HEADER ANTIBIOTIC 19-APR-01 1IH9 TITLE NMR STRUCTURE OF ZERVAMICIN IIB (PEPTAIBOL ANTIBIOTIC) TITLE 2 BOUND TO DPC MICELLES COMPND MOL_ID: 1; COMPND 2 MOLECULE: ZERVAMICIN IIB; COMPND 3 CHAIN: A SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: EMERICELLOPSIS SALMOSYNNEMATA; SOURCE 3 STRAIN: 336 IMI 58330 KEYWDS BENT HELIX EXPDTA NMR, 20 STRUCTURES AUTHOR Z.O.SHENKAREV,T.A.BALASHEVA,R.G.EFREMOV,Z.A.YAKIMENKO, AUTHOR 2 T.V.OVCHINNIKOVA,J.RAAP,A.S.ARSENIEV REVDAT 1 13-FEB-02 1IH9 0 JRNL AUTH Z.O.SHENKAREV,T.A.BALASHEVA,R.G.EFREMOV, JRNL AUTH 2 Z.A.YAKIMENKO,T.V.OVCHINNIKOVA,J.RAAP,A.S.ARSENIEV JRNL TITL SPATIAL STRUCTURE OF ZERVAMICIN IIB BOUND TO DPC JRNL TITL 2 MICELLES: IMPLICATIONS FOR VOLTAGE-GATING. JRNL REF BIOPHYS.J. V. 82 762 2002 JRNL REFN ASTM BIOJAU US ISSN 0006-3495 REMARK 1 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : DISCOVER 1.2 REMARK 3 AUTHORS : BIOSYM TECHNOLOGIES REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: 536 NOESY PEAKS, 174 UPPER REMARK 3 CONSTRAINTS 29 ADDITIONAL LOWER CONSTRAINTS 60 ADDITIONAL REMARK 3 CONSTRAINTS FOR HYDROGEN BONDS 11 ANGLE CONSTRAINTS REMARK 4 REMARK 4 1IH9 COMPLIES WITH FORMAT V. 2.3, 09-JULY-1998 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 23-APR-2001. REMARK 100 THE RCSB ID CODE IS RCSB013265. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 303 REMARK 210 PH : 6.8 REMARK 210 IONIC STRENGTH : 0 REMARK 210 PRESSURE : 1ATM REMARK 210 SAMPLE CONTENTS : 1.8 MM ZRV-IIB; 70MM D-DPC; REMARK 210 90% H2O, 10% D2O REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : 2D NOESY, DQF-COSY, 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 : VNMR 5.3, XEASY 2.1, DYANA 1.5 REMARK 210 METHOD USED : SIMULATED ANNELING. ENERGY REMARK 210 MINIMISATION. REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 100 REMARK 210 CONFORMERS, NUMBER SUBMITTED : 20 REMARK 210 CONFORMERS, SELECTION CRITERIA : TARGET FUNCTION REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : 1 REMARK 210 REMARK 210 REMARK: THIS STRUCTURE WAS DETERMINED USING STANDARD 2D REMARK 210 HOMONUCLEAR TECHNIQUES. 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: NON-CIS, NON-TRANS REMARK 500 REMARK 500 THE FOLLOWING PEPTIDE BONDS DEVIATE SIGNIFICANTLY FROM BOTH REMARK 500 CIS AND TRANS CONFORMATION. CIS BONDS, IF ANY, ARE LISTED REMARK 500 ON CISPEP RECORDS. TRANS IS DEFINED AS 180 +/- 30 AND REMARK 500 CIS IS DEFINED AS 0 +/- 30 DEGREES. REMARK 500 MODEL OMEGA REMARK 500 GLN A 12 AIB A 13 1 149.79 REMARK 500 GLN A 12 AIB A 13 6 149.34 REMARK 500 GLN A 12 AIB A 13 9 149.48 REMARK 500 GLN A 12 AIB A 13 10 149.48 REMARK 500 GLN A 12 AIB A 13 11 149.46 REMARK 500 GLN A 12 AIB A 13 12 149.73 REMARK 500 GLN A 12 AIB A 13 13 149.86 REMARK 500 GLN A 12 AIB A 13 14 149.72 REMARK 500 GLN A 12 AIB A 13 15 149.55 REMARK 500 GLN A 12 AIB A 13 19 149.24 REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 1DLZ RELATED DB: PDB REMARK 900 1DLZ IS THE SOLUTION STRUCTURE OF ZRV-IIB IN ISOTROPIC REMARK 900 SOLVENTS REMARK 900 RELATED ID: 1AMT RELATED DB: PDB REMARK 900 1AMT IS THE CRYSTAL STRUCTURE OF ALAMETHICIN (BEST STUDIED REMARK 900 PEPTAIBOL) REMARK 900 RELATED ID: 1JOH RELATED DB: PDB REMARK 900 1JOH IS THE CRYSTAL STRUCTURE OF ANTIAMOEBIN I (GOMOLOGOUS REMARK 900 TO ZRV PEPTAIBOL) REMARK 900 RELATED ID: 1EE7 RELATED DB: PDB REMARK 900 1EE7 IS THE NMR STRUCTURE OF CHRYSOSPERMIN IN DPC (19 A.A. REMARK 900 PETAIBOL) SEQRES 1 A 17 ACE TRP ILE GLN DIV ILE THR AIB LEU AIB HYP GLN AIB SEQRES 2 A 17 HYP AIB PRO PHL MODRES 1IH9 DIV A 5 VAL D-ISOVALINE MODRES 1IH9 AIB A 8 ALA ALPHA-AMINOISOBUTYRIC ACID MODRES 1IH9 AIB A 10 ALA ALPHA-AMINOISOBUTYRIC ACID MODRES 1IH9 HYP A 11 PRO 4-HYDROXYPROLINE MODRES 1IH9 AIB A 13 ALA ALPHA-AMINOISOBUTYRIC ACID MODRES 1IH9 HYP A 14 PRO 4-HYDROXYPROLINE MODRES 1IH9 AIB A 15 ALA ALPHA-AMINOISOBUTYRIC ACID MODRES 1IH9 PHL A 17 PHE L-PHENYLALANINOL HET ACE A 1 6 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 HETNAM ACE ACETYL GROUP HETNAM DIV D-ISOVALINE HETNAM AIB ALPHA-AMINOISOBUTYRIC ACID HETNAM HYP 4-HYDROXYPROLINE HETNAM PHL L-PHENYLALANINOL HETSYN HYP HYDROXYPROLINE FORMUL 1 ACE C2 H3 O1 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 HELIX 1 1 TRP A 2 AIB A 8 1 7 CRYST1 1.000 1.000 1.000 90.00 90.00 90.00 P 1 1 ORIGX1 1.000000 0.000000 0.000000 0.00000 ORIGX2 0.000000 1.000000 0.000000 0.00000 ORIGX3 0.000000 0.000000 1.000000 0.00000 SCALE1 1.000000 0.000000 0.000000 0.00000 SCALE2 0.000000 1.000000 0.000000 0.00000 SCALE3 0.000000 0.000000 1.000000 0.00000 MODEL 1 HETATM 1 C ACE A 1 -11.573 -1.527 -1.101 1.00 0.00 C HETATM 2 O ACE A 1 -10.493 -1.584 -1.691 1.00 0.00 O HETATM 3 CH3 ACE A 1 -12.524 -2.725 -1.115 1.00 0.00 C HETATM 4 1H ACE A 1 -13.576 -2.423 -1.275 1.00 0.00 H HETATM 5 2H ACE A 1 -12.258 -3.435 -1.921 1.00 0.00 H HETATM 6 3H ACE A 1 -12.473 -3.283 -0.160 1.00 0.00 H ATOM 7 N TRP A 2 -11.978 -0.469 -0.380 1.00 0.00 N ATOM 8 CA TRP A 2 -11.099 0.700 -0.074 1.00 0.00 C ATOM 9 C TRP A 2 -10.006 0.393 1.002 1.00 0.00 C ATOM 10 O TRP A 2 -8.849 0.773 0.804 1.00 0.00 O ATOM 11 CB TRP A 2 -12.000 1.911 0.298 1.00 0.00 C ATOM 12 CG TRP A 2 -11.276 3.255 0.498 1.00 0.00 C ATOM 13 CD1 TRP A 2 -10.915 4.176 -0.509 1.00 0.00 C ATOM 14 CD2 TRP A 2 -10.855 3.826 1.688 1.00 0.00 C ATOM 15 NE1 TRP A 2 -10.268 5.309 0.023 1.00 0.00 N ATOM 16 CE2 TRP A 2 -10.244 5.070 1.389 1.00 0.00 C ATOM 17 CE3 TRP A 2 -10.949 3.378 3.030 1.00 0.00 C ATOM 18 CZ2 TRP A 2 -9.716 5.872 2.432 1.00 0.00 C ATOM 19 CZ3 TRP A 2 -10.420 4.182 4.040 1.00 0.00 C ATOM 20 CH2 TRP A 2 -9.810 5.409 3.745 1.00 0.00 C ATOM 21 H TRP A 2 -12.910 -0.566 0.037 1.00 0.00 H ATOM 22 HA TRP A 2 -10.567 0.974 -1.008 1.00 0.00 H ATOM 23 1HB TRP A 2 -12.761 2.050 -0.492 1.00 0.00 H ATOM 24 2HB TRP A 2 -12.588 1.675 1.207 1.00 0.00 H ATOM 25 HD1 TRP A 2 -11.115 4.042 -1.562 1.00 0.00 H ATOM 26 HE1 TRP A 2 -9.908 6.129 -0.479 1.00 0.00 H ATOM 27 HE3 TRP A 2 -11.420 2.436 3.272 1.00 0.00 H ATOM 28 HZ2 TRP A 2 -9.239 6.817 2.219 1.00 0.00 H ATOM 29 HZ3 TRP A 2 -10.485 3.852 5.067 1.00 0.00 H ATOM 30 HH2 TRP A 2 -9.406 6.004 4.549 1.00 0.00 H ATOM 31 N ILE A 3 -10.355 -0.308 2.102 1.00 0.00 N ATOM 32 CA ILE A 3 -9.347 -0.933 3.014 1.00 0.00 C ATOM 33 C ILE A 3 -8.457 -2.041 2.371 1.00 0.00 C ATOM 34 O ILE A 3 -7.270 -2.097 2.695 1.00 0.00 O ATOM 35 CB ILE A 3 -9.939 -1.410 4.392 1.00 0.00 C ATOM 36 CG1 ILE A 3 -11.120 -2.428 4.282 1.00 0.00 C ATOM 37 CG2 ILE A 3 -10.309 -0.223 5.310 1.00 0.00 C ATOM 38 CD1 ILE A 3 -11.229 -3.425 5.447 1.00 0.00 C ATOM 39 H ILE A 3 -11.348 -0.566 2.126 1.00 0.00 H ATOM 40 HA ILE A 3 -8.613 -0.134 3.225 1.00 0.00 H ATOM 41 HB ILE A 3 -9.109 -1.925 4.916 1.00 0.00 H ATOM 42 1HG1 ILE A 3 -12.080 -1.889 4.163 1.00 0.00 H ATOM 43 2HG1 ILE A 3 -11.027 -3.026 3.358 1.00 0.00 H ATOM 44 1HG2 ILE A 3 -11.132 0.386 4.892 1.00 0.00 H ATOM 45 2HG2 ILE A 3 -10.631 -0.564 6.312 1.00 0.00 H ATOM 46 3HG2 ILE A 3 -9.449 0.455 5.468 1.00 0.00 H ATOM 47 1HD1 ILE A 3 -11.343 -2.920 6.424 1.00 0.00 H ATOM 48 2HD1 ILE A 3 -12.103 -4.090 5.317 1.00 0.00 H ATOM 49 3HD1 ILE A 3 -10.334 -4.074 5.507 1.00 0.00 H ATOM 50 N GLN A 4 -8.990 -2.883 1.462 1.00 0.00 N ATOM 51 CA GLN A 4 -8.172 -3.828 0.652 1.00 0.00 C ATOM 52 C GLN A 4 -7.127 -3.149 -0.282 1.00 0.00 C ATOM 53 O GLN A 4 -5.998 -3.635 -0.355 1.00 0.00 O ATOM 54 CB GLN A 4 -9.113 -4.781 -0.139 1.00 0.00 C ATOM 55 CG GLN A 4 -8.596 -6.232 -0.304 1.00 0.00 C ATOM 56 CD GLN A 4 -8.572 -7.084 0.989 1.00 0.00 C ATOM 57 OE1 GLN A 4 -9.083 -6.712 2.047 1.00 0.00 O ATOM 58 NE2 GLN A 4 -7.980 -8.263 0.923 1.00 0.00 N ATOM 59 H GLN A 4 -9.978 -2.714 1.253 1.00 0.00 H ATOM 60 HA GLN A 4 -7.593 -4.435 1.378 1.00 0.00 H ATOM 61 1HB GLN A 4 -10.113 -4.849 0.335 1.00 0.00 H ATOM 62 2HB GLN A 4 -9.333 -4.362 -1.141 1.00 0.00 H ATOM 63 1HG GLN A 4 -9.238 -6.750 -1.040 1.00 0.00 H ATOM 64 2HG GLN A 4 -7.589 -6.212 -0.762 1.00 0.00 H ATOM 65 1HE2 GLN A 4 -7.974 -8.821 1.784 1.00 0.00 H ATOM 66 2HE2 GLN A 4 -7.605 -8.539 0.010 1.00 0.00 H HETATM 67 N DIV A 5 -7.501 -2.041 -0.969 1.00 0.00 N HETATM 68 CA DIV A 5 -6.614 -1.201 -1.815 1.00 0.00 C HETATM 69 CB1 DIV A 5 -6.129 -2.067 -3.025 1.00 0.00 C HETATM 70 CG1 DIV A 5 -7.117 -2.522 -4.119 1.00 0.00 C HETATM 71 CB2 DIV A 5 -7.491 -0.025 -2.348 1.00 0.00 C HETATM 72 C DIV A 5 -5.413 -0.569 -0.996 1.00 0.00 C HETATM 73 O DIV A 5 -4.248 -0.724 -1.377 1.00 0.00 O HETATM 74 2HN DIV A 5 -8.416 -1.682 -0.715 1.00 0.00 H HETATM 75 1HB1 DIV A 5 -5.333 -1.496 -3.485 1.00 0.00 H HETATM 76 2HB1 DIV A 5 -5.606 -2.971 -2.671 1.00 0.00 H HETATM 77 1HG1 DIV A 5 -7.563 -1.668 -4.659 1.00 0.00 H HETATM 78 2HG1 DIV A 5 -6.603 -3.143 -4.876 1.00 0.00 H HETATM 79 3HG1 DIV A 5 -7.944 -3.124 -3.700 1.00 0.00 H HETATM 80 1HB2 DIV A 5 -7.894 0.609 -1.538 1.00 0.00 H HETATM 81 2HB2 DIV A 5 -6.917 0.644 -3.017 1.00 0.00 H HETATM 82 3HB2 DIV A 5 -8.371 -0.369 -2.922 1.00 0.00 H ATOM 83 N ILE A 6 -5.682 0.110 0.148 1.00 0.00 N ATOM 84 CA ILE A 6 -4.618 0.621 1.075 1.00 0.00 C ATOM 85 C ILE A 6 -3.793 -0.530 1.763 1.00 0.00 C ATOM 86 O ILE A 6 -2.627 -0.291 2.078 1.00 0.00 O ATOM 87 CB ILE A 6 -5.190 1.702 2.071 1.00 0.00 C ATOM 88 CG1 ILE A 6 -5.814 2.930 1.330 1.00 0.00 C ATOM 89 CG2 ILE A 6 -4.134 2.224 3.090 1.00 0.00 C ATOM 90 CD1 ILE A 6 -6.710 3.850 2.173 1.00 0.00 C ATOM 91 H ILE A 6 -6.679 0.185 0.377 1.00 0.00 H ATOM 92 HA ILE A 6 -3.885 1.158 0.439 1.00 0.00 H ATOM 93 HB ILE A 6 -5.989 1.213 2.662 1.00 0.00 H ATOM 94 1HG1 ILE A 6 -5.017 3.531 0.853 1.00 0.00 H ATOM 95 2HG1 ILE A 6 -6.442 2.589 0.487 1.00 0.00 H ATOM 96 1HG2 ILE A 6 -3.245 2.654 2.589 1.00 0.00 H ATOM 97 2HG2 ILE A 6 -4.539 3.001 3.763 1.00 0.00 H ATOM 98 3HG2 ILE A 6 -3.775 1.419 3.757 1.00 0.00 H ATOM 99 1HD1 ILE A 6 -6.164 4.338 2.999 1.00 0.00 H ATOM 100 2HD1 ILE A 6 -7.129 4.660 1.550 1.00 0.00 H ATOM 101 3HD1 ILE A 6 -7.562 3.301 2.611 1.00 0.00 H ATOM 102 N THR A 7 -4.339 -1.752 1.955 1.00 0.00 N ATOM 103 CA THR A 7 -3.563 -2.950 2.383 1.00 0.00 C ATOM 104 C THR A 7 -2.561 -3.471 1.311 1.00 0.00 C ATOM 105 O THR A 7 -1.393 -3.633 1.663 1.00 0.00 O ATOM 106 CB THR A 7 -4.514 -4.030 2.980 1.00 0.00 C ATOM 107 OG1 THR A 7 -5.210 -3.485 4.096 1.00 0.00 O ATOM 108 CG2 THR A 7 -3.832 -5.320 3.477 1.00 0.00 C ATOM 109 H THR A 7 -5.318 -1.825 1.662 1.00 0.00 H ATOM 110 HA THR A 7 -2.929 -2.618 3.214 1.00 0.00 H ATOM 111 HB THR A 7 -5.257 -4.319 2.214 1.00 0.00 H ATOM 112 HG1 THR A 7 -5.576 -2.651 3.793 1.00 0.00 H ATOM 113 1HG2 THR A 7 -4.562 -5.982 3.980 1.00 0.00 H ATOM 114 2HG2 THR A 7 -3.394 -5.899 2.642 1.00 0.00 H ATOM 115 3HG2 THR A 7 -3.022 -5.110 4.201 1.00 0.00 H HETATM 116 N AIB A 8 -2.967 -3.701 0.040 1.00 0.00 N HETATM 117 CA AIB A 8 -2.014 -3.998 -1.094 1.00 0.00 C HETATM 118 C AIB A 8 -0.872 -2.915 -1.301 1.00 0.00 C HETATM 119 O1 AIB A 8 0.289 -3.239 -1.575 1.00 0.00 O HETATM 120 CB1 AIB A 8 -2.880 -4.041 -2.381 1.00 0.00 C HETATM 121 CB2 AIB A 8 -1.411 -5.424 -0.909 1.00 0.00 C HETATM 122 2HN AIB A 8 -3.943 -3.411 -0.131 1.00 0.00 H HETATM 123 1HB1 AIB A 8 -3.352 -3.063 -2.594 1.00 0.00 H HETATM 124 2HB1 AIB A 8 -2.283 -4.294 -3.277 1.00 0.00 H HETATM 125 3HB1 AIB A 8 -3.701 -4.784 -2.327 1.00 0.00 H HETATM 126 1HB2 AIB A 8 -2.184 -6.208 -0.789 1.00 0.00 H HETATM 127 2HB2 AIB A 8 -0.778 -5.725 -1.766 1.00 0.00 H HETATM 128 3HB2 AIB A 8 -0.761 -5.481 -0.016 1.00 0.00 H ATOM 129 N LEU A 9 -1.225 -1.624 -1.159 1.00 0.00 N ATOM 130 CA LEU A 9 -0.276 -0.479 -1.240 1.00 0.00 C ATOM 131 C LEU A 9 0.537 -0.164 0.063 1.00 0.00 C ATOM 132 O LEU A 9 1.511 0.588 -0.040 1.00 0.00 O ATOM 133 CB LEU A 9 -1.083 0.742 -1.767 1.00 0.00 C ATOM 134 CG LEU A 9 -1.441 0.694 -3.286 1.00 0.00 C ATOM 135 CD1 LEU A 9 -2.692 1.524 -3.632 1.00 0.00 C ATOM 136 CD2 LEU A 9 -0.249 1.131 -4.161 1.00 0.00 C ATOM 137 H LEU A 9 -2.200 -1.483 -0.870 1.00 0.00 H ATOM 138 HA LEU A 9 0.486 -0.695 -2.010 1.00 0.00 H ATOM 139 1HB LEU A 9 -1.999 0.858 -1.156 1.00 0.00 H ATOM 140 2HB LEU A 9 -0.518 1.670 -1.569 1.00 0.00 H ATOM 141 HG LEU A 9 -1.690 -0.346 -3.559 1.00 0.00 H ATOM 142 1HD1 LEU A 9 -2.575 2.593 -3.372 1.00 0.00 H ATOM 143 2HD1 LEU A 9 -2.927 1.470 -4.712 1.00 0.00 H ATOM 144 3HD1 LEU A 9 -3.590 1.153 -3.102 1.00 0.00 H ATOM 145 1HD2 LEU A 9 0.651 0.521 -3.967 1.00 0.00 H ATOM 146 2HD2 LEU A 9 -0.470 1.033 -5.242 1.00 0.00 H ATOM 147 3HD2 LEU A 9 0.030 2.185 -3.974 1.00 0.00 H HETATM 148 N AIB A 10 0.188 -0.723 1.254 1.00 0.00 N HETATM 149 CA AIB A 10 0.968 -0.602 2.532 1.00 0.00 C HETATM 150 C AIB A 10 2.444 -1.178 2.392 1.00 0.00 C HETATM 151 O1 AIB A 10 3.373 -0.412 2.657 1.00 0.00 O HETATM 152 CB1 AIB A 10 0.180 -1.356 3.643 1.00 0.00 C HETATM 153 CB2 AIB A 10 0.944 0.894 2.987 1.00 0.00 C HETATM 154 2HN AIB A 10 -0.575 -1.408 1.175 1.00 0.00 H HETATM 155 1HB1 AIB A 10 -0.041 -2.406 3.386 1.00 0.00 H HETATM 156 2HB1 AIB A 10 0.726 -1.380 4.608 1.00 0.00 H HETATM 157 3HB1 AIB A 10 -0.802 -0.891 3.858 1.00 0.00 H HETATM 158 1HB2 AIB A 10 -0.083 1.306 3.028 1.00 0.00 H HETATM 159 2HB2 AIB A 10 1.393 1.042 3.989 1.00 0.00 H HETATM 160 3HB2 AIB A 10 1.512 1.548 2.300 1.00 0.00 H HETATM 161 N HYP A 11 2.762 -2.436 1.926 1.00 0.00 N HETATM 162 CA HYP A 11 4.136 -2.824 1.495 1.00 0.00 C HETATM 163 C HYP A 11 4.739 -2.126 0.228 1.00 0.00 C HETATM 164 O HYP A 11 5.939 -2.307 -0.009 1.00 0.00 O HETATM 165 CB HYP A 11 4.025 -4.352 1.330 1.00 0.00 C HETATM 166 CG HYP A 11 2.562 -4.616 0.981 1.00 0.00 C HETATM 167 CD HYP A 11 1.804 -3.543 1.766 1.00 0.00 C HETATM 168 OD HYP A 11 2.158 -5.920 1.375 1.00 0.00 O HETATM 169 HA HYP A 11 4.834 -2.632 2.329 1.00 0.00 H HETATM 170 1HB HYP A 11 4.714 -4.771 0.574 1.00 0.00 H HETATM 171 2HB HYP A 11 4.278 -4.855 2.282 1.00 0.00 H HETATM 172 1HD HYP A 11 0.909 -3.245 1.208 1.00 0.00 H HETATM 173 2HD HYP A 11 1.500 -3.921 2.763 1.00 0.00 H HETATM 174 HOD HYP A 11 1.296 -5.822 1.787 1.00 0.00 H HETATM 175 HG HYP A 11 2.400 -4.480 -0.107 1.00 0.00 H ATOM 176 N GLN A 12 3.982 -1.295 -0.524 1.00 0.00 N ATOM 177 CA GLN A 12 4.546 -0.384 -1.560 1.00 0.00 C ATOM 178 C GLN A 12 4.812 1.082 -1.093 1.00 0.00 C ATOM 179 O GLN A 12 5.084 1.919 -1.955 1.00 0.00 O ATOM 180 CB GLN A 12 3.648 -0.391 -2.828 1.00 0.00 C ATOM 181 CG GLN A 12 3.342 -1.778 -3.429 1.00 0.00 C ATOM 182 CD GLN A 12 2.673 -1.699 -4.815 1.00 0.00 C ATOM 183 OE1 GLN A 12 3.220 -1.149 -5.768 1.00 0.00 O ATOM 184 NE2 GLN A 12 1.484 -2.252 -4.969 1.00 0.00 N ATOM 185 H GLN A 12 3.033 -1.116 -0.194 1.00 0.00 H ATOM 186 HA GLN A 12 5.543 -0.756 -1.842 1.00 0.00 H ATOM 187 1HB GLN A 12 2.693 0.127 -2.620 1.00 0.00 H ATOM 188 2HB GLN A 12 4.143 0.226 -3.596 1.00 0.00 H ATOM 189 1HG GLN A 12 4.280 -2.361 -3.500 1.00 0.00 H ATOM 190 2HG GLN A 12 2.708 -2.322 -2.694 1.00 0.00 H ATOM 191 1HE2 GLN A 12 1.084 -2.183 -5.911 1.00 0.00 H ATOM 192 2HE2 GLN A 12 1.082 -2.720 -4.147 1.00 0.00 H HETATM 193 N AIB A 13 4.801 1.388 0.227 1.00 0.00 N HETATM 194 CA AIB A 13 5.604 2.469 0.885 1.00 0.00 C HETATM 195 C AIB A 13 7.099 1.932 1.113 1.00 0.00 C HETATM 196 O1 AIB A 13 8.029 2.488 0.506 1.00 0.00 O HETATM 197 CB1 AIB A 13 4.829 2.829 2.194 1.00 0.00 C HETATM 198 CB2 AIB A 13 5.581 3.812 0.096 1.00 0.00 C HETATM 199 2HN AIB A 13 4.476 0.598 0.795 1.00 0.00 H HETATM 200 1HB1 AIB A 13 4.411 1.957 2.729 1.00 0.00 H HETATM 201 2HB1 AIB A 13 5.459 3.380 2.917 1.00 0.00 H HETATM 202 3HB1 AIB A 13 3.937 3.460 2.006 1.00 0.00 H HETATM 203 1HB2 AIB A 13 4.552 4.096 -0.197 1.00 0.00 H HETATM 204 2HB2 AIB A 13 6.011 4.644 0.676 1.00 0.00 H HETATM 205 3HB2 AIB A 13 6.171 3.745 -0.830 1.00 0.00 H HETATM 206 N HYP A 14 7.426 0.846 1.896 1.00 0.00 N HETATM 207 CA HYP A 14 8.811 0.338 2.060 1.00 0.00 C HETATM 208 C HYP A 14 9.525 -0.269 0.815 1.00 0.00 C HETATM 209 O HYP A 14 10.732 -0.048 0.701 1.00 0.00 O HETATM 210 CB HYP A 14 8.722 -0.679 3.217 1.00 0.00 C HETATM 211 CG HYP A 14 7.246 -1.025 3.418 1.00 0.00 C HETATM 212 CD HYP A 14 6.461 0.018 2.624 1.00 0.00 C HETATM 213 OD HYP A 14 6.897 -0.978 4.797 1.00 0.00 O HETATM 214 HA HYP A 14 9.434 1.180 2.418 1.00 0.00 H HETATM 215 1HB HYP A 14 9.302 -1.601 3.014 1.00 0.00 H HETATM 216 2HB HYP A 14 9.151 -0.241 4.140 1.00 0.00 H HETATM 217 1HD HYP A 14 5.792 -0.479 1.915 1.00 0.00 H HETATM 218 2HD HYP A 14 5.835 0.618 3.285 1.00 0.00 H HETATM 219 HOD HYP A 14 7.105 -0.087 5.088 1.00 0.00 H HETATM 220 HG HYP A 14 7.034 -2.038 3.029 1.00 0.00 H HETATM 221 N AIB A 15 8.845 -1.037 -0.080 1.00 0.00 N HETATM 222 CA AIB A 15 9.471 -1.647 -1.299 1.00 0.00 C HETATM 223 C AIB A 15 10.131 -0.576 -2.270 1.00 0.00 C HETATM 224 O1 AIB A 15 11.300 -0.770 -2.631 1.00 0.00 O HETATM 225 CB1 AIB A 15 8.391 -2.467 -2.052 1.00 0.00 C HETATM 226 CB2 AIB A 15 10.514 -2.707 -0.823 1.00 0.00 C HETATM 227 2HN AIB A 15 7.821 -0.959 -0.030 1.00 0.00 H HETATM 228 1HB1 AIB A 15 7.516 -1.867 -2.351 1.00 0.00 H HETATM 229 2HB1 AIB A 15 8.791 -2.918 -2.981 1.00 0.00 H HETATM 230 3HB1 AIB A 15 7.988 -3.297 -1.440 1.00 0.00 H HETATM 231 1HB2 AIB A 15 10.090 -3.424 -0.095 1.00 0.00 H HETATM 232 2HB2 AIB A 15 10.926 -3.289 -1.668 1.00 0.00 H HETATM 233 3HB2 AIB A 15 11.383 -2.231 -0.328 1.00 0.00 H ATOM 234 N PRO A 16 9.520 0.587 -2.677 1.00 0.00 N ATOM 235 CA PRO A 16 10.280 1.734 -3.238 1.00 0.00 C ATOM 236 C PRO A 16 11.213 2.518 -2.272 1.00 0.00 C ATOM 237 O PRO A 16 12.200 3.082 -2.750 1.00 0.00 O ATOM 238 CB PRO A 16 9.191 2.609 -3.885 1.00 0.00 C ATOM 239 CG PRO A 16 7.915 2.309 -3.102 1.00 0.00 C ATOM 240 CD PRO A 16 8.102 0.922 -2.469 1.00 0.00 C ATOM 241 HA PRO A 16 10.937 1.352 -4.023 1.00 0.00 H ATOM 242 1HB PRO A 16 9.432 3.688 -3.880 1.00 0.00 H ATOM 243 2HB PRO A 16 9.053 2.331 -4.947 1.00 0.00 H ATOM 244 1HG PRO A 16 7.789 3.066 -2.307 1.00 0.00 H ATOM 245 2HG PRO A 16 7.017 2.369 -3.742 1.00 0.00 H ATOM 246 1HD PRO A 16 7.851 0.970 -1.401 1.00 0.00 H ATOM 247 2HD PRO A 16 7.433 0.157 -2.892 1.00 0.00 H HETATM 248 N PHL A 17 10.896 2.589 -0.965 1.00 0.00 N HETATM 249 CA PHL A 17 11.585 3.523 -0.032 1.00 0.00 C HETATM 250 C PHL A 17 12.084 2.795 1.234 1.00 0.00 C HETATM 251 O PHL A 17 13.074 1.825 0.919 1.00 0.00 O HETATM 252 CB PHL A 17 10.622 4.686 0.331 1.00 0.00 C HETATM 253 CG PHL A 17 10.129 5.565 -0.842 1.00 0.00 C HETATM 254 CD1 PHL A 17 8.761 5.654 -1.119 1.00 0.00 C HETATM 255 CD2 PHL A 17 11.040 6.223 -1.679 1.00 0.00 C HETATM 256 CE1 PHL A 17 8.310 6.382 -2.216 1.00 0.00 C HETATM 257 CE2 PHL A 17 10.588 6.948 -2.778 1.00 0.00 C HETATM 258 CZ PHL A 17 9.223 7.032 -3.042 1.00 0.00 C HETATM 259 H1 PHL A 17 11.251 2.314 1.773 1.00 0.00 H HETATM 260 H2 PHL A 17 12.524 3.523 1.944 1.00 0.00 H HETATM 261 HO PHL A 17 13.390 1.489 1.761 1.00 0.00 H HETATM 262 HA PHL A 17 12.485 3.971 -0.500 1.00 0.00 H HETATM 263 2HN PHL A 17 10.006 2.120 -0.730 1.00 0.00 H HETATM 264 1HB PHL A 17 9.764 4.247 0.873 1.00 0.00 H HETATM 265 2HB PHL A 17 11.118 5.348 1.066 1.00 0.00 H HETATM 266 HD1 PHL A 17 8.045 5.141 -0.496 1.00 0.00 H HETATM 267 HD2 PHL A 17 12.103 6.140 -1.503 1.00 0.00 H HETATM 268 HE1 PHL A 17 7.253 6.435 -2.429 1.00 0.00 H HETATM 269 HE2 PHL A 17 11.295 7.438 -3.429 1.00 0.00 H HETATM 270 HZ PHL A 17 8.873 7.599 -3.892 1.00 0.00 H TER 271 PHL A 17 ENDMDL MODEL 2 HETATM 1 C ACE A 1 -11.744 -1.423 -1.037 1.00 0.00 C HETATM 2 O ACE A 1 -10.626 -1.764 -1.433 1.00 0.00 O HETATM 3 CH3 ACE A 1 -12.941 -2.359 -1.219 1.00 0.00 C HETATM 4 1H ACE A 1 -13.910 -1.824 -1.236 1.00 0.00 H HETATM 5 2H ACE A 1 -12.860 -2.919 -2.169 1.00 0.00 H HETATM 6 3H ACE A 1 -12.985 -3.102 -0.402 1.00 0.00 H ATOM 7 N TRP A 2 -11.983 -0.264 -0.401 1.00 0.00 N ATOM 8 CA TRP A 2 -10.891 0.696 -0.046 1.00 0.00 C ATOM 9 C TRP A 2 -9.936 0.255 1.106 1.00 0.00 C ATOM 10 O TRP A 2 -8.796 0.729 1.124 1.00 0.00 O ATOM 11 CB TRP A 2 -11.454 2.119 0.233 1.00 0.00 C ATOM 12 CG TRP A 2 -11.892 2.906 -1.011 1.00 0.00 C ATOM 13 CD1 TRP A 2 -13.212 3.284 -1.332 1.00 0.00 C ATOM 14 CD2 TRP A 2 -11.096 3.448 -2.010 1.00 0.00 C ATOM 15 NE1 TRP A 2 -13.263 4.047 -2.514 1.00 0.00 N ATOM 16 CE2 TRP A 2 -11.940 4.139 -2.916 1.00 0.00 C ATOM 17 CE3 TRP A 2 -9.691 3.418 -2.218 1.00 0.00 C ATOM 18 CZ2 TRP A 2 -11.385 4.811 -4.032 1.00 0.00 C ATOM 19 CZ3 TRP A 2 -9.169 4.080 -3.331 1.00 0.00 C ATOM 20 CH2 TRP A 2 -10.003 4.766 -4.223 1.00 0.00 C ATOM 21 H TRP A 2 -12.950 -0.134 -0.084 1.00 0.00 H ATOM 22 HA TRP A 2 -10.242 0.788 -0.937 1.00 0.00 H ATOM 23 1HB TRP A 2 -12.277 2.070 0.974 1.00 0.00 H ATOM 24 2HB TRP A 2 -10.684 2.739 0.732 1.00 0.00 H ATOM 25 HD1 TRP A 2 -14.080 3.041 -0.736 1.00 0.00 H ATOM 26 HE1 TRP A 2 -14.088 4.463 -2.962 1.00 0.00 H ATOM 27 HE3 TRP A 2 -9.033 2.898 -1.536 1.00 0.00 H ATOM 28 HZ2 TRP A 2 -12.014 5.355 -4.721 1.00 0.00 H ATOM 29 HZ3 TRP A 2 -8.103 4.066 -3.506 1.00 0.00 H ATOM 30 HH2 TRP A 2 -9.568 5.273 -5.073 1.00 0.00 H ATOM 31 N ILE A 3 -10.346 -0.630 2.041 1.00 0.00 N ATOM 32 CA ILE A 3 -9.441 -1.190 3.088 1.00 0.00 C ATOM 33 C ILE A 3 -8.486 -2.279 2.513 1.00 0.00 C ATOM 34 O ILE A 3 -7.286 -2.184 2.780 1.00 0.00 O ATOM 35 CB ILE A 3 -10.175 -1.628 4.416 1.00 0.00 C ATOM 36 CG1 ILE A 3 -11.180 -0.594 5.026 1.00 0.00 C ATOM 37 CG2 ILE A 3 -9.164 -2.000 5.536 1.00 0.00 C ATOM 38 CD1 ILE A 3 -12.608 -0.644 4.457 1.00 0.00 C ATOM 39 H ILE A 3 -11.312 -0.959 1.925 1.00 0.00 H ATOM 40 HA ILE A 3 -8.752 -0.365 3.345 1.00 0.00 H ATOM 41 HB ILE A 3 -10.740 -2.556 4.199 1.00 0.00 H ATOM 42 1HG1 ILE A 3 -11.295 -0.752 6.115 1.00 0.00 H ATOM 43 2HG1 ILE A 3 -10.776 0.431 4.938 1.00 0.00 H ATOM 44 1HG2 ILE A 3 -8.541 -1.137 5.835 1.00 0.00 H ATOM 45 2HG2 ILE A 3 -9.673 -2.371 6.446 1.00 0.00 H ATOM 46 3HG2 ILE A 3 -8.476 -2.808 5.226 1.00 0.00 H ATOM 47 1HD1 ILE A 3 -13.053 -1.651 4.563 1.00 0.00 H ATOM 48 2HD1 ILE A 3 -13.269 0.060 4.994 1.00 0.00 H ATOM 49 3HD1 ILE A 3 -12.649 -0.371 3.388 1.00 0.00 H ATOM 50 N GLN A 4 -8.958 -3.251 1.706 1.00 0.00 N ATOM 51 CA GLN A 4 -8.053 -4.111 0.887 1.00 0.00 C ATOM 52 C GLN A 4 -7.073 -3.363 -0.063 1.00 0.00 C ATOM 53 O GLN A 4 -5.911 -3.763 -0.147 1.00 0.00 O ATOM 54 CB GLN A 4 -8.817 -5.240 0.151 1.00 0.00 C ATOM 55 CG GLN A 4 -9.872 -4.880 -0.924 1.00 0.00 C ATOM 56 CD GLN A 4 -10.451 -6.096 -1.677 1.00 0.00 C ATOM 57 OE1 GLN A 4 -9.834 -7.156 -1.804 1.00 0.00 O ATOM 58 NE2 GLN A 4 -11.648 -5.962 -2.223 1.00 0.00 N ATOM 59 H GLN A 4 -9.962 -3.191 1.513 1.00 0.00 H ATOM 60 HA GLN A 4 -7.398 -4.633 1.614 1.00 0.00 H ATOM 61 1HB GLN A 4 -8.061 -5.905 -0.312 1.00 0.00 H ATOM 62 2HB GLN A 4 -9.300 -5.885 0.908 1.00 0.00 H ATOM 63 1HG GLN A 4 -10.686 -4.304 -0.443 1.00 0.00 H ATOM 64 2HG GLN A 4 -9.428 -4.199 -1.672 1.00 0.00 H ATOM 65 1HE2 GLN A 4 -12.027 -6.786 -2.703 1.00 0.00 H ATOM 66 2HE2 GLN A 4 -12.096 -5.044 -2.132 1.00 0.00 H HETATM 67 N DIV A 5 -7.536 -2.288 -0.742 1.00 0.00 N HETATM 68 CA DIV A 5 -6.723 -1.415 -1.635 1.00 0.00 C HETATM 69 CB1 DIV A 5 -6.226 -2.280 -2.842 1.00 0.00 C HETATM 70 CG1 DIV A 5 -7.217 -2.827 -3.891 1.00 0.00 C HETATM 71 CB2 DIV A 5 -7.667 -0.295 -2.165 1.00 0.00 C HETATM 72 C DIV A 5 -5.516 -0.719 -0.871 1.00 0.00 C HETATM 73 O DIV A 5 -4.350 -0.891 -1.243 1.00 0.00 O HETATM 74 2HN DIV A 5 -8.512 -2.078 -0.542 1.00 0.00 H HETATM 75 1HB1 DIV A 5 -5.479 -1.678 -3.344 1.00 0.00 H HETATM 76 2HB1 DIV A 5 -5.637 -3.141 -2.484 1.00 0.00 H HETATM 77 1HG1 DIV A 5 -7.755 -2.023 -4.426 1.00 0.00 H HETATM 78 2HG1 DIV A 5 -6.677 -3.415 -4.657 1.00 0.00 H HETATM 79 3HG1 DIV A 5 -7.971 -3.487 -3.431 1.00 0.00 H HETATM 80 1HB2 DIV A 5 -8.065 0.341 -1.355 1.00 0.00 H HETATM 81 2HB2 DIV A 5 -7.151 0.385 -2.868 1.00 0.00 H HETATM 82 3HB2 DIV A 5 -8.554 -0.686 -2.700 1.00 0.00 H ATOM 83 N ILE A 6 -5.786 0.031 0.224 1.00 0.00 N ATOM 84 CA ILE A 6 -4.736 0.621 1.119 1.00 0.00 C ATOM 85 C ILE A 6 -3.828 -0.442 1.841 1.00 0.00 C ATOM 86 O ILE A 6 -2.678 -0.125 2.141 1.00 0.00 O ATOM 87 CB ILE A 6 -5.396 1.679 2.087 1.00 0.00 C ATOM 88 CG1 ILE A 6 -6.144 2.852 1.370 1.00 0.00 C ATOM 89 CG2 ILE A 6 -4.442 2.288 3.148 1.00 0.00 C ATOM 90 CD1 ILE A 6 -5.324 3.759 0.435 1.00 0.00 C ATOM 91 H ILE A 6 -6.784 0.102 0.455 1.00 0.00 H ATOM 92 HA ILE A 6 -4.042 1.185 0.467 1.00 0.00 H ATOM 93 HB ILE A 6 -6.170 1.135 2.667 1.00 0.00 H ATOM 94 1HG1 ILE A 6 -6.987 2.446 0.782 1.00 0.00 H ATOM 95 2HG1 ILE A 6 -6.637 3.490 2.131 1.00 0.00 H ATOM 96 1HG2 ILE A 6 -3.560 2.772 2.688 1.00 0.00 H ATOM 97 2HG2 ILE A 6 -4.946 3.052 3.772 1.00 0.00 H ATOM 98 3HG2 ILE A 6 -4.061 1.523 3.849 1.00 0.00 H ATOM 99 1HD1 ILE A 6 -4.902 3.197 -0.418 1.00 0.00 H ATOM 100 2HD1 ILE A 6 -5.959 4.559 0.011 1.00 0.00 H ATOM 101 3HD1 ILE A 6 -4.488 4.255 0.961 1.00 0.00 H ATOM 102 N THR A 7 -4.313 -1.679 2.085 1.00 0.00 N ATOM 103 CA THR A 7 -3.484 -2.807 2.589 1.00 0.00 C ATOM 104 C THR A 7 -2.508 -3.392 1.530 1.00 0.00 C ATOM 105 O THR A 7 -1.343 -3.580 1.886 1.00 0.00 O ATOM 106 CB THR A 7 -4.393 -3.861 3.287 1.00 0.00 C ATOM 107 OG1 THR A 7 -5.107 -3.234 4.350 1.00 0.00 O ATOM 108 CG2 THR A 7 -3.654 -5.061 3.909 1.00 0.00 C ATOM 109 H THR A 7 -5.265 -1.832 1.743 1.00 0.00 H ATOM 110 HA THR A 7 -2.839 -2.402 3.383 1.00 0.00 H ATOM 111 HB THR A 7 -5.126 -4.253 2.557 1.00 0.00 H ATOM 112 HG1 THR A 7 -5.346 -2.363 4.022 1.00 0.00 H ATOM 113 1HG2 THR A 7 -4.353 -5.730 4.444 1.00 0.00 H ATOM 114 2HG2 THR A 7 -3.147 -5.672 3.141 1.00 0.00 H ATOM 115 3HG2 THR A 7 -2.888 -4.739 4.639 1.00 0.00 H HETATM 116 N AIB A 8 -2.913 -3.652 0.264 1.00 0.00 N HETATM 117 CA AIB A 8 -1.969 -3.981 -0.864 1.00 0.00 C HETATM 118 C AIB A 8 -0.848 -2.889 -1.119 1.00 0.00 C HETATM 119 O1 AIB A 8 0.311 -3.205 -1.407 1.00 0.00 O HETATM 120 CB1 AIB A 8 -2.838 -4.080 -2.145 1.00 0.00 C HETATM 121 CB2 AIB A 8 -1.349 -5.393 -0.637 1.00 0.00 C HETATM 122 2HN AIB A 8 -3.865 -3.304 0.073 1.00 0.00 H HETATM 123 1HB1 AIB A 8 -3.314 -3.115 -2.400 1.00 0.00 H HETATM 124 2HB1 AIB A 8 -2.232 -4.368 -3.026 1.00 0.00 H HETATM 125 3HB1 AIB A 8 -3.652 -4.826 -2.056 1.00 0.00 H HETATM 126 1HB2 AIB A 8 -2.114 -6.177 -0.476 1.00 0.00 H HETATM 127 2HB2 AIB A 8 -0.736 -5.716 -1.499 1.00 0.00 H HETATM 128 3HB2 AIB A 8 -0.679 -5.415 0.242 1.00 0.00 H ATOM 129 N LEU A 9 -1.221 -1.600 -1.000 1.00 0.00 N ATOM 130 CA LEU A 9 -0.290 -0.442 -1.089 1.00 0.00 C ATOM 131 C LEU A 9 0.541 -0.124 0.199 1.00 0.00 C ATOM 132 O LEU A 9 1.511 0.634 0.080 1.00 0.00 O ATOM 133 CB LEU A 9 -1.131 0.773 -1.576 1.00 0.00 C ATOM 134 CG LEU A 9 -1.566 0.723 -3.076 1.00 0.00 C ATOM 135 CD1 LEU A 9 -2.854 1.526 -3.342 1.00 0.00 C ATOM 136 CD2 LEU A 9 -0.436 1.196 -4.014 1.00 0.00 C ATOM 137 H LEU A 9 -2.198 -1.474 -0.716 1.00 0.00 H ATOM 138 HA LEU A 9 0.455 -0.639 -1.878 1.00 0.00 H ATOM 139 1HB LEU A 9 -2.018 0.877 -0.919 1.00 0.00 H ATOM 140 2HB LEU A 9 -0.566 1.709 -1.404 1.00 0.00 H ATOM 141 HG LEU A 9 -1.805 -0.323 -3.344 1.00 0.00 H ATOM 142 1HD1 LEU A 9 -2.735 2.602 -3.121 1.00 0.00 H ATOM 143 2HD1 LEU A 9 -3.173 1.436 -4.399 1.00 0.00 H ATOM 144 3HD1 LEU A 9 -3.698 1.156 -2.731 1.00 0.00 H ATOM 145 1HD2 LEU A 9 0.492 0.612 -3.869 1.00 0.00 H ATOM 146 2HD2 LEU A 9 -0.714 1.091 -5.079 1.00 0.00 H ATOM 147 3HD2 LEU A 9 -0.177 2.258 -3.843 1.00 0.00 H HETATM 148 N AIB A 10 0.214 -0.686 1.397 1.00 0.00 N HETATM 149 CA AIB A 10 1.020 -0.572 2.660 1.00 0.00 C HETATM 150 C AIB A 10 2.496 -1.146 2.485 1.00 0.00 C HETATM 151 O1 AIB A 10 3.429 -0.371 2.725 1.00 0.00 O HETATM 152 CB1 AIB A 10 0.255 -1.326 3.786 1.00 0.00 C HETATM 153 CB2 AIB A 10 1.002 0.925 3.119 1.00 0.00 C HETATM 154 2HN AIB A 10 -0.562 -1.361 1.337 1.00 0.00 H HETATM 155 1HB1 AIB A 10 0.069 -2.386 3.553 1.00 0.00 H HETATM 156 2HB1 AIB A 10 0.802 -1.314 4.748 1.00 0.00 H HETATM 157 3HB1 AIB A 10 -0.742 -0.888 3.987 1.00 0.00 H HETATM 158 1HB2 AIB A 10 -0.028 1.329 3.201 1.00 0.00 H HETATM 159 2HB2 AIB A 10 1.488 1.072 4.104 1.00 0.00 H HETATM 160 3HB2 AIB A 10 1.539 1.590 2.414 1.00 0.00 H HETATM 161 N HYP A 11 2.812 -2.399 2.004 1.00 0.00 N HETATM 162 CA HYP A 11 4.181 -2.776 1.548 1.00 0.00 C HETATM 163 C HYP A 11 4.753 -2.085 0.261 1.00 0.00 C HETATM 164 O HYP A 11 5.943 -2.267 -0.005 1.00 0.00 O HETATM 165 CB HYP A 11 4.076 -4.308 1.406 1.00 0.00 C HETATM 166 CG HYP A 11 2.612 -4.578 1.062 1.00 0.00 C HETATM 167 CD HYP A 11 1.856 -3.510 1.850 1.00 0.00 C HETATM 168 OD HYP A 11 2.221 -5.889 1.450 1.00 0.00 O HETATM 169 HA HYP A 11 4.894 -2.573 2.370 1.00 0.00 H HETATM 170 1HB HYP A 11 4.771 -4.735 0.656 1.00 0.00 H HETATM 171 2HB HYP A 11 4.331 -4.795 2.371 1.00 0.00 H HETATM 172 1HD HYP A 11 0.952 -3.217 1.298 1.00 0.00 H HETATM 173 2HD HYP A 11 1.564 -3.889 2.849 1.00 0.00 H HETATM 174 HOD HYP A 11 1.412 -5.786 1.957 1.00 0.00 H HETATM 175 HG HYP A 11 2.450 -4.443 -0.025 1.00 0.00 H ATOM 176 N GLN A 12 3.978 -1.253 -0.477 1.00 0.00 N ATOM 177 CA GLN A 12 4.518 -0.344 -1.521 1.00 0.00 C ATOM 178 C GLN A 12 4.808 1.119 -1.054 1.00 0.00 C ATOM 179 O GLN A 12 5.066 1.958 -1.918 1.00 0.00 O ATOM 180 CB GLN A 12 3.585 -0.341 -2.767 1.00 0.00 C ATOM 181 CG GLN A 12 3.251 -1.721 -3.369 1.00 0.00 C ATOM 182 CD GLN A 12 2.569 -1.627 -4.748 1.00 0.00 C ATOM 183 OE1 GLN A 12 3.121 -1.096 -5.710 1.00 0.00 O ATOM 184 NE2 GLN A 12 1.361 -2.156 -4.889 1.00 0.00 N ATOM 185 H GLN A 12 3.033 -1.079 -0.128 1.00 0.00 H ATOM 186 HA GLN A 12 5.503 -0.725 -1.835 1.00 0.00 H ATOM 187 1HB GLN A 12 2.642 0.189 -2.530 1.00 0.00 H ATOM 188 2HB GLN A 12 4.066 0.277 -3.552 1.00 0.00 H ATOM 189 1HG GLN A 12 4.181 -2.314 -3.461 1.00 0.00 H ATOM 190 2HG GLN A 12 2.628 -2.259 -2.628 1.00 0.00 H ATOM 191 1HE2 GLN A 12 0.962 -2.109 -5.833 1.00 0.00 H ATOM 192 2HE2 GLN A 12 0.960 -2.627 -4.071 1.00 0.00 H HETATM 193 N AIB A 13 4.831 1.423 0.268 1.00 0.00 N HETATM 194 CA AIB A 13 5.650 2.502 0.907 1.00 0.00 C HETATM 195 C AIB A 13 7.155 1.977 1.079 1.00 0.00 C HETATM 196 O1 AIB A 13 8.059 2.547 0.442 1.00 0.00 O HETATM 197 CB1 AIB A 13 4.922 2.851 2.245 1.00 0.00 C HETATM 198 CB2 AIB A 13 5.583 3.852 0.133 1.00 0.00 C HETATM 199 2HN AIB A 13 4.527 0.629 0.843 1.00 0.00 H HETATM 200 1HB1 AIB A 13 4.550 1.978 2.807 1.00 0.00 H HETATM 201 2HB1 AIB A 13 5.573 3.425 2.934 1.00 0.00 H HETATM 202 3HB1 AIB A 13 4.008 3.460 2.090 1.00 0.00 H HETATM 203 1HB2 AIB A 13 4.536 4.123 -0.119 1.00 0.00 H HETATM 204 2HB2 AIB A 13 6.024 4.687 0.702 1.00 0.00 H HETATM 205 3HB2 AIB A 13 6.135 3.803 -0.821 1.00 0.00 H HETATM 206 N HYP A 14 7.519 0.882 1.835 1.00 0.00 N HETATM 207 CA HYP A 14 8.911 0.378 1.943 1.00 0.00 C HETATM 208 C HYP A 14 9.576 -0.230 0.669 1.00 0.00 C HETATM 209 O HYP A 14 10.781 -0.014 0.512 1.00 0.00 O HETATM 210 CB HYP A 14 8.875 -0.637 3.105 1.00 0.00 C HETATM 211 CG HYP A 14 7.413 -0.988 3.373 1.00 0.00 C HETATM 212 CD HYP A 14 6.589 0.042 2.601 1.00 0.00 C HETATM 213 OD HYP A 14 7.128 -0.916 4.766 1.00 0.00 O HETATM 214 HA HYP A 14 9.545 1.228 2.273 1.00 0.00 H HETATM 215 1HB HYP A 14 9.457 -1.552 2.883 1.00 0.00 H HETATM 216 2HB HYP A 14 9.341 -0.186 4.004 1.00 0.00 H HETATM 217 1HD HYP A 14 5.896 -0.461 1.922 1.00 0.00 H HETATM 218 2HD HYP A 14 5.975 0.633 3.282 1.00 0.00 H HETATM 219 HOD HYP A 14 7.380 -0.029 5.037 1.00 0.00 H HETATM 220 HG HYP A 14 7.187 -2.007 3.010 1.00 0.00 H HETATM 221 N AIB A 15 8.863 -1.001 -0.200 1.00 0.00 N HETATM 222 CA AIB A 15 9.436 -1.608 -1.448 1.00 0.00 C HETATM 223 C AIB A 15 10.052 -0.540 -2.453 1.00 0.00 C HETATM 224 O1 AIB A 15 11.183 -0.760 -2.904 1.00 0.00 O HETATM 225 CB1 AIB A 15 8.316 -2.419 -2.151 1.00 0.00 C HETATM 226 CB2 AIB A 15 10.503 -2.665 -1.028 1.00 0.00 C HETATM 227 2HN AIB A 15 7.842 -0.939 -0.097 1.00 0.00 H HETATM 228 1HB1 AIB A 15 7.433 -1.813 -2.413 1.00 0.00 H HETATM 229 2HB1 AIB A 15 8.671 -2.877 -3.095 1.00 0.00 H HETATM 230 3HB1 AIB A 15 7.937 -3.244 -1.518 1.00 0.00 H HETATM 231 1HB2 AIB A 15 10.124 -3.380 -0.277 1.00 0.00 H HETATM 232 2HB2 AIB A 15 10.865 -3.248 -1.894 1.00 0.00 H HETATM 233 3HB2 AIB A 15 11.397 -2.184 -0.588 1.00 0.00 H ATOM 234 N PRO A 16 9.446 0.641 -2.804 1.00 0.00 N ATOM 235 CA PRO A 16 10.197 1.785 -3.373 1.00 0.00 C ATOM 236 C PRO A 16 11.176 2.534 -2.427 1.00 0.00 C ATOM 237 O PRO A 16 12.175 3.067 -2.927 1.00 0.00 O ATOM 238 CB PRO A 16 9.098 2.689 -3.959 1.00 0.00 C ATOM 239 CG PRO A 16 7.842 2.385 -3.147 1.00 0.00 C ATOM 240 CD PRO A 16 8.044 0.996 -2.525 1.00 0.00 C ATOM 241 HA PRO A 16 10.815 1.412 -4.190 1.00 0.00 H ATOM 242 1HB PRO A 16 9.352 3.767 -3.932 1.00 0.00 H ATOM 243 2HB PRO A 16 8.924 2.442 -5.023 1.00 0.00 H ATOM 244 1HG PRO A 16 7.733 3.138 -2.347 1.00 0.00 H ATOM 245 2HG PRO A 16 6.932 2.447 -3.768 1.00 0.00 H ATOM 246 1HD PRO A 16 7.853 1.043 -1.448 1.00 0.00 H ATOM 247 2HD PRO A 16 7.343 0.237 -2.912 1.00 0.00 H HETATM 248 N PHL A 17 10.887 2.619 -1.114 1.00 0.00 N HETATM 249 CA PHL A 17 11.605 3.549 -0.201 1.00 0.00 C HETATM 250 C PHL A 17 12.166 2.794 1.018 1.00 0.00 C HETATM 251 O PHL A 17 12.939 3.656 1.840 1.00 0.00 O HETATM 252 CB PHL A 17 10.654 4.710 0.203 1.00 0.00 C HETATM 253 CG PHL A 17 10.122 5.598 -0.943 1.00 0.00 C HETATM 254 CD1 PHL A 17 11.004 6.221 -1.836 1.00 0.00 C HETATM 255 CD2 PHL A 17 8.741 5.730 -1.146 1.00 0.00 C HETATM 256 CE1 PHL A 17 10.515 6.945 -2.920 1.00 0.00 C HETATM 257 CE2 PHL A 17 8.254 6.461 -2.226 1.00 0.00 C HETATM 258 CZ PHL A 17 9.141 7.067 -3.111 1.00 0.00 C HETATM 259 H1 PHL A 17 12.805 1.951 0.697 1.00 0.00 H HETATM 260 H2 PHL A 17 11.355 2.346 1.617 1.00 0.00 H HETATM 261 HO PHL A 17 13.627 3.113 2.229 1.00 0.00 H HETATM 262 HA PHL A 17 12.483 4.000 -0.702 1.00 0.00 H HETATM 263 2HN PHL A 17 9.994 2.163 -0.861 1.00 0.00 H HETATM 264 1HB PHL A 17 9.814 4.271 0.775 1.00 0.00 H HETATM 265 2HB PHL A 17 11.175 5.370 0.924 1.00 0.00 H HETATM 266 HD1 PHL A 17 12.071 6.105 -1.712 1.00 0.00 H HETATM 267 HD2 PHL A 17 8.045 5.245 -0.476 1.00 0.00 H HETATM 268 HE1 PHL A 17 11.202 7.399 -3.616 1.00 0.00 H HETATM 269 HE2 PHL A 17 7.190 6.546 -2.378 1.00 0.00 H HETATM 270 HZ PHL A 17 8.763 7.627 -3.952 1.00 0.00 H TER 271 PHL A 17 ENDMDL MODEL 3 HETATM 1 C ACE A 1 -11.573 -1.351 -1.288 1.00 0.00 C HETATM 2 O ACE A 1 -10.414 -1.594 -1.635 1.00 0.00 O HETATM 3 CH3 ACE A 1 -12.720 -2.262 -1.727 1.00 0.00 C HETATM 4 1H ACE A 1 -13.576 -1.686 -2.124 1.00 0.00 H HETATM 5 2H ACE A 1 -12.393 -2.955 -2.524 1.00 0.00 H HETATM 6 3H ACE A 1 -13.087 -2.880 -0.886 1.00 0.00 H ATOM 7 N TRP A 2 -11.914 -0.312 -0.511 1.00 0.00 N ATOM 8 CA TRP A 2 -10.924 0.703 -0.034 1.00 0.00 C ATOM 9 C TRP A 2 -9.962 0.218 1.096 1.00 0.00 C ATOM 10 O TRP A 2 -8.805 0.644 1.091 1.00 0.00 O ATOM 11 CB TRP A 2 -11.621 2.028 0.386 1.00 0.00 C ATOM 12 CG TRP A 2 -12.301 2.809 -0.752 1.00 0.00 C ATOM 13 CD1 TRP A 2 -13.641 2.657 -1.170 1.00 0.00 C ATOM 14 CD2 TRP A 2 -11.771 3.804 -1.558 1.00 0.00 C ATOM 15 NE1 TRP A 2 -13.962 3.530 -2.225 1.00 0.00 N ATOM 16 CE2 TRP A 2 -12.791 4.238 -2.444 1.00 0.00 C ATOM 17 CE3 TRP A 2 -10.484 4.401 -1.599 1.00 0.00 C ATOM 18 CZ2 TRP A 2 -12.533 5.278 -3.370 1.00 0.00 C ATOM 19 CZ3 TRP A 2 -10.253 5.423 -2.522 1.00 0.00 C ATOM 20 CH2 TRP A 2 -11.262 5.854 -3.394 1.00 0.00 C ATOM 21 H TRP A 2 -12.913 -0.252 -0.283 1.00 0.00 H ATOM 22 HA TRP A 2 -10.272 0.959 -0.893 1.00 0.00 H ATOM 23 1HB TRP A 2 -12.349 1.837 1.198 1.00 0.00 H ATOM 24 2HB TRP A 2 -10.875 2.703 0.849 1.00 0.00 H ATOM 25 HD1 TRP A 2 -14.340 1.954 -0.739 1.00 0.00 H ATOM 26 HE1 TRP A 2 -14.858 3.626 -2.716 1.00 0.00 H ATOM 27 HE3 TRP A 2 -9.697 4.084 -0.929 1.00 0.00 H ATOM 28 HZ2 TRP A 2 -13.304 5.629 -4.041 1.00 0.00 H ATOM 29 HZ3 TRP A 2 -9.282 5.894 -2.563 1.00 0.00 H ATOM 30 HH2 TRP A 2 -11.054 6.651 -4.093 1.00 0.00 H ATOM 31 N ILE A 3 -10.397 -0.648 2.043 1.00 0.00 N ATOM 32 CA ILE A 3 -9.496 -1.215 3.095 1.00 0.00 C ATOM 33 C ILE A 3 -8.527 -2.302 2.536 1.00 0.00 C ATOM 34 O ILE A 3 -7.333 -2.215 2.835 1.00 0.00 O ATOM 35 CB ILE A 3 -10.240 -1.638 4.421 1.00 0.00 C ATOM 36 CG1 ILE A 3 -11.240 -0.579 4.993 1.00 0.00 C ATOM 37 CG2 ILE A 3 -9.247 -2.010 5.555 1.00 0.00 C ATOM 38 CD1 ILE A 3 -12.700 -0.787 4.559 1.00 0.00 C ATOM 39 H ILE A 3 -11.377 -0.938 1.955 1.00 0.00 H ATOM 40 HA ILE A 3 -8.820 -0.387 3.361 1.00 0.00 H ATOM 41 HB ILE A 3 -10.803 -2.567 4.205 1.00 0.00 H ATOM 42 1HG1 ILE A 3 -11.250 -0.578 6.100 1.00 0.00 H ATOM 43 2HG1 ILE A 3 -10.913 0.443 4.726 1.00 0.00 H ATOM 44 1HG2 ILE A 3 -8.608 -1.155 5.843 1.00 0.00 H ATOM 45 2HG2 ILE A 3 -9.778 -2.347 6.466 1.00 0.00 H ATOM 46 3HG2 ILE A 3 -8.577 -2.840 5.268 1.00 0.00 H ATOM 47 1HD1 ILE A 3 -13.091 -1.756 4.923 1.00 0.00 H ATOM 48 2HD1 ILE A 3 -13.354 0.001 4.974 1.00 0.00 H ATOM 49 3HD1 ILE A 3 -12.819 -0.770 3.461 1.00 0.00 H ATOM 50 N GLN A 4 -8.993 -3.264 1.707 1.00 0.00 N ATOM 51 CA GLN A 4 -8.085 -4.129 0.896 1.00 0.00 C ATOM 52 C GLN A 4 -7.052 -3.390 -0.006 1.00 0.00 C ATOM 53 O GLN A 4 -5.896 -3.812 -0.042 1.00 0.00 O ATOM 54 CB GLN A 4 -8.872 -5.210 0.110 1.00 0.00 C ATOM 55 CG GLN A 4 -9.915 -4.766 -0.949 1.00 0.00 C ATOM 56 CD GLN A 4 -10.532 -5.949 -1.715 1.00 0.00 C ATOM 57 OE1 GLN A 4 -9.901 -6.538 -2.594 1.00 0.00 O ATOM 58 NE2 GLN A 4 -11.763 -6.328 -1.404 1.00 0.00 N ATOM 59 H GLN A 4 -9.991 -3.184 1.483 1.00 0.00 H ATOM 60 HA GLN A 4 -7.465 -4.696 1.621 1.00 0.00 H ATOM 61 1HB GLN A 4 -8.141 -5.884 -0.381 1.00 0.00 H ATOM 62 2HB GLN A 4 -9.383 -5.865 0.841 1.00 0.00 H ATOM 63 1HG GLN A 4 -10.702 -4.154 -0.465 1.00 0.00 H ATOM 64 2HG GLN A 4 -9.443 -4.096 -1.687 1.00 0.00 H ATOM 65 1HE2 GLN A 4 -12.131 -7.144 -1.907 1.00 0.00 H ATOM 66 2HE2 GLN A 4 -12.251 -5.769 -0.697 1.00 0.00 H HETATM 67 N DIV A 5 -7.464 -2.299 -0.694 1.00 0.00 N HETATM 68 CA DIV A 5 -6.593 -1.437 -1.547 1.00 0.00 C HETATM 69 CB1 DIV A 5 -6.064 -2.306 -2.735 1.00 0.00 C HETATM 70 CG1 DIV A 5 -7.029 -2.840 -3.817 1.00 0.00 C HETATM 71 CB2 DIV A 5 -7.470 -0.281 -2.116 1.00 0.00 C HETATM 72 C DIV A 5 -5.413 -0.775 -0.720 1.00 0.00 C HETATM 73 O DIV A 5 -4.240 -0.953 -1.058 1.00 0.00 O HETATM 74 2HN DIV A 5 -8.437 -2.058 -0.531 1.00 0.00 H HETATM 75 1HB1 DIV A 5 -5.291 -1.713 -3.214 1.00 0.00 H HETATM 76 2HB1 DIV A 5 -5.501 -3.176 -2.355 1.00 0.00 H HETATM 77 1HG1 DIV A 5 -7.508 -2.027 -4.390 1.00 0.00 H HETATM 78 2HG1 DIV A 5 -6.480 -3.464 -4.544 1.00 0.00 H HETATM 79 3HG1 DIV A 5 -7.831 -3.465 -3.381 1.00 0.00 H HETATM 80 1HB2 DIV A 5 -7.940 0.327 -1.323 1.00 0.00 H HETATM 81 2HB2 DIV A 5 -6.879 0.419 -2.738 1.00 0.00 H HETATM 82 3HB2 DIV A 5 -8.301 -0.635 -2.752 1.00 0.00 H ATOM 83 N ILE A 6 -5.709 -0.049 0.387 1.00 0.00 N ATOM 84 CA ILE A 6 -4.678 0.499 1.330 1.00 0.00 C ATOM 85 C ILE A 6 -3.793 -0.601 2.028 1.00 0.00 C ATOM 86 O ILE A 6 -2.642 -0.306 2.360 1.00 0.00 O ATOM 87 CB ILE A 6 -5.348 1.525 2.323 1.00 0.00 C ATOM 88 CG1 ILE A 6 -6.087 2.725 1.644 1.00 0.00 C ATOM 89 CG2 ILE A 6 -4.412 2.090 3.425 1.00 0.00 C ATOM 90 CD1 ILE A 6 -5.247 3.683 0.781 1.00 0.00 C ATOM 91 H ILE A 6 -6.712 0.021 0.590 1.00 0.00 H ATOM 92 HA ILE A 6 -3.968 1.083 0.714 1.00 0.00 H ATOM 93 HB ILE A 6 -6.127 0.961 2.873 1.00 0.00 H ATOM 94 1HG1 ILE A 6 -6.910 2.342 1.015 1.00 0.00 H ATOM 95 2HG1 ILE A 6 -6.605 3.320 2.420 1.00 0.00 H ATOM 96 1HG2 ILE A 6 -3.521 2.589 3.001 1.00 0.00 H ATOM 97 2HG2 ILE A 6 -4.927 2.829 4.068 1.00 0.00 H ATOM 98 3HG2 ILE A 6 -4.050 1.295 4.103 1.00 0.00 H ATOM 99 1HD1 ILE A 6 -4.775 3.165 -0.073 1.00 0.00 H ATOM 100 2HD1 ILE A 6 -5.876 4.489 0.364 1.00 0.00 H ATOM 101 3HD1 ILE A 6 -4.443 4.170 1.364 1.00 0.00 H ATOM 102 N THR A 7 -4.292 -1.843 2.219 1.00 0.00 N ATOM 103 CA THR A 7 -3.480 -2.998 2.696 1.00 0.00 C ATOM 104 C THR A 7 -2.471 -3.545 1.640 1.00 0.00 C ATOM 105 O THR A 7 -1.304 -3.690 1.998 1.00 0.00 O ATOM 106 CB THR A 7 -4.407 -4.075 3.333 1.00 0.00 C ATOM 107 OG1 THR A 7 -5.166 -3.480 4.384 1.00 0.00 O ATOM 108 CG2 THR A 7 -3.685 -5.286 3.954 1.00 0.00 C ATOM 109 H THR A 7 -5.266 -1.963 1.916 1.00 0.00 H ATOM 110 HA THR A 7 -2.853 -2.626 3.518 1.00 0.00 H ATOM 111 HB THR A 7 -5.108 -4.451 2.566 1.00 0.00 H ATOM 112 HG1 THR A 7 -5.250 -2.553 4.146 1.00 0.00 H ATOM 113 1HG2 THR A 7 -4.405 -5.962 4.452 1.00 0.00 H ATOM 114 2HG2 THR A 7 -3.155 -5.887 3.192 1.00 0.00 H ATOM 115 3HG2 THR A 7 -2.940 -4.981 4.711 1.00 0.00 H HETATM 116 N AIB A 8 -2.869 -3.817 0.372 1.00 0.00 N HETATM 117 CA AIB A 8 -1.906 -4.110 -0.756 1.00 0.00 C HETATM 118 C AIB A 8 -0.816 -2.986 -0.998 1.00 0.00 C HETATM 119 O1 AIB A 8 0.356 -3.268 -1.279 1.00 0.00 O HETATM 120 CB1 AIB A 8 -2.762 -4.222 -2.044 1.00 0.00 C HETATM 121 CB2 AIB A 8 -1.246 -5.505 -0.541 1.00 0.00 C HETATM 122 2HN AIB A 8 -3.833 -3.505 0.187 1.00 0.00 H HETATM 123 1HB1 AIB A 8 -3.245 -3.261 -2.306 1.00 0.00 H HETATM 124 2HB1 AIB A 8 -2.152 -4.508 -2.922 1.00 0.00 H HETATM 125 3HB1 AIB A 8 -3.570 -4.975 -1.958 1.00 0.00 H HETATM 126 1HB2 AIB A 8 -1.990 -6.310 -0.392 1.00 0.00 H HETATM 127 2HB2 AIB A 8 -0.618 -5.804 -1.402 1.00 0.00 H HETATM 128 3HB2 AIB A 8 -0.579 -5.515 0.342 1.00 0.00 H ATOM 129 N LEU A 9 -1.224 -1.708 -0.877 1.00 0.00 N ATOM 130 CA LEU A 9 -0.328 -0.526 -0.963 1.00 0.00 C ATOM 131 C LEU A 9 0.528 -0.211 0.310 1.00 0.00 C ATOM 132 O LEU A 9 1.486 0.553 0.177 1.00 0.00 O ATOM 133 CB LEU A 9 -1.203 0.683 -1.407 1.00 0.00 C ATOM 134 CG LEU A 9 -1.685 0.656 -2.892 1.00 0.00 C ATOM 135 CD1 LEU A 9 -2.932 1.533 -3.124 1.00 0.00 C ATOM 136 CD2 LEU A 9 -0.562 1.079 -3.862 1.00 0.00 C ATOM 137 H LEU A 9 -2.205 -1.606 -0.592 1.00 0.00 H ATOM 138 HA LEU A 9 0.403 -0.695 -1.773 1.00 0.00 H ATOM 139 1HB LEU A 9 -2.071 0.756 -0.725 1.00 0.00 H ATOM 140 2HB LEU A 9 -0.650 1.623 -1.235 1.00 0.00 H ATOM 141 HG LEU A 9 -1.983 -0.373 -3.154 1.00 0.00 H ATOM 142 1HD1 LEU A 9 -2.734 2.602 -2.923 1.00 0.00 H ATOM 143 2HD1 LEU A 9 -3.293 1.451 -4.168 1.00 0.00 H ATOM 144 3HD1 LEU A 9 -3.777 1.227 -2.478 1.00 0.00 H ATOM 145 1HD2 LEU A 9 0.342 0.453 -3.749 1.00 0.00 H ATOM 146 2HD2 LEU A 9 -0.877 0.993 -4.920 1.00 0.00 H ATOM 147 3HD2 LEU A 9 -0.249 2.127 -3.695 1.00 0.00 H HETATM 148 N AIB A 10 0.234 -0.788 1.510 1.00 0.00 N HETATM 149 CA AIB A 10 1.074 -0.677 2.753 1.00 0.00 C HETATM 150 C AIB A 10 2.553 -1.222 2.531 1.00 0.00 C HETATM 151 O1 AIB A 10 3.477 -0.434 2.756 1.00 0.00 O HETATM 152 CB1 AIB A 10 0.346 -1.456 3.887 1.00 0.00 C HETATM 153 CB2 AIB A 10 1.042 0.814 3.228 1.00 0.00 C HETATM 154 2HN AIB A 10 -0.545 -1.458 1.469 1.00 0.00 H HETATM 155 1HB1 AIB A 10 0.165 -2.515 3.643 1.00 0.00 H HETATM 156 2HB1 AIB A 10 0.918 -1.454 4.834 1.00 0.00 H HETATM 157 3HB1 AIB A 10 -0.650 -1.034 4.124 1.00 0.00 H HETATM 158 1HB2 AIB A 10 0.011 1.204 3.338 1.00 0.00 H HETATM 159 2HB2 AIB A 10 1.549 0.959 4.201 1.00 0.00 H HETATM 160 3HB2 AIB A 10 1.555 1.489 2.517 1.00 0.00 H HETATM 161 N HYP A 11 2.873 -2.465 2.032 1.00 0.00 N HETATM 162 CA HYP A 11 4.234 -2.818 1.532 1.00 0.00 C HETATM 163 C HYP A 11 4.761 -2.104 0.242 1.00 0.00 C HETATM 164 O HYP A 11 5.952 -2.267 -0.056 1.00 0.00 O HETATM 165 CB HYP A 11 4.152 -4.348 1.368 1.00 0.00 C HETATM 166 CG HYP A 11 2.677 -4.649 1.104 1.00 0.00 C HETATM 167 CD HYP A 11 1.938 -3.596 1.929 1.00 0.00 C HETATM 168 OD HYP A 11 2.330 -5.962 1.525 1.00 0.00 O HETATM 169 HA HYP A 11 4.966 -2.613 2.335 1.00 0.00 H HETATM 170 1HB HYP A 11 4.808 -4.748 0.572 1.00 0.00 H HETATM 171 2HB HYP A 11 4.473 -4.846 2.305 1.00 0.00 H HETATM 172 1HD HYP A 11 1.000 -3.324 1.429 1.00 0.00 H HETATM 173 2HD HYP A 11 1.707 -3.980 2.943 1.00 0.00 H HETATM 174 HOD HYP A 11 1.400 -5.931 1.762 1.00 0.00 H HETATM 175 HG HYP A 11 2.452 -4.525 0.027 1.00 0.00 H ATOM 176 N GLN A 12 3.961 -1.272 -0.464 1.00 0.00 N ATOM 177 CA GLN A 12 4.466 -0.342 -1.511 1.00 0.00 C ATOM 178 C GLN A 12 4.733 1.123 -1.037 1.00 0.00 C ATOM 179 O GLN A 12 4.935 1.980 -1.897 1.00 0.00 O ATOM 180 CB GLN A 12 3.513 -0.347 -2.739 1.00 0.00 C ATOM 181 CG GLN A 12 3.204 -1.727 -3.352 1.00 0.00 C ATOM 182 CD GLN A 12 2.472 -1.636 -4.701 1.00 0.00 C ATOM 183 OE1 GLN A 12 2.977 -1.075 -5.678 1.00 0.00 O ATOM 184 NE2 GLN A 12 1.280 -2.195 -4.814 1.00 0.00 N ATOM 185 H GLN A 12 3.022 -1.112 -0.095 1.00 0.00 H ATOM 186 HA GLN A 12 5.453 -0.699 -1.843 1.00 0.00 H ATOM 187 1HB GLN A 12 2.562 0.157 -2.482 1.00 0.00 H ATOM 188 2HB GLN A 12 3.967 0.289 -3.519 1.00 0.00 H ATOM 189 1HG GLN A 12 4.146 -2.291 -3.475 1.00 0.00 H ATOM 190 2HG GLN A 12 2.614 -2.295 -2.596 1.00 0.00 H ATOM 191 1HE2 GLN A 12 0.856 -2.148 -5.747 1.00 0.00 H ATOM 192 2HE2 GLN A 12 0.906 -2.671 -3.981 1.00 0.00 H HETATM 193 N AIB A 13 4.799 1.407 0.288 1.00 0.00 N HETATM 194 CA AIB A 13 5.613 2.497 0.916 1.00 0.00 C HETATM 195 C AIB A 13 7.126 1.986 1.057 1.00 0.00 C HETATM 196 O1 AIB A 13 8.013 2.568 0.413 1.00 0.00 O HETATM 197 CB1 AIB A 13 4.901 2.822 2.270 1.00 0.00 C HETATM 198 CB2 AIB A 13 5.518 3.848 0.150 1.00 0.00 C HETATM 199 2HN AIB A 13 4.528 0.599 0.856 1.00 0.00 H HETATM 200 1HB1 AIB A 13 4.540 1.935 2.819 1.00 0.00 H HETATM 201 2HB1 AIB A 13 5.557 3.388 2.960 1.00 0.00 H HETATM 202 3HB1 AIB A 13 3.982 3.429 2.135 1.00 0.00 H HETATM 203 1HB2 AIB A 13 4.465 4.110 -0.084 1.00 0.00 H HETATM 204 2HB2 AIB A 13 5.954 4.685 0.719 1.00 0.00 H HETATM 205 3HB2 AIB A 13 6.058 3.810 -0.811 1.00 0.00 H HETATM 206 N HYP A 14 7.510 0.888 1.797 1.00 0.00 N HETATM 207 CA HYP A 14 8.912 0.405 1.881 1.00 0.00 C HETATM 208 C HYP A 14 9.567 -0.188 0.595 1.00 0.00 C HETATM 209 O HYP A 14 10.765 0.045 0.419 1.00 0.00 O HETATM 210 CB HYP A 14 8.904 -0.622 3.034 1.00 0.00 C HETATM 211 CG HYP A 14 7.448 -1.004 3.305 1.00 0.00 C HETATM 212 CD HYP A 14 6.601 0.034 2.572 1.00 0.00 C HETATM 213 OD HYP A 14 7.174 -0.987 4.701 1.00 0.00 O HETATM 214 HA HYP A 14 9.545 1.256 2.207 1.00 0.00 H HETATM 215 1HB HYP A 14 9.497 -1.528 2.799 1.00 0.00 H HETATM 216 2HB HYP A 14 9.366 -0.177 3.938 1.00 0.00 H HETATM 217 1HD HYP A 14 5.891 -0.460 1.902 1.00 0.00 H HETATM 218 2HD HYP A 14 6.010 0.616 3.280 1.00 0.00 H HETATM 219 HOD HYP A 14 7.383 -0.097 4.996 1.00 0.00 H HETATM 220 HG HYP A 14 7.239 -2.015 2.909 1.00 0.00 H HETATM 221 N AIB A 15 8.848 -0.961 -0.267 1.00 0.00 N HETATM 222 CA AIB A 15 9.408 -1.546 -1.530 1.00 0.00 C HETATM 223 C AIB A 15 9.984 -0.454 -2.532 1.00 0.00 C HETATM 224 O1 AIB A 15 11.120 -0.637 -2.990 1.00 0.00 O HETATM 225 CB1 AIB A 15 8.295 -2.375 -2.220 1.00 0.00 C HETATM 226 CB2 AIB A 15 10.499 -2.590 -1.135 1.00 0.00 C HETATM 227 2HN AIB A 15 7.828 -0.907 -0.151 1.00 0.00 H HETATM 228 1HB1 AIB A 15 7.393 -1.786 -2.456 1.00 0.00 H HETATM 229 2HB1 AIB A 15 8.643 -2.809 -3.177 1.00 0.00 H HETATM 230 3HB1 AIB A 15 7.947 -3.219 -1.594 1.00 0.00 H HETATM 231 1HB2 AIB A 15 10.143 -3.319 -0.383 1.00 0.00 H HETATM 232 2HB2 AIB A 15 10.858 -3.160 -2.011 1.00 0.00 H HETATM 233 3HB2 AIB A 15 11.391 -2.099 -0.702 1.00 0.00 H ATOM 234 N PRO A 16 9.341 0.714 -2.871 1.00 0.00 N ATOM 235 CA PRO A 16 10.051 1.877 -3.459 1.00 0.00 C ATOM 236 C PRO A 16 11.033 2.657 -2.541 1.00 0.00 C ATOM 237 O PRO A 16 11.985 3.236 -3.069 1.00 0.00 O ATOM 238 CB PRO A 16 8.915 2.751 -4.015 1.00 0.00 C ATOM 239 CG PRO A 16 7.697 2.425 -3.157 1.00 0.00 C ATOM 240 CD PRO A 16 7.936 1.029 -2.565 1.00 0.00 C ATOM 241 HA PRO A 16 10.660 1.518 -4.291 1.00 0.00 H ATOM 242 1HB PRO A 16 9.147 3.833 -4.003 1.00 0.00 H ATOM 243 2HB PRO A 16 8.711 2.493 -5.071 1.00 0.00 H ATOM 244 1HG PRO A 16 7.617 3.166 -2.342 1.00 0.00 H ATOM 245 2HG PRO A 16 6.760 2.488 -3.737 1.00 0.00 H ATOM 246 1HD PRO A 16 7.751 1.053 -1.483 1.00 0.00 H ATOM 247 2HD PRO A 16 7.249 0.262 -2.956 1.00 0.00 H HETATM 248 N PHL A 17 10.790 2.707 -1.215 1.00 0.00 N HETATM 249 CA PHL A 17 11.530 3.627 -0.310 1.00 0.00 C HETATM 250 C PHL A 17 12.111 2.856 0.892 1.00 0.00 C HETATM 251 O PHL A 17 13.009 3.672 1.632 1.00 0.00 O HETATM 252 CB PHL A 17 10.583 4.774 0.138 1.00 0.00 C HETATM 253 CG PHL A 17 9.977 5.667 -0.973 1.00 0.00 C HETATM 254 CD1 PHL A 17 10.793 6.310 -1.911 1.00 0.00 C HETATM 255 CD2 PHL A 17 8.587 5.792 -1.074 1.00 0.00 C HETATM 256 CE1 PHL A 17 10.224 7.060 -2.940 1.00 0.00 C HETATM 257 CE2 PHL A 17 8.021 6.544 -2.100 1.00 0.00 C HETATM 258 CZ PHL A 17 8.841 7.179 -3.030 1.00 0.00 C HETATM 259 H1 PHL A 17 12.650 1.947 0.562 1.00 0.00 H HETATM 260 H2 PHL A 17 11.306 2.507 1.566 1.00 0.00 H HETATM 261 HO PHL A 17 13.709 3.922 1.022 1.00 0.00 H HETATM 262 HA PHL A 17 12.395 4.086 -0.831 1.00 0.00 H HETATM 263 2HN PHL A 17 9.920 2.231 -0.937 1.00 0.00 H HETATM 264 1HB PHL A 17 9.775 4.313 0.740 1.00 0.00 H HETATM 265 2HB PHL A 17 11.124 5.433 0.843 1.00 0.00 H HETATM 266 HD1 PHL A 17 11.866 6.195 -1.870 1.00 0.00 H HETATM 267 HD2 PHL A 17 7.941 5.290 -0.370 1.00 0.00 H HETATM 268 HE1 PHL A 17 10.857 7.538 -3.671 1.00 0.00 H HETATM 269 HE2 PHL A 17 6.947 6.625 -2.177 1.00 0.00 H HETATM 270 HZ PHL A 17 8.400 7.762 -3.823 1.00 0.00 H TER 271 PHL A 17 ENDMDL MODEL 4 HETATM 1 C ACE A 1 -11.583 -1.587 -1.196 1.00 0.00 C HETATM 2 O ACE A 1 -10.504 -1.726 -1.778 1.00 0.00 O HETATM 3 CH3 ACE A 1 -12.607 -2.720 -1.183 1.00 0.00 C HETATM 4 1H ACE A 1 -13.640 -2.348 -1.329 1.00 0.00 H HETATM 5 2H ACE A 1 -12.405 -3.449 -1.988 1.00 0.00 H HETATM 6 3H ACE A 1 -12.581 -3.269 -0.222 1.00 0.00 H ATOM 7 N TRP A 2 -11.939 -0.484 -0.522 1.00 0.00 N ATOM 8 CA TRP A 2 -11.032 0.684 -0.330 1.00 0.00 C ATOM 9 C TRP A 2 -9.994 0.527 0.832 1.00 0.00 C ATOM 10 O TRP A 2 -8.871 1.025 0.710 1.00 0.00 O ATOM 11 CB TRP A 2 -11.897 1.967 -0.183 1.00 0.00 C ATOM 12 CG TRP A 2 -11.235 3.247 -0.707 1.00 0.00 C ATOM 13 CD1 TRP A 2 -11.132 3.601 -2.070 1.00 0.00 C ATOM 14 CD2 TRP A 2 -10.717 4.321 -0.006 1.00 0.00 C ATOM 15 NE1 TRP A 2 -10.562 4.874 -2.242 1.00 0.00 N ATOM 16 CE2 TRP A 2 -10.318 5.305 -0.947 1.00 0.00 C ATOM 17 CE3 TRP A 2 -10.590 4.565 1.386 1.00 0.00 C ATOM 18 CZ2 TRP A 2 -9.800 6.546 -0.503 1.00 0.00 C ATOM 19 CZ3 TRP A 2 -10.069 5.794 1.799 1.00 0.00 C ATOM 20 CH2 TRP A 2 -9.682 6.768 0.871 1.00 0.00 C ATOM 21 H TRP A 2 -12.869 -0.523 -0.090 1.00 0.00 H ATOM 22 HA TRP A 2 -10.443 0.787 -1.263 1.00 0.00 H ATOM 23 1HB TRP A 2 -12.849 1.862 -0.740 1.00 0.00 H ATOM 24 2HB TRP A 2 -12.216 2.095 0.869 1.00 0.00 H ATOM 25 HD1 TRP A 2 -11.481 2.983 -2.886 1.00 0.00 H ATOM 26 HE1 TRP A 2 -10.417 5.387 -3.118 1.00 0.00 H ATOM 27 HE3 TRP A 2 -10.895 3.829 2.113 1.00 0.00 H ATOM 28 HZ2 TRP A 2 -9.512 7.313 -1.207 1.00 0.00 H ATOM 29 HZ3 TRP A 2 -9.972 6.001 2.855 1.00 0.00 H ATOM 30 HH2 TRP A 2 -9.292 7.712 1.223 1.00 0.00 H ATOM 31 N ILE A 3 -10.340 -0.188 1.924 1.00 0.00 N ATOM 32 CA ILE A 3 -9.339 -0.786 2.860 1.00 0.00 C ATOM 33 C ILE A 3 -8.499 -1.973 2.273 1.00 0.00 C ATOM 34 O ILE A 3 -7.336 -2.113 2.658 1.00 0.00 O ATOM 35 CB ILE A 3 -9.997 -1.112 4.252 1.00 0.00 C ATOM 36 CG1 ILE A 3 -8.934 -1.467 5.339 1.00 0.00 C ATOM 37 CG2 ILE A 3 -11.113 -2.191 4.167 1.00 0.00 C ATOM 38 CD1 ILE A 3 -9.419 -1.544 6.796 1.00 0.00 C ATOM 39 H ILE A 3 -11.308 -0.526 1.912 1.00 0.00 H ATOM 40 HA ILE A 3 -8.589 0.013 3.022 1.00 0.00 H ATOM 41 HB ILE A 3 -10.488 -0.181 4.597 1.00 0.00 H ATOM 42 1HG1 ILE A 3 -8.444 -2.428 5.091 1.00 0.00 H ATOM 43 2HG1 ILE A 3 -8.122 -0.720 5.304 1.00 0.00 H ATOM 44 1HG2 ILE A 3 -10.716 -3.180 3.871 1.00 0.00 H ATOM 45 2HG2 ILE A 3 -11.636 -2.324 5.131 1.00 0.00 H ATOM 46 3HG2 ILE A 3 -11.890 -1.924 3.428 1.00 0.00 H ATOM 47 1HD1 ILE A 3 -10.160 -2.350 6.947 1.00 0.00 H ATOM 48 2HD1 ILE A 3 -8.573 -1.756 7.475 1.00 0.00 H ATOM 49 3HD1 ILE A 3 -9.877 -0.595 7.129 1.00 0.00 H ATOM 50 N GLN A 4 -9.032 -2.807 1.357 1.00 0.00 N ATOM 51 CA GLN A 4 -8.208 -3.784 0.585 1.00 0.00 C ATOM 52 C GLN A 4 -7.123 -3.128 -0.320 1.00 0.00 C ATOM 53 O GLN A 4 -5.988 -3.610 -0.317 1.00 0.00 O ATOM 54 CB GLN A 4 -9.116 -4.757 -0.220 1.00 0.00 C ATOM 55 CG GLN A 4 -8.735 -6.247 -0.047 1.00 0.00 C ATOM 56 CD GLN A 4 -9.754 -7.226 -0.657 1.00 0.00 C ATOM 57 OE1 GLN A 4 -10.899 -7.312 -0.215 1.00 0.00 O ATOM 58 NE2 GLN A 4 -9.363 -8.005 -1.653 1.00 0.00 N ATOM 59 H GLN A 4 -10.000 -2.596 1.093 1.00 0.00 H ATOM 60 HA GLN A 4 -7.659 -4.379 1.348 1.00 0.00 H ATOM 61 1HB GLN A 4 -10.175 -4.644 0.086 1.00 0.00 H ATOM 62 2HB GLN A 4 -9.125 -4.501 -1.297 1.00 0.00 H ATOM 63 1HG GLN A 4 -7.716 -6.418 -0.445 1.00 0.00 H ATOM 64 2HG GLN A 4 -8.660 -6.483 1.032 1.00 0.00 H ATOM 65 1HE2 GLN A 4 -10.045 -8.696 -1.983 1.00 0.00 H ATOM 66 2HE2 GLN A 4 -8.394 -7.896 -1.972 1.00 0.00 H HETATM 67 N DIV A 5 -7.462 -2.023 -1.036 1.00 0.00 N HETATM 68 CA DIV A 5 -6.506 -1.135 -1.753 1.00 0.00 C HETATM 69 CB1 DIV A 5 -5.919 -1.936 -2.962 1.00 0.00 C HETATM 70 CG1 DIV A 5 -6.789 -2.279 -4.192 1.00 0.00 C HETATM 71 CB2 DIV A 5 -7.320 0.081 -2.288 1.00 0.00 C HETATM 72 C DIV A 5 -5.382 -0.572 -0.787 1.00 0.00 C HETATM 73 O DIV A 5 -4.192 -0.724 -1.071 1.00 0.00 O HETATM 74 2HN DIV A 5 -8.399 -1.676 -0.853 1.00 0.00 H HETATM 75 1HB1 DIV A 5 -5.056 -1.370 -3.295 1.00 0.00 H HETATM 76 2HB1 DIV A 5 -5.470 -2.882 -2.617 1.00 0.00 H HETATM 77 1HG1 DIV A 5 -7.173 -1.375 -4.700 1.00 0.00 H HETATM 78 2HG1 DIV A 5 -6.203 -2.836 -4.945 1.00 0.00 H HETATM 79 3HG1 DIV A 5 -7.661 -2.904 -3.919 1.00 0.00 H HETATM 80 1HB2 DIV A 5 -7.779 0.672 -1.481 1.00 0.00 H HETATM 81 2HB2 DIV A 5 -6.686 0.780 -2.862 1.00 0.00 H HETATM 82 3HB2 DIV A 5 -8.154 -0.211 -2.951 1.00 0.00 H ATOM 83 N ILE A 6 -5.750 0.037 0.373 1.00 0.00 N ATOM 84 CA ILE A 6 -4.763 0.497 1.403 1.00 0.00 C ATOM 85 C ILE A 6 -3.867 -0.628 2.046 1.00 0.00 C ATOM 86 O ILE A 6 -2.757 -0.325 2.492 1.00 0.00 O ATOM 87 CB ILE A 6 -5.435 1.505 2.423 1.00 0.00 C ATOM 88 CG1 ILE A 6 -4.547 2.771 2.626 1.00 0.00 C ATOM 89 CG2 ILE A 6 -5.848 0.901 3.790 1.00 0.00 C ATOM 90 CD1 ILE A 6 -5.195 3.966 3.349 1.00 0.00 C ATOM 91 H ILE A 6 -6.765 0.107 0.513 1.00 0.00 H ATOM 92 HA ILE A 6 -4.034 1.091 0.815 1.00 0.00 H ATOM 93 HB ILE A 6 -6.386 1.868 1.978 1.00 0.00 H ATOM 94 1HG1 ILE A 6 -3.613 2.493 3.150 1.00 0.00 H ATOM 95 2HG1 ILE A 6 -4.220 3.147 1.640 1.00 0.00 H ATOM 96 1HG2 ILE A 6 -4.970 0.667 4.422 1.00 0.00 H ATOM 97 2HG2 ILE A 6 -6.494 1.586 4.370 1.00 0.00 H ATOM 98 3HG2 ILE A 6 -6.411 -0.037 3.673 1.00 0.00 H ATOM 99 1HD1 ILE A 6 -5.410 3.745 4.410 1.00 0.00 H ATOM 100 2HD1 ILE A 6 -4.523 4.843 3.331 1.00 0.00 H ATOM 101 3HD1 ILE A 6 -6.143 4.271 2.868 1.00 0.00 H ATOM 102 N THR A 7 -4.333 -1.895 2.071 1.00 0.00 N ATOM 103 CA THR A 7 -3.551 -3.075 2.524 1.00 0.00 C ATOM 104 C THR A 7 -2.539 -3.590 1.460 1.00 0.00 C ATOM 105 O THR A 7 -1.372 -3.750 1.817 1.00 0.00 O ATOM 106 CB THR A 7 -4.516 -4.160 3.090 1.00 0.00 C ATOM 107 OG1 THR A 7 -5.256 -3.608 4.176 1.00 0.00 O ATOM 108 CG2 THR A 7 -3.844 -5.442 3.616 1.00 0.00 C ATOM 109 H THR A 7 -5.281 -2.000 1.692 1.00 0.00 H ATOM 110 HA THR A 7 -2.931 -2.748 3.369 1.00 0.00 H ATOM 111 HB THR A 7 -5.232 -4.456 2.302 1.00 0.00 H ATOM 112 HG1 THR A 7 -5.524 -2.730 3.893 1.00 0.00 H ATOM 113 1HG2 THR A 7 -4.582 -6.116 4.087 1.00 0.00 H ATOM 114 2HG2 THR A 7 -3.366 -6.012 2.799 1.00 0.00 H ATOM 115 3HG2 THR A 7 -3.067 -5.227 4.372 1.00 0.00 H HETATM 116 N AIB A 8 -2.938 -3.823 0.186 1.00 0.00 N HETATM 117 CA AIB A 8 -1.980 -4.120 -0.943 1.00 0.00 C HETATM 118 C AIB A 8 -0.862 -3.016 -1.170 1.00 0.00 C HETATM 119 O1 AIB A 8 0.298 -3.317 -1.471 1.00 0.00 O HETATM 120 CB1 AIB A 8 -2.840 -4.198 -2.231 1.00 0.00 C HETATM 121 CB2 AIB A 8 -1.357 -5.534 -0.742 1.00 0.00 C HETATM 122 2HN AIB A 8 -3.907 -3.519 0.006 1.00 0.00 H HETATM 123 1HB1 AIB A 8 -3.305 -3.224 -2.476 1.00 0.00 H HETATM 124 2HB1 AIB A 8 -2.236 -4.481 -3.115 1.00 0.00 H HETATM 125 3HB1 AIB A 8 -3.663 -4.937 -2.158 1.00 0.00 H HETATM 126 1HB2 AIB A 8 -2.121 -6.324 -0.618 1.00 0.00 H HETATM 127 2HB2 AIB A 8 -0.723 -5.833 -1.597 1.00 0.00 H HETATM 128 3HB2 AIB A 8 -0.706 -5.573 0.151 1.00 0.00 H ATOM 129 N LEU A 9 -1.240 -1.728 -1.020 1.00 0.00 N ATOM 130 CA LEU A 9 -0.313 -0.566 -1.090 1.00 0.00 C ATOM 131 C LEU A 9 0.488 -0.245 0.218 1.00 0.00 C ATOM 132 O LEU A 9 1.447 0.525 0.117 1.00 0.00 O ATOM 133 CB LEU A 9 -1.131 0.654 -1.607 1.00 0.00 C ATOM 134 CG LEU A 9 -1.497 0.613 -3.124 1.00 0.00 C ATOM 135 CD1 LEU A 9 -2.767 1.419 -3.454 1.00 0.00 C ATOM 136 CD2 LEU A 9 -0.324 1.094 -4.003 1.00 0.00 C ATOM 137 H LEU A 9 -2.214 -1.614 -0.715 1.00 0.00 H ATOM 138 HA LEU A 9 0.459 -0.766 -1.853 1.00 0.00 H ATOM 139 1HB LEU A 9 -2.041 0.764 -0.988 1.00 0.00 H ATOM 140 2HB LEU A 9 -0.570 1.584 -1.411 1.00 0.00 H ATOM 141 HG LEU A 9 -1.721 -0.431 -3.410 1.00 0.00 H ATOM 142 1HD1 LEU A 9 -2.667 2.488 -3.192 1.00 0.00 H ATOM 143 2HD1 LEU A 9 -3.012 1.365 -4.531 1.00 0.00 H ATOM 144 3HD1 LEU A 9 -3.650 1.030 -2.918 1.00 0.00 H ATOM 145 1HD2 LEU A 9 0.596 0.511 -3.818 1.00 0.00 H ATOM 146 2HD2 LEU A 9 -0.547 1.001 -5.083 1.00 0.00 H ATOM 147 3HD2 LEU A 9 -0.076 2.155 -3.808 1.00 0.00 H HETATM 148 N AIB A 10 0.155 -0.822 1.409 1.00 0.00 N HETATM 149 CA AIB A 10 0.979 -0.736 2.664 1.00 0.00 C HETATM 150 C AIB A 10 2.461 -1.277 2.452 1.00 0.00 C HETATM 151 O1 AIB A 10 3.384 -0.496 2.702 1.00 0.00 O HETATM 152 CB1 AIB A 10 0.248 -1.540 3.778 1.00 0.00 C HETATM 153 CB2 AIB A 10 0.944 0.744 3.170 1.00 0.00 C HETATM 154 2HN AIB A 10 -0.605 -1.512 1.334 1.00 0.00 H HETATM 155 1HB1 AIB A 10 0.053 -2.590 3.505 1.00 0.00 H HETATM 156 2HB1 AIB A 10 0.823 -1.571 4.724 1.00 0.00 H HETATM 157 3HB1 AIB A 10 -0.742 -1.114 4.034 1.00 0.00 H HETATM 158 1HB2 AIB A 10 -0.088 1.133 3.272 1.00 0.00 H HETATM 159 2HB2 AIB A 10 1.433 0.869 4.155 1.00 0.00 H HETATM 160 3HB2 AIB A 10 1.468 1.433 2.483 1.00 0.00 H HETATM 161 N HYP A 11 2.790 -2.513 1.940 1.00 0.00 N HETATM 162 CA HYP A 11 4.161 -2.868 1.472 1.00 0.00 C HETATM 163 C HYP A 11 4.731 -2.134 0.210 1.00 0.00 C HETATM 164 O HYP A 11 5.930 -2.283 -0.049 1.00 0.00 O HETATM 165 CB HYP A 11 4.077 -4.394 1.272 1.00 0.00 C HETATM 166 CG HYP A 11 2.612 -4.674 0.947 1.00 0.00 C HETATM 167 CD HYP A 11 1.849 -3.634 1.771 1.00 0.00 C HETATM 168 OD HYP A 11 2.239 -5.995 1.323 1.00 0.00 O HETATM 169 HA HYP A 11 4.874 -2.682 2.295 1.00 0.00 H HETATM 170 1HB HYP A 11 4.756 -4.782 0.492 1.00 0.00 H HETATM 171 2HB HYP A 11 4.359 -4.910 2.208 1.00 0.00 H HETATM 172 1HD HYP A 11 0.932 -3.340 1.240 1.00 0.00 H HETATM 173 2HD HYP A 11 1.573 -4.043 2.762 1.00 0.00 H HETATM 174 HOD HYP A 11 1.376 -5.921 1.738 1.00 0.00 H HETATM 175 HG HYP A 11 2.424 -4.519 -0.134 1.00 0.00 H ATOM 176 N GLN A 12 3.943 -1.312 -0.519 1.00 0.00 N ATOM 177 CA GLN A 12 4.471 -0.373 -1.547 1.00 0.00 C ATOM 178 C GLN A 12 4.728 1.090 -1.057 1.00 0.00 C ATOM 179 O GLN A 12 4.955 1.948 -1.911 1.00 0.00 O ATOM 180 CB GLN A 12 3.547 -0.377 -2.798 1.00 0.00 C ATOM 181 CG GLN A 12 3.256 -1.759 -3.419 1.00 0.00 C ATOM 182 CD GLN A 12 2.565 -1.674 -4.793 1.00 0.00 C ATOM 183 OE1 GLN A 12 3.110 -1.124 -5.750 1.00 0.00 O ATOM 184 NE2 GLN A 12 1.367 -2.208 -4.928 1.00 0.00 N ATOM 185 H GLN A 12 2.996 -1.158 -0.168 1.00 0.00 H ATOM 186 HA GLN A 12 5.468 -0.725 -1.851 1.00 0.00 H ATOM 187 1HB GLN A 12 2.587 0.114 -2.554 1.00 0.00 H ATOM 188 2HB GLN A 12 4.007 0.268 -3.566 1.00 0.00 H ATOM 189 1HG GLN A 12 4.205 -2.320 -3.518 1.00 0.00 H ATOM 190 2HG GLN A 12 2.649 -2.330 -2.683 1.00 0.00 H ATOM 191 1HE2 GLN A 12 0.944 -2.119 -5.861 1.00 0.00 H ATOM 192 2HE2 GLN A 12 0.970 -2.677 -4.108 1.00 0.00 H HETATM 193 N AIB A 13 4.757 1.362 0.270 1.00 0.00 N HETATM 194 CA AIB A 13 5.550 2.450 0.928 1.00 0.00 C HETATM 195 C AIB A 13 7.061 1.943 1.110 1.00 0.00 C HETATM 196 O1 AIB A 13 7.965 2.537 0.498 1.00 0.00 O HETATM 197 CB1 AIB A 13 4.803 2.769 2.264 1.00 0.00 C HETATM 198 CB2 AIB A 13 5.473 3.806 0.167 1.00 0.00 C HETATM 199 2HN AIB A 13 4.477 0.551 0.832 1.00 0.00 H HETATM 200 1HB1 AIB A 13 4.432 1.881 2.804 1.00 0.00 H HETATM 201 2HB1 AIB A 13 5.434 3.336 2.971 1.00 0.00 H HETATM 202 3HB1 AIB A 13 3.883 3.370 2.112 1.00 0.00 H HETATM 203 1HB2 AIB A 13 4.428 4.075 -0.086 1.00 0.00 H HETATM 204 2HB2 AIB A 13 5.906 4.635 0.749 1.00 0.00 H HETATM 205 3HB2 AIB A 13 6.031 3.768 -0.783 1.00 0.00 H HETATM 206 N HYP A 14 7.433 0.845 1.854 1.00 0.00 N HETATM 207 CA HYP A 14 8.833 0.368 1.979 1.00 0.00 C HETATM 208 C HYP A 14 9.530 -0.219 0.715 1.00 0.00 C HETATM 209 O HYP A 14 10.732 0.010 0.578 1.00 0.00 O HETATM 210 CB HYP A 14 8.797 -0.659 3.128 1.00 0.00 C HETATM 211 CG HYP A 14 7.338 -1.059 3.343 1.00 0.00 C HETATM 212 CD HYP A 14 6.506 -0.019 2.595 1.00 0.00 C HETATM 213 OD HYP A 14 7.017 -1.061 4.729 1.00 0.00 O HETATM 214 HA HYP A 14 9.446 1.219 2.330 1.00 0.00 H HETATM 215 1HB HYP A 14 9.407 -1.555 2.909 1.00 0.00 H HETATM 216 2HB HYP A 14 9.222 -0.211 4.048 1.00 0.00 H HETATM 217 1HD HYP A 14 5.816 -0.512 1.903 1.00 0.00 H HETATM 218 2HD HYP A 14 5.893 0.557 3.288 1.00 0.00 H HETATM 219 HOD HYP A 14 7.202 -0.171 5.040 1.00 0.00 H HETATM 220 HG HYP A 14 7.152 -2.065 2.926 1.00 0.00 H HETATM 221 N AIB A 15 8.837 -0.982 -0.174 1.00 0.00 N HETATM 222 CA AIB A 15 9.440 -1.558 -1.422 1.00 0.00 C HETATM 223 C AIB A 15 10.050 -0.454 -2.391 1.00 0.00 C HETATM 224 O1 AIB A 15 11.209 -0.618 -2.795 1.00 0.00 O HETATM 225 CB1 AIB A 15 8.350 -2.383 -2.152 1.00 0.00 C HETATM 226 CB2 AIB A 15 10.517 -2.606 -1.002 1.00 0.00 C HETATM 227 2HN AIB A 15 7.816 -0.937 -0.083 1.00 0.00 H HETATM 228 1HB1 AIB A 15 7.453 -1.797 -2.406 1.00 0.00 H HETATM 229 2HB1 AIB A 15 8.722 -2.807 -3.105 1.00 0.00 H HETATM 230 3HB1 AIB A 15 7.985 -3.234 -1.544 1.00 0.00 H HETATM 231 1HB2 AIB A 15 10.130 -3.345 -0.277 1.00 0.00 H HETATM 232 2HB2 AIB A 15 10.913 -3.162 -1.872 1.00 0.00 H HETATM 233 3HB2 AIB A 15 11.393 -2.124 -0.526 1.00 0.00 H ATOM 234 N PRO A 16 9.407 0.706 -2.751 1.00 0.00 N ATOM 235 CA PRO A 16 10.126 1.881 -3.308 1.00 0.00 C ATOM 236 C PRO A 16 11.060 2.677 -2.354 1.00 0.00 C ATOM 237 O PRO A 16 12.010 3.293 -2.850 1.00 0.00 O ATOM 238 CB PRO A 16 8.999 2.736 -3.918 1.00 0.00 C ATOM 239 CG PRO A 16 7.746 2.387 -3.120 1.00 0.00 C ATOM 240 CD PRO A 16 7.987 1.003 -2.502 1.00 0.00 C ATOM 241 HA PRO A 16 10.775 1.531 -4.113 1.00 0.00 H ATOM 242 1HB PRO A 16 9.210 3.822 -3.898 1.00 0.00 H ATOM 243 2HB PRO A 16 8.852 2.473 -4.982 1.00 0.00 H ATOM 244 1HG PRO A 16 7.604 3.132 -2.317 1.00 0.00 H ATOM 245 2HG PRO A 16 6.839 2.421 -3.749 1.00 0.00 H ATOM 246 1HD PRO A 16 7.766 1.039 -1.426 1.00 0.00 H ATOM 247 2HD PRO A 16 7.326 0.226 -2.911 1.00 0.00 H HETATM 248 N PHL A 17 10.788 2.702 -1.036 1.00 0.00 N HETATM 249 CA PHL A 17 11.492 3.617 -0.096 1.00 0.00 C HETATM 250 C PHL A 17 12.011 2.850 1.139 1.00 0.00 C HETATM 251 O PHL A 17 12.949 1.846 0.766 1.00 0.00 O HETATM 252 CB PHL A 17 10.532 4.761 0.322 1.00 0.00 C HETATM 253 CG PHL A 17 9.990 5.658 -0.814 1.00 0.00 C HETATM 254 CD1 PHL A 17 10.862 6.398 -1.624 1.00 0.00 C HETATM 255 CD2 PHL A 17 8.619 5.687 -1.086 1.00 0.00 C HETATM 256 CE1 PHL A 17 10.367 7.150 -2.684 1.00 0.00 C HETATM 257 CE2 PHL A 17 8.125 6.442 -2.144 1.00 0.00 C HETATM 258 CZ PHL A 17 8.999 7.179 -2.940 1.00 0.00 C HETATM 259 H1 PHL A 17 11.181 2.389 1.699 1.00 0.00 H HETATM 260 H2 PHL A 17 12.499 3.541 1.853 1.00 0.00 H HETATM 261 HO PHL A 17 12.488 1.276 0.144 1.00 0.00 H HETATM 262 HA PHL A 17 12.384 4.079 -0.567 1.00 0.00 H HETATM 263 2HN PHL A 17 9.917 2.206 -0.781 1.00 0.00 H HETATM 264 1HB PHL A 17 9.694 4.298 0.878 1.00 0.00 H HETATM 265 2HB PHL A 17 11.043 5.410 1.059 1.00 0.00 H HETATM 266 HD1 PHL A 17 11.928 6.355 -1.455 1.00 0.00 H HETATM 267 HD2 PHL A 17 7.934 5.102 -0.491 1.00 0.00 H HETATM 268 HE1 PHL A 17 11.045 7.706 -3.316 1.00 0.00 H HETATM 269 HE2 PHL A 17 7.066 6.449 -2.354 1.00 0.00 H HETATM 270 HZ PHL A 17 8.614 7.770 -3.757 1.00 0.00 H TER 271 PHL A 17 ENDMDL MODEL 5 HETATM 1 C ACE A 1 -11.663 -1.626 -0.859 1.00 0.00 C HETATM 2 O ACE A 1 -10.586 -1.664 -1.462 1.00 0.00 O HETATM 3 CH3 ACE A 1 -12.606 -2.829 -0.896 1.00 0.00 C HETATM 4 1H ACE A 1 -13.664 -2.529 -1.020 1.00 0.00 H HETATM 5 2H ACE A 1 -12.354 -3.500 -1.738 1.00 0.00 H HETATM 6 3H ACE A 1 -12.528 -3.421 0.035 1.00 0.00 H ATOM 7 N TRP A 2 -12.062 -0.589 -0.104 1.00 0.00 N ATOM 8 CA TRP A 2 -11.200 0.609 0.150 1.00 0.00 C ATOM 9 C TRP A 2 -10.026 0.341 1.142 1.00 0.00 C ATOM 10 O TRP A 2 -8.915 0.812 0.888 1.00 0.00 O ATOM 11 CB TRP A 2 -12.013 1.839 0.639 1.00 0.00 C ATOM 12 CG TRP A 2 -13.096 2.365 -0.312 1.00 0.00 C ATOM 13 CD1 TRP A 2 -12.883 2.996 -1.558 1.00 0.00 C ATOM 14 CD2 TRP A 2 -14.465 2.384 -0.116 1.00 0.00 C ATOM 15 NE1 TRP A 2 -14.093 3.407 -2.148 1.00 0.00 N ATOM 16 CE2 TRP A 2 -15.060 3.023 -1.231 1.00 0.00 C ATOM 17 CE3 TRP A 2 -15.265 1.926 0.963 1.00 0.00 C ATOM 18 CZ2 TRP A 2 -16.462 3.225 -1.270 1.00 0.00 C ATOM 19 CZ3 TRP A 2 -16.645 2.130 0.899 1.00 0.00 C ATOM 20 CH2 TRP A 2 -17.233 2.771 -0.197 1.00 0.00 C ATOM 21 H TRP A 2 -12.965 -0.720 0.369 1.00 0.00 H ATOM 22 HA TRP A 2 -10.742 0.905 -0.817 1.00 0.00 H ATOM 23 1HB TRP A 2 -12.454 1.625 1.633 1.00 0.00 H ATOM 24 2HB TRP A 2 -11.318 2.682 0.832 1.00 0.00 H ATOM 25 HD1 TRP A 2 -11.912 3.163 -2.002 1.00 0.00 H ATOM 26 HE1 TRP A 2 -14.226 3.907 -3.034 1.00 0.00 H ATOM 27 HE3 TRP A 2 -14.824 1.438 1.819 1.00 0.00 H ATOM 28 HZ2 TRP A 2 -16.928 3.730 -2.103 1.00 0.00 H ATOM 29 HZ3 TRP A 2 -17.265 1.794 1.718 1.00 0.00 H ATOM 30 HH2 TRP A 2 -18.303 2.924 -0.210 1.00 0.00 H ATOM 31 N ILE A 3 -10.250 -0.414 2.244 1.00 0.00 N ATOM 32 CA ILE A 3 -9.147 -0.915 3.121 1.00 0.00 C ATOM 33 C ILE A 3 -8.339 -2.096 2.478 1.00 0.00 C ATOM 34 O ILE A 3 -7.136 -2.165 2.734 1.00 0.00 O ATOM 35 CB ILE A 3 -9.619 -1.230 4.592 1.00 0.00 C ATOM 36 CG1 ILE A 3 -10.494 -0.119 5.269 1.00 0.00 C ATOM 37 CG2 ILE A 3 -8.441 -1.562 5.546 1.00 0.00 C ATOM 38 CD1 ILE A 3 -11.981 -0.495 5.378 1.00 0.00 C ATOM 39 H ILE A 3 -11.216 -0.742 2.348 1.00 0.00 H ATOM 40 HA ILE A 3 -8.422 -0.081 3.180 1.00 0.00 H ATOM 41 HB ILE A 3 -10.218 -2.160 4.541 1.00 0.00 H ATOM 42 1HG1 ILE A 3 -10.145 0.122 6.293 1.00 0.00 H ATOM 43 2HG1 ILE A 3 -10.399 0.840 4.722 1.00 0.00 H ATOM 44 1HG2 ILE A 3 -7.730 -0.720 5.622 1.00 0.00 H ATOM 45 2HG2 ILE A 3 -8.793 -1.793 6.569 1.00 0.00 H ATOM 46 3HG2 ILE A 3 -7.872 -2.450 5.214 1.00 0.00 H ATOM 47 1HD1 ILE A 3 -12.119 -1.411 5.985 1.00 0.00 H ATOM 48 2HD1 ILE A 3 -12.563 0.310 5.866 1.00 0.00 H ATOM 49 3HD1 ILE A 3 -12.434 -0.679 4.384 1.00 0.00 H ATOM 50 N GLN A 4 -8.923 -2.983 1.638 1.00 0.00 N ATOM 51 CA GLN A 4 -8.129 -3.919 0.781 1.00 0.00 C ATOM 52 C GLN A 4 -7.107 -3.225 -0.168 1.00 0.00 C ATOM 53 O GLN A 4 -5.956 -3.670 -0.209 1.00 0.00 O ATOM 54 CB GLN A 4 -9.042 -4.869 -0.040 1.00 0.00 C ATOM 55 CG GLN A 4 -9.768 -5.982 0.750 1.00 0.00 C ATOM 56 CD GLN A 4 -8.829 -7.082 1.279 1.00 0.00 C ATOM 57 OE1 GLN A 4 -8.186 -7.800 0.513 1.00 0.00 O ATOM 58 NE2 GLN A 4 -8.728 -7.238 2.588 1.00 0.00 N ATOM 59 H GLN A 4 -9.924 -2.826 1.469 1.00 0.00 H ATOM 60 HA GLN A 4 -7.523 -4.548 1.464 1.00 0.00 H ATOM 61 1HB GLN A 4 -9.793 -4.269 -0.587 1.00 0.00 H ATOM 62 2HB GLN A 4 -8.454 -5.361 -0.841 1.00 0.00 H ATOM 63 1HG GLN A 4 -10.382 -5.536 1.556 1.00 0.00 H ATOM 64 2HG GLN A 4 -10.498 -6.465 0.074 1.00 0.00 H ATOM 65 1HE2 GLN A 4 -8.082 -7.965 2.916 1.00 0.00 H ATOM 66 2HE2 GLN A 4 -9.317 -6.630 3.166 1.00 0.00 H HETATM 67 N DIV A 5 -7.502 -2.152 -0.899 1.00 0.00 N HETATM 68 CA DIV A 5 -6.601 -1.288 -1.708 1.00 0.00 C HETATM 69 CB1 DIV A 5 -6.029 -2.134 -2.891 1.00 0.00 C HETATM 70 CG1 DIV A 5 -6.946 -2.646 -4.021 1.00 0.00 C HETATM 71 CB2 DIV A 5 -7.483 -0.130 -2.266 1.00 0.00 C HETATM 72 C DIV A 5 -5.458 -0.637 -0.828 1.00 0.00 C HETATM 73 O DIV A 5 -4.273 -0.757 -1.163 1.00 0.00 O HETATM 74 2HN DIV A 5 -8.426 -1.785 -0.688 1.00 0.00 H HETATM 75 1HB1 DIV A 5 -5.245 -1.524 -3.329 1.00 0.00 H HETATM 76 2HB1 DIV A 5 -5.485 -3.013 -2.506 1.00 0.00 H HETATM 77 1HG1 DIV A 5 -7.417 -1.817 -4.579 1.00 0.00 H HETATM 78 2HG1 DIV A 5 -6.365 -3.237 -4.750 1.00 0.00 H HETATM 79 3HG1 DIV A 5 -7.751 -3.299 -3.635 1.00 0.00 H HETATM 80 1HB2 DIV A 5 -7.933 0.486 -1.466 1.00 0.00 H HETATM 81 2HB2 DIV A 5 -6.898 0.557 -2.903 1.00 0.00 H HETATM 82 3HB2 DIV A 5 -8.330 -0.492 -2.878 1.00 0.00 H ATOM 83 N ILE A 6 -5.785 0.008 0.323 1.00 0.00 N ATOM 84 CA ILE A 6 -4.763 0.520 1.289 1.00 0.00 C ATOM 85 C ILE A 6 -3.834 -0.568 1.945 1.00 0.00 C ATOM 86 O ILE A 6 -2.734 -0.225 2.382 1.00 0.00 O ATOM 87 CB ILE A 6 -5.419 1.546 2.295 1.00 0.00 C ATOM 88 CG1 ILE A 6 -4.564 2.845 2.385 1.00 0.00 C ATOM 89 CG2 ILE A 6 -5.737 0.989 3.708 1.00 0.00 C ATOM 90 CD1 ILE A 6 -5.192 4.039 3.122 1.00 0.00 C ATOM 91 H ILE A 6 -6.787 0.012 0.543 1.00 0.00 H ATOM 92 HA ILE A 6 -4.068 1.095 0.646 1.00 0.00 H ATOM 93 HB ILE A 6 -6.408 1.852 1.896 1.00 0.00 H ATOM 94 1HG1 ILE A 6 -3.581 2.617 2.840 1.00 0.00 H ATOM 95 2HG1 ILE A 6 -4.328 3.196 1.363 1.00 0.00 H ATOM 96 1HG2 ILE A 6 -4.822 0.839 4.312 1.00 0.00 H ATOM 97 2HG2 ILE A 6 -6.400 1.664 4.278 1.00 0.00 H ATOM 98 3HG2 ILE A 6 -6.242 0.012 3.657 1.00 0.00 H ATOM 99 1HD1 ILE A 6 -5.351 3.826 4.194 1.00 0.00 H ATOM 100 2HD1 ILE A 6 -4.534 4.926 3.063 1.00 0.00 H ATOM 101 3HD1 ILE A 6 -6.166 4.325 2.686 1.00 0.00 H ATOM 102 N THR A 7 -4.277 -1.841 2.010 1.00 0.00 N ATOM 103 CA THR A 7 -3.480 -2.991 2.509 1.00 0.00 C ATOM 104 C THR A 7 -2.491 -3.542 1.447 1.00 0.00 C ATOM 105 O THR A 7 -1.323 -3.701 1.801 1.00 0.00 O ATOM 106 CB THR A 7 -4.433 -4.050 3.146 1.00 0.00 C ATOM 107 OG1 THR A 7 -5.103 -3.467 4.260 1.00 0.00 O ATOM 108 CG2 THR A 7 -3.770 -5.340 3.661 1.00 0.00 C ATOM 109 H THR A 7 -5.189 -1.990 1.565 1.00 0.00 H ATOM 110 HA THR A 7 -2.843 -2.617 3.321 1.00 0.00 H ATOM 111 HB THR A 7 -5.200 -4.346 2.406 1.00 0.00 H ATOM 112 HG1 THR A 7 -5.495 -2.653 3.934 1.00 0.00 H ATOM 113 1HG2 THR A 7 -4.507 -5.994 4.164 1.00 0.00 H ATOM 114 2HG2 THR A 7 -3.331 -5.932 2.838 1.00 0.00 H ATOM 115 3HG2 THR A 7 -2.965 -5.133 4.390 1.00 0.00 H HETATM 116 N AIB A 8 -2.899 -3.806 0.182 1.00 0.00 N HETATM 117 CA AIB A 8 -1.952 -4.121 -0.949 1.00 0.00 C HETATM 118 C AIB A 8 -0.835 -3.026 -1.196 1.00 0.00 C HETATM 119 O1 AIB A 8 0.329 -3.336 -1.474 1.00 0.00 O HETATM 120 CB1 AIB A 8 -2.819 -4.207 -2.232 1.00 0.00 C HETATM 121 CB2 AIB A 8 -1.334 -5.536 -0.731 1.00 0.00 C HETATM 122 2HN AIB A 8 -3.869 -3.501 0.001 1.00 0.00 H HETATM 123 1HB1 AIB A 8 -3.286 -3.235 -2.480 1.00 0.00 H HETATM 124 2HB1 AIB A 8 -2.224 -4.496 -3.121 1.00 0.00 H HETATM 125 3HB1 AIB A 8 -3.644 -4.944 -2.149 1.00 0.00 H HETATM 126 1HB2 AIB A 8 -2.103 -6.320 -0.592 1.00 0.00 H HETATM 127 2HB2 AIB A 8 -0.700 -5.852 -1.583 1.00 0.00 H HETATM 128 3HB2 AIB A 8 -0.682 -5.568 0.161 1.00 0.00 H ATOM 129 N LEU A 9 -1.210 -1.737 -1.086 1.00 0.00 N ATOM 130 CA LEU A 9 -0.287 -0.577 -1.194 1.00 0.00 C ATOM 131 C LEU A 9 0.488 -0.197 0.112 1.00 0.00 C ATOM 132 O LEU A 9 1.447 0.575 -0.004 1.00 0.00 O ATOM 133 CB LEU A 9 -1.108 0.604 -1.785 1.00 0.00 C ATOM 134 CG LEU A 9 -1.428 0.486 -3.309 1.00 0.00 C ATOM 135 CD1 LEU A 9 -2.749 1.175 -3.700 1.00 0.00 C ATOM 136 CD2 LEU A 9 -0.266 1.018 -4.172 1.00 0.00 C ATOM 137 H LEU A 9 -2.188 -1.607 -0.807 1.00 0.00 H ATOM 138 HA LEU A 9 0.497 -0.805 -1.937 1.00 0.00 H ATOM 139 1HB LEU A 9 -2.039 0.724 -1.199 1.00 0.00 H ATOM 140 2HB LEU A 9 -0.567 1.551 -1.611 1.00 0.00 H ATOM 141 HG LEU A 9 -1.568 -0.583 -3.553 1.00 0.00 H ATOM 142 1HD1 LEU A 9 -2.746 2.256 -3.468 1.00 0.00 H ATOM 143 2HD1 LEU A 9 -2.954 1.070 -4.783 1.00 0.00 H ATOM 144 3HD1 LEU A 9 -3.614 0.727 -3.178 1.00 0.00 H ATOM 145 1HD2 LEU A 9 0.687 0.511 -3.935 1.00 0.00 H ATOM 146 2HD2 LEU A 9 -0.449 0.871 -5.254 1.00 0.00 H ATOM 147 3HD2 LEU A 9 -0.106 2.102 -4.010 1.00 0.00 H HETATM 148 N AIB A 10 0.139 -0.730 1.318 1.00 0.00 N HETATM 149 CA AIB A 10 0.936 -0.581 2.583 1.00 0.00 C HETATM 150 C AIB A 10 2.422 -1.134 2.427 1.00 0.00 C HETATM 151 O1 AIB A 10 3.342 -0.344 2.660 1.00 0.00 O HETATM 152 CB1 AIB A 10 0.187 -1.334 3.720 1.00 0.00 C HETATM 153 CB2 AIB A 10 0.892 0.922 3.019 1.00 0.00 C HETATM 154 2HN AIB A 10 -0.589 -1.458 1.253 1.00 0.00 H HETATM 155 1HB1 AIB A 10 -0.032 -2.388 3.475 1.00 0.00 H HETATM 156 2HB1 AIB A 10 0.762 -1.349 4.668 1.00 0.00 H HETATM 157 3HB1 AIB A 10 -0.791 -0.876 3.964 1.00 0.00 H HETATM 158 1HB2 AIB A 10 -0.143 1.312 3.076 1.00 0.00 H HETATM 159 2HB2 AIB A 10 1.359 1.093 4.009 1.00 0.00 H HETATM 160 3HB2 AIB A 10 1.433 1.577 2.311 1.00 0.00 H HETATM 161 N HYP A 11 2.756 -2.394 1.980 1.00 0.00 N HETATM 162 CA HYP A 11 4.136 -2.781 1.567 1.00 0.00 C HETATM 163 C HYP A 11 4.736 -2.113 0.279 1.00 0.00 C HETATM 164 O HYP A 11 5.939 -2.285 0.050 1.00 0.00 O HETATM 165 CB HYP A 11 4.031 -4.315 1.440 1.00 0.00 C HETATM 166 CG HYP A 11 2.583 -4.572 1.031 1.00 0.00 C HETATM 167 CD HYP A 11 1.809 -3.509 1.808 1.00 0.00 C HETATM 168 OD HYP A 11 2.140 -5.877 1.379 1.00 0.00 O HETATM 169 HA HYP A 11 4.829 -2.563 2.399 1.00 0.00 H HETATM 170 1HB HYP A 11 4.753 -4.751 0.725 1.00 0.00 H HETATM 171 2HB HYP A 11 4.239 -4.794 2.415 1.00 0.00 H HETATM 172 1HD HYP A 11 0.917 -3.217 1.239 1.00 0.00 H HETATM 173 2HD HYP A 11 1.497 -3.892 2.801 1.00 0.00 H HETATM 174 HOD HYP A 11 1.732 -5.799 2.244 1.00 0.00 H HETATM 175 HG HYP A 11 2.470 -4.412 -0.058 1.00 0.00 H ATOM 176 N GLN A 12 3.970 -1.312 -0.502 1.00 0.00 N ATOM 177 CA GLN A 12 4.528 -0.424 -1.562 1.00 0.00 C ATOM 178 C GLN A 12 4.800 1.054 -1.133 1.00 0.00 C ATOM 179 O GLN A 12 5.095 1.862 -2.014 1.00 0.00 O ATOM 180 CB GLN A 12 3.624 -0.464 -2.825 1.00 0.00 C ATOM 181 CG GLN A 12 3.320 -1.865 -3.393 1.00 0.00 C ATOM 182 CD GLN A 12 2.650 -1.833 -4.777 1.00 0.00 C ATOM 183 OE1 GLN A 12 3.201 -1.318 -5.750 1.00 0.00 O ATOM 184 NE2 GLN A 12 1.459 -2.384 -4.915 1.00 0.00 N ATOM 185 H GLN A 12 3.020 -1.127 -0.177 1.00 0.00 H ATOM 186 HA GLN A 12 5.524 -0.802 -1.835 1.00 0.00 H ATOM 187 1HB GLN A 12 2.670 0.056 -2.621 1.00 0.00 H ATOM 188 2HB GLN A 12 4.111 0.138 -3.611 1.00 0.00 H ATOM 189 1HG GLN A 12 4.260 -2.445 -3.455 1.00 0.00 H ATOM 190 2HG GLN A 12 2.693 -2.396 -2.643 1.00 0.00 H ATOM 191 1HE2 GLN A 12 1.059 -2.351 -5.861 1.00 0.00 H ATOM 192 2HE2 GLN A 12 1.056 -2.826 -4.083 1.00 0.00 H HETATM 193 N AIB A 13 4.773 1.395 0.179 1.00 0.00 N HETATM 194 CA AIB A 13 5.570 2.497 0.814 1.00 0.00 C HETATM 195 C AIB A 13 7.071 1.977 1.041 1.00 0.00 C HETATM 196 O1 AIB A 13 7.988 2.539 0.419 1.00 0.00 O HETATM 197 CB1 AIB A 13 4.807 2.876 2.124 1.00 0.00 C HETATM 198 CB2 AIB A 13 5.519 3.825 0.002 1.00 0.00 C HETATM 199 2HN AIB A 13 4.450 0.618 0.767 1.00 0.00 H HETATM 200 1HB1 AIB A 13 4.402 2.013 2.682 1.00 0.00 H HETATM 201 2HB1 AIB A 13 5.440 3.448 2.828 1.00 0.00 H HETATM 202 3HB1 AIB A 13 3.905 3.493 1.934 1.00 0.00 H HETATM 203 1HB2 AIB A 13 4.480 4.096 -0.271 1.00 0.00 H HETATM 204 2HB2 AIB A 13 5.952 4.671 0.560 1.00 0.00 H HETATM 205 3HB2 AIB A 13 6.086 3.751 -0.939 1.00 0.00 H HETATM 206 N HYP A 14 7.421 0.904 1.833 1.00 0.00 N HETATM 207 CA HYP A 14 8.816 0.422 1.996 1.00 0.00 C HETATM 208 C HYP A 14 9.532 -0.204 0.763 1.00 0.00 C HETATM 209 O HYP A 14 10.736 0.031 0.637 1.00 0.00 O HETATM 210 CB HYP A 14 8.757 -0.564 3.180 1.00 0.00 C HETATM 211 CG HYP A 14 7.286 -0.909 3.423 1.00 0.00 C HETATM 212 CD HYP A 14 6.473 0.090 2.602 1.00 0.00 C HETATM 213 OD HYP A 14 6.970 -0.803 4.807 1.00 0.00 O HETATM 214 HA HYP A 14 9.428 1.284 2.329 1.00 0.00 H HETATM 215 1HB HYP A 14 9.334 -1.490 2.993 1.00 0.00 H HETATM 216 2HB HYP A 14 9.205 -0.103 4.080 1.00 0.00 H HETATM 217 1HD HYP A 14 5.799 -0.437 1.921 1.00 0.00 H HETATM 218 2HD HYP A 14 5.846 0.703 3.250 1.00 0.00 H HETATM 219 HOD HYP A 14 7.201 0.095 5.055 