HEADER NEUROPEPTIDE INHIBITOR 12-AUG-09 SMS20090 TITLE SOLUTION STRUCTURE OF KAAAD, SINGLE ALPHA HELIX TURN COMPND MOL_ID: 1; COMPND 2 MOLECULE: SINGLE TURN HELIX; COMPND 3 CHAIN: A; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 SYNTHETIC: YES; SOURCE 3 ORGANISM_SCIENTIFIC: SYNTHETIC CONSTRUCT; SOURCE 4 ORGANISM_TAXID: 32630; SOURCE 5 OTHER_DETAILS: SYNTHESIZED BY FMOC CHEMISTRY. KEYWDS ALPHA HELIX TURN, NEUROPEPTIDE INHIBITOR EXPDTA SOLUTION NMR NUMMDL 20 AUTHOR H.N.HOANG JRNL AUTH R.S.HARRISON,N.E.SHEPHERD,H.N.HOANG,G.RUIZ-GOMEZ,T.A.HILL, JRNL AUTH 2 R.W.DRIVER,V.S.DESAI,P.R.YOUNG,G.ABBENANTE,D.P.FAIRLIE JRNL TITL DOWNSIZING HUMAN, BACTERIAL, AND VIRAL PROTEINS TO SHORT JRNL TITL 2 WATER-STABLE ALPHA HELICES THAT MAINTAIN BIOLOGICAL POTENCY JRNL REF PROC.NATL.ACAD.SCI.USA V. 107 11686 2010 JRNL REFN ISSN 0027-8424 JRNL PMID 20543141 JRNL DOI 10.1073/PNAS.1002498107 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : X-PLOR_NIH REMARK 3 AUTHORS : SCHWIETERS, KUSZEWSKI, TJANDRA AND CLORE REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 NULL COMPLIES WITH FORMAT V. 3.20, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBJ ON 20-OCT-10. REMARK 100 THE BMRB ID CODE IS SMS20090. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 298 REMARK 210 PH : 4.5 REMARK 210 IONIC STRENGTH : NULL REMARK 210 PRESSURE : NULL REMARK 210 SAMPLE CONTENTS : 10MM SINGLE TURN HELIX; 90% H2O/ REMARK 210 10% D2O REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : 2D 1H-1H NOESY REMARK 210 SPECTROMETER FIELD STRENGTH : 900 MHZ REMARK 210 SPECTROMETER MODEL : AMX REMARK 210 SPECTROMETER MANUFACTURER : BRUKER REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : X-PLOR_NIH REMARK 210 METHOD USED : SIMULATED ANNEALING REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 50 REMARK 210 CONFORMERS, NUMBER SUBMITTED : 20 REMARK 210 CONFORMERS, SELECTION CRITERIA : BACK CALCULATED DATA AGREE WITH REMARK 210 EXPERIMENTAL NOESY SPECTRUM REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : 1 REMARK 210 REMARK 210 REMARK: NULL REMARK 215 REMARK 215 NMR STUDY REMARK 215 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM SOLUTION REMARK 215 NMR DATA. PROTEIN DATA BANK CONVENTIONS REQUIRE THAT REMARK 215 CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES ON REMARK 215 THESE RECORDS ARE MEANINGLESS. REMARK 300 REMARK 300 BIOMOLECULE: 1 REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON REMARK 300 BURIED SURFACE AREA. REMARK 350 REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. REMARK 350 REMARK 350 BIOMOLECULE: 1 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC REMARK 350 APPLY THE FOLLOWING TO CHAINS: A REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 20090 RELATED DB: BMRB REMARK 900 RELATED ID: 20091 RELATED DB: BMRB REMARK 900 RSV_1NAL REMARK 900 RELATED ID: 20092 RELATED DB: BMRB REMARK 900 CSP REMARK 900 RELATED ID: 20093 RELATED DB: BMRB REMARK 900 REV-HIV DBREF A 2 6 BMRB SMS20090 SMS20090 1 5 SEQADV ACE A 1 BMRB SMS20090 ACETYLATION SEQADV NH2 A 7 BMRB SMS20090 AMIDATION SEQRES 1 A 7 ACE LYS ALA ALA ALA ASP NH2 HET ACE A 1 6 HET NH2 A 7 3 HETNAM ACE ACETYL GROUP HETNAM NH2 AMINO GROUP FORMUL 1 ACE C2 H4 O FORMUL 1 NH2 H2 N LINK NZ LYS A 2 CG ASP A 6 1555 1555 1.33 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 -18.788 -29.598 47.540 1.00 0.00 C HETATM 2 O ACE A 1 -19.172 -28.945 46.567 1.00 0.00 O HETATM 3 CH3 ACE A 1 -18.805 -31.000 47.507 1.00 0.00 C HETATM 4 H1 ACE A 1 -17.804 -31.377 47.653 1.00 0.00 H HETATM 5 H2 ACE A 1 -19.173 -31.334 46.549 1.00 0.00 H HETATM 6 H3 ACE A 1 -19.450 -31.369 48.292 1.00 0.00 H ATOM 7 N LYS A 2 -18.341 -29.024 48.660 1.00 0.00 N ATOM 8 CA LYS A 2 -18.277 -27.570 48.810 1.00 0.00 C ATOM 9 C LYS A 2 -17.290 -26.950 47.820 1.00 0.00 C ATOM 10 O LYS A 2 -17.589 -25.932 47.195 1.00 0.00 O ATOM 11 CB LYS A 2 -17.886 -27.193 50.245 1.00 0.00 C ATOM 12 CG LYS A 2 -17.677 -25.699 50.444 1.00 0.00 C ATOM 13 CD LYS A 2 -18.947 -24.910 50.159 1.00 0.00 C ATOM 14 CE LYS A 2 -18.647 -23.439 49.917 1.00 0.00 C ATOM 15 NZ LYS A 2 -17.876 -23.238 48.690 1.00 0.00 N1+ ATOM 16 H LYS A 2 -18.047 -29.593 49.403 1.00 0.00 H ATOM 17 HA LYS A 2 -19.260 -27.178 48.604 1.00 0.00 H ATOM 18 HB2 LYS A 2 -18.666 -27.519 50.916 1.00 0.00 H ATOM 19 HB3 LYS A 2 -16.967 -27.701 50.501 1.00 0.00 H ATOM 20 HG2 LYS A 2 -17.378 -25.522 51.466 1.00 0.00 H ATOM 21 HG3 LYS A 2 -16.897 -25.363 49.777 1.00 0.00 H ATOM 22 HD2 LYS A 2 -19.424 -25.318 49.281 1.00 0.00 H ATOM 23 HD3 LYS A 2 -19.611 -24.999 51.006 1.00 0.00 H ATOM 24 HE2 LYS A 2 -19.581 -22.903 49.838 1.00 0.00 H ATOM 25 HE3 LYS A 2 -18.082 -23.057 50.754 1.00 0.00 H ATOM 26 HZ1 LYS A 2 -17.054 -23.762 48.581 1.00 0.00 H ATOM 27 N ALA A 3 -16.115 -27.568 47.688 1.00 0.00 N ATOM 28 CA ALA A 3 -15.080 -27.077 46.776 1.00 0.00 C ATOM 29 C ALA A 3 -15.612 -26.940 45.351 1.00 0.00 C ATOM 30 O ALA A 3 -15.358 -25.939 44.680 1.00 0.00 O ATOM 31 CB ALA A 3 -13.869 -28.000 46.802 1.00 0.00 C ATOM 32 H ALA A 3 -15.939 -28.374 48.218 1.00 0.00 H ATOM 33 HA ALA A 3 -14.767 -26.105 47.125 1.00 0.00 H ATOM 34 HB1 ALA A 3 -13.109 -27.616 46.138 1.00 0.00 H ATOM 35 HB2 ALA A 3 -14.162 -28.988 46.480 1.00 0.00 H ATOM 36 HB3 ALA A 3 -13.477 -28.051 47.807 1.00 0.00 H ATOM 37 N ALA A 4 -16.355 -27.950 44.899 1.00 0.00 N ATOM 38 CA ALA A 4 -16.932 -27.945 43.556 1.00 0.00 C ATOM 39 C ALA A 4 -18.039 -26.898 43.425 1.00 0.00 C ATOM 40 O ALA A 4 -18.139 -26.217 42.403 1.00 0.00 O ATOM 41 CB ALA A 4 -17.468 -29.326 43.205 1.00 0.00 C ATOM 42 H ALA A 4 -16.523 -28.716 45.486 1.00 0.00 H ATOM 43 HA ALA A 4 -16.145 -27.705 42.860 1.00 0.00 H ATOM 44 HB1 ALA A 4 -16.667 -30.048 43.264 1.00 0.00 H ATOM 45 HB2 ALA A 4 -17.868 -29.313 42.202 1.00 0.00 H ATOM 46 HB3 ALA A 4 -18.248 -29.598 43.901 1.00 0.00 H ATOM 47 N ALA A 5 -18.869 -26.782 44.463 1.00 0.00 N ATOM 48 CA ALA A 5 -19.978 -25.827 44.468 1.00 0.00 C ATOM 49 C ALA A 5 -19.488 -24.384 44.343 1.00 0.00 C ATOM 50 O ALA A 5 -19.940 -23.644 43.468 1.00 0.00 O ATOM 51 CB ALA A 5 -20.812 -25.993 45.731 1.00 0.00 C ATOM 52 H ALA A 5 -18.736 -27.360 45.243 1.00 0.00 H ATOM 53 HA ALA A 5 -20.608 -26.051 43.623 1.00 0.00 H ATOM 54 HB1 ALA A 5 -21.204 -26.999 45.774 1.00 0.00 H ATOM 55 HB2 ALA A 5 -21.630 -25.289 45.718 1.00 0.00 H ATOM 56 HB3 ALA A 5 -20.194 -25.811 46.598 1.00 0.00 H ATOM 57 N ASP A 6 -18.565 -23.990 45.221 1.00 0.00 N ATOM 58 CA ASP A 6 -18.018 -22.632 45.205 1.00 0.00 C ATOM 59 C ASP A 6 -17.066 -22.436 44.026 1.00 0.00 C ATOM 60 O ASP A 6 -17.256 -21.537 43.207 1.00 0.00 O ATOM 61 CB ASP A 6 -17.298 -22.321 46.522 1.00 0.00 C ATOM 62 CG ASP A 6 -18.226 -22.390 47.723 1.00 0.00 C ATOM 63 OD1 ASP A 6 -19.240 -21.692 47.776 1.00 0.00 O ATOM 64 H ASP A 6 -18.246 -24.627 45.894 1.00 0.00 H ATOM 65 HA ASP A 6 -18.847 -21.949 45.093 1.00 0.00 H ATOM 66 HB2 ASP A 6 -16.500 -23.034 46.666 1.00 0.00 H ATOM 67 HB3 ASP A 6 -16.880 -21.326 46.470 1.00 0.00 H HETATM 68 N NH2 A 7 -16.039 -23.277 43.938 1.00 0.00 N HETATM 69 HN1 NH2 A 7 -15.946 -23.971 44.624 1.00 0.00 H HETATM 70 HN2 NH2 A 7 -15.417 -23.169 43.189 1.00 0.00 H TER 71 NH2 A 7 ENDMDL MODEL 2 HETATM 1 C ACE A 1 -18.789 -29.598 47.539 1.00 0.00 C HETATM 2 O ACE A 1 -19.172 -28.944 46.566 1.00 0.00 O HETATM 3 CH3 ACE A 1 -18.806 -30.999 47.505 1.00 0.00 C HETATM 4 H1 ACE A 1 -19.452 -31.371 48.285 1.00 0.00 H HETATM 5 H2 ACE A 1 -17.807 -31.376 47.663 1.00 0.00 H HETATM 6 H3 