448 -13.234 2.444 1.00 0.00 H HETATM 226 3HB2 AIB A 15 0.881 -13.358 0.771 1.00 0.00 H HETATM 227 H AIB A 15 1.077 -9.727 0.331 1.00 0.00 H ATOM 228 N PRO A 16 -2.000 -10.767 2.292 1.00 0.00 N ATOM 229 CA PRO A 16 -3.426 -11.139 2.502 1.00 0.00 C ATOM 230 C PRO A 16 -4.213 -11.636 1.243 1.00 0.00 C ATOM 231 O PRO A 16 -5.032 -12.545 1.394 1.00 0.00 O ATOM 232 CB PRO A 16 -4.017 -9.849 3.101 1.00 0.00 C ATOM 233 CG PRO A 16 -3.198 -8.713 2.495 1.00 0.00 C ATOM 234 CD PRO A 16 -1.805 -9.306 2.259 1.00 0.00 C ATOM 235 HA PRO A 16 -3.494 -11.930 3.274 1.00 0.00 H ATOM 236 1HB PRO A 16 -5.102 -9.726 2.915 1.00 0.00 H ATOM 237 2HB PRO A 16 -3.890 -9.848 4.202 1.00 0.00 H ATOM 238 1HG PRO A 16 -3.641 -8.397 1.531 1.00 0.00 H ATOM 239 2HG PRO A 16 -3.175 -7.819 3.146 1.00 0.00 H ATOM 240 1HD PRO A 16 -1.389 -8.962 1.297 1.00 0.00 H ATOM 241 2HD PRO A 16 -1.110 -8.975 3.050 1.00 0.00 H HETATM 242 N PHL A 17 -4.016 -11.033 0.046 1.00 0.00 N HETATM 243 CA PHL A 17 -4.876 -11.294 -1.143 1.00 0.00 C HETATM 244 C PHL A 17 -3.999 -11.681 -2.354 1.00 0.00 C HETATM 245 O PHL A 17 -3.307 -12.903 -2.127 1.00 0.00 O HETATM 246 CB PHL A 17 -5.756 -10.048 -1.470 1.00 0.00 C HETATM 247 CG PHL A 17 -6.771 -9.635 -0.381 1.00 0.00 C HETATM 248 CD1 PHL A 17 -7.859 -10.464 -0.081 1.00 0.00 C HETATM 249 CD2 PHL A 17 -6.589 -8.455 0.351 1.00 0.00 C HETATM 250 CE1 PHL A 17 -8.739 -10.129 0.945 1.00 0.00 C HETATM 251 CE2 PHL A 17 -7.474 -8.120 1.374 1.00 0.00 C HETATM 252 CZ PHL A 17 -8.545 -8.956 1.672 1.00 0.00 C HETATM 253 H1 PHL A 17 -3.275 -10.884 -2.605 1.00 0.00 H HETATM 254 H2 PHL A 17 -4.628 -11.807 -3.255 1.00 0.00 H HETATM 255 HO PHL A 17 -3.979 -13.586 -2.070 1.00 0.00 H HETATM 256 HA PHL A 17 -5.559 -12.149 -0.963 1.00 0.00 H HETATM 257 1HB PHL A 17 -5.105 -9.193 -1.735 1.00 0.00 H HETATM 258 2HB PHL A 17 -6.324 -10.247 -2.397 1.00 0.00 H HETATM 259 HD1 PHL A 17 -8.013 -11.383 -0.629 1.00 0.00 H HETATM 260 HD2 PHL A 17 -5.756 -7.799 0.141 1.00 0.00 H HETATM 261 HE1 PHL A 17 -9.565 -10.782 1.181 1.00 0.00 H HETATM 262 HE2 PHL A 17 -7.327 -7.212 1.942 1.00 0.00 H HETATM 263 HZ PHL A 17 -9.227 -8.701 2.469 1.00 0.00 H HETATM 264 H PHL A 17 -3.312 -10.282 0.040 1.00 0.00 H TER 265 PHL A 17 HETATM 266 C ACE A 1 -2.157 10.906 0.539 1.00 0.00 C HETATM 267 O ACE A 1 -1.626 10.123 1.332 1.00 0.00 O HETATM 268 CH3 ACE A 1 -1.632 12.325 0.377 1.00 0.00 C HETATM 269 H1 ACE A 1 -1.231 12.478 -0.643 1.00 0.00 H HETATM 270 H2 ACE A 1 -2.427 13.072 0.546 1.00 0.00 H HETATM 271 H3 ACE A 1 -0.808 12.527 1.084 1.00 0.00 H ENDMDL MODEL 15 ATOM 1 N TRP A 2 -2.955 10.405 0.272 1.00 0.00 N ATOM 2 CA TRP A 2 -3.581 9.284 -0.479 1.00 0.00 C ATOM 3 C TRP A 2 -2.560 8.395 -1.266 1.00 0.00 C ATOM 4 O TRP A 2 -2.712 7.170 -1.286 1.00 0.00 O ATOM 5 CB TRP A 2 -4.697 9.793 -1.437 1.00 0.00 C ATOM 6 CG TRP A 2 -5.876 10.532 -0.785 1.00 0.00 C ATOM 7 CD1 TRP A 2 -6.211 11.887 -0.996 1.00 0.00 C ATOM 8 CD2 TRP A 2 -6.819 10.054 0.111 1.00 0.00 C ATOM 9 NE1 TRP A 2 -7.343 12.271 -0.252 1.00 0.00 N ATOM 10 CE2 TRP A 2 -7.697 11.121 0.434 1.00 0.00 C ATOM 11 CE3 TRP A 2 -6.999 8.775 0.697 1.00 0.00 C ATOM 12 CZ2 TRP A 2 -8.755 10.917 1.354 1.00 0.00 C ATOM 13 CZ3 TRP A 2 -8.051 8.597 1.598 1.00 0.00 C ATOM 14 CH2 TRP A 2 -8.913 9.652 1.925 1.00 0.00 C ATOM 15 H TRP A 2 -2.983 11.356 -0.096 1.00 0.00 H ATOM 16 HA TRP A 2 -4.067 8.643 0.271 1.00 0.00 H ATOM 17 1HB TRP A 2 -4.245 10.436 -2.218 1.00 0.00 H ATOM 18 2HB TRP A 2 -5.116 8.935 -1.998 1.00 0.00 H ATOM 19 HD1 TRP A 2 -5.669 12.556 -1.648 1.00 0.00 H ATOM 20 HE1 TRP A 2 -7.813 13.182 -0.243 1.00 0.00 H ATOM 21 HE3 TRP A 2 -6.343 7.952 0.456 1.00 0.00 H ATOM 22 HZ2 TRP A 2 -9.428 11.721 1.613 1.00 0.00 H ATOM 23 HZ3 TRP A 2 -8.201 7.629 2.052 1.00 0.00 H ATOM 24 HH2 TRP A 2 -9.713 9.485 2.630 1.00 0.00 H ATOM 25 N ILE A 3 -1.519 9.003 -1.879 1.00 0.00 N ATOM 26 CA ILE A 3 -0.361 8.266 -2.469 1.00 0.00 C ATOM 27 C ILE A 3 0.482 7.487 -1.401 1.00 0.00 C ATOM 28 O ILE A 3 0.881 6.355 -1.674 1.00 0.00 O ATOM 29 CB ILE A 3 0.471 9.177 -3.452 1.00 0.00 C ATOM 30 CG1 ILE A 3 -0.392 9.728 -4.634 1.00 0.00 C ATOM 31 CG2 ILE A 3 1.726 8.459 -4.027 1.00 0.00 C ATOM 32 CD1 ILE A 3 0.244 10.834 -5.496 1.00 0.00 C ATOM 33 H ILE A 3 -1.514 10.026 -1.783 1.00 0.00 H ATOM 34 HA ILE A 3 -0.812 7.479 -3.081 1.00 0.00 H ATOM 35 HB ILE A 3 0.841 10.042 -2.867 1.00 0.00 H ATOM 36 1HG1 ILE A 3 -0.708 8.895 -5.290 1.00 0.00 H ATOM 37 2HG1 ILE A 3 -1.336 10.151 -4.243 1.00 0.00 H ATOM 38 1HG2 ILE A 3 1.456 7.553 -4.601 1.00 0.00 H ATOM 39 2HG2 ILE A 3 2.318 9.107 -4.695 1.00 0.00 H ATOM 40 3HG2 ILE A 3 2.420 8.142 -3.227 1.00 0.00 H ATOM 41 1HD1 ILE A 3 1.119 10.469 -6.063 1.00 0.00 H ATOM 42 2HD1 ILE A 3 -0.478 11.215 -6.240 1.00 0.00 H ATOM 43 3HD1 ILE A 3 0.572 11.694 -4.884 1.00 0.00 H ATOM 44 N GLN A 4 0.724 8.062 -0.210 1.00 0.00 N ATOM 45 CA GLN A 4 1.351 7.342 0.935 1.00 0.00 C ATOM 46 C GLN A 4 0.504 6.184 1.535 1.00 0.00 C ATOM 47 O GLN A 4 1.076 5.128 1.810 1.00 0.00 O ATOM 48 CB GLN A 4 1.793 8.314 2.059 1.00 0.00 C ATOM 49 CG GLN A 4 2.955 9.270 1.699 1.00 0.00 C ATOM 50 CD GLN A 4 2.505 10.650 1.181 1.00 0.00 C ATOM 51 OE1 GLN A 4 2.089 11.514 1.953 1.00 0.00 O ATOM 52 NE2 GLN A 4 2.571 10.889 -0.121 1.00 0.00 N ATOM 53 H GLN A 4 0.279 8.977 -0.112 1.00 0.00 H ATOM 54 HA GLN A 4 2.273 6.872 0.543 1.00 0.00 H ATOM 55 1HB GLN A 4 0.924 8.873 2.462 1.00 0.00 H ATOM 56 2HB GLN A 4 2.146 7.712 2.919 1.00 0.00 H ATOM 57 1HG GLN A 4 3.554 9.424 2.618 1.00 0.00 H ATOM 58 2HG GLN A 4 3.651 8.766 0.999 1.00 0.00 H ATOM 59 1HE2 GLN A 4 2.901 10.121 -0.712 1.00 0.00 H ATOM 60 2HE2 GLN A 4 2.212 11.797 -0.439 1.00 0.00 H HETATM 61 N DIV A 5 -0.829 6.359 1.715 1.00 0.00 N HETATM 62 CA DIV A 5 -1.794 5.271 2.091 1.00 0.00 C HETATM 63 CB1 DIV A 5 -1.598 4.965 3.625 1.00 0.00 C HETATM 64 CG1 DIV A 5 -2.608 4.035 4.334 1.00 0.00 C HETATM 65 CB2 DIV A 5 -3.212 5.884 1.908 1.00 0.00 C HETATM 66 C DIV A 5 -1.641 4.004 1.146 1.00 0.00 C HETATM 67 O DIV A 5 -1.410 2.896 1.639 1.00 0.00 O HETATM 68 1HB1 DIV A 5 -0.588 4.541 3.787 1.00 0.00 H HETATM 69 2HB1 DIV A 5 -1.587 5.914 4.197 1.00 0.00 H HETATM 70 1HG1 DIV A 5 -2.736 3.071 3.809 1.00 0.00 H HETATM 71 2HG1 DIV A 5 -2.278 3.805 5.363 1.00 0.00 H HETATM 72 3HG1 DIV A 5 -3.605 4.505 4.415 1.00 0.00 H HETATM 73 1HB2 DIV A 5 -3.413 6.202 0.871 1.00 0.00 H HETATM 74 2HB2 DIV A 5 -4.011 5.161 2.157 1.00 0.00 H HETATM 75 3HB2 DIV A 5 -3.379 6.771 2.549 1.00 0.00 H HETATM 76 H DIV A 5 -1.158 7.281 1.412 1.00 0.00 H ATOM 77 N ILE A 6 -1.693 4.170 -0.208 1.00 0.00 N ATOM 78 CA ILE A 6 -1.463 3.055 -1.169 1.00 0.00 C ATOM 79 C ILE A 6 0.001 2.506 -1.217 1.00 0.00 C ATOM 80 O ILE A 6 0.148 1.289 -1.185 1.00 0.00 O ATOM 81 CB ILE A 6 -2.146 3.284 -2.562 1.00 0.00 C ATOM 82 CG1 ILE A 6 -2.284 1.958 -3.373 1.00 0.00 C ATOM 83 CG2 ILE A 6 -1.498 4.400 -3.416 1.00 0.00 C ATOM 84 CD1 ILE A 6 -3.354 1.963 -4.475 1.00 0.00 C ATOM 85 H ILE A 6 -1.949 5.100 -0.545 1.00 0.00 H ATOM 86 HA ILE A 6 -2.060 2.245 -0.729 1.00 0.00 H ATOM 87 HB ILE A 6 -3.179 3.618 -2.342 1.00 0.00 H ATOM 88 1HG1 ILE A 6 -1.308 1.674 -3.810 1.00 0.00 H ATOM 89 2HG1 ILE A 6 -2.534 1.126 -2.685 1.00 0.00 H ATOM 90 1HG2 ILE A 6 -0.471 4.140 -3.736 1.00 0.00 H ATOM 91 2HG2 ILE A 6 -2.080 4.611 -4.330 1.00 0.00 H ATOM 92 3HG2 ILE A 6 -1.435 5.348 -2.855 1.00 0.00 H ATOM 93 1HD1 ILE A 6 -3.148 2.717 -5.257 1.00 0.00 H ATOM 94 2HD1 ILE A 6 -3.408 0.981 -4.978 1.00 0.00 H ATOM 95 3HD1 ILE A 6 -4.358 2.173 -4.062 1.00 0.00 H ATOM 96 N THR A 7 1.061 3.345 -1.272 1.00 0.00 N ATOM 97 CA THR A 7 2.488 2.877 -1.305 1.00 0.00 C ATOM 98 C THR A 7 2.928 2.024 -0.063 1.00 0.00 C ATOM 99 O THR A 7 3.528 0.962 -0.239 1.00 0.00 O ATOM 100 CB THR A 7 3.448 4.082 -1.575 1.00 0.00 C ATOM 101 OG1 THR A 7 3.060 4.774 -2.758 1.00 0.00 O ATOM 102 CG2 THR A 7 4.931 3.706 -1.764 1.00 0.00 C ATOM 103 H THR A 7 0.815 4.340 -1.311 1.00 0.00 H ATOM 104 HA THR A 7 2.573 2.211 -2.187 1.00 0.00 H ATOM 105 HB THR A 7 3.378 4.792 -0.728 1.00 0.00 H ATOM 106 HG1 THR A 7 3.625 5.549 -2.805 1.00 0.00 H ATOM 107 1HG2 THR A 7 5.547 4.597 -1.982 1.00 0.00 H ATOM 108 2HG2 THR A 7 5.356 3.235 -0.858 1.00 0.00 H ATOM 109 3HG2 THR A 7 5.067 2.997 -2.600 1.00 0.00 H HETATM 110 N AIB A 8 2.601 2.477 1.164 1.00 0.00 N HETATM 111 CA AIB A 8 2.658 1.661 2.425 1.00 0.00 C HETATM 112 C AIB A 8 1.840 0.309 2.379 1.00 0.00 C HETATM 113 O1 AIB A 8 2.274 -0.705 2.938 1.00 0.00 O HETATM 114 CB1 AIB A 8 2.024 2.548 3.530 1.00 0.00 C HETATM 115 CB2 AIB A 8 4.147 1.442 2.827 1.00 0.00 C HETATM 116 1HB1 AIB A 8 0.971 2.803 3.309 1.00 0.00 H HETATM 117 2HB1 AIB A 8 2.020 2.048 4.517 1.00 0.00 H HETATM 118 3HB1 AIB A 8 2.558 3.508 3.667 1.00 0.00 H HETATM 119 1HB2 AIB A 8 4.717 2.389 2.875 1.00 0.00 H HETATM 120 2HB2 AIB A 8 4.244 0.964 3.822 1.00 0.00 H HETATM 121 3HB2 AIB A 8 4.678 0.785 2.113 1.00 0.00 H HETATM 122 H AIB A 8 1.984 3.289 1.091 1.00 0.00 H ATOM 123 N LEU A 9 0.658 0.289 1.715 1.00 0.00 N ATOM 124 CA LEU A 9 -0.085 -0.950 1.409 1.00 0.00 C ATOM 125 C LEU A 9 0.469 -1.800 0.227 1.00 0.00 C ATOM 126 O LEU A 9 0.099 -2.972 0.176 1.00 0.00 O ATOM 127 CB LEU A 9 -1.579 -0.601 1.150 1.00 0.00 C ATOM 128 CG LEU A 9 -2.491 -0.412 2.392 1.00 0.00 C ATOM 129 CD1 LEU A 9 -3.840 0.200 1.962 1.00 0.00 C ATOM 130 CD2 LEU A 9 -2.737 -1.731 3.161 1.00 0.00 C ATOM 131 H LEU A 9 0.441 1.113 1.146 1.00 0.00 H ATOM 132 HA LEU A 9 -0.033 -1.594 2.298 1.00 0.00 H ATOM 133 1HB LEU A 9 -1.633 0.297 0.507 1.00 0.00 H ATOM 134 2HB LEU A 9 -2.041 -1.384 0.523 1.00 0.00 H ATOM 135 HG LEU A 9 -2.010 0.307 3.084 1.00 0.00 H ATOM 136 1HD1 LEU A 9 -4.393 -0.458 1.263 1.00 0.00 H ATOM 137 2HD1 LEU A 9 -4.502 0.391 2.827 1.00 0.00 H ATOM 138 3HD1 LEU A 9 -3.700 1.172 1.450 1.00 0.00 H ATOM 139 1HD2 LEU A 9 -1.803 -2.145 3.585 1.00 0.00 H ATOM 140 2HD2 LEU A 9 -3.429 -1.588 4.011 1.00 0.00 H ATOM 141 3HD2 LEU A 9 -3.174 -2.515 2.513 1.00 0.00 H HETATM 142 N AIB A 10 1.305 -1.274 -0.712 1.00 0.00 N HETATM 143 CA AIB A 10 1.822 -2.039 -1.899 1.00 0.00 C HETATM 144 C AIB A 10 2.488 -3.447 -1.547 1.00 0.00 C HETATM 145 O1 AIB A 10 2.013 -4.461 -2.078 1.00 0.00 O HETATM 146 CB1 AIB A 10 2.825 -1.137 -2.667 1.00 0.00 C HETATM 147 CB2 AIB A 10 0.623 -2.191 -2.882 1.00 0.00 C HETATM 148 1HB1 AIB A 10 3.712 -0.862 -2.074 1.00 0.00 H HETATM 149 2HB1 AIB A 10 3.207 -1.633 -3.580 1.00 0.00 H HETATM 150 3HB1 AIB A 10 2.370 -0.182 -2.995 1.00 0.00 H HETATM 151 1HB2 AIB A 10 0.157 -1.218 -3.136 1.00 0.00 H HETATM 152 2HB2 AIB A 10 0.926 -2.668 -3.832 1.00 0.00 H HETATM 153 3HB2 AIB A 10 -0.173 -2.822 -2.449 1.00 0.00 H HETATM 154 H AIB A 10 1.627 -0.313 -0.492 1.00 0.00 H HETATM 155 N HPR A 11 3.509 -3.615 -0.641 1.00 0.00 N HETATM 156 CA HPR A 11 3.967 -4.961 -0.178 1.00 0.00 C HETATM 157 C HPR A 11 2.951 -5.811 0.662 1.00 0.00 C HETATM 158 O HPR A 11 3.114 -7.031 0.755 1.00 0.00 O HETATM 159 CB HPR A 11 5.233 -4.607 0.626 1.00 0.00 C HETATM 160 CG HPR A 11 4.934 -3.243 1.255 1.00 0.00 C HETATM 161 CD HPR A 11 4.032 -2.544 0.231 1.00 0.00 C HETATM 162 OD HPR A 11 6.125 -2.507 1.503 1.00 0.00 O HETATM 163 HA HPR A 11 4.267 -5.566 -1.055 1.00 0.00 H HETATM 164 1HB HPR A 11 5.500 -5.371 1.381 1.00 0.00 H HETATM 165 2HB HPR A 11 6.102 -4.528 -0.058 1.00 0.00 H HETATM 166 1HD HPR A 11 3.218 -2.022 0.759 1.00 0.00 H HETATM 167 2HD HPR A 11 4.557 -1.788 -0.364 1.00 0.00 H HETATM 168 HOD HPR A 11 6.658 -3.055 2.085 1.00 0.00 H HETATM 169 HG HPR A 11 4.376 -3.387 2.204 1.00 0.00 H ATOM 170 N GLN A 12 1.919 -5.168 1.243 1.00 0.00 N ATOM 171 