1.00 0.00 H HETATM 220 HG HYP A 14 7.070 -1.941 3.085 1.00 0.00 H HETATM 221 N AIB A 15 8.857 -1.002 -0.109 1.00 0.00 N HETATM 222 CA AIB A 15 9.476 -1.627 -1.324 1.00 0.00 C HETATM 223 C AIB A 15 10.128 -0.572 -2.317 1.00 0.00 C HETATM 224 O1 AIB A 15 11.283 -0.784 -2.712 1.00 0.00 O HETATM 225 CB1 AIB A 15 8.385 -2.460 -2.049 1.00 0.00 C HETATM 226 CB2 AIB A 15 10.529 -2.671 -0.843 1.00 0.00 C HETATM 227 2HN AIB A 15 7.832 -0.945 -0.049 1.00 0.00 H HETATM 228 1HB1 AIB A 15 7.506 -1.866 -2.346 1.00 0.00 H HETATM 229 2HB1 AIB A 15 8.770 -2.929 -2.975 1.00 0.00 H HETATM 230 3HB1 AIB A 15 7.988 -3.278 -1.416 1.00 0.00 H HETATM 231 1HB2 AIB A 15 10.117 -3.378 -0.099 1.00 0.00 H HETATM 232 2HB2 AIB A 15 10.934 -3.262 -1.686 1.00 0.00 H HETATM 233 3HB2 AIB A 15 11.401 -2.181 -0.367 1.00 0.00 H ATOM 234 N PRO A 16 9.526 0.599 -2.704 1.00 0.00 N ATOM 235 CA PRO A 16 10.287 1.743 -3.269 1.00 0.00 C ATOM 236 C PRO A 16 11.199 2.554 -2.303 1.00 0.00 C ATOM 237 O PRO A 16 12.195 3.109 -2.777 1.00 0.00 O ATOM 238 CB PRO A 16 9.196 2.596 -3.939 1.00 0.00 C ATOM 239 CG PRO A 16 7.904 2.287 -3.184 1.00 0.00 C ATOM 240 CD PRO A 16 8.102 0.922 -2.514 1.00 0.00 C ATOM 241 HA PRO A 16 10.958 1.361 -4.042 1.00 0.00 H ATOM 242 1HB PRO A 16 9.421 3.679 -3.939 1.00 0.00 H ATOM 243 2HB PRO A 16 9.083 2.309 -5.003 1.00 0.00 H ATOM 244 1HG PRO A 16 7.732 3.059 -2.412 1.00 0.00 H ATOM 245 2HG PRO A 16 7.024 2.306 -3.853 1.00 0.00 H ATOM 246 1HD PRO A 16 7.844 0.992 -1.449 1.00 0.00 H ATOM 247 2HD PRO A 16 7.443 0.143 -2.922 1.00 0.00 H HETATM 248 N PHL A 17 10.853 2.665 -1.007 1.00 0.00 N HETATM 249 CA PHL A 17 11.474 3.676 -0.108 1.00 0.00 C HETATM 250 C PHL A 17 11.998 3.046 1.198 1.00 0.00 C HETATM 251 O PHL A 17 13.021 2.092 0.940 1.00 0.00 O HETATM 252 CB PHL A 17 10.454 4.810 0.181 1.00 0.00 C HETATM 253 CG PHL A 17 9.973 5.633 -1.038 1.00 0.00 C HETATM 254 CD1 PHL A 17 10.897 6.267 -1.875 1.00 0.00 C HETATM 255 CD2 PHL A 17 8.611 5.700 -1.349 1.00 0.00 C HETATM 256 CE1 PHL A 17 10.467 6.943 -3.014 1.00 0.00 C HETATM 257 CE2 PHL A 17 8.181 6.382 -2.485 1.00 0.00 C HETATM 258 CZ PHL A 17 9.110 7.004 -3.315 1.00 0.00 C HETATM 259 H1 PHL A 17 11.185 2.578 1.781 1.00 0.00 H HETATM 260 H2 PHL A 17 12.420 3.837 1.848 1.00 0.00 H HETATM 261 HO PHL A 17 13.674 2.212 1.635 1.00 0.00 H HETATM 262 HA PHL A 17 12.358 4.148 -0.580 1.00 0.00 H HETATM 263 2HN PHL A 17 9.983 2.160 -0.771 1.00 0.00 H HETATM 264 1HB PHL A 17 9.594 4.356 0.707 1.00 0.00 H HETATM 265 2HB PHL A 17 10.894 5.512 0.910 1.00 0.00 H HETATM 266 HD1 PHL A 17 11.955 6.205 -1.668 1.00 0.00 H HETATM 267 HD2 PHL A 17 7.882 5.207 -0.725 1.00 0.00 H HETATM 268 HE1 PHL A 17 11.190 7.409 -3.667 1.00 0.00 H HETATM 269 HE2 PHL A 17 7.128 6.423 -2.726 1.00 0.00 H HETATM 270 HZ PHL A 17 8.779 7.534 -4.196 1.00 0.00 H TER 271 PHL A 17 ENDMDL MODEL 6 HETATM 1 C ACE A 1 -11.682 -1.803 -1.052 1.00 0.00 C HETATM 2 O ACE A 1 -10.580 -1.874 -1.598 1.00 0.00 O HETATM 3 CH3 ACE A 1 -12.607 -3.014 -1.049 1.00 0.00 C HETATM 4 1H ACE A 1 -13.664 -2.742 -1.225 1.00 0.00 H HETATM 5 2H ACE A 1 -12.314 -3.734 -1.834 1.00 0.00 H HETATM 6 3H ACE A 1 -12.551 -3.547 -0.081 1.00 0.00 H ATOM 7 N TRP A 2 -12.122 -0.713 -0.401 1.00 0.00 N ATOM 8 CA TRP A 2 -11.238 0.454 -0.099 1.00 0.00 C ATOM 9 C TRP A 2 -10.170 0.186 1.006 1.00 0.00 C ATOM 10 O TRP A 2 -9.017 0.585 0.820 1.00 0.00 O ATOM 11 CB TRP A 2 -12.057 1.745 0.213 1.00 0.00 C ATOM 12 CG TRP A 2 -12.325 2.712 -0.956 1.00 0.00 C ATOM 13 CD1 TRP A 2 -11.425 3.063 -1.993 1.00 0.00 C ATOM 14 CD2 TRP A 2 -13.376 3.609 -1.074 1.00 0.00 C ATOM 15 NE1 TRP A 2 -11.899 4.137 -2.766 1.00 0.00 N ATOM 16 CE2 TRP A 2 -13.098 4.476 -2.164 1.00 0.00 C ATOM 17 CE3 TRP A 2 -14.518 3.827 -0.262 1.00 0.00 C ATOM 18 CZ2 TRP A 2 -13.946 5.580 -2.427 1.00 0.00 C ATOM 19 CZ3 TRP A 2 -15.350 4.908 -0.554 1.00 0.00 C ATOM 20 CH2 TRP A 2 -15.064 5.776 -1.618 1.00 0.00 C ATOM 21 H TRP A 2 -13.072 -0.790 -0.022 1.00 0.00 H ATOM 22 HA TRP A 2 -10.647 0.646 -1.014 1.00 0.00 H ATOM 23 1HB TRP A 2 -13.007 1.480 0.716 1.00 0.00 H ATOM 24 2HB TRP A 2 -11.535 2.351 0.978 1.00 0.00 H ATOM 25 HD1 TRP A 2 -10.449 2.621 -2.136 1.00 0.00 H ATOM 26 HE1 TRP A 2 -11.411 4.635 -3.518 1.00 0.00 H ATOM 27 HE3 TRP A 2 -14.737 3.184 0.579 1.00 0.00 H ATOM 28 HZ2 TRP A 2 -13.720 6.276 -3.224 1.00 0.00 H ATOM 29 HZ3 TRP A 2 -16.217 5.092 0.062 1.00 0.00 H ATOM 30 HH2 TRP A 2 -15.711 6.620 -1.801 1.00 0.00 H ATOM 31 N ILE A 3 -10.517 -0.490 2.122 1.00 0.00 N ATOM 32 CA ILE A 3 -9.507 -0.973 3.118 1.00 0.00 C ATOM 33 C ILE A 3 -8.528 -2.075 2.587 1.00 0.00 C ATOM 34 O ILE A 3 -7.339 -2.012 2.901 1.00 0.00 O ATOM 35 CB ILE A 3 -10.133 -1.308 4.523 1.00 0.00 C ATOM 36 CG1 ILE A 3 -11.187 -2.463 4.554 1.00 0.00 C ATOM 37 CG2 ILE A 3 -10.709 -0.044 5.208 1.00 0.00 C ATOM 38 CD1 ILE A 3 -10.622 -3.852 4.887 1.00 0.00 C ATOM 39 H ILE A 3 -11.499 -0.792 2.159 1.00 0.00 H ATOM 40 HA ILE A 3 -8.834 -0.109 3.281 1.00 0.00 H ATOM 41 HB ILE A 3 -9.292 -1.602 5.183 1.00 0.00 H ATOM 42 1HG1 ILE A 3 -11.976 -2.262 5.303 1.00 0.00 H ATOM 43 2HG1 ILE A 3 -11.732 -2.513 3.594 1.00 0.00 H ATOM 44 1HG2 ILE A 3 -11.600 0.347 4.680 1.00 0.00 H ATOM 45 2HG2 ILE A 3 -11.015 -0.248 6.252 1.00 0.00 H ATOM 46 3HG2 ILE A 3 -9.969 0.777 5.251 1.00 0.00 H ATOM 47 1HD1 ILE A 3 -10.203 -3.882 5.910 1.00 0.00 H ATOM 48 2HD1 ILE A 3 -11.415 -4.622 4.840 1.00 0.00 H ATOM 49 3HD1 ILE A 3 -9.823 -4.166 4.192 1.00 0.00 H ATOM 50 N GLN A 4 -8.996 -3.018 1.742 1.00 0.00 N ATOM 51 CA GLN A 4 -8.128 -3.889 0.902 1.00 0.00 C ATOM 52 C GLN A 4 -7.127 -3.137 -0.024 1.00 0.00 C ATOM 53 O GLN A 4 -5.962 -3.533 -0.051 1.00 0.00 O ATOM 54 CB GLN A 4 -9.018 -4.878 0.088 1.00 0.00 C ATOM 55 CG GLN A 4 -9.118 -6.317 0.647 1.00 0.00 C ATOM 56 CD GLN A 4 -7.955 -7.231 0.211 1.00 0.00 C ATOM 57 OE1 GLN A 4 -7.822 -7.574 -0.964 1.00 0.00 O ATOM 58 NE2 GLN A 4 -7.100 -7.658 1.126 1.00 0.00 N ATOM 59 H GLN A 4 -10.002 -2.956 1.564 1.00 0.00 H ATOM 60 HA GLN A 4 -7.496 -4.473 1.597 1.00 0.00 H ATOM 61 1HB GLN A 4 -10.047 -4.484 -0.018 1.00 0.00 H ATOM 62 2HB GLN A 4 -8.686 -4.945 -0.965 1.00 0.00 H ATOM 63 1HG GLN A 4 -9.245 -6.297 1.749 1.00 0.00 H ATOM 64 2HG GLN A 4 -10.051 -6.777 0.270 1.00 0.00 H ATOM 65 1HE2 GLN A 4 -6.355 -8.279 0.793 1.00 0.00 H ATOM 66 2HE2 GLN A 4 -7.291 -7.403 2.102 1.00 0.00 H HETATM 67 N DIV A 5 -7.556 -2.083 -0.765 1.00 0.00 N HETATM 68 CA DIV A 5 -6.697 -1.251 -1.660 1.00 0.00 C HETATM 69 CB1 DIV A 5 -6.188 -2.153 -2.834 1.00 0.00 C HETATM 70 CG1 DIV A 5 -7.171 -2.700 -3.889 1.00 0.00 C HETATM 71 CB2 DIV A 5 -7.603 -0.121 -2.245 1.00 0.00 C HETATM 72 C DIV A 5 -5.504 -0.548 -0.883 1.00 0.00 C HETATM 73 O DIV A 5 -4.339 -0.646 -1.284 1.00 0.00 O HETATM 74 2HN DIV A 5 -8.511 -1.781 -0.597 1.00 0.00 H HETATM 75 1HB1 DIV A 5 -5.421 -1.576 -3.343 1.00 0.00 H HETATM 76 2HB1 DIV A 5 -5.626 -3.014 -2.437 1.00 0.00 H HETATM 77 1HG1 DIV A 5 -7.642 -1.890 -4.475 1.00 0.00 H HETATM 78 2HG1 DIV A 5 -6.646 -3.350 -4.612 1.00 0.00 H HETATM 79 3HG1 DIV A 5 -7.979 -3.298 -3.428 1.00 0.00 H HETATM 80 1HB2 DIV A 5 -7.992 0.563 -1.470 1.00 0.00 H HETATM 81 2HB2 DIV A 5 -7.056 0.512 -2.970 1.00 0.00 H HETATM 82 3HB2 DIV A 5 -8.493 -0.509 -2.775 1.00 0.00 H ATOM 83 N ILE A 6 -5.795 0.131 0.253 1.00 0.00 N ATOM 84 CA ILE A 6 -4.761 0.714 1.168 1.00 0.00 C ATOM 85 C ILE A 6 -3.838 -0.378 1.839 1.00 0.00 C ATOM 86 O ILE A 6 -2.667 -0.087 2.087 1.00 0.00 O ATOM 87 CB ILE A 6 -5.452 1.692 2.193 1.00 0.00 C ATOM 88 CG1 ILE A 6 -6.249 2.866 1.531 1.00 0.00 C ATOM 89 CG2 ILE A 6 -4.479 2.323 3.228 1.00 0.00 C ATOM 90 CD1 ILE A 6 -7.446 3.350 2.367 1.00 0.00 C ATOM 91 H ILE A 6 -6.792 0.141 0.495 1.00 0.00 H ATOM 92 HA ILE A 6 -4.089 1.334 0.542 1.00 0.00 H ATOM 93 HB ILE A 6 -6.168 1.077 2.772 1.00 0.00 H ATOM 94 1HG1 ILE A 6 -5.580 3.721 1.308 1.00 0.00 H ATOM 95 2HG1 ILE A 6 -6.645 2.576 0.540 1.00 0.00 H ATOM 96 1HG2 ILE A 6 -3.668 2.894 2.739 1.00 0.00 H ATOM 97 2HG2 ILE A 6 -4.996 3.023 3.912 1.00 0.00 H ATOM 98 3HG2 ILE A 6 -4.005 1.562 3.874 1.00 0.00 H ATOM 99 1HD1 ILE A 6 -7.140 3.706 3.367 1.00 0.00 H ATOM 100 2HD1 ILE A 6 -7.973 4.185 1.871 1.00 0.00 H ATOM 101 3HD1 ILE A 6 -8.181 2.539 2.517 1.00 0.00 H ATOM 102 N THR A 7 -4.338 -1.610 2.095 1.00 0.00 N ATOM 103 CA THR A 7 -3.524 -2.768 2.566 1.00 0.00 C ATOM 104 C THR A 7 -2.542 -3.345 1.501 1.00 0.00 C ATOM 105 O THR A 7 -1.381 -3.533 1.860 1.00 0.00 O ATOM 106 CB THR A 7 -4.450 -3.823 3.244 1.00 0.00 C ATOM 107 OG1 THR A 7 -5.140 -3.214 4.332 1.00 0.00 O ATOM 108 CG2 THR A 7 -3.741 -5.065 3.818 1.00 0.00 C ATOM 109 H THR A 7 -5.328 -1.712 1.854 1.00 0.00 H ATOM 110 HA THR A 7 -2.875 -2.385 3.367 1.00 0.00 H ATOM 111 HB THR A 7 -5.203 -4.173 2.514 1.00 0.00 H ATOM 112 HG1 THR A 7 -5.470 -2.378 3.993 1.00 0.00 H ATOM 113 1HG2 THR A 7 -4.450 -5.724 4.353 1.00 0.00 H ATOM 114 2HG2 THR A 7 -3.277 -5.676 3.021 1.00 0.00 H ATOM 115 3HG2 THR A 7 -2.943 -4.790 4.533 1.00 0.00 H HETATM 116 N AIB A 8 -2.944 -3.587 0.229 1.00 0.00 N HETATM 117 CA AIB A 8 -1.988 -3.870 -0.907 1.00 0.00 C HETATM 118 C AIB A 8 -0.866 -2.768 -1.109 1.00 0.00 C HETATM 119 O1 AIB A 8 0.300 -3.074 -1.372 1.00 0.00 O HETATM 120 CB1 AIB A 8 -2.841 -3.918 -2.201 1.00 0.00 C HETATM 121 CB2 AIB A 8 -1.359 -5.285 -0.733 1.00 0.00 C HETATM 122 2HN AIB A 8 -3.914 -3.288 0.059 1.00 0.00 H HETATM 123 1HB1 AIB A 8 -3.321 -2.946 -2.420 1.00 0.00 H HETATM 124 2HB1 AIB A 8 -2.231 -4.164 -3.090 1.00 0.00 H HETATM 125 3HB1 AIB A 8 -3.652 -4.670 -2.154 1.00 0.00 H HETATM 126 1HB2 AIB A 8 -2.119 -6.082 -0.623 1.00 0.00 H HETATM 127 2HB2 AIB A 8 -0.724 -5.563 -1.597 1.00 0.00 H HETATM 128 3HB2 AIB A 8 -0.703 -5.340 0.156 1.00 0.00 H ATOM 129 N LEU A 9 -1.246 -1.481 -0.968 1.00 0.00 N ATOM 130 CA LEU A 9 -0.312 -0.326 -1.019 1.00 0.00 C ATOM 131 C LEU A 9 0.562 -0.080 0.259 1.00 0.00 C ATOM 132 O LEU A 9 1.548 0.652 0.140 1.00 0.00 O ATOM 133 CB LEU A 9 -1.145 0.923 -1.427 1.00 0.00 C ATOM 134 CG LEU A 9 -1.599 0.970 -2.919 1.00 0.00 C ATOM 135 CD1 LEU A 9 -2.792 1.920 -3.136 1.00 0.00 C ATOM 136 CD2 LEU A 9 -0.441 1.360 -3.860 1.00 0.00 C ATOM 137 H LEU A 9 -2.226 -1.358 -0.692 1.00 0.00 H ATOM 138 HA LEU A 9 0.411 -0.495 -1.838 1.00 0.00 H ATOM 139 1HB LEU A 9 -2.022 0.999 -0.756 1.00 0.00 H ATOM 140 2HB LEU A 9 -0.563 1.837 -1.214 1.00 0.00 H ATOM 141 HG LEU A 9 -1.949 -0.034 -3.217 1.00 0.00 H ATOM 142 1HD1 LEU A 9 -2.555 2.962 -2.848 1.00 0.00 H ATOM 143 2HD1 LEU A 9 -3.109 1.936 -4.197 1.00 0.00 H ATOM 144 3HD1 LEU A 9 -3.678 1.610 -2.551 1.00 0.00 H ATOM 145 1HD2 LEU A 9 0.415 0.668 -3.775 1.00 0.00 H ATOM 146 2HD2 LEU A 9 -0.750 1.349 -4.922 1.00 0.00 H ATOM 147 3HD2 LEU A 9 -0.058 2.374 -3.638 1.00 0.00 H HETATM 148 N AIB A 10 0.249 -0.672 1.446 1.00 0.00 N HETATM 149 CA AIB A 10 1.078 -0.604 2.696 1.00 0.00 C HETATM 150 C AIB A 10 2.541 -1.198 2.486 1.00 0.00 C HETATM 151 O1 AIB A 10 3.490 -0.451 2.735 1.00 0.00 O HETATM 152 CB1 AIB A 10 0.306 -1.372 3.809 1.00 0.00 C HETATM 153 CB2 AIB A 10 1.100 0.878 3.197 1.00 0.00 C HETATM 154 2HN AIB A 10 -0.548 -1.319 1.386 1.00 0.00 H HETATM 155 1HB1 AIB A 10 0.093 -2.423 3.551 1.00 0.00 H HETATM 156 2HB1 AIB A 10 0.856 -1.398 4.770 1.00 0.00 H HETATM 157 3HB1 AIB A 10 -0.682 -0.919 4.030 1.00 0.00 H HETATM 158 1HB2 AIB A 10 0.084 1.306 3.299 1.00 0.00 H HETATM 159 2HB2 AIB A 10 1.596 0.988 4.181 1.00 0.00 H HETATM 160 3HB2 AIB A 10 1.649 1.543 2.506 1.00 0.00 H HETATM 161 N HYP A 11 2.824 -2.444 1.969 1.00 0.00 N HETATM 162 CA HYP A 11 4.178 -2.836 1.473 1.00 0.00 C HETATM 163 C HYP A 11 4.743 -2.112 0.203 1.00 0.00 C HETATM 164 O HYP A 11 5.930 -2.311 -0.087 1.00 0.00 O HETATM 165 CB HYP A 11 4.045 -4.358 1.277 1.00 0.00 C HETATM 166 CG HYP A 11 2.562 -4.607 1.007 1.00 0.00 C HETATM 167 CD HYP A 11 1.857 -3.546 1.851 1.00 0.00 C HETATM 168 OD HYP A 11 2.167 -5.914 1.405 1.00 0.00 O HETATM 169 HA HYP A 11 4.909 -2.673 2.285 1.00 0.00 H HETATM 170 1HB HYP A 11 4.687 -4.762 0.471 1.00 0.00 H HETATM 171 2HB HYP A 11 4.352 -4.884 2.200 1.00 0.00 H HETATM 172 1HD HYP A 11 0.927 -3.237 1.356 1.00 0.00 H HETATM 173 2HD HYP A 11 1.612 -3.938 2.859 1.00 0.00 H HETATM 174 HOD HYP A 11 1.214 -5.883 1.515 1.00 0.00 H HETATM 175 HG HYP A 11 2.340 -4.454 -0.068 1.00 0.00 H ATOM 176 N GLN A 12 3.977 -1.240 -0.491 1.00 0.00 N ATOM 177 CA GLN A 12 4.522 -0.304 -1.516 1.00 0.00 C ATOM 178 C GLN A 12 4.823 1.144 -1.012 1.00 0.00 C ATOM 179 O GLN A 12 5.069 2.009 -1.855 1.00 0.00 O ATOM 180 CB GLN A 12 3.585 -0.259 -2.753 1.00 0.00 C ATOM 181 CG GLN A 12 3.249 -1.621 -3.390 1.00 0.00 C ATOM 182 CD GLN A 12 2.503 -1.491 -4.733 1.00 0.00 C ATOM 183 OE1 GLN A 12 2.991 -0.893 -5.689 1.00 0.00 O ATOM 184 NE2 GLN A 12 1.308 -2.043 -4.840 1.00 0.00 N ATOM 185 H GLN A 12 3.044 -1.055 -0.119 1.00 0.00 H ATOM 186 HA GLN A 12 5.504 -0.684 -1.843 1.00 0.00 H ATOM 187 1HB GLN A 12 2.644 0.261 -2.500 1.00 0.00 H ATOM 188 2HB GLN A 12 4.063 0.376 -3.518 1.00 0.00 H ATOM 189 1HG GLN A 12 4.182 -2.193 -3.544 1.00 0.00 H ATOM 190 2HG GLN A 12 2.661 -2.200 -2.646 1.00 0.00 H ATOM 191 1HE2 GLN A 12 0.865 -1.963 -5.762 1.00 0.00 H ATOM 192 2HE2 GLN A 12 0.943 -2.526 -4.014 1.00 0.00 H HETATM 193 N AIB A 13 4.870 1.402 0.316 1.00 0.00 N HETATM 194 CA AIB A 13 5.718 2.445 0.978 1.00 0.00 C HETATM 195 C AIB A 13 7.211 1.873 1.118 1.00 0.00 C HETATM 196 O1 AIB A 13 8.121 2.434 0.488 1.00 0.00 O HETATM 197 CB1 AIB A 13 5.009 2.765 2.334 1.00 0.00 C HETATM 198 CB2 AIB A 13 5.681 3.818 0.244 1.00 0.00 C HETATM 199 2HN AIB A 13 4.565 0.592 0.870 1.00 0.00 H HETATM 200 1HB1 AIB A 13 4.595 1.880 2.850 1.00 0.00 H HETATM 201 2HB1 AIB A 13 5.685 3.270 3.051 1.00 0.00 H HETATM 202 3HB1 AIB A 13 4.124 3.424 2.216 1.00 0.00 H HETATM 203 1HB2 AIB A 13 4.644 4.133 0.016 1.00 0.00 H HETATM 204 2HB2 AIB A 13 6.155 4.618 0.835 1.00 0.00 H HETATM 205 3HB2 AIB A 13 6.221 3.778 -0.715 1.00 0.00 H HETATM 206 N HYP A 14 7.553 0.752 1.843 1.00 0.00 N HETATM 207 CA HYP A 14 8.934 0.217 1.928 1.00 0.00 C HETATM 208 C HYP A 14 9.588 -0.354 0.634 1.00 0.00 C HETATM 209 O HYP A 14 10.794 -0.153 0.482 1.00 0.00 O HETATM 210 CB HYP A 14 8.879 -0.838 3.053 1.00 0.00 C HETATM 211 CG HYP A 14 7.408 -1.168 3.309 1.00 0.00 C HETATM 212 CD HYP A 14 6.608 -0.081 2.593 1.00 0.00 C HETATM 213 OD HYP A 14 7.127 -1.174 4.705 1.00 0.00 O HETATM 214 HA HYP A 14 9.584 1.036 2.290 1.00 0.00 H HETATM 215 1HB HYP A 14 9.435 -1.761 2.795 1.00 0.00 H HETATM 216 2HB HYP A 14 9.357 -0.439 3.970 1.00 0.00 H HETATM 217 1HD HYP A 14 5.887 -0.538 1.908 1.00 0.00 H HETATM 218 2HD HYP A 14 6.032 0.508 3.308 1.00 0.00 H HETATM 219 HOD HYP A 14 7.389 -0.308 5.027 1.00 0.00 H HETATM 220 HG HYP A 14 7.163 -2.161 2.891 1.00 0.00 H HETATM 221 N AIB A 15 8.860 -1.075 -0.263 1.00 0.00 N HETATM 222 CA AIB A 15 9.430 -1.647 -1.528 1.00 0.00 C HETATM 223 C AIB A 15 10.048 -0.549 -2.499 1.00 0.00 C HETATM 224 O1 AIB A 15 11.195 -0.740 -2.925 1.00 0.00 O HETATM 225 CB1 AIB A 15 8.311 -2.439 -2.249 1.00 0.00 C HETATM 226 CB2 AIB A 15 10.493 -2.724 -1.142 1.00 0.00 C HETATM 227 2HN AIB A 15 7.840 -1.001 -0.159 1.00 0.00 H HETATM 228 1HB1 AIB A 15 7.427 -1.827 -2.490 1.00 0.00 H HETATM 229 2HB1 AIB A 15 8.663 -2.866 -3.208 1.00 0.00 H HETATM 230 3HB1 AIB A 15 7.933 -3.283 -1.639 1.00 0.00 H HETATM 231 1HB2 AIB A 15 10.109 -3.459 -0.409 1.00 0.00 H HETATM 232 2HB2 AIB A 15 10.853 -3.286 -2.024 1.00 0.00 H HETATM 233 3HB2 AIB A 15 11.393 -2.266 -0.688 1.00 0.00 H ATOM 234 N PRO A 16 9.429 0.630 -2.841 1.00 0.00 N ATOM 235 CA PRO A 16 10.172 1.790 -3.401 1.00 0.00 C ATOM 236 C PRO A 16 11.152 2.538 -2.454 1.00 0.00 C ATOM 237 O PRO A 16 12.111 3.128 -2.964 1.00 0.00 O ATOM 238 CB PRO A 16 9.062 2.687 -3.978 1.00 0.00 C ATOM 239 CG PRO A 16 7.814 2.364 -3.161 1.00 0.00 C ATOM 240 CD PRO A 16 8.026 0.968 -2.557 1.00 0.00 C ATOM 241 HA PRO A 16 10.792 1.427 -4.224 1.00 0.00 H ATOM 242 1HB PRO A 16 9.306 3.765 -3.947 1.00 0.00 H ATOM 243 2HB PRO A 16 8.886 2.445 -5.042 1.00 0.00 H ATOM 244 1HG PRO A 16 7.702 3.107 -2.350 1.00 0.00 H ATOM 245 2HG PRO A 16 6.897 2.427 -3.776 1.00 0.00 H ATOM 246 1HD PRO A 16 7.831 1.001 -1.477 1.00 0.00 H ATOM 247 2HD PRO A 16 7.333 0.213 -2.960 1.00 0.00 H HETATM 248 N PHL A 17 10.911 2.552 -1.131 1.00 0.00 N HETATM 249 CA PHL A 17 11.667 3.426 -0.193 1.00 0.00 C HETATM 250 C PHL A 17 12.215 2.631 1.011 1.00 0.00 C HETATM 251 O PHL A 17 13.159 1.651 0.598 1.00 0.00 O HETATM 252 CB PHL A 17 10.752 4.588 0.276 1.00 0.00 C HETATM 253 CG PHL A 17 10.224 5.529 -0.829 1.00 0.00 C HETATM 254 CD1 PHL A 17 11.111 6.253 -1.638 1.00 0.00 C HETATM 255 CD2 PHL A 17 8.851 5.611 -1.078 1.00 0.00 C HETATM 256 CE1 PHL A 17 10.629 7.045 -2.674 1.00 0.00 C HETATM 257 CE2 PHL A 17 8.369 6.407 -2.113 1.00 0.00 C HETATM 258 CZ PHL A 17 9.256 7.128 -2.906 1.00 0.00 C HETATM 259 H1 PHL A 17 11.401 2.150 1.578 1.00 0.00 H HETATM 260 H2 PHL A 17 12.714 3.315 1.725 1.00 0.00 H HETATM 261 HO PHL A 17 13.491 1.252 1.405 1.00 0.00 H HETATM 262 HA PHL A 17 12.552 3.877 -0.688 1.00 0.00 H HETATM 263 2HN PHL A 17 10.021 2.094 -0.869 1.00 0.00 H HETATM 264 1HB PHL A 17 9.912 4.145 0.842 1.00 0.00 H HETATM 265 2HB PHL A 17 11.301 5.204 1.014 1.00 0.00 H HETATM 266 HD1 PHL A 17 12.177 6.166 -1.488 1.00 0.00 H HETATM 267 HD2 PHL A 17 8.156 5.037 -0.484 1.00 0.00 H HETATM 268 HE1 PHL A 17 11.317 7.588 -3.305 1.00 0.00 H HETATM 269 HE2 PHL A 17 7.307 6.456 -2.303 1.00 0.00 H HETATM 270 HZ PHL A 17 8.882 7.749 -3.707 1.00 0.00 H TER 271 PHL A 17 ENDMDL MODEL 7 HETATM 1 C ACE A 1 -11.467 -1.582 -1.074 1.00 0.00 C HETATM 2 O ACE A 1 -10.353 -1.608 -1.598 1.00 0.00 O HETATM 3 CH3 ACE A 1 -12.440 -2.736 -1.303 1.00 0.00 C HETATM 4 1H ACE A 1 -13.461 -2.382 -1.538 1.00 0.00 H HETATM 5 2H ACE A 1 -12.109 -3.366 -2.149 1.00 0.00 H HETATM 6 3H ACE A 1 -12.499 -3.389 -0.412 1.00 0.00 H ATOM 7 N TRP A 2 -11.890 -0.595 -0.265 1.00 0.00 N ATOM 8 CA TRP A 2 -11.037 0.586 0.096 1.00 0.00 C ATOM 9 C TRP A 2 -9.945 0.248 1.153 1.00 0.00 C ATOM 10 O TRP A 2 -8.785 0.625 0.973 1.00 0.00 O ATOM 11 CB TRP A 2 -11.818 1.852 0.576 1.00 0.00 C ATOM 12 CG TRP A 2 -13.212 2.129 -0.004 1.00 0.00 C ATOM 13 CD1 TRP A 2 -13.569 2.183 -1.370 1.00 0.00 C ATOM 14 CD2 TRP A 2 -14.393 2.292 0.697 1.00 0.00 C ATOM 15 NE1 TRP A 2 -14.953 2.357 -1.538 1.00 0.00 N ATOM 16 CE2 TRP A 2 -15.446 2.423 -0.244 1.00 0.00 C ATOM 17 CE3 TRP A 2 -14.663 2.330 2.091 1.00 0.00 C ATOM 18 CZ2 TRP A 2 -16.779 2.585 0.205 1.00 0.00 C ATOM 19 CZ3 TRP A 2 -15.984 2.501 2.507 1.00 0.00 C ATOM 20 CH2 TRP A 2 -17.026 2.623 1.580 1.00 0.00 C ATOM 21 H TRP A 2 -12.845 -0.705 0.093 1.00 0.00 H ATOM 22 HA TRP A 2 -10.511 0.899 -0.830 1.00 0.00 H ATOM 23 1HB TRP A 2 -11.913 1.833 1.679 1.00 0.00 H ATOM 24 2HB TRP A 2 -11.188 2.741 0.382 1.00 0.00 H ATOM 25 HD1 TRP A 2 -12.872 2.056 -2.186 1.00 0.00 H ATOM 26 HE1 TRP A 2 -15.484 2.382 -2.417 1.00 0.00 H ATOM 27 HE3 TRP A 2 -13.872 2.239 2.821 1.00 0.00 H ATOM 28 HZ2 TRP A 2 -17.591 2.677 -0.501 1.00 0.00 H ATOM 29 HZ3 TRP A 2 -16.202 2.540 3.565 1.00 0.00 H ATOM 30 HH2 TRP A 2 -18.037 2.753 1.934 1.00 0.00 H ATOM 31 N ILE A 3 -10.317 -0.462 2.244 1.00 0.00 N ATOM 32 CA ILE A 3 -9.356 -0.980 3.256 1.00 0.00 C ATOM 33 C ILE A 3 -8.429 -2.100 2.677 1.00 0.00 C ATOM 34 O ILE A 3 -7.230 -2.050 2.952 1.00 0.00 O ATOM 35 CB ILE A 3 -10.046 -1.382 4.619 1.00 0.00 C ATOM 36 CG1 ILE A 3 -11.080 -0.366 5.215 1.00 0.00 C ATOM 37 CG2 ILE A 3 -8.989 -1.669 5.721 1.00 0.00 C ATOM 38 CD1 ILE A 3 -12.521 -0.482 4.690 1.00 0.00 C ATOM 39 H ILE A 3 -11.313 -0.707 2.277 1.00 0.00 H ATOM 40 HA ILE A 3 -8.674 -0.135 3.456 1.00 0.00 H ATOM 41 HB ILE A 3 -10.578 -2.341 4.456 1.00 0.00 H ATOM 42 1HG1 ILE A 3 -11.161 -0.492 6.311 1.00 0.00 H ATOM 43 2HG1 ILE A 3 -10.716 0.669 5.082 1.00 0.00 H ATOM 44 1HG2 ILE A 3 -8.384 -0.773 5.958 1.00 0.00 H ATOM 45 2HG2 ILE A 3 -9.456 -2.012 6.664 1.00 0.00 H ATOM 46 3HG2 ILE A 3 -8.286 -2.470 5.428 1.00 0.00 H ATOM 47 1HD1 ILE A 3 -12.929 -1.501 4.833 1.00 0.00 H ATOM 48 2HD1 ILE A 3 -13.193 0.209 5.232 1.00 0.00 H ATOM 49 3HD1 ILE A 3 -12.613 -0.234 3.618 1.00 0.00 H ATOM 50 N GLN A 4 -8.938 -3.053 1.862 1.00 0.00 N ATOM 51 CA GLN A 4 -8.082 -3.962 1.048 1.00 0.00 C ATOM 52 C GLN A 4 -7.056 -3.254 0.112 1.00 0.00 C ATOM 53 O GLN A 4 -5.913 -3.708 0.059 1.00 0.00 O ATOM 54 CB GLN A 4 -8.965 -4.944 0.229 1.00 0.00 C ATOM 55 CG GLN A 4 -8.247 -6.266 -0.159 1.00 0.00 C ATOM 56 CD GLN A 4 -8.597 -6.822 -1.552 1.00 0.00 C ATOM 57 OE1 GLN A 4 -9.742 -6.801 -2.003 1.00 0.00 O ATOM 58 NE2 GLN A 4 -7.611 -7.356 -2.259 1.00 0.00 N ATOM 59 H GLN A 4 -9.947 -2.983 1.699 1.00 0.00 H ATOM 60 HA GLN A 4 -7.498 -4.565 1.770 1.00 0.00 H ATOM 61 1HB GLN A 4 -9.875 -5.224 0.797 1.00 0.00 H ATOM 62 2HB GLN A 4 -9.360 -4.427 -0.669 1.00 0.00 H ATOM 63 1HG GLN A 4 -7.149 -6.144 -0.072 1.00 0.00 H ATOM 64 2HG GLN A 4 -8.488 -7.039 0.597 1.00 0.00 H ATOM 65 1HE2 GLN A 4 -7.850 -7.724 -3.187 1.00 0.00 H ATOM 66 2HE2 GLN A 4 -6.692 -7.387 -1.804 1.00 0.00 H HETATM 67 N DIV A 5 -7.449 -2.177 -0.614 1.00 0.00 N HETATM 68 CA DIV A 5 -6.577 -1.387 -1.533 1.00 0.00 C HETATM 69 CB1 DIV A 5 -6.094 -2.320 -2.691 1.00 0.00 C HETATM 70 CG1 DIV A 5 -7.105 -2.938 -3.678 1.00 0.00 C HETATM 71 CB2 DIV A 5 -7.442 -0.244 -2.147 1.00 0.00 C HETATM 72 C DIV A 5 -5.368 -0.715 -0.764 1.00 0.00 C HETATM 73 O DIV A 5 -4.205 -0.926 -1.116 1.00 0.00 O HETATM 74 2HN DIV A 5 -8.389 -1.840 -0.417 1.00 0.00 H HETATM 75 1HB1 DIV A 5 -5.362 -1.742 -3.244 1.00 0.00 H HETATM 76 2HB1 DIV A 5 -5.503 -3.151 -2.280 1.00 0.00 H HETATM 77 1HG1 DIV A 5 -7.615 -2.167 -4.283 1.00 0.00 H HETATM 78 2HG1 DIV A 5 -6.599 -3.617 -4.388 1.00 0.00 H HETATM 79 3HG1 DIV A 5 -7.881 -3.530 -3.157 1.00 0.00 H HETATM 80 1HB2 DIV A 5 -7.874 0.420 -1.377 1.00 0.00 H HETATM 81 2HB2 DIV A 5 -6.852 0.402 -2.823 1.00 0.00 H HETATM 82 3HB2 DIV A 5 -8.296 -0.617 -2.740 1.00 0.00 H ATOM 83 N ILE A 6 -5.640 0.047 0.321 1.00 0.00 N ATOM 84 CA ILE A 6 -4.596 0.568 1.259 1.00 0.00 C ATOM 85 C ILE A 6 -3.777 -0.553 2.002 1.00 0.00 C ATOM 86 O ILE A 6 -2.641 -0.277 2.388 1.00 0.00 O ATOM 87 CB ILE A 6 -5.239 1.656 2.205 1.00 0.00 C ATOM 88 CG1 ILE A 6 -5.869 2.877 1.458 1.00 0.00 C ATOM 89 CG2 ILE A 6 -4.308 2.181 3.332 1.00 0.00 C ATOM 90 CD1 ILE A 6 -4.913 3.763 0.638 1.00 0.00 C ATOM 91 H ILE A 6 -6.640 0.136 0.527 1.00 0.00 H ATOM 92 HA ILE A 6 -3.846 1.096 0.640 1.00 0.00 H ATOM 93 HB ILE A 6 -6.077 1.158 2.732 1.00 0.00 H ATOM 94 1HG1 ILE A 6 -6.671 2.524 0.785 1.00 0.00 H ATOM 95 2HG1 ILE A 6 -6.401 3.517 2.185 1.00 0.00 H ATOM 96 1HG2 ILE A 6 -3.364 2.596 2.933 1.00 0.00 H ATOM 97 2HG2 ILE A 6 -4.788 2.976 3.934 1.00 0.00 H ATOM 98 3HG2 ILE A 6 -4.036 1.379 4.042 1.00 0.00 H ATOM 99 1HD1 ILE A 6 -4.413 3.198 -0.169 1.00 0.00 H ATOM 100 2HD1 ILE A 6 -5.455 4.597 0.159 1.00 0.00 H ATOM 101 3HD1 ILE A 6 -4.122 4.212 1.267 1.00 0.00 H ATOM 102 N THR A 7 -4.299 -1.788 2.168 1.00 0.00 N ATOM 103 CA THR A 7 -3.522 -2.966 2.646 1.00 0.00 C ATOM 104 C THR A 7 -2.524 -3.533 1.590 1.00 0.00 C ATOM 105 O THR A 7 -1.359 -3.693 1.947 1.00 0.00 O ATOM 106 CB THR A 7 -4.481 -4.016 3.282 1.00 0.00 C ATOM 107 OG1 THR A 7 -5.162 -3.433 4.390 1.00 0.00 O ATOM 108 CG2 THR A 7 -3.812 -5.300 3.804 1.00 0.00 C ATOM 109 H THR A 7 -5.255 -1.887 1.812 1.00 0.00 H ATOM 110 HA THR A 7 -2.884 -2.612 3.465 1.00 0.00 H ATOM 111 HB THR A 7 -5.235 -4.317 2.535 1.00 0.00 H ATOM 112 HG1 THR A 7 -5.553 -2.621 4.059 1.00 0.00 H ATOM 113 1HG2 THR A 7 -4.546 -5.950 4.315 1.00 0.00 H ATOM 114 2HG2 THR A 7 -3.376 -5.898 2.980 1.00 0.00 H ATOM 115 3HG2 THR A 7 -3.000 -5.079 4.522 1.00 0.00 H HETATM 116 N AIB A 8 -2.930 -3.822 0.332 1.00 0.00 N HETATM 117 CA AIB A 8 -1.982 -4.157 -0.795 1.00 0.00 C HETATM 118 C AIB A 8 -0.874 -3.059 -1.072 1.00 0.00 C HETATM 119 O1 AIB A 8 0.288 -3.363 -1.357 1.00 0.00 O HETATM 120 CB1 AIB A 8 -2.851 -4.292 -2.074 1.00 0.00 C HETATM 121 CB2 AIB A 8 -1.349 -5.559 -0.550 1.00 0.00 C HETATM 122 2HN AIB A 8 -3.897 -3.520 0.152 1.00 0.00 H HETATM 123 1HB1 AIB A 8 -3.320 -3.332 -2.360 1.00 0.00 H HETATM 124 2HB1 AIB A 8 -2.256 -4.616 -2.951 1.00 0.00 H HETATM 125 3HB1 AIB A 8 -3.671 -5.029 -1.960 1.00 0.00 H HETATM 126 1HB2 AIB A 8 -2.108 -6.346 -0.382 1.00 0.00 H HETATM 127 2HB2 AIB A 8 -0.727 -5.889 -1.404 1.00 0.00 H HETATM 128 3HB2 AIB A 8 -0.682 -5.563 0.332 1.00 0.00 H ATOM 129 N LEU A 9 -1.261 -1.772 -0.983 1.00 0.00 N ATOM 130 CA LEU A 9 -0.343 -0.609 -1.109 1.00 0.00 C ATOM 131 C LEU A 9 0.465 -0.230 0.179 1.00 0.00 C ATOM 132 O LEU A 9 1.415 0.546 0.042 1.00 0.00 O ATOM 133 CB LEU A 9 -1.178 0.580 -1.667 1.00 0.00 C ATOM 134 CG LEU A 9 -1.553 0.477 -3.179 1.00 0.00 C ATOM 135 CD1 LEU A 9 -2.842 1.251 -3.517 1.00 0.00 C ATOM 136 CD2 LEU A 9 -0.393 0.930 -4.090 1.00 0.00 C ATOM 137 H LEU A 9 -2.232 -1.650 -0.677 1.00 0.00 H ATOM 138 HA LEU A 9 0.419 -0.837 -1.873 1.00 0.00 H ATOM 139 1HB LEU A 9 -2.086 0.703 -1.046 1.00 0.00 H ATOM 140 2HB LEU A 9 -0.624 1.522 -1.508 1.00 0.00 H ATOM 141 HG LEU A 9 -1.769 -0.580 -3.421 1.00 0.00 H ATOM 142 1HD1 LEU A 9 -2.757 2.331 -3.293 1.00 0.00 H ATOM 143 2HD1 LEU A 9 -3.106 1.154 -4.587 1.00 0.00 H ATOM 144 3HD1 LEU A 9 -3.711 0.866 -2.951 1.00 0.00 H ATOM 145 1HD2 LEU A 9 0.534 0.362 -3.890 1.00 0.00 H ATOM 146 2HD2 LEU A 9 -0.626 0.782 -5.161 1.00 0.00 H ATOM 147 3HD2 LEU A 9 -0.154 2.001 -3.947 1.00 0.00 H HETATM 148 N AIB A 10 0.146 -0.764 1.391 1.00 0.00 N HETATM 149 CA AIB A 10 0.959 -0.603 2.642 1.00 0.00 C HETATM 150 C AIB A 10 2.440 -1.157 2.476 1.00 0.00 C HETATM 151 O1 AIB A 10 3.366 -0.371 2.706 1.00 0.00 O HETATM 152 CB1 AIB A 10 0.227 -1.348 3.795 1.00 0.00 C HETATM 153 CB2 AIB A 10 0.920 0.902 3.069 1.00 0.00 C HETATM 154 2HN AIB A 10 -0.593 -1.480 1.346 1.00 0.00 H HETATM 155 1HB1 AIB A 10 0.023 -2.409 3.572 1.00 0.00 H HETATM 156 2HB1 AIB A 10 0.809 -1.342 4.737 1.00 0.00 H HETATM 157 3HB1 AIB A 10 -0.756 -0.904 4.040 1.00 0.00 H HETATM 158 1HB2 AIB A 10 -0.113 1.292 3.146 1.00 0.00 H HETATM 159 2HB2 AIB A 10 1.408 1.079 4.046 1.00 0.00 H HETATM 160 3HB2 AIB A 10 1.447 1.550 2.345 1.00 0.00 H HETATM 161 N HYP A 11 2.766 -2.419 2.027 1.00 0.00 N HETATM 162 CA HYP A 11 4.139 -2.798 1.589 1.00 0.00 C HETATM 163 C HYP A 11 4.704 -2.126 0.290 1.00 0.00 C HETATM 164 O HYP A 11 5.902 -2.291 0.042 1.00 0.00 O HETATM 165 CB HYP A 11 4.050 -4.333 1.474 1.00 0.00 C HETATM 166 CG HYP A 11 2.593 -4.613 1.117 1.00 0.00 C HETATM 167 CD HYP A 11 1.827 -3.545 1.897 1.00 0.00 C HETATM 168 OD HYP A 11 2.191 -5.921 1.511 1.00 0.00 O HETATM 169 HA HYP A 11 4.846 -2.566 2.410 1.00 0.00 H HETATM 170 1HB HYP A 11 4.754 -4.763 0.740 1.00 0.00 H HETATM 171 2HB HYP A 11 4.293 -4.801 2.445 1.00 0.00 H HETATM 172 1HD HYP A 11 0.911 -3.269 1.352 1.00 0.00 H HETATM 173 2HD HYP A 11 1.542 -3.920 2.898 1.00 0.00 H HETATM 174 HOD HYP A 11 1.533 -5.801 2.198 1.00 0.00 H HETATM 175 HG HYP A 11 2.440 -4.484 0.026 1.00 0.00 H ATOM 176 N GLN A 12 3.916 -1.332 -0.477 1.00 0.00 N ATOM 177 CA GLN A 12 4.442 -0.446 -1.547 1.00 0.00 C ATOM 178 C GLN A 12 4.706 1.039 -1.129 1.00 0.00 C ATOM 179 O GLN A 12 4.948 1.854 -2.019 1.00 0.00 O ATOM 180 CB GLN A 12 3.512 -0.493 -2.793 1.00 0.00 C ATOM 181 CG GLN A 12 3.213 -1.894 -3.362 1.00 0.00 C ATOM 182 CD GLN A 12 2.509 -1.866 -4.735 1.00 0.00 C ATOM 183 OE1 GLN A 12 3.029 -1.344 -5.718 1.00 0.00 O ATOM 184 NE2 GLN A 12 1.325 -2.435 -4.845 1.00 0.00 N ATOM 185 H GLN A 12 2.968 -1.159 -0.133 1.00 0.00 H ATOM 186 HA GLN A 12 5.433 -0.819 -1.846 1.00 0.00 H ATOM 187 1HB GLN A 12 2.551 0.008 -2.567 1.00 0.00 H ATOM 188 2HB GLN A 12 3.972 0.120 -3.589 1.00 0.00 H ATOM 189 1HG GLN A 12 4.158 -2.463 -3.449 1.00 0.00 H ATOM 190 2HG GLN A 12 2.609 -2.430 -2.598 1.00 0.00 H ATOM 191 1HE2 GLN A 12 0.919 -2.417 -5.787 1.00 0.00 H ATOM 192 2HE2 GLN A 12 0.953 -2.901 -4.008 1.00 0.00 H HETATM 193 N AIB A 13 4.732 1.374 0.182 1.00 0.00 N HETATM 194 CA AIB A 13 5.517 2.492 0.794 1.00 0.00 C HETATM 195 C AIB A 13 7.029 1.993 0.994 1.00 0.00 C HETATM 196 O1 AIB A 13 7.930 2.555 0.346 1.00 0.00 O HETATM 197 CB1 AIB A 13 4.773 2.868 2.117 1.00 0.00 C HETATM 198 CB2 AIB A 13 5.437 3.817 -0.018 1.00 0.00 C HETATM 199 2HN AIB A 13 4.441 0.589 0.782 1.00 0.00 H HETATM 200 1HB1 AIB A 13 4.397 2.004 2.688 1.00 0.00 H HETATM 201 2HB1 AIB A 13 5.411 3.457 2.802 1.00 0.00 H HETATM 202 3HB1 AIB A 13 3.857 3.467 1.945 1.00 0.00 H HETATM 203 1HB2 AIB A 13 4.390 4.075 -0.274 1.00 0.00 H HETATM 204 2HB2 AIB A 13 5.871 4.666 0.535 1.00 0.00 H HETATM 205 3HB2 AIB A 13 5.989 3.744 -0.969 1.00 0.00 H HETATM 206 N HYP A 14 7.405 0.933 1.792 1.00 0.00 N HETATM 207 CA HYP A 14 8.810 0.469 1.937 1.00 0.00 C HETATM 208 C HYP A 14 9.503 -0.169 0.696 1.00 0.00 C HETATM 209 O HYP A 14 10.701 0.062 0.533 1.00 0.00 O HETATM 210 CB HYP A 14 8.777 -0.499 3.133 1.00 0.00 C HETATM 211 CG HYP A 14 7.315 -0.883 3.385 1.00 0.00 C HETATM 212 CD HYP A 14 6.477 0.103 2.574 1.00 0.00 C HETATM 213 OD HYP A 14 7.010 -0.792 4.773 1.00 0.00 O HETATM 214 HA HYP A 14 9.416 1.342 2.244 1.00 0.00 H HETATM 215 1HB HYP A 14 9.381 -1.407 2.965 1.00 0.00 H HETATM 216 2HB HYP A 14 9.207 -0.005 4.026 1.00 0.00 H HETATM 217 1HD HYP A 14 5.799 -0.438 1.906 1.00 0.00 H HETATM 218 2HD HYP A 14 5.852 0.704 3.232 1.00 0.00 H HETATM 219 HOD HYP A 14 7.209 0.113 5.021 1.00 0.00 H HETATM 220 HG HYP A 14 7.119 -1.916 3.044 1.00 0.00 H HETATM 221 N AIB A 15 8.808 -0.978 -0.149 1.00 0.00 N HETATM 222 CA AIB A 15 9.404 -1.612 -1.372 1.00 0.00 C HETATM 223 C AIB A 15 10.009 -0.560 -2.400 1.00 0.00 C HETATM 224 O1 AIB A 15 11.169 -0.746 -2.796 1.00 0.00 O HETATM 225 CB1 AIB A 15 8.307 -2.468 -2.054 1.00 0.00 C HETATM 226 CB2 AIB A 15 10.483 -2.637 -0.905 1.00 0.00 C HETATM 227 2HN AIB A 15 7.786 -0.942 -0.045 1.00 0.00 H HETATM 228 1HB1 AIB A 15 7.412 -1.894 -2.336 1.00 0.00 H HETATM 229 2HB1 AIB A 15 8.676 -2.937 -2.985 1.00 0.00 H HETATM 230 3HB1 AIB A 15 7.941 -3.280 -1.399 1.00 0.00 H HETATM 231 1HB2 AIB A 15 10.102 -3.339 -0.141 1.00 0.00 H HETATM 232 2HB2 AIB A 15 10.869 -3.231 -1.754 1.00 0.00 H HETATM 233 3HB2 AIB A 15 11.363 -2.135 -0.461 1.00 0.00 H ATOM 234 N PRO A 16 9.363 0.574 -2.823 1.00 0.00 N ATOM 235 CA PRO A 16 10.078 1.717 -3.444 1.00 0.00 C ATOM 236 C PRO A 16 11.012 2.568 -2.532 1.00 0.00 C ATOM 237 O PRO A 16 11.961 3.158 -3.060 1.00 0.00 O ATOM 238 CB PRO A 16 8.949 2.529 -4.100 1.00 0.00 C ATOM 239 CG PRO A 16 7.679 2.194 -3.319 1.00 0.00 C ATOM 240 CD PRO A 16 7.944 0.876 -2.585 1.00 0.00 C ATOM 241 HA PRO A 16 10.730 1.326 -4.231 1.00 0.00 H ATOM 242 1HB PRO A 16 9.139 3.619 -4.121 1.00 0.00 H ATOM 243 2HB PRO A 16 8.828 2.223 -5.155 1.00 0.00 H ATOM 244 1HG PRO A 16 7.462 2.997 -2.589 1.00 0.00 H ATOM 245 2HG PRO A 16 6.795 2.125 -3.983 1.00 0.00 H ATOM 246 1HD PRO A 16 7.726 0.999 -1.515 1.00 0.00 H ATOM 247 2HD PRO A 16 7.281 0.070 -2.925 1.00 0.00 H HETATM 248 N PHL A 17 10.746 2.653 -1.213 1.00 0.00 N HETATM 249 CA PHL A 17 11.463 3.597 -0.313 1.00 0.00 C HETATM 250 C PHL A 17 12.049 2.847 0.902 1.00 0.00 C HETATM 251 O PHL A 17 12.837 3.715 1.709 1.00 0.00 O HETATM 252 CB PHL A 17 10.504 4.743 0.104 1.00 0.00 C HETATM 253 CG PHL A 17 9.996 5.637 -1.047 1.00 0.00 C HETATM 254 CD1 PHL A 17 10.898 6.418 -1.780 1.00 0.00 C HETATM 255 CD2 PHL A 17 8.651 5.604 -1.432 1.00 0.00 C HETATM 256 CE1 PHL A 17 10.462 7.152 -2.877 1.00 0.00 C HETATM 257 CE2 PHL A 17 8.213 6.344 -2.526 1.00 0.00 C HETATM 258 CZ PHL A 17 9.118 7.118 -3.251 1.00 0.00 C HETATM 259 H1 PHL A 17 12.687 2.000 0.574 1.00 0.00 H HETATM 260 H2 PHL A 17 11.249 2.413 1.527 1.00 0.00 H HETATM 261 HO PHL A 17 12.380 4.558 1.712 1.00 0.00 H HETATM 262 HA PHL A 17 12.328 4.061 -0.823 1.00 0.00 H HETATM 263 2HN PHL A 17 9.866 2.178 -0.946 1.00 0.00 H HETATM 264 1HB PHL A 17 9.654 4.301 0.664 1.00 0.00 H HETATM 265 2HB PHL A 17 11.021 5.389 0.837 1.00 0.00 H HETATM 266 HD1 PHL A 17 11.953 6.401 -1.539 1.00 0.00 H HETATM 267 HD2 PHL A 17 7.955 4.961 -0.915 1.00 0.00 H HETATM 268 HE1 PHL A 17 11.174 7.721 -3.457 1.00 0.00 H HETATM 269 HE2 PHL A 17 7.176 6.296 -2.826 1.00 0.00 H HETATM 270 HZ PHL A 17 8.784 7.675 -4.116 1.00 0.00 H TER 271 PHL A 17 ENDMDL MODEL 8 HETATM 1 C ACE A 1 -11.562 -1.607 -1.131 1.00 0.00 C HETATM 2 O ACE A 1 -10.464 -1.648 -1.688 1.00 0.00 O HETATM 3 CH3 ACE A 1 -12.498 -2.813 -1.201 1.00 0.00 C HETATM 4 1H ACE A 1 -13.547 -2.522 -1.398 1.00 0.00 H HETATM 5 2H ACE A 1 -12.192 -3.506 -2.006 1.00 0.00 H HETATM 6 3H ACE A 1 -12.477 -3.386 -0.254 1.00 0.00 H ATOM 7 N TRP A 2 -11.998 -0.563 -0.403 1.00 0.00 N ATOM 8 CA TRP A 2 -11.118 0.586 -0.032 1.00 0.00 C ATOM 9 C TRP A 2 -10.031 0.222 1.029 1.00 0.00 C ATOM 10 O TRP A 2 -8.878 0.623 0.858 1.00 0.00 O ATOM 11 CB TRP A 2 -11.976 1.809 0.405 1.00 0.00 C ATOM 12 CG TRP A 2 -11.181 3.095 0.711 1.00 0.00 C ATOM 13 CD1 TRP A 2 -10.927 3.606 2.005 1.00 0.00 C ATOM 14 CD2 TRP A 2 -10.440 3.889 -0.150 1.00 0.00 C ATOM 15 NE1 TRP A 2 -10.038 4.694 1.972 1.00 0.00 N ATOM 16 CE2 TRP A 2 -9.741 4.848 0.629 1.00 0.00 C ATOM 17 CE3 TRP A 2 -10.261 3.841 -1.556 1.00 0.00 C ATOM 18 CZ2 TRP A 2 -8.856 5.761 0.005 1.00 0.00 C ATOM 19 CZ3 TRP A 2 -9.393 4.759 -2.149 1.00 0.00 C ATOM 20 CH2 TRP A 2 -8.700 5.704 -1.380 1.00 0.00 C ATOM 21 H TRP A 2 -12.929 -0.684 0.008 1.00 0.00 H ATOM 22 HA TRP A 2 -10.583 0.897 -0.952 1.00 0.00 H ATOM 23 1HB TRP A 2 -12.721 2.033 -0.377 1.00 0.00 H ATOM 24 2HB TRP A 2 -12.582 1.536 1.289 1.00 0.00 H ATOM 25 HD1 TRP A 2 -11.318 3.178 2.918 1.00 0.00 H ATOM 26 HE1 TRP A 2 -9.647 5.213 2.767 1.00 0.00 H ATOM 27 HE3 TRP A 2 -10.784 3.117 -2.163 1.00 0.00 H ATOM 28 HZ2 TRP A 2 -8.308 6.489 0.588 1.00 0.00 H ATOM 29 HZ3 TRP A 2 -9.254 4.745 -3.220 1.00 0.00 H ATOM 30 HH2 TRP A 2 -8.032 6.398 -1.867 1.00 0.00 H ATOM 31 N ILE A 3 -10.391 -0.506 2.106 1.00 0.00 N ATOM 32 CA ILE A 3 -9.395 -1.050 3.080 1.00 0.00 C ATOM 33 C ILE A 3 -8.463 -2.169 2.518 1.00 0.00 C ATOM 34 O ILE A 3 -7.281 -2.170 2.873 1.00 0.00 O ATOM 35 CB ILE A 3 -9.975 -1.379 4.501 1.00 0.00 C ATOM 36 CG1 ILE A 3 -10.827 -2.675 4.659 1.00 0.00 C ATOM 37 CG2 ILE A 3 -10.648 -0.163 5.183 1.00 0.00 C ATOM 38 CD1 ILE A 3 -12.129 -2.778 3.852 1.00 0.00 C ATOM 39 H ILE A 3 -11.393 -0.731 2.135 1.00 0.00 H ATOM 40 HA ILE A 3 -8.690 -0.214 3.251 1.00 0.00 H ATOM 41 HB ILE A 3 -9.082 -1.567 5.129 1.00 0.00 H ATOM 42 1HG1 ILE A 3 -10.200 -3.552 4.415 1.00 0.00 H ATOM 43 2HG1 ILE A 3 -11.071 -2.811 5.729 1.00 0.00 H ATOM 44 1HG2 ILE A 3 -11.600 0.121 4.698 1.00 0.00 H ATOM 45 2HG2 ILE A 3 -10.871 -0.361 6.248 1.00 0.00 H ATOM 46 3HG2 ILE A 3 -9.994 0.728 5.158 1.00 0.00 H ATOM 47 1HD1 ILE A 3 -11.930 -2.889 2.772 1.00 0.00 H ATOM 48 2HD1 ILE A 3 -12.720 -3.659 4.162 1.00 0.00 H ATOM 49 3HD1 ILE A 3 -12.773 -1.891 3.987 1.00 0.00 H ATOM 50 N GLN A 4 -8.937 -3.062 1.614 1.00 0.00 N ATOM 51 CA GLN A 4 -8.031 -3.914 0.791 1.00 0.00 C ATOM 52 C GLN A 4 -7.023 -3.127 -0.099 1.00 0.00 C ATOM 53 O GLN A 4 -5.855 -3.514 -0.125 1.00 0.00 O ATOM 54 CB GLN A 4 -8.812 -4.932 -0.088 1.00 0.00 C ATOM 55 CG GLN A 4 -9.314 -6.188 0.661 1.00 0.00 C ATOM 56 CD GLN A 4 -9.855 -7.322 -0.238 1.00 0.00 C ATOM 57 OE1 GLN A 4 -9.746 -7.317 -1.465 1.00 0.00 O ATOM 58 NE2 GLN A 4 -10.427 -8.349 0.370 1.00 0.00 N ATOM 59 H GLN A 4 -9.934 -2.960 1.390 1.00 0.00 H ATOM 60 HA GLN A 4 -7.411 -4.498 1.500 1.00 0.00 H ATOM 61 1HB GLN A 4 -9.653 -4.432 -0.608 1.00 0.00 H ATOM 62 2HB GLN A 4 -8.150 -5.288 -0.903 1.00 0.00 H ATOM 63 1HG GLN A 4 -8.481 -6.603 1.261 1.00 0.00 H ATOM 64 2HG GLN A 4 -10.087 -5.892 1.396 1.00 0.00 H ATOM 65 1HE2 GLN A 4 -10.729 -9.126 -0.230 1.00 0.00 H ATOM 66 2HE2 GLN A 4 -10.478 -8.310 1.394 1.00 0.00 H HETATM 67 N DIV A 5 -7.449 -2.055 -0.816 1.00 0.00 N HETATM 68 CA DIV A 5 -6.576 -1.194 -1.670 1.00 0.00 C HETATM 69 CB1 DIV A 5 -6.070 -2.068 -2.870 1.00 0.00 C HETATM 70 CG1 DIV A 5 -7.058 -2.577 -3.942 1.00 0.00 C HETATM 71 CB2 DIV A 5 -7.457 -0.033 -2.227 1.00 0.00 C HETATM 72 C DIV A 5 -5.386 -0.541 -0.849 1.00 0.00 C HETATM 73 O DIV A 5 -4.216 -0.695 -1.208 1.00 0.00 O HETATM 74 2HN DIV A 5 -8.416 -1.785 -0.664 1.00 0.00 H HETATM 75 1HB1 DIV A 5 -5.292 -1.485 -3.355 1.00 0.00 H HETATM 76 2HB1 DIV A 5 -5.525 -2.951 -2.496 1.00 0.00 H HETATM 77 1HG1 DIV A 5 -7.513 -1.749 -4.518 1.00 0.00 H HETATM 78 2HG1 DIV A 5 -6.547 -3.232 -4.672 1.00 0.00 H HETATM 79 3HG1 DIV A 5 -7.880 -3.167 -3.496 1.00 0.00 H HETATM 80 1HB2 DIV A 5 -7.870 0.613 -1.431 1.00 0.00 H HETATM 81 2HB2 DIV A 5 -6.882 0.632 -2.899 1.00 0.00 H HETATM 82 3HB2 DIV A 5 -8.328 -0.390 -2.806 1.00 0.00 H ATOM 83 N ILE A 6 -5.676 0.146 0.284 1.00 0.00 N ATOM 84 CA ILE A 6 -4.642 0.675 1.229 1.00 0.00 C ATOM 85 C ILE A 6 -3.777 -0.445 1.927 1.00 0.00 C ATOM 86 O ILE A 6 -2.622 -0.168 2.252 1.00 0.00 O ATOM 87 CB ILE A 6 -5.302 1.716 2.218 1.00 0.00 C ATOM 88 CG1 ILE A 6 -6.057 2.907 1.536 1.00 0.00 C ATOM 89 CG2 ILE A 6 -4.343 2.297 3.291 1.00 0.00 C ATOM 90 CD1 ILE A 6 -5.232 3.828 0.619 1.00 0.00 C ATOM 91 H ILE A 6 -6.676 0.204 0.498 1.00 0.00 H ATOM 92 HA ILE A 6 -3.924 1.249 0.614 1.00 0.00 H ATOM 93 HB ILE A 6 -6.071 1.164 2.790 1.00 0.00 H ATOM 94 1HG1 ILE A 6 -6.910 2.516 0.952 1.00 0.00 H ATOM 95 2HG1 ILE A 6 -6.536 3.534 2.312 1.00 0.00 H ATOM 96 1HG2 ILE A 6 -3.461 2.790 2.842 1.00 0.00 H ATOM 97 2HG2 ILE A 6 -4.841 3.046 3.936 1.00 0.00 H ATOM 98 3HG2 ILE A 6 -3.967 1.513 3.973 1.00 0.00 H ATOM 99 1HD1 ILE A 6 -4.785 3.277 -0.229 1.00 0.00 H ATOM 100 2HD1 ILE A 6 -5.863 4.627 0.188 1.00 0.00 H ATOM 101 3HD1 ILE A 6 -4.408 4.325 1.163 1.00 0.00 H ATOM 102 N THR A 7 -4.295 -1.680 2.121 1.00 0.00 N ATOM 103 CA THR A 7 -3.503 -2.855 2.591 1.00 0.00 C ATOM 104 C THR A 7 -2.507 -3.422 1.533 1.00 0.00 C ATOM 105 O THR A 7 -1.348 -3.613 1.896 1.00 0.00 O ATOM 106 CB THR A 7 -4.455 -3.923 3.214 1.00 0.00 C ATOM 107 OG1 THR A 7 -5.159 -3.346 4.310 1.00 0.00 O ATOM 108 CG2 THR A 7 -3.791 -5.203 3.754 1.00 0.00 C ATOM 109 H THR A 7 -5.274 -1.781 1.826 1.00 0.00 H ATOM 110 HA THR A 7 -2.862 -2.500 3.412 1.00 0.00 H ATOM 111 HB THR A 7 -5.194 -4.231 2.451 1.00 0.00 H ATOM 112 HG1 THR A 7 -5.545 -2.532 3.975 1.00 0.00 H ATOM 113 1HG2 THR A 7 -4.530 -5.848 4.267 1.00 0.00 H ATOM 114 2HG2 THR A 7 -3.349 -5.809 2.941 1.00 0.00 H ATOM 115 3HG2 THR A 7 -2.987 -4.984 4.482 1.00 0.00 H HETATM 116 N AIB A 8 -2.903 -3.683 0.264 1.00 0.00 N HETATM 117 CA AIB A 8 -1.951 -4.032 -0.856 1.00 0.00 C HETATM 118 C AIB A 8 -0.829 -2.946 -1.115 1.00 0.00 C HETATM 119 O1 AIB A 8 0.336 -3.263 -1.384 1.00 0.00 O HETATM 120 CB1 AIB A 8 -2.819 -4.132 -2.140 1.00 0.00 C HETATM 121 CB2 AIB A 8 -1.344 -5.449 -0.624 1.00 0.00 C HETATM 122 2HN AIB A 8 -3.819 -3.265 0.048 1.00 0.00 H HETATM 123 1HB1 AIB A 8 -3.292 -3.165 -2.399 1.00 0.00 H HETATM 124 2HB1 AIB A 8 -2.224 -4.429 -3.025 1.00 0.00 H HETATM 125 3HB1 AIB A 8 -3.639 -4.872 -2.048 1.00 0.00 H HETATM 126 1HB2 AIB A 8 -2.117 -6.228 -0.481 1.00 0.00 H HETATM 127 2HB2 AIB A 8 -0.717 -5.779 -1.475 1.00 0.00 H HETATM 128 3HB2 AIB A 8 -0.688 -5.481 0.266 1.00 0.00 H ATOM 129 N LEU A 9 -1.206 -1.656 -1.016 1.00 0.00 N ATOM 130 CA LEU A 9 -0.281 -0.498 -1.100 1.00 0.00 C ATOM 131 C LEU A 9 0.544 -0.182 0.196 1.00 0.00 C ATOM 132 O LEU A 9 1.525 0.556 0.072 1.00 0.00 O ATOM 133 CB LEU A 9 -1.118 0.718 -1.599 1.00 0.00 C ATOM 134 CG LEU A 9 -1.546 0.674 -3.100 1.00 0.00 C ATOM 135 CD1 LEU A 9 -2.754 1.584 -3.404 1.00 0.00 C ATOM 136 CD2 LEU A 9 -0.376 1.024 -4.039 1.00 0.00 C ATOM 137 H LEU A 9 -2.180 -1.534 -0.718 1.00 0.00 H ATOM 138 HA LEU A 9 0.468 -0.702 -1.882 1.00 0.00 H ATOM 139 1HB LEU A 9 -2.008 0.827 -0.952 1.00 0.00 H ATOM 140 2HB LEU A 9 -0.551 1.648 -1.427 1.00 0.00 H ATOM 141 HG LEU A 9 -1.875 -0.353 -3.346 1.00 0.00 H ATOM 142 1HD1 LEU A 9 -2.549 2.645 -3.169 1.00 0.00 H ATOM 143 2HD1 LEU A 9 -3.041 1.535 -4.473 1.00 0.00 H ATOM 144 3HD1 LEU A 9 -3.652 1.288 -2.831 1.00 0.00 H ATOM 145 1HD2 LEU A 9 0.491 0.357 -3.888 1.00 0.00 H ATOM 146 2HD2 LEU A 9 -0.657 0.935 -5.105 1.00 0.00 H ATOM 147 3HD2 LEU A 9 -0.019 2.058 -3.877 1.00 0.00 H HETATM 148 N AIB A 10 0.206 -0.726 1.399 1.00 0.00 N HETATM 149 CA AIB A 10 1.011 -0.604 2.661 1.00 0.00 C HETATM 150 C AIB A 10 2.491 -1.168 2.488 1.00 0.00 C HETATM 151 O1 AIB A 10 3.419 -0.391 2.728 1.00 0.00 O HETATM 152 CB1 AIB A 10 0.255 -1.358 3.794 1.00 0.00 C HETATM 153 CB2 AIB A 10 0.978 0.892 3.118 1.00 0.00 C HETATM 154 2HN AIB A 10 -0.580 -1.389 1.347 1.00 0.00 H HETATM 155 1HB1 AIB A 10 0.055 -2.417 3.564 1.00 0.00 H HETATM 156 2HB1 AIB A 10 0.814 -1.359 4.750 1.00 0.00 H HETATM 157 3HB1 AIB A 10 -0.735 -0.915 4.020 1.00 0.00 H HETATM 158 1HB2 AIB A 10 -0.054 1.285 3.203 1.00 0.00 H HETATM 159 2HB2 AIB A 10 1.459 1.048 4.103 1.00 0.00 H HETATM 160 3HB2 AIB A 10 1.506 1.556 2.410 1.00 0.00 H HETATM 161 N HYP A 11 2.809 -2.426 2.021 1.00 0.00 N HETATM 162 CA HYP A 11 4.178 -2.809 1.566 1.00 0.00 C HETATM 163 C HYP A 11 4.758 -2.121 0.283 1.00 0.00 C HETATM 164 O HYP A 11 5.956 -2.288 0.035 1.00 0.00 O HETATM 165 CB HYP A 11 4.076 -4.340 1.416 1.00 0.00 C HETATM 166 CG HYP A 11 2.607 -4.620 1.110 1.00 0.00 C HETATM 167 CD HYP A 11 1.861 -3.545 1.900 1.00 0.00 C HETATM 168 OD HYP A 11 2.222 -5.921 1.541 1.00 0.00 O HETATM 169 HA HYP A 11 4.890 -2.604 2.389 1.00 0.00 H HETATM 170 1HB HYP A 11 4.747 -4.758 0.645 1.00 0.00 H HETATM 171 2HB HYP A 11 4.360 -4.831 2.365 1.00 0.00 H HETATM 172 1HD HYP A 11 0.945 -3.260 1.361 1.00 0.00 H HETATM 173 2HD HYP A 11 1.583 -3.916 2.905 1.00 0.00 H HETATM 174 HOD HYP A 11 1.339 -5.831 1.906 1.00 0.00 H HETATM 175 HG HYP A 11 2.411 -4.501 0.026 1.00 0.00 H ATOM 176 N GLN A 12 3.977 -1.314 -0.471 1.00 0.00 N ATOM 177 CA GLN A 12 4.507 -0.410 -1.525 1.00 0.00 C ATOM 178 C GLN A 12 4.769 1.068 -1.086 1.00 0.00 C ATOM 179 O GLN A 12 5.002 1.899 -1.966 1.00 0.00 O ATOM 180 CB GLN A 12 3.583 -0.448 -2.775 1.00 0.00 C ATOM 181 CG GLN A 12 3.288 -1.844 -3.356 1.00 0.00 C ATOM 182 CD GLN A 12 2.576 -1.796 -4.720 1.00 0.00 C ATOM 183 OE1 GLN A 12 3.094 -1.252 -5.698 1.00 0.00 O ATOM 184 NE2 GLN A 12 1.385 -2.350 -4.832 1.00 0.00 N ATOM 185 H GLN A 12 3.032 -1.139 -0.123 1.00 0.00 H ATOM 186 HA GLN A 12 5.503 -0.778 -1.824 1.00 0.00 H ATOM 187 1HB GLN A 12 2.624 0.056 -2.550 1.00 0.00 H ATOM 188 2HB GLN A 12 4.050 0.169 -3.562 1.00 0.00 H ATOM 189 1HG GLN A 12 4.238 -2.406 -3.455 1.00 0.00 H ATOM 190 2HG GLN A 12 2.691 -2.397 -2.599 1.00 0.00 H ATOM 191 1HE2 GLN A 12 0.954 -2.284 -5.762 1.00 0.00 H ATOM 192 2HE2 GLN A 12 0.990 -2.778 -3.987 1.00 0.00 H HETATM 193 N AIB A 13 4.804 1.378 0.231 1.00 0.00 N HETATM 194 CA AIB A 13 5.606 2.475 0.859 1.00 0.00 C HETATM 195 C AIB A 13 7.113 1.951 1.039 1.00 0.00 C HETATM 196 O1 AIB A 13 8.012 2.502 0.384 1.00 0.00 O HETATM 197 CB1 AIB A 13 4.872 2.834 2.191 1.00 0.00 C HETATM 198 CB2 AIB A 13 5.546 3.811 0.065 1.00 0.00 C HETATM 199 2HN AIB A 13 4.501 0.590 0.816 1.00 0.00 H HETATM 200 1HB1 AIB A 13 4.479 1.962 2.742 1.00 0.00 H HETATM 201 2HB1 AIB A 13 5.523 3.390 2.890 1.00 0.00 H HETATM 202 3HB1 AIB A 13 3.970 3.459 2.037 1.00 0.00 H HETATM 203 1HB2 AIB A 13 4.504 4.094 -0.186 1.00 0.00 H HETATM 204 2HB2 AIB A 13 5.999 4.644 0.627 1.00 0.00 H HETATM 205 3HB2 AIB A 13 6.093 3.737 -0.888 1.00 0.00 H HETATM 206 N HYP A 14 7.480 0.880 1.829 1.00 0.00 N HETATM 207 CA HYP A 14 8.881 0.398 1.958 1.00 0.00 C HETATM 208 C HYP A 14 9.569 -0.226 0.709 1.00 0.00 C HETATM 209 O HYP A 14 10.775 -0.018 0.560 1.00 0.00 O HETATM 210 CB HYP A 14 8.836 -0.595 3.134 1.00 0.00 C HETATM 211 CG HYP A 14 7.374 -0.973 3.374 1.00 0.00 C HETATM 212 CD HYP A 14 6.545 0.048 2.598 1.00 0.00 C HETATM 213 OD HYP A 14 7.069 -0.932 4.763 1.00 0.00 O HETATM 214 HA HYP A 14 9.499 1.255 2.287 1.00 0.00 H HETATM 215 1HB HYP A 14 9.432 -1.505 2.939 1.00 0.00 H HETATM 216 2HB HYP A 14 9.270 -0.128 4.039 1.00 0.00 H HETATM 217 1HD HYP A 14 5.850 -0.461 1.923 1.00 0.00 H HETATM 218 2HD HYP A 14 5.937 0.643 3.280 1.00 0.00 H HETATM 219 HOD HYP A 14 7.257 -0.033 5.043 1.00 0.00 H HETATM 220 HG HYP A 14 7.173 -1.994 2.993 1.00 0.00 H HETATM 221 N AIB A 15 8.866 -1.004 -0.160 1.00 0.00 N HETATM 222 CA AIB A 15 9.461 -1.622 -1.393 1.00 0.00 C HETATM 223 C AIB A 15 10.085 -0.549 -2.388 1.00 0.00 C HETATM 224 O1 AIB A 15 11.252 -0.723 -2.761 1.00 0.00 O HETATM 225 CB1 AIB A 15 8.362 -2.453 -2.104 1.00 0.00 C HETATM 226 CB2 AIB A 15 10.523 -2.674 -0.944 1.00 0.00 C HETATM 227 2HN AIB A 15 7.844 -0.947 -0.066 1.00 0.00 H HETATM 228 1HB1 AIB A 15 7.473 -1.867 -2.376 1.00 0.00 H HETATM 229 2HB1 AIB A 15 8.737 -2.902 -3.044 1.00 0.00 H HETATM 230 3HB1 AIB A 15 7.986 -3.281 -1.473 1.00 0.00 H HETATM 231 1HB2 AIB A 15 10.125 -3.393 -0.203 1.00 0.00 H HETATM 232 2HB2 AIB A 15 10.914 -3.249 -1.804 1.00 0.00 H HETATM 233 3HB2 AIB A 15 11.404 -2.195 -0.474 1.00 0.00 H ATOM 234 N PRO A 16 9.443 0.591 -2.806 1.00 0.00 N ATOM 235 CA PRO A 16 10.163 1.744 -3.408 1.00 0.00 C ATOM 236 C PRO A 16 11.088 2.589 -2.485 1.00 0.00 C ATOM 237 O PRO A 16 12.023 3.207 -3.001 1.00 0.00 O ATOM 238 CB PRO A 16 9.039 2.574 -4.052 1.00 0.00 C ATOM 239 CG PRO A 16 7.767 2.233 -3.278 1.00 0.00 C ATOM 240 CD PRO A 16 8.020 0.894 -2.576 1.00 0.00 C ATOM 241 HA PRO A 16 10.818 1.364 -4.200 1.00 0.00 H ATOM 242 1HB PRO A 16 9.236 3.663 -4.054 1.00 0.00 H ATOM 243 2HB PRO A 16 8.919 2.286 -5.113 1.00 0.00 H ATOM 244 1HG PRO A 16 7.563 3.021 -2.528 1.00 0.00 H ATOM 245 2HG PRO A 16 6.884 2.193 -3.942 1.00 0.00 H ATOM 246 1HD PRO A 16 7.789 0.989 -1.506 1.00 0.00 H ATOM 247 2HD PRO A 16 7.363 0.097 -2.945 1.00 0.00 H HETATM 248 N PHL A 17 10.817 2.645 -1.166 1.00 0.00 N HETATM 249 CA PHL A 17 11.525 3.578 -0.250 1.00 0.00 C HETATM 250 C PHL A 17 12.096 2.789 0.949 1.00 0.00 C HETATM 251 O PHL A 17 12.893 3.621 1.780 1.00 0.00 O HETATM 252 CB PHL A 17 10.558 4.716 0.169 1.00 0.00 C HETATM 253 CG PHL A 17 10.059 5.628 -0.974 1.00 0.00 C HETATM 254 CD1 PHL A 17 10.966 6.416 -1.689 1.00 0.00 C HETATM 255 CD2 PHL A 17 8.711 5.615 -1.360 1.00 0.00 C HETATM 256 CE1 PHL A 17 10.538 7.178 -2.772 1.00 0.00 C HETATM 257 CE2 PHL A 17 8.282 6.383 -2.440 1.00 0.00 C HETATM 258 CZ PHL A 17 9.195 7.166 -3.145 1.00 0.00 C HETATM 259 H1 PHL A 17 12.725 1.946 0.600 1.00 0.00 H HETATM 260 H2 PHL A 17 11.287 2.352 1.557 1.00 0.00 H HETATM 261 HO PHL A 17 13.601 3.947 1.223 1.00 0.00 H HETATM 262 HA PHL A 17 12.395 4.049 -0.745 1.00 0.00 H HETATM 263 2HN PHL A 17 9.953 2.145 -0.900 1.00 0.00 H HETATM 264 1HB PHL A 17 9.705 4.263 0.712 1.00 0.00 H HETATM 265 2HB PHL A 17 11.065 5.354 0.918 1.00 0.00 H HETATM 266 HD1 PHL A 17 12.019 6.390 -1.442 1.00 0.00 H HETATM 267 HD2 PHL A 17 8.010 4.975 -0.853 1.00 0.00 H HETATM 268 HE1 PHL A 17 11.255 7.755 -3.338 1.00 0.00 H HETATM 269 HE2 PHL A 17 7.245 6.355 -2.741 1.00 0.00 H HETATM 270 HZ PHL A 17 8.863 7.754 -3.990 1.00 0.00 H TER 271 PHL A 17 ENDMDL MODEL 9 HETATM 1 C ACE A 1 -11.667 -1.775 -0.997 1.00 0.00 C HETATM 2 O ACE A 1 -10.609 -1.758 -1.633 1.00 0.00 O HETATM 3 CH3 ACE A 1 -12.562 -3.015 -1.008 1.00 0.00 C HETATM 4 1H ACE A 1 -13.630 -2.761 -1.143 1.00 0.00 H HETATM 5 2H ACE A 1 -12.288 -3.710 -1.823 1.00 0.00 H HETATM 6 3H ACE A 1 -12.470 -3.577 -0.060 1.00 0.00 H ATOM 7 N TRP A 2 -12.104 -0.755 -0.244 1.00 0.00 N ATOM 8 CA TRP A 2 -11.324 0.508 -0.030 1.00 0.00 C ATOM 9 C TRP A 2 -10.132 0.325 0.958 1.00 0.00 C ATOM 10 O TRP A 2 -9.032 0.814 0.691 1.00 0.00 O ATOM 11 CB TRP A 2 -12.160 1.741 0.435 1.00 0.00 C ATOM 12 CG TRP A 2 -13.595 1.876 -0.082 1.00 0.00 C ATOM 13 CD1 TRP A 2 -14.009 2.249 -1.376 1.00 0.00 C ATOM 14 CD2 TRP A 2 -14.754 1.610 0.622 1.00 0.00 C ATOM 15 NE1 TRP A 2 -15.413 2.227 -1.496 1.00 0.00 N ATOM 16 CE2 TRP A 2 -15.853 1.827 -0.243 1.00 0.00 C ATOM 17 CE3 TRP A 2 -14.963 1.185 1.960 1.00 0.00 C ATOM 18 CZ2 TRP A 2 -17.174 1.630 0.227 1.00 0.00 C ATOM 19 CZ3 TRP A 2 -16.272 1.000 2.402 1.00 0.00 C ATOM 20 CH2 TRP A 2 -17.362 1.219 1.549 1.00 0.00 C ATOM 21 H TRP A 2 -12.997 -0.931 0.226 1.00 0.00 H ATOM 22 HA TRP A 2 -10.894 0.792 -1.011 1.00 0.00 H ATOM 23 1HB TRP A 2 -12.202 1.774 1.542 1.00 0.00 H ATOM 24 2HB TRP A 2 -11.608 2.664 0.172 1.00 0.00 H ATOM 25 HD1 TRP A 2 -13.336 2.501 -2.183 1.00 0.00 H ATOM 26 HE1 TRP A 2 -15.980 2.434 -2.326 1.00 0.00 H ATOM 27 HE3 TRP A 2 -14.132 1.012 2.630 1.00 0.00 H ATOM 28 HZ2 TRP A 2 -18.019 1.799 -0.423 1.00 0.00 H ATOM 29 HZ3 TRP A 2 -16.445 0.685 3.421 1.00 0.00 H ATOM 30 HH2 TRP A 2 -18.364 1.074 1.921 1.00 0.00 H ATOM 31 N ILE A 3 -10.357 -0.375 2.092 1.00 0.00 N ATOM 32 CA ILE A 3 -9.265 -0.861 2.978 1.00 0.00 C ATOM 33 C ILE A 3 -8.419 -2.046 2.411 1.00 0.00 C ATOM 34 O ILE A 3 -7.250 -2.139 2.780 1.00 0.00 O ATOM 35 CB ILE A 3 -9.820 -1.080 4.431 1.00 0.00 C ATOM 36 CG1 ILE A 3 -8.694 -1.211 5.503 1.00 0.00 C ATOM 37 CG2 ILE A 3 -10.846 -2.238 4.564 1.00 0.00 C ATOM 38 CD1 ILE A 3 -8.974 -0.457 6.813 1.00 0.00 C ATOM 39 H ILE A 3 -11.320 -0.710 2.204 1.00 0.00 H ATOM 40 HA ILE A 3 -8.540 -0.025 3.027 1.00 0.00 H ATOM 41 HB ILE A 3 -10.379 -0.156 4.676 1.00 0.00 H ATOM 42 1HG1 ILE A 3 -8.477 -2.275 5.723 1.00 0.00 H ATOM 43 2HG1 ILE A 3 -7.737 -0.821 5.114 1.00 0.00 H ATOM 44 1HG2 ILE A 3 -10.405 -3.221 4.307 1.00 0.00 H ATOM 45 2HG2 ILE A 3 -11.237 -2.318 5.595 1.00 0.00 H ATOM 46 3HG2 ILE A 3 -11.722 -2.096 3.902 1.00 0.00 H ATOM 47 1HD1 ILE A 3 -9.932 -0.757 7.273 1.00 0.00 H ATOM 48 2HD1 ILE A 3 -8.175 -0.642 7.553 1.00 0.00 H ATOM 49 3HD1 ILE A 3 -9.013 0.635 6.642 1.00 0.00 H ATOM 50 N GLN A 4 -8.944 -2.898 1.502 1.00 0.00 N ATOM 51 CA GLN A 4 -8.096 -3.837 0.713 1.00 0.00 C ATOM 52 C GLN A 4 -7.090 -3.137 -0.248 1.00 0.00 C ATOM 53 O GLN A 4 -5.933 -3.558 -0.285 1.00 0.00 O ATOM 54 CB GLN A 4 -8.979 -4.885 -0.017 1.00 0.00 C ATOM 55 CG GLN A 4 -8.192 -6.122 -0.536 1.00 0.00 C ATOM 56 CD GLN A 4 -8.975 -7.440 -0.461 1.00 0.00 C ATOM 57 OE1 GLN A 4 -8.961 -8.128 0.560 1.00 0.00 O ATOM 58 NE2 GLN A 4 -9.673 -7.826 -1.518 1.00 0.00 N ATOM 59 H GLN A 4 -9.914 -2.697 1.243 1.00 0.00 H ATOM 60 HA GLN A 4 -7.496 -4.404 1.455 1.00 0.00 H ATOM 61 1HB GLN A 4 -9.758 -5.233 0.688 1.00 0.00 H ATOM 62 2HB GLN A 4 -9.537 -4.423 -0.854 1.00 0.00 H ATOM 63 1HG GLN A 4 -7.822 -5.936 -1.562 1.00 0.00 H ATOM 64 2HG GLN A 4 -7.268 -6.265 0.058 1.00 0.00 H ATOM 65 1HE2 GLN A 4 -10.178 -8.715 -1.428 1.00 0.00 H ATOM 66 2HE2 GLN A 4 -9.659 -7.203 -2.330 1.00 0.00 H HETATM 67 N DIV A 5 -7.509 -2.070 -0.975 1.00 0.00 N HETATM 68 CA DIV A 5 -6.625 -1.155 -1.748 1.00 0.00 C HETATM 69 CB1 DIV A 5 -6.057 -1.955 -2.969 1.00 0.00 C HETATM 70 CG1 DIV A 5 -6.965 -2.334 -4.156 1.00 0.00 C HETATM 71 CB2 DIV A 5 -7.519 0.012 -2.269 1.00 0.00 C HETATM 72 C DIV A 5 -5.485 -0.520 -0.849 1.00 0.00 C HETATM 73 O DIV A 5 -4.296 -0.630 -1.174 1.00 0.00 O HETATM 74 2HN DIV A 5 -8.473 -1.798 -0.810 1.00 0.00 H HETATM 75 1HB1 DIV A 5 -5.233 -1.360 -3.347 1.00 0.00 H HETATM 76 2HB1 DIV A 5 -5.555 -2.877 -2.630 1.00 0.00 H HETATM 77 1HG1 DIV A 5 -7.415 -1.447 -4.637 1.00 0.00 H HETATM 78 2HG1 DIV A 5 -6.380 -2.852 -4.939 1.00 0.00 H HETATM 79 3HG1 DIV A 5 -7.791 -3.001 -3.850 1.00 0.00 H HETATM 80 1HB2 DIV A 5 -7.929 0.632 -1.455 1.00 0.00 H HETATM 81 2HB2 DIV A 5 -6.953 0.700 -2.924 1.00 0.00 H HETATM 82 3HB2 DIV A 5 -8.398 -0.332 -2.845 1.00 0.00 H ATOM 83 N ILE A 6 -5.834 0.110 0.304 1.00 0.00 N ATOM 84 CA ILE A 6 -4.834 0.653 1.278 1.00 0.00 C ATOM 85 C ILE A 6 -3.891 -0.411 1.954 1.00 0.00 C ATOM 86 O ILE A 6 -2.789 -0.050 2.369 1.00 0.00 O ATOM 87 CB ILE A 6 -5.533 1.675 2.267 1.00 0.00 C ATOM 88 CG1 ILE A 6 -4.723 3.001 2.379 1.00 0.00 C ATOM 89 CG2 ILE A 6 -5.862 1.120 3.675 1.00 0.00 C ATOM 90 CD1 ILE A 6 -5.453 4.191 3.028 1.00 0.00 C ATOM 91 H ILE A 6 -6.840 0.109 0.503 1.00 0.00 H ATOM 92 HA ILE A 6 -4.147 1.248 0.643 1.00 0.00 H ATOM 93 HB ILE A 6 -6.520 1.953 1.841 1.00 0.00 H ATOM 94 1HG1 ILE A 6 -3.773 2.820 2.917 1.00 0.00 H ATOM 95 2HG1 ILE A 6 -4.421 3.334 1.369 1.00 0.00 H ATOM 96 1HG2 ILE A 6 -4.953 0.978 4.292 1.00 0.00 H ATOM 97 2HG2 ILE A 6 -6.538 1.792 4.235 1.00 0.00 H ATOM 98 3HG2 ILE A 6 -6.362 0.141 3.616 1.00 0.00 H ATOM 99 1HD1 ILE A 6 -5.662 4.018 4.099 1.00 0.00 H ATOM 100 2HD1 ILE A 6 -4.840 5.108 2.963 1.00 0.00 H ATOM 101 3HD1 ILE A 6 -6.416 4.406 2.528 1.00 0.00 H ATOM 102 N THR A 7 -4.324 -1.689 2.053 1.00 0.00 N ATOM 103 CA THR A 7 -3.492 -2.818 2.547 1.00 0.00 C ATOM 104 C THR A 7 -2.520 -3.386 1.475 1.00 0.00 C ATOM 105 O THR A 7 -1.363 -3.599 1.832 1.00 0.00 O ATOM 106 CB THR A 7 -4.411 -3.884 3.217 1.00 0.00 C ATOM 107 OG1 THR A 7 -5.101 -3.286 4.312 1.00 0.00 O ATOM 108 CG2 THR A 7 -3.703 -5.137 3.771 1.00 0.00 C ATOM 109 H THR A 7 -5.265 -1.848 1.677 1.00 0.00 H ATOM 110 HA THR A 7 -2.843 -2.422 3.344 1.00 0.00 H ATOM 111 HB THR A 7 -5.163 -4.225 2.481 1.00 0.00 H ATOM 112 HG1 THR A 7 -5.547 -2.517 3.947 1.00 0.00 H ATOM 113 1HG2 THR A 7 -4.424 -5.794 4.289 1.00 0.00 H ATOM 114 2HG2 THR A 7 -3.246 -5.738 2.962 1.00 0.00 H ATOM 115 3HG2 THR A 7 -2.905 -4.887 4.494 1.00 0.00 H HETATM 116 N AIB A 8 -2.929 -3.624 0.203 1.00 0.00 N HETATM 117 CA AIB A 8 -1.986 -3.953 -0.927 1.00 0.00 C HETATM 118 C AIB A 8 -0.860 -2.865 -1.168 1.00 0.00 C HETATM 119 O1 AIB A 8 0.306 -3.184 -1.436 1.00 0.00 O HETATM 120 CB1 AIB A 8 -2.861 -4.027 -2.206 1.00 0.00 C HETATM 121 CB2 AIB A 8 -1.384 -5.373 -0.713 1.00 0.00 C HETATM 122 2HN AIB A 8 -3.879 -3.274 0.020 1.00 0.00 H HETATM 123 1HB1 AIB A 8 -3.316 -3.050 -2.450 1.00 0.00 H HETATM 124 2HB1 AIB A 8 -2.267 -4.320 -3.092 1.00 0.00 H HETATM 125 3HB1 AIB A 8 -3.691 -4.755 -2.119 1.00 0.00 H HETATM 126 1HB2 AIB A 8 -2.159 -6.152 -0.574 1.00 0.00 H HETATM 127 2HB2 AIB A 8 -0.760 -5.690 -1.569 1.00 0.00 H HETATM 128 3HB2 AIB A 8 -0.728 -5.414 0.175 1.00 0.00 H ATOM 129 N LEU A 9 -1.232 -1.576 -1.065 1.00 0.00 N ATOM 130 CA LEU A 9 -0.304 -0.418 -1.137 1.00 0.00 C ATOM 131 C LEU A 9 0.501 -0.099 0.168 1.00 0.00 C ATOM 132 O LEU A 9 1.465 0.667 0.064 1.00 0.00 O ATOM 133 CB LEU A 9 -1.131 0.791 -1.662 1.00 0.00 C ATOM 134 CG LEU A 9 -1.480 0.741 -3.184 1.00 0.00 C ATOM 135 CD1 LEU A 9 -2.745 1.547 -3.532 1.00 0.00 C ATOM 136 CD2 LEU A 9 -0.292 1.213 -4.051 1.00 0.00 C ATOM 137 H LEU A 9 -2.213 -1.457 -0.791 1.00 0.00 H ATOM 138 HA LEU A 9 0.464 -0.623 -1.903 1.00 0.00 H ATOM 139 1HB LEU A 9 -2.051 0.892 -1.055 1.00 0.00 H ATOM 140 2HB LEU A 9 -0.582 1.727 -1.461 1.00 0.00 H ATOM 141 HG LEU A 9 -1.707 -0.303 -3.468 1.00 0.00 H ATOM 142 1HD1 LEU A 9 -2.652 2.616 -3.260 1.00 0.00 H ATOM 143 2HD1 LEU A 9 -2.969 1.498 -4.615 1.00 0.00 H ATOM 144 3HD1 LEU A 9 -3.637 1.149 -3.012 1.00 0.00 H ATOM 145 1HD2 LEU A 9 0.624 0.627 -3.855 1.00 0.00 H ATOM 146 2HD2 LEU A 9 -0.502 1.118 -5.134 1.00 0.00 H ATOM 147 3HD2 LEU A 9 -0.043 2.271 -3.854 1.00 0.00 H HETATM 148 N AIB A 10 0.162 -0.668 1.362 1.00 0.00 N HETATM 149 CA AIB A 10 0.974 -0.568 2.625 1.00 0.00 C HETATM 150 C AIB A 10 2.450 -1.142 2.439 1.00 0.00 C HETATM 151 O1 AIB A 10 3.384 -0.369 2.668 1.00 0.00 O HETATM 152 CB1 AIB A 10 0.214 -1.332 3.749 1.00 0.00 C HETATM 153 CB2 AIB A 10 0.957 0.923 3.100 1.00 0.00 C HETATM 154 2HN AIB A 10 -0.584 -1.375 1.285 1.00 0.00 H HETATM 155 1HB1 AIB A 10 0.013 -2.387 3.501 1.00 0.00 H HETATM 156 2HB1 AIB A 10 0.771 -1.338 4.706 1.00 0.00 H HETATM 157 3HB1 AIB A 10 -0.776 -0.884 3.968 1.00 0.00 H HETATM 158 1HB2 AIB A 10 -0.072 1.327 3.177 1.00 0.00 H HETATM 159 2HB2 AIB A 10 1.436 1.062 4.089 1.00 0.00 H HETATM 160 3HB2 AIB A 10 1.499 1.592 2.405 1.00 0.00 H HETATM 161 N HYP A 11 2.759 -2.399 1.964 1.00 0.00 N HETATM 162 CA HYP A 11 4.124 -2.792 1.504 1.00 0.00 C HETATM 163 C HYP A 11 4.716 -2.092 0.231 1.00 0.00 C HETATM 164 O HYP A 11 5.908 -2.279 -0.025 1.00 0.00 O HETATM 165 CB HYP A 11 3.999 -4.319 1.321 1.00 0.00 C HETATM 166 CG HYP A 11 2.531 -4.556 0.974 1.00 0.00 C HETATM 167 CD HYP A 11 1.795 -3.499 1.795 1.00 0.00 C HETATM 168 OD HYP A 11 2.114 -5.869 1.327 1.00 0.00 O HETATM 169 HA HYP A 11 4.837 -2.615 2.329 1.00 0.00 H HETATM 170 1HB HYP A 11 4.681 -4.734 0.556 1.00 0.00 H HETATM 171 2HB HYP A 11 4.250 -4.839 2.267 1.00 0.00 H HETATM 172 1HD HYP A 11 0.891 -3.185 1.258 1.00 0.00 H HETATM 173 2HD HYP A 11 1.513 -3.896 2.792 1.00 0.00 H HETATM 174 HOD HYP A 11 1.355 -5.763 1.908 1.00 0.00 H HETATM 175 HG HYP A 11 2.370 -4.387 -0.109 1.00 0.00 H ATOM 176 N GLN A 12 3.956 -1.252 -0.512 1.00 0.00 N ATOM 177 CA GLN A 12 4.516 -0.348 -1.552 1.00 0.00 C ATOM 178 C GLN A 12 4.807 1.112 -1.089 1.00 0.00 C ATOM 179 O GLN A 12 5.071 1.954 -1.951 1.00 0.00 O ATOM 180 CB GLN A 12 3.602 -0.347 -2.811 1.00 0.00 C ATOM 181 CG GLN A 12 3.279 -1.730 -3.412 1.00 0.00 C ATOM 182 CD GLN A 12 2.582 -1.647 -4.780 1.00 0.00 C ATOM 183 OE1 GLN A 12 3.123 -1.112 -5.753 1.00 0.00 O ATOM 184 NE2 GLN A 12 1.380 -2.183 -4.906 1.00 0.00 N ATOM 185 H GLN A 12 3.013 -1.065 -0.166 1.00 0.00 H ATOM 186 HA GLN A 12 5.506 -0.733 -1.845 1.00 0.00 H ATOM 187 1HB GLN A 12 2.655 0.179 -2.590 1.00 0.00 H ATOM 188 2HB GLN A 12 4.089 0.267 -3.588 1.00 0.00 H ATOM 189 1HG GLN A 12 4.212 -2.320 -3.496 1.00 0.00 H ATOM 190 2HG GLN A 12 2.656 -2.274 -2.663 1.00 0.00 H ATOM 191 1HE2 GLN A 12 0.959 -2.116 -5.838 1.00 0.00 H ATOM 192 2HE2 GLN A 12 0.984 -2.634 -4.071 1.00 0.00 H HETATM 193 N AIB A 13 4.830 1.411 0.236 1.00 0.00 N HETATM 194 CA AIB A 13 5.662 2.475 0.883 1.00 0.00 C HETATM 195 C AIB A 13 7.155 1.923 1.080 1.00 0.00 C HETATM 196 O1 AIB A 13 8.075 2.479 0.462 1.00 0.00 O HETATM 197 CB1 AIB A 13 4.919 2.830 2.213 1.00 0.00 C HETATM 198 CB2 AIB A 13 5.631 3.824 0.109 1.00 0.00 C HETATM 199 2HN AIB A 13 4.520 0.616 0.803 1.00 0.00 H HETATM 200 1HB1 AIB A 13 4.506 1.960 2.750 1.00 0.00 H HETATM 201 2HB1 AIB A 13 5.573 3.368 2.927 1.00 0.00 H HETATM 202 3HB1 AIB A 13 4.032 3.474 2.053 1.00 0.00 H HETATM 203 1HB2 AIB A 13 4.596 4.121 -0.157 1.00 0.00 H HETATM 204 2HB2 AIB A 13 6.084 4.646 0.683 1.00 0.00 H HETATM 205 3HB2 AIB A 13 6.196 3.760 -0.835 1.00 0.00 H HETATM 206 N HYP A 14 7.486 0.822 1.841 1.00 0.00 N HETATM 207 CA HYP A 14 8.869 0.298 1.973 1.00 0.00 C HETATM 208 C HYP A 14 9.548 -0.309 0.711 1.00 0.00 C HETATM 209 O HYP A 14 10.756 -0.101 0.575 1.00 0.00 O HETATM 210 CB HYP A 14 8.791 -0.729 3.123 1.00 0.00 C HETATM 211 CG HYP A 14 7.316 -1.060 3.351 1.00 0.00 C HETATM 212 CD HYP A 14 6.527 0.006 2.592 1.00 0.00 C HETATM 213 OD HYP A 14 7.001 -1.029 4.737 1.00 0.00 O HETATM 214 HA HYP A 14 9.511 1.133 2.323 1.00 0.00 H HETATM 215 1HB HYP A 14 9.358 -1.654 2.903 1.00 0.00 H HETATM 216 2HB HYP A 14 9.243 -0.302 4.041 1.00 0.00 H HETATM 217 1HD HYP A 14 5.817 -0.466 1.907 1.00 0.00 H HETATM 218 2HD HYP A 14 5.938 0.617 3.277 1.00 0.00 H HETATM 219 HOD HYP A 14 7.238 -0.149 5.041 1.00 0.00 H HETATM 220 HG HYP A 14 7.081 -2.063 2.952 1.00 0.00 H HETATM 221 N AIB A 15 8.845 -1.067 -0.175 1.00 0.00 N HETATM 222 CA AIB A 15 9.438 -1.675 -1.411 1.00 0.00 C HETATM 223 C AIB A 15 10.085 -0.601 -2.389 1.00 0.00 C HETATM 224 O1 AIB A 15 11.235 -0.810 -2.796 1.00 0.00 O HETATM 225 CB1 AIB A 15 8.328 -2.476 -2.141 1.00 0.00 C HETATM 226 CB2 AIB A 15 10.485 -2.747 -0.972 1.00 0.00 C HETATM 227 2HN AIB A 15 7.824 -0.978 -0.105 1.00 0.00 H HETATM 228 1HB1 AIB A 15 7.452 -1.864 -2.415 1.00 0.00 H HETATM 229 2HB1 AIB A 15 8.699 -2.930 -3.081 1.00 0.00 H HETATM 230 3HB1 AIB A 15 7.931 -3.303 -1.522 1.00 0.00 H HETATM 231 1HB2 AIB A 15 10.076 -3.467 -0.240 1.00 0.00 H HETATM 232 2HB2 AIB A 15 10.869 -3.325 -1.833 1.00 0.00 H HETATM 233 3HB2 AIB A 15 11.369 -2.280 -0.497 1.00 0.00 H ATOM 234 N PRO A 16 9.483 0.580 -2.755 1.00 0.00 N ATOM 235 CA PRO A 16 10.243 1.722 -3.320 1.00 0.00 C ATOM 236 C PRO A 16 11.201 2.489 -2.367 1.00 0.00 C ATOM 237 O PRO A 16 12.188 3.040 -2.861 1.00 0.00 O ATOM 238 CB PRO A 16 9.151 2.616 -3.934 1.00 0.00 C ATOM 239 CG PRO A 16 7.886 2.317 -3.135 1.00 0.00 C ATOM 240 CD PRO A 16 8.069 0.922 -2.524 1.00 0.00 C ATOM 241 HA PRO A 16 10.883 1.346 -4.119 1.00 0.00 H ATOM 242 1HB PRO A 16 9.400 3.694 -3.920 1.00 0.00 H ATOM 243 2HB PRO A 16 8.996 2.351 -4.997 1.00 0.00 H ATOM 244 1HG PRO A 16 7.777 3.065 -2.330 1.00 0.00 H ATOM 245 2HG PRO A 16 6.979 2.395 -3.763 1.00 0.00 H ATOM 246 1HD PRO A 16 7.829 0.954 -1.452 1.00 0.00 H ATOM 247 2HD PRO A 16 7.393 0.167 -2.951 1.00 0.00 H HETATM 248 N PHL A 17 10.910 2.554 -1.053 1.00 0.00 N HETATM 249 CA PHL A 17 11.627 3.475 -0.133 1.00 0.00 C HETATM 250 C PHL A 17 12.135 2.719 1.113 1.00 0.00 C HETATM 251 O PHL A 17 13.155 3.465 1.762 1.00 0.00 O HETATM 252 CB PHL A 17 10.685 4.647 0.258 1.00 0.00 C HETATM 253 CG PHL A 17 10.147 5.534 -0.892 1.00 0.00 C HETATM 254 CD1 PHL A 17 11.019 6.191 -1.766 1.00 0.00 C HETATM 255 CD2 PHL A 17 8.768 5.644 -1.090 1.00 0.00 C HETATM 256 CE1 PHL A 17 10.516 6.946 -2.825 1.00 0.00 C HETATM 257 CE2 PHL A 17 8.265 6.397 -2.149 1.00 0.00 C HETATM 258 CZ PHL A 17 9.140 7.052 -3.011 1.00 0.00 C HETATM 259 H1 PHL A 17 12.556 1.731 0.843 1.00 0.00 H HETATM 260 H2 PHL A 17 11.312 2.517 1.826 1.00 0.00 H HETATM 261 HO PHL A 17 12.826 4.364 1.829 1.00 0.00 H HETATM 262 HA PHL A 17 12.519 3.908 -0.627 1.00 0.00 H HETATM 263 2HN PHL A 17 10.027 2.086 -0.800 1.00 0.00 H HETATM 264 1HB PHL A 17 9.843 4.208 0.826 1.00 0.00 H HETATM 265 2HB PHL A 17 11.213 5.298 0.977 1.00 0.00 H HETATM 266 HD1 PHL A 17 12.088 6.092 -1.649 1.00 0.00 H HETATM 267 HD2 PHL A 17 8.079 5.134 -0.435 1.00 0.00 H HETATM 268 HE1 PHL A 17 11.193 7.441 -3.506 1.00 0.00 H HETATM 269 HE2 PHL A 17 7.197 6.466 -2.303 1.00 0.00 H HETATM 270 HZ PHL A 17 8.751 7.640 -3.829 1.00 0.00 H TER 271 PHL A 17 ENDMDL MODEL 10 HETATM 1 C ACE A 1 -11.601 -1.907 -1.287 1.00 0.00 C HETATM 2 O ACE A 1 -10.458 -1.860 -1.745 1.00 0.00 O HETATM 3 CH3 ACE A 1 -12.495 -3.105 -1.597 1.00 0.00 C HETATM 4 1H ACE A 1 -13.525 -2.804 -1.865 1.00 0.00 H HETATM 5 2H ACE A 1 -12.096 -3.689 -2.447 1.00 0.00 H HETATM 6 3H ACE A 1 -12.549 -3.791 -0.731 1.00 0.00 H ATOM 7 N TRP A 2 -12.126 -0.965 -0.482 1.00 0.00 N ATOM 8 CA TRP A 2 -11.358 0.232 -0.028 1.00 0.00 C ATOM 9 C TRP A 2 -10.239 -0.095 1.006 1.00 0.00 C ATOM 10 O TRP A 2 -9.080 0.238 0.752 1.00 0.00 O ATOM 11 CB TRP A 2 -12.300 1.355 0.499 1.00 0.00 C ATOM 12 CG TRP A 2 -12.987 2.215 -0.572 1.00 0.00 C ATOM 13 CD1 TRP A 2 -14.376 2.307 -0.802 1.00 0.00 C ATOM 14 CD2 TRP A 2 -12.411 3.169 -1.396 1.00 0.00 C ATOM 15 NE1 TRP A 2 -14.684 3.296 -1.756 1.00 0.00 N ATOM 16 CE2 TRP A 2 -13.451 3.826 -2.102 1.00 0.00 C ATOM 17 CE3 TRP A 2 -11.061 3.575 -1.566 1.00 0.00 C ATOM 18 CZ2 TRP A 2 -13.148 4.905 -2.970 1.00 0.00 C ATOM 19 CZ3 TRP A 2 -10.786 4.626 -2.441 1.00 0.00 C ATOM 20 CH2 TRP A 2 -11.814 5.284 -3.129 1.00 0.00 C ATOM 21 H TRP A 2 -13.083 -1.150 -0.166 1.00 0.00 H ATOM 22 HA TRP A 2 -10.837 0.645 -0.914 1.00 0.00 H ATOM 23 1HB TRP A 2 -13.049 0.927 1.193 1.00 0.00 H ATOM 24 2HB TRP A 2 -11.723 2.059 1.131 1.00 0.00 H ATOM 25 HD1 TRP A 2 -15.124 1.732 -0.274 1.00 0.00 H ATOM 26 HE1 TRP A 2 -15.611 3.602 -2.072 1.00 0.00 H ATOM 27 HE3 TRP A 2 -10.259 3.087 -1.030 1.00 0.00 H ATOM 28 HZ2 TRP A 2 -13.932 5.437 -3.490 1.00 0.00 H ATOM 29 HZ3 TRP A 2 -9.764 4.946 -2.582 1.00 0.00 H ATOM 30 HH2 TRP A 2 -11.570 6.105 -3.787 1.00 0.00 H ATOM 31 N ILE A 3 -10.554 -0.751 2.144 1.00 0.00 N ATOM 32 CA ILE A 3 -9.531 -1.152 3.161 1.00 0.00 C ATOM 33 C ILE A 3 -8.513 -2.218 2.618 1.00 0.00 C ATOM 34 O ILE A 3 -7.327 -2.099 2.931 1.00 0.00 O ATOM 35 CB ILE A 3 -10.144 -1.514 4.573 1.00 0.00 C ATOM 36 CG1 ILE A 3 -11.232 -0.540 5.143 1.00 0.00 C ATOM 37 CG2 ILE A 3 -9.046 -1.640 5.664 1.00 0.00 C ATOM 38 CD1 ILE A 3 -12.669 -0.789 4.657 1.00 0.00 C ATOM 39 H ILE A 3 -11.545 -0.998 2.242 1.00 0.00 H ATOM 40 HA ILE A 3 -8.909 -0.249 3.299 1.00 0.00 H ATOM 41 HB ILE A 3 -10.605 -2.516 4.493 1.00 0.00 H ATOM 42 1HG1 ILE A 3 -11.287 -0.616 6.246 1.00 0.00 H ATOM 43 2HG1 ILE A 3 -10.946 0.511 4.953 1.00 0.00 H ATOM 44 1HG2 ILE A 3 -8.506 -0.685 5.820 1.00 0.00 H ATOM 45 2HG2 ILE A 3 -9.468 -1.939 6.643 1.00 0.00 H ATOM 46 3HG2 ILE A 3 -8.291 -2.407 5.416 1.00 0.00 H ATOM 47 1HD1 ILE A 3 -12.976 -1.838 4.818 1.00 0.00 H ATOM 48 2HD1 ILE A 3 -13.386 -0.156 5.211 1.00 0.00 H ATOM 49 3HD1 ILE A 3 -12.803 -0.560 3.587 1.00 0.00 H ATOM 50 N GLN A 4 -8.933 -3.179 1.765 1.00 0.00 N ATOM 51 CA GLN A 4 -8.001 -4.013 0.956 1.00 0.00 C ATOM 52 C GLN A 4 -7.034 -3.215 0.025 1.00 0.00 C ATOM 53 O GLN A 4 -5.857 -3.568 -0.008 1.00 0.00 O ATOM 54 CB GLN A 4 -8.818 -5.074 0.165 1.00 0.00 C ATOM 55 CG GLN A 4 -7.964 -6.256 -0.356 1.00 0.00 C ATOM 56 CD GLN A 4 -8.776 -7.356 -1.058 1.00 0.00 C ATOM 57 OE1 GLN A 4 -9.391 -7.137 -2.101 1.00 0.00 O ATOM 58 NE2 GLN A 4 -8.783 -8.566 -0.518 1.00 0.00 N ATOM 59 H GLN A 4 -9.936 -3.145 1.555 1.00 0.00 H ATOM 60 HA GLN A 4 -7.365 -4.560 1.681 1.00 0.00 H ATOM 61 1HB GLN A 4 -9.612 -5.492 0.814 1.00 0.00 H ATOM 62 2HB GLN A 4 -9.354 -4.594 -0.676 1.00 0.00 H ATOM 63 1HG GLN A 4 -7.213 -5.880 -1.076 1.00 0.00 H ATOM 64 2HG GLN A 4 -7.371 -6.677 0.482 1.00 0.00 H ATOM 65 1HE2 GLN A 4 -9.320 -9.286 -1.015 1.00 0.00 H ATOM 66 2HE2 GLN A 4 -8.213 -8.699 0.324 1.00 0.00 H HETATM 67 N DIV A 5 -7.503 -2.174 -0.708 1.00 0.00 N HETATM 68 CA DIV A 5 -6.671 -1.303 -1.596 1.00 0.00 C HETATM 69 CB1 DIV A 5 -6.127 -2.187 -2.769 1.00 0.00 C HETATM 70 CG1 DIV A 5 -7.098 -2.801 -3.801 1.00 0.00 C HETATM 71 CB2 DIV A 5 -7.590 -0.198 -2.199 1.00 0.00 C HETATM 72 C DIV A 5 -5.502 -0.572 -0.809 1.00 0.00 C HETATM 73 O DIV A 5 -4.333 -0.668 -1.198 1.00 0.00 O HETATM 74 2HN DIV A 5 -8.484 -1.946 -0.561 1.00 0.00 H HETATM 75 1HB1 DIV A 5 -5.400 -1.579 -3.297 1.00 0.00 H HETATM 76 2HB1 DIV A 5 -5.518 -3.015 -2.368 1.00 0.00 H HETATM 77 1HG1 DIV A 5 -7.604 -2.025 -4.403 1.00 0.00 H HETATM 78 2HG1 DIV A 5 -6.556 -3.452 -4.509 1.00 0.00 H HETATM 79 3HG1 DIV A 5 -7.879 -3.414 -3.316 1.00 0.00 H HETATM 80 1HB2 DIV A 5 -8.039 0.459 -1.436 1.00 0.00 H HETATM 81 2HB2 DIV A 5 -7.032 0.466 -2.886 1.00 0.00 H HETATM 82 3HB2 DIV A 5 -8.437 -0.608 -2.778 1.00 0.00 H ATOM 83 N ILE A 6 -5.800 0.119 0.318 1.00 0.00 N ATOM 84 CA ILE A 6 -4.760 0.676 1.249 1.00 0.00 C ATOM 85 C ILE A 6 -3.851 -0.421 1.924 1.00 0.00 C ATOM 86 O ILE A 6 -2.690 -0.118 2.209 1.00 0.00 O ATOM 87 CB ILE A 6 -5.432 1.686 2.255 1.00 0.00 C ATOM 88 CG1 ILE A 6 -6.040 2.950 1.551 1.00 0.00 C ATOM 89 CG2 ILE A 6 -4.528 2.187 3.415 1.00 0.00 C ATOM 90 CD1 ILE A 6 -7.533 3.161 1.831 1.00 0.00 C ATOM 91 H ILE A 6 -6.796 0.116 0.568 1.00 0.00 H ATOM 92 HA ILE A 6 -4.069 1.279 0.626 1.00 0.00 H ATOM 93 HB ILE A 6 -6.244 1.124 2.757 1.00 0.00 H ATOM 94 1HG1 ILE A 6 -5.506 3.878 1.834 1.00 0.00 H ATOM 95 2HG1 ILE A 6 -5.898 2.907 0.454 1.00 0.00 H ATOM 96 1HG2 ILE A 6 -3.625 2.709 3.044 1.00 0.00 H ATOM 97 2HG2 ILE A 6 -5.064 2.896 4.074 1.00 0.00 H ATOM 98 3HG2 ILE A 6 -4.187 1.363 4.068 1.00 0.00 H ATOM 99 1HD1 ILE A 6 -7.764 3.113 2.911 1.00 0.00 H ATOM 100 2HD1 ILE A 6 -7.879 4.143 1.461 1.00 0.00 H ATOM 101 3HD1 ILE A 6 -8.144 2.396 1.327 1.00 0.00 H ATOM 102 N THR A 7 -4.335 -1.662 2.149 1.00 0.00 N ATOM 103 CA THR A 7 -3.504 -2.805 2.622 1.00 0.00 C ATOM 104 C THR A 7 -2.492 -3.342 1.561 1.00 0.00 C ATOM 105 O THR A 7 -1.334 -3.515 1.933 1.00 0.00 O ATOM 106 CB THR A 7 -4.410 -3.897 3.266 1.00 0.00 C ATOM 107 OG1 THR A 7 -5.133 -3.327 4.354 1.00 0.00 O ATOM 108 CG2 THR A 7 -3.678 -5.127 3.836 1.00 0.00 C ATOM 109 H THR A 7 -5.312 -1.795 1.869 1.00 0.00 H ATOM 110 HA THR A 7 -2.882 -2.413 3.440 1.00 0.00 H ATOM 111 HB THR A 7 -5.136 -4.254 2.512 1.00 0.00 H ATOM 112 HG1 THR A 7 -5.187 -2.386 4.163 1.00 0.00 H ATOM 113 1HG2 THR A 7 -4.385 -5.812 4.340 1.00 0.00 H ATOM 114 2HG2 THR A 7 -3.173 -5.712 3.045 1.00 0.00 H ATOM 115 3HG2 THR A 7 -2.911 -4.838 4.579 1.00 0.00 H HETATM 116 N AIB A 8 -2.876 -3.576 0.282 1.00 0.00 N HETATM 117 CA AIB A 8 -1.910 -3.843 -0.848 1.00 0.00 C HETATM 118 C AIB A 8 -0.813 -2.717 -1.048 1.00 0.00 C HETATM 119 O1 AIB A 8 0.363 -3.000 -1.304 1.00 0.00 O HETATM 120 CB1 AIB A 8 -2.759 -3.905 -2.145 1.00 0.00 C HETATM 121 CB2 AIB A 8 -1.258 -5.247 -0.673 1.00 0.00 C HETATM 122 2HN AIB A 8 -3.838 -3.262 0.097 1.00 0.00 H HETATM 123 1HB1 AIB A 8 -3.245 -2.936 -2.373 1.00 0.00 H HETATM 124 2HB1 AIB A 8 -2.144 -4.152 -3.031 1.00 0.00 H HETATM 125 3HB1 AIB A 8 -3.566 -4.662 -2.096 1.00 0.00 H HETATM 126 1HB2 AIB A 8 -2.006 -6.057 -0.572 1.00 0.00 H HETATM 127 2HB2 AIB A 8 -0.613 -5.511 -1.533 1.00 0.00 H HETATM 128 3HB2 AIB A 8 -0.609 -5.293 0.220 1.00 0.00 H ATOM 129 N LEU A 9 -1.219 -1.441 -0.917 1.00 0.00 N ATOM 130 CA LEU A 9 -0.312 -0.264 -0.956 1.00 0.00 C ATOM 131 C LEU A 9 0.561 -0.018 0.320 1.00 0.00 C ATOM 132 O LEU A 9 1.543 0.720 0.206 1.00 0.00 O ATOM 133 CB LEU A 9 -1.176 0.971 -1.341 1.00 0.00 C ATOM 134 CG LEU A 9 -1.646 1.030 -2.829 1.00 0.00 C ATOM 135 CD1 LEU A 9 -2.867 1.949 -3.021 1.00 0.00 C ATOM 136 CD2 LEU A 9 -0.508 1.471 -3.773 1.00 0.00 C ATOM 137 H LEU A 9 -2.203 -1.339 -0.647 1.00 0.00 H ATOM 138 HA LEU A 9 0.411 -0.405 -1.780 1.00 0.00 H ATOM 139 1HB LEU A 9 -2.049 1.018 -0.663 1.00 0.00 H ATOM 140 2HB LEU A 9 -0.614 1.897 -1.119 1.00 0.00 H ATOM 141 HG LEU A 9 -1.969 0.022 -3.142 1.00 0.00 H ATOM 142 1HD1 LEU A 9 -2.659 2.992 -2.715 1.00 0.00 H ATOM 143 2HD1 LEU A 9 -3.194 1.976 -4.079 1.00 0.00 H ATOM 144 3HD1 LEU A 9 -3.739 1.603 -2.434 1.00 0.00 H ATOM 145 1HD2 LEU A 9 0.372 0.806 -3.702 1.00 0.00 H ATOM 146 2HD2 LEU A 9 -0.825 1.462 -4.834 1.00 0.00 H ATOM 147 3HD2 LEU A 9 -0.158 2.495 -3.540 1.00 0.00 H HETATM 148 N AIB A 10 0.254 -0.622 1.504 1.00 0.00 N HETATM 149 CA AIB A 10 1.091 -0.562 2.750 1.00 0.00 C HETATM 150 C AIB A 10 2.553 -1.152 2.522 1.00 0.00 C HETATM 151 O1 AIB A 10 3.505 -0.405 2.766 1.00 0.00 O HETATM 152 CB1 AIB A 10 0.328 -1.338 3.865 1.00 0.00 C HETATM 153 CB2 AIB A 10 1.108 0.917 3.259 1.00 0.00 C HETATM 154 2HN AIB A 10 -0.520 -1.295 1.435 1.00 0.00 H HETATM 155 1HB1 AIB A 10 0.122 -2.389 3.607 1.00 0.00 H HETATM 156 2HB1 AIB A 10 0.882 -1.362 4.823 1.00 0.00 H HETATM 157 3HB1 AIB A 10 -0.662 -0.891 4.090 1.00 0.00 H HETATM 158 1HB2 AIB A 10 0.090 1.339 3.367 1.00 0.00 H HETATM 159 2HB2 AIB A 10 1.608 1.026 4.241 1.00 0.00 H HETATM 160 3HB2 AIB A 10 1.650 1.590 2.568 1.00 0.00 H HETATM 161 N HYP A 11 2.832 -2.396 1.997 1.00 0.00 N HETATM 162 CA HYP A 11 4.179 -2.788 1.486 1.00 0.00 C HETATM 163 C HYP A 11 4.728 -2.066 0.208 1.00 0.00 C HETATM 164 O HYP A 11 5.909 -2.269 -0.098 1.00 0.00 O HETATM 165 CB HYP A 11 4.044 -4.311 1.288 1.00 0.00 C HETATM 166 CG HYP A 11 2.558 -4.558 1.030 1.00 0.00 C HETATM 167 CD HYP A 11 1.860 -3.490 1.869 1.00 0.00 C HETATM 168 OD HYP A 11 2.156 -5.859 1.439 1.00 0.00 O HETATM 169 HA HYP A 11 4.920 -2.626 2.289 1.00 0.00 H HETATM 170 1HB HYP A 11 4.678 -4.713 0.474 1.00 0.00 H HETATM 171 2HB HYP A 11 4.359 -4.840 2.208 1.00 0.00 H HETATM 172 1HD HYP A 11 0.940 -3.172 1.363 1.00 0.00 H HETATM 173 2HD HYP A 11 1.603 -3.883 2.874 1.00 0.00 H HETATM 174 HOD HYP A 11 1.199 -5.827 1.516 1.00 0.00 H HETATM 175 HG HYP A 11 2.332 -4.414 -0.046 1.00 0.00 H ATOM 176 N GLN A 12 3.956 -1.191 -0.477 1.00 0.00 N ATOM 177 CA GLN A 12 4.496 -0.254 -1.502 1.00 0.00 C ATOM 178 C GLN A 12 4.820 1.186 -0.993 1.00 0.00 C ATOM 179 O GLN A 12 5.068 2.053 -1.832 1.00 0.00 O ATOM 180 CB GLN A 12 3.541 -0.187 -2.724 1.00 0.00 C ATOM 181 CG GLN A 12 3.186 -1.538 -3.375 1.00 0.00 C ATOM 182 CD GLN A 12 2.437 -1.380 -4.714 1.00 0.00 C ATOM 183 OE1 GLN A 12 2.942 -0.797 -5.670 1.00 0.00 O ATOM 184 NE2 GLN A 12 1.225 -1.898 -4.822 1.00 0.00 N ATOM 185 H GLN A 12 3.026 -1.005 -0.098 1.00 0.00 H ATOM 186 HA GLN A 12 5.469 -0.638 -1.843 1.00 0.00 H ATOM 187 1HB GLN A 12 2.608 0.337 -2.452 1.00 0.00 H ATOM 188 2HB GLN A 12 4.011 0.457 -3.489 1.00 0.00 H ATOM 189 1HG GLN A 12 4.111 -2.122 -3.535 1.00 0.00 H ATOM 190 2HG GLN A 12 2.593 -2.114 -2.632 1.00 0.00 H ATOM 191 1HE2 GLN A 12 0.781 -1.791 -5.736 1.00 0.00 H ATOM 192 2HE2 GLN A 12 0.853 -2.386 -3.996 1.00 0.00 H HETATM 193 N AIB A 13 4.887 1.436 0.338 1.00 0.00 N HETATM 194 CA AIB A 13 5.752 2.466 0.996 1.00 0.00 C HETATM 195 C AIB A 13 7.242 1.883 1.111 1.00 0.00 C HETATM 196 O1 AIB A 13 8.145 2.442 0.472 1.00 0.00 O HETATM 197 CB1 AIB A 13 5.064 2.782 2.364 1.00 0.00 C HETATM 198 CB2 AIB A 13 5.712 3.843 0.270 1.00 0.00 C HETATM 199 2HN AIB A 13 4.581 0.625 0.888 1.00 0.00 H HETATM 200 1HB1 AIB A 13 4.656 1.898 2.882 1.00 0.00 H HETATM 201 2HB1 AIB A 13 5.755 3.282 3.072 1.00 0.00 H HETATM 202 3HB1 AIB A 13 4.182 3.445 2.262 1.00 0.00 H HETATM 203 1HB2 AIB A 13 4.673 4.168 0.064 1.00 0.00 H HETATM 204 2HB2 AIB A 13 6.206 4.634 0.854 1.00 0.00 H HETATM 205 3HB2 AIB A 13 6.231 3.803 -0.700 1.00 0.00 H HETATM 206 N HYP A 14 7.585 0.755 1.823 1.00 0.00 N HETATM 207 CA HYP A 14 8.966 0.215 1.893 1.00 0.00 C HETATM 208 C HYP A 14 9.603 -0.364 0.592 1.00 0.00 C HETATM 209 O HYP A 14 10.811 -0.173 0.426 1.00 0.00 O HETATM 210 CB HYP A 14 8.917 -0.842 3.017 1.00 0.00 C HETATM 211 CG HYP A 14 7.449 -1.170 3.283 1.00 0.00 C HETATM 212 CD HYP A 14 6.645 -0.074 2.585 1.00 0.00 C HETATM 213 OD HYP A 14 7.181 -1.184 4.680 1.00 0.00 O HETATM 214 HA HYP A 14 9.627 1.032 2.246 1.00 0.00 H HETATM 215 1HB HYP A 14 9.471 -1.764 2.757 1.00 0.00 H HETATM 216 2HB HYP A 14 9.400 -0.441 3.930 1.00 0.00 H HETATM 217 1HD HYP A 14 5.905 -0.519 1.913 1.00 0.00 H HETATM 218 2HD HYP A 14 6.088 0.517 3.312 1.00 0.00 H HETATM 219 HOD HYP A 14 7.441 -0.318 5.004 1.00 0.00 H HETATM 220 HG HYP A 14 7.195 -2.158 2.861 1.00 0.00 H HETATM 221 N AIB A 15 8.856 -1.081 -0.292 1.00 0.00 N HETATM 222 CA AIB A 15 9.397 -1.652 -1.569 1.00 0.00 C HETATM 223 C AIB A 15 10.023 -0.553 -2.532 1.00 0.00 C HETATM 224 O1 AIB A 15 11.163 -0.755 -2.974 1.00 0.00 O HETATM 225 CB1 AIB A 15 8.252 -2.414 -2.284 1.00 0.00 C HETATM 226 CB2 AIB A 15 10.443 -2.752 -1.206 1.00 0.00 C HETATM 227 2HN AIB A 15 7.838 -0.990 -0.176 1.00 0.00 H HETATM 228 1HB1 AIB A 15 7.375 -1.785 -2.500 1.00 0.00 H HETATM 229 2HB1 AIB A 15 8.582 -2.831 -3.254 1.00 0.00 H HETATM 230 3HB1 AIB A 15 7.869 -3.259 -1.681 1.00 0.00 H HETATM 231 1HB2 AIB A 15 10.047 -3.492 -0.485 1.00 0.00 H HETATM 232 2HB2 AIB A 15 10.785 -3.301 -2.102 1.00 0.00 H HETATM 233 3HB2 AIB A 15 11.352 -2.318 -0.749 1.00 0.00 H ATOM 234 N PRO A 16 9.416 0.640 -2.851 1.00 0.00 N ATOM 235 CA PRO A 16 10.164 1.793 -3.413 1.00 0.00 C ATOM 236 C PRO A 16 11.147 2.544 -2.472 1.00 0.00 C ATOM 237 O PRO A 16 12.094 3.144 -2.986 1.00 0.00 O ATOM 238 CB PRO A 16 9.055 2.698 -3.978 1.00 0.00 C ATOM 239 CG PRO A 16 7.804 2.376 -3.166 1.00 0.00 C ATOM 240 CD PRO A 16 8.013 0.980 -2.566 1.00 0.00 C ATOM 241 HA PRO A 16 10.782 1.431 -4.238 1.00 0.00 H ATOM 242 1HB PRO A 16 9.303 3.776 -3.937 1.00 0.00 H ATOM 243 2HB PRO A 16 8.881 2.462 -5.044 1.00 0.00 H ATOM 244 1HG PRO A 16 7.685 3.119 -2.357 1.00 0.00 H ATOM 245 2HG PRO A 16 6.892 2.435 -3.787 1.00 0.00 H ATOM 246 1HD PRO A 16 7.813 1.006 -1.485 1.00 0.00 H ATOM 247 2HD PRO A 16 7.320 0.230 -2.973 1.00 0.00 H HETATM 248 N PHL A 17 10.916 2.546 -1.144 1.00 0.00 N HETATM 249 CA PHL A 17 11.671 3.428 -0.214 1.00 0.00 C HETATM 250 C PHL A 17 12.251 2.605 0.954 1.00 0.00 C HETATM 251 O PHL A 17 