ACE A 1 -19.170 -31.331 46.542 1.00 0.00 H ATOM 7 N LYS A 2 -18.342 -29.024 48.659 1.00 0.00 N ATOM 8 CA LYS A 2 -18.277 -27.570 48.810 1.00 0.00 C ATOM 9 C LYS A 2 -17.290 -26.950 47.820 1.00 0.00 C ATOM 10 O LYS A 2 -17.589 -25.931 47.194 1.00 0.00 O ATOM 11 CB LYS A 2 -17.886 -27.193 50.244 1.00 0.00 C ATOM 12 CG LYS A 2 -17.677 -25.699 50.444 1.00 0.00 C ATOM 13 CD LYS A 2 -18.946 -24.911 50.159 1.00 0.00 C ATOM 14 CE LYS A 2 -18.646 -23.439 49.917 1.00 0.00 C ATOM 15 NZ LYS A 2 -17.875 -23.238 48.689 1.00 0.00 N1+ ATOM 16 H LYS A 2 -18.048 -29.593 49.402 1.00 0.00 H ATOM 17 HA LYS A 2 -19.260 -27.177 48.604 1.00 0.00 H ATOM 18 HB2 LYS A 2 -18.667 -27.519 50.915 1.00 0.00 H ATOM 19 HB3 LYS A 2 -16.968 -27.701 50.501 1.00 0.00 H ATOM 20 HG2 LYS A 2 -17.378 -25.522 51.466 1.00 0.00 H ATOM 21 HG3 LYS A 2 -16.896 -25.364 49.777 1.00 0.00 H ATOM 22 HD2 LYS A 2 -19.424 -25.318 49.281 1.00 0.00 H ATOM 23 HD3 LYS A 2 -19.611 -24.998 51.005 1.00 0.00 H ATOM 24 HE2 LYS A 2 -19.580 -22.902 49.838 1.00 0.00 H ATOM 25 HE3 LYS A 2 -18.081 -23.057 50.754 1.00 0.00 H ATOM 26 HZ1 LYS A 2 -17.054 -23.763 48.580 1.00 0.00 H ATOM 27 N ALA A 3 -16.115 -27.568 47.688 1.00 0.00 N ATOM 28 CA ALA A 3 -15.080 -27.077 46.776 1.00 0.00 C ATOM 29 C ALA A 3 -15.612 -26.939 45.351 1.00 0.00 C ATOM 30 O ALA A 3 -15.358 -25.939 44.681 1.00 0.00 O ATOM 31 CB ALA A 3 -13.869 -28.000 46.803 1.00 0.00 C ATOM 32 H ALA A 3 -15.939 -28.373 48.218 1.00 0.00 H ATOM 33 HA ALA A 3 -14.767 -26.105 47.125 1.00 0.00 H ATOM 34 HB1 ALA A 3 -14.162 -28.988 46.480 1.00 0.00 H ATOM 35 HB2 ALA A 3 -13.477 -28.050 47.807 1.00 0.00 H ATOM 36 HB3 ALA A 3 -13.109 -27.615 46.139 1.00 0.00 H ATOM 37 N ALA A 4 -16.355 -27.949 44.899 1.00 0.00 N ATOM 38 CA ALA A 4 -16.932 -27.945 43.556 1.00 0.00 C ATOM 39 C ALA A 4 -18.039 -26.898 43.425 1.00 0.00 C ATOM 40 O ALA A 4 -18.139 -26.217 42.402 1.00 0.00 O ATOM 41 CB ALA A 4 -17.468 -29.326 43.206 1.00 0.00 C ATOM 42 H ALA A 4 -16.522 -28.716 45.486 1.00 0.00 H ATOM 43 HA ALA A 4 -16.145 -27.705 42.860 1.00 0.00 H ATOM 44 HB1 ALA A 4 -17.870 -29.313 42.203 1.00 0.00 H ATOM 45 HB2 ALA A 4 -18.247 -29.598 43.902 1.00 0.00 H ATOM 46 HB3 ALA A 4 -16.666 -30.048 43.262 1.00 0.00 H ATOM 47 N ALA A 5 -18.869 -26.782 44.463 1.00 0.00 N ATOM 48 CA ALA A 5 -19.978 -25.827 44.469 1.00 0.00 C ATOM 49 C ALA A 5 -19.488 -24.384 44.343 1.00 0.00 C ATOM 50 O ALA A 5 -19.940 -23.644 43.468 1.00 0.00 O ATOM 51 CB ALA A 5 -20.811 -25.994 45.732 1.00 0.00 C ATOM 52 H ALA A 5 -18.736 -27.359 45.243 1.00 0.00 H ATOM 53 HA ALA A 5 -20.608 -26.051 43.623 1.00 0.00 H ATOM 54 HB1 ALA A 5 -21.629 -25.289 45.719 1.00 0.00 H ATOM 55 HB2 ALA A 5 -20.193 -25.811 46.599 1.00 0.00 H ATOM 56 HB3 ALA A 5 -21.203 -26.999 45.774 1.00 0.00 H ATOM 57 N ASP A 6 -18.564 -23.991 45.221 1.00 0.00 N ATOM 58 CA ASP A 6 -18.018 -22.633 45.205 1.00 0.00 C ATOM 59 C ASP A 6 -17.066 -22.436 44.026 1.00 0.00 C ATOM 60 O ASP A 6 -17.256 -21.538 43.206 1.00 0.00 O ATOM 61 CB ASP A 6 -17.297 -22.321 46.522 1.00 0.00 C ATOM 62 CG ASP A 6 -18.225 -22.390 47.723 1.00 0.00 C ATOM 63 OD1 ASP A 6 -19.238 -21.691 47.776 1.00 0.00 O ATOM 64 H ASP A 6 -18.245 -24.627 45.894 1.00 0.00 H ATOM 65 HA ASP A 6 -18.847 -21.948 45.093 1.00 0.00 H ATOM 66 HB2 ASP A 6 -16.499 -23.035 46.666 1.00 0.00 H ATOM 67 HB3 ASP A 6 -16.878 -21.326 46.469 1.00 0.00 H HETATM 68 N NH2 A 7 -16.039 -23.276 43.938 1.00 0.00 N HETATM 69 HN1 NH2 A 7 -15.946 -23.969 44.624 1.00 0.00 H HETATM 70 HN2 NH2 A 7 -15.417 -23.168 43.188 1.00 0.00 H TER 71 NH2 A 7 ENDMDL MODEL 3 HETATM 1 C ACE A 1 -19.221 -29.090 47.480 1.00 0.00 C HETATM 2 O ACE A 1 -19.552 -28.280 46.614 1.00 0.00 O HETATM 3 CH3 ACE A 1 -19.520 -30.452 47.331 1.00 0.00 C HETATM 4 H1 ACE A 1 -20.071 -30.603 46.416 1.00 0.00 H HETATM 5 H2 ACE A 1 -20.120 -30.783 48.164 1.00 0.00 H HETATM 6 H3 ACE A 1 -18.601 -31.019 47.298 1.00 0.00 H ATOM 7 N LYS A 2 -18.573 -28.730 48.589 1.00 0.00 N ATOM 8 CA LYS A 2 -18.204 -27.339 48.857 1.00 0.00 C ATOM 9 C LYS A 2 -17.182 -26.835 47.834 1.00 0.00 C ATOM 10 O LYS A 2 -17.391 -25.807 47.193 1.00 0.00 O ATOM 11 CB LYS A 2 -17.643 -27.216 50.283 1.00 0.00 C ATOM 12 CG LYS A 2 -17.128 -25.827 50.660 1.00 0.00 C ATOM 13 CD LYS A 2 -18.250 -24.851 51.015 1.00 0.00 C ATOM 14 CE LYS A 2 -19.074 -24.433 49.802 1.00 0.00 C ATOM 15 NZ LYS A 2 -18.241 -23.895 48.727 1.00 0.00 N1+ ATOM 16 H LYS A 2 -18.334 -29.420 49.246 1.00 0.00 H ATOM 17 HA LYS A 2 -19.096 -26.743 48.779 1.00 0.00 H ATOM 18 HB2 LYS A 2 -18.421 -27.482 50.983 1.00 0.00 H ATOM 19 HB3 LYS A 2 -16.826 -27.916 50.392 1.00 0.00 H ATOM 20 HG2 LYS A 2 -16.475 -25.923 51.514 1.00 0.00 H ATOM 21 HG3 LYS A 2 -16.567 -25.429 49.827 1.00 0.00 H ATOM 22 HD2 LYS A 2 -18.906 -25.322 51.729 1.00 0.00 H ATOM 23 HD3 LYS A 2 -17.812 -23.969 51.459 1.00 0.00 H ATOM 24 HE2 LYS A 2 -19.610 -25.293 49.434 1.00 0.00 H ATOM 25 HE3 LYS A 2 -19.779 -23.676 50.110 1.00 0.00 H ATOM 26 HZ1 LYS A 2 -17.367 -24.313 48.582 1.00 0.00 H ATOM 27 N ALA A 3 -16.081 -27.567 47.688 1.00 0.00 N ATOM 28 CA ALA A 3 -15.023 -27.194 46.746 1.00 0.00 C ATOM 29 C ALA A 3 -15.545 -27.066 45.314 1.00 0.00 C ATOM 30 O ALA A 3 -15.183 -26.130 44.598 1.00 0.00 O ATOM 31 CB ALA A 3 -13.886 -28.205 46.803 1.00 0.00 C ATOM 32 H ALA A 3 -15.975 -28.378 48.227 1.00 0.00 H ATOM 33 HA ALA A 3 -14.631 -26.237 47.056 1.00 0.00 H ATOM 34 HB1 ALA A 3 -14.261 -29.184 46.541 1.00 0.00 H ATOM 35 HB2 ALA A 3 -13.478 -28.232 47.803 1.00 0.00 H ATOM 36 HB3 ALA A 3 -13.113 -27.917 46.106 1.00 0.00 H ATOM 37 N ALA A 4 -16.384 -28.014 44.899 1.00 0.00 N ATOM 38 CA ALA A 4 -16.943 -28.016 43.546 1.00 0.00 C ATOM 39 C ALA A 4 -17.992 -26.919 43.346 1.00 0.00 C ATOM 40 O ALA A 4 -17.975 -26.215 42.335 1.00 0.00 O ATOM 41 CB ALA A 4 -17.541 -29.379 43.227 1.00 0.00 C ATOM 42 H ALA A 4 -16.625 -28.738 45.515 1.00 0.00 H ATOM 43 HA ALA A 4 -16.133 -27.843 42.858 1.00 0.00 H ATOM 44 HB1 ALA A 4 -18.346 -29.590 43.915 1.00 0.00 H ATOM 45 HB2 ALA A 4 -16.778 -30.138 43.321 1.00 0.00 H ATOM 46 HB3 ALA A 4 -17.923 -29.377 42.216 1.00 0.00 H ATOM 47 N ALA A 5 -18.913 -26.797 44.301 1.00 0.00 N ATOM 48 CA ALA A 5 -19.987 -25.802 44.219 1.00 0.00 C ATOM 49 C ALA A 5 -19.458 -24.369 44.257 1.00 0.00 C ATOM 50 O ALA A 5 -19.755 -23.570 43.366 1.00 0.00 O ATOM 51 CB ALA A 5 -20.994 -26.020 45.341 1.00 0.00 C ATOM 52 H ALA A 5 -18.878 -27.400 45.072 1.00 0.00 H ATOM 53 HA ALA A 5 -20.499 -25.953 43.283 1.00 0.00 H ATOM 54 HB1 ALA A 5 -21.403 -27.016 45.269 1.00 0.00 H ATOM 55 HB2 ALA A 5 -21.791 -25.296 45.254 1.00 0.00 H ATOM 56 HB3 ALA A 5 -20.502 -25.901 46.295 1.00 0.00 H ATOM 57 N ASP A 6 -18.685 -24.046 45.292 1.00 0.00 N ATOM 58 CA ASP A 6 -18.128 -22.700 45.446 1.00 0.00 C ATOM 59 C ASP A 6 -17.021 -22.443 44.425 1.00 0.00 C ATOM 60 O ASP A 6 -17.069 -21.467 43.676 1.00 0.00 O ATOM 61 CB ASP A 6 -17.589 -22.499 46.868 1.00 0.00 C ATOM 62 CG ASP A 6 -18.600 -22.890 47.932 1.00 0.00 C ATOM 63 OD1 ASP A 6 -19.683 -22.309 48.024 1.00 0.00 O ATOM 64 H ASP A 6 -18.492 -24.726 45.971 1.00 0.00 H ATOM 65 HA ASP A 6 -18.927 -21.994 45.273 1.00 0.00 H ATOM 66 HB2 ASP A 6 -16.704 -23.103 46.999 1.00 0.00 H ATOM 67 HB3 ASP A 6 -17.335 -21.459 47.005 1.00 0.00 H HETATM 68 N NH2 A 7 -16.020 -23.320 44.392 1.00 0.00 N HETATM 69 HN1 NH2 A 7 -16.044 -24.075 45.018 1.00 0.00 H HETATM 70 HN2 NH2 A 7 -15.300 -23.174 43.745 1.00 0.00 H TER 71 NH2 A 7 ENDMDL MODEL 4 HETATM 1 C ACE A 1 -19.196 -29.105 47.481 1.00 