CA GLN A 12 0.786 -5.803 1.925 1.00 0.00 C ATOM 172 C GLN A 12 -0.486 -6.053 1.042 1.00 0.00 C ATOM 173 O GLN A 12 -1.468 -6.517 1.619 1.00 0.00 O ATOM 174 CB GLN A 12 0.467 -4.946 3.185 1.00 0.00 C ATOM 175 CG GLN A 12 1.517 -5.026 4.321 1.00 0.00 C ATOM 176 CD GLN A 12 1.285 -3.977 5.421 1.00 0.00 C ATOM 177 OE1 GLN A 12 0.306 -4.030 6.164 1.00 0.00 O ATOM 178 NE2 GLN A 12 2.173 -3.001 5.543 1.00 0.00 N ATOM 179 H GLN A 12 1.872 -4.169 1.098 1.00 0.00 H ATOM 180 HA GLN A 12 1.138 -6.772 2.268 1.00 0.00 H ATOM 181 1HB GLN A 12 0.309 -3.891 2.885 1.00 0.00 H ATOM 182 2HB GLN A 12 -0.500 -5.259 3.621 1.00 0.00 H ATOM 183 1HG GLN A 12 1.488 -6.032 4.779 1.00 0.00 H ATOM 184 2HG GLN A 12 2.542 -4.931 3.908 1.00 0.00 H ATOM 185 1HE2 GLN A 12 2.974 -3.031 4.901 1.00 0.00 H ATOM 186 2HE2 GLN A 12 2.004 -2.314 6.285 1.00 0.00 H HETATM 187 N AIB A 13 -0.509 -5.818 -0.303 1.00 0.00 N HETATM 188 CA AIB A 13 -1.503 -6.429 -1.253 1.00 0.00 C HETATM 189 C AIB A 13 -1.308 -8.009 -1.398 1.00 0.00 C HETATM 190 O1 AIB A 13 -2.300 -8.727 -1.231 1.00 0.00 O HETATM 191 CB1 AIB A 13 -1.293 -5.734 -2.629 1.00 0.00 C HETATM 192 CB2 AIB A 13 -2.976 -6.040 -0.888 1.00 0.00 C HETATM 193 1HB1 AIB A 13 -0.252 -5.767 -2.987 1.00 0.00 H HETATM 194 2HB1 AIB A 13 -1.911 -6.192 -3.426 1.00 0.00 H HETATM 195 3HB1 AIB A 13 -1.555 -4.658 -2.609 1.00 0.00 H HETATM 196 1HB2 AIB A 13 -3.110 -4.949 -0.744 1.00 0.00 H HETATM 197 2HB2 AIB A 13 -3.697 -6.354 -1.667 1.00 0.00 H HETATM 198 3HB2 AIB A 13 -3.325 -6.524 0.040 1.00 0.00 H HETATM 199 H AIB A 13 0.373 -5.421 -0.680 1.00 0.00 H HETATM 200 N HPR A 14 -0.106 -8.624 -1.690 1.00 0.00 N HETATM 201 CA HPR A 14 0.048 -10.094 -1.898 1.00 0.00 C HETATM 202 C HPR A 14 -0.108 -11.007 -0.644 1.00 0.00 C HETATM 203 O HPR A 14 -0.803 -12.020 -0.747 1.00 0.00 O HETATM 204 CB HPR A 14 1.444 -10.212 -2.546 1.00 0.00 C HETATM 205 CG HPR A 14 2.221 -9.017 -1.997 1.00 0.00 C HETATM 206 CD HPR A 14 1.167 -7.914 -1.931 1.00 0.00 C HETATM 207 OD HPR A 14 3.307 -8.651 -2.837 1.00 0.00 O HETATM 208 HA HPR A 14 -0.695 -10.424 -2.648 1.00 0.00 H HETATM 209 1HB HPR A 14 1.957 -11.172 -2.337 1.00 0.00 H HETATM 210 2HB HPR A 14 1.356 -10.140 -3.647 1.00 0.00 H HETATM 211 1HD HPR A 14 1.431 -7.212 -1.129 1.00 0.00 H HETATM 212 2HD HPR A 14 1.129 -7.334 -2.867 1.00 0.00 H HETATM 213 HOD HPR A 14 2.911 -8.318 -3.646 1.00 0.00 H HETATM 214 HG HPR A 14 2.580 -9.234 -0.968 1.00 0.00 H HETATM 215 N AIB A 15 0.532 -10.675 0.510 1.00 0.00 N HETATM 216 CA AIB A 15 0.431 -11.443 1.794 1.00 0.00 C HETATM 217 C AIB A 15 -1.064 -11.796 2.235 1.00 0.00 C HETATM 218 O1 AIB A 15 -1.331 -12.979 2.475 1.00 0.00 O HETATM 219 CB1 AIB A 15 1.164 -10.606 2.882 1.00 0.00 C HETATM 220 CB2 AIB A 15 1.306 -12.726 1.631 1.00 0.00 C HETATM 221 1HB1 AIB A 15 0.776 -9.580 2.987 1.00 0.00 H HETATM 222 2HB1 AIB A 15 1.095 -11.076 3.882 1.00 0.00 H HETATM 223 3HB1 AIB A 15 2.245 -10.482 2.670 1.00 0.00 H HETATM 224 1HB2 AIB A 15 2.341 -12.503 1.299 1.00 0.00 H HETATM 225 2HB2 AIB A 15 1.394 -13.290 2.578 1.00 0.00 H HETATM 226 3HB2 AIB A 15 0.882 -13.427 0.889 1.00 0.00 H HETATM 227 H AIB A 15 1.057 -9.796 0.462 1.00 0.00 H ATOM 228 N PRO A 16 -2.091 -10.883 2.292 1.00 0.00 N ATOM 229 CA PRO A 16 -3.523 -11.264 2.450 1.00 0.00 C ATOM 230 C PRO A 16 -4.246 -11.789 1.161 1.00 0.00 C ATOM 231 O PRO A 16 -5.024 -12.737 1.285 1.00 0.00 O ATOM 232 CB PRO A 16 -4.148 -9.967 2.999 1.00 0.00 C ATOM 233 CG PRO A 16 -3.324 -8.840 2.384 1.00 0.00 C ATOM 234 CD PRO A 16 -1.918 -9.421 2.226 1.00 0.00 C ATOM 235 HA PRO A 16 -3.617 -12.042 3.234 1.00 0.00 H ATOM 236 1HB PRO A 16 -5.229 -9.868 2.778 1.00 0.00 H ATOM 237 2HB PRO A 16 -4.054 -9.938 4.100 1.00 0.00 H ATOM 238 1HG PRO A 16 -3.733 -8.569 1.391 1.00 0.00 H ATOM 239 2HG PRO A 16 -3.341 -7.922 2.999 1.00 0.00 H ATOM 240 1HD PRO A 16 -1.472 -9.103 1.270 1.00 0.00 H ATOM 241 2HD PRO A 16 -1.256 -9.058 3.030 1.00 0.00 H HETATM 242 N PHL A 17 -4.045 -11.167 -0.027 1.00 0.00 N HETATM 243 CA PHL A 17 -4.817 -11.499 -1.256 1.00 0.00 C HETATM 244 C PHL A 17 -3.817 -11.697 -2.418 1.00 0.00 C HETATM 245 O PHL A 17 -4.474 -12.200 -3.577 1.00 0.00 O HETATM 246 CB PHL A 17 -5.864 -10.386 -1.558 1.00 0.00 C HETATM 247 CG PHL A 17 -7.056 -10.316 -0.581 1.00 0.00 C HETATM 248 CD1 PHL A 17 -8.089 -11.260 -0.662 1.00 0.00 C HETATM 249 CD2 PHL A 17 -7.115 -9.320 0.402 1.00 0.00 C HETATM 250 CE1 PHL A 17 -9.157 -11.212 0.232 1.00 0.00 C HETATM 251 CE2 PHL A 17 -8.184 -9.274 1.293 1.00 0.00 C HETATM 252 CZ PHL A 17 -9.204 -10.219 1.207 1.00 0.00 C HETATM 253 H1 PHL A 17 -3.032 -12.420 -2.133 1.00 0.00 H HETATM 254 H2 PHL A 17 -3.294 -10.756 -2.671 1.00 0.00 H HETATM 255 HO PHL A 17 -5.004 -11.476 -3.915 1.00 0.00 H HETATM 256 HA PHL A 17 -5.352 -12.461 -1.138 1.00 0.00 H HETATM 257 1HB PHL A 17 -5.358 -9.399 -1.626 1.00 0.00 H HETATM 258 2HB PHL A 17 -6.273 -10.540 -2.576 1.00 0.00 H HETATM 259 HD1 PHL A 17 -8.064 -12.038 -1.410 1.00 0.00 H HETATM 260 HD2 PHL A 17 -6.329 -8.585 0.485 1.00 0.00 H HETATM 261 HE1 PHL A 17 -9.947 -11.948 0.172 1.00 0.00 H HETATM 262 HE2 PHL A 17 -8.223 -8.507 2.055 1.00 0.00 H HETATM 263 HZ PHL A 17 -10.033 -10.184 1.902 1.00 0.00 H HETATM 264 H PHL A 17 -3.380 -10.379 -0.015 1.00 0.00 H TER 265 PHL A 17 HETATM 266 C ACE A 1 -2.181 10.219 1.350 1.00 0.00 C HETATM 267 O ACE A 1 -2.127 9.168 1.991 1.00 0.00 O HETATM 268 CH3 ACE A 1 -1.272 11.391 1.696 1.00 0.00 C HETATM 269 H1 ACE A 1 -1.848 12.271 2.029 1.00 0.00 H HETATM 270 H2 ACE A 1 -0.562 11.118 2.496 1.00 0.00 H HETATM 271 H3 ACE A 1 -0.666 11.687 0.816 1.00 0.00 H ENDMDL MODEL 16 ATOM 1 N TRP A 2 -3.128 10.517 0.019 1.00 0.00 N ATOM 2 CA TRP A 2 -3.650 9.197 -0.444 1.00 0.00 C ATOM 3 C TRP A 2 -2.631 8.320 -1.250 1.00 0.00 C ATOM 4 O TRP A 2 -2.759 7.092 -1.244 1.00 0.00 O ATOM 5 CB TRP A 2 -4.976 9.376 -1.243 1.00 0.00 C ATOM 6 CG TRP A 2 -6.131 10.063 -0.488 1.00 0.00 C ATOM 7 CD1 TRP A 2 -6.772 9.568 0.670 1.00 0.00 C ATOM 8 CD2 TRP A 2 -6.702 11.306 -0.721 1.00 0.00 C ATOM 9 NE1 TRP A 2 -7.722 10.475 1.173 1.00 0.00 N ATOM 10 CE2 TRP A 2 -7.659 11.548 0.299 1.00 0.00 C ATOM 11 CE3 TRP A 2 -6.460 12.283 -1.723 1.00 0.00 C ATOM 12 CZ2 TRP A 2 -8.371 12.772 0.330 1.00 0.00 C ATOM 13 CZ3 TRP A 2 -7.183 13.477 -1.677 1.00 0.00 C ATOM 14 CH2 TRP A 2 -8.120 13.719 -0.665 1.00 0.00 C ATOM 15 H TRP A 2 -3.412 11.381 -0.445 1.00 0.00 H ATOM 16 HA TRP A 2 -3.906 8.634 0.468 1.00 0.00 H ATOM 17 1HB TRP A 2 -4.769 9.917 -2.187 1.00 0.00 H ATOM 18 2HB TRP A 2 -5.340 8.383 -1.569 1.00 0.00 H ATOM 19 HD1 TRP A 2 -6.533 8.626 1.142 1.00 0.00 H ATOM 20 HE1 TRP A 2 -8.300 10.381 2.015 1.00 0.00 H ATOM 21 HE3 TRP A 2 -5.738 12.114 -2.509 1.00 0.00 H ATOM 22 HZ2 TRP A 2 -9.091 12.978 1.109 1.00 0.00 H ATOM 23 HZ3 TRP A 2 -7.016 14.229 -2.435 1.00 0.00 H ATOM 24 HH2 TRP A 2 -8.656 14.657 -0.652 1.00 0.00 H ATOM 25 N ILE A 3 -1.610 8.927 -1.898 1.00 0.00 N ATOM 26 CA ILE A 3 -0.436 8.198 -2.466 1.00 0.00 C ATOM 27 C ILE A 3 0.435 7.467 -1.391 1.00 0.00 C ATOM 28 O ILE A 3 0.829 6.322 -1.619 1.00 0.00 O ATOM 29 CB ILE A 3 0.388 9.109 -3.454 1.00 0.00 C ATOM 30 CG1 ILE A 3 -0.447 9.803 -4.579 1.00 0.00 C ATOM 31 CG2 ILE A 3 1.602 8.391 -4.098 1.00 0.00 C ATOM 32 CD1 ILE A 3 -1.262 8.886 -5.511 1.00 0.00 C ATOM 33 H ILE A 3 -1.620 9.950 -1.834 1.00 0.00 H ATOM 34 HA ILE A 3 -0.865 7.394 -3.068 1.00 0.00 H ATOM 35 HB ILE A 3 0.814 9.928 -2.844 1.00 0.00 H ATOM 36 1HG1 ILE A 3 -1.141 10.528 -4.116 1.00 0.00 H ATOM 37 2HG1 ILE A 3 0.220 10.431 -5.200 1.00 0.00 H ATOM 38 1HG2 ILE A 3 1.295 7.500 -4.678 1.00 0.00 H ATOM 39 2HG2 ILE A 3 2.162 9.055 -4.784 1.00 0.00 H ATOM 40 3HG2 ILE A 3 2.331 8.049 -3.340 1.00 0.00 H ATOM 41 1HD1 ILE A 3 -2.004 8.287 -4.952 1.00 0.00 H ATOM 42 2HD1 ILE A 3 -1.823 9.479 -6.257 1.00 0.00 H ATOM 43 3HD1 ILE A 3 -0.618 8.184 -6.070 1.00 0.00 H ATOM 44 N GLN A 4 0.710 8.104 -0.239 1.00 0.00 N ATOM 45 CA GLN A 4 1.363 7.445 0.931 1.00 0.00 C ATOM 46 C GLN A 4 0.568 6.274 1.578 1.00 0.00 C ATOM 47 O GLN A 4 1.178 5.242 1.869 1.00 0.00 O ATOM 48 CB GLN A 4 1.752 8.517 1.983 1.00 0.00 C ATOM 49 CG GLN A 4 3.004 9.345 1.604 1.00 0.00 C ATOM 50 CD GLN A 4 2.864 10.847 1.906 1.00 0.00 C ATOM 51 OE1 GLN A 4 3.053 11.296 3.036 1.00 0.00 O ATOM 52 NE2 GLN A 4 2.523 11.647 0.906 1.00 0.00 N ATOM 53 H GLN A 4 0.260 9.020 -0.179 1.00 0.00 H ATOM 54 HA GLN A 4 2.302 6.997 0.559 1.00 0.00 H ATOM 55 1HB GLN A 4 0.878 9.166 2.190 1.00 0.00 H ATOM 56 2HB GLN A 4 1.959 8.038 2.960 1.00 0.00 H ATOM 57 1HG GLN A 4 3.872 8.937 2.156 1.00 0.00 H ATOM 58 2HG GLN A 4 3.273 9.189 0.540 1.00 0.00 H ATOM 59 1HE2 GLN A 4 2.380 11.206 -0.009 1.00 0.00 H ATOM 60 2HE2 GLN A 4 2.437 12.646 1.125 1.00 0.00 H HETATM 61 N DIV A 5 -0.768 6.407 1.771 1.00 0.00 N HETATM 62 CA DIV A 5 -1.692 5.294 2.181 1.00 0.00 C HETATM 63 CB1 DIV A 5 -1.454 4.999 3.712 1.00 0.00 C HETATM 64 CG1 DIV A 5 -2.433 4.061 4.448 1.00 0.00 C HETATM 65 CB2 DIV A 5 -3.123 5.886 2.024 1.00 0.00 C HETATM 66 C DIV A 5 -1.536 4.021 1.243 1.00 0.00 C HETATM 67 O DIV A 5 -1.249 2.927 1.739 1.00 0.00 O HETATM 68 1HB1 DIV A 5 -0.437 4.588 3.848 1.00 0.00 H HETATM 69 2HB1 DIV A 5 -1.438 5.950 4.279 1.00 0.00 H HETATM 70 1HG1 DIV A 5 -2.566 3.096 3.929 1.00 0.00 H HETATM 71 2HG1 DIV A 5 -2.072 3.835 5.466 1.00 0.00 H HETATM 72 3HG1 DIV A 5 -3.433 4.518 4.559 1.00 0.00 H HETATM 73 1HB2 DIV A 5 -3.345 6.206 0.991 1.00 0.00 H HETATM 74 2HB2 DIV A 5 -3.904 5.149 2.286 1.00 0.00 H HETATM 75 3HB2 DIV A 5 -3.290 6.770 2.670 1.00 0.00 H HETATM 76 H DIV A 5 -1.132 7.319 1.470 1.00 0.00 H ATOM 77 N ILE A 6 -1.650 4.155 -0.109 1.00 0.00 N ATOM 78 CA ILE A 6 -1.457 3.023 -1.061 1.00 0.00 C ATOM 79 C ILE A 6 0.005 2.488 -1.186 1.00 0.00 C ATOM 80 O ILE A 6 0.162 1.267 -1.192 1.00 0.00 O ATOM 81 CB ILE A 6 -2.212 3.228 -2.423 1.00 0.00 C ATOM 82 CG1 ILE A 6 -2.361 1.946 -3.298 1.00 0.00 C ATOM 83 CG2 ILE A 6 -1.623 4.355 -3.301 1.00 0.00 C ATOM 84 CD1 ILE A 6 -3.084 0.752 -2.652 1.00 0.00 C ATOM 85 H ILE A 6 -1.950 5.072 -0.450 1.00 0.00 H ATOM 86 HA ILE A 6 -2.019 2.214 -0.577 1.00 0.00 H ATOM 87 HB ILE A 6 -3.243 3.544 -2.170 1.00 0.00 H ATOM 88 1HG1 ILE A 6 -2.918 2.199 -4.219 1.00 0.00 H ATOM 89 2HG1 ILE A 6 -1.368 1.607 -3.649 1.00 0.00 H ATOM 90 1HG2 ILE A 6 -0.615 4.102 -3.682 1.00 0.00 H ATOM 91 2HG2 ILE A 6 -2.262 4.572 -4.178 1.00 0.00 H ATOM 92 3HG2 ILE A 6 -1.529 5.295 -2.736 1.00 0.00 H ATOM 93 1HD1 ILE A 6 -4.076 1.036 -2.255 1.00 0.00 H ATOM 94 2HD1 ILE A 6 -3.244 -0.058 -3.388 1.00 0.00 H ATOM 95 3HD1 ILE A 6 -2.501 0.313 -1.820 1.00 0.00 H ATOM 96 N THR A 7 1.054 3.335 -1.262 1.00 0.00 N ATOM 97 CA THR A 7 2.483 2.879 -1.334 1.00 0.00 C ATOM 98 C THR A 7 2.952 2.026 -0.101 1.00 0.00 C ATOM 99 O THR A 7 3.563 0.972 -0.289 1.00 0.00 O ATOM 100 CB THR A 7 3.412 4.099 -1.634 1.00 0.00 C ATOM 101 OG1 THR A 7 2.984 4.766 -2.821 1.00 0.00 O ATOM 102 CG2 THR A 7 4.900 3.754 -1.846 1.00 0.00 C ATOM 103 H THR A 7 0.806 4.331 -1.236 1.00 0.00 H ATOM 104 HA THR A 7 2.553 2.213 -2.218 1.00 0.00 H ATOM 105 HB THR A 7 3.345 4.820 -0.796 1.00 0.00 H ATOM 106 HG1 THR A 7 3.511 5.566 -2.878 1.00 0.00 H ATOM 107 1HG2 THR A 7 5.492 4.655 -2.092 1.00 0.00 H ATOM 108 2HG2 THR A 7 5.355 3.311 -0.940 1.00 0.00 H ATOM 109 3HG2 THR A 7 5.042 3.031 -2.672 1.00 0.00 H HETATM 110 N AIB A 8 2.626 2.464 1.136 1.00 0.00 N HETATM 111 CA AIB A 8 2.713 1.644 2.391 1.00 0.00 C HETATM 112 C AIB A 8 1.886 0.296 2.367 1.00 0.00 C HETATM 113 O1 AIB A 8 2.315 -0.711 2.946 1.00 0.00 O HETATM 114 CB1 AIB A 8 2.104 2.527 3.511 1.00 0.00 C HETATM 115 CB2 AIB A 