13.166 3.388 1.712 1.00 0.00 O HETATM 252 CB PHL A 17 10.752 4.582 0.267 1.00 0.00 C HETATM 253 CG PHL A 17 10.237 5.540 -0.833 1.00 0.00 C HETATM 254 CD1 PHL A 17 11.136 6.288 -1.599 1.00 0.00 C HETATM 255 CD2 PHL A 17 8.870 5.614 -1.113 1.00 0.00 C HETATM 256 CE1 PHL A 17 10.674 7.099 -2.635 1.00 0.00 C HETATM 257 CE2 PHL A 17 8.407 6.430 -2.145 1.00 0.00 C HETATM 258 CZ PHL A 17 9.309 7.174 -2.900 1.00 0.00 C HETATM 259 H1 PHL A 17 12.786 1.712 0.577 1.00 0.00 H HETATM 260 H2 PHL A 17 11.453 2.233 1.621 1.00 0.00 H HETATM 261 HO PHL A 17 13.838 3.683 1.091 1.00 0.00 H HETATM 262 HA PHL A 17 12.542 3.887 -0.721 1.00 0.00 H HETATM 263 2HN PHL A 17 10.037 2.074 -0.877 1.00 0.00 H HETATM 264 1HB PHL A 17 9.907 4.135 0.824 1.00 0.00 H HETATM 265 2HB PHL A 17 11.303 5.186 1.011 1.00 0.00 H HETATM 266 HD1 PHL A 17 12.198 6.205 -1.425 1.00 0.00 H HETATM 267 HD2 PHL A 17 8.166 5.017 -0.556 1.00 0.00 H HETATM 268 HE1 PHL A 17 11.376 7.656 -3.235 1.00 0.00 H HETATM 269 HE2 PHL A 17 7.351 6.475 -2.362 1.00 0.00 H HETATM 270 HZ PHL A 17 8.951 7.808 -3.697 1.00 0.00 H TER 271 PHL A 17 ENDMDL MODEL 11 HETATM 1 C ACE A 1 -11.679 -1.578 -1.144 1.00 0.00 C HETATM 2 O ACE A 1 -10.540 -1.601 -1.617 1.00 0.00 O HETATM 3 CH3 ACE A 1 -12.639 -2.740 -1.402 1.00 0.00 C HETATM 4 1H ACE A 1 -13.658 -2.392 -1.657 1.00 0.00 H HETATM 5 2H ACE A 1 -12.287 -3.361 -2.246 1.00 0.00 H HETATM 6 3H ACE A 1 -12.715 -3.402 -0.518 1.00 0.00 H ATOM 7 N TRP A 2 -12.142 -0.583 -0.369 1.00 0.00 N ATOM 8 CA TRP A 2 -11.318 0.603 0.025 1.00 0.00 C ATOM 9 C TRP A 2 -10.159 0.273 1.012 1.00 0.00 C ATOM 10 O TRP A 2 -9.003 0.603 0.727 1.00 0.00 O ATOM 11 CB TRP A 2 -12.237 1.735 0.580 1.00 0.00 C ATOM 12 CG TRP A 2 -12.801 2.711 -0.464 1.00 0.00 C ATOM 13 CD1 TRP A 2 -13.694 2.397 -1.512 1.00 0.00 C ATOM 14 CD2 TRP A 2 -12.613 4.083 -0.538 1.00 0.00 C ATOM 15 NE1 TRP A 2 -14.062 3.540 -2.246 1.00 0.00 N ATOM 16 CE2 TRP A 2 -13.391 4.576 -1.615 1.00 0.00 C ATOM 17 CE3 TRP A 2 -11.861 4.977 0.272 1.00 0.00 C ATOM 18 CZ2 TRP A 2 -13.439 5.968 -1.880 1.00 0.00 C ATOM 19 CZ3 TRP A 2 -11.920 6.342 -0.013 1.00 0.00 C ATOM 20 CH2 TRP A 2 -12.698 6.830 -1.068 1.00 0.00 C ATOM 21 H TRP A 2 -13.106 -0.708 -0.036 1.00 0.00 H ATOM 22 HA TRP A 2 -10.823 0.983 -0.892 1.00 0.00 H ATOM 23 1HB TRP A 2 -13.069 1.304 1.170 1.00 0.00 H ATOM 24 2HB TRP A 2 -11.683 2.330 1.331 1.00 0.00 H ATOM 25 HD1 TRP A 2 -14.066 1.405 -1.722 1.00 0.00 H ATOM 26 HE1 TRP A 2 -14.706 3.600 -3.042 1.00 0.00 H ATOM 27 HE3 TRP A 2 -11.264 4.621 1.099 1.00 0.00 H ATOM 28 HZ2 TRP A 2 -14.049 6.361 -2.680 1.00 0.00 H ATOM 29 HZ3 TRP A 2 -11.363 7.037 0.600 1.00 0.00 H ATOM 30 HH2 TRP A 2 -12.736 7.895 -1.253 1.00 0.00 H ATOM 31 N ILE A 3 -10.457 -0.387 2.152 1.00 0.00 N ATOM 32 CA ILE A 3 -9.415 -0.848 3.119 1.00 0.00 C ATOM 33 C ILE A 3 -8.462 -1.939 2.523 1.00 0.00 C ATOM 34 O ILE A 3 -7.256 -1.867 2.771 1.00 0.00 O ATOM 35 CB ILE A 3 -10.051 -1.250 4.507 1.00 0.00 C ATOM 36 CG1 ILE A 3 -10.965 -0.164 5.167 1.00 0.00 C ATOM 37 CG2 ILE A 3 -8.982 -1.666 5.555 1.00 0.00 C ATOM 38 CD1 ILE A 3 -12.056 -0.728 6.094 1.00 0.00 C ATOM 39 H ILE A 3 -11.452 -0.610 2.274 1.00 0.00 H ATOM 40 HA ILE A 3 -8.757 0.025 3.271 1.00 0.00 H ATOM 41 HB ILE A 3 -10.676 -2.144 4.313 1.00 0.00 H ATOM 42 1HG1 ILE A 3 -10.351 0.571 5.723 1.00 0.00 H ATOM 43 2HG1 ILE A 3 -11.485 0.442 4.403 1.00 0.00 H ATOM 44 1HG2 ILE A 3 -8.261 -0.848 5.746 1.00 0.00 H ATOM 45 2HG2 ILE A 3 -9.429 -1.941 6.528 1.00 0.00 H ATOM 46 3HG2 ILE A 3 -8.398 -2.547 5.228 1.00 0.00 H ATOM 47 1HD1 ILE A 3 -11.638 -1.334 6.920 1.00 0.00 H ATOM 48 2HD1 ILE A 3 -12.644 0.086 6.554 1.00 0.00 H ATOM 49 3HD1 ILE A 3 -12.765 -1.371 5.540 1.00 0.00 H ATOM 50 N GLN A 4 -8.976 -2.894 1.722 1.00 0.00 N ATOM 51 CA GLN A 4 -8.144 -3.850 0.942 1.00 0.00 C ATOM 52 C GLN A 4 -7.159 -3.215 -0.082 1.00 0.00 C ATOM 53 O GLN A 4 -6.031 -3.699 -0.189 1.00 0.00 O ATOM 54 CB GLN A 4 -9.078 -4.896 0.271 1.00 0.00 C ATOM 55 CG GLN A 4 -8.591 -6.360 0.417 1.00 0.00 C ATOM 56 CD GLN A 4 -9.683 -7.417 0.164 1.00 0.00 C ATOM 57 OE1 GLN A 4 -9.922 -7.838 -0.966 1.00 0.00 O ATOM 58 NE2 GLN A 4 -10.362 -7.872 1.210 1.00 0.00 N ATOM 59 H GLN A 4 -9.985 -2.809 1.558 1.00 0.00 H ATOM 60 HA GLN A 4 -7.513 -4.366 1.692 1.00 0.00 H ATOM 61 1HB GLN A 4 -10.098 -4.841 0.704 1.00 0.00 H ATOM 62 2HB GLN A 4 -9.244 -4.671 -0.800 1.00 0.00 H ATOM 63 1HG GLN A 4 -7.747 -6.542 -0.272 1.00 0.00 H ATOM 64 2HG GLN A 4 -8.165 -6.520 1.430 1.00 0.00 H ATOM 65 1HE2 GLN A 4 -11.072 -8.590 1.026 1.00 0.00 H ATOM 66 2HE2 GLN A 4 -10.119 -7.473 2.124 1.00 0.00 H HETATM 67 N DIV A 5 -7.572 -2.150 -0.811 1.00 0.00 N HETATM 68 CA DIV A 5 -6.707 -1.321 -1.702 1.00 0.00 C HETATM 69 CB1 DIV A 5 -6.203 -2.213 -2.882 1.00 0.00 C HETATM 70 CG1 DIV A 5 -7.179 -2.756 -3.945 1.00 0.00 C HETATM 71 CB2 DIV A 5 -7.581 -0.170 -2.293 1.00 0.00 C HETATM 72 C DIV A 5 -5.510 -0.634 -0.921 1.00 0.00 C HETATM 73 O DIV A 5 -4.349 -0.754 -1.324 1.00 0.00 O HETATM 74 2HN DIV A 5 -8.496 -1.806 -0.559 1.00 0.00 H HETATM 75 1HB1 DIV A 5 -5.456 -1.614 -3.386 1.00 0.00 H HETATM 76 2HB1 DIV A 5 -5.624 -3.071 -2.500 1.00 0.00 H HETATM 77 1HG1 DIV A 5 -7.656 -1.942 -4.519 1.00 0.00 H HETATM 78 2HG1 DIV A 5 -6.643 -3.386 -4.678 1.00 0.00 H HETATM 79 3HG1 DIV A 5 -7.982 -3.370 -3.498 1.00 0.00 H HETATM 80 1HB2 DIV A 5 -8.004 0.487 -1.515 1.00 0.00 H HETATM 81 2HB2 DIV A 5 -6.997 0.485 -2.970 1.00 0.00 H HETATM 82 3HB2 DIV A 5 -8.443 -0.539 -2.878 1.00 0.00 H ATOM 83 N ILE A 6 -5.776 0.058 0.215 1.00 0.00 N ATOM 84 CA ILE A 6 -4.703 0.612 1.110 1.00 0.00 C ATOM 85 C ILE A 6 -3.836 -0.500 1.819 1.00 0.00 C ATOM 86 O ILE A 6 -2.693 -0.213 2.184 1.00 0.00 O ATOM 87 CB ILE A 6 -5.321 1.672 2.098 1.00 0.00 C ATOM 88 CG1 ILE A 6 -6.059 2.860 1.392 1.00 0.00 C ATOM 89 CG2 ILE A 6 -4.311 2.298 3.101 1.00 0.00 C ATOM 90 CD1 ILE A 6 -7.316 3.325 2.144 1.00 0.00 C ATOM 91 H ILE A 6 -6.768 0.077 0.477 1.00 0.00 H ATOM 92 HA ILE A 6 -3.996 1.171 0.464 1.00 0.00 H ATOM 93 HB ILE A 6 -6.059 1.117 2.708 1.00 0.00 H ATOM 94 1HG1 ILE A 6 -5.381 3.723 1.235 1.00 0.00 H ATOM 95 2HG1 ILE A 6 -6.370 2.591 0.367 1.00 0.00 H ATOM 96 1HG2 ILE A 6 -3.459 2.784 2.589 1.00 0.00 H ATOM 97 2HG2 ILE A 6 -4.781 3.071 3.739 1.00 0.00 H ATOM 98 3HG2 ILE A 6 -3.890 1.550 3.796 1.00 0.00 H ATOM 99 1HD1 ILE A 6 -7.085 3.673 3.167 1.00 0.00 H ATOM 100 2HD1 ILE A 6 -7.815 4.159 1.617 1.00 0.00 H ATOM 101 3HD1 ILE A 6 -8.056 2.509 2.236 1.00 0.00 H ATOM 102 N THR A 7 -4.338 -1.745 1.983 1.00 0.00 N ATOM 103 CA THR A 7 -3.545 -2.916 2.453 1.00 0.00 C ATOM 104 C THR A 7 -2.549 -3.454 1.382 1.00 0.00 C ATOM 105 O THR A 7 -1.381 -3.619 1.728 1.00 0.00 O ATOM 106 CB THR A 7 -4.491 -3.995 3.063 1.00 0.00 C ATOM 107 OG1 THR A 7 -5.234 -3.427 4.137 1.00 0.00 O ATOM 108 CG2 THR A 7 -3.798 -5.252 3.624 1.00 0.00 C ATOM 109 H THR A 7 -5.283 -1.865 1.600 1.00 0.00 H ATOM 110 HA THR A 7 -2.914 -2.563 3.281 1.00 0.00 H ATOM 111 HB THR A 7 -5.205 -4.328 2.288 1.00 0.00 H ATOM 112 HG1 THR A 7 -5.615 -2.614 3.794 1.00 0.00 H ATOM 113 1HG2 THR A 7 -4.528 -5.928 4.108 1.00 0.00 H ATOM 114 2HG2 THR A 7 -3.304 -5.836 2.826 1.00 0.00 H ATOM 115 3HG2 THR A 7 -3.031 -5.001 4.379 1.00 0.00 H HETATM 116 N AIB A 8 -2.956 -3.693 0.111 1.00 0.00 N HETATM 117 CA AIB A 8 -2.005 -3.937 -1.038 1.00 0.00 C HETATM 118 C AIB A 8 -0.886 -2.830 -1.217 1.00 0.00 C HETATM 119 O1 AIB A 8 0.284 -3.128 -1.482 1.00 0.00 O HETATM 120 CB1 AIB A 8 -2.859 -3.950 -2.334 1.00 0.00 C HETATM 121 CB2 AIB A 8 -1.380 -5.356 -0.904 1.00 0.00 C HETATM 122 2HN AIB A 8 -3.940 -3.433 -0.041 1.00 0.00 H HETATM 123 1HB1 AIB A 8 -3.339 -2.971 -2.524 1.00 0.00 H HETATM 124 2HB1 AIB A 8 -2.248 -4.170 -3.232 1.00 0.00 H HETATM 125 3HB1 AIB A 8 -3.670 -4.705 -2.310 1.00 0.00 H HETATM 126 1HB2 AIB A 8 -2.142 -6.153 -0.819 1.00 0.00 H HETATM 127 2HB2 AIB A 8 -0.744 -5.613 -1.773 1.00 0.00 H HETATM 128 3HB2 AIB A 8 -0.728 -5.438 -0.014 1.00 0.00 H ATOM 129 N LEU A 9 -1.267 -1.547 -1.062 1.00 0.00 N ATOM 130 CA LEU A 9 -0.342 -0.385 -1.112 1.00 0.00 C ATOM 131 C LEU A 9 0.519 -0.128 0.171 1.00 0.00 C ATOM 132 O LEU A 9 1.502 0.610 0.058 1.00 0.00 O ATOM 133 CB LEU A 9 -1.181 0.854 -1.534 1.00 0.00 C ATOM 134 CG LEU A 9 -1.605 0.903 -3.034 1.00 0.00 C ATOM 135 CD1 LEU A 9 -2.838 1.800 -3.268 1.00 0.00 C ATOM 136 CD2 LEU A 9 -0.442 1.360 -3.936 1.00 0.00 C ATOM 137 H LEU A 9 -2.247 -1.428 -0.788 1.00 0.00 H ATOM 138 HA LEU A 9 0.389 -0.551 -1.923 1.00 0.00 H ATOM 139 1HB LEU A 9 -2.072 0.921 -0.880 1.00 0.00 H ATOM 140 2HB LEU A 9 -0.613 1.772 -1.305 1.00 0.00 H ATOM 141 HG LEU A 9 -1.901 -0.110 -3.356 1.00 0.00 H ATOM 142 1HD1 LEU A 9 -2.669 2.840 -2.933 1.00 0.00 H ATOM 143 2HD1 LEU A 9 -3.113 1.841 -4.340 1.00 0.00 H ATOM 144 3HD1 LEU A 9 -3.729 1.422 -2.733 1.00 0.00 H ATOM 145 1HD2 LEU A 9 0.443 0.706 -3.834 1.00 0.00 H ATOM 146 2HD2 LEU A 9 -0.720 1.350 -5.008 1.00 0.00 H ATOM 147 3HD2 LEU A 9 -0.114 2.387 -3.691 1.00 0.00 H HETATM 148 N AIB A 10 0.198 -0.713 1.357 1.00 0.00 N HETATM 149 CA AIB A 10 1.018 -0.628 2.614 1.00 0.00 C HETATM 150 C AIB A 10 2.492 -1.199 2.420 1.00 0.00 C HETATM 151 O1 AIB A 10 3.427 -0.437 2.680 1.00 0.00 O HETATM 152 CB1 AIB A 10 0.251 -1.407 3.722 1.00 0.00 C HETATM 153 CB2 AIB A 10 1.013 0.860 3.100 1.00 0.00 C HETATM 154 2HN AIB A 10 -0.581 -1.381 1.290 1.00 0.00 H HETATM 155 1HB1 AIB A 10 0.027 -2.453 3.449 1.00 0.00 H HETATM 156 2HB1 AIB A 10 0.814 -1.456 4.676 1.00 0.00 H HETATM 157 3HB1 AIB A 10 -0.730 -0.951 3.966 1.00 0.00 H HETATM 158 1HB2 AIB A 10 -0.009 1.278 3.180 1.00 0.00 H HETATM 159 2HB2 AIB A 10 1.493 0.986 4.091 1.00 0.00 H HETATM 160 3HB2 AIB A 10 1.566 1.523 2.409 1.00 0.00 H HETATM 161 N HYP A 11 2.799 -2.441 1.911 1.00 0.00 N HETATM 162 CA HYP A 11 4.160 -2.820 1.433 1.00 0.00 C HETATM 163 C HYP A 11 4.733 -2.088 0.170 1.00 0.00 C HETATM 164 O HYP A 11 5.920 -2.280 -0.115 1.00 0.00 O HETATM 165 CB HYP A 11 4.054 -4.345 1.237 1.00 0.00 C HETATM 166 CG HYP A 11 2.576 -4.621 0.967 1.00 0.00 C HETATM 167 CD HYP A 11 1.848 -3.556 1.789 1.00 0.00 C HETATM 168 OD HYP A 11 2.182 -5.922 1.386 1.00 0.00 O HETATM 169 HA HYP A 11 4.878 -2.645 2.254 1.00 0.00 H HETATM 170 1HB HYP A 11 4.699 -4.736 0.429 1.00 0.00 H HETATM 171 2HB HYP A 11 4.373 -4.867 2.157 1.00 0.00 H HETATM 172 1HD HYP A 11 0.923 -3.264 1.275 1.00 0.00 H HETATM 173 2HD HYP A 11 1.597 -3.942 2.798 1.00 0.00 H HETATM 174 HOD HYP A 11 1.223 -5.938 1.336 1.00 0.00 H HETATM 175 HG HYP A 11 2.355 -4.490 -0.112 1.00 0.00 H ATOM 176 N GLN A 12 3.967 -1.216 -0.521 1.00 0.00 N ATOM 177 CA GLN A 12 4.518 -0.271 -1.539 1.00 0.00 C ATOM 178 C GLN A 12 4.806 1.177 -1.026 1.00 0.00 C ATOM 179 O GLN A 12 5.043 2.049 -1.863 1.00 0.00 O ATOM 180 CB GLN A 12 3.588 -0.226 -2.783 1.00 0.00 C ATOM 181 CG GLN A 12 3.258 -1.584 -3.430 1.00 0.00 C ATOM 182 CD GLN A 12 2.533 -1.455 -4.782 1.00 0.00 C ATOM 183 OE1 GLN A 12 3.024 -0.839 -5.723 1.00 0.00 O ATOM 184 NE2 GLN A 12 1.353 -2.032 -4.915 1.00 0.00 N ATOM 185 H GLN A 12 3.031 -1.041 -0.159 1.00 0.00 H ATOM 186 HA GLN A 12 5.504 -0.643 -1.857 1.00 0.00 H ATOM 187 1HB GLN A 12 2.642 0.290 -2.533 1.00 0.00 H ATOM 188 2HB GLN A 12 4.067 0.415 -3.540 1.00 0.00 H ATOM 189 1HG GLN A 12 4.193 -2.156 -3.558 1.00 0.00 H ATOM 190 2HG GLN A 12 2.654 -2.163 -2.694 1.00 0.00 H ATOM 191 1HE2 GLN A 12 0.920 -1.950 -5.845 1.00 0.00 H ATOM 192 2HE2 GLN A 12 0.993 -2.545 -4.104 1.00 0.00 H HETATM 193 N AIB A 13 4.854 1.423 0.305 1.00 0.00 N HETATM 194 CA AIB A 13 5.690 2.469 0.978 1.00 0.00 C HETATM 195 C AIB A 13 7.179 1.895 1.129 1.00 0.00 C HETATM 196 O1 AIB A 13 8.098 2.457 0.511 1.00 0.00 O HETATM 197 CB1 AIB A 13 4.968 2.782 2.330 1.00 0.00 C HETATM 198 CB2 AIB A 13 5.658 3.843 0.244 1.00 0.00 C HETATM 199 2HN AIB A 13 4.558 0.603 0.847 1.00 0.00 H HETATM 200 1HB1 AIB A 13 4.539 1.896 2.833 1.00 0.00 H HETATM 201 2HB1 AIB A 13 5.639 3.273 3.059 1.00 0.00 H HETATM 202 3HB1 AIB A 13 4.092 3.451 2.208 1.00 0.00 H HETATM 203 1HB2 AIB A 13 4.622 4.155 0.010 1.00 0.00 H HETATM 204 2HB2 AIB A 13 6.123 4.646 0.839 1.00 0.00 H HETATM 205 3HB2 AIB A 13 6.207 3.805 -0.710 1.00 0.00 H HETATM 206 N HYP A 14 7.512 0.770 1.852 1.00 0.00 N HETATM 207 CA HYP A 14 8.896 0.239 1.958 1.00 0.00 C HETATM 208 C HYP A 14 9.568 -0.336 0.674 1.00 0.00 C HETATM 209 O HYP A 14 10.777 -0.134 0.533 1.00 0.00 O HETATM 210 CB HYP A 14 8.823 -0.816 3.082 1.00 0.00 C HETATM 211 CG HYP A 14 7.348 -1.147 3.315 1.00 0.00 C HETATM 212 CD HYP A 14 6.555 -0.058 2.597 1.00 0.00 C HETATM 213 OD HYP A 14 7.052 -1.158 4.707 1.00 0.00 O HETATM 214 HA HYP A 14 9.543 1.058 2.328 1.00 0.00 H HETATM 215 1HB HYP A 14 9.382 -1.738 2.833 1.00 0.00 H HETATM 216 2HB HYP A 14 9.284 -0.418 4.008 1.00 0.00 H HETATM 217 1HD HYP A 14 5.831 -0.507 1.908 1.00 0.00 H HETATM 218 2HD HYP A 14 5.985 0.538 3.310 1.00 0.00 H HETATM 219 HOD HYP A 14 7.302 -0.290 5.031 1.00 0.00 H HETATM 220 HG HYP A 14 7.104 -2.137 2.891 1.00 0.00 H HETATM 221 N AIB A 15 8.851 -1.065 -0.225 1.00 0.00 N HETATM 222 CA AIB A 15 9.426 -1.634 -1.488 1.00 0.00 C HETATM 223 C AIB A 15 10.055 -0.532 -2.447 1.00 0.00 C HETATM 224 O1 AIB A 15 11.203 -0.727 -2.869 1.00 0.00 O HETATM 225 CB1 AIB A 15 8.308 -2.416 -2.226 1.00 0.00 C HETATM 226 CB2 AIB A 15 10.479 -2.719 -1.097 1.00 0.00 C HETATM 227 2HN AIB A 15 7.831 -0.970 -0.141 1.00 0.00 H HETATM 228 1HB1 AIB A 15 7.427 -1.800 -2.467 1.00 0.00 H HETATM 229 2HB1 AIB A 15 8.666 -2.833 -3.186 1.00 0.00 H HETATM 230 3HB1 AIB A 15 7.923 -3.266 -1.631 1.00 0.00 H HETATM 231 1HB2 AIB A 15 10.085 -3.456 -0.372 1.00 0.00 H HETATM 232 2HB2 AIB A 15 10.843 -3.278 -1.978 1.00 0.00 H HETATM 233 3HB2 AIB A 15 11.375 -2.266 -0.630 1.00 0.00 H ATOM 234 N PRO A 16 9.444 0.654 -2.780 1.00 0.00 N ATOM 235 CA PRO A 16 10.192 1.815 -3.327 1.00 0.00 C ATOM 236 C PRO A 16 11.162 2.565 -2.371 1.00 0.00 C ATOM 237 O PRO A 16 12.125 3.156 -2.870 1.00 0.00 O ATOM 238 CB PRO A 16 9.088 2.723 -3.894 1.00 0.00 C ATOM 239 CG PRO A 16 7.837 2.395 -3.084 1.00 0.00 C ATOM 240 CD PRO A 16 8.035 0.985 -2.512 1.00 0.00 C ATOM 241 HA PRO A 16 10.817 1.459 -4.150 1.00 0.00 H ATOM 242 1HB PRO A 16 9.336 3.800 -3.844 1.00 0.00 H ATOM 243 2HB PRO A 16 8.916 2.500 -4.964 1.00 0.00 H ATOM 244 1HG PRO A 16 7.734 3.120 -2.258 1.00 0.00 H ATOM 245 2HG PRO A 16 6.923 2.480 -3.698 1.00 0.00 H ATOM 246 1HD PRO A 16 7.814 0.991 -1.435 1.00 0.00 H ATOM 247 2HD PRO A 16 7.353 0.242 -2.948 1.00 0.00 H HETATM 248 N PHL A 17 10.903 2.579 -1.049 1.00 0.00 N HETATM 249 CA PHL A 17 11.642 3.458 -0.105 1.00 0.00 C HETATM 250 C PHL A 17 12.180 2.625 1.079 1.00 0.00 C HETATM 251 O PHL A 17 13.052 3.388 1.904 1.00 0.00 O HETATM 252 CB PHL A 17 10.711 4.612 0.355 1.00 0.00 C HETATM 253 CG PHL A 17 10.176 5.553 -0.751 1.00 0.00 C HETATM 254 CD1 PHL A 17 11.055 6.248 -1.591 1.00 0.00 C HETATM 255 CD2 PHL A 17 8.797 5.669 -0.961 1.00 0.00 C HETATM 256 CE1 PHL A 17 10.561 7.040 -2.624 1.00 0.00 C HETATM 257 CE2 PHL A 17 8.305 6.464 -1.992 1.00 0.00 C HETATM 258 CZ PHL A 17 9.188 7.151 -2.821 1.00 0.00 C HETATM 259 H1 PHL A 17 12.733 1.737 0.721 1.00 0.00 H HETATM 260 H2 PHL A 17 11.348 2.252 1.703 1.00 0.00 H HETATM 261 HO PHL A 17 13.814 3.608 1.363 1.00 0.00 H HETATM 262 HA PHL A 17 12.528 3.914 -0.591 1.00 0.00 H HETATM 263 2HN PHL A 17 10.019 2.107 -0.799 1.00 0.00 H HETATM 264 1HB PHL A 17 9.868 4.157 0.913 1.00 0.00 H HETATM 265 2HB PHL A 17 11.247 5.230 1.097 1.00 0.00 H HETATM 266 HD1 PHL A 17 12.123 6.136 -1.471 1.00 0.00 H HETATM 267 HD2 PHL A 17 8.106 5.123 -0.341 1.00 0.00 H HETATM 268 HE1 PHL A 17 11.244 7.556 -3.283 1.00 0.00 H HETATM 269 HE2 PHL A 17 7.240 6.536 -2.155 1.00 0.00 H HETATM 270 HZ PHL A 17 8.805 7.771 -3.619 1.00 0.00 H TER 271 PHL A 17 ENDMDL MODEL 12 HETATM 1 C ACE A 1 -11.674 -1.589 -1.004 1.00 0.00 C HETATM 2 O ACE A 1 -10.602 -1.700 -1.602 1.00 0.00 O HETATM 3 CH3 ACE A 1 -12.670 -2.746 -0.995 1.00 0.00 C HETATM 4 1H ACE A 1 -13.714 -2.407 -1.127 1.00 0.00 H HETATM 5 2H ACE A 1 -12.450 -3.460 -1.808 1.00 0.00 H HETATM 6 3H ACE A 1 -12.620 -3.306 -0.044 1.00 0.00 H ATOM 7 N TRP A 2 -12.027 -0.497 -0.304 1.00 0.00 N ATOM 8 CA TRP A 2 -11.086 0.635 -0.040 1.00 0.00 C ATOM 9 C TRP A 2 -9.981 0.259 0.995 1.00 0.00 C ATOM 10 O TRP A 2 -8.805 0.508 0.726 1.00 0.00 O ATOM 11 CB TRP A 2 -11.877 1.921 0.345 1.00 0.00 C ATOM 12 CG TRP A 2 -11.167 3.294 0.243 1.00 0.00 C ATOM 13 CD1 TRP A 2 -9.819 3.626 0.542 1.00 0.00 C ATOM 14 CD2 TRP A 2 -11.761 4.508 -0.078 1.00 0.00 C ATOM 15 NE1 TRP A 2 -9.554 4.997 0.386 1.00 0.00 N ATOM 16 CE2 TRP A 2 -10.778 5.527 0.019 1.00 0.00 C ATOM 17 CE3 TRP A 2 -13.099 4.839 -0.418 1.00 0.00 C ATOM 18 CZ2 TRP A 2 -11.127 6.881 -0.206 1.00 0.00 C ATOM 19 CZ3 TRP A 2 -13.418 6.180 -0.645 1.00 0.00 C ATOM 20 CH2 TRP A 2 -12.448 7.183 -0.538 1.00 0.00 C ATOM 21 H TRP A 2 -12.939 -0.563 0.160 1.00 0.00 H ATOM 22 HA TRP A 2 -10.579 0.864 -0.998 1.00 0.00 H ATOM 23 1HB TRP A 2 -12.774 1.979 -0.301 1.00 0.00 H ATOM 24 2HB TRP A 2 -12.292 1.818 1.365 1.00 0.00 H ATOM 25 HD1 TRP A 2 -9.070 2.936 0.887 1.00 0.00 H ATOM 26 HE1 TRP A 2 -8.670 5.493 0.530 1.00 0.00 H ATOM 27 HE3 TRP A 2 -13.862 4.079 -0.494 1.00 0.00 H ATOM 28 HZ2 TRP A 2 -10.392 7.666 -0.111 1.00 0.00 H ATOM 29 HZ3 TRP A 2 -14.434 6.446 -0.900 1.00 0.00 H ATOM 30 HH2 TRP A 2 -12.727 8.212 -0.710 1.00 0.00 H ATOM 31 N ILE A 3 -10.326 -0.367 2.143 1.00 0.00 N ATOM 32 CA ILE A 3 -9.308 -0.950 3.069 1.00 0.00 C ATOM 33 C ILE A 3 -8.439 -2.113 2.483 1.00 0.00 C ATOM 34 O ILE A 3 -7.254 -2.181 2.811 1.00 0.00 O ATOM 35 CB ILE A 3 -9.922 -1.224 4.489 1.00 0.00 C ATOM 36 CG1 ILE A 3 -8.869 -1.390 5.626 1.00 0.00 C ATOM 37 CG2 ILE A 3 -10.919 -2.410 4.537 1.00 0.00 C ATOM 38 CD1 ILE A 3 -8.062 -0.124 5.954 1.00 0.00 C ATOM 39 H ILE A 3 -11.330 -0.555 2.245 1.00 0.00 H ATOM 40 HA ILE A 3 -8.576 -0.135 3.190 1.00 0.00 H ATOM 41 HB ILE A 3 -10.519 -0.333 4.767 1.00 0.00 H ATOM 42 1HG1 ILE A 3 -9.371 -1.700 6.561 1.00 0.00 H ATOM 43 2HG1 ILE A 3 -8.173 -2.214 5.392 1.00 0.00 H ATOM 44 1HG2 ILE A 3 -10.432 -3.381 4.336 1.00 0.00 H ATOM 45 2HG2 ILE A 3 -11.403 -2.493 5.528 1.00 0.00 H ATOM 46 3HG2 ILE A 3 -11.733 -2.295 3.800 1.00 0.00 H ATOM 47 1HD1 ILE A 3 -8.722 0.714 6.246 1.00 0.00 H ATOM 48 2HD1 ILE A 3 -7.370 -0.303 6.798 1.00 0.00 H ATOM 49 3HD1 ILE A 3 -7.446 0.216 5.102 1.00 0.00 H ATOM 50 N GLN A 4 -8.974 -2.967 1.583 1.00 0.00 N ATOM 51 CA GLN A 4 -8.148 -3.898 0.760 1.00 0.00 C ATOM 52 C GLN A 4 -7.138 -3.197 -0.197 1.00 0.00 C ATOM 53 O GLN A 4 -5.995 -3.652 -0.269 1.00 0.00 O ATOM 54 CB GLN A 4 -9.079 -4.878 -0.005 1.00 0.00 C ATOM 55 CG GLN A 4 -8.397 -6.202 -0.434 1.00 0.00 C ATOM 56 CD GLN A 4 -9.315 -7.215 -1.146 1.00 0.00 C ATOM 57 OE1 GLN A 4 -10.372 -6.894 -1.691 1.00 0.00 O ATOM 58 NE2 GLN A 4 -8.910 -8.476 -1.167 1.00 0.00 N ATOM 59 H GLN A 4 -9.971 -2.820 1.391 1.00 0.00 H ATOM 60 HA GLN A 4 -7.543 -4.493 1.473 1.00 0.00 H ATOM 61 1HB GLN A 4 -9.951 -5.143 0.624 1.00 0.00 H ATOM 62 2HB GLN A 4 -9.509 -4.375 -0.892 1.00 0.00 H ATOM 63 1HG GLN A 4 -7.537 -5.986 -1.096 1.00 0.00 H ATOM 64 2HG GLN A 4 -7.958 -6.675 0.469 1.00 0.00 H ATOM 65 1HE2 GLN A 4 -9.524 -9.153 -1.630 1.00 0.00 H ATOM 66 2HE2 GLN A 4 -8.015 -8.676 -0.708 1.00 0.00 H HETATM 67 N DIV A 5 -7.540 -2.117 -0.913 1.00 0.00 N HETATM 68 CA DIV A 5 -6.674 -1.294 -1.807 1.00 0.00 C HETATM 69 CB1 DIV A 5 -6.202 -2.191 -3.001 1.00 0.00 C HETATM 70 CG1 DIV A 5 -7.210 -2.713 -4.047 1.00 0.00 C HETATM 71 CB2 DIV A 5 -7.570 -0.145 -2.368 1.00 0.00 C HETATM 72 C DIV A 5 -5.458 -0.633 -1.029 1.00 0.00 C HETATM 73 O DIV A 5 -4.298 -0.795 -1.419 1.00 0.00 O HETATM 74 2HN DIV A 5 -8.480 -1.788 -0.709 1.00 0.00 H HETATM 75 1HB1 DIV A 5 -5.436 -1.615 -3.509 1.00 0.00 H HETATM 76 2HB1 DIV A 5 -5.646 -3.067 -2.627 1.00 0.00 H HETATM 77 1HG1 DIV A 5 -7.689 -1.892 -4.609 1.00 0.00 H HETATM 78 2HG1 DIV A 5 -6.705 -3.352 -4.793 1.00 0.00 H HETATM 79 3HG1 DIV A 5 -8.010 -3.318 -3.581 1.00 0.00 H HETATM 80 1HB2 DIV A 5 -7.940 0.537 -1.582 1.00 0.00 H HETATM 81 2HB2 DIV A 5 -7.027 0.483 -3.099 1.00 0.00 H HETATM 82 3HB2 DIV A 5 -8.473 -0.522 -2.885 1.00 0.00 H ATOM 83 N ILE A 6 -5.710 0.078 0.099 1.00 0.00 N ATOM 84 CA ILE A 6 -4.642 0.608 1.006 1.00 0.00 C ATOM 85 C ILE A 6 -3.802 -0.510 1.735 1.00 0.00 C ATOM 86 O ILE A 6 -2.645 -0.245 2.068 1.00 0.00 O ATOM 87 CB ILE A 6 -5.237 1.709 1.968 1.00 0.00 C ATOM 88 CG1 ILE A 6 -5.974 2.890 1.257 1.00 0.00 C ATOM 89 CG2 ILE A 6 -4.226 2.306 2.984 1.00 0.00 C ATOM 90 CD1 ILE A 6 -5.152 3.774 0.300 1.00 0.00 C ATOM 91 H ILE A 6 -6.704 0.164 0.334 1.00 0.00 H ATOM 92 HA ILE A 6 -3.913 1.134 0.358 1.00 0.00 H ATOM 93 HB ILE A 6 -6.006 1.207 2.586 1.00 0.00 H ATOM 94 1HG1 ILE A 6 -6.834 2.491 0.690 1.00 0.00 H ATOM 95 2HG1 ILE A 6 -6.437 3.547 2.018 1.00 0.00 H ATOM 96 1HG2 ILE A 6 -3.338 2.736 2.485 1.00 0.00 H ATOM 97 2HG2 ILE A 6 -4.676 3.108 3.600 1.00 0.00 H ATOM 98 3HG2 ILE A 6 -3.861 1.543 3.695 1.00 0.00 H ATOM 99 1HD1 ILE A 6 -4.726 3.194 -0.540 1.00 0.00 H ATOM 100 2HD1 ILE A 6 -5.782 4.568 -0.142 1.00 0.00 H ATOM 101 3HD1 ILE A 6 -4.315 4.279 0.816 1.00 0.00 H ATOM 102 N THR A 7 -4.335 -1.736 1.942 1.00 0.00 N ATOM 103 CA THR A 7 -3.548 -2.925 2.384 1.00 0.00 C ATOM 104 C THR A 7 -2.561 -3.467 1.305 1.00 0.00 C ATOM 105 O THR A 7 -1.394 -3.647 1.648 1.00 0.00 O ATOM 106 CB THR A 7 -4.495 -3.998 3.001 1.00 0.00 C ATOM 107 OG1 THR A 7 -5.148 -3.450 4.143 1.00 0.00 O ATOM 108 CG2 THR A 7 -3.837 -5.312 3.464 1.00 0.00 C ATOM 109 H THR A 7 -5.311 -1.826 1.633 1.00 0.00 H ATOM 110 HA THR A 7 -2.897 -2.589 3.205 1.00 0.00 H ATOM 111 HB THR A 7 -5.267 -4.264 2.255 1.00 0.00 H ATOM 112 HG1 THR A 7 -5.572 -2.642 3.844 1.00 0.00 H ATOM 113 1HG2 THR A 7 -4.575 -5.970 3.960 1.00 0.00 H ATOM 114 2HG2 THR A 7 -3.422 -5.880 2.612 1.00 0.00 H ATOM 115 3HG2 THR A 7 -3.014 -5.138 4.184 1.00 0.00 H HETATM 116 N AIB A 8 -2.972 -3.698 0.037 1.00 0.00 N HETATM 117 CA AIB A 8 -2.027 -3.996 -1.105 1.00 0.00 C HETATM 118 C AIB A 8 -0.882 -2.918 -1.314 1.00 0.00 C HETATM 119 O1 AIB A 8 0.278 -3.247 -1.586 1.00 0.00 O HETATM 120 CB1 AIB A 8 -2.889 -4.027 -2.395 1.00 0.00 C HETATM 121 CB2 AIB A 8 -1.438 -5.430 -0.938 1.00 0.00 C HETATM 122 2HN AIB A 8 -3.944 -3.401 -0.125 1.00 0.00 H HETATM 123 1HB1 AIB A 8 -3.355 -3.045 -2.604 1.00 0.00 H HETATM 124 2HB1 AIB A 8 -2.286 -4.278 -3.291 1.00 0.00 H HETATM 125 3HB1 AIB A 8 -3.711 -4.768 -2.348 1.00 0.00 H HETATM 126 1HB2 AIB A 8 -2.221 -6.207 -0.837 1.00 0.00 H HETATM 127 2HB2 AIB A 8 -0.807 -5.723 -1.798 1.00 0.00 H HETATM 128 3HB2 AIB A 8 -0.792 -5.510 -0.044 1.00 0.00 H ATOM 129 N LEU A 9 -1.234 -1.626 -1.171 1.00 0.00 N ATOM 130 CA LEU A 9 -0.288 -0.481 -1.237 1.00 0.00 C ATOM 131 C LEU A 9 0.533 -0.191 0.066 1.00 0.00 C ATOM 132 O LEU A 9 1.518 0.546 -0.035 1.00 0.00 O ATOM 133 CB LEU A 9 -1.099 0.751 -1.736 1.00 0.00 C ATOM 134 CG LEU A 9 -1.488 0.733 -3.248 1.00 0.00 C ATOM 135 CD1 LEU A 9 -2.729 1.594 -3.553 1.00 0.00 C ATOM 136 CD2 LEU A 9 -0.310 1.160 -4.147 1.00 0.00 C ATOM 137 H LEU A 9 -2.212 -1.489 -0.891 1.00 0.00 H ATOM 138 HA LEU A 9 0.470 -0.685 -2.014 1.00 0.00 H ATOM 139 1HB LEU A 9 -2.002 0.859 -1.107 1.00 0.00 H ATOM 140 2HB LEU A 9 -0.524 1.672 -1.534 1.00 0.00 H ATOM 141 HG LEU A 9 -1.765 -0.297 -3.535 1.00 0.00 H ATOM 142 1HD1 LEU A 9 -2.588 2.652 -3.264 1.00 0.00 H ATOM 143 2HD1 LEU A 9 -2.982 1.577 -4.630 1.00 0.00 H ATOM 144 3HD1 LEU A 9 -3.626 1.227 -3.021 1.00 0.00 H ATOM 145 1HD2 LEU A 9 0.582 0.529 -3.990 1.00 0.00 H ATOM 146 2HD2 LEU A 9 -0.561 1.086 -5.223 1.00 0.00 H ATOM 147 3HD2 LEU A 9 -0.005 2.204 -3.951 1.00 0.00 H HETATM 148 N AIB A 10 0.177 -0.753 1.255 1.00 0.00 N HETATM 149 CA AIB A 10 0.962 -0.653 2.533 1.00 0.00 C HETATM 150 C AIB A 10 2.442 -1.217 2.382 1.00 0.00 C HETATM 151 O1 AIB A 10 3.368 -0.446 2.655 1.00 0.00 O HETATM 152 CB1 AIB A 10 0.183 -1.424 3.640 1.00 0.00 C HETATM 153 CB2 AIB A 10 0.930 0.836 3.013 1.00 0.00 C HETATM 154 2HN AIB A 10 -0.614 -1.407 1.182 1.00 0.00 H HETATM 155 1HB1 AIB A 10 -0.024 -2.476 3.381 1.00 0.00 H HETATM 156 2HB1 AIB A 10 0.729 -1.449 4.605 1.00 0.00 H HETATM 157 3HB1 AIB A 10 -0.806 -0.976 3.861 1.00 0.00 H HETATM 158 1HB2 AIB A 10 -0.100 1.238 3.080 1.00 0.00 H HETATM 159 2HB2 AIB A 10 1.395 0.975 4.009 1.00 0.00 H HETATM 160 3HB2 AIB A 10 1.478 1.506 2.325 1.00 0.00 H HETATM 161 N HYP A 11 2.767 -2.464 1.896 1.00 0.00 N HETATM 162 CA HYP A 11 4.145 -2.841 1.465 1.00 0.00 C HETATM 163 C HYP A 11 4.755 -2.128 0.210 1.00 0.00 C HETATM 164 O HYP A 11 5.956 -2.301 -0.021 1.00 0.00 O HETATM 165 CB HYP A 11 4.043 -4.369 1.284 1.00 0.00 C HETATM 166 CG HYP A 11 2.581 -4.639 0.936 1.00 0.00 C HETATM 167 CD HYP A 11 1.817 -3.577 1.729 1.00 0.00 C HETATM 168 OD HYP A 11 2.185 -5.948 1.325 1.00 0.00 O HETATM 169 HA HYP A 11 4.838 -2.656 2.306 1.00 0.00 H HETATM 170 1HB HYP A 11 4.732 -4.776 0.523 1.00 0.00 H HETATM 171 2HB HYP A 11 4.302 -4.878 2.231 1.00 0.00 H HETATM 172 1HD HYP A 11 0.917 -3.281 1.174 1.00 0.00 H HETATM 173 2HD HYP A 11 1.516 -3.967 2.721 1.00 0.00 H HETATM 174 HOD HYP A 11 1.290 -5.868 1.663 1.00 0.00 H HETATM 175 HG HYP A 11 2.413 -4.496 -0.151 1.00 0.00 H ATOM 176 N GLN A 12 3.997 -1.293 -0.535 1.00 0.00 N ATOM 177 CA GLN A 12 4.559 -0.370 -1.558 1.00 0.00 C ATOM 178 C GLN A 12 4.813 1.096 -1.076 1.00 0.00 C ATOM 179 O GLN A 12 5.066 1.947 -1.930 1.00 0.00 O ATOM 180 CB GLN A 12 3.663 -0.376 -2.829 1.00 0.00 C ATOM 181 CG GLN A 12 3.376 -1.760 -3.444 1.00 0.00 C ATOM 182 CD GLN A 12 2.697 -1.679 -4.825 1.00 0.00 C ATOM 183 OE1 GLN A 12 3.238 -1.119 -5.775 1.00 0.00 O ATOM 184 NE2 GLN A 12 1.508 -2.234 -4.972 1.00 0.00 N ATOM 185 H GLN A 12 3.046 -1.122 -0.204 1.00 0.00 H ATOM 186 HA GLN A 12 5.560 -0.734 -1.839 1.00 0.00 H ATOM 187 1HB GLN A 12 2.701 0.128 -2.619 1.00 0.00 H ATOM 188 2HB GLN A 12 4.153 0.254 -3.590 1.00 0.00 H ATOM 189 1HG GLN A 12 4.325 -2.325 -3.528 1.00 0.00 H ATOM 190 2HG GLN A 12 2.758 -2.325 -2.712 1.00 0.00 H ATOM 191 1HE2 GLN A 12 1.103 -2.165 -5.915 1.00 0.00 H ATOM 192 2HE2 GLN A 12 1.107 -2.700 -4.152 1.00 0.00 H HETATM 193 N AIB A 13 4.814 1.378 0.250 1.00 0.00 N HETATM 194 CA AIB A 13 5.611 2.456 0.920 1.00 0.00 C HETATM 195 C AIB A 13 7.108 1.922 1.136 1.00 0.00 C HETATM 196 O1 AIB A 13 8.034 2.493 0.536 1.00 0.00 O HETATM 197 CB1 AIB A 13 4.842 2.792 2.240 1.00 0.00 C HETATM 198 CB2 AIB A 13 5.575 3.810 0.152 1.00 0.00 C HETATM 199 2HN AIB A 13 4.503 0.576 0.809 1.00 0.00 H HETATM 200 1HB1 AIB A 13 4.431 1.909 2.763 1.00 0.00 H HETATM 201 2HB1 AIB A 13 5.475 3.332 2.968 1.00 0.00 H HETATM 202 3HB1 AIB A 13 3.946 3.422 2.071 1.00 0.00 H HETATM 203 1HB2 AIB A 13 4.542 4.097 -0.124 1.00 0.00 H HETATM 204 2HB2 AIB A 13 6.011 4.631 0.742 1.00 0.00 H HETATM 205 3HB2 AIB A 13 6.155 3.756 -0.783 1.00 0.00 H HETATM 206 N HYP A 14 7.446 0.825 1.898 1.00 0.00 N HETATM 207 CA HYP A 14 8.836 0.326 2.056 1.00 0.00 C HETATM 208 C HYP A 14 9.554 -0.268 0.808 1.00 0.00 C HETATM 209 O HYP A 14 10.763 -0.044 0.697 1.00 0.00 O HETATM 210 CB HYP A 14 8.755 -0.702 3.203 1.00 0.00 C HETATM 211 CG HYP A 14 7.282 -1.064 3.400 1.00 0.00 C HETATM 212 CD HYP A 14 6.486 -0.015 2.626 1.00 0.00 C HETATM 213 OD HYP A 14 6.939 -1.045 4.781 1.00 0.00 O HETATM 214 HA HYP A 14 9.456 1.167 2.420 1.00 0.00 H HETATM 215 1HB HYP A 14 9.343 -1.615 2.992 1.00 0.00 H HETATM 216 2HB HYP A 14 9.179 -0.269 4.130 1.00 0.00 H HETATM 217 1HD HYP A 14 5.803 -0.500 1.922 1.00 0.00 H HETATM 218 2HD HYP A 14 5.871 0.576 3.304 1.00 0.00 H HETATM 219 HOD HYP A 14 7.136 -0.156 5.085 1.00 0.00 H HETATM 220 HG HYP A 14 7.077 -2.071 2.992 1.00 0.00 H HETATM 221 N AIB A 15 8.875 -1.030 -0.095 1.00 0.00 N HETATM 222 CA AIB A 15 9.501 -1.619 -1.326 1.00 0.00 C HETATM 223 C AIB A 15 10.148 -0.525 -2.282 1.00 0.00 C HETATM 224 O1 AIB A 15 11.317 -0.703 -2.651 1.00 0.00 O HETATM 225 CB1 AIB A 15 8.421 -2.433 -2.085 1.00 0.00 C HETATM 226 CB2 AIB A 15 10.553 -2.681 -0.874 1.00 0.00 C HETATM 227 2HN AIB A 15 7.850 -0.963 -0.041 1.00 0.00 H HETATM 228 1HB1 AIB A 15 7.539 -1.837 -2.363 1.00 0.00 H HETATM 229 2HB1 AIB A 15 8.817 -2.860 -3.026 1.00 0.00 H HETATM 230 3HB1 AIB A 15 8.031 -3.279 -1.488 1.00 0.00 H HETATM 231 1HB2 AIB A 15 10.133 -3.414 -0.160 1.00 0.00 H HETATM 232 2HB2 AIB A 15 10.964 -3.243 -1.732 1.00 0.00 H HETATM 233 3HB2 AIB A 15 11.419 -2.210 -0.371 1.00 0.00 H ATOM 234 N PRO A 16 9.526 0.639 -2.667 1.00 0.00 N ATOM 235 CA PRO A 16 10.270 1.801 -3.217 1.00 0.00 C ATOM 236 C PRO A 16 11.188 2.596 -2.247 1.00 0.00 C ATOM 237 O PRO A 16 12.150 3.203 -2.729 1.00 0.00 O ATOM 238 CB PRO A 16 9.170 2.669 -3.852 1.00 0.00 C ATOM 239 CG PRO A 16 7.896 2.339 -3.078 1.00 0.00 C ATOM 240 CD PRO A 16 8.102 0.950 -2.458 1.00 0.00 C ATOM 241 HA PRO A 16 10.935 1.439 -4.004 1.00 0.00 H ATOM 242 1HB PRO A 16 9.395 3.752 -3.826 1.00 0.00 H ATOM 243 2HB PRO A 16 9.044 2.409 -4.919 1.00 0.00 H ATOM 244 1HG PRO A 16 7.749 3.086 -2.278 1.00 0.00 H ATOM 245 2HG PRO A 16 7.003 2.389 -3.727 1.00 0.00 H ATOM 246 1HD PRO A 16 7.843 0.983 -1.390 1.00 0.00 H ATOM 247 2HD PRO A 16 7.448 0.183 -2.893 1.00 0.00 H HETATM 248 N PHL A 17 10.885 2.633 -0.934 1.00 0.00 N HETATM 249 CA PHL A 17 11.566 3.561 0.007 1.00 0.00 C HETATM 250 C PHL A 17 12.080 2.787 1.238 1.00 0.00 C HETATM 251 O PHL A 17 12.951 3.597 2.018 1.00 0.00 O HETATM 252 CB PHL A 17 10.596 4.706 0.394 1.00 0.00 C HETATM 253 CG PHL A 17 10.089 5.603 -0.758 1.00 0.00 C HETATM 254 CD1 PHL A 17 8.721 5.661 -1.045 1.00 0.00 C HETATM 255 CD2 PHL A 17 10.985 6.316 -1.565 1.00 0.00 C HETATM 256 CE1 PHL A 17 8.257 6.415 -2.118 1.00 0.00 C HETATM 257 CE2 PHL A 17 10.520 7.068 -2.640 1.00 0.00 C HETATM 258 CZ PHL A 17 9.155 7.121 -2.913 1.00 0.00 C HETATM 259 H1 PHL A 17 12.633 1.879 0.932 1.00 0.00 H HETATM 260 H2 PHL A 17 11.242 2.445 1.872 1.00 0.00 H HETATM 261 HO PHL A 17 13.669 3.853 1.434 1.00 0.00 H HETATM 262 HA PHL A 17 12.458 4.021 -0.462 1.00 0.00 H HETATM 263 2HN PHL A 17 10.007 2.141 -0.697 1.00 0.00 H HETATM 264 1HB PHL A 17 9.742 4.249 0.932 1.00 0.00 H HETATM 265 2HB PHL A 17 11.092 5.357 1.139 1.00 0.00 H HETATM 266 HD1 PHL A 17 8.017 5.102 -0.449 1.00 0.00 H HETATM 267 HD2 PHL A 17 12.049 6.254 -1.383 1.00 0.00 H HETATM 268 HE1 PHL A 17 7.199 6.444 -2.338 1.00 0.00 H HETATM 269 HE2 PHL A 17 11.217 7.602 -3.268 1.00 0.00 H HETATM 270 HZ PHL A 17 8.793 7.711 -3.741 1.00 0.00 H TER 271 PHL A 17 ENDMDL MODEL 13 HETATM 1 C ACE A 1 -11.554 -1.625 -1.000 1.00 0.00 C HETATM 2 O ACE A 1 -10.535 -1.408 -1.663 1.00 0.00 O HETATM 3 CH3 ACE A 1 -12.322 -2.932 -1.171 1.00 0.00 C HETATM 4 1H ACE A 1 -13.390 -2.756 -1.396 1.00 0.00 H HETATM 5 2H ACE A 1 -11.902 -3.531 -1.999 1.00 0.00 H HETATM 6 3H ACE A 1 -12.266 -3.551 -0.255 1.00 0.00 H ATOM 7 N TRP A 2 -12.046 -0.774 -0.087 1.00 0.00 N ATOM 8 CA TRP A 2 -11.362 0.505 0.274 1.00 0.00 C ATOM 9 C TRP A 2 -10.142 0.267 1.215 1.00 0.00 C ATOM 10 O TRP A 2 -9.028 0.673 0.870 1.00 0.00 O ATOM 11 CB TRP A 2 -12.334 1.555 0.887 1.00 0.00 C ATOM 12 CG TRP A 2 -13.514 2.011 0.014 1.00 0.00 C ATOM 13 CD1 TRP A 2 -14.842 1.544 0.136 1.00 0.00 C ATOM 14 CD2 TRP A 2 -13.554 2.987 -0.970 1.00 0.00 C ATOM 15 NE1 TRP A 2 -15.711 2.198 -0.755 1.00 0.00 N ATOM 16 CE2 TRP A 2 -14.895 3.093 -1.427 1.00 0.00 C ATOM 17 CE3 TRP A 2 -12.547 3.832 -1.506 1.00 0.00 C ATOM 18 CZ2 TRP A 2 -15.235 4.049 -2.413 1.00 0.00 C ATOM 19 CZ3 TRP A 2 -12.907 4.761 -2.484 1.00 0.00 C ATOM 20 CH2 TRP A 2 -14.232 4.869 -2.928 1.00 0.00 C ATOM 21 H TRP A 2 -12.908 -1.082 0.378 1.00 0.00 H ATOM 22 HA TRP A 2 -10.957 0.945 -0.659 1.00 0.00 H ATOM 23 1HB TRP A 2 -12.725 1.178 1.852 1.00 0.00 H ATOM 24 2HB TRP A 2 -11.755 2.457 1.165 1.00 0.00 H ATOM 25 HD1 TRP A 2 -15.165 0.795 0.844 1.00 0.00 H ATOM 26 HE1 TRP A 2 -16.725 2.080 -0.850 1.00 0.00 H ATOM 27 HE3 TRP A 2 -11.521 3.765 -1.169 1.00 0.00 H ATOM 28 HZ2 TRP A 2 -16.255 4.151 -2.756 1.00 0.00 H ATOM 29 HZ3 TRP A 2 -12.155 5.413 -2.905 1.00 0.00 H ATOM 30 HH2 TRP A 2 -14.483 5.607 -3.677 1.00 0.00 H ATOM 31 N ILE A 3 -10.333 -0.424 2.365 1.00 0.00 N ATOM 32 CA ILE A 3 -9.193 -0.950 3.175 1.00 0.00 C ATOM 33 C ILE A 3 -8.383 -2.117 2.525 1.00 0.00 C ATOM 34 O ILE A 3 -7.199 -2.242 2.840 1.00 0.00 O ATOM 35 CB ILE A 3 -9.558 -1.272 4.666 1.00 0.00 C ATOM 36 CG1 ILE A 3 -10.660 -2.363 4.843 1.00 0.00 C ATOM 37 CG2 ILE A 3 -9.874 0.009 5.475 1.00 0.00 C ATOM 38 CD1 ILE A 3 -10.681 -3.058 6.213 1.00 0.00 C ATOM 39 H ILE A 3 -11.293 -0.751 2.518 1.00 0.00 H ATOM 40 HA ILE A 3 -8.460 -0.124 3.204 1.00 0.00 H ATOM 41 HB ILE A 3 -8.633 -1.673 5.128 1.00 0.00 H ATOM 42 1HG1 ILE A 3 -11.658 -1.940 4.628 1.00 0.00 H ATOM 43 2HG1 ILE A 3 -10.523 -3.157 4.088 1.00 0.00 H ATOM 44 1HG2 ILE A 3 -10.803 0.502 5.133 1.00 0.00 H ATOM 45 2HG2 ILE A 3 -9.993 -0.202 6.554 1.00 0.00 H ATOM 46 3HG2 ILE A 3 -9.058 0.751 5.391 1.00 0.00 H ATOM 47 1HD1 ILE A 3 -10.835 -2.348 7.044 1.00 0.00 H ATOM 48 2HD1 ILE A 3 -11.495 -3.803 6.267 1.00 0.00 H ATOM 49 3HD1 ILE A 3 -9.737 -3.600 6.408 1.00 0.00 H ATOM 50 N GLN A 4 -8.958 -2.928 1.610 1.00 0.00 N ATOM 51 CA GLN A 4 -8.168 -3.856 0.757 1.00 0.00 C ATOM 52 C GLN A 4 -7.129 -3.141 -0.154 1.00 0.00 C ATOM 53 O GLN A 4 -5.972 -3.565 -0.157 1.00 0.00 O ATOM 54 CB GLN A 4 -9.131 -4.748 -0.072 1.00 0.00 C ATOM 55 CG GLN A 4 -8.521 -6.022 -0.705 1.00 0.00 C ATOM 56 CD GLN A 4 -8.312 -7.187 0.283 1.00 0.00 C ATOM 57 OE1 GLN A 4 -7.506 -7.107 1.211 1.00 0.00 O ATOM 58 NE2 GLN A 4 -9.017 -8.295 0.107 1.00 0.00 N ATOM 59 H GLN A 4 -9.947 -2.728 1.420 1.00 0.00 H ATOM 60 HA GLN A 4 -7.601 -4.510 1.447 1.00 0.00 H ATOM 61 1HB GLN A 4 -9.999 -5.052 0.545 1.00 0.00 H ATOM 62 2HB GLN A 4 -9.578 -4.138 -0.881 1.00 0.00 H ATOM 63 1HG GLN A 4 -9.179 -6.339 -1.538 1.00 0.00 H ATOM 64 2HG GLN A 4 -7.557 -5.789 -1.193 1.00 0.00 H ATOM 65 1HE2 GLN A 4 -8.844 -9.056 0.773 1.00 0.00 H ATOM 66 2HE2 GLN A 4 -9.653 -8.319 -0.698 1.00 0.00 H HETATM 67 N DIV A 5 -7.521 -2.065 -0.889 1.00 0.00 N HETATM 68 CA DIV A 5 -6.615 -1.203 -1.696 1.00 0.00 C HETATM 69 CB1 DIV A 5 -6.020 -2.067 -2.859 1.00 0.00 C HETATM 70 CG1 DIV A 5 -6.927 -2.602 -3.981 1.00 0.00 C HETATM 71 CB2 DIV A 5 -7.495 -0.066 -2.285 1.00 0.00 C HETATM 72 C DIV A 5 -5.491 -0.517 -0.818 1.00 0.00 C HETATM 73 O DIV A 5 -4.307 -0.552 -1.177 1.00 0.00 O HETATM 74 2HN DIV A 5 -8.460 -1.717 -0.711 1.00 0.00 H HETATM 75 1HB1 DIV A 5 -5.233 -1.467 -3.302 1.00 0.00 H HETATM 76 2HB1 DIV A 5 -5.478 -2.934 -2.449 1.00 0.00 H HETATM 77 1HG1 DIV A 5 -7.387 -1.780 -4.558 1.00 0.00 H HETATM 78 2HG1 DIV A 5 -6.351 -3.216 -4.696 1.00 0.00 H HETATM 79 3HG1 DIV A 5 -7.737 -3.238 -3.583 1.00 0.00 H HETATM 80 1HB2 DIV A 5 -7.969 0.554 -1.501 1.00 0.00 H HETATM 81 2HB2 DIV A 5 -6.905 0.623 -2.919 1.00 0.00 H HETATM 82 3HB2 DIV A 5 -8.324 -0.444 -2.915 1.00 0.00 H ATOM 83 N ILE A 6 -5.838 0.075 0.353 1.00 0.00 N ATOM 84 CA ILE A 6 -4.825 0.586 1.329 1.00 0.00 C ATOM 85 C ILE A 6 -3.880 -0.505 1.947 1.00 0.00 C ATOM 86 O ILE A 6 -2.757 -0.171 2.324 1.00 0.00 O ATOM 87 CB ILE A 6 -5.488 1.576 2.365 1.00 0.00 C ATOM 88 CG1 ILE A 6 -4.702 2.919 2.471 1.00 0.00 C ATOM 89 CG2 ILE A 6 -5.751 1.005 3.784 1.00 0.00 C ATOM 90 CD1 ILE A 6 -5.073 3.942 1.385 1.00 0.00 C ATOM 91 H ILE A 6 -6.834 -0.008 0.602 1.00 0.00 H ATOM 92 HA ILE A 6 -4.142 1.194 0.703 1.00 0.00 H ATOM 93 HB ILE A 6 -6.497 1.853 2.000 1.00 0.00 H ATOM 94 1HG1 ILE A 6 -4.867 3.405 3.451 1.00 0.00 H ATOM 95 2HG1 ILE A 6 -3.613 2.726 2.432 1.00 0.00 H ATOM 96 1HG2 ILE A 6 -4.814 0.828 4.344 1.00 0.00 H ATOM 97 2HG2 ILE A 6 -6.370 1.686 4.397 1.00 0.00 H ATOM 98 3HG2 ILE A 6 -6.285 0.040 3.751 1.00 0.00 H ATOM 99 1HD1 ILE A 6 -6.129 4.262 1.466 1.00 0.00 H ATOM 100 2HD1 ILE A 6 -4.458 4.855 1.470 1.00 0.00 H ATOM 101 3HD1 ILE A 6 -4.929 3.541 0.365 1.00 0.00 H ATOM 102 N THR A 7 -4.337 -1.772 2.049 1.00 0.00 N ATOM 103 CA THR A 7 -3.526 -2.922 2.523 1.00 0.00 C ATOM 104 C THR A 7 -2.531 -3.454 1.462 1.00 0.00 C ATOM 105 O THR A 7 -1.364 -3.598 1.816 1.00 0.00 O ATOM 106 CB THR A 7 -4.433 -4.014 3.167 1.00 0.00 C ATOM 107 OG1 THR A 7 -5.111 -3.466 4.294 1.00 0.00 O ATOM 108 CG2 THR A 7 -3.703 -5.269 3.679 1.00 0.00 C ATOM 109 H THR A 7 -5.286 -1.899 1.682 1.00 0.00 H ATOM 110 HA THR A 7 -2.886 -2.532 3.324 1.00 0.00 H ATOM 111 HB THR A 7 -5.194 -4.346 2.437 1.00 0.00 H ATOM 112 HG1 THR A 7 -5.551 -2.675 3.975 1.00 0.00 H ATOM 113 1HG2 THR A 7 -4.387 -5.939 4.231 1.00 0.00 H ATOM 114 2HG2 THR A 7 -3.274 -5.863 2.850 1.00 0.00 H ATOM 115 3HG2 THR A 7 -2.874 -5.005 4.362 1.00 0.00 H HETATM 116 N AIB A 8 -2.936 -3.731 0.198 1.00 0.00 N HETATM 117 CA AIB A 8 -1.975 -4.055 -0.921 1.00 0.00 C HETATM 118 C AIB A 8 -0.873 -2.949 -1.177 1.00 0.00 C HETATM 119 O1 AIB A 8 0.293 -3.260 -1.454 1.00 0.00 O HETATM 120 CB1 AIB A 8 -2.820 -4.183 -2.214 1.00 0.00 C HETATM 121 CB2 AIB A 8 -1.341 -5.455 -0.665 1.00 0.00 C HETATM 122 2HN AIB A 8 -3.922 -3.489 0.023 1.00 0.00 H HETATM 123 1HB1 AIB A 8 -3.317 -3.231 -2.476 1.00 0.00 H HETATM 124 2HB1 AIB A 8 -2.203 -4.464 -3.090 1.00 0.00 H HETATM 125 3HB1 AIB A 8 -3.615 -4.949 -2.128 1.00 0.00 H HETATM 126 1HB2 AIB A 8 -2.102 -6.245 -0.522 1.00 0.00 H HETATM 127 2HB2 AIB A 8 -0.690 -5.785 -1.497 1.00 0.00 H HETATM 128 3HB2 AIB A 8 -0.701 -5.469 0.237 1.00 0.00 H ATOM 129 N LEU A 9 -1.248 -1.658 -1.074 1.00 0.00 N ATOM 130 CA LEU A 9 -0.306 -0.511 -1.196 1.00 0.00 C ATOM 131 C LEU A 9 0.479 -0.119 0.096 1.00 0.00 C ATOM 132 O LEU A 9 1.438 0.650 -0.032 1.00 0.00 O ATOM 133 CB