0.00 C HETATM 2 O ACE A 1 -19.497 -28.313 46.588 1.00 0.00 O HETATM 3 CH3 ACE A 1 -19.497 -30.467 47.353 1.00 0.00 C HETATM 4 H1 ACE A 1 -18.775 -31.051 47.904 1.00 0.00 H HETATM 5 H2 ACE A 1 -19.460 -30.751 46.313 1.00 0.00 H HETATM 6 H3 ACE A 1 -20.488 -30.655 47.745 1.00 0.00 H ATOM 7 N LYS A 2 -18.579 -28.725 48.601 1.00 0.00 N ATOM 8 CA LYS A 2 -18.211 -27.330 48.851 1.00 0.00 C ATOM 9 C LYS A 2 -17.177 -26.840 47.834 1.00 0.00 C ATOM 10 O LYS A 2 -17.367 -25.808 47.191 1.00 0.00 O ATOM 11 CB LYS A 2 -17.667 -27.187 50.283 1.00 0.00 C ATOM 12 CG LYS A 2 -17.136 -25.800 50.639 1.00 0.00 C ATOM 13 CD LYS A 2 -18.249 -24.809 50.983 1.00 0.00 C ATOM 14 CE LYS A 2 -19.075 -24.408 49.768 1.00 0.00 C ATOM 15 NZ LYS A 2 -18.245 -23.880 48.686 1.00 0.00 N1+ ATOM 16 H LYS A 2 -18.364 -29.401 49.278 1.00 0.00 H ATOM 17 HA LYS A 2 -19.102 -26.733 48.753 1.00 0.00 H ATOM 18 HB2 LYS A 2 -18.458 -27.428 50.976 1.00 0.00 H ATOM 19 HB3 LYS A 2 -16.863 -27.897 50.416 1.00 0.00 H ATOM 20 HG2 LYS A 2 -16.482 -25.890 51.492 1.00 0.00 H ATOM 21 HG3 LYS A 2 -16.575 -25.418 49.800 1.00 0.00 H ATOM 22 HD2 LYS A 2 -18.904 -25.262 51.711 1.00 0.00 H ATOM 23 HD3 LYS A 2 -17.801 -23.921 51.409 1.00 0.00 H ATOM 24 HE2 LYS A 2 -19.610 -25.273 49.410 1.00 0.00 H ATOM 25 HE3 LYS A 2 -19.783 -23.650 50.068 1.00 0.00 H ATOM 26 HZ1 LYS A 2 -17.386 -24.321 48.523 1.00 0.00 H ATOM 27 N ALA A 3 -16.085 -27.588 47.693 1.00 0.00 N ATOM 28 CA ALA A 3 -15.016 -27.229 46.759 1.00 0.00 C ATOM 29 C ALA A 3 -15.528 -27.073 45.325 1.00 0.00 C ATOM 30 O ALA A 3 -15.152 -26.133 44.625 1.00 0.00 O ATOM 31 CB ALA A 3 -13.902 -28.267 46.809 1.00 0.00 C ATOM 32 H ALA A 3 -15.992 -28.400 48.233 1.00 0.00 H ATOM 33 HA ALA A 3 -14.603 -26.286 47.081 1.00 0.00 H ATOM 34 HB1 ALA A 3 -13.457 -28.269 47.793 1.00 0.00 H ATOM 35 HB2 ALA A 3 -13.150 -28.024 46.074 1.00 0.00 H ATOM 36 HB3 ALA A 3 -14.312 -29.245 46.597 1.00 0.00 H ATOM 37 N ALA A 4 -16.376 -28.006 44.892 1.00 0.00 N ATOM 38 CA ALA A 4 -16.928 -27.981 43.536 1.00 0.00 C ATOM 39 C ALA A 4 -17.990 -26.894 43.355 1.00 0.00 C ATOM 40 O ALA A 4 -17.980 -26.170 42.358 1.00 0.00 O ATOM 41 CB ALA A 4 -17.507 -29.345 43.179 1.00 0.00 C ATOM 42 H ALA A 4 -16.629 -28.735 45.496 1.00 0.00 H ATOM 43 HA ALA A 4 -16.117 -27.781 42.857 1.00 0.00 H ATOM 44 HB1 ALA A 4 -18.513 -29.223 42.805 1.00 0.00 H ATOM 45 HB2 ALA A 4 -17.524 -29.972 44.059 1.00 0.00 H ATOM 46 HB3 ALA A 4 -16.894 -29.807 42.419 1.00 0.00 H ATOM 47 N ALA A 5 -18.912 -26.799 44.312 1.00 0.00 N ATOM 48 CA ALA A 5 -19.996 -25.816 44.250 1.00 0.00 C ATOM 49 C ALA A 5 -19.479 -24.378 44.267 1.00 0.00 C ATOM 50 O ALA A 5 -19.803 -23.587 43.380 1.00 0.00 O ATOM 51 CB ALA A 5 -20.975 -26.036 45.396 1.00 0.00 C ATOM 52 H ALA A 5 -18.871 -27.415 45.072 1.00 0.00 H ATOM 53 HA ALA A 5 -20.529 -25.977 43.326 1.00 0.00 H ATOM 54 HB1 ALA A 5 -21.788 -25.330 45.316 1.00 0.00 H ATOM 55 HB2 ALA A 5 -20.465 -25.893 46.337 1.00 0.00 H ATOM 56 HB3 ALA A 5 -21.365 -27.042 45.347 1.00 0.00 H ATOM 57 N ASP A 6 -18.686 -24.045 45.283 1.00 0.00 N ATOM 58 CA ASP A 6 -18.133 -22.694 45.420 1.00 0.00 C ATOM 59 C ASP A 6 -17.036 -22.440 44.386 1.00 0.00 C ATOM 60 O ASP A 6 -17.074 -21.446 43.660 1.00 0.00 O ATOM 61 CB ASP A 6 -17.583 -22.480 46.834 1.00 0.00 C ATOM 62 CG ASP A 6 -18.588 -22.856 47.909 1.00 0.00 C ATOM 63 OD1 ASP A 6 -19.652 -22.247 48.024 1.00 0.00 O ATOM 64 H ASP A 6 -18.470 -24.719 45.960 1.00 0.00 H ATOM 65 HA ASP A 6 -18.937 -21.994 45.248 1.00 0.00 H ATOM 66 HB2 ASP A 6 -16.698 -23.085 46.966 1.00 0.00 H ATOM 67 HB3 ASP A 6 -17.324 -21.439 46.958 1.00 0.00 H HETATM 68 N NH2 A 7 -16.056 -23.337 44.318 1.00 0.00 N HETATM 69 HN1 NH2 A 7 -16.087 -24.107 44.926 1.00 0.00 H HETATM 70 HN2 NH2 A 7 -15.342 -23.192 43.664 1.00 0.00 H TER 71 NH2 A 7 ENDMDL MODEL 5 HETATM 1 C ACE A 1 -19.020 -29.074 47.673 1.00 0.00 C HETATM 2 O ACE A 1 -19.223 -28.543 46.581 1.00 0.00 O HETATM 3 CH3 ACE A 1 -19.275 -30.441 47.858 1.00 0.00 C HETATM 4 H1 ACE A 1 -19.690 -30.857 46.952 1.00 0.00 H HETATM 5 H2 ACE A 1 -19.981 -30.572 48.663 1.00 0.00 H HETATM 6 H3 ACE A 1 -18.351 -30.949 48.100 1.00 0.00 H ATOM 7 N LYS A 2 -18.556 -28.399 48.727 1.00 0.00 N ATOM 8 CA LYS A 2 -18.252 -26.968 48.658 1.00 0.00 C ATOM 9 C LYS A 2 -17.112 -26.671 47.685 1.00 0.00 C ATOM 10 O LYS A 2 -17.137 -25.655 46.993 1.00 0.00 O ATOM 11 CB LYS A 2 -17.914 -26.420 50.048 1.00 0.00 C ATOM 12 CG LYS A 2 -19.137 -26.165 50.916 1.00 0.00 C ATOM 13 CD LYS A 2 -20.121 -25.193 50.264 1.00 0.00 C ATOM 14 CE LYS A 2 -19.587 -23.765 50.204 1.00 0.00 C ATOM 15 NZ LYS A 2 -18.626 -23.553 49.117 1.00 0.00 N1+ ATOM 16 H LYS A 2 -18.413 -28.874 49.572 1.00 0.00 H ATOM 17 HA LYS A 2 -19.138 -26.469 48.299 1.00 0.00 H ATOM 18 HB2 LYS A 2 -17.285 -27.136 50.557 1.00 0.00 H ATOM 19 HB3 LYS A 2 -17.372 -25.496 49.942 1.00 0.00 H ATOM 20 HG2 LYS A 2 -19.641 -27.103 51.090 1.00 0.00 H ATOM 21 HG3 LYS A 2 -18.812 -25.752 51.860 1.00 0.00 H ATOM 22 HD2 LYS A 2 -20.326 -25.527 49.259 1.00 0.00 H ATOM 23 HD3 LYS A 2 -21.039 -25.198 50.835 1.00 0.00 H ATOM 24 HE2 LYS A 2 -20.420 -23.093 50.065 1.00 0.00 H ATOM 25 HE3 LYS A 2 -19.103 -23.540 51.144 1.00 0.00 H ATOM 26 HZ1 LYS A 2 -17.780 -24.039 49.158 1.00 0.00 H ATOM 27 N ALA A 3 -16.116 -27.555 47.636 1.00 0.00 N ATOM 28 CA ALA A 3 -14.976 -27.370 46.738 1.00 0.00 C ATOM 29 C ALA A 3 -15.437 -27.174 45.293 1.00 0.00 C ATOM 30 O ALA A 3 -14.988 -26.253 44.610 1.00 0.00 O ATOM 31 CB ALA A 3 -14.025 -28.555 46.836 1.00 0.00 C ATOM 32 H ALA A 3 -16.148 -28.347 48.212 1.00 0.00 H ATOM 33 HA ALA A 3 -14.444 -26.487 47.056 1.00 0.00 H ATOM 34 HB1 ALA A 3 -13.657 -28.640 47.848 1.00 0.00 H ATOM 35 HB2 ALA A 3 -13.193 -28.407 46.163 1.00 0.00 H ATOM 36 HB3 ALA A 3 -14.548 -29.460 46.567 1.00 0.00 H ATOM 37 N ALA A 4 -16.341 -28.044 44.841 1.00 0.00 N ATOM 38 CA ALA A 4 -16.873 -27.972 43.482 1.00 0.00 C ATOM 39 C ALA A 4 -17.960 -26.905 43.352 1.00 0.00 C ATOM 40 O ALA A 4 -17.966 -26.129 42.394 1.00 0.00 O ATOM 41 CB ALA A 4 -17.411 -29.330 43.053 1.00 0.00 C ATOM 42 H ALA A 4 -16.661 -28.751 45.441 1.00 0.00 H ATOM 43 HA ALA A 4 -16.059 -27.715 42.824 1.00 0.00 H ATOM 44 HB1 ALA A 4 -17.776 -29.270 42.039 1.00 0.00 H ATOM 45 HB2 ALA A 4 -18.219 -29.621 43.710 1.00 0.00 H ATOM 46 HB3 ALA A 4 -16.621 -30.064 43.109 1.00 0.00 H ATOM 47 N ALA A 5 -18.884 -26.880 44.315 1.00 0.00 N ATOM 48 CA ALA A 5 -19.989 -25.919 44.306 1.00 0.00 C ATOM 49 C ALA A 5 -19.485 -24.478 44.382 1.00 0.00 C ATOM 50 O ALA A 5 -19.759 -23.672 43.492 1.00 0.00 O ATOM 51 CB ALA A 5 -20.949 -26.204 45.453 1.00 0.00 C ATOM 52 H ALA A 5 -18.824 -27.532 45.044 1.00 0.00 H ATOM 53 HA ALA A 5 -20.528 -26.047 43.381 1.00 0.00 H ATOM 54 HB1 ALA A 5 -21.354 -27.199 45.344 1.00 0.00 H ATOM 55 HB2 ALA A 5 -21.753 -25.484 45.438 1.00 0.00 H ATOM 56 HB3 ALA A 5 -20.420 -26.133 46.392 1.00 0.00 H ATOM 57 N ASP A 6 -18.744 -24.165 45.443 1.00 0.00 N ATOM 58 CA ASP A 6 -18.196 -22.822 45.629 1.00 0.00 C ATOM 59 C ASP A 6 -17.047 -22.560 44.654 1.00 0.00 C ATOM 60 O ASP A 6 -17.001 -21.516 44.004 1.00 0.00 O ATOM 61 CB ASP A 6 -17.713 -22.621 47.071 1.00 0.00 C ATOM 62 CG ASP A 6 -18.835 -22.723 48.093 1.00 0.00 C ATOM 63 OD1 ASP A 6 -19.860 -22.050 47.972 1.00 0.00 O ATOM 64 H ASP A 6 -18.558 -24.855 46.113 1.00 0.00 H ATOM 65 HA ASP A 6 -18.987 -22.115 45.425 1.00 0.00 H ATOM 66 HB2 ASP A 6 -16.973 -23.371 47.303 1.00 0.00 H ATOM 67 HB3 ASP A 6 -17.262 -21.643 47.156 1.00 0.00 H HETATM 68 