8 4.208 1.410 2.759 1.00 0.00 C HETATM 116 1HB1 AIB A 8 1.044 2.778 3.315 1.00 0.00 H HETATM 117 2HB1 AIB A 8 2.125 2.025 4.497 1.00 0.00 H HETATM 118 3HB1 AIB A 8 2.640 3.487 3.636 1.00 0.00 H HETATM 119 1HB2 AIB A 8 4.789 2.352 2.790 1.00 0.00 H HETATM 120 2HB2 AIB A 8 4.321 0.936 3.752 1.00 0.00 H HETATM 121 3HB2 AIB A 8 4.715 0.742 2.038 1.00 0.00 H HETATM 122 H AIB A 8 1.965 3.242 1.070 1.00 0.00 H ATOM 123 N LEU A 9 0.701 0.269 1.711 1.00 0.00 N ATOM 124 CA LEU A 9 -0.048 -0.974 1.428 1.00 0.00 C ATOM 125 C LEU A 9 0.488 -1.829 0.240 1.00 0.00 C ATOM 126 O LEU A 9 0.095 -2.993 0.178 1.00 0.00 O ATOM 127 CB LEU A 9 -1.543 -0.619 1.181 1.00 0.00 C ATOM 128 CG LEU A 9 -2.436 -0.338 2.421 1.00 0.00 C ATOM 129 CD1 LEU A 9 -3.777 0.272 1.967 1.00 0.00 C ATOM 130 CD2 LEU A 9 -2.694 -1.600 3.272 1.00 0.00 C ATOM 131 H LEU A 9 0.480 1.083 1.132 1.00 0.00 H ATOM 132 HA LEU A 9 0.013 -1.611 2.322 1.00 0.00 H ATOM 133 1HB LEU A 9 -1.588 0.244 0.491 1.00 0.00 H ATOM 134 2HB LEU A 9 -2.029 -1.421 0.600 1.00 0.00 H ATOM 135 HG LEU A 9 -1.932 0.412 3.059 1.00 0.00 H ATOM 136 1HD1 LEU A 9 -4.351 -0.421 1.322 1.00 0.00 H ATOM 137 2HD1 LEU A 9 -4.423 0.532 2.827 1.00 0.00 H ATOM 138 3HD1 LEU A 9 -3.627 1.203 1.390 1.00 0.00 H ATOM 139 1HD2 LEU A 9 -1.760 -2.022 3.687 1.00 0.00 H ATOM 140 2HD2 LEU A 9 -3.347 -1.381 4.138 1.00 0.00 H ATOM 141 3HD2 LEU A 9 -3.183 -2.403 2.689 1.00 0.00 H HETATM 142 N AIB A 10 1.337 -1.312 -0.692 1.00 0.00 N HETATM 143 CA AIB A 10 1.861 -2.080 -1.874 1.00 0.00 C HETATM 144 C AIB A 10 2.521 -3.490 -1.519 1.00 0.00 C HETATM 145 O1 AIB A 10 2.077 -4.494 -2.093 1.00 0.00 O HETATM 146 CB1 AIB A 10 2.885 -1.189 -2.628 1.00 0.00 C HETATM 147 CB2 AIB A 10 0.668 -2.216 -2.867 1.00 0.00 C HETATM 148 1HB1 AIB A 10 3.769 -0.932 -2.023 1.00 0.00 H HETATM 149 2HB1 AIB A 10 3.270 -1.688 -3.539 1.00 0.00 H HETATM 150 3HB1 AIB A 10 2.448 -0.227 -2.959 1.00 0.00 H HETATM 151 1HB2 AIB A 10 0.219 -1.237 -3.125 1.00 0.00 H HETATM 152 2HB2 AIB A 10 0.970 -2.700 -3.814 1.00 0.00 H HETATM 153 3HB2 AIB A 10 -0.139 -2.837 -2.438 1.00 0.00 H HETATM 154 H AIB A 10 1.673 -0.358 -0.467 1.00 0.00 H HETATM 155 N HPR A 11 3.505 -3.673 -0.571 1.00 0.00 N HETATM 156 CA HPR A 11 3.943 -5.026 -0.107 1.00 0.00 C HETATM 157 C HPR A 11 2.906 -5.872 0.709 1.00 0.00 C HETATM 158 O HPR A 11 3.048 -7.096 0.781 1.00 0.00 O HETATM 159 CB HPR A 11 5.194 -4.689 0.723 1.00 0.00 C HETATM 160 CG HPR A 11 4.906 -3.317 1.338 1.00 0.00 C HETATM 161 CD HPR A 11 4.031 -2.604 0.300 1.00 0.00 C HETATM 162 OD HPR A 11 6.105 -2.599 1.600 1.00 0.00 O HETATM 163 HA HPR A 11 4.254 -5.628 -0.983 1.00 0.00 H HETATM 164 1HB HPR A 11 5.432 -5.451 1.493 1.00 0.00 H HETATM 165 2HB HPR A 11 6.083 -4.630 0.062 1.00 0.00 H HETATM 166 1HD HPR A 11 3.216 -2.072 0.811 1.00 0.00 H HETATM 167 2HD HPR A 11 4.582 -1.858 -0.289 1.00 0.00 H HETATM 168 HOD HPR A 11 6.597 -3.135 2.227 1.00 0.00 H HETATM 169 HG HPR A 11 4.338 -3.448 2.281 1.00 0.00 H ATOM 170 N GLN A 12 1.876 -5.224 1.294 1.00 0.00 N ATOM 171 CA GLN A 12 0.706 -5.868 1.903 1.00 0.00 C ATOM 172 C GLN A 12 -0.537 -6.038 0.960 1.00 0.00 C ATOM 173 O GLN A 12 -1.591 -6.397 1.486 1.00 0.00 O ATOM 174 CB GLN A 12 0.345 -5.082 3.200 1.00 0.00 C ATOM 175 CG GLN A 12 1.377 -5.192 4.350 1.00 0.00 C ATOM 176 CD GLN A 12 1.012 -4.313 5.555 1.00 0.00 C ATOM 177 OE1 GLN A 12 0.200 -4.689 6.398 1.00 0.00 O ATOM 178 NE2 GLN A 12 1.597 -3.128 5.661 1.00 0.00 N ATOM 179 H GLN A 12 1.818 -4.229 1.130 1.00 0.00 H ATOM 180 HA GLN A 12 1.027 -6.862 2.204 1.00 0.00 H ATOM 181 1HB GLN A 12 0.171 -4.016 2.952 1.00 0.00 H ATOM 182 2HB GLN A 12 -0.624 -5.440 3.599 1.00 0.00 H ATOM 183 1HG GLN A 12 1.445 -6.246 4.684 1.00 0.00 H ATOM 184 2HG GLN A 12 2.394 -4.943 3.985 1.00 0.00 H ATOM 185 1HE2 GLN A 12 2.291 -2.891 4.944 1.00 0.00 H ATOM 186 2HE2 GLN A 12 1.352 -2.573 6.487 1.00 0.00 H HETATM 187 N AIB A 13 -0.466 -5.841 -0.387 1.00 0.00 N HETATM 188 CA AIB A 13 -1.441 -6.408 -1.383 1.00 0.00 C HETATM 189 C AIB A 13 -1.286 -7.995 -1.496 1.00 0.00 C HETATM 190 O1 AIB A 13 -2.301 -8.685 -1.329 1.00 0.00 O HETATM 191 CB1 AIB A 13 -1.144 -5.733 -2.752 1.00 0.00 C HETATM 192 CB2 AIB A 13 -2.905 -5.947 -1.086 1.00 0.00 C HETATM 193 1HB1 AIB A 13 -0.079 -5.750 -3.039 1.00 0.00 H HETATM 194 2HB1 AIB A 13 -1.699 -6.220 -3.580 1.00 0.00 H HETATM 195 3HB1 AIB A 13 -1.427 -4.662 -2.771 1.00 0.00 H HETATM 196 1HB2 AIB A 13 -2.974 -4.855 -0.914 1.00 0.00 H HETATM 197 2HB2 AIB A 13 -3.592 -6.182 -1.922 1.00 0.00 H HETATM 198 3HB2 AIB A 13 -3.333 -6.439 -0.197 1.00 0.00 H HETATM 199 H AIB A 13 0.454 -5.514 -0.731 1.00 0.00 H HETATM 200 N HPR A 14 -0.091 -8.641 -1.749 1.00 0.00 N HETATM 201 CA HPR A 14 0.035 -10.118 -1.917 1.00 0.00 C HETATM 202 C HPR A 14 -0.134 -10.994 -0.640 1.00 0.00 C HETATM 203 O HPR A 14 -0.844 -11.999 -0.719 1.00 0.00 O HETATM 204 CB HPR A 14 1.433 -10.281 -2.553 1.00 0.00 C HETATM 205 CG HPR A 14 2.230 -9.088 -2.025 1.00 0.00 C HETATM 206 CD HPR A 14 1.203 -7.964 -1.994 1.00 0.00 C HETATM 207 OD HPR A 14 3.325 -8.763 -2.873 1.00 0.00 O HETATM 208 HA HPR A 14 -0.714 -10.457 -2.661 1.00 0.00 H HETATM 209 1HB HPR A 14 1.922 -11.242 -2.318 1.00 0.00 H HETATM 210 2HB HPR A 14 1.352 -10.238 -3.656 1.00 0.00 H HETATM 211 1HD HPR A 14 1.473 -7.247 -1.210 1.00 0.00 H HETATM 212 2HD HPR A 14 1.182 -7.409 -2.946 1.00 0.00 H HETATM 213 HOD HPR A 14 2.939 -8.400 -3.674 1.00 0.00 H HETATM 214 HG HPR A 14 2.584 -9.290 -0.992 1.00 0.00 H HETATM 215 N AIB A 15 0.514 -10.643 0.502 1.00 0.00 N HETATM 216 CA AIB A 15 0.414 -11.381 1.803 1.00 0.00 C HETATM 217 C AIB A 15 -1.084 -11.700 2.252 1.00 0.00 C HETATM 218 O1 AIB A 15 -1.366 -12.878 2.506 1.00 0.00 O HETATM 219 CB1 AIB A 15 1.162 -10.533 2.871 1.00 0.00 C HETATM 220 CB2 AIB A 15 1.274 -12.676 1.661 1.00 0.00 C HETATM 221 1HB1 AIB A 15 0.785 -9.501 2.962 1.00 0.00 H HETATM 222 2HB1 AIB A 15 1.093 -10.985 3.879 1.00 0.00 H HETATM 223 3HB1 AIB A 15 2.242 -10.425 2.653 1.00 0.00 H HETATM 224 1HB2 AIB A 15 2.305 -12.470 1.315 1.00 0.00 H HETATM 225 2HB2 AIB A 15 1.364 -13.222 2.621 1.00 0.00 H HETATM 226 3HB2 AIB A 15 0.834 -13.390 0.937 1.00 0.00 H HETATM 227 H AIB A 15 1.051 -9.772 0.429 1.00 0.00 H ATOM 228 N PRO A 16 -2.098 -10.774 2.294 1.00 0.00 N ATOM 229 CA PRO A 16 -3.533 -11.141 2.437 1.00 0.00 C ATOM 230 C PRO A 16 -4.224 -11.708 1.152 1.00 0.00 C ATOM 231 O PRO A 16 -4.955 -12.695 1.286 1.00 0.00 O ATOM 232 CB PRO A 16 -4.168 -9.832 2.945 1.00 0.00 C ATOM 233 CG PRO A 16 -3.311 -8.713 2.356 1.00 0.00 C ATOM 234 CD PRO A 16 -1.907 -9.314 2.208 1.00 0.00 C ATOM 235 HA PRO A 16 -3.637 -11.896 3.243 1.00 0.00 H ATOM 236 1HB PRO A 16 -5.237 -9.721 2.676 1.00 0.00 H ATOM 237 2HB PRO A 16 -4.117 -9.792 4.050 1.00 0.00 H ATOM 238 1HG PRO A 16 -3.703 -8.419 1.364 1.00 0.00 H ATOM 239 2HG PRO A 16 -3.316 -7.809 2.991 1.00 0.00 H ATOM 240 1HD PRO A 16 -1.463 -9.015 1.245 1.00 0.00 H ATOM 241 2HD PRO A 16 -1.237 -8.946 3.002 1.00 0.00 H HETATM 242 N PHL A 17 -4.038 -11.105 -0.050 1.00 0.00 N HETATM 243 CA PHL A 17 -4.779 -11.517 -1.276 1.00 0.00 C HETATM 244 C PHL A 17 -3.812 -12.269 -2.216 1.00 0.00 C HETATM 245 O PHL A 17 -4.512 -12.829 -3.322 1.00 0.00 O HETATM 246 CB PHL A 17 -5.453 -10.303 -1.986 1.00 0.00 C HETATM 247 CG PHL A 17 -6.402 -9.439 -1.128 1.00 0.00 C HETATM 248 CD1 PHL A 17 -6.077 -8.103 -0.865 1.00 0.00 C HETATM 249 CD2 PHL A 17 -7.572 -9.978 -0.583 1.00 0.00 C HETATM 250 CE1 PHL A 17 -6.900 -7.324 -0.056 1.00 0.00 C HETATM 251 CE2 PHL A 17 -8.394 -9.198 0.230 1.00 0.00 C HETATM 252 CZ PHL A 17 -8.058 -7.873 0.492 1.00 0.00 C HETATM 253 H1 PHL A 17 -3.304 -13.093 -1.678 1.00 0.00 H HETATM 254 H2 PHL A 17 -3.006 -11.603 -2.583 1.00 0.00 H HETATM 255 HO PHL A 17 -4.982 -12.101 -3.735 1.00 0.00 H HETATM 256 HA PHL A 17 -5.592 -12.225 -1.019 1.00 0.00 H HETATM 257 1HB PHL A 17 -4.671 -9.670 -2.453 1.00 0.00 H HETATM 258 2HB PHL A 17 -6.038 -10.679 -2.847 1.00 0.00 H HETATM 259 HD1 PHL A 17 -5.186 -7.668 -1.282 1.00 0.00 H HETATM 260 HD2 PHL A 17 -7.842 -11.007 -0.771 1.00 0.00 H HETATM 261 HE1 PHL A 17 -6.643 -6.294 0.143 1.00 0.00 H HETATM 262 HE2 PHL A 17 -9.293 -9.622 0.654 1.00 0.00 H HETATM 263 HZ PHL A 17 -8.697 -7.266 1.119 1.00 0.00 H HETATM 264 H PHL A 17 -3.387 -10.305 -0.061 1.00 0.00 H TER 265 PHL A 17 HETATM 266 C ACE A 1 -2.159 10.636 0.937 1.00 0.00 C HETATM 267 O ACE A 1 -1.760 9.710 1.648 1.00 0.00 O HETATM 268 CH3 ACE A 1 -1.493 12.006 0.985 1.00 0.00 C HETATM 269 H1 ACE A 1 -1.084 12.275 -0.008 1.00 0.00 H HETATM 270 H2 ACE A 1 -2.207 12.793 1.286 1.00 0.00 H HETATM 271 H3 ACE A 1 -0.647 12.014 1.693 1.00 0.00 H ENDMDL MODEL 17 ATOM 1 N TRP A 2 -3.350 10.375 -0.088 1.00 0.00 N ATOM 2 CA TRP A 2 -3.783 8.974 -0.342 1.00 0.00 C ATOM 3 C TRP A 2 -2.820 8.116 -1.244 1.00 0.00 C ATOM 4 O TRP A 2 -2.932 6.886 -1.226 1.00 0.00 O ATOM 5 CB TRP A 2 -5.256 8.984 -0.841 1.00 0.00 C ATOM 6 CG TRP A 2 -5.998 7.649 -0.679 1.00 0.00 C ATOM 7 CD1 TRP A 2 -6.468 7.115 0.543 1.00 0.00 C ATOM 8 CD2 TRP A 2 -6.373 6.733 -1.647 1.00 0.00 C ATOM 9 NE1 TRP A 2 -7.123 5.883 0.362 1.00 0.00 N ATOM 10 CE2 TRP A 2 -7.061 5.672 -1.005 1.00 0.00 C ATOM 11 CE3 TRP A 2 -6.188 6.721 -3.055 1.00 0.00 C ATOM 12 CZ2 TRP A 2 -7.589 4.603 -1.768 1.00 0.00 C ATOM 13 CZ3 TRP A 2 -6.707 5.649 -3.784 1.00 0.00 C ATOM 14 CH2 TRP A 2 -7.402 4.611 -3.151 1.00 0.00 C ATOM 15 H TRP A 2 -3.801 11.166 -0.554 1.00 0.00 H ATOM 16 HA TRP A 2 -3.799 8.496 0.651 1.00 0.00 H ATOM 17 1HB TRP A 2 -5.843 9.739 -0.280 1.00 0.00 H ATOM 18 2HB TRP A 2 -5.303 9.328 -1.893 1.00 0.00 H ATOM 19 HD1 TRP A 2 -6.347 7.593 1.505 1.00 0.00 H ATOM 20 HE1 TRP A 2 -7.544 5.281 1.078 1.00 0.00 H ATOM 21 HE3 TRP A 2 -5.662 7.519 -3.557 1.00 0.00 H ATOM 22 HZ2 TRP A 2 -8.115 3.789 -1.289 1.00 0.00 H ATOM 23 HZ3 TRP A 2 -6.569 5.618 -4.855 1.00 0.00 H ATOM 24 HH2 TRP A 2 -7.788 3.792 -3.741 1.00 0.00 H ATOM 25 N ILE A 3 -1.850 8.720 -1.971 1.00 0.00 N ATOM 26 CA ILE A 3 -0.705 7.979 -2.581 1.00 0.00 C ATOM 27 C ILE A 3 0.236 7.243 -1.573 1.00 0.00 C ATOM 28 O ILE A 3 0.637 6.117 -1.862 1.00 0.00 O ATOM 29 CB ILE A 3 0.034 8.837 -3.669 1.00 0.00 C ATOM 30 CG1 ILE A 3 0.931 7.960 -4.595 1.00 0.00 C ATOM 31 CG2 ILE A 3 0.824 10.040 -3.087 1.00 0.00 C ATOM 32 CD1 ILE A 3 1.345 8.609 -5.925 1.00 0.00 C ATOM 33 H ILE A 3 -1.848 9.744 -1.915 1.00 0.00 H ATOM 34 HA ILE A 3 -1.200 7.171 -3.129 1.00 0.00 H ATOM 35 HB ILE A 3 -0.755 9.261 -4.321 1.00 0.00 H ATOM 36 1HG1 ILE A 3 1.838 7.633 -4.051 1.00 0.00 H ATOM 37 2HG1 ILE A 3 0.400 7.021 -4.845 1.00 0.00 H ATOM 38 1HG2 ILE A 3 1.685 9.713 -2.475 1.00 0.00 H ATOM 39 2HG2 ILE A 3 1.223 10.695 -3.883 1.00 0.00 H ATOM 40 3HG2 ILE A 3 0.190 10.675 -2.442 1.00 0.00 H ATOM 41 1HD1 ILE A 3 1.951 9.521 -5.772 1.00 0.00 H ATOM 42 2HD1 ILE A 3 1.952 7.913 -6.531 1.00 0.00 H ATOM 43 3HD1 ILE A 3 0.465 8.887 -6.531 1.00 0.00 H ATOM 44 N GLN A 4 0.564 7.858 -0.423 1.00 0.00 N ATOM 45 CA GLN A 4 1.311 7.186 0.679 1.00 0.00 C ATOM 46 C GLN A 4 0.515 6.147 1.518 1.00 0.00 C ATOM 47 O GLN A 4 1.137 5.169 1.936 1.00 0.00 O ATOM 48 CB GLN A 4 2.041 8.221 1.575 1.00 0.00 C ATOM 49 CG GLN A 4 3.421 8.660 1.035 1.00 0.00 C ATOM 50 CD GLN A 4 4.542 7.620 1.242 1.00 0.00 C ATOM 51 OE1 GLN A 4 4.693 6.673 0.472 1.00 0.00 O ATOM 52 NE2 GLN A 4 5.343 7.766 2.285 1.00 0.00 N ATOM 53 H GLN A 4 0.134 8.777 -0.321 1.00 0.00 H ATOM 54 HA GLN A 4 2.099 6.589 0.193 1.00 0.00 H ATOM 55 1HB GLN A 4 1.401 9.113 1.730 1.00 0.00 H ATOM 56 2HB GLN A 4 2.192 7.817 2.594 1.00 0.00 H ATOM 57 1HG GLN A 4 3.337 8.883 -0.046 1.00 0.00 H