LEU A 9 -1.106 0.676 -1.802 1.00 0.00 C ATOM 134 CG LEU A 9 -1.392 0.554 -3.329 1.00 0.00 C ATOM 135 CD1 LEU A 9 -2.674 1.296 -3.751 1.00 0.00 C ATOM 136 CD2 LEU A 9 -0.179 1.002 -4.176 1.00 0.00 C ATOM 137 H LEU A 9 -2.233 -1.503 -0.809 1.00 0.00 H ATOM 138 HA LEU A 9 0.481 -0.759 -1.930 1.00 0.00 H ATOM 139 1HB LEU A 9 -2.050 0.803 -1.233 1.00 0.00 H ATOM 140 2HB LEU A 9 -0.552 1.613 -1.618 1.00 0.00 H ATOM 141 HG LEU A 9 -1.582 -0.511 -3.563 1.00 0.00 H ATOM 142 1HD1 LEU A 9 -2.629 2.378 -3.537 1.00 0.00 H ATOM 143 2HD1 LEU A 9 -2.872 1.175 -4.832 1.00 0.00 H ATOM 144 3HD1 LEU A 9 -3.565 0.891 -3.233 1.00 0.00 H ATOM 145 1HD2 LEU A 9 0.734 0.436 -3.911 1.00 0.00 H ATOM 146 2HD2 LEU A 9 -0.342 0.845 -5.258 1.00 0.00 H ATOM 147 3HD2 LEU A 9 0.052 2.074 -4.028 1.00 0.00 H HETATM 148 N AIB A 10 0.135 -0.643 1.304 1.00 0.00 N HETATM 149 CA AIB A 10 0.926 -0.478 2.568 1.00 0.00 C HETATM 150 C AIB A 10 2.406 -1.038 2.416 1.00 0.00 C HETATM 151 O1 AIB A 10 3.329 -0.250 2.632 1.00 0.00 O HETATM 152 CB1 AIB A 10 0.174 -1.226 3.705 1.00 0.00 C HETATM 153 CB2 AIB A 10 0.880 1.025 2.991 1.00 0.00 C HETATM 154 2HN AIB A 10 -0.572 -1.389 1.235 1.00 0.00 H HETATM 155 1HB1 AIB A 10 -0.036 -2.283 3.471 1.00 0.00 H HETATM 156 2HB1 AIB A 10 0.743 -1.228 4.654 1.00 0.00 H HETATM 157 3HB1 AIB A 10 -0.807 -0.775 3.943 1.00 0.00 H HETATM 158 1HB2 AIB A 10 -0.153 1.421 3.047 1.00 0.00 H HETATM 159 2HB2 AIB A 10 1.344 1.207 3.978 1.00 0.00 H HETATM 160 3HB2 AIB A 10 1.424 1.671 2.280 1.00 0.00 H HETATM 161 N HYP A 11 2.729 -2.312 1.995 1.00 0.00 N HETATM 162 CA HYP A 11 4.104 -2.721 1.592 1.00 0.00 C HETATM 163 C HYP A 11 4.724 -2.065 0.310 1.00 0.00 C HETATM 164 O HYP A 11 5.923 -2.264 0.092 1.00 0.00 O HETATM 165 CB HYP A 11 3.988 -4.253 1.447 1.00 0.00 C HETATM 166 CG HYP A 11 2.536 -4.488 1.045 1.00 0.00 C HETATM 167 CD HYP A 11 1.779 -3.419 1.827 1.00 0.00 C HETATM 168 OD HYP A 11 2.072 -5.783 1.410 1.00 0.00 O HETATM 169 HA HYP A 11 4.785 -2.511 2.436 1.00 0.00 H HETATM 170 1HB HYP A 11 4.700 -4.682 0.722 1.00 0.00 H HETATM 171 2HB HYP A 11 4.192 -4.749 2.414 1.00 0.00 H HETATM 172 1HD HYP A 11 0.877 -3.122 1.273 1.00 0.00 H HETATM 173 2HD HYP A 11 1.480 -3.803 2.823 1.00 0.00 H HETATM 174 HOD HYP A 11 1.774 -5.701 2.321 1.00 0.00 H HETATM 175 HG HYP A 11 2.423 -4.336 -0.047 1.00 0.00 H ATOM 176 N GLN A 12 3.973 -1.263 -0.479 1.00 0.00 N ATOM 177 CA GLN A 12 4.546 -0.398 -1.549 1.00 0.00 C ATOM 178 C GLN A 12 4.822 1.087 -1.150 1.00 0.00 C ATOM 179 O GLN A 12 5.116 1.884 -2.042 1.00 0.00 O ATOM 180 CB GLN A 12 3.650 -0.462 -2.820 1.00 0.00 C ATOM 181 CG GLN A 12 3.365 -1.876 -3.366 1.00 0.00 C ATOM 182 CD GLN A 12 2.658 -1.891 -4.734 1.00 0.00 C ATOM 183 OE1 GLN A 12 3.164 -1.379 -5.737 1.00 0.00 O ATOM 184 NE2 GLN A 12 1.482 -2.480 -4.821 1.00 0.00 N ATOM 185 H GLN A 12 3.021 -1.065 -0.158 1.00 0.00 H ATOM 186 HA GLN A 12 5.545 -0.784 -1.808 1.00 0.00 H ATOM 187 1HB GLN A 12 2.685 0.041 -2.626 1.00 0.00 H ATOM 188 2HB GLN A 12 4.128 0.140 -3.617 1.00 0.00 H ATOM 189 1HG GLN A 12 4.317 -2.439 -3.438 1.00 0.00 H ATOM 190 2HG GLN A 12 2.766 -2.404 -2.593 1.00 0.00 H ATOM 191 1HE2 GLN A 12 1.061 -2.491 -5.754 1.00 0.00 H ATOM 192 2HE2 GLN A 12 1.140 -2.937 -3.966 1.00 0.00 H HETATM 193 N AIB A 13 4.804 1.443 0.156 1.00 0.00 N HETATM 194 CA AIB A 13 5.607 2.541 0.780 1.00 0.00 C HETATM 195 C AIB A 13 7.101 1.995 1.010 1.00 0.00 C HETATM 196 O1 AIB A 13 8.031 2.532 0.387 1.00 0.00 O HETATM 197 CB1 AIB A 13 4.853 2.939 2.093 1.00 0.00 C HETATM 198 CB2 AIB A 13 5.578 3.865 -0.035 1.00 0.00 C HETATM 199 2HN AIB A 13 4.507 0.660 0.748 1.00 0.00 H HETATM 200 1HB1 AIB A 13 4.416 2.088 2.641 1.00 0.00 H HETATM 201 2HB1 AIB A 13 5.503 3.483 2.804 1.00 0.00 H HETATM 202 3HB1 AIB A 13 3.976 3.589 1.906 1.00 0.00 H HETATM 203 1HB2 AIB A 13 4.540 4.153 -0.298 1.00 0.00 H HETATM 204 2HB2 AIB A 13 6.031 4.700 0.523 1.00 0.00 H HETATM 205 3HB2 AIB A 13 6.138 3.776 -0.981 1.00 0.00 H HETATM 206 N HYP A 14 7.422 0.913 1.804 1.00 0.00 N HETATM 207 CA HYP A 14 8.805 0.409 1.990 1.00 0.00 C HETATM 208 C HYP A 14 9.520 -0.230 0.765 1.00 0.00 C HETATM 209 O HYP A 14 10.725 -0.008 0.633 1.00 0.00 O HETATM 210 CB HYP A 14 8.712 -0.567 3.178 1.00 0.00 C HETATM 211 CG HYP A 14 7.231 -0.882 3.408 1.00 0.00 C HETATM 212 CD HYP A 14 6.452 0.153 2.601 1.00 0.00 C HETATM 213 OD HYP A 14 6.908 -0.803 4.791 1.00 0.00 O HETATM 214 HA HYP A 14 9.422 1.262 2.327 1.00 0.00 H HETATM 215 1HB HYP A 14 9.277 -1.503 3.006 1.00 0.00 H HETATM 216 2HB HYP A 14 9.158 -0.106 4.081 1.00 0.00 H HETATM 217 1HD HYP A 14 5.729 -0.344 1.946 1.00 0.00 H HETATM 218 2HD HYP A 14 5.882 0.810 3.259 1.00 0.00 H HETATM 219 HOD HYP A 14 7.167 0.081 5.064 1.00 0.00 H HETATM 220 HG HYP A 14 6.990 -1.898 3.042 1.00 0.00 H HETATM 221 N AIB A 15 8.841 -1.031 -0.102 1.00 0.00 N HETATM 222 CA AIB A 15 9.456 -1.678 -1.309 1.00 0.00 C HETATM 223 C AIB A 15 10.117 -0.644 -2.315 1.00 0.00 C HETATM 224 O1 AIB A 15 11.282 -0.860 -2.676 1.00 0.00 O HETATM 225 CB1 AIB A 15 8.358 -2.515 -2.020 1.00 0.00 C HETATM 226 CB2 AIB A 15 10.493 -2.727 -0.802 1.00 0.00 C HETATM 227 2HN AIB A 15 7.819 -0.946 -0.051 1.00 0.00 H HETATM 228 1HB1 AIB A 15 7.481 -1.924 -2.324 1.00 0.00 H HETATM 229 2HB1 AIB A 15 8.739 -2.995 -2.941 1.00 0.00 H HETATM 230 3HB1 AIB A 15 7.960 -3.325 -1.378 1.00 0.00 H HETATM 231 1HB2 AIB A 15 10.071 -3.413 -0.046 1.00 0.00 H HETATM 232 2HB2 AIB A 15 10.896 -3.337 -1.631 1.00 0.00 H HETATM 233 3HB2 AIB A 15 11.367 -2.238 -0.330 1.00 0.00 H ATOM 234 N PRO A 16 9.516 0.512 -2.746 1.00 0.00 N ATOM 235 CA PRO A 16 10.287 1.640 -3.327 1.00 0.00 C ATOM 236 C PRO A 16 11.225 2.438 -2.377 1.00 0.00 C ATOM 237 O PRO A 16 12.245 2.948 -2.851 1.00 0.00 O ATOM 238 CB PRO A 16 9.202 2.505 -3.995 1.00 0.00 C ATOM 239 CG PRO A 16 7.911 2.213 -3.231 1.00 0.00 C ATOM 240 CD PRO A 16 8.097 0.854 -2.548 1.00 0.00 C ATOM 241 HA PRO A 16 10.942 1.242 -4.108 1.00 0.00 H ATOM 242 1HB PRO A 16 9.437 3.586 -3.993 1.00 0.00 H ATOM 243 2HB PRO A 16 9.081 2.223 -5.058 1.00 0.00 H ATOM 244 1HG PRO A 16 7.754 2.992 -2.462 1.00 0.00 H ATOM 245 2HG PRO A 16 7.022 2.239 -3.890 1.00 0.00 H ATOM 246 1HD PRO A 16 7.840 0.948 -1.485 1.00 0.00 H ATOM 247 2HD PRO A 16 7.425 0.080 -2.944 1.00 0.00 H HETATM 248 N PHL A 17 10.878 2.576 -1.082 1.00 0.00 N HETATM 249 CA PHL A 17 11.544 3.554 -0.177 1.00 0.00 C HETATM 250 C PHL A 17 12.013 2.839 1.113 1.00 0.00 C HETATM 251 O PHL A 17 12.813 3.705 1.912 1.00 0.00 O HETATM 252 CB PHL A 17 10.573 4.730 0.112 1.00 0.00 C HETATM 253 CG PHL A 17 10.079 5.556 -1.099 1.00 0.00 C HETATM 254 CD1 PHL A 17 8.706 5.665 -1.362 1.00 0.00 C HETATM 255 CD2 PHL A 17 10.987 6.146 -1.987 1.00 0.00 C HETATM 256 CE1 PHL A 17 8.255 6.336 -2.496 1.00 0.00 C HETATM 257 CE2 PHL A 17 10.536 6.812 -3.123 1.00 0.00 C HETATM 258 CZ PHL A 17 9.168 6.907 -3.375 1.00 0.00 C HETATM 259 H1 PHL A 17 12.612 1.935 0.879 1.00 0.00 H HETATM 260 H2 PHL A 17 11.154 2.484 1.709 1.00 0.00 H HETATM 261 HO PHL A 17 13.639 3.235 2.054 1.00 0.00 H HETATM 262 HA PHL A 17 12.455 3.977 -0.642 1.00 0.00 H HETATM 263 2HN PHL A 17 9.988 2.108 -0.848 1.00 0.00 H HETATM 264 1HB PHL A 17 9.710 4.307 0.659 1.00 0.00 H HETATM 265 2HB PHL A 17 11.055 5.422 0.830 1.00 0.00 H HETATM 266 HD1 PHL A 17 7.991 5.207 -0.702 1.00 0.00 H HETATM 267 HD2 PHL A 17 12.050 6.047 -1.820 1.00 0.00 H HETATM 268 HE1 PHL A 17 7.195 6.400 -2.700 1.00 0.00 H HETATM 269 HE2 PHL A 17 11.244 7.239 -3.817 1.00 0.00 H HETATM 270 HZ PHL A 17 8.820 7.412 -4.265 1.00 0.00 H TER 271 PHL A 17 ENDMDL MODEL 14 HETATM 1 C ACE A 1 -11.512 -1.545 -1.278 1.00 0.00 C HETATM 2 O ACE A 1 -10.412 -1.506 -1.827 1.00 0.00 O HETATM 3 CH3 ACE A 1 -12.434 -2.745 -1.491 1.00 0.00 C HETATM 4 1H ACE A 1 -13.462 -2.432 -1.749 1.00 0.00 H HETATM 5 2H ACE A 1 -12.068 -3.384 -2.315 1.00 0.00 H HETATM 6 3H ACE A 1 -12.484 -3.377 -0.584 1.00 0.00 H ATOM 7 N TRP A 2 -11.972 -0.591 -0.455 1.00 0.00 N ATOM 8 CA TRP A 2 -11.173 0.612 -0.068 1.00 0.00 C ATOM 9 C TRP A 2 -10.082 0.313 1.007 1.00 0.00 C ATOM 10 O TRP A 2 -8.926 0.708 0.832 1.00 0.00 O ATOM 11 CB TRP A 2 -12.121 1.772 0.371 1.00 0.00 C ATOM 12 CG TRP A 2 -11.892 3.097 -0.365 1.00 0.00 C ATOM 13 CD1 TRP A 2 -12.436 3.419 -1.627 1.00 0.00 C ATOM 14 CD2 TRP A 2 -11.237 4.241 0.061 1.00 0.00 C ATOM 15 NE1 TRP A 2 -12.146 4.743 -2.000 1.00 0.00 N ATOM 16 CE2 TRP A 2 -11.411 5.238 -0.934 1.00 0.00 C ATOM 17 CE3 TRP A 2 -10.539 4.539 1.261 1.00 0.00 C ATOM 18 CZ2 TRP A 2 -10.908 6.545 -0.727 1.00 0.00 C ATOM 19 CZ3 TRP A 2 -10.042 5.833 1.436 1.00 0.00 C ATOM 20 CH2 TRP A 2 -10.227 6.820 0.460 1.00 0.00 C ATOM 21 H TRP A 2 -12.901 -0.773 -0.060 1.00 0.00 H ATOM 22 HA TRP A 2 -10.630 0.938 -0.980 1.00 0.00 H ATOM 23 1HB TRP A 2 -13.186 1.499 0.228 1.00 0.00 H ATOM 24 2HB TRP A 2 -12.064 1.945 1.463 1.00 0.00 H ATOM 25 HD1 TRP A 2 -13.037 2.745 -2.221 1.00 0.00 H ATOM 26 HE1 TRP A 2 -12.467 5.246 -2.834 1.00 0.00 H ATOM 27 HE3 TRP A 2 -10.401 3.794 2.030 1.00 0.00 H ATOM 28 HZ2 TRP A 2 -11.059 7.323 -1.462 1.00 0.00 H ATOM 29 HZ3 TRP A 2 -9.517 6.083 2.346 1.00 0.00 H ATOM 30 HH2 TRP A 2 -9.844 7.816 0.633 1.00 0.00 H ATOM 31 N ILE A 3 -10.438 -0.408 2.093 1.00 0.00 N ATOM 32 CA ILE A 3 -9.445 -0.988 3.045 1.00 0.00 C ATOM 33 C ILE A 3 -8.525 -2.103 2.440 1.00 0.00 C ATOM 34 O ILE A 3 -7.336 -2.108 2.766 1.00 0.00 O ATOM 35 CB ILE A 3 -10.115 -1.354 4.420 1.00 0.00 C ATOM 36 CG1 ILE A 3 -9.055 -1.658 5.526 1.00 0.00 C ATOM 37 CG2 ILE A 3 -11.191 -2.470 4.308 1.00 0.00 C ATOM 38 CD1 ILE A 3 -9.569 -1.818 6.966 1.00 0.00 C ATOM 39 H ILE A 3 -11.425 -0.692 2.108 1.00 0.00 H ATOM 40 HA ILE A 3 -8.744 -0.155 3.248 1.00 0.00 H ATOM 41 HB ILE A 3 -10.654 -0.448 4.764 1.00 0.00 H ATOM 42 1HG1 ILE A 3 -8.475 -2.563 5.263 1.00 0.00 H ATOM 43 2HG1 ILE A 3 -8.313 -0.837 5.534 1.00 0.00 H ATOM 44 1HG2 ILE A 3 -10.758 -3.442 4.007 1.00 0.00 H ATOM 45 2HG2 ILE A 3 -11.725 -2.627 5.264 1.00 0.00 H ATOM 46 3HG2 ILE A 3 -11.968 -2.216 3.563 1.00 0.00 H ATOM 47 1HD1 ILE A 3 -10.196 -2.722 7.086 1.00 0.00 H ATOM 48 2HD1 ILE A 3 -8.726 -1.922 7.674 1.00 0.00 H ATOM 49 3HD1 ILE A 3 -10.166 -0.946 7.294 1.00 0.00 H ATOM 50 N GLN A 4 -9.023 -2.991 1.547 1.00 0.00 N ATOM 51 CA GLN A 4 -8.150 -3.889 0.732 1.00 0.00 C ATOM 52 C GLN A 4 -7.107 -3.146 -0.152 1.00 0.00 C ATOM 53 O GLN A 4 -5.950 -3.571 -0.159 1.00 0.00 O ATOM 54 CB GLN A 4 -9.013 -4.856 -0.128 1.00 0.00 C ATOM 55 CG GLN A 4 -8.251 -6.114 -0.620 1.00 0.00 C ATOM 56 CD GLN A 4 -8.908 -6.831 -1.813 1.00 0.00 C ATOM 57 OE1 GLN A 4 -8.991 -6.287 -2.914 1.00 0.00 O ATOM 58 NE2 GLN A 4 -9.346 -8.067 -1.643 1.00 0.00 N ATOM 59 H GLN A 4 -10.023 -2.889 1.349 1.00 0.00 H ATOM 60 HA GLN A 4 -7.565 -4.499 1.450 1.00 0.00 H ATOM 61 1HB GLN A 4 -9.891 -5.204 0.449 1.00 0.00 H ATOM 62 2HB GLN A 4 -9.441 -4.303 -0.988 1.00 0.00 H ATOM 63 1HG GLN A 4 -7.227 -5.840 -0.938 1.00 0.00 H ATOM 64 2HG GLN A 4 -8.101 -6.805 0.235 1.00 0.00 H ATOM 65 1HE2 GLN A 4 -9.722 -8.537 -2.474 1.00 0.00 H ATOM 66 2HE2 GLN A 4 -9.210 -8.481 -0.714 1.00 0.00 H HETATM 67 N DIV A 5 -7.501 -2.063 -0.869 1.00 0.00 N HETATM 68 CA DIV A 5 -6.610 -1.228 -1.720 1.00 0.00 C HETATM 69 CB1 DIV A 5 -6.095 -2.124 -2.897 1.00 0.00 C HETATM 70 CG1 DIV A 5 -7.069 -2.657 -3.970 1.00 0.00 C HETATM 71 CB2 DIV A 5 -7.473 -0.068 -2.300 1.00 0.00 C HETATM 72 C DIV A 5 -5.429 -0.576 -0.889 1.00 0.00 C HETATM 73 O DIV A 5 -4.257 -0.707 -1.260 1.00 0.00 O HETATM 74 2HN DIV A 5 -8.441 -1.730 -0.669 1.00 0.00 H HETATM 75 1HB1 DIV A 5 -5.313 -1.550 -3.382 1.00 0.00 H HETATM 76 2HB1 DIV A 5 -5.548 -2.995 -2.500 1.00 0.00 H HETATM 77 1HG1 DIV A 5 -7.505 -1.843 -4.577 1.00 0.00 H HETATM 78 2HG1 DIV A 5 -6.548 -3.328 -4.676 1.00 0.00 H HETATM 79 3HG1 DIV A 5 -7.903 -3.232 -3.525 1.00 0.00 H HETATM 80 1HB2 DIV A 5 -7.966 0.529 -1.512 1.00 0.00 H HETATM 81 2HB2 DIV A 5 -6.868 0.637 -2.900 1.00 0.00 H HETATM 82 3HB2 DIV A 5 -8.287 -0.419 -2.960 1.00 0.00 H ATOM 83 N ILE A 6 -5.727 0.093 0.256 1.00 0.00 N ATOM 84 CA ILE A 6 -4.684 0.600 1.208 1.00 0.00 C ATOM 85 C ILE A 6 -3.829 -0.535 1.895 1.00 0.00 C ATOM 86 O ILE A 6 -2.676 -0.270 2.241 1.00 0.00 O ATOM 87 CB ILE A 6 -5.322 1.646 2.205 1.00 0.00 C ATOM 88 CG1 ILE A 6 -6.052 2.854 1.530 1.00 0.00 C ATOM 89 CG2 ILE A 6 -4.344 2.204 3.274 1.00 0.00 C ATOM 90 CD1 ILE A 6 -5.209 3.765 0.620 1.00 0.00 C ATOM 91 H ILE A 6 -6.728 0.131 0.477 1.00 0.00 H ATOM 92 HA ILE A 6 -3.953 1.167 0.602 1.00 0.00 H ATOM 93 HB ILE A 6 -6.101 1.105 2.779 1.00 0.00 H ATOM 94 1HG1 ILE A 6 -6.909 2.482 0.941 1.00 0.00 H ATOM 95 2HG1 ILE A 6 -6.520 3.483 2.309 1.00 0.00 H ATOM 96 1HG2 ILE A 6 -3.448 2.667 2.819 1.00 0.00 H ATOM 97 2HG2 ILE A 6 -4.818 2.972 3.913 1.00 0.00 H ATOM 98 3HG2 ILE A 6 -3.990 1.413 3.959 1.00 0.00 H ATOM 99 1HD1 ILE A 6 -4.776 3.213 -0.234 1.00 0.00 H ATOM 100 2HD1 ILE A 6 -5.823 4.581 0.199 1.00 0.00 H ATOM 101 3HD1 ILE A 6 -4.373 4.238 1.167 1.00 0.00 H ATOM 102 N THR A 7 -4.345 -1.774 2.056 1.00 0.00 N ATOM 103 CA THR A 7 -3.557 -2.961 2.505 1.00 0.00 C ATOM 104 C THR A 7 -2.546 -3.488 1.445 1.00 0.00 C ATOM 105 O THR A 7 -1.383 -3.651 1.809 1.00 0.00 O ATOM 106 CB THR A 7 -4.512 -4.040 3.093 1.00 0.00 C ATOM 107 OG1 THR A 7 -5.235 -3.484 4.189 1.00 0.00 O ATOM 108 CG2 THR A 7 -3.839 -5.323 3.614 1.00 0.00 C ATOM 109 H THR A 7 -5.317 -1.867 1.741 1.00 0.00 H ATOM 110 HA THR A 7 -2.930 -2.625 3.344 1.00 0.00 H ATOM 111 HB THR A 7 -5.239 -4.336 2.314 1.00 0.00 H ATOM 112 HG1 THR A 7 -5.541 -2.624 3.891 1.00 0.00 H ATOM 113 1HG2 THR A 7 -4.581 -5.999 4.078 1.00 0.00 H ATOM 114 2HG2 THR A 7 -3.355 -5.893 2.798 1.00 0.00 H ATOM 115 3HG2 THR A 7 -3.062 -5.113 4.375 1.00 0.00 H HETATM 116 N AIB A 8 -2.934 -3.724 0.169 1.00 0.00 N HETATM 117 CA AIB A 8 -1.965 -4.004 -0.957 1.00 0.00 C HETATM 118 C AIB A 8 -0.855 -2.896 -1.157 1.00 0.00 C HETATM 119 O1 AIB A 8 0.318 -3.189 -1.421 1.00 0.00 O HETATM 120 CB1 AIB A 8 -2.811 -4.063 -2.255 1.00 0.00 C HETATM 121 CB2 AIB A 8 -1.329 -5.416 -0.780 1.00 0.00 C HETATM 122 2HN AIB A 8 -3.902 -3.420 -0.011 1.00 0.00 H HETATM 123 1HB1 AIB A 8 -3.292 -3.092 -2.480 1.00 0.00 H HETATM 124 2HB1 AIB A 8 -2.196 -4.314 -3.140 1.00 0.00 H HETATM 125 3HB1 AIB A 8 -3.620 -4.817 -2.203 1.00 0.00 H HETATM 126 1HB2 AIB A 8 -2.086 -6.217 -0.679 1.00 0.00 H HETATM 127 2HB2 AIB A 8 -0.684 -5.693 -1.636 1.00 0.00 H HETATM 128 3HB2 AIB A 8 -0.682 -5.472 0.116 1.00 0.00 H ATOM 129 N LEU A 9 -1.242 -1.612 -1.016 1.00 0.00 N ATOM 130 CA LEU A 9 -0.323 -0.445 -1.063 1.00 0.00 C ATOM 131 C LEU A 9 0.524 -0.181 0.230 1.00 0.00 C ATOM 132 O LEU A 9 1.507 0.557 0.122 1.00 0.00 O ATOM 133 CB LEU A 9 -1.166 0.792 -1.494 1.00 0.00 C ATOM 134 CG LEU A 9 -1.614 0.820 -2.988 1.00 0.00 C ATOM 135 CD1 LEU A 9 -2.811 1.759 -3.234 1.00 0.00 C ATOM 136 CD2 LEU A 9 -0.453 1.197 -3.930 1.00 0.00 C ATOM 137 H LEU A 9 -2.225 -1.500 -0.742 1.00 0.00 H ATOM 138 HA LEU A 9 0.415 -0.614 -1.866 1.00 0.00 H ATOM 139 1HB LEU A 9 -2.047 0.869 -0.829 1.00 0.00 H ATOM 140 2HB LEU A 9 -0.590 1.713 -1.289 1.00 0.00 H ATOM 141 HG LEU A 9 -1.960 -0.192 -3.273 1.00 0.00 H ATOM 142 1HD1 LEU A 9 -2.579 2.807 -2.966 1.00 0.00 H ATOM 143 2HD1 LEU A 9 -3.122 1.754 -4.297 1.00 0.00 H ATOM 144 3HD1 LEU A 9 -3.701 1.459 -2.651 1.00 0.00 H ATOM 145 1HD2 LEU A 9 0.409 0.516 -3.822 1.00 0.00 H ATOM 146 2HD2 LEU A 9 -0.752 1.157 -4.994 1.00 0.00 H ATOM 147 3HD2 LEU A 9 -0.082 2.219 -3.728 1.00 0.00 H HETATM 148 N AIB A 10 0.200 -0.765 1.418 1.00 0.00 N HETATM 149 CA AIB A 10 1.020 -0.693 2.672 1.00 0.00 C HETATM 150 C AIB A 10 2.498 -1.250 2.467 1.00 0.00 C HETATM 151 O1 AIB A 10 3.430 -0.480 2.722 1.00 0.00 O HETATM 152 CB1 AIB A 10 0.267 -1.490 3.778 1.00 0.00 C HETATM 153 CB2 AIB A 10 1.001 0.785 3.184 1.00 0.00 C HETATM 154 2HN AIB A 10 -0.598 -1.411 1.358 1.00 0.00 H HETATM 155 1HB1 AIB A 10 0.070 -2.541 3.508 1.00 0.00 H HETATM 156 2HB1 AIB A 10 0.826 -1.523 4.734 1.00 0.00 H HETATM 157 3HB1 AIB A 10 -0.725 -1.059 4.016 1.00 0.00 H HETATM 158 1HB2 AIB A 10 -0.026 1.184 3.289 1.00 0.00 H HETATM 159 2HB2 AIB A 10 1.494 0.901 4.168 1.00 0.00 H HETATM 160 3HB2 AIB A 10 1.530 1.469 2.497 1.00 0.00 H HETATM 161 N HYP A 11 2.811 -2.489 1.950 1.00 0.00 N HETATM 162 CA HYP A 11 4.175 -2.856 1.470 1.00 0.00 C HETATM 163 C HYP A 11 4.746 -2.123 0.208 1.00 0.00 C HETATM 164 O HYP A 11 5.937 -2.297 -0.066 1.00 0.00 O HETATM 165 CB HYP A 11 4.076 -4.382 1.271 1.00 0.00 C HETATM 166 CG HYP A 11 2.601 -4.662 0.994 1.00 0.00 C HETATM 167 CD HYP A 11 1.868 -3.611 1.827 1.00 0.00 C HETATM 168 OD HYP A 11 2.227 -5.973 1.403 1.00 0.00 O HETATM 169 HA HYP A 11 4.893 -2.676 2.292 1.00 0.00 H HETATM 170 1HB HYP A 11 4.729 -4.768 0.467 1.00 0.00 H HETATM 171 2HB HYP A 11 4.392 -4.903 2.193 1.00 0.00 H HETATM 172 1HD HYP A 11 0.932 -3.325 1.324 1.00 0.00 H HETATM 173 2HD HYP A 11 1.626 -4.005 2.834 1.00 0.00 H HETATM 174 HOD HYP A 11 1.271 -5.959 1.500 1.00 0.00 H HETATM 175 HG HYP A 11 2.381 -4.524 -0.084 1.00 0.00 H ATOM 176 N GLN A 12 3.968 -1.270 -0.499 1.00 0.00 N ATOM 177 CA GLN A 12 4.500 -0.330 -1.519 1.00 0.00 C ATOM 178 C GLN A 12 4.771 1.129 -1.024 1.00 0.00 C ATOM 179 O GLN A 12 5.004 1.993 -1.870 1.00 0.00 O ATOM 180 CB GLN A 12 3.568 -0.314 -2.764 1.00 0.00 C ATOM 181 CG GLN A 12 3.267 -1.685 -3.398 1.00 0.00 C ATOM 182 CD GLN A 12 2.536 -1.583 -4.749 1.00 0.00 C ATOM 183 OE1 GLN A 12 3.029 -0.987 -5.707 1.00 0.00 O ATOM 184 NE2 GLN A 12 1.350 -2.149 -4.866 1.00 0.00 N ATOM 185 H GLN A 12 3.027 -1.105 -0.135 1.00 0.00 H ATOM 186 HA GLN A 12 5.493 -0.691 -1.836 1.00 0.00 H ATOM 187 1HB GLN A 12 2.612 0.182 -2.515 1.00 0.00 H ATOM 188 2HB GLN A 12 4.030 0.338 -3.527 1.00 0.00 H ATOM 189 1HG GLN A 12 4.216 -2.239 -3.535 1.00 0.00 H ATOM 190 2HG GLN A 12 2.683 -2.269 -2.657 1.00 0.00 H ATOM 191 1HE2 GLN A 12 0.911 -2.063 -5.789 1.00 0.00 H ATOM 192 2HE2 GLN A 12 0.976 -2.623 -4.037 1.00 0.00 H HETATM 193 N AIB A 13 4.814 1.387 0.304 1.00 0.00 N HETATM 194 CA AIB A 13 5.631 2.450 0.967 1.00 0.00 C HETATM 195 C AIB A 13 7.136 1.909 1.122 1.00 0.00 C HETATM 196 O1 AIB A 13 8.041 2.490 0.504 1.00 0.00 O HETATM 197 CB1 AIB A 13 4.910 2.759 2.318 1.00 0.00 C HETATM 198 CB2 AIB A 13 5.571 3.818 0.227 1.00 0.00 C HETATM 199 2HN AIB A 13 4.521 0.573 0.861 1.00 0.00 H HETATM 200 1HB1 AIB A 13 4.514 1.866 2.837 1.00 0.00 H HETATM 201 2HB1 AIB A 13 5.567 3.283 3.036 1.00 0.00 H HETATM 202 3HB1 AIB A 13 4.010 3.396 2.193 1.00 0.00 H HETATM 203 1HB2 AIB A 13 4.529 4.107 -0.017 1.00 0.00 H HETATM 204 2HB2 AIB A 13 6.014 4.630 0.827 1.00 0.00 H HETATM 205 3HB2 AIB A 13 6.128 3.789 -0.724 1.00 0.00 H HETATM 206 N HYP A 14 7.495 0.792 1.849 1.00 0.00 N HETATM 207 CA HYP A 14 8.889 0.285 1.947 1.00 0.00 C HETATM 208 C HYP A 14 9.560 -0.282 0.665 1.00 0.00 C HETATM 209 O HYP A 14 10.762 -0.057 0.513 1.00 0.00 O HETATM 210 CB HYP A 14 8.844 -0.764 3.074 1.00 0.00 C HETATM 211 CG HYP A 14 7.377 -1.126 3.314 1.00 0.00 C HETATM 212 CD HYP A 14 6.559 -0.054 2.596 1.00 0.00 C HETATM 213 OD HYP A 14 7.085 -1.143 4.707 1.00 0.00 O HETATM 214 HA HYP A 14 9.523 1.116 2.306 1.00 0.00 H HETATM 215 1HB HYP A 14 9.420 -1.675 2.823 1.00 0.00 H HETATM 216 2HB HYP A 14 9.302 -0.354 3.995 1.00 0.00 H HETATM 217 1HD HYP A 14 5.841 -0.521 1.912 1.00 0.00 H HETATM 218 2HD HYP A 14 5.979 0.529 3.312 1.00 0.00 H HETATM 219 HOD HYP A 14 7.295 -0.262 5.026 1.00 0.00 H HETATM 220 HG HYP A 14 7.154 -2.123 2.888 1.00 0.00 H HETATM 221 N AIB A 15 8.847 -1.027 -0.226 1.00 0.00 N HETATM 222 CA AIB A 15 9.428 -1.593 -1.491 1.00 0.00 C HETATM 223 C AIB A 15 10.047 -0.484 -2.449 1.00 0.00 C HETATM 224 O1 AIB A 15 11.196 -0.668 -2.870 1.00 0.00 O HETATM 225 CB1 AIB A 15 8.320 -2.391 -2.228 1.00 0.00 C HETATM 226 CB2 AIB A 15 10.488 -2.665 -1.093 1.00 0.00 C HETATM 227 2HN AIB A 15 7.825 -0.951 -0.139 1.00 0.00 H HETATM 228 1HB1 AIB A 15 7.434 -1.785 -2.474 1.00 0.00 H HETATM 229 2HB1 AIB A 15 8.684 -2.809 -3.185 1.00 0.00 H HETATM 230 3HB1 AIB A 15 7.941 -3.244 -1.631 1.00 0.00 H HETATM 231 1HB2 AIB A 15 10.092 -3.409 -0.377 1.00 0.00 H HETATM 232 2HB2 AIB A 15 10.869 -3.214 -1.974 1.00 0.00 H HETATM 233 3HB2 AIB A 15 11.373 -2.204 -0.613 1.00 0.00 H ATOM 234 N PRO A 16 9.423 0.694 -2.779 1.00 0.00 N ATOM 235 CA PRO A 16 10.156 1.862 -3.329 1.00 0.00 C ATOM 236 C PRO A 16 11.117 2.625 -2.375 1.00 0.00 C ATOM 237 O PRO A 16 12.079 3.217 -2.872 1.00 0.00 O ATOM 238 CB PRO A 16 9.041 2.754 -3.899 1.00 0.00 C ATOM 239 CG PRO A 16 7.797 2.421 -3.079 1.00 0.00 C ATOM 240 CD PRO A 16 8.009 1.010 -2.511 1.00 0.00 C ATOM 241 HA PRO A 16 10.788 1.516 -4.152 1.00 0.00 H ATOM 242 1HB PRO A 16 9.278 3.835 -3.863 1.00 0.00 H ATOM 243 2HB PRO A 16 8.863 2.516 -4.966 1.00 0.00 H ATOM 244 1HG PRO A 16 7.703 3.145 -2.250 1.00 0.00 H ATOM 245 2HG PRO A 16 6.876 2.505 -3.682 1.00 0.00 H ATOM 246 1HD PRO A 16 7.782 1.010 -1.436 1.00 0.00 H ATOM 247 2HD PRO A 16 7.338 0.261 -2.951 1.00 0.00 H HETATM 248 N PHL A 17 10.845 2.653 -1.055 1.00 0.00 N HETATM 249 CA PHL A 17 11.553 3.571 -0.123 1.00 0.00 C HETATM 250 C PHL A 17 12.107 2.780 1.082 1.00 0.00 C HETATM 251 O PHL A 17 12.992 3.585 1.852 1.00 0.00 O HETATM 252 CB PHL A 17 10.589 4.705 0.312 1.00 0.00 C HETATM 253 CG PHL A 17 10.013 5.610 -0.802 1.00 0.00 C HETATM 254 CD1 PHL A 17 8.629 5.737 -0.944 1.00 0.00 C HETATM 255 CD2 PHL A 17 10.853 6.278 -1.706 1.00 0.00 C HETATM 256 CE1 PHL A 17 8.089 6.507 -1.969 1.00 0.00 C HETATM 257 CE2 PHL A 17 10.313 7.047 -2.731 1.00 0.00 C HETATM 258 CZ PHL A 17 8.932 7.167 -2.859 1.00 0.00 C HETATM 259 H1 PHL A 17 12.658 1.881 0.747 1.00 0.00 H HETATM 260 H2 PHL A 17 11.288 2.421 1.732 1.00 0.00 H HETATM 261 HO PHL A 17 13.702 3.840 1.259 1.00 0.00 H HETATM 262 HA PHL A 17 12.428 4.038 -0.614 1.00 0.00 H HETATM 263 2HN PHL A 17 9.973 2.159 -0.803 1.00 0.00 H HETATM 264 1HB PHL A 17 9.766 4.230 0.882 1.00 0.00 H HETATM 265 2HB PHL A 17 11.109 5.355 1.041 1.00 0.00 H HETATM 266 HD1 PHL A 17 7.964 5.226 -0.264 1.00 0.00 H HETATM 267 HD2 PHL A 17 11.926 6.172 -1.633 1.00 0.00 H HETATM 268 HE1 PHL A 17 7.018 6.590 -2.074 1.00 0.00 H HETATM 269 HE2 PHL A 17 10.965 7.546 -3.433 1.00 0.00 H HETATM 270 HZ PHL A 17 8.513 7.774 -3.649 1.00 0.00 H TER 271 PHL A 17 ENDMDL MODEL 15 HETATM 1 C ACE A 1 -11.475 -1.576 -1.112 1.00 0.00 C HETATM 2 O ACE A 1 -10.448 -1.351 -1.751 1.00 0.00 O HETATM 3 CH3 ACE A 1 -12.265 -2.860 -1.343 1.00 0.00 C HETATM 4 1H ACE A 1 -13.303 -2.647 -1.660 1.00 0.00 H HETATM 5 2H ACE A 1 -11.792 -3.475 -2.131 1.00 0.00 H HETATM 6 3H ACE A 1 -12.307 -3.475 -0.424 1.00 0.00 H ATOM 7 N TRP A 2 -11.964 -0.757 -0.172 1.00 0.00 N ATOM 8 CA TRP A 2 -11.260 0.478 0.296 1.00 0.00 C ATOM 9 C TRP A 2 -10.049 0.169 1.211 1.00 0.00 C ATOM 10 O TRP A 2 -8.916 0.511 0.854 1.00 0.00 O ATOM 11 CB TRP A 2 -12.199 1.568 0.917 1.00 0.00 C ATOM 12 CG TRP A 2 -13.549 1.143 1.526 1.00 0.00 C ATOM 13 CD1 TRP A 2 -13.744 0.385 2.702 1.00 0.00 C ATOM 14 CD2 TRP A 2 -14.810 1.307 0.976 1.00 0.00 C ATOM 15 NE1 TRP A 2 -15.098 0.048 2.885 1.00 0.00 N ATOM 16 CE2 TRP A 2 -15.740 0.630 1.803 1.00 0.00 C ATOM 17 CE3 TRP A 2 -15.246 1.969 -0.205 1.00 0.00 C ATOM 18 CZ2 TRP A 2 -17.111 0.594 1.448 1.00 0.00 C ATOM 19 CZ3 TRP A 2 -16.605 1.932 -0.523 1.00 0.00 C ATOM 20 CH2 TRP A 2 -17.522 1.253 0.286 1.00 0.00 C ATOM 21 H TRP A 2 -12.828 -1.080 0.278 1.00 0.00 H ATOM 22 HA TRP A 2 -10.810 0.945 -0.602 1.00 0.00 H ATOM 23 1HB TRP A 2 -11.656 2.179 1.665 1.00 0.00 H ATOM 24 2HB TRP A 2 -12.404 2.298 0.123 1.00 0.00 H ATOM 25 HD1 TRP A 2 -12.952 0.047 3.354 1.00 0.00 H ATOM 26 HE1 TRP A 2 -15.507 -0.543 3.618 1.00 0.00 H ATOM 27 HE3 TRP A 2 -14.554 2.497 -0.843 1.00 0.00 H ATOM 28 HZ2 TRP A 2 -17.828 0.065 2.058 1.00 0.00 H ATOM 29 HZ3 TRP A 2 -16.952 2.438 -1.413 1.00 0.00 H ATOM 30 HH2 TRP A 2 -18.566 1.241 0.009 1.00 0.00 H ATOM 31 N ILE A 3 -10.275 -0.491 2.361 1.00 0.00 N ATOM 32 CA ILE A 3 -9.170 -1.019 3.213 1.00 0.00 C ATOM 33 C ILE A 3 -8.349 -2.198 2.597 1.00 0.00 C ATOM 34 O ILE A 3 -7.150 -2.256 2.873 1.00 0.00 O ATOM 35 CB ILE A 3 -9.603 -1.198 4.711 1.00 0.00 C ATOM 36 CG1 ILE A 3 -8.382 -1.390 5.661 1.00 0.00 C ATOM 37 CG2 ILE A 3 -10.660 -2.305 4.953 1.00 0.00 C ATOM 38 CD1 ILE A 3 -8.592 -0.919 7.109 1.00 0.00 C ATOM 39 H ILE A 3 -11.273 -0.620 2.570 1.00 0.00 H ATOM 40 HA ILE A 3 -8.428 -0.197 3.223 1.00 0.00 H ATOM 41 HB ILE A 3 -10.080 -0.243 5.002 1.00 0.00 H ATOM 42 1HG1 ILE A 3 -8.062 -2.449 5.661 1.00 0.00 H ATOM 43 2HG1 ILE A 3 -7.505 -0.838 5.272 1.00 0.00 H ATOM 44 1HG2 ILE A 3 -10.293 -3.306 4.662 1.00 0.00 H ATOM 45 2HG2 ILE A 3 -10.948 -2.364 6.018 1.00 0.00 H ATOM 46 3HG2 ILE A 3 -11.593 -2.118 4.389 1.00 0.00 H ATOM 47 1HD1 ILE A 3 -9.466 -1.396 7.589 1.00 0.00 H ATOM 48 2HD1 ILE A 3 -7.708 -1.155 7.729 1.00 0.00 H ATOM 49 3HD1 ILE A 3 -8.739 0.177 7.160 1.00 0.00 H ATOM 50 N GLN A 4 -8.911 -3.071 1.731 1.00 0.00 N ATOM 51 CA GLN A 4 -8.093 -3.976 0.868 1.00 0.00 C ATOM 52 C GLN A 4 -7.113 -3.247 -0.103 1.00 0.00 C ATOM 53 O GLN A 4 -5.958 -3.671 -0.168 1.00 0.00 O ATOM 54 CB GLN A 4 -8.984 -4.989 0.100 1.00 0.00 C ATOM 55 CG GLN A 4 -9.474 -6.177 0.970 1.00 0.00 C ATOM 56 CD GLN A 4 -10.384 -7.192 0.255 1.00 0.00 C ATOM 57 OE1 GLN A 4 -10.751 -7.060 -0.914 1.00 0.00 O ATOM 58 NE2 GLN A 4 -10.775 -8.244 0.957 1.00 0.00 N ATOM 59 H GLN A 4 -9.913 -2.931 1.569 1.00 0.00 H ATOM 60 HA GLN A 4 -7.446 -4.575 1.543 1.00 0.00 H ATOM 61 1HB GLN A 4 -9.841 -4.473 -0.373 1.00 0.00 H ATOM 62 2HB GLN A 4 -8.415 -5.424 -0.748 1.00 0.00 H ATOM 63 1HG GLN A 4 -8.589 -6.714 1.364 1.00 0.00 H ATOM 64 2HG GLN A 4 -9.999 -5.791 1.865 1.00 0.00 H ATOM 65 1HE2 GLN A 4 -11.384 -8.915 0.477 1.00 0.00 H ATOM 66 2HE2 GLN A 4 -10.437 -8.306 1.923 1.00 0.00 H HETATM 67 N DIV A 5 -7.538 -2.175 -0.825 1.00 0.00 N HETATM 68 CA DIV A 5 -6.672 -1.343 -1.718 1.00 0.00 C HETATM 69 CB1 DIV A 5 -6.184 -2.235 -2.909 1.00 0.00 C HETATM 70 CG1 DIV A 5 -7.193 -2.776 -3.942 1.00 0.00 C HETATM 71 CB2 DIV A 5 -7.544 -0.178 -2.281 1.00 0.00 C HETATM 72 C DIV A 5 -5.463 -0.674 -0.947 1.00 0.00 C HETATM 73 O DIV A 5 -4.303 -0.816 -1.346 1.00 0.00 O HETATM 74 2HN DIV A 5 -8.500 -1.886 -0.654 1.00 0.00 H HETATM 75 1HB1 DIV A 5 -5.432 -1.649 -3.429 1.00 0.00 H HETATM 76 2HB1 DIV A 5 -5.612 -3.101 -2.532 1.00 0.00 H HETATM 77 1HG1 DIV A 5 -7.671 -1.963 -4.517 1.00 0.00 H HETATM 78 2HG1 DIV A 5 -6.686 -3.428 -4.675 1.00 0.00 H HETATM 79 3HG1 DIV A 5 -7.995 -3.369 -3.464 1.00 0.00 H HETATM 80 1HB2 DIV A 5 -8.015 0.424 -1.485 1.00 0.00 H HETATM 81 2HB2 DIV A 5 -6.955 0.527 -2.895 1.00 0.00 H HETATM 82 3HB2 DIV A 5 -8.372 -0.525 -2.920 1.00 0.00 H ATOM 83 N ILE A 6 -5.727 0.038 0.175 1.00 0.00 N ATOM 84 CA ILE A 6 -4.662 0.627 1.050 1.00 0.00 C ATOM 85 C ILE A 6 -3.785 -0.463 1.777 1.00 0.00 C ATOM 86 O ILE A 6 -2.629 -0.167 2.090 1.00 0.00 O ATOM 87 CB ILE A 6 -5.255 1.737 2.004 1.00 0.00 C ATOM 88 CG1 ILE A 6 -6.081 2.845 1.266 1.00 0.00 C ATOM 89 CG2 ILE A 6 -4.154 2.444 2.845 1.00 0.00 C ATOM 90 CD1 ILE A 6 -7.017 3.682 2.155 1.00 0.00 C ATOM 91 H ILE A 6 -6.721 0.094 0.416 1.00 0.00 H ATOM 92 HA ILE A 6 -3.964 1.159 0.375 1.00 0.00 H ATOM 93 HB ILE A 6 -5.933 1.226 2.716 1.00 0.00 H ATOM 94 1HG1 ILE A 6 -5.404 3.516 0.703 1.00 0.00 H ATOM 95 2HG1 ILE A 6 -6.727 2.398 0.490 1.00 0.00 H ATOM 96 1HG2 ILE A 6 -3.383 2.910 2.204 1.00 0.00 H ATOM 97 2HG2 ILE A 6 -4.558 3.241 3.494 1.00 0.00 H ATOM 98 3HG2 ILE A 6 -3.635 1.746 3.524 1.00 0.00 H ATOM 99 1HD1 ILE A 6 -6.468 4.259 2.920 1.00 0.00 H ATOM 100 2HD1 ILE A 6 -7.587 4.411 1.549 1.00 0.00 H ATOM 101 3HD1 ILE A 6 -7.755 3.046 2.679 1.00 0.00 H ATOM 102 N THR A 7 -4.283 -1.702 2.000 1.00 0.00 N ATOM 103 CA THR A 7 -3.465 -2.856 2.471 1.00 0.00 C ATOM 104 C THR A 7 -2.508 -3.448 1.392 1.00 0.00 C ATOM 105 O THR A 7 -1.342 -3.645 1.726 1.00 0.00 O ATOM 106 CB THR A 7 -4.376 -3.904 3.181 1.00 0.00 C ATOM 107 OG1 THR A 7 -5.007 -3.295 4.305 1.00 0.00 O ATOM 108 CG2 THR A 7 -3.670 -5.166 3.713 1.00 0.00 C ATOM 109 H THR A 7 -5.250 -1.826 1.675 1.00 0.00 H ATOM 110 HA THR A 7 -2.792 -2.469 3.249 1.00 0.00 H ATOM 111 HB THR A 7 -5.161 -4.235 2.475 1.00 0.00 H ATOM 112 HG1 THR A 7 -5.470 -2.526 3.964 1.00 0.00 H ATOM 113 1HG2 THR A 7 -4.375 -5.801 4.280 1.00 0.00 H ATOM 114 2HG2 THR A 7 -3.272 -5.787 2.890 1.00 0.00 H ATOM 115 3HG2 THR A 7 -2.828 -4.926 4.388 1.00 0.00 H HETATM 116 N AIB A 8 -2.937 -3.709 0.134 1.00 0.00 N HETATM 117 CA AIB A 8 -2.010 -4.055 -1.010 1.00 0.00 C HETATM 118 C AIB A 8 -0.863 -2.993 -1.260 1.00 0.00 C HETATM 119 O1 AIB A 8 0.300 -3.335 -1.511 1.00 0.00 O HETATM 120 CB1 AIB A 8 -2.892 -4.112 -2.285 1.00 0.00 C HETATM 121 CB2 AIB A 8 -1.428 -5.485 -0.807 1.00 0.00 C HETATM 122 2HN AIB A 8 -3.895 -3.375 -0.037 1.00 0.00 H HETATM 123 1HB1 AIB A 8 -3.349 -3.132 -2.512 1.00 0.00 H HETATM 124 2HB1 AIB A 8 -2.306 -4.393 -3.181 1.00 0.00 H HETATM 125 3HB1 AIB A 8 -3.721 -4.843 -2.202 1.00 0.00 H HETATM 126 1HB2 AIB A 8 -2.214 -6.251 -0.664 1.00 0.00 H HETATM 127 2HB2 AIB A 8 -0.818 -5.811 -1.671 1.00 0.00 H HETATM 128 3HB2 AIB A 8 -0.764 -5.542 0.075 1.00 0.00 H ATOM 129 N LEU A 9 -1.218 -1.696 -1.176 1.00 0.00 N ATOM 130 CA LEU A 9 -0.272 -0.554 -1.287 1.00 0.00 C ATOM 131 C LEU A 9 0.532 -0.190 0.008 1.00 0.00 C ATOM 132 O LEU A 9 1.499 0.566 -0.113 1.00 0.00 O ATOM 133 CB LEU A 9 -1.086 0.642 -1.858 1.00 0.00 C ATOM 134 CG LEU A 9 -1.445 0.537 -3.377 1.00 0.00 C ATOM 135 CD1 LEU A 9 -2.709 1.338 -3.748 1.00 0.00 C ATOM 136 CD2 LEU A 9 -0.259 0.958 -4.270 1.00 0.00 C ATOM 137 H LEU A 9 -2.197 -1.548 -0.906 1.00 0.00 H ATOM 138 HA LEU A 9 0.496 -0.792 -2.045 1.00 0.00 H ATOM 139 1HB LEU A 9 -2.004 0.773 -1.251 1.00 0.00 H ATOM 140 2HB LEU A 9 -0.523 1.578 -1.694 1.00 0.00 H ATOM 141 HG LEU A 9 -1.684 -0.513 -3.618 1.00 0.00 H ATOM 142 1HD1 LEU A 9 -2.609 2.414 -3.518 1.00 0.00 H ATOM 143 2HD1 LEU A 9 -2.942 1.250 -4.826 1.00 0.00 H ATOM 144 3HD1 LEU A 9 -3.601 0.968 -3.208 1.00 0.00 H ATOM 145 1HD2 LEU A 9 0.649 0.360 -4.061 1.00 0.00 H ATOM 146 2HD2 LEU A 9 -0.482 0.826 -5.346 1.00 0.00 H ATOM 147 3HD2 LEU A 9 0.013 2.018 -4.115 1.00 0.00 H HETATM 148 N AIB A 10 0.181 -0.718 1.217 1.00 0.00 N HETATM 149 CA AIB A 10 0.953 -0.544 2.496 1.00 0.00 C HETATM 150 C AIB A 10 2.437 -1.107 2.388 1.00 0.00 C HETATM 151 O1 AIB A 10 3.355 -0.319 2.626 1.00 0.00 O HETATM 152 CB1 AIB A 10 0.173 -1.266 3.635 1.00 0.00 C HETATM 153 CB2 AIB A 10 0.909 0.969 2.891 1.00 0.00 C HETATM 154 2HN AIB A 10 -0.571 -1.419 1.160 1.00 0.00 H HETATM 155 1HB1 AIB A 10 -0.046 -2.324 3.413 1.00 0.00 H HETATM 156 2HB1 AIB A 10 0.729 -1.258 4.593 1.00 0.00 H HETATM 157 3HB1 AIB A 10 -0.809 -0.797 3.844 1.00 0.00 H HETATM 158 1HB2 AIB A 10 -0.124 1.369 2.919 1.00 0.00 H HETATM 159 2HB2 AIB A 10 1.360 1.161 3.884 1.00 0.00 H HETATM 160 3HB2 AIB A 10 1.466 1.603 2.177 1.00 0.00 H HETATM 161 N HYP A 11 2.772 -2.379 1.983 1.00 0.00 N HETATM 162 CA HYP A 11 4.153 -2.771 1.577 1.00 0.00 C HETATM 163 C HYP A 11 4.758 -2.118 0.287 1.00 0.00 C HETATM 164 O HYP A 11 5.960 -2.293 0.062 1.00 0.00 O HETATM 165 CB HYP A 11 4.050 -4.307 1.469 1.00 0.00 C HETATM 166 CG HYP A 11 2.595 -4.578 1.085 1.00 0.00 C HETATM 167 CD HYP A 11 1.825 -3.497 1.842 1.00 0.00 C HETATM 168 OD HYP A 11 2.171 -5.880 1.472 1.00 0.00 O HETATM 169 HA HYP A 11 4.842 -2.544 2.410 1.00 0.00 H HETATM 170 1HB HYP A 11 4.762 -4.752 0.749 1.00 0.00 H HETATM 171 2HB HYP A 11 4.274 -4.775 2.448 1.00 0.00 H HETATM 172 1HD HYP A 11 0.929 -3.223 1.271 1.00 0.00 H HETATM 173 2HD HYP A 11 1.524 -3.855 2.849 1.00 0.00 H HETATM 174 HOD HYP A 11 1.580 -5.757 2.220 1.00 0.00 H HETATM 175 HG HYP A 11 2.468 -4.451 -0.009 1.00 0.00 H ATOM 176 N GLN A 12 3.998 -1.322 -0.505 1.00 0.00 N ATOM 177 CA GLN A 12 4.558 -0.448 -1.569 1.00 0.00 C ATOM 178 C GLN A 12 4.796 1.041 -1.163 1.00 0.00 C ATOM 179 O GLN A 12 5.032 1.857 -2.056 1.00 0.00 O ATOM 180 CB GLN A 12 3.672 -0.525 -2.843 1.00 0.00 C ATOM 181 CG GLN A 12 3.393 -1.940 -3.389 1.00 0.00 C ATOM 182 CD GLN A 12 2.709 -1.938 -4.764 1.00 0.00 C ATOM 183 OE1 GLN A 12 3.226 -1.405 -5.752 1.00 0.00 O ATOM 184 NE2 GLN A 12 1.534 -2.529 -4.880 1.00 0.00 N ATOM 185 H GLN A 12 3.045 -1.142 -0.181 1.00 0.00 H ATOM 186 HA GLN A 12 5.563 -0.818 -1.825 1.00 0.00 H ATOM 187 1HB GLN A 12 2.707 -0.010 -2.671 1.00 0.00 H ATOM 188 2HB GLN A 12 4.165 0.064 -3.635 1.00 0.00 H ATOM 189 1HG GLN A 12 4.342 -2.503 -3.439 1.00 0.00 H ATOM 190 2HG GLN A 12 2.774 -2.469 -2.629 1.00 0.00 H ATOM 191 1HE2 GLN A 12 1.121 -2.536 -5.816 1.00 0.00 H ATOM 192 2HE2 GLN A 12 1.154 -2.962 -4.028 1.00 0.00 H HETATM 193 N AIB A 13 4.793 1.392 0.148 1.00 0.00 N HETATM 194 CA AIB A 13 5.580 2.508 0.763 1.00 0.00 C HETATM 195 C AIB A 13 7.080 1.999 1.013 1.00 0.00 C HETATM 196 O1 AIB A 13 8.004 2.541 0.386 1.00 0.00 O HETATM 197 CB1 AIB A 13 4.798 2.908 2.059 1.00 0.00 C HETATM 198 CB2 AIB A 13 5.540 3.820 -0.075 1.00 0.00 C HETATM 199 2HN AIB A 13 4.502 0.608 0.745 1.00 0.00 H HETATM 200 1HB1 AIB A 13 4.381 2.055 2.622 1.00 0.00 H HETATM 201 2HB1 AIB A 13 5.427 3.484 2.766 1.00 0.00 H HETATM 202 3HB1 AIB A 13 3.908 3.535 1.850 1.00 0.00 H HETATM 203 1HB2 AIB A 13 4.505 4.085 -0.372 1.00 0.00 H HETATM 204 2HB2 AIB A 13 5.966 4.676 0.470 1.00 0.00 H HETATM 205 3HB2 AIB A 13 6.127 3.721 -1.003 1.00 0.00 H HETATM 206 N HYP A 14 7.417 0.945 1.833 1.00 0.00 N HETATM 207 CA HYP A 14 8.808 0.462 2.025 1.00 0.00 C HETATM 208 C HYP A 14 9.538 -0.190 0.809 1.00 0.00 C HETATM 209 O HYP A 14 10.744 0.038 0.692 1.00 0.00 O HETATM 210 CB HYP A 14 8.724 -0.503 3.226 1.00 0.00 C HETATM 211 CG HYP A 14 7.252 -0.855 3.440 1.00 0.00 C HETATM 212 CD HYP A 14 6.458 0.144 2.601 1.00 0.00 C HETATM 213 OD HYP A 14 6.905 -0.750 4.815 1.00 0.00 O HETATM 214 HA HYP A 14 9.423 1.329 2.346 1.00 0.00 H HETATM 215 1HB HYP A 14 9.316 -1.424 3.071 1.00 0.00 H HETATM 216 2HB HYP A 14 9.146 -0.018 4.129 1.00 0.00 H HETATM 217 1HD HYP A 14 5.780 -0.384 1.922 1.00 0.00 H HETATM 218 2HD HYP A 14 5.834 0.773 3.238 1.00 0.00 H HETATM 219 HOD HYP A 14 7.108 0.155 5.067 1.00 0.00 H HETATM 220 HG HYP A 14 7.048 -1.883 3.097 1.00 0.00 H HETATM 221 N AIB A 15 8.870 -1.006 -0.054 1.00 0.00 N HETATM 222 CA AIB A 15 9.505 -1.655 -1.246 1.00 0.00 C HETATM 223 C AIB A 15 10.136 -0.611 -2.269 1.00 0.00 C HETATM 224 O1 AIB A 15 11.303 -0.801 -2.636 1.00 0.00 O HETATM 225 CB1 AIB A 15 8.434 -2.524 -1.954 1.00 0.00 C HETATM 226 CB2 AIB A 15 10.574 -2.675 -0.738 1.00 0.00 C HETATM 227 2HN AIB A 15 7.846 -0.945 -0.005 1.00 0.00 H HETATM 228 1HB1 AIB A 15 7.545 -1.954 -2.270 1.00 0.00 H HETATM 229 2HB1 AIB A 15 8.838 -3.006 -2.866 1.00 0.00 H HETATM 230 3HB1 AIB A 15 8.054 -3.335 -1.304 1.00 0.00 H HETATM 231 1HB2 AIB A 15 10.176 -3.365 0.030 1.00 0.00 H HETATM 232 2HB2 AIB A 15 10.981 -3.293 -1.560 1.00 0.00 H HETATM 233 3HB2 AIB A 15 11.440 -2.162 -0.280 1.00 0.00 H ATOM 234 N PRO A 16 9.502 0.525 -2.720 1.00 0.00 N ATOM 235 CA PRO A 16 10.236 1.661 -3.334 1.00 0.00 C ATOM 236 C PRO A 16 11.154 2.510 -2.410 1.00 0.00 C ATOM 237 O PRO A 16 12.118 3.086 -2.922 1.00 0.00 O ATOM 238 CB PRO A 16 9.126 2.488 -4.007 1.00 0.00 C ATOM 239 CG PRO A 16 7.858 2.188 -3.213 1.00 0.00 C ATOM 240 CD PRO A 16 8.077 0.838 -2.519 1.00 0.00 C ATOM 241 HA PRO A 16 10.895 1.260 -4.106 1.00 0.00 H ATOM 242 1HB PRO A 16 9.345 3.574 -4.032 1.00 0.00 H ATOM 243 2HB PRO A 16 8.997 2.177 -5.060 1.00 0.00 H ATOM 244 1HG PRO A 16 7.706 2.975 -2.455 1.00 0.00 H ATOM 245 2HG PRO A 16 6.963 2.194 -3.861 1.00 0.00 H ATOM 246 1HD PRO A 16 7.829 0.929 -1.452 1.00 0.00 H ATOM 247 2HD PRO A 16 7.423 0.042 -2.905 1.00 0.00 H HETATM 248 N PHL A 17 10.852 2.615 -1.100 1.00 0.00 N HETATM 249 CA PHL A 17 11.543 3.575 -0.199 1.00 0.00 C HETATM 250 C PHL A 17 12.051 2.857 1.066 1.00 0.00 C HETATM 251 O PHL A 17 12.900 3.700 1.829 1.00 0.00 O HETATM 252 CB PHL A 17 10.576 4.741 0.144 1.00 0.00 C HETATM 253 CG PHL A 17 10.056 5.585 -1.046 1.00 0.00 C HETATM 254 CD1 PHL A 17 10.946 6.248 -1.899 1.00 0.00 C HETATM 255 CD2 PHL A 17 8.686 5.632 -1.314 1.00 0.00 C HETATM 256 CE1 PHL A 17 10.467 6.943 -3.008 1.00 0.00 C HETATM 257 CE2 PHL A 17 8.207 6.328 -2.421 1.00 0.00 C HETATM 258 CZ PHL A 17 9.099 6.984 -3.266 1.00 0.00 C HETATM 259 H1 PHL A 17 12.612 1.939 0.809 1.00 0.00 H HETATM 260 H2 PHL A 17 11.204 2.537 1.701 1.00 0.00 H HETATM 261 HO PHL A 17 13.632 3.938 1.251 1.00 0.00 H HETATM 262 HA PHL A 17 12.436 4.010 -0.692 1.00 0.00 H HETATM 263 2HN PHL A 17 9.973 2.143 -0.840 1.00 0.00 H HETATM 264 1HB PHL A 17 9.726 4.312 0.709 1.00 0.00 H HETATM 265 2HB PHL A 17 11.078 5.426 0.852 1.00 0.00 H HETATM 266 HD1 PHL A 17 12.010 6.186 -1.729 1.00 0.00 H HETATM 267 HD2 PHL A 17 7.989 5.105 -0.681 1.00 0.00 H HETATM 268 HE1 PHL A 17 11.156 7.435 -3.677 1.00 0.00 H HETATM 269 HE2 PHL A 17 7.148 6.345 -2.629 1.00 0.00 H HETATM 270 HZ PHL A 17 8.727 7.524 -4.123 1.00 0.00 H TER 271 PHL A 17 ENDMDL MODEL 16 HETATM 1 C ACE A 1 -11.637 -1.672 -0.937 1.00 0.00 C HETATM 2 O ACE A 1 -10.536 -1.734 -1.490 1.00 0.00 O HETATM 3 CH3 ACE A 1 -12.634 -2.819 -1.083 1.00 0.00 C HETATM 4 1H ACE A 1 -13.661 -2.459 -1.282 1.00 0.00 H HETATM 5 2H ACE A 1 -12.352 -3.482 -1.922 1.00 0.00 H HETATM 6 3H ACE A 1 -12.658 -3.441 -0.169 1.00 0.00 H ATOM 7 N TRP A 2 -12.032 -0.640 -0.175 1.00 0.00 N ATOM 8 CA TRP A 2 -11.167 0.552 0.095 1.00 0.00 C ATOM 9 C TRP A 2 -10.014 0.273 1.108 1.00 0.00 C ATOM 10 O TRP A 2 -8.876 0.680 0.864 1.00 0.00 O ATOM 11 CB TRP A 2 -11.963 1.805 0.567 1.00 0.00 C ATOM 12 CG TRP A 2 -13.262 