N NH2 A 7 -16.119 -23.509 44.550 1.00 0.00 N HETATM 69 HN1 NH2 A 7 -16.215 -24.318 45.096 1.00 0.00 H HETATM 70 HN2 NH2 A 7 -15.374 -23.359 43.930 1.00 0.00 H TER 71 NH2 A 7 ENDMDL MODEL 6 HETATM 1 C ACE A 1 -19.020 -29.075 47.674 1.00 0.00 C HETATM 2 O ACE A 1 -19.224 -28.544 46.582 1.00 0.00 O HETATM 3 CH3 ACE A 1 -19.274 -30.442 47.859 1.00 0.00 C HETATM 4 H1 ACE A 1 -18.377 -30.934 48.198 1.00 0.00 H HETATM 5 H2 ACE A 1 -19.588 -30.880 46.924 1.00 0.00 H HETATM 6 H3 ACE A 1 -20.056 -30.565 48.596 1.00 0.00 H ATOM 7 N LYS A 2 -18.555 -28.398 48.727 1.00 0.00 N ATOM 8 CA LYS A 2 -18.252 -26.968 48.658 1.00 0.00 C ATOM 9 C LYS A 2 -17.113 -26.672 47.686 1.00 0.00 C ATOM 10 O LYS A 2 -17.137 -25.655 46.993 1.00 0.00 O ATOM 11 CB LYS A 2 -17.914 -26.420 50.048 1.00 0.00 C ATOM 12 CG LYS A 2 -19.138 -26.165 50.916 1.00 0.00 C ATOM 13 CD LYS A 2 -20.122 -25.193 50.264 1.00 0.00 C ATOM 14 CE LYS A 2 -19.587 -23.764 50.204 1.00 0.00 C ATOM 15 NZ LYS A 2 -18.626 -23.553 49.116 1.00 0.00 N1+ ATOM 16 H LYS A 2 -18.412 -28.875 49.573 1.00 0.00 H ATOM 17 HA LYS A 2 -19.138 -26.469 48.299 1.00 0.00 H ATOM 18 HB2 LYS A 2 -17.285 -27.136 50.557 1.00 0.00 H ATOM 19 HB3 LYS A 2 -17.372 -25.497 49.942 1.00 0.00 H ATOM 20 HG2 LYS A 2 -19.642 -27.104 51.090 1.00 0.00 H ATOM 21 HG3 LYS A 2 -18.812 -25.752 51.859 1.00 0.00 H ATOM 22 HD2 LYS A 2 -20.326 -25.527 49.259 1.00 0.00 H ATOM 23 HD3 LYS A 2 -21.039 -25.198 50.835 1.00 0.00 H ATOM 24 HE2 LYS A 2 -20.420 -23.091 50.065 1.00 0.00 H ATOM 25 HE3 LYS A 2 -19.104 -23.539 51.144 1.00 0.00 H ATOM 26 HZ1 LYS A 2 -17.780 -24.039 49.157 1.00 0.00 H ATOM 27 N ALA A 3 -16.116 -27.555 47.635 1.00 0.00 N ATOM 28 CA ALA A 3 -14.976 -27.370 46.739 1.00 0.00 C ATOM 29 C ALA A 3 -15.437 -27.174 45.294 1.00 0.00 C ATOM 30 O ALA A 3 -14.988 -26.253 44.611 1.00 0.00 O ATOM 31 CB ALA A 3 -14.024 -28.555 46.836 1.00 0.00 C ATOM 32 H ALA A 3 -16.148 -28.347 48.213 1.00 0.00 H ATOM 33 HA ALA A 3 -14.444 -26.486 47.057 1.00 0.00 H ATOM 34 HB1 ALA A 3 -14.543 -29.458 46.550 1.00 0.00 H ATOM 35 HB2 ALA A 3 -13.671 -28.650 47.852 1.00 0.00 H ATOM 36 HB3 ALA A 3 -13.185 -28.397 46.176 1.00 0.00 H ATOM 37 N ALA A 4 -16.341 -28.044 44.842 1.00 0.00 N ATOM 38 CA ALA A 4 -16.873 -27.972 43.482 1.00 0.00 C ATOM 39 C ALA A 4 -17.961 -26.905 43.352 1.00 0.00 C ATOM 40 O ALA A 4 -17.966 -26.130 42.395 1.00 0.00 O ATOM 41 CB ALA A 4 -17.411 -29.330 43.055 1.00 0.00 C ATOM 42 H ALA A 4 -16.661 -28.751 45.441 1.00 0.00 H ATOM 43 HA ALA A 4 -16.059 -27.715 42.824 1.00 0.00 H ATOM 44 HB1 ALA A 4 -18.224 -29.617 43.707 1.00 0.00 H ATOM 45 HB2 ALA A 4 -16.623 -30.065 43.116 1.00 0.00 H ATOM 46 HB3 ALA A 4 -17.770 -29.272 42.038 1.00 0.00 H ATOM 47 N ALA A 5 -18.884 -26.881 44.315 1.00 0.00 N ATOM 48 CA ALA A 5 -19.989 -25.919 44.307 1.00 0.00 C ATOM 49 C ALA A 5 -19.485 -24.479 44.382 1.00 0.00 C ATOM 50 O ALA A 5 -19.760 -23.672 43.492 1.00 0.00 O ATOM 51 CB ALA A 5 -20.949 -26.205 45.455 1.00 0.00 C ATOM 52 H ALA A 5 -18.824 -27.532 45.045 1.00 0.00 H ATOM 53 HA ALA A 5 -20.529 -26.047 43.383 1.00 0.00 H ATOM 54 HB1 ALA A 5 -21.753 -25.484 45.439 1.00 0.00 H ATOM 55 HB2 ALA A 5 -20.419 -26.133 46.393 1.00 0.00 H ATOM 56 HB3 ALA A 5 -21.355 -27.199 45.345 1.00 0.00 H ATOM 57 N ASP A 6 -18.743 -24.165 45.443 1.00 0.00 N ATOM 58 CA ASP A 6 -18.195 -22.823 45.629 1.00 0.00 C ATOM 59 C ASP A 6 -17.047 -22.561 44.654 1.00 0.00 C ATOM 60 O ASP A 6 -17.001 -21.517 44.003 1.00 0.00 O ATOM 61 CB ASP A 6 -17.712 -22.620 47.071 1.00 0.00 C ATOM 62 CG ASP A 6 -18.834 -22.722 48.092 1.00 0.00 C ATOM 63 OD1 ASP A 6 -19.859 -22.049 47.971 1.00 0.00 O ATOM 64 H ASP A 6 -18.557 -24.855 46.113 1.00 0.00 H ATOM 65 HA ASP A 6 -18.987 -22.116 45.425 1.00 0.00 H ATOM 66 HB2 ASP A 6 -16.972 -23.371 47.302 1.00 0.00 H ATOM 67 HB3 ASP A 6 -17.261 -21.642 47.156 1.00 0.00 H HETATM 68 N NH2 A 7 -16.117 -23.509 44.551 1.00 0.00 N HETATM 69 HN1 NH2 A 7 -16.213 -24.318 45.098 1.00 0.00 H HETATM 70 HN2 NH2 A 7 -15.374 -23.359 43.931 1.00 0.00 H TER 71 NH2 A 7 ENDMDL MODEL 7 HETATM 1 C ACE A 1 -19.021 -29.075 47.674 1.00 0.00 C HETATM 2 O ACE A 1 -19.225 -28.544 46.581 1.00 0.00 O HETATM 3 CH3 ACE A 1 -19.274 -30.442 47.857 1.00 0.00 C HETATM 4 H1 ACE A 1 -20.002 -30.572 48.643 1.00 0.00 H HETATM 5 H2 ACE A 1 -18.361 -30.945 48.133 1.00 0.00 H HETATM 6 H3 ACE A 1 -19.656 -30.864 46.938 1.00 0.00 H ATOM 7 N LYS A 2 -18.556 -28.399 48.727 1.00 0.00 N ATOM 8 CA LYS A 2 -18.252 -26.968 48.658 1.00 0.00 C ATOM 9 C LYS A 2 -17.113 -26.671 47.686 1.00 0.00 C ATOM 10 O LYS A 2 -17.139 -25.656 46.992 1.00 0.00 O ATOM 11 CB LYS A 2 -17.914 -26.422 50.048 1.00 0.00 C ATOM 12 CG LYS A 2 -19.137 -26.166 50.916 1.00 0.00 C ATOM 13 CD LYS A 2 -20.122 -25.194 50.264 1.00 0.00 C ATOM 14 CE LYS A 2 -19.587 -23.765 50.204 1.00 0.00 C ATOM 15 NZ LYS A 2 -18.626 -23.553 49.116 1.00 0.00 N1+ ATOM 16 H LYS A 2 -18.411 -28.875 49.572 1.00 0.00 H ATOM 17 HA LYS A 2 -19.138 -26.470 48.300 1.00 0.00 H ATOM 18 HB2 LYS A 2 -17.285 -27.137 50.557 1.00 0.00 H ATOM 19 HB3 LYS A 2 -17.371 -25.498 49.942 1.00 0.00 H ATOM 20 HG2 LYS A 2 -19.642 -27.104 51.090 1.00 0.00 H ATOM 21 HG3 LYS A 2 -18.812 -25.753 51.860 1.00 0.00 H ATOM 22 HD2 LYS A 2 -20.326 -25.528 49.258 1.00 0.00 H ATOM 23 HD3 LYS A 2 -21.039 -25.199 50.834 1.00 0.00 H ATOM 24 HE2 LYS A 2 -20.420 -23.093 50.065 1.00 0.00 H ATOM 25 HE3 LYS A 2 -19.104 -23.541 51.144 1.00 0.00 H ATOM 26 HZ1 LYS A 2 -17.779 -24.040 49.157 1.00 0.00 H ATOM 27 N ALA A 3 -16.115 -27.555 47.636 1.00 0.00 N ATOM 28 CA ALA A 3 -14.975 -27.369 46.739 1.00 0.00 C ATOM 29 C ALA A 3 -15.437 -27.174 45.294 1.00 0.00 C ATOM 30 O ALA A 3 -14.988 -26.253 44.610 1.00 0.00 O ATOM 31 CB ALA A 3 -14.024 -28.554 46.836 1.00 0.00 C ATOM 32 H ALA A 3 -16.147 -28.346 48.213 1.00 0.00 H ATOM 33 HA ALA A 3 -14.445 -26.485 47.057 1.00 0.00 H ATOM 34 HB1 ALA A 3 -13.662 -28.643 47.851 1.00 0.00 H ATOM 35 HB2 ALA A 3 -13.189 -28.401 46.169 1.00 0.00 H ATOM 36 HB3 ALA A 3 -14.545 -29.458 46.560 1.00 0.00 H ATOM 37 N ALA A 4 -16.341 -28.043 44.842 1.00 0.00 N ATOM 38 CA ALA A 4 -16.873 -27.973 43.483 1.00 0.00 C ATOM 39 C ALA A 4 -17.961 -26.905 43.353 1.00 0.00 C ATOM 40 O ALA A 4 -17.966 -26.130 42.395 1.00 0.00 O ATOM 41 CB ALA A 4 -17.412 -29.330 43.056 1.00 0.00 C ATOM 42 H ALA A 4 -16.661 -28.750 45.442 1.00 0.00 H ATOM 43 HA ALA A 4 -16.060 -27.716 42.825 1.00 0.00 H ATOM 44 HB1 ALA A 4 -18.219 -29.620 43.713 1.00 0.00 H ATOM 45 HB2 ALA A 4 -16.622 -30.065 43.111 1.00 0.00 H ATOM 46 HB3 ALA A 4 -17.778 -29.270 42.041 1.00 0.00 H ATOM 47 N ALA A 5 -18.885 -26.881 44.316 1.00 0.00 N ATOM 48 CA ALA A 5 -19.989 -25.918 44.307 1.00 0.00 C ATOM 49 C ALA A 5 -19.485 -24.479 44.382 1.00 0.00 C ATOM 50 O ALA A 5 -19.760 -23.671 43.492 1.00 0.00 O ATOM 51 CB ALA A 5 -20.949 -26.204 45.454 1.00 0.00 C ATOM 52 H ALA A 5 -18.825 -27.532 45.045 1.00 0.00 H ATOM 53 HA ALA A 5 -20.528 -26.046 43.382 1.00 0.00 H ATOM 54 HB1 ALA A 5 -21.752 -25.481 45.440 1.00 0.00 H ATOM 55 HB2 ALA A 5 -20.420 -26.135 46.393 1.00 0.00 H ATOM 56 HB3 ALA A 5 -21.357 -27.197 45.343 1.00 0.00 H ATOM 57 N ASP A 6 -18.744 -24.165 45.443 1.00 0.00 N ATOM 58 CA ASP A 6 -18.196 -22.823 45.629 1.00 0.00 C ATOM 59 C ASP A 6 -17.048 -22.560 44.654 1.00 0.00 C ATOM 60 O ASP A 6 -17.001 -21.516 44.003 1.00 0.00 O ATOM 61 CB ASP A 6 -17.712 -22.621 47.071 1.00 0.00 C ATOM 62 CG ASP A 6 -18.833 -22.723 48.093 1.00 0.00 C ATOM 63 OD1 ASP A 6 -19.859 -22.049 47.972 