ATOM 58 2HG GLN A 4 3.699 9.620 1.507 1.00 0.00 H ATOM 59 1HE2 GLN A 4 5.162 8.574 2.893 1.00 0.00 H ATOM 60 2HE2 GLN A 4 6.066 7.051 2.412 1.00 0.00 H HETATM 61 N DIV A 5 -0.821 6.286 1.733 1.00 0.00 N HETATM 62 CA DIV A 5 -1.720 5.164 2.192 1.00 0.00 C HETATM 63 CB1 DIV A 5 -1.451 4.904 3.724 1.00 0.00 C HETATM 64 CG1 DIV A 5 -2.394 3.957 4.493 1.00 0.00 C HETATM 65 CB2 DIV A 5 -3.171 5.710 2.047 1.00 0.00 C HETATM 66 C DIV A 5 -1.545 3.876 1.270 1.00 0.00 C HETATM 67 O DIV A 5 -1.233 2.788 1.763 1.00 0.00 O HETATM 68 1HB1 DIV A 5 -0.424 4.517 3.853 1.00 0.00 H HETATM 69 2HB1 DIV A 5 -1.445 5.865 4.272 1.00 0.00 H HETATM 70 1HG1 DIV A 5 -2.549 2.997 3.971 1.00 0.00 H HETATM 71 2HG1 DIV A 5 -1.991 3.720 5.495 1.00 0.00 H HETATM 72 3HG1 DIV A 5 -3.390 4.412 4.650 1.00 0.00 H HETATM 73 1HB2 DIV A 5 -3.425 5.991 1.008 1.00 0.00 H HETATM 74 2HB2 DIV A 5 -3.929 4.962 2.343 1.00 0.00 H HETATM 75 3HB2 DIV A 5 -3.353 6.608 2.668 1.00 0.00 H HETATM 76 H DIV A 5 -1.217 7.149 1.344 1.00 0.00 H ATOM 77 N ILE A 6 -1.648 4.029 -0.077 1.00 0.00 N ATOM 78 CA ILE A 6 -1.390 2.958 -1.077 1.00 0.00 C ATOM 79 C ILE A 6 0.090 2.455 -1.104 1.00 0.00 C ATOM 80 O ILE A 6 0.280 1.249 -0.982 1.00 0.00 O ATOM 81 CB ILE A 6 -1.984 3.370 -2.480 1.00 0.00 C ATOM 82 CG1 ILE A 6 -3.525 3.641 -2.484 1.00 0.00 C ATOM 83 CG2 ILE A 6 -1.632 2.399 -3.638 1.00 0.00 C ATOM 84 CD1 ILE A 6 -4.441 2.463 -2.098 1.00 0.00 C ATOM 85 H ILE A 6 -2.051 4.917 -0.384 1.00 0.00 H ATOM 86 HA ILE A 6 -1.976 2.094 -0.731 1.00 0.00 H ATOM 87 HB ILE A 6 -1.510 4.331 -2.757 1.00 0.00 H ATOM 88 1HG1 ILE A 6 -3.752 4.483 -1.802 1.00 0.00 H ATOM 89 2HG1 ILE A 6 -3.831 4.017 -3.480 1.00 0.00 H ATOM 90 1HG2 ILE A 6 -1.981 1.369 -3.441 1.00 0.00 H ATOM 91 2HG2 ILE A 6 -2.075 2.720 -4.600 1.00 0.00 H ATOM 92 3HG2 ILE A 6 -0.543 2.343 -3.811 1.00 0.00 H ATOM 93 1HD1 ILE A 6 -4.272 2.137 -1.056 1.00 0.00 H ATOM 94 2HD1 ILE A 6 -5.504 2.743 -2.175 1.00 0.00 H ATOM 95 3HD1 ILE A 6 -4.292 1.588 -2.755 1.00 0.00 H ATOM 96 N THR A 7 1.115 3.319 -1.266 1.00 0.00 N ATOM 97 CA THR A 7 2.553 2.900 -1.360 1.00 0.00 C ATOM 98 C THR A 7 3.096 2.135 -0.104 1.00 0.00 C ATOM 99 O THR A 7 3.736 1.094 -0.267 1.00 0.00 O ATOM 100 CB THR A 7 3.430 4.130 -1.759 1.00 0.00 C ATOM 101 OG1 THR A 7 2.933 4.731 -2.953 1.00 0.00 O ATOM 102 CG2 THR A 7 4.921 3.837 -2.014 1.00 0.00 C ATOM 103 H THR A 7 0.835 4.305 -1.351 1.00 0.00 H ATOM 104 HA THR A 7 2.616 2.183 -2.202 1.00 0.00 H ATOM 105 HB THR A 7 3.371 4.883 -0.950 1.00 0.00 H ATOM 106 HG1 THR A 7 3.436 5.539 -3.069 1.00 0.00 H ATOM 107 1HG2 THR A 7 5.455 4.751 -2.334 1.00 0.00 H ATOM 108 2HG2 THR A 7 5.434 3.470 -1.106 1.00 0.00 H ATOM 109 3HG2 THR A 7 5.062 3.079 -2.807 1.00 0.00 H HETATM 110 N AIB A 8 2.801 2.618 1.124 1.00 0.00 N HETATM 111 CA AIB A 8 2.983 1.860 2.408 1.00 0.00 C HETATM 112 C AIB A 8 2.223 0.472 2.463 1.00 0.00 C HETATM 113 O1 AIB A 8 2.747 -0.504 3.013 1.00 0.00 O HETATM 114 CB1 AIB A 8 2.389 2.750 3.531 1.00 0.00 C HETATM 115 CB2 AIB A 8 4.506 1.722 2.712 1.00 0.00 C HETATM 116 1HB1 AIB A 8 1.306 2.929 3.392 1.00 0.00 H HETATM 117 2HB1 AIB A 8 2.502 2.289 4.531 1.00 0.00 H HETATM 118 3HB1 AIB A 8 2.871 3.745 3.587 1.00 0.00 H HETATM 119 1HB2 AIB A 8 5.028 2.700 2.707 1.00 0.00 H HETATM 120 2HB2 AIB A 8 4.695 1.267 3.702 1.00 0.00 H HETATM 121 3HB2 AIB A 8 5.025 1.082 1.973 1.00 0.00 H HETATM 122 H AIB A 8 2.124 3.382 1.062 1.00 0.00 H ATOM 123 N LEU A 9 0.992 0.381 1.898 1.00 0.00 N ATOM 124 CA LEU A 9 0.273 -0.894 1.688 1.00 0.00 C ATOM 125 C LEU A 9 0.742 -1.744 0.464 1.00 0.00 C ATOM 126 O LEU A 9 0.314 -2.896 0.399 1.00 0.00 O ATOM 127 CB LEU A 9 -1.252 -0.596 1.567 1.00 0.00 C ATOM 128 CG LEU A 9 -2.049 -0.309 2.871 1.00 0.00 C ATOM 129 CD1 LEU A 9 -3.458 0.214 2.526 1.00 0.00 C ATOM 130 CD2 LEU A 9 -2.180 -1.543 3.789 1.00 0.00 C ATOM 131 H LEU A 9 0.693 1.177 1.329 1.00 0.00 H ATOM 132 HA LEU A 9 0.430 -1.518 2.581 1.00 0.00 H ATOM 133 1HB LEU A 9 -1.392 0.241 0.854 1.00 0.00 H ATOM 134 2HB LEU A 9 -1.753 -1.437 1.058 1.00 0.00 H ATOM 135 HG LEU A 9 -1.532 0.485 3.438 1.00 0.00 H ATOM 136 1HD1 LEU A 9 -4.055 -0.533 1.968 1.00 0.00 H ATOM 137 2HD1 LEU A 9 -4.032 0.476 3.434 1.00 0.00 H ATOM 138 3HD1 LEU A 9 -3.415 1.126 1.904 1.00 0.00 H ATOM 139 1HD2 LEU A 9 -1.199 -1.893 4.160 1.00 0.00 H ATOM 140 2HD2 LEU A 9 -2.792 -1.322 4.686 1.00 0.00 H ATOM 141 3HD2 LEU A 9 -2.659 -2.399 3.274 1.00 0.00 H HETATM 142 N AIB A 10 1.572 -1.244 -0.493 1.00 0.00 N HETATM 143 CA AIB A 10 2.033 -2.010 -1.703 1.00 0.00 C HETATM 144 C AIB A 10 2.633 -3.458 -1.396 1.00 0.00 C HETATM 145 O1 AIB A 10 2.127 -4.429 -1.978 1.00 0.00 O HETATM 146 CB1 AIB A 10 3.077 -1.158 -2.474 1.00 0.00 C HETATM 147 CB2 AIB A 10 0.810 -2.070 -2.661 1.00 0.00 C HETATM 148 1HB1 AIB A 10 3.982 -0.936 -1.885 1.00 0.00 H HETATM 149 2HB1 AIB A 10 3.425 -1.663 -3.397 1.00 0.00 H HETATM 150 3HB1 AIB A 10 2.674 -0.176 -2.789 1.00 0.00 H HETATM 151 1HB2 AIB A 10 0.398 -1.066 -2.880 1.00 0.00 H HETATM 152 2HB2 AIB A 10 1.066 -2.537 -3.631 1.00 0.00 H HETATM 153 3HB2 AIB A 10 -0.010 -2.664 -2.224 1.00 0.00 H HETATM 154 H AIB A 10 1.862 -0.265 -0.328 1.00 0.00 H HETATM 155 N HPR A 11 3.636 -3.704 -0.485 1.00 0.00 N HETATM 156 CA HPR A 11 4.023 -5.086 -0.065 1.00 0.00 C HETATM 157 C HPR A 11 2.973 -5.908 0.755 1.00 0.00 C HETATM 158 O HPR A 11 3.065 -7.138 0.788 1.00 0.00 O HETATM 159 CB HPR A 11 5.314 -4.831 0.733 1.00 0.00 C HETATM 160 CG HPR A 11 5.133 -3.451 1.374 1.00 0.00 C HETATM 161 CD HPR A 11 4.207 -2.687 0.418 1.00 0.00 C HETATM 162 OD HPR A 11 6.384 -2.795 1.546 1.00 0.00 O HETATM 163 HA HPR A 11 4.281 -5.678 -0.963 1.00 0.00 H HETATM 164 1HB HPR A 11 5.536 -5.619 1.479 1.00 0.00 H HETATM 165 2HB HPR A 11 6.180 -4.821 0.042 1.00 0.00 H HETATM 166 1HD HPR A 11 3.406 -2.201 0.994 1.00 0.00 H HETATM 167 2HD HPR A 11 4.715 -1.887 -0.147 1.00 0.00 H HETATM 168 HOD HPR A 11 6.902 -3.366 2.118 1.00 0.00 H HETATM 169 HG HPR A 11 4.641 -3.562 2.358 1.00 0.00 H ATOM 170 N GLN A 12 1.989 -5.233 1.385 1.00 0.00 N ATOM 171 CA GLN A 12 0.808 -5.843 2.003 1.00 0.00 C ATOM 172 C GLN A 12 -0.458 -5.977 1.087 1.00 0.00 C ATOM 173 O GLN A 12 -1.495 -6.352 1.629 1.00 0.00 O ATOM 174 CB GLN A 12 0.494 -5.066 3.318 1.00 0.00 C ATOM 175 CG GLN A 12 1.555 -5.148 4.453 1.00 0.00 C ATOM 176 CD GLN A 12 2.261 -3.826 4.826 1.00 0.00 C ATOM 177 OE1 GLN A 12 1.708 -2.733 4.725 1.00 0.00 O ATOM 178 NE2 GLN A 12 3.492 -3.903 5.313 1.00 0.00 N ATOM 179 H GLN A 12 1.994 -4.229 1.279 1.00 0.00 H ATOM 180 HA GLN A 12 1.108 -6.847 2.293 1.00 0.00 H ATOM 181 1HB GLN A 12 0.232 -4.014 3.081 1.00 0.00 H ATOM 182 2HB GLN A 12 -0.442 -5.470 3.745 1.00 0.00 H ATOM 183 1HG GLN A 12 1.066 -5.534 5.368 1.00 0.00 H ATOM 184 2HG GLN A 12 2.307 -5.921 4.202 1.00 0.00 H ATOM 185 1HE2 GLN A 12 3.888 -4.841 5.424 1.00 0.00 H ATOM 186 2HE2 GLN A 12 3.929 -3.020 5.600 1.00 0.00 H HETATM 187 N AIB A 13 -0.429 -5.725 -0.253 1.00 0.00 N HETATM 188 CA AIB A 13 -1.446 -6.223 -1.243 1.00 0.00 C HETATM 189 C AIB A 13 -1.340 -7.802 -1.461 1.00 0.00 C HETATM 190 O1 AIB A 13 -2.376 -8.463 -1.328 1.00 0.00 O HETATM 191 CB1 AIB A 13 -1.177 -5.487 -2.585 1.00 0.00 C HETATM 192 CB2 AIB A 13 -2.894 -5.757 -0.879 1.00 0.00 C HETATM 193 1HB1 AIB A 13 -0.130 -5.553 -2.927 1.00 0.00 H HETATM 194 2HB1 AIB A 13 -1.801 -5.887 -3.411 1.00 0.00 H HETATM 195 3HB1 AIB A 13 -1.394 -4.404 -2.523 1.00 0.00 H HETATM 196 1HB2 AIB A 13 -2.947 -4.671 -0.681 1.00 0.00 H HETATM 197 2HB2 AIB A 13 -3.617 -5.976 -1.689 1.00 0.00 H HETATM 198 3HB2 AIB A 13 -3.291 -6.264 0.016 1.00 0.00 H HETATM 199 H AIB A 13 0.486 -5.399 -0.608 1.00 0.00 H HETATM 200 N HPR A 14 -0.176 -8.474 -1.779 1.00 0.00 N HETATM 201 CA HPR A 14 -0.113 -9.945 -2.028 1.00 0.00 C HETATM 202 C HPR A 14 -0.304 -10.878 -0.794 1.00 0.00 C HETATM 203 O HPR A 14 -1.043 -11.857 -0.912 1.00 0.00 O HETATM 204 CB HPR A 14 1.266 -10.131 -2.694 1.00 0.00 C HETATM 205 CG HPR A 14 2.117 -8.999 -2.112 1.00 0.00 C HETATM 206 CD HPR A 14 1.140 -7.835 -1.998 1.00 0.00 C HETATM 207 OD HPR A 14 3.214 -8.677 -2.955 1.00 0.00 O HETATM 208 HA HPR A 14 -0.884 -10.219 -2.776 1.00 0.00 H HETATM 209 1HB HPR A 14 1.718 -11.124 -2.515 1.00 0.00 H HETATM 210 2HB HPR A 14 1.171 -10.029 -3.791 1.00 0.00 H HETATM 211 1HD HPR A 14 1.442 -7.187 -1.167 1.00 0.00 H HETATM 212 2HD HPR A 14 1.136 -7.218 -2.911 1.00 0.00 H HETATM 213 HOD HPR A 14 2.835 -8.299 -3.752 1.00 0.00 H HETATM 214 HG HPR A 14 2.471 -9.276 -1.098 1.00 0.00 H HETATM 215 N AIB A 15 0.354 -10.600 0.363 1.00 0.00 N HETATM 216 CA AIB A 15 0.221 -11.381 1.636 1.00 0.00 C HETATM 217 C AIB A 15 -1.290 -11.668 2.072 1.00 0.00 C HETATM 218 O1 AIB A 15 -1.608 -12.841 2.299 1.00 0.00 O HETATM 219 CB1 AIB A 15 0.989 -10.592 2.735 1.00 0.00 C HETATM 220 CB2 AIB A 15 1.032 -12.701 1.453 1.00 0.00 C HETATM 221 1HB1 AIB A 15 0.649 -9.550 2.853 1.00 0.00 H HETATM 222 2HB1 AIB A 15 0.894 -11.070 3.728 1.00 0.00 H HETATM 223 3HB1 AIB A 15 2.074 -10.516 2.528 1.00 0.00 H HETATM 224 1HB2 AIB A 15 2.075 -12.520 1.129 1.00 0.00 H HETATM 225 2HB2 AIB A 15 1.087 -13.286 2.392 1.00 0.00 H HETATM 226 3HB2 AIB A 15 0.574 -13.366 0.697 1.00 0.00 H HETATM 227 H AIB A 15 0.915 -9.741 0.324 1.00 0.00 H ATOM 228 N PRO A 16 -2.273 -10.711 2.138 1.00 0.00 N ATOM 229 CA PRO A 16 -3.720 -11.032 2.280 1.00 0.00 C ATOM 230 C PRO A 16 -4.460 -11.491 0.979 1.00 0.00 C ATOM 231 O PRO A 16 -5.298 -12.392 1.076 1.00 0.00 O ATOM 232 CB PRO A 16 -4.287 -9.721 2.861 1.00 0.00 C ATOM 233 CG PRO A 16 -3.418 -8.618 2.260 1.00 0.00 C ATOM 234 CD PRO A 16 -2.035 -9.258 2.095 1.00 0.00 C ATOM 235 HA PRO A 16 -3.853 -11.826 3.044 1.00 0.00 H ATOM 236 1HB PRO A 16 -5.362 -9.566 2.650 1.00 0.00 H ATOM 237 2HB PRO A 16 -4.181 -9.715 3.964 1.00 0.00 H ATOM 238 1HG PRO A 16 -3.819 -8.315 1.273 1.00 0.00 H ATOM 239 2HG PRO A 16 -3.396 -7.712 2.892 1.00 0.00 H ATOM 240 1HD PRO A 16 -1.580 -8.944 1.142 1.00 0.00 H ATOM 241 2HD PRO A 16 -1.357 -8.932 2.898 1.00 0.00 H HETATM 242 N PHL A 17 -4.206 -10.863 -0.196 1.00 0.00 N HETATM 243 CA PHL A 17 -4.974 -11.128 -1.441 1.00 0.00 C HETATM 244 C PHL A 17 -3.970 -11.258 -2.607 1.00 0.00 C HETATM 245 O PHL A 17 -4.623 -11.663 -3.804 1.00 0.00 O HETATM 246 CB PHL A 17 -6.027 -10.003 -1.680 1.00 0.00 C HETATM 247 CG PHL A 17 -7.221 -10.010 -0.702 1.00 0.00 C HETATM 248 CD1 PHL A 17 -7.282 -9.098 0.357 1.00 0.00 C HETATM 249 CD2 PHL A 17 -8.244 -10.957 -0.849 1.00 0.00 C HETATM 250 CE1 PHL A 17 -8.343 -9.136 1.259 1.00 0.00 C HETATM 251 CE2 PHL A 17 -9.305 -10.990 0.053 1.00 0.00 C HETATM 252 CZ PHL A 17 -9.357 -10.079 1.104 1.00 0.00 C HETATM 253 H1 PHL A 17 -3.198 -12.014 -2.367 1.00 0.00 H HETATM 254 H2 PHL A 17 -3.424 -10.314 -2.790 1.00 0.00 H HETATM 255 HO PHL A 17 -5.215 -10.944 -4.038 1.00 0.00 H HETATM 256 HA PHL A 17 -5.506 -12.099 -1.380 1.00 0.00 H HETATM 257 1HB PHL A 17 -5.529 -9.013 -1.682 1.00 0.00 H HETATM 258 2HB PHL A 17 -6.431 -10.095 -2.705 1.00 0.00 H HETATM 259 HD1 PHL A 17 -6.497 -8.367 0.498 1.00 0.00 H HETATM 260 HD2 PHL A 17 -8.212 -11.677 -1.653 1.00 0.00 H HETATM 261 HE1 PHL A 17 -8.381 -8.436 2.081 1.00 0.00 H HETATM 262 HE2 PHL A 17 -10.086 -11.728 -0.061 1.00 0.00 H HETATM 263 HZ PHL A 17 -10.181 -10.106 1.802 1.00 0.00 H HETATM 264 H PHL A 17 -3.524 -10.095 -0.151 1.00 0.00 H TER 265 PHL A 17 HETATM 266 C ACE A 1 -2.278 10.672 0.664 1.00 0.00 C HETATM 267 O ACE A 1 -1.671 9.850 1.356 1.00 0.00 O HETATM 268 CH3 ACE A 1 -1.774 12.102 0.542 1.00 0.00 C HETATM 269 H1 ACE A 1 -1.448 12.309 -0.494 1.00 0.00 H HETATM 270 H2 ACE A 1 -2.554 