2.188 -0.159 1.00 0.00 C ATOM 13 CD1 TRP A 2 -13.548 2.079 -1.540 1.00 0.00 C ATOM 14 CD2 TRP A 2 -14.418 2.682 0.418 1.00 0.00 C ATOM 15 NE1 TRP A 2 -14.866 2.469 -1.831 1.00 0.00 N ATOM 16 CE2 TRP A 2 -15.387 2.843 -0.603 1.00 0.00 C ATOM 17 CE3 TRP A 2 -14.727 3.015 1.764 1.00 0.00 C ATOM 18 CZ2 TRP A 2 -16.677 3.335 -0.285 1.00 0.00 C ATOM 19 CZ3 TRP A 2 -16.002 3.504 2.050 1.00 0.00 C ATOM 20 CH2 TRP A 2 -16.961 3.661 1.045 1.00 0.00 C ATOM 21 H TRP A 2 -12.979 -0.722 0.212 1.00 0.00 H ATOM 22 HA TRP A 2 -10.694 0.839 -0.866 1.00 0.00 H ATOM 23 1HB TRP A 2 -12.193 1.692 1.644 1.00 0.00 H ATOM 24 2HB TRP A 2 -11.292 2.684 0.525 1.00 0.00 H ATOM 25 HD1 TRP A 2 -12.853 1.703 -2.278 1.00 0.00 H ATOM 26 HE1 TRP A 2 -15.344 2.453 -2.740 1.00 0.00 H ATOM 27 HE3 TRP A 2 -13.997 2.905 2.552 1.00 0.00 H ATOM 28 HZ2 TRP A 2 -17.427 3.459 -1.051 1.00 0.00 H ATOM 29 HZ3 TRP A 2 -16.248 3.769 3.069 1.00 0.00 H ATOM 30 HH2 TRP A 2 -17.937 4.047 1.298 1.00 0.00 H ATOM 31 N ILE A 3 -10.310 -0.414 2.236 1.00 0.00 N ATOM 32 CA ILE A 3 -9.281 -0.864 3.217 1.00 0.00 C ATOM 33 C ILE A 3 -8.373 -2.004 2.645 1.00 0.00 C ATOM 34 O ILE A 3 -7.160 -1.930 2.847 1.00 0.00 O ATOM 35 CB ILE A 3 -9.889 -1.188 4.639 1.00 0.00 C ATOM 36 CG1 ILE A 3 -10.849 -0.106 5.243 1.00 0.00 C ATOM 37 CG2 ILE A 3 -8.778 -1.464 5.689 1.00 0.00 C ATOM 38 CD1 ILE A 3 -12.328 -0.215 4.831 1.00 0.00 C ATOM 39 H ILE A 3 -11.295 -0.692 2.321 1.00 0.00 H ATOM 40 HA ILE A 3 -8.599 -0.003 3.337 1.00 0.00 H ATOM 41 HB ILE A 3 -10.460 -2.134 4.556 1.00 0.00 H ATOM 42 1HG1 ILE A 3 -10.849 -0.152 6.348 1.00 0.00 H ATOM 43 2HG1 ILE A 3 -10.474 0.908 5.010 1.00 0.00 H ATOM 44 1HG2 ILE A 3 -8.127 -0.583 5.847 1.00 0.00 H ATOM 45 2HG2 ILE A 3 -9.198 -1.743 6.674 1.00 0.00 H ATOM 46 3HG2 ILE A 3 -8.123 -2.305 5.393 1.00 0.00 H ATOM 47 1HD1 ILE A 3 -12.749 -1.207 5.077 1.00 0.00 H ATOM 48 2HD1 ILE A 3 -12.940 0.534 5.366 1.00 0.00 H ATOM 49 3HD1 ILE A 3 -12.486 -0.043 3.753 1.00 0.00 H ATOM 50 N GLN A 4 -8.916 -2.999 1.907 1.00 0.00 N ATOM 51 CA GLN A 4 -8.110 -3.936 1.070 1.00 0.00 C ATOM 52 C GLN A 4 -7.128 -3.274 0.058 1.00 0.00 C ATOM 53 O GLN A 4 -5.988 -3.733 -0.022 1.00 0.00 O ATOM 54 CB GLN A 4 -9.062 -4.923 0.332 1.00 0.00 C ATOM 55 CG GLN A 4 -9.582 -6.108 1.187 1.00 0.00 C ATOM 56 CD GLN A 4 -8.860 -7.440 0.896 1.00 0.00 C ATOM 57 OE1 GLN A 4 -7.719 -7.655 1.306 1.00 0.00 O ATOM 58 NE2 GLN A 4 -9.496 -8.350 0.171 1.00 0.00 N ATOM 59 H GLN A 4 -9.933 -2.932 1.791 1.00 0.00 H ATOM 60 HA GLN A 4 -7.475 -4.529 1.758 1.00 0.00 H ATOM 61 1HB GLN A 4 -9.927 -4.371 -0.085 1.00 0.00 H ATOM 62 2HB GLN A 4 -8.570 -5.328 -0.574 1.00 0.00 H ATOM 63 1HG GLN A 4 -9.489 -5.887 2.268 1.00 0.00 H ATOM 64 2HG GLN A 4 -10.674 -6.216 1.027 1.00 0.00 H ATOM 65 1HE2 GLN A 4 -8.981 -9.211 -0.045 1.00 0.00 H ATOM 66 2HE2 GLN A 4 -10.448 -8.113 -0.132 1.00 0.00 H HETATM 67 N DIV A 5 -7.544 -2.218 -0.688 1.00 0.00 N HETATM 68 CA DIV A 5 -6.682 -1.426 -1.613 1.00 0.00 C HETATM 69 CB1 DIV A 5 -6.222 -2.356 -2.785 1.00 0.00 C HETATM 70 CG1 DIV A 5 -7.250 -2.905 -3.796 1.00 0.00 C HETATM 71 CB2 DIV A 5 -7.565 -0.278 -2.192 1.00 0.00 C HETATM 72 C DIV A 5 -5.460 -0.749 -0.863 1.00 0.00 C HETATM 73 O DIV A 5 -4.305 -0.911 -1.267 1.00 0.00 O HETATM 74 2HN DIV A 5 -8.472 -1.863 -0.469 1.00 0.00 H HETATM 75 1HB1 DIV A 5 -5.466 -1.796 -3.323 1.00 0.00 H HETATM 76 2HB1 DIV A 5 -5.665 -3.221 -2.389 1.00 0.00 H HETATM 77 1HG1 DIV A 5 -7.732 -2.096 -4.375 1.00 0.00 H HETATM 78 2HG1 DIV A 5 -6.762 -3.574 -4.527 1.00 0.00 H HETATM 79 3HG1 DIV A 5 -8.050 -3.482 -3.294 1.00 0.00 H HETATM 80 1HB2 DIV A 5 -7.954 0.398 -1.411 1.00 0.00 H HETATM 81 2HB2 DIV A 5 -7.006 0.360 -2.903 1.00 0.00 H HETATM 82 3HB2 DIV A 5 -8.455 -0.649 -2.734 1.00 0.00 H ATOM 83 N ILE A 6 -5.710 -0.029 0.255 1.00 0.00 N ATOM 84 CA ILE A 6 -4.642 0.526 1.149 1.00 0.00 C ATOM 85 C ILE A 6 -3.753 -0.586 1.829 1.00 0.00 C ATOM 86 O ILE A 6 -2.593 -0.306 2.130 1.00 0.00 O ATOM 87 CB ILE A 6 -5.259 1.558 2.172 1.00 0.00 C ATOM 88 CG1 ILE A 6 -6.086 2.715 1.514 1.00 0.00 C ATOM 89 CG2 ILE A 6 -4.181 2.206 3.085 1.00 0.00 C ATOM 90 CD1 ILE A 6 -7.104 3.405 2.439 1.00 0.00 C ATOM 91 H ILE A 6 -6.699 -0.003 0.525 1.00 0.00 H ATOM 92 HA ILE A 6 -3.957 1.106 0.500 1.00 0.00 H ATOM 93 HB ILE A 6 -5.944 0.987 2.829 1.00 0.00 H ATOM 94 1HG1 ILE A 6 -5.408 3.473 1.076 1.00 0.00 H ATOM 95 2HG1 ILE A 6 -6.664 2.342 0.650 1.00 0.00 H ATOM 96 1HG2 ILE A 6 -3.394 2.711 2.494 1.00 0.00 H ATOM 97 2HG2 ILE A 6 -4.600 2.959 3.777 1.00 0.00 H ATOM 98 3HG2 ILE A 6 -3.678 1.460 3.725 1.00 0.00 H ATOM 99 1HD1 ILE A 6 -6.630 3.866 3.324 1.00 0.00 H ATOM 100 2HD1 ILE A 6 -7.638 4.212 1.906 1.00 0.00 H ATOM 101 3HD1 ILE A 6 -7.868 2.694 2.804 1.00 0.00 H ATOM 102 N THR A 7 -4.264 -1.818 2.044 1.00 0.00 N ATOM 103 CA THR A 7 -3.474 -2.983 2.533 1.00 0.00 C ATOM 104 C THR A 7 -2.503 -3.570 1.468 1.00 0.00 C ATOM 105 O THR A 7 -1.335 -3.760 1.808 1.00 0.00 O ATOM 106 CB THR A 7 -4.430 -4.025 3.185 1.00 0.00 C ATOM 107 OG1 THR A 7 -5.136 -3.412 4.260 1.00 0.00 O ATOM 108 CG2 THR A 7 -3.753 -5.281 3.764 1.00 0.00 C ATOM 109 H THR A 7 -5.221 -1.938 1.693 1.00 0.00 H ATOM 110 HA THR A 7 -2.825 -2.615 3.341 1.00 0.00 H ATOM 111 HB THR A 7 -5.167 -4.359 2.433 1.00 0.00 H ATOM 112 HG1 THR A 7 -5.446 -2.568 3.919 1.00 0.00 H ATOM 113 1HG2 THR A 7 -4.491 -5.938 4.260 1.00 0.00 H ATOM 114 2HG2 THR A 7 -3.267 -5.886 2.975 1.00 0.00 H ATOM 115 3HG2 THR A 7 -2.978 -5.027 4.512 1.00 0.00 H HETATM 116 N AIB A 8 -2.934 -3.829 0.210 1.00 0.00 N HETATM 117 CA AIB A 8 -2.007 -4.122 -0.943 1.00 0.00 C HETATM 118 C AIB A 8 -0.880 -3.033 -1.174 1.00 0.00 C HETATM 119 O1 AIB A 8 0.281 -3.347 -1.460 1.00 0.00 O HETATM 120 CB1 AIB A 8 -2.890 -4.169 -2.219 1.00 0.00 C HETATM 121 CB2 AIB A 8 -1.398 -5.543 -0.774 1.00 0.00 C HETATM 122 2HN AIB A 8 -3.908 -3.534 0.053 1.00 0.00 H HETATM 123 1HB1 AIB A 8 -3.371 -3.195 -2.428 1.00 0.00 H HETATM 124 2HB1 AIB A 8 -2.300 -4.422 -3.122 1.00 0.00 H HETATM 125 3HB1 AIB A 8 -3.702 -4.919 -2.150 1.00 0.00 H HETATM 126 1HB2 AIB A 8 -2.173 -6.323 -0.643 1.00 0.00 H HETATM 127 2HB2 AIB A 8 -0.787 -5.840 -1.647 1.00 0.00 H HETATM 128 3HB2 AIB A 8 -0.730 -5.604 0.105 1.00 0.00 H ATOM 129 N LEU A 9 -1.245 -1.742 -1.039 1.00 0.00 N ATOM 130 CA LEU A 9 -0.307 -0.591 -1.128 1.00 0.00 C ATOM 131 C LEU A 9 0.537 -0.283 0.156 1.00 0.00 C ATOM 132 O LEU A 9 1.502 0.476 0.033 1.00 0.00 O ATOM 133 CB LEU A 9 -1.136 0.638 -1.602 1.00 0.00 C ATOM 134 CG LEU A 9 -1.579 0.616 -3.098 1.00 0.00 C ATOM 135 CD1 LEU A 9 -2.837 1.472 -3.347 1.00 0.00 C ATOM 136 CD2 LEU A 9 -0.437 1.040 -4.045 1.00 0.00 C ATOM 137 H LEU A 9 -2.219 -1.602 -0.756 1.00 0.00 H ATOM 138 HA LEU A 9 0.433 -0.794 -1.922 1.00 0.00 H ATOM 139 1HB LEU A 9 -2.017 0.746 -0.941 1.00 0.00 H ATOM 140 2HB LEU A 9 -0.555 1.560 -1.424 1.00 0.00 H ATOM 141 HG LEU A 9 -1.864 -0.418 -3.368 1.00 0.00 H ATOM 142 1HD1 LEU A 9 -2.674 2.539 -3.104 1.00 0.00 H ATOM 143 2HD1 LEU A 9 -3.166 1.416 -4.403 1.00 0.00 H ATOM 144 3HD1 LEU A 9 -3.695 1.127 -2.740 1.00 0.00 H ATOM 145 1HD2 LEU A 9 0.462 0.411 -3.910 1.00 0.00 H ATOM 146 2HD2 LEU A 9 -0.729 0.950 -5.109 1.00 0.00 H ATOM 147 3HD2 LEU A 9 -0.127 2.088 -3.873 1.00 0.00 H HETATM 148 N AIB A 10 0.223 -0.852 1.352 1.00 0.00 N HETATM 149 CA AIB A 10 1.027 -0.716 2.609 1.00 0.00 C HETATM 150 C AIB A 10 2.510 -1.264 2.443 1.00 0.00 C HETATM 151 O1 AIB A 10 3.429 -0.480 2.708 1.00 0.00 O HETATM 152 CB1 AIB A 10 0.275 -1.487 3.732 1.00 0.00 C HETATM 153 CB2 AIB A 10 0.984 0.779 3.070 1.00 0.00 C HETATM 154 2HN AIB A 10 -0.541 -1.537 1.292 1.00 0.00 H HETATM 155 1HB1 AIB A 10 0.089 -2.546 3.490 1.00 0.00 H HETATM 156 2HB1 AIB A 10 0.832 -1.489 4.688 1.00 0.00 H HETATM 157 3HB1 AIB A 10 -0.721 -1.058 3.955 1.00 0.00 H HETATM 158 1HB2 AIB A 10 -0.047 1.173 3.144 1.00 0.00 H HETATM 159 2HB2 AIB A 10 1.460 0.934 4.057 1.00 0.00 H HETATM 160 3HB2 AIB A 10 1.521 1.442 2.367 1.00 0.00 H HETATM 161 N HYP A 11 2.845 -2.512 1.965 1.00 0.00 N HETATM 162 CA HYP A 11 4.223 -2.868 1.523 1.00 0.00 C HETATM 163 C HYP A 11 4.786 -2.158 0.247 1.00 0.00 C HETATM 164 O HYP A 11 5.984 -2.310 -0.010 1.00 0.00 O HETATM 165 CB HYP A 11 4.156 -4.401 1.372 1.00 0.00 C HETATM 166 CG HYP A 11 2.696 -4.711 1.052 1.00 0.00 C HETATM 167 CD HYP A 11 1.919 -3.649 1.830 1.00 0.00 C HETATM 168 OD HYP A 11 2.334 -6.017 1.486 1.00 0.00 O HETATM 169 HA HYP A 11 4.923 -2.649 2.353 1.00 0.00 H HETATM 170 1HB HYP A 11 4.848 -4.800 0.612 1.00 0.00 H HETATM 171 2HB HYP A 11 4.437 -4.886 2.324 1.00 0.00 H HETATM 172 1HD HYP A 11 0.997 -3.383 1.289 1.00 0.00 H HETATM 173 2HD HYP A 11 1.639 -4.029 2.830 1.00 0.00 H HETATM 174 HOD HYP A 11 1.430 -5.951 1.804 1.00 0.00 H HETATM 175 HG HYP A 11 2.514 -4.607 -0.038 1.00 0.00 H ATOM 176 N GLN A 12 3.995 -1.340 -0.491 1.00 0.00 N ATOM 177 CA GLN A 12 4.514 -0.420 -1.535 1.00 0.00 C ATOM 178 C GLN A 12 4.773 1.051 -1.071 1.00 0.00 C ATOM 179 O GLN A 12 5.032 1.889 -1.935 1.00 0.00 O ATOM 180 CB GLN A 12 3.569 -0.427 -2.775 1.00 0.00 C ATOM 181 CG GLN A 12 3.271 -1.809 -3.388 1.00 0.00 C ATOM 182 CD GLN A 12 2.552 -1.738 -4.750 1.00 0.00 C ATOM 183 OE1 GLN A 12 3.048 -1.155 -5.712 1.00 0.00 O ATOM 184 NE2 GLN A 12 1.386 -2.342 -4.872 1.00 0.00 N ATOM 185 H GLN A 12 3.048 -1.180 -0.136 1.00 0.00 H ATOM 186 HA GLN A 12 5.506 -0.778 -1.853 1.00 0.00 H ATOM 187 1HB GLN A 12 2.608 0.062 -2.524 1.00 0.00 H ATOM 188 2HB GLN A 12 4.023 0.215 -3.551 1.00 0.00 H ATOM 189 1HG GLN A 12 4.219 -2.373 -3.497 1.00 0.00 H ATOM 190 2HG GLN A 12 2.679 -2.371 -2.634 1.00 0.00 H ATOM 191 1HE2 GLN A 12 0.967 -2.295 -5.810 1.00 0.00 H ATOM 192 2HE2 GLN A 12 1.039 -2.852 -4.052 1.00 0.00 H HETATM 193 N AIB A 13 4.785 1.356 0.250 1.00 0.00 N HETATM 194 CA AIB A 13 5.568 2.454 0.897 1.00 0.00 C HETATM 195 C AIB A 13 7.082 1.953 1.066 1.00 0.00 C HETATM 196 O1 AIB A 13 7.975 2.540 0.429 1.00 0.00 O HETATM 197 CB1 AIB A 13 4.836 2.784 2.239 1.00 0.00 C HETATM 198 CB2 AIB A 13 5.475 3.805 0.129 1.00 0.00 C HETATM 199 2HN AIB A 13 4.490 0.556 0.825 1.00 0.00 H HETATM 200 1HB1 AIB A 13 4.462 1.900 2.782 1.00 0.00 H HETATM 201 2HB1 AIB A 13 5.480 3.347 2.940 1.00 0.00 H HETATM 202 3HB1 AIB A 13 3.920 3.391 2.096 1.00 0.00 H HETATM 203 1HB2 AIB A 13 4.425 4.066 -0.108 1.00 0.00 H HETATM 204 2HB2 AIB A 13 5.910 4.637 0.705 1.00 0.00 H HETATM 205 3HB2 AIB A 13 6.019 3.767 -0.828 1.00 0.00 H HETATM 206 N HYP A 14 7.470 0.868 1.822 1.00 0.00 N HETATM 207 CA HYP A 14 8.878 0.408 1.941 1.00 0.00 C HETATM 208 C HYP A 14 9.569 -0.178 0.675 1.00 0.00 C HETATM 209 O HYP A 14 10.765 0.066 0.513 1.00 0.00 O HETATM 210 CB HYP A 14 8.861 -0.603 3.104 1.00 0.00 C HETATM 211 CG HYP A 14 7.404 -1.000 3.361 1.00 0.00 C HETATM 212 CD HYP A 14 6.553 0.009 2.587 1.00 0.00 C HETATM 213 OD HYP A 14 7.114 -0.951 4.753 1.00 0.00 O HETATM 214 HA HYP A 14 9.480 1.271 2.277 1.00 0.00 H HETATM 215 1HB HYP A 14 9.468 -1.503 2.896 1.00 0.00 H HETATM 216 2HB HYP A 14 9.301 -0.137 4.008 1.00 0.00 H HETATM 217 1HD HYP A 14 5.873 -0.513 1.908 1.00 0.00 H HETATM 218 2HD HYP A 14 5.928 0.587 3.267 1.00 0.00 H HETATM 219 HOD HYP A 14 7.323 -0.055 5.025 1.00 0.00 H HETATM 220 HG HYP A 14 7.208 -2.023 2.990 1.00 0.00 H HETATM 221 N AIB A 15 8.875 -0.959 -0.198 1.00 0.00 N HETATM 222 CA AIB A 15 9.472 -1.547 -1.443 1.00 0.00 C HETATM 223 C AIB A 15 10.077 -0.460 -2.434 1.00 0.00 C HETATM 224 O1 AIB A 15 11.240 -0.625 -2.830 1.00 0.00 O HETATM 225 CB1 AIB A 15 8.380 -2.388 -2.151 1.00 0.00 C HETATM 226 CB2 AIB A 15 10.556 -2.581 -1.010 1.00 0.00 C HETATM 227 2HN AIB A 15 7.855 -0.934 -0.084 1.00 0.00 H HETATM 228 1HB1 AIB A 15 7.481 -1.813 -2.412 1.00 0.00 H HETATM 229 2HB1 AIB A 15 8.752 -2.821 -3.098 1.00 0.00 H HETATM 230 3HB1 AIB A 15 8.022 -3.226 -1.524 1.00 0.00 H HETATM 231 1HB2 AIB A 15 10.179 -3.309 -0.269 1.00 0.00 H HETATM 232 2HB2 AIB A 15 10.947 -3.142 -1.879 1.00 0.00 H HETATM 233 3HB2 AIB A 15 11.432 -2.087 -0.548 1.00 0.00 H ATOM 234 N PRO A 16 9.425 0.684 -2.822 1.00 0.00 N ATOM 235 CA PRO A 16 10.136 1.853 -3.398 1.00 0.00 C ATOM 236 C PRO A 16 11.059 2.681 -2.455 1.00 0.00 C ATOM 237 O PRO A 16 12.010 3.293 -2.955 1.00 0.00 O ATOM 238 CB PRO A 16 9.001 2.681 -4.029 1.00 0.00 C ATOM 239 CG PRO A 16 7.730 2.308 -3.269 1.00 0.00 C ATOM 240 CD PRO A 16 8.006 0.973 -2.570 1.00 0.00 C ATOM 241 HA PRO A 16 10.792 1.496 -4.198 1.00 0.00 H ATOM 242 1HB PRO A 16 9.183 3.772 -4.003 1.00 0.00 H ATOM 243 2HB PRO A 16 8.886 2.419 -5.098 1.00 0.00 H ATOM 244 1HG PRO A 16 7.498 3.084 -2.515 1.00 0.00 H ATOM 245 2HG PRO A 16 6.851 2.248 -3.939 1.00 0.00 H ATOM 246 1HD PRO A 16 7.801 1.071 -1.495 1.00 0.00 H ATOM 247 2HD PRO A 16 7.341 0.175 -2.921 1.00 0.00 H HETATM 248 N PHL A 17 10.776 2.732 -1.138 1.00 0.00 N HETATM 249 CA PHL A 17 11.462 3.671 -0.207 1.00 0.00 C HETATM 250 C PHL A 17 12.041 2.889 0.996 1.00 0.00 C HETATM 251 O PHL A 17 12.738 3.747 1.890 1.00 0.00 O HETATM 252 CB PHL A 17 10.478 4.797 0.204 1.00 0.00 C HETATM 253 CG PHL A 17 9.979 5.705 -0.945 1.00 0.00 C HETATM 254 CD1 PHL A 17 8.636 5.688 -1.335 1.00 0.00 C HETATM 255 CD2 PHL A 17 10.891 6.490 -1.665 1.00 0.00 C HETATM 256 CE1 PHL A 17 8.206 6.448 -2.420 1.00 0.00 C HETATM 257 CE2 PHL A 17 10.461 7.244 -2.754 1.00 0.00 C HETATM 258 CZ PHL A 17 9.118 7.228 -3.128 1.00 0.00 C HETATM 259 H1 PHL A 17 12.749 2.110 0.654 1.00 0.00 H HETATM 260 H2 PHL A 17 11.255 2.355 1.552 1.00 0.00 H HETATM 261 HO PHL A 17 13.441 3.207 2.267 1.00 0.00 H HETATM 262 HA PHL A 17 12.331 4.160 -0.688 1.00 0.00 H HETATM 263 2HN PHL A 17 9.906 2.232 -0.890 1.00 0.00 H HETATM 264 1HB PHL A 17 9.623 4.334 0.736 1.00 0.00 H HETATM 265 2HB PHL A 17 10.965 5.439 0.962 1.00 0.00 H HETATM 266 HD1 PHL A 17 7.933 5.042 -0.830 1.00 0.00 H HETATM 267 HD2 PHL A 17 11.944 6.460 -1.425 1.00 0.00 H HETATM 268 HE1 PHL A 17 7.169 6.414 -2.724 1.00 0.00 H HETATM 269 HE2 PHL A 17 11.178 7.815 -3.325 1.00 0.00 H HETATM 270 HZ PHL A 17 8.789 7.802 -3.986 1.00 0.00 H TER 271 PHL A 17 ENDMDL MODEL 17 HETATM 1 C ACE A 1 -11.586 -1.112 -1.134 1.00 0.00 C HETATM 2 O ACE A 1 -10.445 -1.407 -1.497 1.00 0.00 O HETATM 3 CH3 ACE A 1 -12.766 -2.001 -1.526 1.00 0.00 C HETATM 4 1H ACE A 1 -13.653 -1.411 -1.825 1.00 0.00 H HETATM 5 2H ACE A 1 -12.501 -2.650 -2.381 1.00 0.00 H HETATM 6 3H ACE A 1 -13.059 -2.662 -0.691 1.00 0.00 H ATOM 7 N TRP A 2 -11.872 -0.038 -0.380 1.00 0.00 N ATOM 8 CA TRP A 2 -10.827 0.916 0.100 1.00 0.00 C ATOM 9 C TRP A 2 -9.856 0.391 1.204 1.00 0.00 C ATOM 10 O TRP A 2 -8.698 0.819 1.210 1.00 0.00 O ATOM 11 CB TRP A 2 -11.483 2.263 0.531 1.00 0.00 C ATOM 12 CG TRP A 2 -11.461 3.347 -0.556 1.00 0.00 C ATOM 13 CD1 TRP A 2 -12.547 3.761 -1.355 1.00 0.00 C ATOM 14 CD2 TRP A 2 -10.393 4.143 -0.939 1.00 0.00 C ATOM 15 NE1 TRP A 2 -12.183 4.805 -2.228 1.00 0.00 N ATOM 16 CE2 TRP A 2 -10.845 5.029 -1.951 1.00 0.00 C ATOM 17 CE3 TRP A 2 -9.048 4.197 -0.487 1.00 0.00 C ATOM 18 CZ2 TRP A 2 -9.956 5.982 -2.507 1.00 0.00 C ATOM 19 CZ3 TRP A 2 -8.192 5.139 -1.055 1.00 0.00 C ATOM 20 CH2 TRP A 2 -8.639 6.019 -2.051 1.00 0.00 C ATOM 21 H TRP A 2 -12.862 0.064 -0.132 1.00 0.00 H ATOM 22 HA TRP A 2 -10.167 1.126 -0.765 1.00 0.00 H ATOM 23 1HB TRP A 2 -12.516 2.111 0.901 1.00 0.00 H ATOM 24 2HB TRP A 2 -10.967 2.689 1.414 1.00 0.00 H ATOM 25 HD1 TRP A 2 -13.543 3.345 -1.299 1.00 0.00 H ATOM 26 HE1 TRP A 2 -12.774 5.298 -2.906 1.00 0.00 H ATOM 27 HE3 TRP A 2 -8.692 3.529 0.285 1.00 0.00 H ATOM 28 HZ2 TRP A 2 -10.289 6.675 -3.267 1.00 0.00 H ATOM 29 HZ3 TRP A 2 -7.168 5.199 -0.722 1.00 0.00 H ATOM 30 HH2 TRP A 2 -7.951 6.741 -2.465 1.00 0.00 H ATOM 31 N ILE A 3 -10.293 -0.497 2.123 1.00 0.00 N ATOM 32 CA ILE A 3 -9.409 -1.076 3.179 1.00 0.00 C ATOM 33 C ILE A 3 -8.469 -2.187 2.612 1.00 0.00 C ATOM 34 O ILE A 3 -7.267 -2.116 2.873 1.00 0.00 O ATOM 35 CB ILE A 3 -10.161 -1.485 4.505 1.00 0.00 C ATOM 36 CG1 ILE A 3 -11.176 -0.436 5.068 1.00 0.00 C ATOM 37 CG2 ILE A 3 -9.157 -1.806 5.646 1.00 0.00 C ATOM 38 CD1 ILE A 3 -12.597 -0.498 4.480 1.00 0.00 C ATOM 39 H ILE A 3 -11.272 -0.786 2.019 1.00 0.00 H ATOM 40 HA ILE A 3 -8.718 -0.261 3.445 1.00 0.00 H ATOM 41 HB ILE A 3 -10.715 -2.424 4.311 1.00 0.00 H ATOM 42 1HG1 ILE A 3 -11.310 -0.560 6.160 1.00 0.00 H ATOM 43 2HG1 ILE A 3 -10.773 0.586 4.954 1.00 0.00 H ATOM 44 1HG2 ILE A 3 -8.549 -0.924 5.920 1.00 0.00 H ATOM 45 2HG2 ILE A 3 -9.672 -2.147 6.564 1.00 0.00 H ATOM 46 3HG2 ILE A 3 -8.456 -2.614 5.374 1.00 0.00 H ATOM 47 1HD1 ILE A 3 -13.047 -1.500 4.603 1.00 0.00 H ATOM 48 2HD1 ILE A 3 -13.265 0.221 4.991 1.00 0.00 H ATOM 49 3HD1 ILE A 3 -12.624 -0.249 3.404 1.00 0.00 H ATOM 50 N GLN A 4 -8.972 -3.151 1.809 1.00 0.00 N ATOM 51 CA GLN A 4 -8.112 -4.030 0.963 1.00 0.00 C ATOM 52 C GLN A 4 -7.094 -3.311 0.030 1.00 0.00 C ATOM 53 O GLN A 4 -5.954 -3.770 -0.057 1.00 0.00 O ATOM 54 CB GLN A 4 -8.960 -5.080 0.199 1.00 0.00 C ATOM 55 CG GLN A 4 -10.041 -4.591 -0.800 1.00 0.00 C ATOM 56 CD GLN A 4 -10.800 -5.736 -1.497 1.00 0.00 C ATOM 57 OE1 GLN A 4 -11.331 -6.643 -0.855 1.00 0.00 O ATOM 58 NE2 GLN A 4 -10.888 -5.713 -2.818 1.00 0.00 N ATOM 59 H GLN A 4 -9.976 -3.068 1.627 1.00 0.00 H ATOM 60 HA GLN A 4 -7.487 -4.615 1.668 1.00 0.00 H ATOM 61 1HB GLN A 4 -8.270 -5.763 -0.337 1.00 0.00 H ATOM 62 2HB GLN A 4 -9.444 -5.736 0.947 1.00 0.00 H ATOM 63 1HG GLN A 4 -10.776 -3.963 -0.266 1.00 0.00 H ATOM 64 2HG GLN A 4 -9.571 -3.924 -1.544 1.00 0.00 H ATOM 65 1HE2 GLN A 4 -11.394 -6.490 -3.256 1.00 0.00 H ATOM 66 2HE2 GLN A 4 -10.474 -4.902 -3.292 1.00 0.00 H HETATM 67 N DIV A 5 -7.494 -2.203 -0.637 1.00 0.00 N HETATM 68 CA DIV A 5 -6.624 -1.356 -1.506 1.00 0.00 C HETATM 69 CB1 DIV A 5 -6.155 -2.223 -2.721 1.00 0.00 C HETATM 70 CG1 DIV A 5 -7.164 -2.729 -3.777 1.00 0.00 C HETATM 71 CB2 DIV A 5 -7.485 -0.169 -2.036 1.00 0.00 C HETATM 72 C DIV A 5 -5.403 -0.737 -0.704 1.00 0.00 C HETATM 73 O DIV A 5 -4.243 -0.955 -1.064 1.00 0.00 O HETATM 74 2HN DIV A 5 -8.458 -1.941 -0.446 1.00 0.00 H HETATM 75 1HB1 DIV A 5 -5.380 -1.643 -3.212 1.00 0.00 H HETATM 76 2HB1 DIV A 5 -5.599 -3.108 -2.368 1.00 0.00 H HETATM 77 1HG1 DIV A 5 -7.643 -1.903 -4.328 1.00 0.00 H HETATM 78 2HG1 DIV A 5 -6.653 -3.359 -4.527 1.00 0.00 H HETATM 79 3HG1 DIV A 5 -7.965 -3.341 -3.321 1.00 0.00 H HETATM 80 1HB2 DIV A 5 -7.921 0.434 -1.221 1.00 0.00 H HETATM 81 2HB2 DIV A 5 -6.890 0.528 -2.656 1.00 0.00 H HETATM 82 3HB2 DIV A 5 -8.338 -0.491 -2.662 1.00 0.00 H ATOM 83 N ILE A 6 -5.652 -0.002 0.408 1.00 0.00 N ATOM 84 CA ILE A 6 -4.585 0.506 1.336 1.00 0.00 C ATOM 85 C ILE A 6 -3.757 -0.618 2.061 1.00 0.00 C ATOM 86 O ILE A 6 -2.620 -0.344 2.448 1.00 0.00 O ATOM 87 CB ILE A 6 -5.206 1.600 2.289 1.00 0.00 C ATOM 88 CG1 ILE A 6 -5.752 2.865 1.547 1.00 0.00 C ATOM 89 CG2 ILE A 6 -4.315 2.069 3.471 1.00 0.00 C ATOM 90 CD1 ILE A 6 -4.734 3.727 0.774 1.00 0.00 C ATOM 91 H ILE A 6 -6.648 0.110 0.624 1.00 0.00 H ATOM 92 HA ILE A 6 -3.841 1.029 0.706 1.00 0.00 H ATOM 93 HB ILE A 6 -6.084 1.132 2.774 1.00 0.00 H ATOM 94 1HG1 ILE A 6 -6.546 2.559 0.840 1.00 0.00 H ATOM 95 2HG1 ILE A 6 -6.278 3.516 2.271 1.00 0.00 H ATOM 96 1HG2 ILE A 6 -3.340 2.466 3.130 1.00 0.00 H ATOM 97 2HG2 ILE A 6 -4.803 2.866 4.067 1.00 0.00 H ATOM 98 3HG2 ILE A 6 -4.104 1.244 4.177 1.00 0.00 H ATOM 99 1HD1 ILE A 6 -4.249 3.164 -0.045 1.00 0.00 H ATOM 100 2HD1 ILE A 6 -5.227 4.602 0.314 1.00 0.00 H ATOM 101 3HD1 ILE A 6 -3.935 4.121 1.431 1.00 0.00 H ATOM 102 N THR A 7 -4.275 -1.858 2.202 1.00 0.00 N ATOM 103 CA THR A 7 -3.491 -3.042 2.652 1.00 0.00 C ATOM 104 C THR A 7 -2.499 -3.578 1.577 1.00 0.00 C ATOM 105 O THR A 7 -1.325 -3.731 1.915 1.00 0.00 O ATOM 106 CB THR A 7 -4.455 -4.104 3.259 1.00 0.00 C ATOM 107 OG1 THR A 7 -5.160 -3.530 4.356 1.00 0.00 O ATOM 108 CG2 THR A 7 -3.793 -5.393 3.778 1.00 0.00 C ATOM 109 H THR A 7 -5.233 -1.956 1.851 1.00 0.00 H ATOM 110 HA THR A 7 -2.851 -2.705 3.479 1.00 0.00 H ATOM 111 HB THR A 7 -5.195 -4.396 2.491 1.00 0.00 H ATOM 112 HG1 THR A 7 -5.462 -2.671 4.047 1.00 0.00 H ATOM 113 1HG2 THR A 7 -4.536 -6.047 4.272 1.00 0.00 H ATOM 114 2HG2 THR A 7 -3.343 -5.981 2.957 1.00 0.00 H ATOM 115 3HG2 THR A 7 -2.996 -5.184 4.515 1.00 0.00 H HETATM 116 N AIB A 8 -2.920 -3.834 0.314 1.00 0.00 N HETATM 117 CA AIB A 8 -1.984 -4.151 -0.827 1.00 0.00 C HETATM 118 C AIB A 8 -0.865 -3.054 -1.088 1.00 0.00 C HETATM 119 O1 AIB A 8 0.292 -3.364 -1.389 1.00 0.00 O HETATM 120 CB1 AIB A 8 -2.872 -4.237 -2.097 1.00 0.00 C HETATM 121 CB2 AIB A 8 -1.361 -5.564 -0.621 1.00 0.00 C HETATM 122 2HN AIB A 8 -3.875 -3.490 0.137 1.00 0.00 H HETATM 123 1HB1 AIB A 8 -3.348 -3.268 -2.338 1.00 0.00 H HETATM 124 2HB1 AIB A 8 -2.291 -4.524 -2.995 1.00 0.00 H HETATM 125 3HB1 AIB A 8 -3.691 -4.978 -2.002 1.00 0.00 H HETATM 126 1HB2 AIB A 8 -2.126 -6.351 -0.470 1.00 0.00 H HETATM 127 2HB2 AIB A 8 -0.745 -5.880 -1.484 1.00 0.00 H HETATM 128 3HB2 AIB A 8 -0.692 -5.596 0.258 1.00 0.00 H ATOM 129 N LEU A 9 -1.243 -1.767 -0.957 1.00 0.00 N ATOM 130 CA LEU A 9 -0.323 -0.605 -1.069 1.00 0.00 C ATOM 131 C LEU A 9 0.507 -0.263 0.216 1.00 0.00 C ATOM 132 O LEU A 9 1.470 0.499 0.086 1.00 0.00 O ATOM 133 CB LEU A 9 -1.170 0.598 -1.580 1.00 0.00 C ATOM 134 CG LEU A 9 -1.592 0.527 -3.082 1.00 0.00 C ATOM 135 CD1 LEU A 9 -2.875 1.327 -3.383 1.00 0.00 C ATOM 136 CD2 LEU A 9 -0.451 0.984 -4.015 1.00 0.00 C ATOM 137 H LEU A 9 -2.209 -1.646 -0.635 1.00 0.00 H ATOM 138 HA LEU A 9 0.426 -0.807 -1.856 1.00 0.00 H ATOM 139 1HB LEU A 9 -2.062 0.705 -0.935 1.00 0.00 H ATOM 140 2HB LEU A 9 -0.614 1.539 -1.416 1.00 0.00 H ATOM 141 HG LEU A 9 -1.828 -0.522 -3.334 1.00 0.00 H ATOM 142 1HD1 LEU A 9 -2.763 2.403 -3.153 1.00 0.00 H ATOM 143 2HD1 LEU A 9 -3.161 1.246 -4.450 1.00 0.00 H ATOM 144 3HD1 LEU A 9 -3.738 0.952 -2.803 1.00 0.00 H ATOM 145 1HD2 LEU A 9 0.474 0.402 -3.850 1.00 0.00 H ATOM 146 2HD2 LEU A 9 -0.718 0.862 -5.083 1.00 0.00 H ATOM 147 3HD2 LEU A 9 -0.196 2.048 -3.857 1.00 0.00 H HETATM 148 N AIB A 10 0.190 -0.812 1.424 1.00 0.00 N HETATM 149 CA AIB A 10 1.013 -0.681 2.675 1.00 0.00 C HETATM 150 C AIB A 10 2.495 -1.224 2.483 1.00 0.00 C HETATM 151 O1 AIB A 10 3.417 -0.438 2.716 1.00 0.00 O HETATM 152 CB1 AIB A 10 0.285 -1.453 3.815 1.00 0.00 C HETATM 153 CB2 AIB A 10 0.968 0.813 3.135 1.00 0.00 C HETATM 154 2HN AIB A 10 -0.576 -1.496 1.377 1.00 0.00 H HETATM 155 1HB1 AIB A 10 0.079 -2.508 3.567 1.00 0.00 H HETATM 156 2HB1 AIB A 10 0.870 -1.466 4.756 1.00 0.00 H HETATM 157 3HB1 AIB A 10 -0.698 -1.011 4.071 1.00 0.00 H HETATM 158 1HB2 AIB A 10 -0.067 1.195 3.230 1.00 0.00 H HETATM 159 2HB2 AIB A 10 1.460 0.971 4.114 1.00 0.00 H HETATM 160 3HB2 AIB A 10 1.483 1.485 2.424 1.00 0.00 H HETATM 161 N HYP A 11 2.825 -2.475 2.006 1.00 0.00 N HETATM 162 CA HYP A 11 4.198 -2.836 1.542 1.00 0.00 C HETATM 163 C HYP A 11 4.750 -2.138 0.252 1.00 0.00 C HETATM 164 O HYP A 11 5.949 -2.289 -0.013 1.00 0.00 O HETATM 165 CB HYP A 11 4.117 -4.369 1.401 1.00 0.00 C HETATM 166 CG HYP A 11 2.652 -4.670 1.090 1.00 0.00 C HETATM 167 CD HYP A 11 1.886 -3.604 1.877 1.00 0.00 C HETATM 168 OD HYP A 11 2.289 -5.979 1.512 1.00 0.00 O HETATM 169 HA HYP A 11 4.914 -2.618 2.356 1.00 0.00 H HETATM 170 1HB HYP A 11 4.798 -4.784 0.636 1.00 0.00 H HETATM 171 2HB HYP A 11 4.402 -4.849 2.357 1.00 0.00 H HETATM 172 1HD HYP A 11 0.972 -3.330 1.334 1.00 0.00 H HETATM 173 2HD HYP A 11 1.609 -3.978 2.882 1.00 0.00 H HETATM 174 HOD HYP A 11 1.441 -5.894 1.955 1.00 0.00 H HETATM 175 HG HYP A 11 2.461 -4.555 0.004 1.00 0.00 H ATOM 176 N GLN A 12 3.952 -1.337 -0.490 1.00 0.00 N ATOM 177 CA GLN A 12 4.464 -0.421 -1.546 1.00 0.00 C ATOM 178 C GLN A 12 4.718 1.054 -1.096 1.00 0.00 C ATOM 179 O GLN A 12 4.947 1.890 -1.973 1.00 0.00 O ATOM 180 CB GLN A 12 3.525 -0.456 -2.785 1.00 0.00 C ATOM 181 CG GLN A 12 3.229 -1.851 -3.372 1.00 0.00 C ATOM 182 CD GLN A 12 2.527 -1.791 -4.741 1.00 0.00 C ATOM 183 OE1 GLN A 12 3.054 -1.255 -5.715 1.00 0.00 O ATOM 184 NE2 GLN A 12 1.333 -2.344 -4.862 1.00 0.00 N ATOM 185 H GLN A 12 3.009 -1.178 -0.134 1.00 0.00 H ATOM 186 HA GLN A 12 5.459 -0.777 -1.857 1.00 0.00 H ATOM 187 1HB GLN A 12 2.569 0.044 -2.547 1.00 0.00 H ATOM 188 2HB GLN A 12 3.982 0.169 -3.573 1.00 0.00 H ATOM 189 1HG GLN A 12 4.176 -2.415 -3.467 1.00 0.00 H ATOM 190 2HG GLN A 12 2.625 -2.403 -2.618 1.00 0.00 H ATOM 191 1HE2 GLN A 12 0.911 -2.287 -5.794 1.00 0.00 H ATOM 192 2HE2 GLN A 12 0.948 -2.805 -4.029 1.00 0.00 H HETATM 193 N AIB A 13 4.743 1.367 0.222 1.00 0.00 N HETATM 194 CA AIB A 13 5.535 2.473 0.849 1.00 0.00 C HETATM 195 C AIB A 13 7.050 1.979 1.033 1.00 0.00 C HETATM 196 O1 AIB A 13 7.941 2.559 0.392 1.00 0.00 O HETATM 197 CB1 AIB A 13 4.795 2.823 2.180 1.00 0.00 C HETATM 198 CB2 AIB A 13 5.449 3.810 0.055 1.00 0.00 C HETATM 199 2HN AIB A 13 4.450 0.576 0.806 1.00 0.00 H HETATM 200 1HB1 AIB A 13 4.427 1.947 2.742 1.00 0.00 H HETATM 201 2HB1 AIB A 13 5.434 3.405 2.873 1.00 0.00 H HETATM 202 3HB1 AIB A 13 3.877 3.423 2.020 1.00 0.00 H HETATM 203 1HB2 AIB A 13 4.402 4.072 -0.195 1.00 0.00 H HETATM 204 2HB2 AIB A 13 5.887 4.653 0.612 1.00 0.00 H HETATM 205 3HB2 AIB A 13 5.998 3.749 -0.897 1.00 0.00 H HETATM 206 N HYP A 14 7.436 0.908 1.809 1.00 0.00 N HETATM 207 CA HYP A 14 8.841 0.448 1.936 1.00 0.00 C HETATM 208 C HYP A 14 9.535 -0.162 0.680 1.00 0.00 C HETATM 209 O HYP A 14 10.735 0.079 0.529 1.00 0.00 O HETATM 210 CB HYP A 14 8.819 -0.552 3.108 1.00 0.00 C HETATM 211 CG HYP A 14 7.363 -0.946 3.359 1.00 0.00 C HETATM 212 CD HYP A 14 6.519 0.055 2.574 1.00 0.00 C HETATM 213 OD HYP A 14 7.059 -0.889 4.748 1.00 0.00 O HETATM 214 HA HYP A 14 9.448 1.316 2.260 1.00 0.00 H HETATM 215 1HB HYP A 14 9.426 -1.455 2.908 1.00 0.00 H HETATM 216 2HB HYP A 14 9.258 -0.083 4.010 1.00 0.00 H HETATM 217 1HD HYP A 14 5.842 -0.473 1.894 1.00 0.00 H HETATM 218 2HD HYP A 14 5.890 0.638 3.247 1.00 0.00 H HETATM 219 HOD HYP A 14 7.238 0.015 5.018 1.00 0.00 H HETATM 220 HG HYP A 14 7.174 -1.973 2.995 1.00 0.00 H HETATM 221 N AIB A 15 8.844 -0.954 -0.186 1.00 0.00 N HETATM 222 CA AIB A 15 9.445 -1.557 -1.421 1.00 0.00 C HETATM 223 C AIB A 15 10.047 -0.474 -2.416 1.00 0.00 C HETATM 224 O1 AIB A 15 11.212 -0.635 -2.807 1.00 0.00 O HETATM 225 CB1 AIB A 15 8.356 -2.402 -2.130 1.00 0.00 C HETATM 226 CB2 AIB A 15 10.528 -2.590 -0.979 1.00 0.00 C HETATM 227 2HN AIB A 15 7.820 -0.920 -0.091 1.00 0.00 H HETATM 228 1HB1 AIB A 15 7.455 -1.825 -2.390 1.00 0.00 H HETATM 229 2HB1 AIB A 15 8.730 -2.838 -3.076 1.00 0.00 H HETATM 230 3HB1 AIB A 15 7.999 -3.241 -1.503 1.00 0.00 H HETATM 231 1HB2 AIB A 15 10.142 -3.318 -0.239 1.00 0.00 H HETATM 232 2HB2 AIB A 15 10.925 -3.157 -1.840 1.00 0.00 H HETATM 233 3HB2 AIB A 15 11.401 -2.096 -0.510 1.00 0.00 H ATOM 234 N PRO A 16 9.390 0.664 -2.816 1.00 0.00 N ATOM 235 CA PRO A 16 10.095 1.827 -3.414 1.00 0.00 C ATOM 236 C PRO A 16 11.009 2.674 -2.484 1.00 0.00 C ATOM 237 O PRO A 16 11.940 3.299 -3.003 1.00 0.00 O ATOM 238 CB PRO A 16 8.959 2.645 -4.052 1.00 0.00 C ATOM 239 CG PRO A 16 7.702 2.301 -3.256 1.00 0.00 C ATOM 240 CD PRO A 16 7.965 0.951 -2.577 1.00 0.00 C ATOM 241 HA PRO A 16 10.754 1.457 -4.204 1.00 0.00 H ATOM 242 1HB PRO A 16 9.153 3.735 -4.060 1.00 0.00 H ATOM 243 2HB PRO A 16 8.826 2.348 -5.110 1.00 0.00 H ATOM 244 1HG PRO A 16 7.524 3.079 -2.490 1.00 0.00 H ATOM 245 2HG PRO A 16 6.805 2.280 -3.901 1.00 0.00 H ATOM 246 1HD PRO A 16 7.743 1.029 -1.504 1.00 0.00 H ATOM 247 2HD PRO A 16 7.314 0.151 -2.955 1.00 0.00 H HETATM 248 N PHL A 17 10.743 2.728 -1.165 1.00 0.00 N HETATM 249 CA PHL A 17 11.434 3.680 -0.257 1.00 0.00 C HETATM 250 C PHL A 17 12.009 2.933 0.965 1.00 0.00 C HETATM 251 O PHL A 17 12.889 3.774 1.701 1.00 0.00 O HETATM 252 CB PHL A 17 10.456 4.814 0.148 1.00 0.00 C HETATM 253 CG PHL A 17 9.936 5.700 -1.007 1.00 0.00 C HETATM 254 CD1 PHL A 17 10.826 6.477 -1.761 1.00 0.00 C HETATM 255 CD2 PHL A 17 8.586 5.673 -1.362 1.00 0.00 C HETATM 256 CE1 PHL A 17 10.369 7.213 -2.849 1.00 0.00 C HETATM 257 CE2 PHL A 17 8.126 6.415 -2.449 1.00 0.00 C HETATM 258 CZ PHL A 17 9.018 7.186 -3.189 1.00 0.00 C HETATM 259 H1 PHL A 17 12.571 2.034 0.649 1.00 0.00 H HETATM 260 H2 PHL A 17 11.204 2.578 1.633 1.00 0.00 H HETATM 261 HO PHL A 17 13.550 4.079 1.075 1.00 0.00 H HETATM 262 HA PHL A 17 12.300 4.153 -0.760 1.00 0.00 H HETATM 263 2HN PHL A 17 9.880 2.224 -0.899 1.00 0.00 H HETATM 264 1HB PHL A 17 9.612 4.354 0.697 1.00 0.00 H HETATM 265 2HB PHL A 17 10.957 5.471 0.882 1.00 0.00 H HETATM 266 HD1 PHL A 17 11.882 6.468 -1.533 1.00 0.00 H HETATM 267 HD2 PHL A 17 7.893 5.046 -0.820 1.00 0.00 H HETATM 268 HE1 PHL A 17 11.067 7.789 -3.439 1.00 0.00 H HETATM 269 HE2 PHL A 17 7.082 6.379 -2.722 1.00 0.00 H HETATM 270 HZ PHL A 17 8.664 7.760 -4.033 1.00 0.00 H TER 271 PHL A 17 ENDMDL MODEL 18 HETATM 1 C ACE A 1 -11.713 -1.770 -0.689 1.00 0.00 C HETATM 2 O ACE A 1 -10.636 -1.812 -1.290 1.00 0.00 O HETATM 3 CH3 ACE A 1 -12.636 -2.988 -0.674 1.00 0.00 C HETATM 4 1H ACE A 1 -13.698 -2.709 -0.812 1.00 0.00 H HETATM 5 2H ACE A 1 -12.376 -3.700 -1.478 1.00 0.00 H HETATM 6 3H ACE A 1 -12.548 -3.540 0.280 1.00 0.00 H ATOM 7 N TRP A 2 -12.130 -0.704 0.014 1.00 0.00 N ATOM 8 CA TRP A 2 -11.272 0.503 0.245 1.00 0.00 C ATOM 9 C TRP A 2 -10.092 0.253 1.232 1.00 0.00 C ATOM 10 O TRP A 2 -8.963 0.659 0.937 1.00 0.00 O ATOM 11 CB TRP A 2 -12.101 1.732 0.710 1.00 0.00 C ATOM 12 CG TRP A 2 -13.118 2.279 -0.299 1.00 0.00 C ATOM 13 CD1 TRP A 2 -12.820 2.912 -1.526 1.00 0.00 C ATOM 14 CD2 TRP A 2 -14.494 2.340 -0.176 1.00 0.00 C ATOM 15 NE1 TRP A 2 -13.984 3.368 -2.175 1.00 0.00 N ATOM 16 CE2 TRP A 2 -15.010 3.011 -1.313 1.00 0.00 C ATOM 17 CE3 TRP A 2 -15.363 1.907 0.859 1.00 0.00 C ATOM 18 CZ2 TRP A 2 -16.398 3.273 -1.415 1.00 0.00 C ATOM 19 CZ3 TRP A 2 -16.728 2.169 0.732 1.00 0.00 C ATOM 20 CH2 TRP A 2 -17.237 2.842 -0.382 1.00 0.00 C ATOM 21 H TRP A 2 -13.048 -0.813 0.459 1.00 0.00 H ATOM 22 HA TRP A 2 -10.816 0.782 -0.726 1.00 0.00 H ATOM 23 1HB TRP A 2 -12.604 1.496 1.668 1.00 0.00 H ATOM 24 2HB TRP A 2 -11.419 2.565 0.965 1.00 0.00 H ATOM 25 HD1 TRP A 2 -11.822 3.052 -1.915 1.00 0.00 H ATOM 26 HE1 TRP A 2 -14.053 3.886 -3.058 1.00 0.00 H ATOM 27 HE3 TRP A 2 -14.984 1.396 1.731 1.00 0.00 H ATOM 28 HZ2 TRP A 2 -16.802 3.806 -2.262 1.00 0.00 H ATOM 29 HZ3 TRP A 2 -17.401 1.853 1.517 1.00 0.00 H ATOM 30 HH2 TRP A 2 -18.297 3.045 -0.443 1.00 0.00 H ATOM 31 N ILE A 3 -10.338 -0.441 2.367 1.00 0.00 N ATOM 32 CA ILE A 3 -9.249 -1.005 3.219 1.00 0.00 C ATOM 33 C ILE A 3 -8.346 -2.065 2.528 1.00 0.00 C ATOM 34 O ILE A 3 -7.138 -2.040 2.761 1.00 0.00 O ATOM 35 CB ILE A 3 -9.780 -1.441 4.636 1.00 0.00 C ATOM 36 CG1 ILE A 3 -8.674 -1.802 5.675 1.00 0.00 C ATOM 37 CG2 ILE A 3 -10.820 -2.593 4.601 1.00 0.00 C ATOM 38 CD1 ILE A 3 -7.699 -0.663 6.013 1.00 0.00 C ATOM 39 H ILE A 3 -11.312 -0.745 2.476 1.00 0.00 H ATOM 40 HA ILE A 3 -8.558 -0.156 3.365 1.00 0.00 H ATOM 41 HB ILE A 3 -10.317 -0.572 5.060 1.00 0.00 H ATOM 42 1HG1 ILE A 3 -9.140 -2.132 6.624 1.00 0.00 H ATOM 43 2HG1 ILE A 3 -8.095 -2.678 5.329 1.00 0.00 H ATOM 44 1HG2 ILE A 3 -10.390 -3.540 4.224 1.00 0.00 H ATOM 45 2HG2 ILE A 3 -11.233 -2.803 5.606 1.00 0.00 H ATOM 46 3HG2 ILE A 3 -11.682 -2.350 3.952 1.00 0.00 H ATOM 47 1HD1 ILE A 3 -8.232 0.229 6.392 1.00 0.00 H ATOM 48 2HD1 ILE A 3 -6.979 -0.975 6.792 1.00 0.00 H ATOM 49 3HD1 ILE A 3 -7.106 -0.353 5.132 1.00 0.00 H ATOM 50 N GLN A 4 -8.889 -2.953 1.677 1.00 0.00 N ATOM 51 CA GLN A 4 -8.078 -3.901 0.866 1.00 0.00 C ATOM 52 C GLN A 4 -7.105 -3.238 -0.156 1.00 0.00 C ATOM 53 O GLN A 4 -5.969 -3.699 -0.276 1.00 0.00 O ATOM 54 CB GLN A 4 -9.035 -4.914 0.182 1.00 0.00 C ATOM 55 CG GLN A 4 -8.481 -6.359 0.064 1.00 0.00 C ATOM 56 CD GLN A 4 -9.551 -7.449 0.286 1.00 0.00 C ATOM 57 OE1 GLN A 4 -10.099 -7.585 1.380 1.00 0.00 O ATOM 58 NE2 GLN A 4 -9.867 -8.249 -0.719 1.00 0.00 N ATOM 59 H GLN A 4 -9.900 -2.853 1.545 1.00 0.00 H ATOM 60 HA GLN A 4 -7.454 -4.456 1.595 1.00 0.00 H ATOM 61 1HB GLN A 4 -9.998 -4.957 0.735 1.00 0.00 H ATOM 62 2HB GLN A 4 -9.345 -4.557 -0.821 1.00 0.00 H ATOM 63 1HG GLN A 4 -7.955 -6.485 -0.902 1.00 0.00 H ATOM 64 2HG GLN A 4 -7.697 -6.540 0.826 1.00 0.00 H ATOM 65 1HE2 GLN A 4 -10.569 -8.970 -0.517 1.00 0.00 H ATOM 66 2HE2 GLN A 4 -9.358 -8.117 -1.602 1.00 0.00 H HETATM 67 N DIV A 5 -7.553 -2.165 -0.852 1.00 0.00 N HETATM 68 CA DIV A 5 -6.749 -1.308 -1.763 1.00 0.00 C HETATM 69 CB1 DIV A 5 -6.270 -2.165 -2.978 1.00 0.00 C HETATM 70 CG1 DIV A 5 -7.278 -2.671 -4.030 1.00 0.00 C HETATM 71 CB2 DIV A 5 -7.720 -0.193 -2.268 1.00 0.00 C HETATM 72 C DIV A 5 -5.545 -0.597 -1.016 1.00 0.00 C HETATM 73 O DIV A 5 -4.382 -0.743 -1.410 1.00 0.00 O HETATM 74 2HN DIV A 5 -8.457 -1.823 -0.539 1.00 0.00 H HETATM 75 1HB1 DIV A 5 -5.522 -1.555 -3.469 1.00 0.00 H HETATM 76 2HB1 DIV A 5 -5.691 -3.038 -2.635 1.00 0.00 H HETATM 77 1HG1 DIV A 5 -7.776 -1.837 -4.558 1.00 0.00 H HETATM 78 2HG1 DIV A 5 -6.769 -3.273 -4.806 1.00 0.00 H HETATM 79 3HG1 DIV A 5 -8.061 -3.303 -3.573 1.00 0.00 H HETATM 80 1HB2 DIV A 5 -8.117 0.430 -1.446 1.00 0.00 H HETATM 81 2HB2 DIV A 5 -7.226 0.501 -2.971 1.00 0.00 H HETATM 82 3HB2 DIV A 5 -8.608 -0.594 -2.790 1.00 0.00 H ATOM 83 N ILE A 6 -5.813 0.148 0.085 1.00 0.00 N ATOM 84 CA ILE A 6 -4.758 0.761 0.956 1.00 0.00 C ATOM 85 C ILE A 6 -3.855 -0.304 1.691 1.00 0.00 C ATOM 86 O ILE A 6 -2.703 0.015 1.997 1.00 0.00 O ATOM 87 CB ILE A 6 -5.424 1.833 1.899 1.00 0.00 C ATOM 88 CG1 ILE A 6 -6.129 3.004 1.134 1.00 0.00 C ATOM 89 CG2 ILE A 6 -4.451 2.474 2.926 1.00 0.00 C ATOM 90 CD1 ILE A 6 -7.285 3.658 1.913 1.00 0.00 C ATOM 91 H ILE A 6 -6.809 0.209 0.326 1.00 0.00 H ATOM 92 HA ILE A 6 -4.072 1.311 0.283 1.00 0.00 H ATOM 93 HB ILE A 6 -6.192 1.296 2.490 1.00 0.00 H ATOM 94 1HG1 ILE A 6 -5.392 3.777 0.842 1.00 0.00 H ATOM 95 2HG1 ILE A 6 -6.544 2.659 0.170 1.00 0.00 H ATOM 96 1HG2 ILE A 6 -3.596 2.965 2.426 1.00 0.00 H ATOM 97 2HG2 ILE A 6 -4.947 3.240 3.550 1.00 0.00 H ATOM 98 3HG2 ILE A 6 -4.042 1.729 3.633 1.00 0.00 H ATOM 99 1HD1 ILE A 6 -6.955 4.071 2.882 1.00 0.00 H ATOM 100 2HD1 ILE A 6 -7.733 4.489 1.341 1.00 0.00 H ATOM 101 3HD1 ILE A 6 -8.089 2.931 2.122 1.00 0.00 H ATOM 102 N THR A 7 -4.337 -1.547 1.935 1.00 0.00 N ATOM 103 CA THR A 7 -3.511 -2.687 2.421 1.00 0.00 C ATOM 104 C THR A 7 -2.553 -3.276 1.347 1.00 0.00 C ATOM 105 O THR A 7 -1.392 -3.483 1.691 1.00 0.00 O ATOM 106 CB THR A 7 -4.400 -3.747 3.136 1.00 0.00 C ATOM 107 OG1 THR A 7 -5.057 -3.143 4.249 1.00 0.00 O ATOM 108 CG2 THR A 7 -3.659 -4.979 3.688 1.00 0.00 C ATOM 109 H THR A 7 -5.295 -1.695 1.593 1.00 0.00 H ATOM 110 HA THR A 7 -2.846 -2.286 3.198 1.00 0.00 H ATOM 111 HB THR A 7 -5.169 -4.107 2.430 1.00 0.00 H ATOM 112 HG1 THR A 7 -5.503 -2.368 3.903 1.00 0.00 H ATOM 113 1HG2 THR A 7 -4.343 -5.625 4.268 1.00 0.00 H ATOM 114 2HG2 THR A 7 -3.241 -5.601 2.874 1.00 0.00 H ATOM 115 3HG2 THR A 7 -2.821 -4.701 4.354 1.00 0.00 H HETATM 116 N AIB A 8 -2.975 -3.528 0.087 1.00 0.00 N HETATM 117 CA AIB A 8 -2.043 -3.868 -1.053 1.00 0.00 C HETATM 118 C AIB A 8 -0.888 -2.811 -1.287 1.00 0.00 C HETATM 119 O1 AIB A 8 0.273 -3.154 -1.536 1.00 0.00 O HETATM 120 CB1 AIB A 8 -2.918 -3.918 -2.335 1.00 0.00 C HETATM 121 CB2 AIB A 8 -1.466 -5.301 -0.855 1.00 0.00 C HETATM 122 2HN AIB A 8 -3.952 -3.242 -0.072 1.00 0.00 H HETATM 123 1HB1 AIB A 8 -3.377 -2.937 -2.564 1.00 0.00 H HETATM 124 2HB1 AIB A 8 -2.329 -4.200 -3.228 1.00 0.00 H HETATM 125 3HB1 AIB A 8 -3.748 -4.648 -2.257 1.00 0.00 H HETATM 126 1HB2 AIB A 8 -2.253 -6.067 -0.724 1.00 0.00 H HETATM 127 2HB2 AIB A 8 -0.844 -5.619 -1.713 1.00 0.00 H HETATM 128 3HB2 AIB A 8 -0.808 -5.360 0.033 1.00 0.00 H ATOM 129 N LEU A 9 -1.225 -1.510 -1.193 1.00 0.00 N ATOM 130 CA LEU A 9 -0.262 -0.379 -1.289 1.00 0.00 C ATOM 131 C LEU A 9 0.544 -0.052 0.015 1.00 0.00 C ATOM 132 O LEU A 9 1.536 0.675 -0.095 1.00 0.00 O ATOM 133 CB LEU A 9 -1.056 0.839 -1.842 1.00 0.00 C ATOM 134 CG LEU A 9 -1.415 0.764 -3.360 1.00 0.00 C ATOM 135 CD1 LEU A 9 -2.687 1.561 -3.710 1.00 0.00 C ATOM 136 CD2 LEU A 9 -0.234 1.205 -4.248 1.00 0.00 C ATOM 137 H LEU A 9 -2.206 -1.346 -0.939 1.00 0.00 H ATOM 138 HA LEU A 9 0.504 -0.616 -2.050 1.00 0.00 H ATOM 139 1HB LEU A 9 -1.971 0.973 -1.234 1.00 0.00 H ATOM 140 2HB LEU A 9 -0.482 1.763 -1.657 1.00 0.00 H ATOM 141 HG LEU A 9 -1.647 -0.284 -3.620 1.00 0.00 H ATOM 142 1HD1 LEU A 9 -2.595 2.632 -3.452 1.00 0.00 H ATOM 143 2HD1 LEU A 9 -2.924 1.501 -4.789 1.00 0.00 H ATOM 144 3HD1 LEU A 9 -3.574 1.169 -3.177 1.00 0.00 H ATOM 145 1HD2 LEU A 9 0.678 0.611 -4.049 1.00 0.00 H ATOM 146 2HD2 LEU A 9 -0.459 1.086 -5.326 1.00 0.00 H ATOM 147 3HD2 LEU A 9 0.027 2.268 -4.079 1.00 0.00 H HETATM 148 N AIB A 10 0.173 -0.579 1.215 1.00 0.00 N HETATM 149 CA AIB A 10 0.947 -0.447 2.494 1.00 0.00 C HETATM 150 C AIB A 10 2.415 -1.051 2.383 1.00 0.00 C HETATM 151 O1 AIB A 10 3.353 -0.293 2.644 1.00 0.00 O HETATM 152 CB1 AIB A 10 0.137 -1.162 3.613 1.00 0.00 C HETATM 153 CB2 AIB A 10 0.935 1.059 2.917 1.00 0.00 C HETATM 154 2HN AIB A 10 -0.590 -1.267 1.143 1.00 0.00 H HETATM 155 1HB1 AIB A 10 -0.074 -2.223 3.393 1.00 0.00 H HETATM 156 2HB1 AIB A 10 0.662 -1.147 4.589 1.00 0.00 H HETATM 157 3HB1 AIB A 10 -0.850 -0.693 3.788 1.00 0.00 H HETATM 158 1HB2 AIB A 10 -0.089 1.479 2.946 1.00 0.00 H HETATM 159 2HB2 AIB A 10 1.380 1.224 3.917 1.00 0.00 H HETATM 160 3HB2 AIB A 10 1.509 1.693 2.219 1.00 0.00 H HETATM 161 N HYP A 11 2.721 -2.322 1.948 1.00 0.00 N HETATM 162 CA HYP A 11 4.094 -2.750 1.549 1.00 0.00 C HETATM 163 C HYP A 11 4.730 -2.096 0.272 1.00 0.00 C HETATM 164 O HYP A 11 5.932 -2.293 0.067 1.00 0.00 O HETATM 