1.00 0.00 O ATOM 64 H ASP A 6 -18.557 -24.854 46.113 1.00 0.00 H ATOM 65 HA ASP A 6 -18.988 -22.115 45.426 1.00 0.00 H ATOM 66 HB2 ASP A 6 -16.972 -23.372 47.303 1.00 0.00 H ATOM 67 HB3 ASP A 6 -17.261 -21.643 47.157 1.00 0.00 H HETATM 68 N NH2 A 7 -16.118 -23.508 44.551 1.00 0.00 N HETATM 69 HN1 NH2 A 7 -16.213 -24.317 45.097 1.00 0.00 H HETATM 70 HN2 NH2 A 7 -15.374 -23.358 43.931 1.00 0.00 H TER 71 NH2 A 7 ENDMDL MODEL 8 HETATM 1 C ACE A 1 -18.986 -29.388 47.749 1.00 0.00 C HETATM 2 O ACE A 1 -19.408 -28.712 46.808 1.00 0.00 O HETATM 3 CH3 ACE A 1 -19.116 -30.785 47.737 1.00 0.00 C HETATM 4 H1 ACE A 1 -20.088 -31.061 48.118 1.00 0.00 H HETATM 5 H2 ACE A 1 -18.353 -31.222 48.362 1.00 0.00 H HETATM 6 H3 ACE A 1 -19.006 -31.149 46.726 1.00 0.00 H ATOM 7 N LYS A 2 -18.394 -28.849 48.816 1.00 0.00 N ATOM 8 CA LYS A 2 -18.195 -27.406 48.953 1.00 0.00 C ATOM 9 C LYS A 2 -17.210 -26.870 47.911 1.00 0.00 C ATOM 10 O LYS A 2 -17.423 -25.800 47.336 1.00 0.00 O ATOM 11 CB LYS A 2 -17.685 -27.077 50.361 1.00 0.00 C ATOM 12 CG LYS A 2 -17.329 -25.612 50.558 1.00 0.00 C ATOM 13 CD LYS A 2 -18.558 -24.718 50.491 1.00 0.00 C ATOM 14 CE LYS A 2 -18.171 -23.262 50.314 1.00 0.00 C ATOM 15 NZ LYS A 2 -17.537 -23.030 49.017 1.00 0.00 N1+ ATOM 16 H LYS A 2 -18.081 -29.441 49.532 1.00 0.00 H ATOM 17 HA LYS A 2 -19.150 -26.925 48.808 1.00 0.00 H ATOM 18 HB2 LYS A 2 -18.449 -27.338 51.079 1.00 0.00 H ATOM 19 HB3 LYS A 2 -16.802 -27.667 50.558 1.00 0.00 H ATOM 20 HG2 LYS A 2 -16.864 -25.491 51.524 1.00 0.00 H ATOM 21 HG3 LYS A 2 -16.635 -25.314 49.784 1.00 0.00 H ATOM 22 HD2 LYS A 2 -19.169 -25.021 49.653 1.00 0.00 H ATOM 23 HD3 LYS A 2 -19.119 -24.825 51.407 1.00 0.00 H ATOM 24 HE2 LYS A 2 -19.057 -22.652 50.391 1.00 0.00 H ATOM 25 HE3 LYS A 2 -17.477 -22.990 51.098 1.00 0.00 H ATOM 26 HZ1 LYS A 2 -16.568 -23.159 48.959 1.00 0.00 H ATOM 27 N ALA A 3 -16.121 -27.608 47.699 1.00 0.00 N ATOM 28 CA ALA A 3 -15.077 -27.209 46.754 1.00 0.00 C ATOM 29 C ALA A 3 -15.607 -27.035 45.330 1.00 0.00 C ATOM 30 O ALA A 3 -15.318 -26.032 44.676 1.00 0.00 O ATOM 31 CB ALA A 3 -13.943 -28.226 46.772 1.00 0.00 C ATOM 32 H ALA A 3 -16.007 -28.438 48.206 1.00 0.00 H ATOM 33 HA ALA A 3 -14.676 -26.265 47.088 1.00 0.00 H ATOM 34 HB1 ALA A 3 -14.271 -29.138 46.294 1.00 0.00 H ATOM 35 HB2 ALA A 3 -13.665 -28.436 47.794 1.00 0.00 H ATOM 36 HB3 ALA A 3 -13.092 -27.829 46.241 1.00 0.00 H ATOM 37 N ALA A 4 -16.366 -28.017 44.852 1.00 0.00 N ATOM 38 CA ALA A 4 -16.918 -27.975 43.497 1.00 0.00 C ATOM 39 C ALA A 4 -17.978 -26.888 43.335 1.00 0.00 C ATOM 40 O ALA A 4 -17.970 -26.152 42.346 1.00 0.00 O ATOM 41 CB ALA A 4 -17.487 -29.334 43.116 1.00 0.00 C ATOM 42 H ALA A 4 -16.550 -28.796 45.420 1.00 0.00 H ATOM 43 HA ALA A 4 -16.104 -27.759 42.824 1.00 0.00 H ATOM 44 HB1 ALA A 4 -18.007 -29.256 42.173 1.00 0.00 H ATOM 45 HB2 ALA A 4 -18.174 -29.664 43.881 1.00 0.00 H ATOM 46 HB3 ALA A 4 -16.682 -30.049 43.026 1.00 0.00 H ATOM 47 N ALA A 5 -18.897 -26.797 44.298 1.00 0.00 N ATOM 48 CA ALA A 5 -19.973 -25.805 44.245 1.00 0.00 C ATOM 49 C ALA A 5 -19.435 -24.376 44.237 1.00 0.00 C ATOM 50 O ALA A 5 -19.695 -23.622 43.298 1.00 0.00 O ATOM 51 CB ALA A 5 -20.942 -25.996 45.402 1.00 0.00 C ATOM 52 H ALA A 5 -18.855 -27.418 45.054 1.00 0.00 H ATOM 53 HA ALA A 5 -20.518 -25.967 43.328 1.00 0.00 H ATOM 54 HB1 ALA A 5 -21.279 -27.023 45.424 1.00 0.00 H ATOM 55 HB2 ALA A 5 -21.792 -25.341 45.271 1.00 0.00 H ATOM 56 HB3 ALA A 5 -20.446 -25.759 46.330 1.00 0.00 H ATOM 57 N ASP A 6 -18.687 -24.005 45.280 1.00 0.00 N ATOM 58 CA ASP A 6 -18.122 -22.656 45.366 1.00 0.00 C ATOM 59 C ASP A 6 -17.196 -22.387 44.180 1.00 0.00 C ATOM 60 O ASP A 6 -17.411 -21.449 43.413 1.00 0.00 O ATOM 61 CB ASP A 6 -17.349 -22.439 46.677 1.00 0.00 C ATOM 62 CG ASP A 6 -18.196 -22.641 47.924 1.00 0.00 C ATOM 63 OD1 ASP A 6 -19.409 -22.427 47.911 1.00 0.00 O ATOM 64 H ASP A 6 -18.511 -24.649 45.998 1.00 0.00 H ATOM 65 HA ASP A 6 -18.944 -21.956 45.325 1.00 0.00 H ATOM 66 HB2 ASP A 6 -16.525 -23.133 46.716 1.00 0.00 H ATOM 67 HB3 ASP A 6 -16.960 -21.432 46.690 1.00 0.00 H HETATM 68 N NH2 A 7 -16.168 -23.217 44.027 1.00 0.00 N HETATM 69 HN1 NH2 A 7 -16.056 -23.944 44.675 1.00 0.00 H HETATM 70 HN2 NH2 A 7 -15.564 -23.070 43.269 1.00 0.00 H TER 71 NH2 A 7 ENDMDL MODEL 9 HETATM 1 C ACE A 1 -18.495 -29.817 47.585 1.00 0.00 C HETATM 2 O ACE A 1 -18.919 -29.240 46.580 1.00 0.00 O HETATM 3 CH3 ACE A 1 -18.340 -31.211 47.593 1.00 0.00 C HETATM 4 H1 ACE A 1 -18.635 -31.613 46.636 1.00 0.00 H HETATM 5 H2 ACE A 1 -18.961 -31.640 48.364 1.00 0.00 H HETATM 6 H3 ACE A 1 -17.304 -31.456 47.784 1.00 0.00 H ATOM 7 N LYS A 2 -18.162 -29.165 48.702 1.00 0.00 N ATOM 8 CA LYS A 2 -18.281 -27.711 48.809 1.00 0.00 C ATOM 9 C LYS A 2 -17.379 -27.026 47.780 1.00 0.00 C ATOM 10 O LYS A 2 -17.818 -26.131 47.059 1.00 0.00 O ATOM 11 CB LYS A 2 -17.913 -27.243 50.226 1.00 0.00 C ATOM 12 CG LYS A 2 -18.589 -25.942 50.656 1.00 0.00 C ATOM 13 CD LYS A 2 -18.378 -24.820 49.648 1.00 0.00 C ATOM 14 CE LYS A 2 -16.908 -24.447 49.505 1.00 0.00 C ATOM 15 NZ LYS A 2 -16.604 -23.924 48.173 1.00 0.00 N1+ ATOM 16 H LYS A 2 -17.829 -29.673 49.472 1.00 0.00 H ATOM 17 HA LYS A 2 -19.307 -27.447 48.604 1.00 0.00 H ATOM 18 HB2 LYS A 2 -18.195 -28.013 50.928 1.00 0.00 H ATOM 19 HB3 LYS A 2 -16.844 -27.101 50.277 1.00 0.00 H ATOM 20 HG2 LYS A 2 -19.648 -26.118 50.761 1.00 0.00 H ATOM 21 HG3 LYS A 2 -18.180 -25.636 51.609 1.00 0.00 H ATOM 22 HD2 LYS A 2 -18.754 -25.137 48.689 1.00 0.00 H ATOM 23 HD3 LYS A 2 -18.928 -23.951 49.979 1.00 0.00 H ATOM 24 HE2 LYS A 2 -16.668 -23.694 50.240 1.00 0.00 H ATOM 25 HE3 LYS A 2 -16.307 -25.327 49.682 1.00 0.00 H ATOM 26 HZ1 LYS A 2 -15.868 -24.347 47.683 1.00 0.00 H ATOM 27 N ALA A 3 -16.119 -27.466 47.716 1.00 0.00 N ATOM 28 CA ALA A 3 -15.142 -26.906 46.777 1.00 0.00 C ATOM 29 C ALA A 3 -15.711 -26.815 45.362 1.00 0.00 C ATOM 30 O ALA A 3 -15.572 -25.786 44.696 1.00 0.00 O ATOM 31 CB ALA A 3 -13.867 -27.739 46.781 1.00 0.00 C ATOM 32 H ALA A 3 -15.839 -28.187 48.317 1.00 0.00 H ATOM 33 HA ALA A 3 -14.892 -25.912 47.115 1.00 0.00 H ATOM 34 HB1 ALA A 3 -13.156 -27.312 46.089 1.00 0.00 H ATOM 35 HB2 ALA A 3 -14.098 -28.751 46.481 1.00 0.00 H ATOM 36 HB3 ALA A 3 -13.444 -27.745 47.774 1.00 0.00 H ATOM 37 N ALA A 4 -16.360 -27.891 44.914 1.00 0.00 N ATOM 38 CA ALA A 4 -16.961 -27.931 43.583 1.00 0.00 C ATOM 39 C ALA A 4 -18.074 -26.892 43.449 1.00 0.00 C ATOM 40 O ALA A 4 -18.185 -26.218 42.424 1.00 0.00 O ATOM 41 CB ALA A 4 -17.497 -29.324 43.284 1.00 0.00 C ATOM 42 H ALA A 4 -16.441 -28.673 45.499 1.00 0.00 H ATOM 43 HA ALA A 4 -16.189 -27.706 42.864 1.00 0.00 H ATOM 44 HB1 ALA A 4 -18.272 -29.572 43.994 1.00 0.00 H ATOM 45 HB2 ALA A 4 -16.695 -30.043 43.362 1.00 0.00 H ATOM 46 HB3 ALA A 4 -17.904 -29.347 42.284 1.00 0.00 H ATOM 47 N ALA A 5 -18.894 -26.772 44.495 1.00 0.00 N ATOM 48 CA ALA A 5 -20.003 -25.817 44.508 1.00 0.00 C ATOM 49 C ALA A 5 -19.511 -24.373 44.398 1.00 0.00 C ATOM 50 O ALA A 5 -20.075 -23.577 43.645 1.00 0.00 O ATOM 51 CB ALA A 5 -20.837 -25.995 45.769 1.00 0.00 C ATOM 52 H ALA A 5 -18.746 -27.340 45.279 1.00 0.00 H ATOM 53 HA ALA A 5 -20.632 -26.033 43.659 1.00 0.00 H ATOM 54 HB1 ALA A 5 -21.102 -27.037 45.882 1.00 0.00 H ATOM 55 HB2 ALA A 5 -21.737 -25.402 45.692 1.00 0.00 H ATOM 56 HB3 ALA A 5 -20.267 -25.673 46.628 1.00 0.00 H ATOM 57 N ASP A 6 -18.461 -24.040 45.152 1.00 0.00 N ATOM 58 CA ASP A 6 -17.897 -22.686 45.138 1.00 0.00 C ATOM 59 C ASP A 6 -17.338 -22.339 43.758 1.00 0.00 C ATOM 60 O ASP A 6 -17.681 -21.306 43.182 1.00 0.00 O ATOM 61 CB ASP A 6 -16.793 -22.544 46.195 1.00 0.00 C ATOM 62 CG ASP A 6 -17.264 -22.924 47.588 1.00 0.00 C ATOM 63 OD1 ASP A 6 -18.207 -22.335 48.119 1.00 0.00 O ATOM 64 H ASP A 6 -18.056 -24.719 45.732 1.00 0.00 H ATOM 65 HA ASP A 6 -18.694 -21.997 45.371 1.00 0.00 H ATOM 66 HB2 ASP A 6 -15.965 -23.183 45.930 1.00 0.00 H ATOM 67 HB3 ASP A 6 -16.457 -21.518 46.217 1.00 0.00 H HETATM 68 N NH2 A 7 -16.478 -23.203 43.225 1.00 0.00 N HETATM 69 HN1 NH2 A 7 -16.248 -24.007 43.737 1.00 0.00 H HETATM 70 HN2 NH2 A 7 -16.109 -23.001 42.340 1.00 0.00 H TER 71 NH2 A 7 ENDMDL MODEL 10 HETATM 1 C ACE A 1 -18.940 -29.428 47.521 1.00 0.00 C HETATM 2 O ACE A 1 -19.471 -28.659 46.716 1.00 0.00 O HETATM 3 CH3 ACE A 1 -18.997 -30.815 47.326 1.00 0.00 C HETATM 4 H1 ACE A 1 -19.820 -31.054 46.673 1.00 0.00 H HETATM 5 H2 ACE A 1 -19.147 -31.306 48.275 1.00 0.00 H HETATM 6 H3 ACE A 1 -18.070 -31.153 46.883 1.00 0.00 H ATOM 7 N LYS A 2 -18.289 -29.000 48.605 1.00 0.00 N ATOM 8 CA LYS A 2 -18.161 -27.577 48.911 1.00 0.00 C ATOM 9 C LYS A 2 -17.309 -26.863 47.863 1.00 0.00 C ATOM 10 O LYS A 2 -17.745 -25.875 47.274 1.00 0.00 O ATOM 11 CB LYS A 2 -17.557 -27.373 50.305 1.00 0.00 C ATOM 12 CG LYS A 2 -17.282 -25.915 50.639 1.00 0.00 C ATOM 13 CD LYS A 2 -18.544 -25.068 50.564 1.00 0.00 C ATOM 14 CE LYS A 2 -18.207 -23.592 50.443 1.00 0.00 C ATOM 15 NZ LYS A 2 -17.503 -23.299 49.192 1.00 0.00 N1+ ATOM 16 H LYS A 2 -17.885 -29.657 49.209 1.00 0.00 H ATOM 17 HA LYS A 2 -19.150 -27.152 48.897 1.00 0.00 H ATOM 18 HB2 LYS A 2 -18.238 -27.769 51.044 1.00 0.00 H ATOM 19 HB3 LYS A 2 -16.623 -27.915 50.362 1.00 0.00 H ATOM 20 HG2 LYS A 2 -16.886 -25.855 51.642 1.00 0.00 H ATOM 21 HG3 LYS A 2 -16.557 -25.527 49.940 1.00 0.00 H ATOM 22 HD2 LYS A 2 -19.123 -25.366 49.701 1.00 0.00 H ATOM 23 HD3 LYS A 2 -19.125 -25.223 51.462 1.00 0.00 H ATOM 24 HE2 LYS A 2 -19.124 -23.021 50.474 1.00 0.00 H ATOM 25 HE3 LYS A 2 -17.580 -23.310 51.275 1.00 0.00 H ATOM 26 HZ1 LYS A 2 -16.522 -23.323 49.211 1.00 0.00 H ATOM 27 N ALA A 3 -16.099 -27.373 47.638 1.00 0.00 N ATOM 28 CA ALA A 3 -15.180 -26.791 46.657 1.00 0.00 C ATOM 29 C ALA A 3 -15.758 -26.871 45.242 1.00 0.00 C ATOM 30 O ALA A 3 -15.587 -25.951 44.441 1.00 0.00 O ATOM 31 CB ALA A 3 -13.829 -27.493 46.724 1.00 0.00 C ATOM 32 H ALA A 3 -15.815 -28.164 48.144 1.00 0.00 H ATOM 33 HA ALA A 3 -15.033 -25.752 46.916 1.00 0.00 H ATOM 34 HB1 ALA A 3 -13.382 -27.512 45.741 1.00 0.00 H ATOM 35 HB2 ALA A 3 -13.968 -28.504 47.078 1.00 0.00 H ATOM 36 HB3 ALA A 3 -13.182 -26.960 47.404 1.00 0.00 H ATOM 37 N ALA A 4 -16.442 -27.980 44.949 1.00 0.00 N ATOM 38 CA ALA A 4 -17.056 -28.196 43.637 1.00 0.00 C ATOM 39 C ALA A 4 -18.065 -27.097 43.302 1.00 0.00 C ATOM 40 O ALA A 4 -18.084 -26.578 42.184 1.00 0.00 O ATOM 41 CB ALA A 4 -17.731 -29.561 43.594 1.00 0.00 C ATOM 42 H ALA A 4 -16.537 -28.672 45.635 1.00 0.00 H ATOM 43 HA ALA A 4 -16.272 -28.187 42.898 1.00 0.00 H ATOM 44 HB1 ALA A 4 -17.737 -29.928 42.579 1.00 0.00 H ATOM 45 HB2 ALA A 4 -18.746 -29.471 43.950 1.00 0.00 H ATOM 46 HB3 ALA A 4 -17.190 -30.251 44.224 1.00 0.00 H ATOM 47 N ALA A 5 -18.906 -26.755 44.280 1.00 0.00 N ATOM 48 CA ALA A 5 -19.926 -25.724 44.104 1.00 0.00 C ATOM 49 C ALA A 5 -19.336 -24.319 44.219 1.00 0.00 C ATOM 50 O ALA A 5 -19.572 -23.469 43.356 1.00 0.00 O ATOM 51 CB ALA A 5 -21.048 -25.920 45.115 1.00 0.00 C ATOM 52 H ALA A 5 -18.838 -27.212 45.143 1.00 0.00 H ATOM 53 HA ALA A 5 -20.348 -25.842 43.116 1.00 0.00 H ATOM 54 HB1 ALA A 5 -21.240 -26.975 45.239 1.00 0.00 H ATOM 55 HB2 ALA A 5 -21.944 -25.430 44.762 1.00 0.00 H ATOM 56 HB3 ALA A 5 -20.756 -25.495 46.064 1.00 0.00 H ATOM 57 N ASP A 6 -18.573 -24.075 45.287 1.00 0.00 N ATOM 58 CA ASP A 6 -17.961 -22.764 45.506 1.00 0.00 C ATOM 59 C ASP A 6 -17.006 -22.406 44.368 1.00 0.00 C ATOM 60 O ASP A 6 -17.115 -21.339 43.767 1.00 0.00 O ATOM 61 CB ASP A 6 -17.216 -22.715 46.850 1.00 0.00 C ATOM 62 CG ASP A 6 -18.118 -22.998 48.044 1.00 0.00 C ATOM 63 OD1 ASP A 6 -19.344 -22.932 47.941 1.00 0.00 O ATOM 64 H ASP A 6 -18.425 -24.790 45.939 1.00 0.00 H ATOM 65 HA ASP A 6 -18.758 -22.035 45.526 1.00 0.00 H ATOM 66 HB2 ASP A 6 -16.424 -23.449 46.842 1.00 0.00 H ATOM 67 HB3 ASP A 6 -16.784 -21.733 46.974 1.00 0.00 H HETATM 68 N NH2 A 7 -16.075 -23.305 44.062 1.00 0.00 N HETATM 69 HN1 NH2 A 7 -16.044 -24.137 44.583 1.00 0.00 H HETATM 70 HN2 NH2 A 7 -15.462 -23.103 43.326 1.00 0.00 H TER 71 NH2 A 7 ENDMDL MODEL 11 HETATM 1 C ACE A 1 -18.815 -29.577 47.599 1.00 0.00 C HETATM 2 O ACE A 1 -19.126 -29.022 46.543 1.00 0.00 O HETATM 3 CH3 ACE A 1 -18.872 -30.973 47.712 1.00 0.00 C HETATM 4 H1 ACE A 1 -19.227 -31.397 46.786 1.00 0.00 H HETATM 5 H2 ACE A 1 -19.549 -31.244 48.508 1.00 0.00 H HETATM 6 H3 ACE A 1 -17.885 -31.356 47.932 1.00 0.00 H ATOM 7 N LYS A 2 -18.413 -28.898 48.677 1.00 0.00 N ATOM 8 CA LYS A 2 -18.313 -27.438 48.678 1.00 0.00 C ATOM 9 C LYS A 2 -17.246 -26.957 47.697 1.00 0.00 C ATOM 10 O LYS A 2 -17.461 -25.986 46.969 1.00 0.00 O ATOM 11 CB LYS A 2 -18.016 -26.922 50.093 1.00 0.00 C ATOM 12 CG LYS A 2 -17.899 -25.406 50.192 1.00 0.00 C ATOM 13 CD LYS A 2 -16.532 -24.909 49.739 1.00 0.00 C ATOM 14 CE LYS A 2 -16.466 -23.391 49.716 1.00 0.00 C ATOM 15 NZ LYS A 2 -17.364 -22.809 48.716 1.00 0.00 N1+ ATOM 16 H LYS A 2 -18.178 -29.392 49.491 1.00 0.00 H ATOM 17 HA LYS A 2 -19.269 -27.047 48.361 1.00 0.00 H ATOM 18 HB2 LYS A 2 -18.809 -27.242 50.753 1.00 0.00 H ATOM 19 HB3 LYS A 2 -17.085 -27.355 50.431 1.00 0.00 H ATOM 20 HG2 LYS A 2 -18.657 -24.956 49.567 1.00 0.00 H ATOM 21 HG3 LYS A 2 -18.057 -25.110 51.219 1.00 0.00 H ATOM 22 HD2 LYS A 2 -15.783 -25.279 50.422 1.00 0.00 H ATOM 23 HD3 LYS A 2 -16.331 -25.280 48.748 1.00 0.00 H ATOM 24 HE2 LYS A 2 -16.741 -23.018 50.691 1.00 0.00 H ATOM 25 HE3 LYS A 2 -15.452 -23.093 49.492 1.00 0.00 H ATOM 26 HZ1 LYS A 2 -18.298 -22.663 48.979 1.00 0.00 H ATOM 27 N ALA A 3 -16.097 -27.641 47.684 1.00 0.00 N ATOM 28 CA ALA A 3 -14.994 -27.283 46.790 1.00 0.00 C ATOM 29 C ALA A 3 -15.482 -27.110 45.354 1.00 0.00 C ATOM 30 O ALA A 3 -15.105 -26.157 44.671 1.00 0.00 O ATOM 31 CB ALA A 3 -13.895 -28.335 46.854 1.00 0.00 C ATOM 32 H ALA A 3 -15.990 -28.403 48.291 1.00 0.00 H ATOM 33 HA ALA A 3 -14.581 -26.345 47.133 1.00 0.00 H ATOM 34 HB1 ALA A 3 -13.524 -28.407 47.867 1.00 0.00 H ATOM 35 HB2 ALA A 3 -13.087 -28.053 46.195 1.00 0.00 H ATOM 36 HB3 ALA A 3 -14.293 -29.291 46.548 1.00 0.00 H ATOM 37 N ALA A 4 -16.335 -28.032 44.910 1.00 0.00 N ATOM 38 CA ALA A 4 -16.895 -27.984 43.563 1.00 0.00 C ATOM 39 C ALA A 4 -18.003 -26.934 43.461 1.00 0.00 C ATOM 40 O ALA A 4 -18.141 -26.265 42.435 1.00 0.00 O ATOM 41 CB ALA A 4 -17.424 -29.352 43.159 1.00 0.00 C ATOM 42 H ALA A 4 -16.602 -28.760 45.510 1.00 0.00 H ATOM 43 HA ALA A 4 -16.100 -27.717 42.883 1.00 0.00 H ATOM 44 HB1 ALA A 4 -18.219 -29.644 43.829 1.00 0.00 H ATOM 45 HB2 ALA A 4 -16.625 -30.077 43.210 1.00 0.00 H ATOM 46 HB3 ALA A 4 -17.805 -29.308 42.149 1.00 0.00 H ATOM 47 N ALA A 5 -18.796 -26.804 44.531 1.00 0.00 N ATOM 48 CA ALA A 5 -19.903 -25.848 44.568 1.00 0.00 C ATOM 49 C ALA A 5 -19.429 -24.410 44.355 1.00 0.00 C ATOM 50 O ALA A 5 -19.734 -23.800 43.329 1.00 0.00 O ATOM 51 CB ALA A 5 -20.661 -25.970 45.884 1.00 0.00 C ATOM 52 H ALA A 5 -18.635 -27.374 45.311 1.00 0.00 H ATOM 53 HA ALA A 5 -20.583 -26.105 43.772 1.00 0.00 H ATOM 54 HB1 ALA A 5 -21.441 -25.223 45.919 1.00 