12.834 0.812 1.00 0.00 H HETATM 271 H3 ACE A 1 -0.900 12.268 1.196 1.00 0.00 H ENDMDL MODEL 18 ATOM 1 N TRP A 2 -3.253 10.294 0.327 1.00 0.00 N ATOM 2 CA TRP A 2 -3.747 9.145 -0.476 1.00 0.00 C ATOM 3 C TRP A 2 -2.622 8.327 -1.202 1.00 0.00 C ATOM 4 O TRP A 2 -2.751 7.105 -1.301 1.00 0.00 O ATOM 5 CB TRP A 2 -4.859 9.652 -1.437 1.00 0.00 C ATOM 6 CG TRP A 2 -5.512 8.572 -2.317 1.00 0.00 C ATOM 7 CD1 TRP A 2 -6.216 7.437 -1.855 1.00 0.00 C ATOM 8 CD2 TRP A 2 -5.445 8.431 -3.694 1.00 0.00 C ATOM 9 NE1 TRP A 2 -6.583 6.584 -2.912 1.00 0.00 N ATOM 10 CE2 TRP A 2 -6.098 7.222 -4.043 1.00 0.00 C ATOM 11 CE3 TRP A 2 -4.855 9.244 -4.696 1.00 0.00 C ATOM 12 CZ2 TRP A 2 -6.167 6.818 -5.398 1.00 0.00 C ATOM 13 CZ3 TRP A 2 -4.944 8.830 -6.026 1.00 0.00 C ATOM 14 CH2 TRP A 2 -5.588 7.635 -6.371 1.00 0.00 C ATOM 15 H TRP A 2 -3.370 11.253 -0.005 1.00 0.00 H ATOM 16 HA TRP A 2 -4.242 8.467 0.238 1.00 0.00 H ATOM 17 1HB TRP A 2 -5.664 10.138 -0.851 1.00 0.00 H ATOM 18 2HB TRP A 2 -4.460 10.461 -2.079 1.00 0.00 H ATOM 19 HD1 TRP A 2 -6.406 7.220 -0.815 1.00 0.00 H ATOM 20 HE1 TRP A 2 -7.074 5.686 -2.855 1.00 0.00 H ATOM 21 HE3 TRP A 2 -4.350 10.167 -4.446 1.00 0.00 H ATOM 22 HZ2 TRP A 2 -6.654 5.896 -5.677 1.00 0.00 H ATOM 23 HZ3 TRP A 2 -4.507 9.442 -6.802 1.00 0.00 H ATOM 24 HH2 TRP A 2 -5.640 7.342 -7.410 1.00 0.00 H ATOM 25 N ILE A 3 -1.546 8.972 -1.702 1.00 0.00 N ATOM 26 CA ILE A 3 -0.400 8.266 -2.344 1.00 0.00 C ATOM 27 C ILE A 3 0.448 7.400 -1.361 1.00 0.00 C ATOM 28 O ILE A 3 0.801 6.280 -1.732 1.00 0.00 O ATOM 29 CB ILE A 3 0.416 9.223 -3.289 1.00 0.00 C ATOM 30 CG1 ILE A 3 -0.433 9.919 -4.404 1.00 0.00 C ATOM 31 CG2 ILE A 3 1.666 8.567 -3.935 1.00 0.00 C ATOM 32 CD1 ILE A 3 -1.175 9.003 -5.395 1.00 0.00 C ATOM 33 H ILE A 3 -1.545 9.987 -1.552 1.00 0.00 H ATOM 34 HA ILE A 3 -0.866 7.517 -2.991 1.00 0.00 H ATOM 35 HB ILE A 3 0.807 10.035 -2.649 1.00 0.00 H ATOM 36 1HG1 ILE A 3 -1.180 10.581 -3.927 1.00 0.00 H ATOM 37 2HG1 ILE A 3 0.211 10.610 -4.979 1.00 0.00 H ATOM 38 1HG2 ILE A 3 1.406 7.684 -4.547 1.00 0.00 H ATOM 39 2HG2 ILE A 3 2.213 9.272 -4.587 1.00 0.00 H ATOM 40 3HG2 ILE A 3 2.392 8.231 -3.171 1.00 0.00 H ATOM 41 1HD1 ILE A 3 -1.909 8.352 -4.887 1.00 0.00 H ATOM 42 2HD1 ILE A 3 -1.736 9.598 -6.139 1.00 0.00 H ATOM 43 3HD1 ILE A 3 -0.482 8.348 -5.956 1.00 0.00 H ATOM 44 N GLN A 4 0.753 7.873 -0.141 1.00 0.00 N ATOM 45 CA GLN A 4 1.365 7.023 0.918 1.00 0.00 C ATOM 46 C GLN A 4 0.420 6.010 1.626 1.00 0.00 C ATOM 47 O GLN A 4 0.928 4.973 2.054 1.00 0.00 O ATOM 48 CB GLN A 4 2.163 7.860 1.950 1.00 0.00 C ATOM 49 CG GLN A 4 3.487 8.470 1.429 1.00 0.00 C ATOM 50 CD GLN A 4 4.561 7.448 1.000 1.00 0.00 C ATOM 51 OE1 GLN A 4 4.951 6.563 1.760 1.00 0.00 O ATOM 52 NE2 GLN A 4 5.060 7.548 -0.224 1.00 0.00 N ATOM 53 H GLN A 4 0.343 8.788 0.048 1.00 0.00 H ATOM 54 HA GLN A 4 2.110 6.389 0.408 1.00 0.00 H ATOM 55 1HB GLN A 4 1.522 8.664 2.358 1.00 0.00 H ATOM 56 2HB GLN A 4 2.409 7.234 2.830 1.00 0.00 H ATOM 57 1HG GLN A 4 3.255 9.177 0.609 1.00 0.00 H ATOM 58 2HG GLN A 4 3.918 9.086 2.237 1.00 0.00 H ATOM 59 1HE2 GLN A 4 4.692 8.304 -0.810 1.00 0.00 H ATOM 60 2HE2 GLN A 4 5.787 6.871 -0.478 1.00 0.00 H HETATM 61 N DIV A 5 -0.917 6.237 1.717 1.00 0.00 N HETATM 62 CA DIV A 5 -1.938 5.178 2.042 1.00 0.00 C HETATM 63 CB1 DIV A 5 -1.842 4.846 3.580 1.00 0.00 C HETATM 64 CG1 DIV A 5 -2.910 3.920 4.203 1.00 0.00 C HETATM 65 CB2 DIV A 5 -3.333 5.822 1.789 1.00 0.00 C HETATM 66 C DIV A 5 -1.756 3.917 1.096 1.00 0.00 C HETATM 67 O DIV A 5 -1.523 2.809 1.584 1.00 0.00 O HETATM 68 1HB1 DIV A 5 -0.855 4.398 3.796 1.00 0.00 H HETATM 69 2HB1 DIV A 5 -1.850 5.786 4.164 1.00 0.00 H HETATM 70 1HG1 DIV A 5 -3.011 2.966 3.659 1.00 0.00 H HETATM 71 2HG1 DIV A 5 -2.658 3.673 5.250 1.00 0.00 H HETATM 72 3HG1 DIV A 5 -3.907 4.395 4.217 1.00 0.00 H HETATM 73 1HB2 DIV A 5 -3.494 6.108 0.738 1.00 0.00 H HETATM 74 2HB2 DIV A 5 -4.160 5.126 2.025 1.00 0.00 H HETATM 75 3HB2 DIV A 5 -3.501 6.731 2.396 1.00 0.00 H HETATM 76 H DIV A 5 -1.196 7.150 1.343 1.00 0.00 H ATOM 77 N ILE A 6 -1.768 4.089 -0.253 1.00 0.00 N ATOM 78 CA ILE A 6 -1.500 2.993 -1.222 1.00 0.00 C ATOM 79 C ILE A 6 -0.028 2.471 -1.237 1.00 0.00 C ATOM 80 O ILE A 6 0.150 1.261 -1.131 1.00 0.00 O ATOM 81 CB ILE A 6 -2.109 3.247 -2.649 1.00 0.00 C ATOM 82 CG1 ILE A 6 -1.539 4.495 -3.388 1.00 0.00 C ATOM 83 CG2 ILE A 6 -3.660 3.261 -2.615 1.00 0.00 C ATOM 84 CD1 ILE A 6 -1.859 4.605 -4.886 1.00 0.00 C ATOM 85 H ILE A 6 -2.051 5.010 -0.594 1.00 0.00 H ATOM 86 HA ILE A 6 -2.071 2.145 -0.822 1.00 0.00 H ATOM 87 HB ILE A 6 -1.836 2.363 -3.258 1.00 0.00 H ATOM 88 1HG1 ILE A 6 -1.879 5.415 -2.887 1.00 0.00 H ATOM 89 2HG1 ILE A 6 -0.439 4.508 -3.298 1.00 0.00 H ATOM 90 1HG2 ILE A 6 -4.057 4.138 -2.072 1.00 0.00 H ATOM 91 2HG2 ILE A 6 -4.097 3.280 -3.628 1.00 0.00 H ATOM 92 3HG2 ILE A 6 -4.066 2.360 -2.119 1.00 0.00 H ATOM 93 1HD1 ILE A 6 -2.943 4.724 -5.071 1.00 0.00 H ATOM 94 2HD1 ILE A 6 -1.357 5.485 -5.327 1.00 0.00 H ATOM 95 3HD1 ILE A 6 -1.512 3.713 -5.440 1.00 0.00 H ATOM 96 N THR A 7 1.010 3.332 -1.335 1.00 0.00 N ATOM 97 CA THR A 7 2.442 2.901 -1.445 1.00 0.00 C ATOM 98 C THR A 7 2.981 2.096 -0.210 1.00 0.00 C ATOM 99 O THR A 7 3.613 1.057 -0.410 1.00 0.00 O ATOM 100 CB THR A 7 3.344 4.116 -1.837 1.00 0.00 C ATOM 101 OG1 THR A 7 2.847 4.738 -3.021 1.00 0.00 O ATOM 102 CG2 THR A 7 4.817 3.773 -2.127 1.00 0.00 C ATOM 103 H THR A 7 0.739 4.319 -1.403 1.00 0.00 H ATOM 104 HA THR A 7 2.486 2.206 -2.307 1.00 0.00 H ATOM 105 HB THR A 7 3.320 4.864 -1.023 1.00 0.00 H ATOM 106 HG1 THR A 7 3.407 5.504 -3.173 1.00 0.00 H ATOM 107 1HG2 THR A 7 5.381 4.668 -2.448 1.00 0.00 H ATOM 108 2HG2 THR A 7 5.331 3.372 -1.236 1.00 0.00 H ATOM 109 3HG2 THR A 7 4.910 3.017 -2.931 1.00 0.00 H HETATM 110 N AIB A 8 2.701 2.542 1.037 1.00 0.00 N HETATM 111 CA AIB A 8 2.875 1.727 2.291 1.00 0.00 C HETATM 112 C AIB A 8 2.076 0.363 2.307 1.00 0.00 C HETATM 113 O1 AIB A 8 2.553 -0.633 2.861 1.00 0.00 O HETATM 114 CB1 AIB A 8 2.323 2.578 3.465 1.00 0.00 C HETATM 115 CB2 AIB A 8 4.396 1.526 2.571 1.00 0.00 C HETATM 116 1HB1 AIB A 8 1.235 2.766 3.372 1.00 0.00 H HETATM 117 2HB1 AIB A 8 2.464 2.079 4.443 1.00 0.00 H HETATM 118 3HB1 AIB A 8 2.811 3.568 3.545 1.00 0.00 H HETATM 119 1HB2 AIB A 8 4.957 2.480 2.560 1.00 0.00 H HETATM 120 2HB2 AIB A 8 4.583 1.060 3.558 1.00 0.00 H HETATM 121 3HB2 AIB A 8 4.876 0.866 1.823 1.00 0.00 H HETATM 122 H AIB A 8 2.028 3.309 1.006 1.00 0.00 H ATOM 123 N LEU A 9 0.860 0.316 1.711 1.00 0.00 N ATOM 124 CA LEU A 9 0.123 -0.940 1.456 1.00 0.00 C ATOM 125 C LEU A 9 0.627 -1.785 0.248 1.00 0.00 C ATOM 126 O LEU A 9 0.228 -2.947 0.191 1.00 0.00 O ATOM 127 CB LEU A 9 -1.389 -0.607 1.317 1.00 0.00 C ATOM 128 CG LEU A 9 -2.266 -0.596 2.601 1.00 0.00 C ATOM 129 CD1 LEU A 9 -2.658 -2.021 3.047 1.00 0.00 C ATOM 130 CD2 LEU A 9 -1.715 0.199 3.801 1.00 0.00 C ATOM 131 H LEU A 9 0.551 1.151 1.204 1.00 0.00 H ATOM 132 HA LEU A 9 0.223 -1.580 2.344 1.00 0.00 H ATOM 133 1HB LEU A 9 -1.524 0.353 0.784 1.00 0.00 H ATOM 134 2HB LEU A 9 -1.858 -1.328 0.622 1.00 0.00 H ATOM 135 HG LEU A 9 -3.192 -0.080 2.294 1.00 0.00 H ATOM 136 1HD1 LEU A 9 -1.787 -2.599 3.412 1.00 0.00 H ATOM 137 2HD1 LEU A 9 -3.405 -2.004 3.862 1.00 0.00 H ATOM 138 3HD1 LEU A 9 -3.110 -2.602 2.219 1.00 0.00 H ATOM 139 1HD2 LEU A 9 -1.416 1.223 3.521 1.00 0.00 H ATOM 140 2HD2 LEU A 9 -2.474 0.296 4.598 1.00 0.00 H ATOM 141 3HD2 LEU A 9 -0.826 -0.282 4.251 1.00 0.00 H HETATM 142 N AIB A 10 1.461 -1.272 -0.700 1.00 0.00 N HETATM 143 CA AIB A 10 1.979 -2.051 -1.879 1.00 0.00 C HETATM 144 C AIB A 10 2.618 -3.471 -1.526 1.00 0.00 C HETATM 145 O1 AIB A 10 2.141 -4.475 -2.073 1.00 0.00 O HETATM 146 CB1 AIB A 10 3.010 -1.178 -2.644 1.00 0.00 C HETATM 147 CB2 AIB A 10 0.781 -2.183 -2.864 1.00 0.00 C HETATM 148 1HB1 AIB A 10 3.890 -0.907 -2.039 1.00 0.00 H HETATM 149 2HB1 AIB A 10 3.406 -1.700 -3.537 1.00 0.00 H HETATM 150 3HB1 AIB A 10 2.581 -0.221 -3.000 1.00 0.00 H HETATM 151 1HB2 AIB A 10 0.338 -1.203 -3.128 1.00 0.00 H HETATM 152 2HB2 AIB A 10 1.078 -2.677 -3.808 1.00 0.00 H HETATM 153 3HB2 AIB A 10 -0.030 -2.792 -2.425 1.00 0.00 H HETATM 154 H AIB A 10 1.736 -0.290 -0.518 1.00 0.00 H HETATM 155 N HPR A 11 3.626 -3.660 -0.608 1.00 0.00 N HETATM 156 CA HPR A 11 4.044 -5.015 -0.136 1.00 0.00 C HETATM 157 C HPR A 11 3.003 -5.825 0.714 1.00 0.00 C HETATM 158 O HPR A 11 3.131 -7.048 0.814 1.00 0.00 O HETATM 159 CB HPR A 11 5.323 -4.694 0.658 1.00 0.00 C HETATM 160 CG HPR A 11 5.083 -3.310 1.267 1.00 0.00 C HETATM 161 CD HPR A 11 4.150 -2.601 0.275 1.00 0.00 C HETATM 162 OD HPR A 11 6.306 -2.604 1.440 1.00 0.00 O HETATM 163 HA HPR A 11 4.322 -5.640 -1.008 1.00 0.00 H HETATM 164 1HB HPR A 11 5.566 -5.454 1.425 1.00 0.00 H HETATM 165 2HB HPR A 11 6.191 -4.664 -0.029 1.00 0.00 H HETATM 166 1HD HPR A 11 3.326 -2.124 0.827 1.00 0.00 H HETATM 167 2HD HPR A 11 4.647 -1.806 -0.299 1.00 0.00 H HETATM 168 HOD HPR A 11 6.851 -3.158 2.005 1.00 0.00 H HETATM 169 HG HPR A 11 4.575 -3.418 2.245 1.00 0.00 H ATOM 170 N GLN A 12 1.988 -5.152 1.294 1.00 0.00 N ATOM 171 CA GLN A 12 0.824 -5.764 1.944 1.00 0.00 C ATOM 172 C GLN A 12 -0.431 -5.988 1.029 1.00 0.00 C ATOM 173 O GLN A 12 -1.450 -6.390 1.588 1.00 0.00 O ATOM 174 CB GLN A 12 0.468 -4.910 3.198 1.00 0.00 C ATOM 175 CG GLN A 12 1.523 -4.892 4.331 1.00 0.00 C ATOM 176 CD GLN A 12 1.116 -3.986 5.504 1.00 0.00 C ATOM 177 OE1 GLN A 12 0.394 -4.399 6.409 1.00 0.00 O ATOM 178 NE2 GLN A 12 1.559 -2.737 5.510 1.00 0.00 N ATOM 179 H GLN A 12 1.972 -4.150 1.157 1.00 0.00 H ATOM 180 HA GLN A 12 1.152 -6.736 2.303 1.00 0.00 H ATOM 181 1HB GLN A 12 0.240 -3.873 2.883 1.00 0.00 H ATOM 182 2HB GLN A 12 -0.475 -5.284 3.641 1.00 0.00 H ATOM 183 1HG GLN A 12 1.672 -5.921 4.713 1.00 0.00 H ATOM 184 2HG GLN A 12 2.511 -4.587 3.937 1.00 0.00 H ATOM 185 1HE2 GLN A 12 2.168 -2.460 4.731 1.00 0.00 H ATOM 186 2HE2 GLN A 12 1.285 -2.157 6.310 1.00 0.00 H HETATM 187 N AIB A 13 -0.410 -5.781 -0.321 1.00 0.00 N HETATM 188 CA AIB A 13 -1.413 -6.350 -1.285 1.00 0.00 C HETATM 189 C AIB A 13 -1.260 -7.932 -1.438 1.00 0.00 C HETATM 190 O1 AIB A 13 -2.283 -8.614 -1.305 1.00 0.00 O HETATM 191 CB1 AIB A 13 -1.155 -5.663 -2.656 1.00 0.00 C HETATM 192 CB2 AIB A 13 -2.875 -5.910 -0.937 1.00 0.00 C HETATM 193 1HB1 AIB A 13 -0.114 -5.750 -3.005 1.00 0.00 H HETATM 194 2HB1 AIB A 13 -1.790 -6.087 -3.460 1.00 0.00 H HETATM 195 3HB1 AIB A 13 -1.366 -4.576 -2.633 1.00 0.00 H HETATM 196 1HB2 AIB A 13 -2.965 -4.817 -0.778 1.00 0.00 H HETATM 197 2HB2 AIB A 13 -3.597 -6.178 -1.731 1.00 0.00 H HETATM 198 3HB2 AIB A 13 -3.257 -6.392 -0.021 1.00 0.00 H HETATM 199 H AIB A 13 0.496 -5.437 -0.688 1.00 0.00 H HETATM 200 N HPR A 14 -0.073 -8.589 -1.697 1.00 0.00 N HETATM 201 CA HPR A 14 0.036 -10.068 -1.873 1.00 0.00 C HETATM 202 C HPR A 14 -0.188 -10.948 -0.606 1.00 0.00 C HETATM 203 O HPR A 14 -0.906 -11.945 -0.711 1.00 0.00 O HETATM 204 CB HPR A 14 1.445 -10.250 -2.474 1.00 0.00 C HETATM 205 CG HPR A 14 2.242 -9.069 -1.923 1.00 0.00 C HETATM 206 CD HPR A 14 1.231 -7.927 -1.917 1.00 0.00 C HETATM 207 OD HPR A 14 3.368 -8.763 -2.734 1.00 0.00 O HETATM 208 HA HPR A 14 -0.697 -10.390 -2.639 1.00 0.00 H HETATM 209 1HB HPR A 14 1.916 -11.221 -2.225 1.00 0.00 H HETATM 210 2HB HPR A 14 1.395 -10.202 -3.579 1.00 0.00 H HETATM 211 1HD HPR A 14 1.499 -7.217 -1.122 1.00 0.00 H HETATM 212 2HD HPR A 14 1.239 -7.366 -2.866 1.00 0.00 H HETATM 213 HOD HPR A 14 3.012 -8.443 -3.567 1.00 0.00 H HETATM 214 HG HPR A 14 2.558 -9.278 -0.878 1.00 0.00 H HETATM 215 N AIB A 15 0.420 -10.609 0.561 1.00 