165 CB HYP A 11 3.950 -4.280 1.407 1.00 0.00 C HETATM 166 CG HYP A 11 2.493 -4.506 1.015 1.00 0.00 C HETATM 167 CD HYP A 11 1.745 -3.410 1.775 1.00 0.00 C HETATM 168 OD HYP A 11 2.029 -5.794 1.396 1.00 0.00 O HETATM 169 HA HYP A 11 4.784 -2.557 2.393 1.00 0.00 H HETATM 170 1HB HYP A 11 4.651 -4.725 0.677 1.00 0.00 H HETATM 171 2HB HYP A 11 4.160 -4.775 2.373 1.00 0.00 H HETATM 172 1HD HYP A 11 0.872 -3.095 1.189 1.00 0.00 H HETATM 173 2HD HYP A 11 1.409 -3.775 2.766 1.00 0.00 H HETATM 174 HOD HYP A 11 1.359 -5.651 2.068 1.00 0.00 H HETATM 175 HG HYP A 11 2.371 -4.366 -0.078 1.00 0.00 H ATOM 176 N GLN A 12 3.992 -1.281 -0.515 1.00 0.00 N ATOM 177 CA GLN A 12 4.582 -0.404 -1.566 1.00 0.00 C ATOM 178 C GLN A 12 4.880 1.067 -1.134 1.00 0.00 C ATOM 179 O GLN A 12 5.206 1.867 -2.011 1.00 0.00 O ATOM 180 CB GLN A 12 3.688 -0.420 -2.837 1.00 0.00 C ATOM 181 CG GLN A 12 3.362 -1.812 -3.415 1.00 0.00 C ATOM 182 CD GLN A 12 2.687 -1.756 -4.797 1.00 0.00 C ATOM 183 OE1 GLN A 12 3.235 -1.224 -5.765 1.00 0.00 O ATOM 184 NE2 GLN A 12 1.490 -2.286 -4.932 1.00 0.00 N ATOM 185 H GLN A 12 3.045 -1.077 -0.195 1.00 0.00 H ATOM 186 HA GLN A 12 5.573 -0.804 -1.830 1.00 0.00 H ATOM 187 1HB GLN A 12 2.739 0.116 -2.641 1.00 0.00 H ATOM 188 2HB GLN A 12 4.194 0.177 -3.613 1.00 0.00 H ATOM 189 1HG GLN A 12 4.292 -2.407 -3.480 1.00 0.00 H ATOM 190 2HG GLN A 12 2.724 -2.338 -2.671 1.00 0.00 H ATOM 191 1HE2 GLN A 12 1.084 -2.233 -5.875 1.00 0.00 H ATOM 192 2HE2 GLN A 12 1.085 -2.733 -4.102 1.00 0.00 H HETATM 193 N AIB A 13 4.835 1.407 0.175 1.00 0.00 N HETATM 194 CA AIB A 13 5.649 2.486 0.825 1.00 0.00 C HETATM 195 C AIB A 13 7.132 1.930 1.076 1.00 0.00 C HETATM 196 O1 AIB A 13 8.072 2.460 0.459 1.00 0.00 O HETATM 197 CB1 AIB A 13 4.874 2.882 2.123 1.00 0.00 C HETATM 198 CB2 AIB A 13 5.656 3.814 0.014 1.00 0.00 C HETATM 199 2HN AIB A 13 4.472 0.644 0.757 1.00 0.00 H HETATM 200 1HB1 AIB A 13 4.425 2.028 2.663 1.00 0.00 H HETATM 201 2HB1 AIB A 13 5.512 3.420 2.848 1.00 0.00 H HETATM 202 3HB1 AIB A 13 4.001 3.538 1.924 1.00 0.00 H HETATM 203 1HB2 AIB A 13 4.634 4.125 -0.277 1.00 0.00 H HETATM 204 2HB2 AIB A 13 6.114 4.642 0.580 1.00 0.00 H HETATM 205 3HB2 AIB A 13 6.238 3.717 -0.916 1.00 0.00 H HETATM 206 N HYP A 14 7.442 0.859 1.885 1.00 0.00 N HETATM 207 CA HYP A 14 8.823 0.346 2.076 1.00 0.00 C HETATM 208 C HYP A 14 9.547 -0.288 0.852 1.00 0.00 C HETATM 209 O HYP A 14 10.758 -0.086 0.745 1.00 0.00 O HETATM 210 CB HYP A 14 8.712 -0.648 3.249 1.00 0.00 C HETATM 211 CG HYP A 14 7.229 -0.972 3.448 1.00 0.00 C HETATM 212 CD HYP A 14 6.459 0.059 2.624 1.00 0.00 C HETATM 213 OD HYP A 14 6.881 -0.890 4.826 1.00 0.00 O HETATM 214 HA HYP A 14 9.445 1.192 2.429 1.00 0.00 H HETATM 215 1HB HYP A 14 9.280 -1.583 3.072 1.00 0.00 H HETATM 216 2HB HYP A 14 9.141 -0.199 4.165 1.00 0.00 H HETATM 217 1HD HYP A 14 5.788 -0.446 1.923 1.00 0.00 H HETATM 218 2HD HYP A 14 5.834 0.679 3.267 1.00 0.00 H HETATM 219 HOD HYP A 14 7.102 0.004 5.097 1.00 0.00 H HETATM 220 HG HYP A 14 7.004 -1.993 3.085 1.00 0.00 H HETATM 221 N AIB A 15 8.869 -1.061 -0.039 1.00 0.00 N HETATM 222 CA AIB A 15 9.507 -1.705 -1.235 1.00 0.00 C HETATM 223 C AIB A 15 10.204 -0.662 -2.212 1.00 0.00 C HETATM 224 O1 AIB A 15 11.387 -0.863 -2.519 1.00 0.00 O HETATM 225 CB1 AIB A 15 8.423 -2.521 -1.988 1.00 0.00 C HETATM 226 CB2 AIB A 15 10.524 -2.772 -0.722 1.00 0.00 C HETATM 227 2HN AIB A 15 7.844 -0.984 0.003 1.00 0.00 H HETATM 228 1HB1 AIB A 15 7.560 -1.917 -2.306 1.00 0.00 H HETATM 229 2HB1 AIB A 15 8.826 -2.991 -2.905 1.00 0.00 H HETATM 230 3HB1 AIB A 15 7.998 -3.333 -1.365 1.00 0.00 H HETATM 231 1HB2 AIB A 15 10.070 -3.475 0.003 1.00 0.00 H HETATM 232 2HB2 AIB A 15 10.950 -3.361 -1.555 1.00 0.00 H HETATM 233 3HB2 AIB A 15 11.387 -2.304 -0.208 1.00 0.00 H ATOM 234 N PRO A 16 9.608 0.485 -2.676 1.00 0.00 N ATOM 235 CA PRO A 16 10.386 1.616 -3.248 1.00 0.00 C ATOM 236 C PRO A 16 11.284 2.436 -2.277 1.00 0.00 C ATOM 237 O PRO A 16 12.285 2.989 -2.743 1.00 0.00 O ATOM 238 CB PRO A 16 9.314 2.466 -3.955 1.00 0.00 C ATOM 239 CG PRO A 16 8.001 2.171 -3.229 1.00 0.00 C ATOM 240 CD PRO A 16 8.184 0.828 -2.511 1.00 0.00 C ATOM 241 HA PRO A 16 11.072 1.213 -3.999 1.00 0.00 H ATOM 242 1HB PRO A 16 9.543 3.548 -3.966 1.00 0.00 H ATOM 243 2HB PRO A 16 9.229 2.163 -5.016 1.00 0.00 H ATOM 244 1HG PRO A 16 7.799 2.968 -2.490 1.00 0.00 H ATOM 245 2HG PRO A 16 7.142 2.159 -3.924 1.00 0.00 H ATOM 246 1HD PRO A 16 7.921 0.942 -1.449 1.00 0.00 H ATOM 247 2HD PRO A 16 7.516 0.048 -2.898 1.00 0.00 H HETATM 248 N PHL A 17 10.928 2.543 -0.982 1.00 0.00 N HETATM 249 CA PHL A 17 11.596 3.492 -0.051 1.00 0.00 C HETATM 250 C PHL A 17 12.081 2.791 1.234 1.00 0.00 C HETATM 251 O PHL A 17 12.966 1.714 0.940 1.00 0.00 O HETATM 252 CB PHL A 17 10.627 4.663 0.270 1.00 0.00 C HETATM 253 CG PHL A 17 10.204 5.538 -0.934 1.00 0.00 C HETATM 254 CD1 PHL A 17 11.164 6.249 -1.662 1.00 0.00 C HETATM 255 CD2 PHL A 17 8.871 5.558 -1.357 1.00 0.00 C HETATM 256 CE1 PHL A 17 10.796 6.959 -2.800 1.00 0.00 C HETATM 257 CE2 PHL A 17 8.502 6.275 -2.495 1.00 0.00 C HETATM 258 CZ PHL A 17 9.467 6.980 -3.212 1.00 0.00 C HETATM 259 H1 PHL A 17 11.233 2.424 1.839 1.00 0.00 H HETATM 260 H2 PHL A 17 12.617 3.517 1.875 1.00 0.00 H HETATM 261 HO PHL A 17 13.584 1.665 1.673 1.00 0.00 H HETATM 262 HA PHL A 17 12.500 3.937 -0.510 1.00 0.00 H HETATM 263 2HN PHL A 17 10.043 2.058 -0.758 1.00 0.00 H HETATM 264 1HB PHL A 17 9.741 4.232 0.773 1.00 0.00 H HETATM 265 2HB PHL A 17 11.099 5.319 1.025 1.00 0.00 H HETATM 266 HD1 PHL A 17 12.208 6.206 -1.380 1.00 0.00 H HETATM 267 HD2 PHL A 17 8.126 4.985 -0.831 1.00 0.00 H HETATM 268 HE1 PHL A 17 11.552 7.481 -3.370 1.00 0.00 H HETATM 269 HE2 PHL A 17 7.473 6.275 -2.820 1.00 0.00 H HETATM 270 HZ PHL A 17 9.184 7.531 -4.098 1.00 0.00 H TER 271 PHL A 17 ENDMDL MODEL 19 HETATM 1 C ACE A 1 -11.426 -1.852 -1.323 1.00 0.00 C HETATM 2 O ACE A 1 -10.334 -1.759 -1.881 1.00 0.00 O HETATM 3 CH3 ACE A 1 -12.280 -3.106 -1.510 1.00 0.00 C HETATM 4 1H ACE A 1 -13.323 -2.858 -1.785 1.00 0.00 H HETATM 5 2H ACE A 1 -11.873 -3.748 -2.311 1.00 0.00 H HETATM 6 3H ACE A 1 -12.305 -3.714 -0.586 1.00 0.00 H ATOM 7 N TRP A 2 -11.941 -0.920 -0.512 1.00 0.00 N ATOM 8 CA TRP A 2 -11.223 0.336 -0.117 1.00 0.00 C ATOM 9 C TRP A 2 -10.130 0.133 0.966 1.00 0.00 C ATOM 10 O TRP A 2 -8.984 0.542 0.769 1.00 0.00 O ATOM 11 CB TRP A 2 -12.180 1.510 0.271 1.00 0.00 C ATOM 12 CG TRP A 2 -13.555 1.201 0.892 1.00 0.00 C ATOM 13 CD1 TRP A 2 -13.814 0.774 2.210 1.00 0.00 C ATOM 14 CD2 TRP A 2 -14.778 1.177 0.248 1.00 0.00 C ATOM 15 NE1 TRP A 2 -15.169 0.455 2.399 1.00 0.00 N ATOM 16 CE2 TRP A 2 -15.748 0.713 1.169 1.00 0.00 C ATOM 17 CE3 TRP A 2 -15.148 1.483 -1.090 1.00 0.00 C ATOM 18 CZ2 TRP A 2 -17.093 0.539 0.758 1.00 0.00 C ATOM 19 CZ3 TRP A 2 -16.479 1.318 -1.468 1.00 0.00 C ATOM 20 CH2 TRP A 2 -17.438 0.850 -0.558 1.00 0.00 C ATOM 21 H TRP A 2 -12.847 -1.168 -0.104 1.00 0.00 H ATOM 22 HA TRP A 2 -10.680 0.699 -1.014 1.00 0.00 H ATOM 23 1HB TRP A 2 -11.662 2.253 0.905 1.00 0.00 H ATOM 24 2HB TRP A 2 -12.356 2.066 -0.655 1.00 0.00 H ATOM 25 HD1 TRP A 2 -13.060 0.652 2.970 1.00 0.00 H ATOM 26 HE1 TRP A 2 -15.605 0.047 3.228 1.00 0.00 H ATOM 27 HE3 TRP A 2 -14.422 1.843 -1.806 1.00 0.00 H ATOM 28 HZ2 TRP A 2 -17.836 0.165 1.448 1.00 0.00 H ATOM 29 HZ3 TRP A 2 -16.776 1.555 -2.479 1.00 0.00 H ATOM 30 HH2 TRP A 2 -18.460 0.726 -0.884 1.00 0.00 H ATOM 31 N ILE A 3 -10.478 -0.509 2.092 1.00 0.00 N ATOM 32 CA ILE A 3 -9.484 -0.955 3.119 1.00 0.00 C ATOM 33 C ILE A 3 -8.489 -2.039 2.573 1.00 0.00 C ATOM 34 O ILE A 3 -7.294 -1.926 2.850 1.00 0.00 O ATOM 35 CB ILE A 3 -10.188 -1.352 4.473 1.00 0.00 C ATOM 36 CG1 ILE A 3 -11.116 -0.253 5.094 1.00 0.00 C ATOM 37 CG2 ILE A 3 -9.203 -1.806 5.581 1.00 0.00 C ATOM 38 CD1 ILE A 3 -12.419 -0.819 5.686 1.00 0.00 C ATOM 39 H ILE A 3 -11.494 -0.634 2.161 1.00 0.00 H ATOM 40 HA ILE A 3 -8.836 -0.079 3.305 1.00 0.00 H ATOM 41 HB ILE A 3 -10.810 -2.236 4.233 1.00 0.00 H ATOM 42 1HG1 ILE A 3 -10.588 0.333 5.872 1.00 0.00 H ATOM 43 2HG1 ILE A 3 -11.389 0.513 4.348 1.00 0.00 H ATOM 44 1HG2 ILE A 3 -8.481 -1.006 5.833 1.00 0.00 H ATOM 45 2HG2 ILE A 3 -9.728 -2.079 6.512 1.00 0.00 H ATOM 46 3HG2 ILE A 3 -8.620 -2.695 5.281 1.00 0.00 H ATOM 47 1HD1 ILE A 3 -12.222 -1.553 6.489 1.00 0.00 H ATOM 48 2HD1 ILE A 3 -13.048 -0.020 6.117 1.00 0.00 H ATOM 49 3HD1 ILE A 3 -13.025 -1.329 4.913 1.00 0.00 H ATOM 50 N GLN A 4 -8.952 -3.020 1.773 1.00 0.00 N ATOM 51 CA GLN A 4 -8.064 -3.915 0.979 1.00 0.00 C ATOM 52 C GLN A 4 -7.081 -3.208 -0.006 1.00 0.00 C ATOM 53 O GLN A 4 -5.927 -3.632 -0.072 1.00 0.00 O ATOM 54 CB GLN A 4 -8.914 -4.979 0.238 1.00 0.00 C ATOM 55 CG GLN A 4 -9.543 -6.049 1.170 1.00 0.00 C ATOM 56 CD GLN A 4 -10.452 -7.054 0.444 1.00 0.00 C ATOM 57 OE1 GLN A 4 -11.517 -6.700 -0.061 1.00 0.00 O ATOM 58 NE2 GLN A 4 -10.079 -8.324 0.396 1.00 0.00 N ATOM 59 H GLN A 4 -9.955 -2.952 1.572 1.00 0.00 H ATOM 60 HA GLN A 4 -7.423 -4.456 1.703 1.00 0.00 H ATOM 61 1HB GLN A 4 -9.698 -4.487 -0.369 1.00 0.00 H ATOM 62 2HB GLN A 4 -8.278 -5.515 -0.493 1.00 0.00 H ATOM 63 1HG GLN A 4 -8.736 -6.570 1.726 1.00 0.00 H ATOM 64 2HG GLN A 4 -10.151 -5.558 1.954 1.00 0.00 H ATOM 65 1HE2 GLN A 4 -10.743 -8.978 -0.034 1.00 0.00 H ATOM 66 2HE2 GLN A 4 -9.185 -8.560 0.842 1.00 0.00 H HETATM 67 N DIV A 5 -7.506 -2.144 -0.734 1.00 0.00 N HETATM 68 CA DIV A 5 -6.634 -1.293 -1.601 1.00 0.00 C HETATM 69 CB1 DIV A 5 -6.117 -2.177 -2.787 1.00 0.00 C HETATM 70 CG1 DIV A 5 -7.081 -2.692 -3.878 1.00 0.00 C HETATM 71 CB2 DIV A 5 -7.484 -0.131 -2.201 1.00 0.00 C HETATM 72 C DIV A 5 -5.449 -0.619 -0.786 1.00 0.00 C HETATM 73 O DIV A 5 -4.275 -0.762 -1.148 1.00 0.00 O HETATM 74 2HN DIV A 5 -8.463 -1.860 -0.537 1.00 0.00 H HETATM 75 1HB1 DIV A 5 -5.349 -1.583 -3.269 1.00 0.00 H HETATM 76 2HB1 DIV A 5 -5.565 -3.054 -2.407 1.00 0.00 H HETATM 77 1HG1 DIV A 5 -7.549 -1.866 -4.443 1.00 0.00 H HETATM 78 2HG1 DIV A 5 -6.539 -3.311 -4.615 1.00 0.00 H HETATM 79 3HG1 DIV A 5 -7.892 -3.313 -3.456 1.00 0.00 H HETATM 80 1HB2 DIV A 5 -7.918 0.527 -1.429 1.00 0.00 H HETATM 81 2HB2 DIV A 5 -6.878 0.520 -2.863 1.00 0.00 H HETATM 82 3HB2 DIV A 5 -8.335 -0.488 -2.808 1.00 0.00 H ATOM 83 N ILE A 6 -5.744 0.084 0.340 1.00 0.00 N ATOM 84 CA ILE A 6 -4.707 0.629 1.277 1.00 0.00 C ATOM 85 C ILE A 6 -3.812 -0.472 1.962 1.00 0.00 C ATOM 86 O ILE A 6 -2.661 -0.173 2.292 1.00 0.00 O ATOM 87 CB ILE A 6 -5.376 1.633 2.300 1.00 0.00 C ATOM 88 CG1 ILE A 6 -6.151 2.823 1.651 1.00 0.00 C ATOM 89 CG2 ILE A 6 -4.425 2.205 3.387 1.00 0.00 C ATOM 90 CD1 ILE A 6 -5.335 3.795 0.777 1.00 0.00 C ATOM 91 H ILE A 6 -6.742 0.114 0.573 1.00 0.00 H ATOM 92 HA ILE A 6 -4.008 1.229 0.661 1.00 0.00 H ATOM 93 HB ILE A 6 -6.132 1.050 2.861 1.00 0.00 H ATOM 94 1HG1 ILE A 6 -6.987 2.432 1.044 1.00 0.00 H ATOM 95 2HG1 ILE A 6 -6.652 3.411 2.444 1.00 0.00 H ATOM 96 1HG2 ILE A 6 -3.551 2.723 2.949 1.00 0.00 H ATOM 97 2HG2 ILE A 6 -4.940 2.933 4.046 1.00 0.00 H ATOM 98 3HG2 ILE A 6 -4.038 1.413 4.053 1.00 0.00 H ATOM 99 1HD1 ILE A 6 -4.862 3.282 -0.080 1.00 0.00 H ATOM 100 2HD1 ILE A 6 -5.977 4.593 0.364 1.00 0.00 H ATOM 101 3HD1 ILE A 6 -4.533 4.293 1.352 1.00 0.00 H ATOM 102 N THR A 7 -4.302 -1.716 2.149 1.00 0.00 N ATOM 103 CA THR A 7 -3.495 -2.869 2.634 1.00 0.00 C ATOM 104 C THR A 7 -2.488 -3.418 1.581 1.00 0.00 C ATOM 105 O THR A 7 -1.328 -3.589 1.950 1.00 0.00 O ATOM 106 CB THR A 7 -4.433 -3.950 3.250 1.00 0.00 C ATOM 107 OG1 THR A 7 -5.217 -3.368 4.289 1.00 0.00 O ATOM 108 CG2 THR A 7 -3.722 -5.163 3.878 1.00 0.00 C ATOM 109 H THR A 7 -5.256 -1.847 1.802 1.00 0.00 H ATOM 110 HA THR A 7 -2.879 -2.493 3.465 1.00 0.00 H ATOM 111 HB THR A 7 -5.116 -4.323 2.463 1.00 0.00 H ATOM 112 HG1 THR A 7 -5.109 -2.418 4.191 1.00 0.00 H ATOM 113 1HG2 THR A 7 -4.449 -5.834 4.373 1.00 0.00 H ATOM 114 2HG2 THR A 7 -3.189 -5.767 3.122 1.00 0.00 H ATOM 115 3HG2 THR A 7 -2.984 -4.856 4.642 1.00 0.00 H HETATM 116 N AIB A 8 -2.882 -3.663 0.307 1.00 0.00 N HETATM 117 CA AIB A 8 -1.920 -3.934 -0.825 1.00 0.00 C HETATM 118 C AIB A 8 -0.819 -2.812 -1.035 1.00 0.00 C HETATM 119 O1 AIB A 8 0.352 -3.097 -1.311 1.00 0.00 O HETATM 120 CB1 AIB A 8 -2.780 -3.999 -2.114 1.00 0.00 C HETATM 121 CB2 AIB A 8 -1.275 -5.341 -0.646 1.00 0.00 C HETATM 122 2HN AIB A 8 -3.837 -3.329 0.120 1.00 0.00 H HETATM 123 1HB1 AIB A 8 -3.266 -3.031 -2.339 1.00 0.00 H HETATM 124 2HB1 AIB A 8 -2.172 -4.252 -3.004 1.00 0.00 H HETATM 125 3HB1 AIB A 8 -3.587 -4.754 -2.055 1.00 0.00 H HETATM 126 1HB2 AIB A 8 -2.027 -6.145 -0.534 1.00 0.00 H HETATM 127 2HB2 AIB A 8 -0.638 -5.614 -1.508 1.00 0.00 H HETATM 128 3HB2 AIB A 8 -0.621 -5.385 0.244 1.00 0.00 H ATOM 129 N LEU A 9 -1.221 -1.536 -0.890 1.00 0.00 N ATOM 130 CA LEU A 9 -0.317 -0.357 -0.938 1.00 0.00 C ATOM 131 C LEU A 9 0.562 -0.110 0.335 1.00 0.00 C ATOM 132 O LEU A 9 1.541 0.631 0.213 1.00 0.00 O ATOM 133 CB LEU A 9 -1.188 0.876 -1.315 1.00 0.00 C ATOM 134 CG LEU A 9 -1.683 0.934 -2.793 1.00 0.00 C ATOM 135 CD1 LEU A 9 -2.885 1.884 -2.975 1.00 0.00 C ATOM 136 CD2 LEU A 9 -0.549 1.332 -3.761 1.00 0.00 C ATOM 137 H LEU A 9 -2.201 -1.435 -0.601 1.00 0.00 H ATOM 138 HA LEU A 9 0.399 -0.500 -1.766 1.00 0.00 H ATOM 139 1HB LEU A 9 -2.051 0.924 -0.624 1.00 0.00 H ATOM 140 2HB LEU A 9 -0.623 1.802 -1.102 1.00 0.00 H ATOM 141 HG LEU A 9 -2.040 -0.068 -3.089 1.00 0.00 H ATOM 142 1HD1 LEU A 9 -2.641 2.926 -2.693 1.00 0.00 H ATOM 143 2HD1 LEU A 9 -3.235 1.900 -4.025 1.00 0.00 H ATOM 144 3HD1 LEU A 9 -3.752 1.572 -2.362 1.00 0.00 H ATOM 145 1HD2 LEU A 9 0.313 0.644 -3.697 1.00 0.00 H ATOM 146 2HD2 LEU A 9 -0.882 1.321 -4.817 1.00 0.00 H ATOM 147 3HD2 LEU A 9 -0.164 2.347 -3.545 1.00 0.00 H HETATM 148 N AIB A 10 0.261 -0.711 1.522 1.00 0.00 N HETATM 149 CA AIB A 10 1.106 -0.649 2.764 1.00 0.00 C HETATM 150 C AIB A 10 2.573 -1.223 2.519 1.00 0.00 C HETATM 151 O1 AIB A 10 3.517 -0.463 2.752 1.00 0.00 O HETATM 152 CB1 AIB A 10 0.362 -1.439 3.881 1.00 0.00 C HETATM 153 CB2 AIB A 10 1.111 0.829 3.277 1.00 0.00 C HETATM 154 2HN AIB A 10 -0.530 -1.365 1.462 1.00 0.00 H HETATM 155 1HB1 AIB A 10 0.162 -2.491 3.617 1.00 0.00 H HETATM 156 2HB1 AIB A 10 0.927 -1.465 4.833 1.00 0.00 H HETATM 157 3HB1 AIB A 10 -0.629 -1.003 4.122 1.00 0.00 H HETATM 158 1HB2 AIB A 10 0.089 1.238 3.398 1.00 0.00 H HETATM 159 2HB2 AIB A 10 1.621 0.943 4.252 1.00 0.00 H HETATM 160 3HB2 AIB A 10 1.634 1.510 2.581 1.00 0.00 H HETATM 161 N HYP A 11 2.861 -2.462 1.990 1.00 0.00 N HETATM 162 CA HYP A 11 4.209 -2.841 1.472 1.00 0.00 C HETATM 163 C HYP A 11 4.755 -2.103 0.201 1.00 0.00 C HETATM 164 O HYP A 11 5.939 -2.289 -0.106 1.00 0.00 O HETATM 165 CB HYP A 11 4.087 -4.364 1.260 1.00 0.00 C HETATM 166 CG HYP A 11 2.601 -4.626 1.021 1.00 0.00 C HETATM 167 CD HYP A 11 1.902 -3.571 1.880 1.00 0.00 C HETATM 168 OD HYP A 11 2.219 -5.933 1.427 1.00 0.00 O HETATM 169 HA HYP A 11 4.950 -2.680 2.275 1.00 0.00 H HETATM 170 1HB HYP A 11 4.713 -4.750 0.433 1.00 0.00 H HETATM 171 2HB HYP A 11 4.422 -4.898 2.168 1.00 0.00 H HETATM 172 1HD HYP A 11 0.964 -3.268 1.398 1.00 0.00 H HETATM 173 2HD HYP A 11 1.678 -3.972 2.889 1.00 0.00 H HETATM 174 HOD HYP A 11 1.261 -5.920 1.496 1.00 0.00 H HETATM 175 HG HYP A 11 2.356 -4.476 -0.049 1.00 0.00 H ATOM 176 N GLN A 12 3.974 -1.233 -0.478 1.00 0.00 N ATOM 177 CA GLN A 12 4.499 -0.289 -1.504 1.00 0.00 C ATOM 178 C GLN A 12 4.801 1.156 -0.996 1.00 0.00 C ATOM 179 O GLN A 12 5.033 2.026 -1.836 1.00 0.00 O ATOM 180 CB GLN A 12 3.538 -0.243 -2.725 1.00 0.00 C ATOM 181 CG GLN A 12 3.203 -1.602 -3.370 1.00 0.00 C ATOM 182 CD GLN A 12 2.441 -1.464 -4.702 1.00 0.00 C ATOM 183 OE1 GLN A 12 2.928 -0.873 -5.668 1.00 0.00 O ATOM 184 NE2 GLN A 12 1.245 -2.014 -4.801 1.00 0.00 N ATOM 185 H GLN A 12 3.044 -1.058 -0.097 1.00 0.00 H ATOM 186 HA GLN A 12 5.478 -0.659 -1.847 1.00 0.00 H ATOM 187 1HB GLN A 12 2.596 0.268 -2.450 1.00 0.00 H ATOM 188 2HB GLN A 12 3.996 0.404 -3.491 1.00 0.00 H ATOM 189 1HG GLN A 12 4.138 -2.172 -3.529 1.00 0.00 H ATOM 190 2HG GLN A 12 2.623 -2.188 -2.622 1.00 0.00 H ATOM 191 1HE2 GLN A 12 0.791 -1.920 -5.715 1.00 0.00 H ATOM 192 2HE2 GLN A 12 0.885 -2.499 -3.967 1.00 0.00 H HETATM 193 N AIB A 13 4.865 1.407 0.335 1.00 0.00 N HETATM 194 CA AIB A 13 5.718 2.447 0.995 1.00 0.00 C HETATM 195 C AIB A 13 7.215 1.883 1.107 1.00 0.00 C HETATM 196 O1 AIB A 13 8.110 2.454 0.468 1.00 0.00 O HETATM 197 CB1 AIB A 13 5.031 2.751 2.364 1.00 0.00 C HETATM 198 CB2 AIB A 13 5.660 3.826 0.272 1.00 0.00 C HETATM 199 2HN AIB A 13 4.574 0.591 0.884 1.00 0.00 H HETATM 200 1HB1 AIB A 13 4.632 1.858 2.879 1.00 0.00 H HETATM 201 2HB1 AIB A 13 5.713 3.255 3.074 1.00 0.00 H HETATM 202 3HB1 AIB A 13 4.139 3.403 2.266 1.00 0.00 H HETATM 203 1HB2 AIB A 13 4.616 4.138 0.068 1.00 0.00 H HETATM 204 2HB2 AIB A 13 6.144 4.623 0.856 1.00 0.00 H HETATM 205 3HB2 AIB A 13 6.180 3.796 -0.699 1.00 0.00 H HETATM 206 N HYP A 14 7.575 0.757 1.815 1.00 0.00 N HETATM 207 CA HYP A 14 8.962 0.230 1.877 1.00 0.00 C HETATM 208 C HYP A 14 9.602 -0.329 0.571 1.00 0.00 C HETATM 209 O HYP A 14 10.805 -0.115 0.405 1.00 0.00 O HETATM 210 CB HYP A 14 8.928 -0.835 2.993 1.00 0.00 C HETATM 211 CG HYP A 14 7.463 -1.175 3.268 1.00 0.00 C HETATM 212 CD HYP A 14 6.647 -0.086 2.576 1.00 0.00 C HETATM 213 OD HYP A 14 7.203 -1.193 4.666 1.00 0.00 O HETATM 214 HA HYP A 14 9.614 1.052 2.235 1.00 0.00 H HETATM 215 1HB HYP A 14 9.486 -1.750 2.720 1.00 0.00 H HETATM 216 2HB HYP A 14 9.415 -0.440 3.907 1.00 0.00 H HETATM 217 1HD HYP A 14 5.909 -0.535 1.903 1.00 0.00 H HETATM 218 2HD HYP A 14 6.084 0.497 3.306 1.00 0.00 H HETATM 219 HOD HYP A 14 7.451 -0.322 4.987 1.00 0.00 H HETATM 220 HG HYP A 14 7.214 -2.165 2.844 1.00 0.00 H HETATM 221 N AIB A 15 8.864 -1.052 -0.317 1.00 0.00 N HETATM 222 CA AIB A 15 9.413 -1.610 -1.597 1.00 0.00 C HETATM 223 C AIB A 15 10.024 -0.496 -2.555 1.00 0.00 C HETATM 224 O1 AIB A 15 11.166 -0.680 -2.998 1.00 0.00 O HETATM 225 CB1 AIB A 15 8.280 -2.387 -2.317 1.00 0.00 C HETATM 226 CB2 AIB A 15 10.474 -2.699 -1.238 1.00 0.00 C HETATM 227 2HN AIB A 15 7.845 -0.973 -0.205 1.00 0.00 H HETATM 228 1HB1 AIB A 15 7.392 -1.771 -2.529 1.00 0.00 H HETATM 229 2HB1 AIB A 15 8.616 -2.794 -3.290 1.00 0.00 H HETATM 230 3HB1 AIB A 15 7.911 -3.243 -1.721 1.00 0.00 H HETATM 231 1HB2 AIB A 15 10.089 -3.448 -0.521 1.00 0.00 H HETATM 232 2HB2 AIB A 15 10.826 -3.243 -2.134 1.00 0.00 H HETATM 233 3HB2 AIB A 15 11.376 -2.252 -0.776 1.00 0.00 H ATOM 234 N PRO A 16 9.401 0.690 -2.866 1.00 0.00 N ATOM 235 CA PRO A 16 10.132 1.857 -3.421 1.00 0.00 C ATOM 236 C PRO A 16 11.111 2.609 -2.480 1.00 0.00 C ATOM 237 O PRO A 16 12.056 3.216 -2.993 1.00 0.00 O ATOM 238 CB PRO A 16 9.013 2.759 -3.972 1.00 0.00 C ATOM 239 CG PRO A 16 7.770 2.415 -3.154 1.00 0.00 C ATOM 240 CD PRO A 16 7.994 1.010 -2.577 1.00 0.00 C ATOM 241 HA PRO A 16 10.749 1.510 -4.252 1.00 0.00 H ATOM 242 1HB PRO A 16 9.250 3.839 -3.921 1.00 0.00 H ATOM 243 2HB PRO A 16 8.834 2.535 -5.040 1.00 0.00 H ATOM 244 1HG PRO A 16 7.657 3.143 -2.331 1.00 0.00 H ATOM 245 2HG PRO A 16 6.852 2.483 -3.766 1.00 0.00 H ATOM 246 1HD PRO A 16 7.792 1.018 -1.496 1.00 0.00 H ATOM 247 2HD PRO A 16 7.310 0.259 -2.996 1.00 0.00 H HETATM 248 N PHL A 17 10.881 2.609 -1.152 1.00 0.00 N HETATM 249 CA PHL A 17 11.620 3.504 -0.224 1.00 0.00 C HETATM 250 C PHL A 17 12.202 2.695 0.953 1.00 0.00 C HETATM 251 O PHL A 17 13.102 3.494 1.711 1.00 0.00 O HETATM 252 CB PHL A 17 10.684 4.646 0.247 1.00 0.00 C HETATM 253 CG PHL A 17 10.139 5.586 -0.854 1.00 0.00 C HETATM 254 CD1 PHL A 17 11.011 6.320 -1.664 1.00 0.00 C HETATM 255 CD2 PHL A 17 8.762 5.662 -1.086 1.00 0.00 C HETATM 256 CE1 PHL A 17 10.514 7.119 -2.691 1.00 0.00 C HETATM 257 CE2 PHL A 17 8.265 6.464 -2.112 1.00 0.00 C HETATM 258 CZ PHL A 17 9.139 7.195 -2.909 1.00 0.00 C HETATM 259 H1 PHL A 17 12.749 1.805 0.586 1.00 0.00 H HETATM 260 H2 PHL A 17 11.401 2.319 1.617 1.00 0.00 H HETATM 261 HO PHL A 17 13.770 3.799 1.090 1.00 0.00 H HETATM 262 HA PHL A 17 12.488 3.970 -0.730 1.00 0.00 H HETATM 263 2HN PHL A 17 10.013 2.120 -0.882 1.00 0.00 H HETATM 264 1HB PHL A 17 9.849 4.187 0.812 1.00 0.00 H HETATM 265 2HB PHL A 17 11.225 5.268 0.984 1.00 0.00 H HETATM 266 HD1 PHL A 17 12.081 6.242 -1.524 1.00 0.00 H HETATM 267 HD2 PHL A 17 8.077 5.084 -0.488 1.00 0.00 H HETATM 268 HE1 PHL A 17 11.193 7.670 -3.325 1.00 0.00 H HETATM 269 HE2 PHL A 17 7.200 6.508 -2.291 1.00 0.00 H HETATM 270 HZ PHL A 17 8.754 7.820 -3.700 1.00 0.00 H TER 271 PHL A 17 ENDMDL MODEL 20 HETATM 1 C ACE A 1 -11.662 -1.913 -0.948 1.00 0.00 C HETATM 2 O ACE A 1 -10.629 -1.873 -1.619 1.00 0.00 O HETATM 3 CH3 ACE A 1 -12.528 -3.168 -0.935 1.00 0.00 C HETATM 4 1H ACE A 1 -13.601 -2.931 -1.065 1.00 0.00 H HETATM 5 2H ACE A 1 -12.241 -3.855 -1.751 1.00 0.00 H HETATM 6 3H ACE A 1 -12.410 -3.721 0.016 1.00 0.00 H ATOM 7 N TRP A 2 -12.096 -0.906 -0.178 1.00 0.00 N ATOM 8 CA TRP A 2 -11.327 0.358 0.018 1.00 0.00 C ATOM 9 C TRP A 2 -10.183 0.239 1.080 1.00 0.00 C ATOM 10 O TRP A 2 -9.072 0.722 0.835 1.00 0.00 O ATOM 11 CB TRP A 2 -12.319 1.519 0.317 1.00 0.00 C ATOM 12 CG TRP A 2 -11.851 2.888 -0.194 1.00 0.00 C ATOM 13 CD1 TRP A 2 -12.136 3.413 -1.476 1.00 0.00 C ATOM 14 CD2 TRP A 2 -11.110 3.864 0.448 1.00 0.00 C ATOM 15 NE1 TRP A 2 -11.597 4.699 -1.647 1.00 0.00 N ATOM 16 CE2 TRP A 2 -10.963 4.960 -0.443 1.00 0.00 C ATOM 17 CE3 TRP A 2 -10.550 3.920 1.750 1.00 0.00 C ATOM 18 CZ2 TRP A 2 -10.262 6.120 -0.033 1.00 0.00 C ATOM 19 CZ3 TRP A 2 -9.860 5.072 2.130 1.00 0.00 C ATOM 20 CH2 TRP A 2 -9.720 6.157 1.252 1.00 0.00 C ATOM 21 H TRP A 2 -12.962 -1.099 0.337 1.00 0.00 H ATOM 22 HA TRP A 2 -10.840 0.589 -0.952 1.00 0.00 H ATOM 23 1HB TRP A 2 -13.306 1.325 -0.147 1.00 0.00 H ATOM 24 2HB TRP A 2 -12.544 1.566 1.399 1.00 0.00 H ATOM 25 HD1 TRP A 2 -12.705 2.895 -2.234 1.00 0.00 H ATOM 26 HE1 TRP A 2 -11.683 5.316 -2.463 1.00 0.00 H ATOM 27 HE3 TRP A 2 -10.657 3.096 2.442 1.00 0.00 H ATOM 28 HZ2 TRP A 2 -10.154 6.967 -0.696 1.00 0.00 H ATOM 29 HZ3 TRP A 2 -9.435 5.137 3.120 1.00 0.00 H ATOM 30 HH2 TRP A 2 -9.192 7.039 1.579 1.00 0.00 H ATOM 31 N ILE A 3 -10.434 -0.445 2.222 1.00 0.00 N ATOM 32 CA ILE A 3 -9.356 -0.984 3.104 1.00 0.00 C ATOM 33 C ILE A 3 -8.426 -2.031 2.413 1.00 0.00 C ATOM 34 O ILE A 3 -7.214 -1.932 2.598 1.00 0.00 O ATOM 35 CB ILE A 3 -9.923 -1.461 4.496 1.00 0.00 C ATOM 36 CG1 ILE A 3 -8.826 -1.740 5.578 1.00 0.00 C ATOM 37 CG2 ILE A 3 -10.897 -2.668 4.413 1.00 0.00 C ATOM 38 CD1 ILE A 3 -8.434 -0.523 6.428 1.00 0.00 C ATOM 39 H ILE A 3 -11.385 -0.826 2.267 1.00 0.00 H ATOM 40 HA ILE A 3 -8.688 -0.124 3.289 1.00 0.00 H ATOM 41 HB ILE A 3 -10.548 -0.634 4.886 1.00 0.00 H ATOM 42 1HG1 ILE A 3 -9.148 -2.531 6.283 1.00 0.00 H ATOM 43 2HG1 ILE A 3 -7.914 -2.159 5.117 1.00 0.00 H ATOM 44 1HG2 ILE A 3 -10.403 -3.599 4.074 1.00 0.00 H ATOM 45 2HG2 ILE A 3 -11.352 -2.885 5.398 1.00 0.00 H ATOM 46 3HG2 ILE A 3 -11.735 -2.476 3.718 1.00 0.00 H ATOM 47 1HD1 ILE A 3 -9.287 -0.156 7.028 1.00 0.00 H ATOM 48 2HD1 ILE A 3 -7.628 -0.785 7.140 1.00 0.00 H ATOM 49 3HD1 ILE A 3 -8.068 0.317 5.810 1.00 0.00 H ATOM 50 N GLN A 4 -8.950 -2.975 1.603 1.00 0.00 N ATOM 51 CA GLN A 4 -8.122 -3.843 0.717 1.00 0.00 C ATOM 52 C GLN A 4 -7.157 -3.085 -0.242 1.00 0.00 C ATOM 53 O GLN A 4 -5.998 -3.489 -0.334 1.00 0.00 O ATOM 54 CB GLN A 4 -9.035 -4.805 -0.098 1.00 0.00 C ATOM 55 CG GLN A 4 -9.703 -5.958 0.685 1.00 0.00 C ATOM 56 CD GLN A 4 -8.795 -7.195 0.860 1.00 0.00 C ATOM 57 OE1 GLN A 4 -7.861 -7.200 1.660 1.00 0.00 O ATOM 58 NE2 GLN A 4 -9.046 -8.262 0.114 1.00 0.00 N ATOM 59 H GLN A 4 -9.973 -2.956 1.535 1.00 0.00 H ATOM 60 HA GLN A 4 -7.479 -4.459 1.377 1.00 0.00 H ATOM 61 1HB GLN A 4 -9.824 -4.213 -0.601 1.00 0.00 H ATOM 62 2HB GLN A 4 -8.468 -5.247 -0.940 1.00 0.00 H ATOM 63 1HG GLN A 4 -10.042 -5.611 1.679 1.00 0.00 H ATOM 64 2HG GLN A 4 -10.637 -6.236 0.159 1.00 0.00 H ATOM 65 1HE2 GLN A 4 -8.416 -9.061 0.229 1.00 0.00 H ATOM 66 2HE2 GLN A 4 -9.856 -8.205 -0.515 1.00 0.00 H HETATM 67 N DIV A 5 -7.617 -2.006 -0.925 1.00 0.00 N HETATM 68 CA DIV A 5 -6.811 -1.141 -1.829 1.00 0.00 C HETATM 69 CB1 DIV A 5 -6.314 -1.985 -3.048 1.00 0.00 C HETATM 70 CG1 DIV A 5 -7.310 -2.525 -4.092 1.00 0.00 C HETATM 71 CB2 DIV A 5 -7.789 -0.037 -2.334 1.00 0.00 C HETATM 72 C DIV A 5 -5.612 -0.439 -1.069 1.00 0.00 C HETATM 73 O DIV A 5 -4.447 -0.601 -1.449 1.00 0.00 O HETATM 74 2HN DIV A 5 -8.541 -1.679 -0.656 1.00 0.00 H HETATM 75 1HB1 DIV A 5 -5.587 -1.356 -3.548 1.00 0.00 H HETATM 76 2HB1 DIV A 5 -5.707 -2.838 -2.704 1.00 0.00 H HETATM 77 1HG1 DIV A 5 -7.840 -1.710 -4.618 1.00 0.00 H HETATM 78 2HG1 DIV A 5 -6.781 -3.112 -4.865 1.00 0.00 H HETATM 79 3HG1 DIV A 5 -8.069 -3.182 -3.628 1.00 0.00 H HETATM 80 1HB2 DIV A 5 -8.204 0.573 -1.513 1.00 0.00 H HETATM 81 2HB2 DIV A 5 -7.300 0.669 -3.030 1.00 0.00 H HETATM 82 3HB2 DIV A 5 -8.663 -0.455 -2.865 1.00 0.00 H ATOM 83 N ILE A 6 -5.881 0.295 0.035 1.00 0.00 N ATOM 84 CA ILE A 6 -4.819 0.857 0.930 1.00 0.00 C ATOM 85 C ILE A 6 -3.909 -0.229 1.619 1.00 0.00 C ATOM 86 O ILE A 6 -2.754 0.082 1.923 1.00 0.00 O ATOM 87 CB ILE A 6 -5.456 1.912 1.914 1.00 0.00 C ATOM 88 CG1 ILE A 6 -6.202 3.098 1.215 1.00 0.00 C ATOM 89 CG2 ILE A 6 -4.469 2.492 2.963 1.00 0.00 C ATOM 90 CD1 ILE A 6 -5.357 4.018 0.313 1.00 0.00 C ATOM 91 H ILE A 6 -6.873 0.319 0.294 1.00 0.00 H ATOM 92 HA ILE A 6 -4.122 1.422 0.280 1.00 0.00 H ATOM 93 HB ILE A 6 -6.226 1.377 2.505 1.00 0.00 H ATOM 94 1HG1 ILE A 6 -7.040 2.703 0.611 1.00 0.00 H ATOM 95 2HG1 ILE A 6 -6.702 3.722 1.980 1.00 0.00 H ATOM 96 1HG2 ILE A 6 -3.584 2.952 2.487 1.00 0.00 H ATOM 97 2HG2 ILE A 6 -4.939 3.262 3.604 1.00 0.00 H ATOM 98 3HG2 ILE A 6 -4.098 1.708 3.648 1.00 0.00 H ATOM 99 1HD1 ILE A 6 -4.912 3.468 -0.536 1.00 0.00 H ATOM 100 2HD1 ILE A 6 -5.970 4.831 -0.112 1.00 0.00 H ATOM 101 3HD1 ILE A 6 -4.528 4.494 0.868 1.00 0.00 H ATOM 102 N THR A 7 -4.390 -1.473 1.826 1.00 0.00 N ATOM 103 CA THR A 7 -3.568 -2.610 2.322 1.00 0.00 C ATOM 104 C THR A 7 -2.613 -3.212 1.254 1.00 0.00 C ATOM 105 O THR A 7 -1.463 -3.462 1.613 1.00 0.00 O ATOM 106 CB THR A 7 -4.468 -3.660 3.033 1.00 0.00 C ATOM 107 OG1 THR A 7 -5.140 -3.044 4.127 1.00 0.00 O ATOM 108 CG2 THR A 7 -3.735 -4.885 3.608 1.00 0.00 C ATOM 109 H THR A 7 -5.343 -1.621 1.467 1.00 0.00 H ATOM 110 HA THR A 7 -2.900 -2.208 3.100 1.00 0.00 H ATOM 111 HB THR A 7 -5.229 -4.028 2.321 1.00 0.00 H ATOM 112 HG1 THR A 7 -5.599 -2.285 3.759 1.00 0.00 H ATOM 113 1HG2 THR A 7 -4.423 -5.526 4.189 1.00 0.00 H ATOM 114 2HG2 THR A 7 -3.306 -5.516 2.806 1.00 0.00 H ATOM 115 3HG2 THR A 7 -2.904 -4.593 4.279 1.00 0.00 H HETATM 116 N AIB A 8 -3.022 -3.435 -0.017 1.00 0.00 N HETATM 117 CA AIB A 8 -2.081 -3.745 -1.151 1.00 0.00 C HETATM 118 C AIB A 8 -0.930 -2.679 -1.345 1.00 0.00 C HETATM 119 O1 AIB A 8 0.235 -3.019 -1.589 1.00 0.00 O HETATM 120 CB1 AIB A 8 -2.940 -3.763 -2.443 1.00 0.00 C HETATM 121 CB2 AIB A 8 -1.510 -5.183 -0.977 1.00 0.00 C HETATM 122 2HN AIB A 8 -3.975 -3.095 -0.200 1.00 0.00 H HETATM 123 1HB1 AIB A 8 -3.397 -2.777 -2.653 1.00 0.00 H HETATM 124 2HB1 AIB A 8 -2.336 -4.021 -3.334 1.00 0.00 H HETATM 125 3HB1 AIB A 8 -3.769 -4.496 -2.396 1.00 0.00 H HETATM 126 1HB2 AIB A 8 -2.303 -5.946 -0.868 1.00 0.00 H HETATM 127 2HB2 AIB A 8 -0.883 -5.487 -1.836 1.00 0.00 H HETATM 128 3HB2 AIB A 8 -0.862 -5.266 -0.084 1.00 0.00 H ATOM 129 N LEU A 9 -1.266 -1.380 -1.215 1.00 0.00 N ATOM 130 CA LEU A 9 -0.296 -0.259 -1.259 1.00 0.00 C ATOM 131 C LEU A 9 0.525 0.000 0.050 1.00 0.00 C ATOM 132 O LEU A 9 1.522 0.725 -0.035 1.00 0.00 O ATOM 133 CB LEU A 9 -1.075 0.997 -1.738 1.00 0.00 C ATOM 134 CG LEU A 9 -1.457 0.993 -3.251 1.00 0.00 C ATOM 135 CD1 LEU A 9 -2.729 1.819 -3.527 1.00 0.00 C ATOM 136 CD2 LEU A 9 -0.282 1.445 -4.144 1.00 0.00 C ATOM 137 H LEU A 9 -2.261 -1.205 -1.029 1.00 0.00 H ATOM 138 HA LEU A 9 0.456 -0.473 -2.038 1.00 0.00 H ATOM 139 1HB LEU A 9 -1.980 1.117 -1.110 1.00 0.00 H ATOM 140 2HB LEU A 9 -0.480 1.903 -1.525 1.00 0.00 H ATOM 141 HG LEU A 9 -1.714 -0.039 -3.554 1.00 0.00 H ATOM 142 1HD1 LEU A 9 -2.611 2.882 -3.241 1.00 0.00 H ATOM 143 2HD1 LEU A 9 -3.008 1.786 -4.598 1.00 0.00 H ATOM 144 3HD1 LEU A 9 -3.598 1.422 -2.966 1.00 0.00 H ATOM 145 1HD2 LEU A 9 0.617 0.820 -3.979 1.00 0.00 H ATOM 146 2HD2 LEU A 9 -0.528 1.364 -5.220 1.00 0.00 H ATOM 147 3HD2 LEU A 9 0.011 2.494 -3.947 1.00 0.00 H HETATM 148 N AIB A 10 0.160 -0.572 1.231 1.00 0.00 N HETATM 149 CA AIB A 10 0.943 -0.487 2.508 1.00 0.00 C HETATM 150 C AIB A 10 2.405 -1.100 2.373 1.00 0.00 C HETATM 151 O1 AIB A 10 3.353 -0.362 2.655 1.00 0.00 O HETATM 152 CB1 AIB A 10 0.128 -1.235 3.600 1.00 0.00 C HETATM 153 CB2 AIB A 10 0.959 1.003 2.984 1.00 0.00 C HETATM 154 2HN AIB A 10 -0.611 -1.249 1.138 1.00 0.00 H HETATM 155 1HB1 AIB A 10 -0.080 -2.290 3.350 1.00 0.00 H HETATM 156 2HB1 AIB A 10 0.646 -1.252 4.579 1.00 0.00 H HETATM 157 3HB1 AIB A 10 -0.863 -0.774 3.784 1.00 0.00 H HETATM 158 1HB2 AIB A 10 -0.054 1.445 3.040 1.00 0.00 H HETATM 159 2HB2 AIB A 10 1.423 1.127 3.981 1.00 0.00 H HETATM 160 3HB2 AIB A 10 1.541 1.648 2.302 1.00 0.00 H HETATM 161 N HYP A 11 2.696 -2.360 1.898 1.00 0.00 N HETATM 162 CA HYP A 11 4.065 -2.782 1.485 1.00 0.00 C HETATM 163 C HYP A 11 4.699 -2.089 0.231 1.00 0.00 C HETATM 164 O HYP A 11 5.896 -2.298 0.008 1.00 0.00 O HETATM 165 CB HYP A 11 3.925 -4.305 1.300 1.00 0.00 C HETATM 166 CG HYP A 11 2.464 -4.526 0.922 1.00 0.00 C HETATM 167 CD HYP A 11 1.722 -3.448 1.713 1.00 0.00 C HETATM 168 OD HYP A 11 2.017 -5.824 1.299 1.00 0.00 O HETATM 169 HA HYP A 11 4.750 -2.609 2.336 1.00 0.00 H HETATM 170 1HB HYP A 11 4.618 -4.725 0.551 1.00 0.00 H HETATM 171 2HB HYP A 11 4.146 -4.827 2.248 1.00 0.00 H HETATM 172 1HD HYP A 11 0.831 -3.123 1.157 1.00 0.00 H HETATM 173 2HD HYP A 11 1.412 -3.835 2.703 1.00 0.00 H HETATM 174 HOD HYP A 11 1.132 -5.710 1.654 1.00 0.00 H HETATM 175 HG HYP A 11 2.323 -4.376 -0.168 1.00 0.00 H ATOM 176 N GLN A 12 3.967 -1.241 -0.531 1.00 0.00 N ATOM 177 CA GLN A 12 4.564 -0.331 -1.546 1.00 0.00 C ATOM 178 C GLN A 12 4.893 1.115 -1.053 1.00 0.00 C ATOM 179 O GLN A 12 5.225 1.949 -1.894 1.00 0.00 O ATOM 180 CB GLN A 12 3.670 -0.270 -2.817 1.00 0.00 C ATOM 181 CG GLN A 12 3.325 -1.625 -3.463 1.00 0.00 C ATOM 182 CD GLN A 12 2.650 -1.495 -4.841 1.00 0.00 C ATOM 183 OE1 GLN A 12 3.199 -0.930 -5.786 1.00 0.00 O ATOM 184 NE2 GLN A 12 1.454 -2.030 -4.999 1.00 0.00 N ATOM 185 H GLN A 12 3.015 -1.050 -0.211 1.00 0.00 H ATOM 186 HA GLN A 12 5.549 -0.739 -1.832 1.00 0.00 H ATOM 187 1HB GLN A 12 2.729 0.263 -2.591 1.00 0.00 H ATOM 188 2HB GLN A 12 4.181 0.358 -3.565 1.00 0.00 H ATOM 189 1HG GLN A 12 4.245 -2.232 -3.556 1.00 0.00 H ATOM 190 2HG GLN A 12 2.681 -2.174 -2.741 1.00 0.00 H ATOM 191 1HE2 GLN A 12 1.069 -1.959 -5.948 1.00 0.00 H ATOM 192 2HE2 GLN A 12 1.065 -2.535 -4.195 1.00 0.00 H HETATM 193 N AIB A 13 4.876 1.396 0.271 1.00 0.00 N HETATM 194 CA AIB A 13 5.691 2.452 0.954 1.00 0.00 C HETATM 195 C AIB A 13 7.181 1.881 1.154 1.00 0.00 C HETATM 196 O1 AIB A 13 8.116 2.440 0.558 1.00 0.00 O HETATM 197 CB1 AIB A 13 4.942 2.789 2.284 1.00 0.00 C HETATM 198 CB2 AIB A 13 5.658 3.817 0.204 1.00 0.00 C HETATM 199 2HN AIB A 13 4.544 0.594 0.819 1.00 0.00 H HETATM 200 1HB1 AIB A 13 4.503 1.916 2.795 1.00 0.00 H HETATM 201 2HB1 AIB A 13 5.600 3.296 3.016 1.00 0.00 H HETATM 202 3HB1 AIB A 13 4.070 3.455 2.132 1.00 0.00 H HETATM 203 1HB2 AIB A 13 4.625 4.088 -0.090 1.00 0.00 H HETATM 204 2HB2 AIB A 13 6.046 4.641 0.826 1.00 0.00 H HETATM 205 3HB2 AIB A 13 6.265 3.799 -0.717 1.00 0.00 H HETATM 206 N HYP A 14 7.491 0.757 1.891 1.00 0.00 N HETATM 207 CA HYP A 14 8.869 0.223 2.036 1.00 0.00 C HETATM 208 C HYP A 14 9.556 -0.378 0.779 1.00 0.00 C HETATM 209 O HYP A 14 10.763 -0.164 0.643 1.00 0.00 O HETATM 210 CB HYP A 14 8.770 -0.811 3.176 1.00 0.00 C HETATM 211 CG HYP A 14 7.287 -1.122 3.396 1.00 0.00 C HETATM 212 CD HYP A 14 6.516 -0.050 2.632 1.00 0.00 C HETATM 213 OD HYP A 14 6.969 -1.084 4.782 1.00 0.00 O HETATM 214 HA HYP A 14 9.515 1.046 2.396 1.00 0.00 H HETATM 215 1HB HYP A 14 9.322 -1.746 2.956 1.00 0.00 H HETATM 216 2HB HYP A 14 9.223 -0.399 4.097 1.00 0.00 H HETATM 217 1HD HYP A 14 5.804 -0.513 1.942 1.00 0.00 H HETATM 218 2HD HYP A 14 5.931 0.566 3.312 1.00 0.00 H HETATM 219 HOD HYP A 14 7.236 -0.212 5.080 1.00 0.00 H HETATM 220 HG HYP A 14 7.034 -2.124 2.998 1.00 0.00 H HETATM 221 N AIB A 15 8.855 -1.130 -0.112 1.00 0.00 N HETATM 222 CA AIB A 15 9.452 -1.727 -1.352 1.00 0.00 C HETATM 223 C AIB A 15 10.136 -0.660 -2.312 1.00 0.00 C HETATM 224 O1 AIB A 15 11.277 -0.898 -2.727 1.00 0.00 O HETATM 225 CB1 AIB A 15 8.337 -2.502 -2.102 1.00 0.00 C HETATM 226 CB2 AIB A 15 10.476 -2.814 -0.907 1.00 0.00 C HETATM 227 2HN AIB A 15 7.834 -1.027 -0.054 1.00 0.00 H HETATM 228 1HB1 AIB A 15 7.478 -1.872 -2.387 1.00 0.00 H HETATM 229 2HB1 AIB A 15 8.711 -2.958 -3.039 1.00 0.00 H HETATM 230 3HB1 AIB A 15 7.913 -3.325 -1.493 1.00 0.00 H HETATM 231 1HB2 AIB A 15 10.050 -3.531 -0.180 1.00 0.00 H HETATM 232 2HB2 AIB A 15 10.862 -3.393 -1.767 1.00 0.00 H HETATM 233 3HB2 AIB A 15 11.361 -2.359 -0.421 1.00 0.00 H ATOM 234 N PRO A 16 9.570 0.545 -2.643 1.00 0.00 N ATOM 235 CA PRO A 16 10.362 1.681 -3.180 1.00 0.00 C ATOM 236 C PRO A 16 11.315 2.420 -2.202 1.00 0.00 C ATOM 237 O PRO A 16 12.335 2.933 -2.669 1.00 0.00 O ATOM 238 CB PRO A 16 9.294 2.590 -3.808 1.00 0.00 C ATOM 239 CG PRO A 16 8.010 2.311 -3.029 1.00 0.00 C ATOM 240 CD PRO A 16 8.159 0.906 -2.431 1.00 0.00 C ATOM 241 HA PRO A 16 11.012 1.301 -3.972 1.00 0.00 H ATOM 242 1HB PRO A 16 9.562 3.662 -3.787 1.00 0.00 H ATOM 243 2HB PRO A 16 9.145 2.329 -4.873 1.00 0.00 H ATOM 244 1HG PRO A 16 7.896 3.055 -2.219 1.00 0.00 H ATOM 245 2HG PRO A 16 7.114 2.399 -3.672 1.00 0.00 H ATOM 246 1HD PRO A 16 7.893 0.926 -1.365 1.00 0.00 H ATOM 247 2HD PRO A 16 7.482 0.173 -2.887 1.00 0.00 H HETATM 248 N PHL A 17 10.988 2.496 -0.897 1.00 0.00 N HETATM 249 CA PHL A 17 11.734 3.361 0.056 1.00 0.00 C HETATM 250 C PHL A 17 12.358 2.513 1.189 1.00 0.00 C HETATM 251 O PHL A 17 13.370 3.245 1.871 1.00 0.00 O HETATM 252 CB PHL A 17 10.792 4.462 0.608 1.00 0.00 C HETATM 253 CG PHL A 17 10.103 5.405 -0.406 1.00 0.00 C HETATM 254 CD1 PHL A 17 10.812 6.029 -1.442 1.00 0.00 C HETATM 255 CD2 PHL A 17 8.726 5.630 -0.300 1.00 0.00 C HETATM 256 CE1 PHL A 17 10.150 6.840 -2.364 1.00 0.00 C HETATM 257 CE2 PHL A 17 8.064 6.437 -1.223 1.00 0.00 C HETATM 258 CZ PHL A 17 8.780 7.043 -2.249 1.00 0.00 C HETATM 259 H1 PHL A 17 12.824 1.594 0.786 1.00 0.00 H HETATM 260 H2 PHL A 17 11.591 2.188 1.921 1.00 0.00 H HETATM 261 HO PHL A 17 12.980 4.084 2.115 1.00 0.00 H HETATM 262 HA PHL A 17 12.579 3.868 -0.454 1.00 0.00 H HETATM 263 2HN PHL A 17 10.095 2.033 -0.665 1.00 0.00 H HETATM 264 1HB PHL A 17 10.025 3.938 1.213 1.00 0.00 H HETATM 265 2HB PHL A 17 11.351 5.086 1.333 1.00 0.00 H HETATM 266 HD1 PHL A 17 11.874 5.865 -1.553 1.00 0.00 H HETATM 267 HD2 PHL A 17 8.165 5.170 0.497 1.00 0.00 H HETATM 268 HE1 PHL A 17 10.698 7.298 -3.174 1.00 0.00 H HETATM 269 HE2 PHL A 17 6.997 6.582 -1.145 1.00 0.00 H HETATM 270 HZ PHL A 17 8.264 7.672 -2.965 1.00 0.00 H TER 271 PHL A 17 ENDMDL CONECT 1 2 3 CONECT 2 1 CONECT 3 1 4 5 6 CONECT 4 3 CONECT 5 3 CONECT 6 3 CONECT 67 68 74 CONECT 68 67 69 71 72 CONECT 69 68 70 75 76 CONECT 70 69 77 78 79 CONECT 71 68 80 81 82 CONECT 72 68 73 CONECT 73 72 CONECT 74 67 CONECT 75 69 CONECT 76 69 CONECT 77 70 CONECT 78 70 CONECT 79 70 CONECT 80 71 CONECT 81 71 CONECT 82 71 CONECT 116 117 122 CONECT 117 116 118 120 121 CONECT 118 117 119 CONECT 119 118 CONECT 120 117 123 124 125 CONECT 121 117 126 127 128 CONECT 122 116 CONECT 123 120 CONECT 124 120 CONECT 125 120 CONECT 126 121 CONECT 127 121 CONECT 128 121 CONECT 148 149 154 CONECT 149 148 150 152 153 CONECT 150 149 151 CONECT 151 150 CONECT 152 149 155 156 157 CONECT 153 149 158 159 160 CONECT 154 148 CONECT 155 152 CONECT 156 152 CONECT 157 152 CONECT 158 153 CONECT 159 153 CONECT 160 153 CONECT 161 162 167 CONECT 162 161 163 165 169 CONECT 163 162 164 CONECT 164 163 CONECT 165 162 166 170 171 CONECT 166 165 167 168 175 CONECT 167 161 166 172 173 CONECT 168 166 174 CONECT 169 162 CONECT 170 165 CONECT 171 165 CONECT 172 167 CONECT 173 167 CONECT 174 168 CONECT 175 166 CONECT 193 194 199 CONECT 194 193 195 197 198 CONECT 195 194 196 CONECT 196 195 CONECT 197 194 200 201 202 CONECT 198 194 203 204 205 CONECT 199 193 CONECT 200 197 CONECT 201 197 CONECT 202 197 CONECT 203 198 CONECT 204 198 CONECT 205 198 CONECT 206 207 212 CONECT 207 206 208 210 214 CONECT 208 207 209 CONECT 209 208 CONECT 210 207 211 215 216 CONECT 211 210 212 213 220 CONECT 212 206 211 217 218 CONECT 213 211 219 CONECT 214 207 CONECT 215 210 CONECT 216 210 CONECT 217 212 CONECT 218 212 CONECT 219 213 CONECT 220 211 CONECT 221 222 227 CONECT 222 221 223 225 226 CONECT 223 222 224 CONECT 224 223 CONECT 225 222 228 229 230 CONECT 226 222 231 232 233 CONECT 227 221 CONECT 228 225 CONECT 229 225 CONECT 230 225 CONECT 231 226 CONECT 232 226 CONECT 233 226 CONECT 248 249 263 CONECT 249 248 250 252 262 CONECT 250 249 251 259 260 CONECT 251 250 261 CONECT 252 249 253 264 265 CONECT 253 252 254 255 CONECT 254 253 256 266 CONECT 255 253 257 267 CONECT 256 254 258 268 CONECT 257 255 258 269 CONECT 258 256 257 270 CONECT 259 250 CONECT 260 250 CONECT 261 251 CONECT 262 249 CONECT 263 248 CONECT 264 252 CONECT 265 252 CONECT 266 254 CONECT 267 255 CONECT 268 256 CONECT 269 257 CONECT 270 258 MASTER 168 0 9 1 0 0 0 6 5400 20 127 2 END