0.00 N HETATM 216 CA AIB A 15 0.265 -11.350 1.855 1.00 0.00 C HETATM 217 C AIB A 15 -1.254 -11.644 2.261 1.00 0.00 C HETATM 218 O1 AIB A 15 -1.569 -12.816 2.502 1.00 0.00 O HETATM 219 CB1 AIB A 15 1.001 -10.515 2.939 1.00 0.00 C HETATM 220 CB2 AIB A 15 1.096 -12.667 1.740 1.00 0.00 C HETATM 221 1HB1 AIB A 15 0.647 -9.473 3.014 1.00 0.00 H HETATM 222 2HB1 AIB A 15 0.896 -10.959 3.948 1.00 0.00 H HETATM 223 3HB1 AIB A 15 2.089 -10.430 2.747 1.00 0.00 H HETATM 224 1HB2 AIB A 15 2.142 -12.488 1.419 1.00 0.00 H HETATM 225 2HB2 AIB A 15 1.147 -13.209 2.703 1.00 0.00 H HETATM 226 3HB2 AIB A 15 0.658 -13.372 1.008 1.00 0.00 H HETATM 227 H AIB A 15 0.964 -9.741 0.513 1.00 0.00 H ATOM 228 N PRO A 16 -2.247 -10.695 2.288 1.00 0.00 N ATOM 229 CA PRO A 16 -3.695 -11.025 2.402 1.00 0.00 C ATOM 230 C PRO A 16 -4.395 -11.537 1.097 1.00 0.00 C ATOM 231 O PRO A 16 -5.231 -12.439 1.205 1.00 0.00 O ATOM 232 CB PRO A 16 -4.293 -9.701 2.920 1.00 0.00 C ATOM 233 CG PRO A 16 -3.408 -8.607 2.329 1.00 0.00 C ATOM 234 CD PRO A 16 -2.020 -9.241 2.209 1.00 0.00 C ATOM 235 HA PRO A 16 -3.840 -11.792 3.189 1.00 0.00 H ATOM 236 1HB PRO A 16 -5.359 -9.561 2.658 1.00 0.00 H ATOM 237 2HB PRO A 16 -4.236 -9.667 4.024 1.00 0.00 H ATOM 238 1HG PRO A 16 -3.781 -8.317 1.329 1.00 0.00 H ATOM 239 2HG PRO A 16 -3.404 -7.691 2.950 1.00 0.00 H ATOM 240 1HD PRO A 16 -1.546 -8.952 1.258 1.00 0.00 H ATOM 241 2HD PRO A 16 -1.364 -8.890 3.020 1.00 0.00 H HETATM 242 N PHL A 17 -4.112 -10.953 -0.092 1.00 0.00 N HETATM 243 CA PHL A 17 -4.878 -11.235 -1.339 1.00 0.00 C HETATM 244 C PHL A 17 -3.905 -11.585 -2.488 1.00 0.00 C HETATM 245 O PHL A 17 -3.219 -12.805 -2.228 1.00 0.00 O HETATM 246 CB PHL A 17 -5.776 -10.021 -1.723 1.00 0.00 C HETATM 247 CG PHL A 17 -6.904 -9.691 -0.724 1.00 0.00 C HETATM 248 CD1 PHL A 17 -8.003 -10.550 -0.589 1.00 0.00 C HETATM 249 CD2 PHL A 17 -6.823 -8.555 0.093 1.00 0.00 C HETATM 250 CE1 PHL A 17 -8.991 -10.286 0.356 1.00 0.00 C HETATM 251 CE2 PHL A 17 -7.812 -8.291 1.033 1.00 0.00 C HETATM 252 CZ PHL A 17 -8.898 -9.158 1.166 1.00 0.00 C HETATM 253 H1 PHL A 17 -3.172 -10.775 -2.662 1.00 0.00 H HETATM 254 H2 PHL A 17 -4.461 -11.698 -3.435 1.00 0.00 H HETATM 255 HO PHL A 17 -3.893 -13.486 -2.176 1.00 0.00 H HETATM 256 HA PHL A 17 -5.538 -12.118 -1.211 1.00 0.00 H HETATM 257 1HB PHL A 17 -5.142 -9.127 -1.900 1.00 0.00 H HETATM 258 2HB PHL A 17 -6.244 -10.216 -2.707 1.00 0.00 H HETATM 259 HD1 PHL A 17 -8.083 -11.437 -1.202 1.00 0.00 H HETATM 260 HD2 PHL A 17 -5.981 -7.881 0.012 1.00 0.00 H HETATM 261 HE1 PHL A 17 -9.828 -10.962 0.466 1.00 0.00 H HETATM 262 HE2 PHL A 17 -7.740 -7.421 1.669 1.00 0.00 H HETATM 263 HZ PHL A 17 -9.663 -8.956 1.902 1.00 0.00 H HETATM 264 H PHL A 17 -3.404 -10.209 -0.055 1.00 0.00 H TER 265 PHL A 17 HETATM 266 C ACE A 1 -2.450 10.142 1.391 1.00 0.00 C HETATM 267 O ACE A 1 -2.276 9.073 1.980 1.00 0.00 O HETATM 268 CH3 ACE A 1 -1.648 11.378 1.774 1.00 0.00 C HETATM 269 H1 ACE A 1 -2.298 12.253 1.950 1.00 0.00 H HETATM 270 H2 ACE A 1 -1.055 11.196 2.688 1.00 0.00 H HETATM 271 H3 ACE A 1 -0.930 11.634 0.970 1.00 0.00 H ENDMDL MODEL 19 ATOM 1 N TRP A 2 -3.029 10.657 -0.319 1.00 0.00 N ATOM 2 CA TRP A 2 -3.590 9.300 -0.570 1.00 0.00 C ATOM 3 C TRP A 2 -2.603 8.289 -1.251 1.00 0.00 C ATOM 4 O TRP A 2 -2.680 7.097 -0.960 1.00 0.00 O ATOM 5 CB TRP A 2 -5.000 9.372 -1.222 1.00 0.00 C ATOM 6 CG TRP A 2 -5.093 9.501 -2.752 1.00 0.00 C ATOM 7 CD1 TRP A 2 -4.715 10.618 -3.527 1.00 0.00 C ATOM 8 CD2 TRP A 2 -5.569 8.564 -3.659 1.00 0.00 C ATOM 9 NE1 TRP A 2 -4.935 10.400 -4.901 1.00 0.00 N ATOM 10 CE2 TRP A 2 -5.471 9.122 -4.958 1.00 0.00 C ATOM 11 CE3 TRP A 2 -6.100 7.259 -3.475 1.00 0.00 C ATOM 12 CZ2 TRP A 2 -5.911 8.382 -6.084 1.00 0.00 C ATOM 13 CZ3 TRP A 2 -6.525 6.550 -4.599 1.00 0.00 C ATOM 14 CH2 TRP A 2 -6.434 7.102 -5.882 1.00 0.00 C ATOM 15 H TRP A 2 -3.273 11.446 -0.921 1.00 0.00 H ATOM 16 HA TRP A 2 -3.788 8.896 0.438 1.00 0.00 H ATOM 17 1HB TRP A 2 -5.549 8.459 -0.918 1.00 0.00 H ATOM 18 2HB TRP A 2 -5.593 10.184 -0.760 1.00 0.00 H ATOM 19 HD1 TRP A 2 -4.310 11.532 -3.122 1.00 0.00 H ATOM 20 HE1 TRP A 2 -4.767 11.048 -5.678 1.00 0.00 H ATOM 21 HE3 TRP A 2 -6.183 6.818 -2.492 1.00 0.00 H ATOM 22 HZ2 TRP A 2 -5.847 8.795 -7.079 1.00 0.00 H ATOM 23 HZ3 TRP A 2 -6.934 5.557 -4.476 1.00 0.00 H ATOM 24 HH2 TRP A 2 -6.773 6.529 -6.731 1.00 0.00 H ATOM 25 N ILE A 3 -1.653 8.758 -2.093 1.00 0.00 N ATOM 26 CA ILE A 3 -0.474 7.957 -2.543 1.00 0.00 C ATOM 27 C ILE A 3 0.454 7.355 -1.430 1.00 0.00 C ATOM 28 O ILE A 3 1.066 6.314 -1.668 1.00 0.00 O ATOM 29 CB ILE A 3 0.362 8.700 -3.648 1.00 0.00 C ATOM 30 CG1 ILE A 3 0.986 10.056 -3.193 1.00 0.00 C ATOM 31 CG2 ILE A 3 -0.437 8.849 -4.967 1.00 0.00 C ATOM 32 CD1 ILE A 3 2.129 10.581 -4.078 1.00 0.00 C ATOM 33 H ILE A 3 -1.717 9.764 -2.285 1.00 0.00 H ATOM 34 HA ILE A 3 -0.912 7.068 -3.023 1.00 0.00 H ATOM 35 HB ILE A 3 1.206 8.029 -3.897 1.00 0.00 H ATOM 36 1HG1 ILE A 3 0.201 10.834 -3.114 1.00 0.00 H ATOM 37 2HG1 ILE A 3 1.388 9.957 -2.168 1.00 0.00 H ATOM 38 1HG2 ILE A 3 -1.296 9.537 -4.859 1.00 0.00 H ATOM 39 2HG2 ILE A 3 0.193 9.236 -5.788 1.00 0.00 H ATOM 40 3HG2 ILE A 3 -0.836 7.875 -5.310 1.00 0.00 H ATOM 41 1HD1 ILE A 3 1.788 10.817 -5.101 1.00 0.00 H ATOM 42 2HD1 ILE A 3 2.563 11.507 -3.659 1.00 0.00 H ATOM 43 3HD1 ILE A 3 2.950 9.845 -4.159 1.00 0.00 H ATOM 44 N GLN A 4 0.553 7.985 -0.244 1.00 0.00 N ATOM 45 CA GLN A 4 1.288 7.436 0.928 1.00 0.00 C ATOM 46 C GLN A 4 0.566 6.265 1.655 1.00 0.00 C ATOM 47 O GLN A 4 1.217 5.251 1.913 1.00 0.00 O ATOM 48 CB GLN A 4 1.677 8.585 1.894 1.00 0.00 C ATOM 49 CG GLN A 4 2.883 9.406 1.387 1.00 0.00 C ATOM 50 CD GLN A 4 3.227 10.664 2.210 1.00 0.00 C ATOM 51 OE1 GLN A 4 2.697 10.925 3.290 1.00 0.00 O ATOM 52 NE2 GLN A 4 4.142 11.475 1.704 1.00 0.00 N ATOM 53 H GLN A 4 -0.011 8.836 -0.176 1.00 0.00 H ATOM 54 HA GLN A 4 2.230 7.009 0.546 1.00 0.00 H ATOM 55 1HB GLN A 4 0.805 9.244 2.077 1.00 0.00 H ATOM 56 2HB GLN A 4 1.934 8.177 2.893 1.00 0.00 H ATOM 57 1HG GLN A 4 3.764 8.736 1.353 1.00 0.00 H ATOM 58 2HG GLN A 4 2.694 9.694 0.336 1.00 0.00 H ATOM 59 1HE2 GLN A 4 4.549 11.210 0.801 1.00 0.00 H ATOM 60 2HE2 GLN A 4 4.367 12.308 2.259 1.00 0.00 H HETATM 61 N DIV A 5 -0.756 6.371 1.939 1.00 0.00 N HETATM 62 CA DIV A 5 -1.640 5.212 2.328 1.00 0.00 C HETATM 63 CB1 DIV A 5 -1.356 4.880 3.843 1.00 0.00 C HETATM 64 CG1 DIV A 5 -2.292 3.903 4.586 1.00 0.00 C HETATM 65 CB2 DIV A 5 -3.096 5.755 2.218 1.00 0.00 C HETATM 66 C DIV A 5 -1.486 3.975 1.336 1.00 0.00 C HETATM 67 O DIV A 5 -1.273 2.842 1.774 1.00 0.00 O HETATM 68 1HB1 DIV A 5 -0.325 4.494 3.946 1.00 0.00 H HETATM 69 2HB1 DIV A 5 -1.349 5.817 4.435 1.00 0.00 H HETATM 70 1HG1 DIV A 5 -2.414 2.945 4.053 1.00 0.00 H HETATM 71 2HG1 DIV A 5 -1.901 3.668 5.593 1.00 0.00 H HETATM 72 3HG1 DIV A 5 -3.301 4.332 4.732 1.00 0.00 H HETATM 73 1HB2 DIV A 5 -3.356 6.086 1.198 1.00 0.00 H HETATM 74 2HB2 DIV A 5 -3.843 4.982 2.480 1.00 0.00 H HETATM 75 3HB2 DIV A 5 -3.283 6.614 2.890 1.00 0.00 H HETATM 76 H DIV A 5 -1.153 7.273 1.655 1.00 0.00 H ATOM 77 N ILE A 6 -1.539 4.211 -0.001 1.00 0.00 N ATOM 78 CA ILE A 6 -1.396 3.171 -1.055 1.00 0.00 C ATOM 79 C ILE A 6 0.045 2.564 -1.135 1.00 0.00 C ATOM 80 O ILE A 6 0.139 1.343 -1.074 1.00 0.00 O ATOM 81 CB ILE A 6 -1.988 3.666 -2.430 1.00 0.00 C ATOM 82 CG1 ILE A 6 -3.487 4.113 -2.393 1.00 0.00 C ATOM 83 CG2 ILE A 6 -1.794 2.665 -3.600 1.00 0.00 C ATOM 84 CD1 ILE A 6 -4.536 3.069 -1.969 1.00 0.00 C ATOM 85 H ILE A 6 -1.829 5.154 -0.259 1.00 0.00 H ATOM 86 HA ILE A 6 -2.046 2.347 -0.724 1.00 0.00 H ATOM 87 HB ILE A 6 -1.413 4.568 -2.718 1.00 0.00 H ATOM 88 1HG1 ILE A 6 -3.594 4.972 -1.711 1.00 0.00 H ATOM 89 2HG1 ILE A 6 -3.774 4.522 -3.381 1.00 0.00 H ATOM 90 1HG2 ILE A 6 -2.276 1.691 -3.400 1.00 0.00 H ATOM 91 2HG2 ILE A 6 -2.210 3.051 -4.549 1.00 0.00 H ATOM 92 3HG2 ILE A 6 -0.725 2.464 -3.797 1.00 0.00 H ATOM 93 1HD1 ILE A 6 -4.369 2.718 -0.934 1.00 0.00 H ATOM 94 2HD1 ILE A 6 -5.553 3.501 -2.003 1.00 0.00 H ATOM 95 3HD1 ILE A 6 -4.534 2.183 -2.629 1.00 0.00 H ATOM 96 N THR A 7 1.136 3.354 -1.260 1.00 0.00 N ATOM 97 CA THR A 7 2.540 2.820 -1.317 1.00 0.00 C ATOM 98 C THR A 7 2.977 1.984 -0.062 1.00 0.00 C ATOM 99 O THR A 7 3.557 0.909 -0.228 1.00 0.00 O ATOM 100 CB THR A 7 3.547 3.967 -1.660 1.00 0.00 C ATOM 101 OG1 THR A 7 3.164 4.608 -2.873 1.00 0.00 O ATOM 102 CG2 THR A 7 5.013 3.524 -1.849 1.00 0.00 C ATOM 103 H THR A 7 0.936 4.358 -1.313 1.00 0.00 H ATOM 104 HA THR A 7 2.572 2.125 -2.179 1.00 0.00 H ATOM 105 HB THR A 7 3.524 4.722 -0.850 1.00 0.00 H ATOM 106 HG1 THR A 7 3.772 5.342 -2.989 1.00 0.00 H ATOM 107 1HG2 THR A 7 5.663 4.381 -2.108 1.00 0.00 H ATOM 108 2HG2 THR A 7 5.432 3.076 -0.929 1.00 0.00 H ATOM 109 3HG2 THR A 7 5.118 2.775 -2.655 1.00 0.00 H HETATM 110 N AIB A 8 2.669 2.461 1.162 1.00 0.00 N HETATM 111 CA AIB A 8 2.746 1.664 2.435 1.00 0.00 C HETATM 112 C AIB A 8 1.906 0.323 2.430 1.00 0.00 C HETATM 113 O1 AIB A 8 2.338 -0.688 2.996 1.00 0.00 O HETATM 114 CB1 AIB A 8 2.153 2.572 3.544 1.00 0.00 C HETATM 115 CB2 AIB A 8 4.241 1.426 2.803 1.00 0.00 C HETATM 116 1HB1 AIB A 8 1.095 2.825 3.347 1.00 0.00 H HETATM 117 2HB1 AIB A 8 2.175 2.089 4.539 1.00 0.00 H HETATM 118 3HB1 AIB A 8 2.694 3.531 3.650 1.00 0.00 H HETATM 119 1HB2 AIB A 8 4.831 2.363 2.811 1.00 0.00 H HETATM 120 2HB2 AIB A 8 4.361 0.969 3.805 1.00 0.00 H HETATM 121 3HB2 AIB A 8 4.741 0.742 2.091 1.00 0.00 H HETATM 122 H AIB A 8 2.060 3.279 1.088 1.00 0.00 H ATOM 123 N LEU A 9 0.710 0.311 1.796 1.00 0.00 N ATOM 124 CA LEU A 9 -0.062 -0.922 1.513 1.00 0.00 C ATOM 125 C LEU A 9 0.434 -1.772 0.305 1.00 0.00 C ATOM 126 O LEU A 9 0.032 -2.934 0.251 1.00 0.00 O ATOM 127 CB LEU A 9 -1.558 -0.547 1.308 1.00 0.00 C ATOM 128 CG LEU A 9 -2.423 -0.318 2.578 1.00 0.00 C ATOM 129 CD1 LEU A 9 -3.777 0.306 2.184 1.00 0.00 C ATOM 130 CD2 LEU A 9 -2.666 -1.616 3.382 1.00 0.00 C ATOM 131 H LEU A 9 0.484 1.136 1.236 1.00 0.00 H ATOM 132 HA LEU A 9 0.008 -1.568 2.398 1.00 0.00 H ATOM 133 1HB LEU A 9 -1.617 0.345 0.652 1.00 0.00 H ATOM 134 2HB LEU A 9 -2.060 -1.326 0.709 1.00 0.00 H ATOM 135 HG LEU A 9 -1.906 0.403 3.238 1.00 0.00 H ATOM 136 1HD1 LEU A 9 -4.361 -0.360 1.520 1.00 0.00 H ATOM 137 2HD1 LEU A 9 -4.405 0.521 3.069 1.00 0.00 H ATOM 138 3HD1 LEU A 9 -3.643 1.265 1.647 1.00 0.00 H ATOM 139 1HD2 LEU A 9 -1.726 -2.051 3.766 1.00 0.00 H ATOM 140 2HD2 LEU A 9 -3.309 -1.436 4.263 1.00 0.00 H ATOM 141 3HD2 LEU A 9 -3.160 -2.396 2.772 1.00 0.00 H HETATM 142 N AIB A 10 1.253 -1.256 -0.654 1.00 0.00 N HETATM 143 CA AIB A 10 1.729 -2.020 -1.858 1.00 0.00 C HETATM 144 C AIB A 10 2.399 -3.432 -1.534 1.00 0.00 C HETATM 145 O1 AIB A 10 1.934 -4.436 -2.090 1.00 0.00 O HETATM 146 CB1 AIB A 10 2.718 -1.128 -2.656 1.00 0.00 C HETATM 147 CB2 AIB A 10 0.500 -2.155 -2.804 1.00 0.00 C HETATM 148 1HB1 AIB A 10 3.625 -0.863 -2.089 1.00 0.00 H HETATM 149 2HB1 AIB A 10 3.068 -1.629 -3.580 1.00 0.00 H HETATM 150 3HB1 AIB A 10 2.261 -0.169 -2.971 1.00 0.00 H HETATM 151 1HB2 AIB A 10 0.035 -1.176 -3.033 1.00 0.00 H HETATM 152 2HB2 AIB A 10 0.771 -2.623 -3.768 1.00 0.00 H HETATM 153 3HB2 AIB A 10 -0.287 -2.787 -2.353 1.00 0.00 H HETATM 154 H AIB A 10 1.590 -0.298 -0.447 1.00 0.00 H HETATM 155 N HPR A 11 3.421 -3.616 -0.628 1.00 0.00 N HETATM 156 CA HPR A 11 3.868 -4.969 -0.176 1.00 0.00 C HETATM 157 C HPR A 11 2.873 -5.805 0.697 1.00 0.00 C HETATM 158 O HPR A 11 3.042 -7.022 0.801 1.00 0.00 O HETATM 159 CB HPR A 11 5.162 -4.640 0.586 1.00 0.00 C HETATM 160 CG HPR A 11 4.925 -3.256 1.199 1.00 0.00 C HETATM 161 CD HPR A 11 3.991 -2.548 0.213 1.00 0.00 C HETATM 162 OD HPR A 11 6.148 -2.550 1.373 1.00 0.00 O HETATM 163 HA HPR A 11 4.127 -5.582 -1.061 1.00 0.00 H HETATM 164 1HB HPR A 11 5.421 -5.395 1.352 1.00 0.00 H HETATM 165 2HB HPR A 11 6.017 -4.606 -0.120 1.00 0.00 H HETATM 166 1HD HPR A 11 3.202 -2.018 0.766 1.00 0.00 H HETATM 167 2HD HPR A 11 4.508 -1.799 -0.402 1.00 0.00 H HETATM 168 HOD HPR A 11 6.652 -3.058 2.012 1.00 0.00 H HETATM 169 HG HPR A 11 4.419 -3.366 2.177 1.00 0.00 H ATOM 170 N GLN A 12 1.849 -5.162 1.291 1.00 0.00 N ATOM 171 CA GLN A 12 0.702 -5.815 1.932 1.00 0.00 C ATOM 172 C GLN A 12 -0.560 -6.027 1.025 1.00 0.00 C ATOM 173 O GLN A 12 -1.577 -6.434 1.583 1.00 0.00 O ATOM 174 CB GLN A 12 0.379 -5.026 3.239 1.00 0.00 C ATOM 175 CG GLN A 12 1.438 -5.141 4.374 1.00 0.00 C ATOM 176 CD GLN A 12 1.972 -3.791 4.880 1.00 0.00 C ATOM 177 OE1 GLN A 12 2.950 -3.254 4.358 1.00 0.00 O ATOM 178 NE2 GLN A 12 1.346 -3.215 5.893 1.00 0.00 N ATOM 179 H GLN A 12 1.795 -4.163 1.141 1.00 0.00 H ATOM 180 HA GLN A 12 1.044 -6.802 2.233 1.00 0.00 H ATOM 181 1HB GLN A 12 0.170 -3.966 2.985 1.00 0.00 H ATOM 182 2HB GLN A 12 -0.576 -5.388 3.664 1.00 0.00 H ATOM 183 1HG GLN A 12 1.027 -5.737 5.212 1.00 0.00 H ATOM 184 2HG GLN A 12 2.307 -5.739 4.037 1.00 0.00 H ATOM 185 1HE2 GLN A 12 0.543 -3.722 6.281 1.00 0.00 H ATOM 186 2HE2 GLN A 12 1.709 -2.307 6.202 1.00 0.00 H HETATM 187 N AIB A 13 -0.537 -5.818 -0.324 1.00 0.00 N HETATM 188 CA AIB A 13 -1.512 -6.417 -1.301 1.00 0.00 C HETATM 189 C AIB A 13 -1.299 -7.992 -1.460 1.00 0.00 C HETATM 190 O1 AIB A 13 -2.288 -8.716 -1.307 1.00 0.00 O HETATM 191 CB1 AIB A 13 -1.280 -5.712 -2.667 1.00 0.00 C HETATM 192 CB2 AIB A 13 -2.990 -6.039 -0.961 1.00 0.00 C HETATM 193 1HB1 AIB A 13 -0.225 -5.706 -2.992 1.00 0.00 H HETATM 194 2HB1 AIB A 13 -1.856 -6.191 -3.485 1.00 0.00 H HETATM 195 3HB1 AIB A 13 -1.580 -4.646 -2.651 1.00 0.00 H HETATM 196 1HB2 AIB A 13 -3.129 -4.948 -0.827 1.00 0.00 H HETATM 197 2HB2 AIB A 13 -3.695 -6.357 -1.756 1.00 0.00 H HETATM 198 3HB2 AIB A 13 -3.353 -6.520 -0.038 1.00 0.00 H HETATM 199 H AIB A 13 0.360 -5.447 -0.681 1.00 0.00 H HETATM 200 N HPR A 14 -0.090 -8.598 -1.747 1.00 0.00 N HETATM 201 CA HPR A 14 0.068 -10.067 -1.963 1.00 0.00 C HETATM 202 C HPR A 14 -0.093 -10.987 -0.713 1.00 0.00 C HETATM 203 O HPR A 14 -0.800 -11.992 -0.821 1.00 0.00 O HETATM 204 CB HPR A 14 1.464 -10.181 -2.608 1.00 0.00 C HETATM 205 CG HPR A 14 2.234 -8.984 -2.051 1.00 0.00 C HETATM 206 CD HPR A 14 1.183 -7.882 -1.979 1.00 0.00 C HETATM 207 OD HPR A 14 3.320 -8.616 -2.894 1.00 0.00 O HETATM 208 HA HPR A 14 -0.677 -10.399 -2.715 1.00 0.00 H HETATM 209 1HB HPR A 14 1.975 -11.139 -2.399 1.00 0.00 H HETATM 210 2HB HPR A 14 1.376 -10.111 -3.709 1.00 0.00 H HETATM 211 1HD HPR A 14 1.436 -7.186 -1.170 1.00 0.00 H HETATM 212 2HD HPR A 14 1.143 -7.295 -2.912 1.00 0.00 H HETATM 213 HOD HPR A 14 2.927 -8.323 -3.720 1.00 0.00 H HETATM 214 HG HPR A 14 2.597 -9.208 -1.025 1.00 0.00 H HETATM 215 N AIB A 15 0.555 -10.671 0.438 1.00 0.00 N HETATM 216 CA AIB A 15 0.459 -11.449 1.716 1.00 0.00 C HETATM 217 C AIB A 15 -1.038 -11.784 2.161 1.00 0.00 C HETATM 218 O1 AIB A 15 -1.319 -12.969 2.376 1.00 0.00 O HETATM 219 CB1 AIB A 15 1.215 -10.628 2.801 1.00 0.00 C HETATM 220 CB2 AIB A 15 1.316 -12.741 1.535 1.00 0.00 C HETATM 221 1HB1 AIB A 15 0.860 -9.588 2.898 1.00 0.00 H HETATM 222 2HB1 AIB A 15 1.129 -11.090 3.802 1.00 0.00 H HETATM 223 3HB1 AIB A 15 2.299 -10.539 2.590 1.00 0.00 H HETATM 224 1HB2 AIB A 15 2.349 -12.525 1.200 1.00 0.00 H HETATM 225 2HB2 AIB A 15 1.401 -13.318 2.476 1.00 0.00 H HETATM 226 3HB2 AIB A 15 0.879 -13.429 0.787 1.00 0.00 H HETATM 227 H AIB A 15 1.101 -9.804 0.386 1.00 0.00 H ATOM 228 N PRO A 16 -2.051 -10.859 2.247 1.00 0.00 N ATOM 229 CA PRO A 16 -3.485 -11.229 2.410 1.00 0.00 C ATOM 230 C PRO A 16 -4.206 -11.736 1.117 1.00 0.00 C ATOM 231 O PRO A 16 -4.891 -12.760 1.195 1.00 0.00 O ATOM 232 CB PRO A 16 -4.097 -9.942 2.995 1.00 0.00 C ATOM 233 CG PRO A 16 -3.254 -8.803 2.425 1.00 0.00 C ATOM 234 CD PRO A 16 -1.856 -9.398 2.225 1.00 0.00 C ATOM 235 HA PRO A 16 -3.575 -12.022 3.182 1.00 0.00 H ATOM 236 1HB PRO A 16 -5.173 -9.818 2.767 1.00 0.00 H ATOM 237 2HB PRO A 16 -4.010 -9.949 4.100 1.00 0.00 H ATOM 238 1HG PRO A 16 -3.669 -8.477 1.452 1.00 0.00 H ATOM 239 2HG PRO A 16 -3.246 -7.918 3.087 1.00 0.00 H ATOM 240 1HD PRO A 16 -1.422 -9.055 1.272 1.00 0.00 H ATOM 241 2HD PRO A 16 -1.175 -9.072 3.029 1.00 0.00 H HETATM 242 N PHL A 17 -4.079 -11.038 -0.038 1.00 0.00 N HETATM 243 CA PHL A 17 -4.788 -11.409 -1.293 1.00 0.00 C HETATM 244 C PHL A 17 -3.788 -12.113 -2.240 1.00 0.00 C HETATM 245 O PHL A 17 -4.450 -12.643 -3.382 1.00 0.00 O HETATM 246 CB PHL A 17 -5.433 -10.154 -1.949 1.00 0.00 C HETATM 247 CG PHL A 17 -6.638 -9.550 -1.197 1.00 0.00 C HETATM 248 CD1 PHL A 17 -6.486 -8.408 -0.404 1.00 0.00 C HETATM 249 CD2 PHL A 17 -7.902 -10.140 -1.315 1.00 0.00 C HETATM 250 CE1 PHL A 17 -7.582 -7.869 0.269 1.00 0.00 C HETATM 251 CE2 PHL A 17 -8.996 -9.600 -0.640 1.00 0.00 C HETATM 252 CZ PHL A 17 -8.836 -8.465 0.148 1.00 0.00 C HETATM 253 H1 PHL A 17 -3.279 -12.948 -1.721 1.00 0.00 H HETATM 254 H2 PHL A 17 -2.988 -11.424 -2.569 1.00 0.00 H HETATM 255 HO PHL A 17 -4.743 -11.887 -3.894 1.00 0.00 H HETATM 256 HA PHL A 17 -5.603 -12.133 -1.085 1.00 0.00 H HETATM 257 1HB PHL A 17 -4.663 -9.377 -2.125 1.00 0.00 H HETATM 258 2HB PHL A 17 -5.774 -10.413 -2.969 1.00 0.00 H HETATM 259 HD1 PHL A 17 -5.521 -7.933 -0.303 1.00 0.00 H HETATM 260 HD2 PHL A 17 -8.043 -11.020 -1.926 1.00 0.00 H HETATM 261 HE1 PHL A 17 -7.462 -6.985 0.879 1.00 0.00 H HETATM 262 HE2 PHL A 17 -9.968 -10.063 -0.731 1.00 0.00 H HETATM 263 HZ PHL A 17 -9.686 -8.045 0.669 1.00 0.00 H HETATM 264 H PHL A 17 -3.452 -10.225 0.001 1.00 0.00 H TER 265 PHL A 17 HETATM 266 C ACE A 1 -2.030 10.870 0.557 1.00 0.00 C HETATM 267 O ACE A 1 -1.666 10.042 1.397 1.00 0.00 O HETATM 268 CH3 ACE A 1 -1.282 12.187 0.398 1.00 0.00 C HETATM 269 H1 ACE A 1 -0.855 12.275 -0.619 1.00 0.00 H HETATM 270 H2 ACE A 1 -1.940 13.056 0.572 1.00 0.00 H HETATM 271 H3 ACE A 1 -0.437 12.246 1.108 1.00 0.00 H ENDMDL MODEL 20 ATOM 1 N TRP A 2 -3.000 10.301 0.447 1.00 0.00 N ATOM 2 CA TRP A 2 -3.614 9.276 -0.440 1.00 0.00 C ATOM 3 C TRP A 2 -2.552 8.408 -1.196 1.00 0.00 C ATOM 4 O TRP A 2 -2.675 7.182 -1.219 1.00 0.00 O ATOM 5 CB TRP A 2 -4.609 9.939 -1.435 1.00 0.00 C ATOM 6 CG TRP A 2 -5.866 10.569 -0.810 1.00 0.00 C ATOM 7 CD1 TRP A 2 -5.975 11.895 -0.339 1.00 0.00 C ATOM 8 CD2 TRP A 2 -7.114 10.003 -0.611 1.00 0.00 C ATOM 9 NE1 TRP A 2 -7.262 12.173 0.157 1.00 0.00 N ATOM 10 CE2 TRP A 2 -7.953 10.985 -0.025 1.00 0.00 C ATOM 11 CE3 TRP A 2 -7.619 8.710 -0.904 1.00 0.00 C ATOM 12 CZ2 TRP A 2 -9.304 10.681 0.270 1.00 0.00 C ATOM 13 CZ3 TRP A 2 -8.954 8.433 -0.604 1.00 0.00 C ATOM 14 CH2 TRP A 2 -9.783 9.403 -0.026 1.00 0.00 C ATOM 15 H TRP A 2 -2.969 11.279 0.163 1.00 0.00 H ATOM 16 HA TRP A 2 -4.201 8.604 0.206 1.00 0.00 H ATOM 17 1HB TRP A 2 -4.081 10.702 -2.037 1.00 0.00 H ATOM 18 2HB TRP A 2 -4.939 9.187 -2.179 1.00 0.00 H ATOM 19 HD1 TRP A 2 -5.172 12.616 -0.354 1.00 0.00 H ATOM 20 HE1 TRP A 2 -7.615 13.055 0.543 1.00 0.00 H ATOM 21 HE3 TRP A 2 -6.993 7.954 -1.355 1.00 0.00 H ATOM 22 HZ2 TRP A 2 -9.957 11.421 0.710 1.00 0.00 H ATOM 23 HZ3 TRP A 2 -9.355 7.455 -0.824 1.00 0.00 H ATOM 24 HH2 TRP A 2 -10.814 9.160 0.192 1.00 0.00 H ATOM 25 N ILE A 3 -1.511 9.047 -1.782 1.00 0.00 N ATOM 26 CA ILE A 3 -0.323 8.340 -2.340 1.00 0.00 C ATOM 27 C ILE A 3 0.562 7.564 -1.306 1.00 0.00 C ATOM 28 O ILE A 3 1.059 6.487 -1.646 1.00 0.00 O ATOM 29 CB ILE A 3 0.457 9.246 -3.360 1.00 0.00 C ATOM 30 CG1 ILE A 3 1.438 8.490 -4.304 1.00 0.00 C ATOM 31 CG2 ILE A 3 1.213 10.419 -2.695 1.00 0.00 C ATOM 32 CD1 ILE A 3 0.797 7.466 -5.252 1.00 0.00 C ATOM 33 H ILE A 3 -1.549 10.070 -1.705 1.00 0.00 H ATOM 34 HA ILE A 3 -0.773 7.550 -2.947 1.00 0.00 H ATOM 35 HB ILE A 3 -0.297 9.713 -4.023 1.00 0.00 H ATOM 36 1HG1 ILE A 3 1.976 9.223 -4.935 1.00 0.00 H ATOM 37 2HG1 ILE A 3 2.230 7.989 -3.714 1.00 0.00 H ATOM 38 1HG2 ILE A 3 2.083 10.062 -2.115 1.00 0.00 H ATOM 39 2HG2 ILE A 3 1.597 11.137 -3.443 1.00 0.00 H ATOM 40 3HG2 ILE A 3 0.570 10.995 -2.003 1.00 0.00 H ATOM 41 1HD1 ILE A 3 -0.012 7.919 -5.857 1.00 0.00 H ATOM 42 2HD1 ILE A 3 1.544 7.057 -5.958 1.00 0.00 H ATOM 43 3HD1 ILE A 3 0.369 6.609 -4.704 1.00 0.00 H ATOM 44 N GLN A 4 0.721 8.066 -0.064 1.00 0.00 N ATOM 45 CA GLN A 4 1.330 7.289 1.053 1.00 0.00 C ATOM 46 C GLN A 4 0.483 6.083 1.551 1.00 0.00 C ATOM 47 O GLN A 4 1.062 5.015 1.757 1.00 0.00 O ATOM 48 CB GLN A 4 1.731 8.181 2.258 1.00 0.00 C ATOM 49 CG GLN A 4 2.927 9.132 2.021 1.00 0.00 C ATOM 50 CD GLN A 4 2.522 10.568 1.641 1.00 0.00 C ATOM 51 OE1 GLN A 4 2.034 11.333 2.474 1.00 0.00 O ATOM 52 NE2 GLN A 4 2.713 10.969 0.398 1.00 0.00 N ATOM 53 H GLN A 4 0.222 8.946 0.088 1.00 0.00 H ATOM 54 HA GLN A 4 2.268 6.857 0.661 1.00 0.00 H ATOM 55 1HB GLN A 4 0.853 8.726 2.656 1.00 0.00 H ATOM 56 2HB GLN A 4 2.035 7.517 3.091 1.00 0.00 H ATOM 57 1HG GLN A 4 3.507 9.182 2.960 1.00 0.00 H ATOM 58 2HG GLN A 4 3.631 8.685 1.290 1.00 0.00 H ATOM 59 1HE2 GLN A 4 3.062 10.265 -0.262 1.00 0.00 H ATOM 60 2HE2 GLN A 4 2.375 11.908 0.165 1.00 0.00 H HETATM 61 N DIV A 5 -0.851 6.237 1.735 1.00 0.00 N HETATM 62 CA DIV A 5 -1.806 5.125 2.064 1.00 0.00 C HETATM 63 CB1 DIV A 5 -1.599 4.760 3.585 1.00 0.00 C HETATM 64 CG1 DIV A 5 -2.578 3.776 4.257 1.00 0.00 C HETATM 65 CB2 DIV A 5 -3.232 5.729 1.906 1.00 0.00 C HETATM 66 C DIV A 5 -1.649 3.905 1.066 1.00 0.00 C HETATM 67 O DIV A 5 -1.410 2.777 1.508 1.00 0.00 O HETATM 68 1HB1 DIV A 5 -0.580 4.359 3.729 1.00 0.00 H HETATM 69 2HB1 DIV A 5 -1.613 5.685 4.195 1.00 0.00 H HETATM 70 1HG1 DIV A 5 -2.640 2.811 3.725 1.00 0.00 H HETATM 71 2HG1 DIV A 5 -2.266 3.555 5.293 1.00 0.00 H HETATM 72 3HG1 DIV A 5 -3.601 4.189 4.312 1.00 0.00 H HETATM 73 1HB2 DIV A 5 -3.423 6.119 0.891 1.00 0.00 H HETATM 74 2HB2 DIV A 5 -4.024 4.976 2.093 1.00 0.00 H HETATM 75 3HB2 DIV A 5 -3.423 6.565 2.607 1.00 0.00 H HETATM 76 H DIV A 5 -1.182 7.180 1.506 1.00 0.00 H ATOM 77 N ILE A 6 -1.700 4.128 -0.277 1.00 0.00 N ATOM 78 CA ILE A 6 -1.445 3.067 -1.291 1.00 0.00 C ATOM 79 C ILE A 6 0.017 2.517 -1.298 1.00 0.00 C ATOM 80 O ILE A 6 0.162 1.298 -1.238 1.00 0.00 O ATOM 81 CB ILE A 6 -2.066 3.416 -2.690 1.00 0.00 C ATOM 82 CG1 ILE A 6 -2.343 2.184 -3.605 1.00 0.00 C ATOM 83 CG2 ILE A 6 -1.375 4.571 -3.445 1.00 0.00 C ATOM 84 CD1 ILE A 6 -1.172 1.559 -4.388 1.00 0.00 C ATOM 85 H ILE A 6 -1.989 5.068 -0.567 1.00 0.00 H ATOM 86 HA ILE A 6 -2.067 2.237 -0.930 1.00 0.00 H ATOM 87 HB ILE A 6 -3.080 3.799 -2.467 1.00 0.00 H ATOM 88 1HG1 ILE A 6 -2.829 1.389 -3.005 1.00 0.00 H ATOM 89 2HG1 ILE A 6 -3.114 2.470 -4.345 1.00 0.00 H ATOM 90 1HG2 ILE A 6 -0.343 4.319 -3.749 1.00 0.00 H ATOM 91 2HG2 ILE A 6 -1.928 4.860 -4.359 1.00 0.00 H ATOM 92 3HG2 ILE A 6 -1.313 5.470 -2.811 1.00 0.00 H ATOM 93 1HD1 ILE A 6 -0.356 1.208 -3.735 1.00 0.00 H ATOM 94 2HD1 ILE A 6 -1.513 0.684 -4.972 1.00 0.00 H ATOM 95 3HD1 ILE A 6 -0.736 2.275 -5.109 1.00 0.00 H ATOM 96 N THR A 7 1.077 3.353 -1.335 1.00 0.00 N ATOM 97 CA THR A 7 2.507 2.890 -1.344 1.00 0.00 C ATOM 98 C THR A 7 2.920 1.995 -0.123 1.00 0.00 C ATOM 99 O THR A 7 3.510 0.929 -0.326 1.00 0.00 O ATOM 100 CB THR A 7 3.443 4.125 -1.557 1.00 0.00 C ATOM 101 OG1 THR A 7 3.090 4.809 -2.758 1.00 0.00 O ATOM 102 CG2 THR A 7 4.946 3.808 -1.671 1.00 0.00 C ATOM 103 H THR A 7 0.836 4.350 -1.364 1.00 0.00 H ATOM 104 HA THR A 7 2.621 2.257 -2.246 1.00 0.00 H ATOM 105 HB THR A 7 3.308 4.828 -0.710 1.00 0.00 H ATOM 106 HG1 THR A 7 3.617 5.610 -2.768 1.00 0.00 H ATOM 107 1HG2 THR A 7 5.536 4.724 -1.860 1.00 0.00 H ATOM 108 2HG2 THR A 7 5.343 3.353 -0.744 1.00 0.00 H ATOM 109 3HG2 THR A 7 5.149 3.107 -2.502 1.00 0.00 H HETATM 110 N AIB A 8 2.580 2.409 1.114 1.00 0.00 N HETATM 111 CA AIB A 8 2.638 1.564 2.355 1.00 0.00 C HETATM 112 C AIB A 8 1.803 0.225 2.288 1.00 0.00 C HETATM 113 O1 AIB A 8 2.219 -0.801 2.840 1.00 0.00 O HETATM 114 CB1 AIB A 8 2.020 2.429 3.485 1.00 0.00 C HETATM 115 CB2 AIB A 8 4.127 1.314 2.740 1.00 0.00 C HETATM 116 1HB1 AIB A 8 0.965 2.691 3.277 1.00 0.00 H HETATM 117 2HB1 AIB A 8 2.023 1.905 4.460 1.00 0.00 H HETATM 118 3HB1 AIB A 8 2.558 3.384 3.640 1.00 0.00 H HETATM 119 1HB2 AIB A 8 4.712 2.252 2.804 1.00 0.00 H HETATM 120 2HB2 AIB A 8 4.226 0.814 3.722 1.00 0.00 H HETATM 121 3HB2 AIB A 8 4.642 0.665 2.008 1.00 0.00 H HETATM 122 H AIB A 8 1.942 3.206 1.056 1.00 0.00 H ATOM 123 N LEU A 9 0.625 0.231 1.621 1.00 0.00 N ATOM 124 CA LEU A 9 -0.134 -0.993 1.285 1.00 0.00 C ATOM 125 C LEU A 9 0.425 -1.830 0.097 1.00 0.00 C ATOM 126 O LEU A 9 0.054 -3.000 0.034 1.00 0.00 O ATOM 127 CB LEU A 9 -1.622 -0.619 1.014 1.00 0.00 C ATOM 128 CG LEU A 9 -2.532 -0.404 2.255 1.00 0.00 C ATOM 129 CD1 LEU A 9 -3.868 0.243 1.834 1.00 0.00 C ATOM 130 CD2 LEU A 9 -2.816 -1.714 3.023 1.00 0.00 C ATOM 131 H LEU A 9 0.405 1.078 1.088 1.00 0.00 H ATOM 132 HA LEU A 9 -0.103 -1.651 2.165 1.00 0.00 H ATOM 133 1HB LEU A 9 -1.656 0.277 0.366 1.00 0.00 H ATOM 134 2HB LEU A 9 -2.094 -1.395 0.386 1.00 0.00 H ATOM 135 HG LEU A 9 -2.032 0.299 2.946 1.00 0.00 H ATOM 136 1HD1 LEU A 9 -4.443 -0.400 1.140 1.00 0.00 H ATOM 137 2HD1 LEU A 9 -4.518 0.446 2.707 1.00 0.00 H ATOM 138 3HD1 LEU A 9 -3.711 1.213 1.325 1.00 0.00 H ATOM 139 1HD2 LEU A 9 -1.894 -2.171 3.427 1.00 0.00 H ATOM 140 2HD2 LEU A 9 -3.484 -1.544 3.888 1.00 0.00 H ATOM 141 3HD2 LEU A 9 -3.300 -2.477 2.382 1.00 0.00 H HETATM 142 N AIB A 10 1.271 -1.301 -0.830 1.00 0.00 N HETATM 143 CA AIB A 10 1.825 -2.070 -1.999 1.00 0.00 C HETATM 144 C AIB A 10 2.509 -3.460 -1.611 1.00 0.00 C HETATM 145 O1 AIB A 10 2.063 -4.491 -2.134 1.00 0.00 O HETATM 146 CB1 AIB A 10 2.825 -1.158 -2.761 1.00 0.00 C HETATM 147 CB2 AIB A 10 0.646 -2.251 -3.001 1.00 0.00 C HETATM 148 1HB1 AIB A 10 3.698 -0.861 -2.158 1.00 0.00 H HETATM 149 2HB1 AIB A 10 3.232 -1.658 -3.661 1.00 0.00 H HETATM 150 3HB1 AIB A 10 2.360 -0.212 -3.106 1.00 0.00 H HETATM 151 1HB2 AIB A 10 0.173 -1.289 -3.276 1.00 0.00 H HETATM 152 2HB2 AIB A 10 0.974 -2.736 -3.939 1.00 0.00 H HETATM 153 3HB2 AIB A 10 -0.147 -2.889 -2.576 1.00 0.00 H HETATM 154 H AIB A 10 1.604 -0.347 -0.592 1.00 0.00 H HETATM 155 N HPR A 11 3.509 -3.596 -0.677 1.00 0.00 N HETATM 156 CA HPR A 11 3.976 -4.923 -0.171 1.00 0.00 C HETATM 157 C HPR A 11 2.959 -5.762 0.680 1.00 0.00 C HETATM 158 O HPR A 11 3.137 -6.979 0.808 1.00 0.00 O HETATM 159 CB HPR A 11 5.226 -4.535 0.642 1.00 0.00 C HETATM 160 CG HPR A 11 4.903 -3.157 1.224 1.00 0.00 C HETATM 161 CD HPR A 11 4.021 -2.493 0.160 1.00 0.00 C HETATM 162 OD HPR A 11 6.081 -2.400 1.476 1.00 0.00 O HETATM 163 HA HPR A 11 4.296 -5.546 -1.029 1.00 0.00 H HETATM 164 1HB HPR A 11 5.475 -5.267 1.434 1.00 0.00 H HETATM 165 2HB HPR A 11 6.115 -4.475 -0.019 1.00 0.00 H HETATM 166 1HD HPR A 11 3.206 -1.944 0.653 1.00 0.00 H HETATM 167 2HD HPR A 11 4.565 -1.766 -0.457 1.00 0.00 H HETATM 168 HOD HPR A 11 6.605 -2.922 2.089 1.00 0.00 H HETATM 169 HG HPR A 11 4.328 -3.280 2.164 1.00 0.00 H ATOM 170 N GLN A 12 1.912 -5.115 1.233 1.00 0.00 N ATOM 171 CA GLN A 12 0.766 -5.749 1.897 1.00 0.00 C ATOM 172 C GLN A 12 -0.492 -5.998 0.988 1.00 0.00 C ATOM 173 O GLN A 12 -1.513 -6.387 1.555 1.00 0.00 O ATOM 174 CB GLN A 12 0.413 -4.907 3.161 1.00 0.00 C ATOM 175 CG GLN A 12 1.479 -4.893 4.289 1.00 0.00 C ATOM 176 CD GLN A 12 1.126 -3.972 5.473 1.00 0.00 C ATOM 177 OE1 GLN A 12 -0.029 -3.837 5.878 1.00 0.00 O ATOM 178 NE2 GLN A 12 2.115 -3.325 6.069 1.00 0.00 N ATOM 179 H GLN A 12 1.836 -4.128 1.030 1.00 0.00 H ATOM 180 HA GLN A 12 1.114 -6.718 2.246 1.00 0.00 H ATOM 181 1HB GLN A 12 0.177 -3.868 2.861 1.00 0.00 H ATOM 182 2HB GLN A 12 -0.523 -5.290 3.610 1.00 0.00 H ATOM 183 1HG GLN A 12 1.618 -5.920 4.676 1.00 0.00 H ATOM 184 2HG GLN A 12 2.460 -4.603 3.864 1.00 0.00 H ATOM 185 1HE2 GLN A 12 3.059 -3.496 5.706 1.00 0.00 H ATOM 186 2HE2 GLN A 12 1.859 -2.732 6.868 1.00 0.00 H HETATM 187 N AIB A 13 -0.469 -5.827 -0.368 1.00 0.00 N HETATM 188 CA AIB A 13 -1.449 -6.454 -1.325 1.00 0.00 C HETATM 189 C AIB A 13 -1.235 -8.034 -1.431 1.00 0.00 C HETATM 190 O1 AIB A 13 -2.232 -8.753 -1.289 1.00 0.00 O HETATM 191 CB1 AIB A 13 -1.215 -5.792 -2.713 1.00 0.00 C HETATM 192 CB2 AIB A 13 -2.929 -6.071 -0.997 1.00 0.00 C HETATM 193 1HB1 AIB A 13 -0.166 -5.830 -3.053 1.00 0.00 H HETATM 194 2HB1 AIB A 13 -1.819 -6.271 -3.511 1.00 0.00 H HETATM 195 3HB1 AIB A 13 -1.485 -4.717 -2.722 1.00 0.00 H HETATM 196 1HB2 AIB A 13 -3.070 -4.980 -0.867 1.00 0.00 H HETATM 197 2HB2 AIB A 13 -3.631 -6.392 -1.792 1.00 0.00 H HETATM 198 3HB2 AIB A 13 -3.295 -6.551 -0.074 1.00 0.00 H HETATM 199 H AIB A 13 0.422 -5.444 -0.736 1.00 0.00 H HETATM 200 N HPR A 14 -0.020 -8.651 -1.661 1.00 0.00 N HETATM 201 CA HPR A 14 0.145 -10.126 -1.817 1.00 0.00 C HETATM 202 C HPR A 14 -0.043 -11.007 -0.543 1.00 0.00 C HETATM 203 O HPR A 14 -0.693 -12.048 -0.649 1.00 0.00 O HETATM 204 CB HPR A 14 1.557 -10.259 -2.420 1.00 0.00 C HETATM 205 CG HPR A 14 2.311 -9.045 -1.884 1.00 0.00 C HETATM 206 CD HPR A 14 1.257 -7.943 -1.894 1.00 0.00 C HETATM 207 OD HPR A 14 3.425 -8.708 -2.700 1.00 0.00 O HETATM 208 HA HPR A 14 -0.578 -10.483 -2.576 1.00 0.00 H HETATM 209 1HB HPR A 14 2.065 -11.209 -2.170 1.00 0.00 H HETATM 210 2HB HPR A 14 1.498 -10.220 -3.524 1.00 0.00 H HETATM 211 1HD HPR A 14 1.494 -7.209 -1.115 1.00 0.00 H HETATM 212 2HD HPR A 14 1.240 -7.403 -2.856 1.00 0.00 H HETATM 213 HOD HPR A 14 3.060 -8.426 -3.541 1.00 0.00 H HETATM 214 HG HPR A 14 2.637 -9.227 -0.837 1.00 0.00 H HETATM 215 N AIB A 15 0.526 -10.625 0.630 1.00 0.00 N HETATM 216 CA AIB A 15 0.391 -11.365 1.927 1.00 0.00 C HETATM 217 C AIB A 15 -1.125 -11.673 2.325 1.00 0.00 C HETATM 218 O1 AIB A 15 -1.430 -12.852 2.544 1.00 0.00 O HETATM 219 CB1 AIB A 15 1.114 -10.514 3.008 1.00 0.00 C HETATM 220 CB2 AIB A 15 1.248 -12.668 1.826 1.00 0.00 C HETATM 221 1HB1 AIB A 15 0.759 -9.471 3.065 1.00 0.00 H HETATM 222 2HB1 AIB A 15 0.998 -10.946 4.019 1.00 0.00 H HETATM 223 3HB1 AIB A 15 2.205 -10.430 2.827 1.00 0.00 H HETATM 224 1HB2 AIB A 15 2.295 -12.470 1.523 1.00 0.00 H HETATM 225 2HB2 AIB A 15 1.294 -13.208 2.790 1.00 0.00 H HETATM 226 3HB2 AIB A 15 0.838 -13.383 1.089 1.00 0.00 H HETATM 227 H AIB A 15 1.011 -9.722 0.586 1.00 0.00 H ATOM 228 N PRO A 16 -2.129 -10.736 2.372 1.00 0.00 N ATOM 229 CA PRO A 16 -3.570 -11.083 2.511 1.00 0.00 C ATOM 230 C PRO A 16 -4.262 -11.624 1.215 1.00 0.00 C ATOM 231 O PRO A 16 -4.955 -12.642 1.304 1.00 0.00 O ATOM 232 CB PRO A 16 -4.188 -9.771 3.034 1.00 0.00 C ATOM 233 CG PRO A 16 -3.316 -8.660 2.452 1.00 0.00 C ATOM 234 CD PRO A 16 -1.921 -9.277 2.298 1.00 0.00 C ATOM 235 HA PRO A 16 -3.690 -11.849 3.304 1.00 0.00 H ATOM 236 1HB PRO A 16 -5.254 -9.646 2.764 1.00 0.00 H ATOM 237 2HB PRO A 16 -4.138 -9.745 4.137 1.00 0.00 H ATOM 238 1HG PRO A 16 -3.703 -8.354 1.461 1.00 0.00 H ATOM 239 2HG PRO A 16 -3.314 -7.757 3.091 1.00 0.00 H ATOM 240 1HD PRO A 16 -1.471 -8.976 1.339 1.00 0.00 H ATOM 241 2HD PRO A 16 -1.253 -8.921 3.097 1.00 0.00 H HETATM 242 N PHL A 17 -4.101 -10.958 0.047 1.00 0.00 N HETATM 243 CA PHL A 17 -4.757 -11.372 -1.224 1.00 0.00 C HETATM 244 C PHL A 17 -3.697 -11.986 -2.166 1.00 0.00 C HETATM 245 O PHL A 17 -3.179 -13.197 -1.628 1.00 0.00 O HETATM 246 CB PHL A 17 -5.473 -10.170 -1.904 1.00 0.00 C HETATM 247 CG PHL A 17 -6.679 -9.588 -1.137 1.00 0.00 C HETATM 248 CD1 PHL A 17 -7.937 -10.196 -1.220 1.00 0.00 C HETATM 249 CD2 PHL A 17 -6.526 -8.446 -0.339 1.00 0.00 C HETATM 250 CE1 PHL A 17 -9.018 -9.683 -0.510 1.00 0.00 C HETATM 251 CE2 PHL A 17 -7.608 -7.934 0.371 1.00 0.00 C HETATM 252 CZ PHL A 17 -8.854 -8.551 0.287 1.00 0.00 C HETATM 253 H1 PHL A 17 -2.866 -11.279 -2.357 1.00 0.00 H HETATM 254 H2 PHL A 17 -4.137 -12.206 -3.155 1.00 0.00 H HETATM 255 HO PHL A 17 -3.938 -13.696 -1.318 1.00 0.00 H HETATM 256 HA PHL A 17 -5.526 -12.150 -1.043 1.00 0.00 H HETATM 257 1HB PHL A 17 -4.741 -9.369 -2.128 1.00 0.00 H HETATM 258 2HB PHL A 17 -5.829 -10.488 -2.903 1.00 0.00 H HETATM 259 HD1 PHL A 17 -8.081 -11.077 -1.833 1.00 0.00 H HETATM 260 HD2 PHL A 17 -5.564 -7.957 -0.262 1.00 0.00 H HETATM 261 HE1 PHL A 17 -9.985 -10.162 -0.573 1.00 0.00 H HETATM 262 HE2 PHL A 17 -7.483 -7.057 0.990 1.00 0.00 H HETATM 263 HZ PHL A 17 -9.693 -8.156 0.839 1.00 0.00 H HETATM 264 H PHL A 17 -3.465 -10.150 0.084 1.00 0.00 H TER 265 PHL A 17 HETATM 266 C ACE A 1 -2.321 9.997 1.559 1.00 0.00 C HETATM 267 O ACE A 1 -2.348 8.896 2.110 1.00 0.00 O HETATM 268 CH3 ACE A 1 -1.416 11.104 2.079 1.00 0.00 C HETATM 269 H1 ACE A 1 -1.997 11.993 2.385 1.00 0.00 H HETATM 270 H2 ACE A 1 -0.828 10.759 2.948 1.00 0.00 H HETATM 271 H3 ACE A 1 -0.691 11.412 1.301 1.00 0.00 H ENDMDL CONECT 61 62 68 CONECT 62 61 63 65 66 CONECT 63 62 64 69 70 CONECT 64 63 71 72 73 CONECT 65 62 74 75 76 CONECT 66 62 67 CONECT 67 66 CONECT 68 61 CONECT 69 63 CONECT 70 63 CONECT 71 64 CONECT 72 64 CONECT 73 64 CONECT 74 65 CONECT 75 65 CONECT 76 65 CONECT 110 111 116 CONECT 111 110 112 114 115 CONECT 112 111 113 CONECT 113 112 CONECT 114 111 117 118 119 CONECT 115 111 120 121 122 CONECT 116 110 CONECT 117 114 CONECT 118 114 CONECT 119 114 CONECT 120 115 CONECT 121 115 CONECT 122 115 CONECT 142 143 148 CONECT 143 142 144 146 147 CONECT 144 143 145 CONECT 145 144 CONECT 146 143 149 150 151 CONECT 147 143 152 153 154 CONECT 148 142 CONECT 149 146 CONECT 150 146 CONECT 151 146 CONECT 152 147 CONECT 153 147 CONECT 154 147 CONECT 155 156 161 CONECT 156 155 157 159 163 CONECT 157 156 158 CONECT 158 157 CONECT 159 156 160 164 165 CONECT 160 159 161 162 169 CONECT 161 155 160 166 167 CONECT 162 160 168 CONECT 163 156 CONECT 164 159 CONECT 165 159 CONECT 166 161 CONECT 167 161 CONECT 168 162 CONECT 169 160 CONECT 187 188 193 CONECT 188 187 189 191 192 CONECT 189 188 190 CONECT 190 189 CONECT 191 188 194 195 196 CONECT 192 188 197 198 199 CONECT 193 187 CONECT 194 191 CONECT 195 191 CONECT 196 191 CONECT 197 192 CONECT 198 192 CONECT 199 192 CONECT 200 201 206 CONECT 201 200 202 204 208 CONECT 202 201 203 CONECT 203 202 CONECT 204 201 205 209 210 CONECT 205 204 206 207 214 CONECT 206 200 205 211 212 CONECT 207 205 213 CONECT 208 201 CONECT 209 204 CONECT 210 204 CONECT 211 206 CONECT 212 206 CONECT 213 207 CONECT 214 205 CONECT 215 216 221 CONECT 216 215 217 219 220 CONECT 217 216 218 CONECT 218 217 CONECT 219 216 222 223 224 CONECT 220 216 225 226 227 CONECT 221 215 CONECT 222 219 CONECT 223 219 CONECT 224 219 CONECT 225 220 CONECT 226 220 CONECT 227 220 CONECT 242 243 257 CONECT 243 242 244 246 256 CONECT 244 243 245 253 254 CONECT 245 244 255 CONECT 246 243 247 258 259 CONECT 247 246 248 249 CONECT 248 247 250 260 CONECT 249 247 251 261 CONECT 250 248 252 262 CONECT 251 249 252 263 CONECT 252 250 251 264 CONECT 253 244 CONECT 254 244 CONECT 255 245 CONECT 256 243 CONECT 257 242 CONECT 258 246 CONECT 259 246 CONECT 260 248 CONECT 261 249 CONECT 262 250 CONECT 263 251 CONECT 264 252 CONECT 266 267 268 CONECT 267 266 CONECT 268 266 269 270 271 CONECT 269 268 CONECT 270 268 CONECT 271 268 MASTER 149 0 9 0 0 0 0 6 5400 20 127 2 END