0.00 H ATOM 55 HB2 ALA A 5 -19.979 -25.817 46.708 1.00 0.00 H ATOM 56 HB3 ALA A 5 -21.100 -26.953 45.956 1.00 0.00 H ATOM 57 N ASP A 6 -18.683 -23.869 45.323 1.00 0.00 N ATOM 58 CA ASP A 6 -18.180 -22.498 45.216 1.00 0.00 C ATOM 59 C ASP A 6 -16.846 -22.442 44.464 1.00 0.00 C ATOM 60 O ASP A 6 -16.515 -21.429 43.848 1.00 0.00 O ATOM 61 CB ASP A 6 -18.050 -21.837 46.600 1.00 0.00 C ATOM 62 CG ASP A 6 -16.977 -22.450 47.490 1.00 0.00 C ATOM 63 OD1 ASP A 6 -15.817 -22.573 47.094 1.00 0.00 O ATOM 64 H ASP A 6 -18.469 -24.401 46.117 1.00 0.00 H ATOM 65 HA ASP A 6 -18.906 -21.941 44.642 1.00 0.00 H ATOM 66 HB2 ASP A 6 -17.812 -20.793 46.464 1.00 0.00 H ATOM 67 HB3 ASP A 6 -18.999 -21.914 47.111 1.00 0.00 H HETATM 68 N NH2 A 7 -16.079 -23.529 44.506 1.00 0.00 N HETATM 69 HN1 NH2 A 7 -16.396 -24.306 45.013 1.00 0.00 H HETATM 70 HN2 NH2 A 7 -15.224 -23.510 44.026 1.00 0.00 H TER 71 NH2 A 7 ENDMDL MODEL 12 HETATM 1 C ACE A 1 -18.817 -29.576 47.599 1.00 0.00 C HETATM 2 O ACE A 1 -19.127 -29.021 46.543 1.00 0.00 O HETATM 3 CH3 ACE A 1 -18.872 -30.973 47.712 1.00 0.00 C HETATM 4 H1 ACE A 1 -19.265 -31.394 46.800 1.00 0.00 H HETATM 5 H2 ACE A 1 -19.519 -31.243 48.533 1.00 0.00 H HETATM 6 H3 ACE A 1 -17.879 -31.359 47.891 1.00 0.00 H ATOM 7 N LYS A 2 -18.413 -28.898 48.677 1.00 0.00 N ATOM 8 CA LYS A 2 -18.314 -27.438 48.678 1.00 0.00 C ATOM 9 C LYS A 2 -17.246 -26.957 47.697 1.00 0.00 C ATOM 10 O LYS A 2 -17.460 -25.987 46.969 1.00 0.00 O ATOM 11 CB LYS A 2 -18.015 -26.922 50.093 1.00 0.00 C ATOM 12 CG LYS A 2 -17.899 -25.406 50.192 1.00 0.00 C ATOM 13 CD LYS A 2 -16.532 -24.908 49.739 1.00 0.00 C ATOM 14 CE LYS A 2 -16.466 -23.391 49.716 1.00 0.00 C ATOM 15 NZ LYS A 2 -17.364 -22.809 48.717 1.00 0.00 N1+ ATOM 16 H LYS A 2 -18.177 -29.392 49.491 1.00 0.00 H ATOM 17 HA LYS A 2 -19.268 -27.047 48.361 1.00 0.00 H ATOM 18 HB2 LYS A 2 -18.808 -27.243 50.753 1.00 0.00 H ATOM 19 HB3 LYS A 2 -17.085 -27.355 50.431 1.00 0.00 H ATOM 20 HG2 LYS A 2 -18.657 -24.956 49.567 1.00 0.00 H ATOM 21 HG3 LYS A 2 -18.056 -25.110 51.219 1.00 0.00 H ATOM 22 HD2 LYS A 2 -15.782 -25.278 50.421 1.00 0.00 H ATOM 23 HD3 LYS A 2 -16.330 -25.281 48.748 1.00 0.00 H ATOM 24 HE2 LYS A 2 -16.741 -23.019 50.691 1.00 0.00 H ATOM 25 HE3 LYS A 2 -15.452 -23.093 49.492 1.00 0.00 H ATOM 26 HZ1 LYS A 2 -18.297 -22.663 48.979 1.00 0.00 H ATOM 27 N ALA A 3 -16.097 -27.640 47.684 1.00 0.00 N ATOM 28 CA ALA A 3 -14.993 -27.283 46.790 1.00 0.00 C ATOM 29 C ALA A 3 -15.482 -27.111 45.354 1.00 0.00 C ATOM 30 O ALA A 3 -15.104 -26.158 44.671 1.00 0.00 O ATOM 31 CB ALA A 3 -13.894 -28.335 46.855 1.00 0.00 C ATOM 32 H ALA A 3 -15.990 -28.403 48.290 1.00 0.00 H ATOM 33 HA ALA A 3 -14.581 -26.345 47.133 1.00 0.00 H ATOM 34 HB1 ALA A 3 -14.293 -29.291 46.546 1.00 0.00 H ATOM 35 HB2 ALA A 3 -13.526 -28.409 47.867 1.00 0.00 H ATOM 36 HB3 ALA A 3 -13.086 -28.052 46.197 1.00 0.00 H ATOM 37 N ALA A 4 -16.334 -28.033 44.910 1.00 0.00 N ATOM 38 CA ALA A 4 -16.895 -27.984 43.563 1.00 0.00 C ATOM 39 C ALA A 4 -18.003 -26.933 43.462 1.00 0.00 C ATOM 40 O ALA A 4 -18.140 -26.265 42.436 1.00 0.00 O ATOM 41 CB ALA A 4 -17.424 -29.353 43.160 1.00 0.00 C ATOM 42 H ALA A 4 -16.602 -28.760 45.510 1.00 0.00 H ATOM 43 HA ALA A 4 -16.100 -27.717 42.883 1.00 0.00 H ATOM 44 HB1 ALA A 4 -16.624 -30.077 43.208 1.00 0.00 H ATOM 45 HB2 ALA A 4 -17.808 -29.307 42.150 1.00 0.00 H ATOM 46 HB3 ALA A 4 -18.216 -29.646 43.832 1.00 0.00 H ATOM 47 N ALA A 5 -18.795 -26.804 44.531 1.00 0.00 N ATOM 48 CA ALA A 5 -19.903 -25.849 44.568 1.00 0.00 C ATOM 49 C ALA A 5 -19.428 -24.410 44.355 1.00 0.00 C ATOM 50 O ALA A 5 -19.734 -23.801 43.329 1.00 0.00 O ATOM 51 CB ALA A 5 -20.661 -25.969 45.883 1.00 0.00 C ATOM 52 H ALA A 5 -18.635 -27.374 45.311 1.00 0.00 H ATOM 53 HA ALA A 5 -20.583 -26.105 43.772 1.00 0.00 H ATOM 54 HB1 ALA A 5 -19.979 -25.819 46.708 1.00 0.00 H ATOM 55 HB2 ALA A 5 -21.102 -26.952 45.956 1.00 0.00 H ATOM 56 HB3 ALA A 5 -21.440 -25.222 45.921 1.00 0.00 H ATOM 57 N ASP A 6 -18.682 -23.870 45.323 1.00 0.00 N ATOM 58 CA ASP A 6 -18.180 -22.498 45.216 1.00 0.00 C ATOM 59 C ASP A 6 -16.845 -22.443 44.464 1.00 0.00 C ATOM 60 O ASP A 6 -16.514 -21.429 43.849 1.00 0.00 O ATOM 61 CB ASP A 6 -18.050 -21.836 46.600 1.00 0.00 C ATOM 62 CG ASP A 6 -16.977 -22.451 47.491 1.00 0.00 C ATOM 63 OD1 ASP A 6 -15.817 -22.573 47.095 1.00 0.00 O ATOM 64 H ASP A 6 -18.469 -24.401 46.118 1.00 0.00 H ATOM 65 HA ASP A 6 -18.906 -21.941 44.642 1.00 0.00 H ATOM 66 HB2 ASP A 6 -17.811 -20.792 46.465 1.00 0.00 H ATOM 67 HB3 ASP A 6 -18.999 -21.913 47.111 1.00 0.00 H HETATM 68 N NH2 A 7 -16.079 -23.530 44.506 1.00 0.00 N HETATM 69 HN1 NH2 A 7 -16.396 -24.306 45.013 1.00 0.00 H HETATM 70 HN2 NH2 A 7 -15.225 -23.510 44.026 1.00 0.00 H TER 71 NH2 A 7 ENDMDL MODEL 13 HETATM 1 C ACE A 1 -18.819 -29.572 47.597 1.00 0.00 C HETATM 2 O ACE A 1 -19.129 -29.018 46.542 1.00 0.00 O HETATM 3 CH3 ACE A 1 -18.880 -30.970 47.710 1.00 0.00 C HETATM 4 H1 ACE A 1 -17.909 -31.352 47.987 1.00 0.00 H HETATM 5 H2 ACE A 1 -19.173 -31.396 46.764 1.00 0.00 H HETATM 6 H3 ACE A 1 -19.603 -31.237 48.468 1.00 0.00 H ATOM 7 N LYS A 2 -18.417 -28.895 48.676 1.00 0.00 N ATOM 8 CA LYS A 2 -18.314 -27.435 48.677 1.00 0.00 C ATOM 9 C LYS A 2 -17.245 -26.957 47.697 1.00 0.00 C ATOM 10 O LYS A 2 -17.457 -25.985 46.969 1.00 0.00 O ATOM 11 CB LYS A 2 -18.016 -26.920 50.092 1.00 0.00 C ATOM 12 CG LYS A 2 -17.899 -25.403 50.190 1.00 0.00 C ATOM 13 CD LYS A 2 -16.531 -24.908 49.738 1.00 0.00 C ATOM 14 CE LYS A 2 -16.464 -23.390 49.715 1.00 0.00 C ATOM 15 NZ LYS A 2 -17.362 -22.808 48.716 1.00 0.00 N1+ ATOM 16 H LYS A 2 -18.183 -29.389 49.489 1.00 0.00 H ATOM 17 HA LYS A 2 -19.268 -27.042 48.359 1.00 0.00 H ATOM 18 HB2 LYS A 2 -18.810 -27.239 50.751 1.00 0.00 H ATOM 19 HB3 LYS A 2 -17.086 -27.353 50.430 1.00 0.00 H ATOM 20 HG2 LYS A 2 -18.656 -24.954 49.566 1.00 0.00 H ATOM 21 HG3 LYS A 2 -18.057 -25.108 51.218 1.00 0.00 H ATOM 22 HD2 LYS A 2 -15.782 -25.278 50.421 1.00 0.00 H ATOM 23 HD3 LYS A 2 -16.330 -25.280 48.748 1.00 0.00 H ATOM 24 HE2 LYS A 2 -16.738 -23.017 50.691 1.00 0.00 H ATOM 25 HE3 LYS A 2 -15.450 -23.093 49.491 1.00 0.00 H ATOM 26 HZ1 LYS A 2 -18.294 -22.658 48.979 1.00 0.00 H ATOM 27 N ALA A 3 -16.098 -27.642 47.684 1.00 0.00 N ATOM 28 CA ALA A 3 -14.993 -27.286 46.791 1.00 0.00 C ATOM 29 C ALA A 3 -15.480 -27.112 45.354 1.00 0.00 C ATOM 30 O ALA A 3 -15.100 -26.158 44.673 1.00 0.00 O ATOM 31 CB ALA A 3 -13.897 -28.342 46.855 1.00 0.00 C ATOM 32 H ALA A 3 -15.993 -28.405 48.290 1.00 0.00 H ATOM 33 HA ALA A 3 -14.577 -26.351 47.134 1.00 0.00 H ATOM 34 HB1 ALA A 3 -14.299 -29.297 46.551 1.00 0.00 H ATOM 35 HB2 ALA A 3 -13.525 -28.414 47.866 1.00 0.00 H ATOM 36 HB3 ALA A 3 -13.090 -28.065 46.193 1.00 0.00 H ATOM 37 N ALA A 4 -16.334 -28.032 44.909 1.00 0.00 N ATOM 38 CA ALA A 4 -16.894 -27.981 43.562 1.00 0.00 C ATOM 39 C ALA A 4 -18.002 -26.930 43.462 1.00 0.00 C ATOM 40 O ALA A 4 -18.141 -26.261 42.437 1.00 0.00 O ATOM 41 CB ALA A 4 -17.422 -29.349 43.154 1.00 0.00 C ATOM 42 H ALA A 4 -16.603 -28.760 45.507 1.00 0.00 H ATOM 43 HA ALA A 4 -16.099 -27.711 42.883 1.00 0.00 H ATOM 44 HB1 ALA A 4 -16.622 -30.073 43.203 1.00 0.00 H ATOM 45 HB2 ALA A 4 -17.802 -29.302 42.144 1.00 0.00 H ATOM 46 HB3 ALA A 4 -18.215 -29.644 43.824 1.00 0.00 H ATOM 47 N ALA A 5 -18.796 -26.804 44.532 1.00 0.00 N ATOM 48 CA ALA A 5 -19.904 -25.850 44.571 1.00 0.00 C ATOM 49 C ALA A 5 -19.431 -24.411 44.357 1.00 0.00 C ATOM 50 O ALA A 5 -19.739 -23.801 43.332 1.00 0.00 O ATOM 51 CB ALA A 5 -20.659 -25.971 45.888 1.00 0.00 C ATOM 52 H ALA A 5 -18.635 -27.376 45.310 1.00 0.00 H ATOM 53 HA ALA A 5 -20.585 -26.107 43.775 1.00 0.00 H ATOM 54 HB1 ALA A 5 -19.974 -25.832 46.711 1.00 0.00 H ATOM 55 HB2 ALA A 5 -21.108 -26.951 45.956 1.00 0.00 H ATOM 56 HB3 ALA A 5 -21.432 -25.217 45.931 1.00 0.00 H ATOM 57 N ASP A 6 -18.683 -23.870 45.323 1.00 0.00 N ATOM 58 CA ASP A 6 -18.181 -22.499 45.214 1.00 0.00 C ATOM 59 C ASP A 6 -16.848 -22.443 44.460 1.00 0.00 C ATOM 60 O ASP A 6 -16.517 -21.428 43.847 1.00 0.00 O ATOM 61 CB ASP A 6 -18.048 -21.837 46.599 1.00 0.00 C ATOM 62 CG ASP A 6 -16.976 -22.453 47.489 1.00 0.00 C ATOM 63 OD1 ASP A 6 -15.817 -22.580 47.090 1.00 0.00 O ATOM 64 H ASP A 6 -18.468 -24.402 46.117 1.00 0.00 H ATOM 65 HA ASP A 6 -18.908 -21.941 44.643 1.00 0.00 H ATOM 66 HB2 ASP A 6 -17.809 -20.794 46.463 1.00 0.00 H ATOM 67 HB3 ASP A 6 -18.997 -21.913 47.110 1.00 0.00 H HETATM 68 N NH2 A 7 -16.082 -23.531 44.498 1.00 0.00 N HETATM 69 HN1 NH2 A 7 -16.399 -24.309 45.004 1.00 0.00 H HETATM 70 HN2 NH2 A 7 -15.229 -23.511 44.016 1.00 0.00 H TER 71 NH2 A 7 ENDMDL MODEL 14 HETATM 1 C ACE A 1 -18.469 -29.632 47.803 1.00 0.00 C HETATM 2 O ACE A 1 -18.770 -29.226 46.676 1.00 0.00 O HETATM 3 CH3 ACE A 1 -18.361 -31.006 48.060 1.00 0.00 C HETATM 4 H1 ACE A 1 -19.093 -31.295 48.798 1.00 0.00 H HETATM 5 H2 ACE A 1 -17.374 -31.228 48.434 1.00 0.00 H HETATM 6 H3 ACE A 1 -18.533 -31.557 47.145 1.00 0.00 H ATOM 7 N LYS A 2 -18.232 -28.804 48.824 1.00 0.00 N ATOM 8 CA LYS A 2 -18.316 -27.353 48.667 1.00 0.00 C ATOM 9 C LYS A 2 -17.281 -26.845 47.666 1.00 0.00 C ATOM 10 O LYS A 2 -17.551 -25.908 46.920 1.00 0.00 O ATOM 11 CB LYS A 2 -18.132 -26.638 50.010 1.00 0.00 C ATOM 12 CG LYS A 2 -18.355 -25.135 49.919 1.00 0.00 C ATOM 13 CD LYS A 2 -19.794 -24.809 49.540 1.00 0.00 C ATOM 14 CE LYS A 2 -19.970 -23.340 49.186 1.00 0.00 C ATOM 15 NZ LYS A 2 -19.375 -23.003 47.890 1.00 0.00 N1+ ATOM 16 H LYS A 2 -17.996 -29.178 49.700 1.00 0.00 H ATOM 17 HA LYS A 2 -19.299 -27.125 48.286 1.00 0.00 H ATOM 18 HB2 LYS A 2 -18.834 -27.045 50.722 1.00 0.00 H ATOM 19 HB3 LYS A 2 -17.127 -26.811 50.364 1.00 0.00 H ATOM 20 HG2 LYS A 2 -18.138 -24.690 50.880 1.00 0.00 H ATOM 21 HG3 LYS A 2 -17.692 -24.725 49.173 1.00 0.00 H ATOM 22 HD2 LYS A 2 -20.074 -25.408 48.686 1.00 0.00 H ATOM 23 HD3 LYS A 2 -20.438 -25.049 50.374 1.00 0.00 H ATOM 24 HE2 LYS A 2 -21.026 -23.116 49.154 1.00 0.00 H ATOM 25 HE3 LYS A 2 -19.500 -22.741 49.953 1.00 0.00 H ATOM 26 HZ1 LYS A 2 -18.636 -23.558 47.580 1.00 0.00 H ATOM 27 N ALA A 3 -16.097 -27.466 47.654 1.00 0.00 N ATOM 28 CA ALA A 3 -15.029 -27.070 46.735 1.00 0.00 C ATOM 29 C ALA A 3 -15.549 -26.974 45.301 1.00 0.00 C ATOM 30 O ALA A 3 -15.245 -26.020 44.584 1.00 0.00 O ATOM 31 CB ALA A 3 -13.869 -28.052 46.814 1.00 0.00 C ATOM 32 H ALA A 3 -15.941 -28.208 48.275 1.00 0.00 H ATOM 33 HA ALA A 3 -14.671 -26.099 47.041 1.00 0.00 H ATOM 34 HB1 ALA A 3 -13.487 -28.077 47.824 1.00 0.00 H ATOM 35 HB2 ALA A 3 -13.085 -27.738 46.141 1.00 0.00 H ATOM 36 HB3 ALA A 3 -14.210 -29.037 46.535 1.00 0.00 H ATOM 37 N ALA A 4 -16.350 -27.962 44.900 1.00 0.00 N ATOM 38 CA ALA A 4 -16.933 -27.989 43.561 1.00 0.00 C ATOM 39 C ALA A 4 -18.041 -26.945 43.422 1.00 0.00 C ATOM 40 O ALA A 4 -18.129 -26.254 42.405 1.00 0.00 O ATOM 41 CB ALA A 4 -17.469 -29.378 43.244 1.00 0.00 C ATOM 42 H ALA A 4 -16.562 -28.686 45.526 1.00 0.00 H ATOM 43 HA ALA A 4 -16.151 -27.761 42.855 1.00 0.00 H ATOM 44 HB1 ALA A 4 -16.668 -30.098 43.317 1.00 0.00 H ATOM 45 HB2 ALA A 4 -17.872 -29.389 42.241 1.00 0.00 H ATOM 46 HB3 ALA A 4 -18.248 -29.633 43.947 1.00 0.00 H ATOM 47 N ALA A 5 -18.886 -26.840 44.452 1.00 0.00 N ATOM 48 CA ALA A 5 -19.995 -25.884 44.452 1.00 0.00 C ATOM 49 C ALA A 5 -19.497 -24.437 44.414 1.00 0.00 C ATOM 50 O ALA A 5 -19.936 -23.645 43.579 1.00 0.00 O ATOM 51 CB ALA A 5 -20.882 -26.105 45.670 1.00 0.00 C ATOM 52 H ALA A 5 -18.759 -27.423 45.230 1.00 0.00 H ATOM 53 HA ALA A 5 -20.588 -26.067 43.570 1.00 0.00 H ATOM 54 HB1 ALA A 5 -21.715 -25.417 45.638 1.00 0.00 H ATOM 55 HB2 ALA A 5 -20.309 -25.935 46.569 1.00 0.00 H ATOM 56 HB3 ALA A 5 -21.253 -27.119 45.665 1.00 0.00 H ATOM 57 N ASP A 6 -18.578 -24.105 45.322 1.00 0.00 N ATOM 58 CA ASP A 6 -18.012 -22.756 45.399 1.00 0.00 C ATOM 59 C ASP A 6 -16.825 -22.694 46.371 1.00 0.00 C ATOM 60 O ASP A 6 -16.794 -21.867 47.284 1.00 0.00 O ATOM 61 CB ASP A 6 -19.092 -21.727 45.791 1.00 0.00 C ATOM 62 CG ASP A 6 -19.797 -21.984 47.131 1.00 0.00 C ATOM 63 OD1 ASP A 6 -20.724 -21.251 47.480 1.00 0.00 O ATOM 64 H ASP A 6 -18.271 -24.786 45.955 1.00 0.00 H ATOM 65 HA ASP A 6 -17.647 -22.507 44.413 1.00 0.00 H ATOM 66 HB2 ASP A 6 -18.634 -20.752 45.844 1.00 0.00 H ATOM 67 HB3 ASP A 6 -19.845 -21.710 45.015 1.00 0.00 H HETATM 68 N NH2 A 7 -15.845 -23.569 46.169 1.00 0.00 N HETATM 69 HN1 NH2 A 7 -15.931 -24.201 45.425 1.00 0.00 H HETATM 70 HN2 NH2 A 7 -15.075 -23.548 46.774 1.00 0.00 H TER 71 NH2 A 7 ENDMDL MODEL 15 HETATM 1 C ACE A 1 -19.176 -28.883 47.618 1.00 0.00 C HETATM 2 O ACE A 1 -19.404 -28.215 46.611 1.00 0.00 O HETATM 3 CH3 ACE A 1 -19.523 -30.241 47.665 1.00 0.00 C HETATM 4 H1 ACE A 1 -20.005 -30.523 46.742 1.00 0.00 H HETATM 5 H2 ACE A 1 -20.200 -30.412 48.486 1.00 0.00 H HETATM 6 H3 ACE A 1 -18.630 -30.835 47.804 1.00 0.00 H ATOM 7 N LYS A 2 -18.595 -28.369 48.705 1.00 0.00 N ATOM 8 CA LYS A 2 -18.187 -26.965 48.776 1.00 0.00 C ATOM 9 C LYS A 2 -17.089 -26.642 47.763 1.00 0.00 C ATOM 10 O LYS A 2 -17.130 -25.600 47.110 1.00 0.00 O ATOM 11 CB LYS A 2 -17.710 -26.618 50.191 1.00 0.00 C ATOM 12 CG LYS A 2 -18.839 -26.433 51.195 1.00 0.00 C ATOM 13 CD LYS A 2 -19.344 -24.990 51.255 1.00 0.00 C ATOM 14 CE LYS A 2 -19.929 -24.510 49.929 1.00 0.00 C ATOM 15 NZ LYS A 2 -18.902 -24.039 48.996 1.00 0.00 N1+ ATOM 16 H LYS A 2 -18.437 -28.950 49.479 1.00 0.00 H ATOM 17 HA LYS A 2 -19.051 -26.365 48.545 1.00 0.00 H ATOM 18 HB2 LYS A 2 -17.071 -27.413 50.546 1.00 0.00 H ATOM 19 HB3 LYS A 2 -17.138 -25.703 50.152 1.00 0.00 H ATOM 20 HG2 LYS A 2 -19.661 -27.075 50.916 1.00 0.00 H ATOM 21 HG3 LYS A 2 -18.482 -26.716 52.175 1.00 0.00 H ATOM 22 HD2 LYS A 2 -20.111 -24.924 52.011 1.00 0.00 H ATOM 23 HD3 LYS A 2 -18.520 -24.346 51.525 1.00 0.00 H ATOM 24 HE2 LYS A 2 -20.466 -25.327 49.471 1.00 0.00 H ATOM 25 HE3 LYS A 2 -20.616 -23.700 50.129 1.00 0.00 H ATOM 26 HZ1 LYS A 2 -18.021 -24.462 49.041 1.00 0.00 H ATOM 27 N ALA A 3 -16.108 -27.533 47.641 1.00 0.00 N ATOM 28 CA ALA A 3 -14.997 -27.330 46.710 1.00 0.00 C ATOM 29 C ALA A 3 -15.484 -27.175 45.269 1.00 0.00 C ATOM 30 O ALA A 3 -15.057 -26.263 44.559 1.00 0.00 O ATOM 31 CB ALA A 3 -14.006 -28.482 46.811 1.00 0.00 C ATOM 32 H ALA A 3 -16.126 -28.343 48.193 1.00 0.00 H ATOM 33 HA ALA A 3 -14.485 -26.426 47.002 1.00 0.00 H ATOM 34 HB1 ALA A 3 -13.630 -28.546 47.822 1.00 0.00 H ATOM 35 HB2 ALA A 3 -13.185 -28.312 46.131 1.00 0.00 H ATOM 36 HB3 ALA A 3 -14.501 -29.407 46.553 1.00 0.00 H ATOM 37 N ALA A 4 -16.372 -28.072 44.842 1.00 0.00 N ATOM 38 CA ALA A 4 -16.909 -28.044 43.481 1.00 0.00 C ATOM 39 C ALA A 4 -17.942 -26.933 43.288 1.00 0.00 C ATOM 40 O ALA A 4 -17.871 -26.174 42.320 1.00 0.00 O ATOM 41 CB ALA A 4 -17.516 -29.394 43.127 1.00 0.00 C ATOM 42 H ALA A 4 -16.667 -28.777 45.457 1.00 0.00 H ATOM 43 HA ALA A 4 -16.086 -27.865 42.810 1.00 0.00 H ATOM 44 HB1 ALA A 4 -17.892 -29.366 42.115 1.00 0.00 H ATOM 45 HB2 ALA A 4 -18.326 -29.614 43.806 1.00 0.00 H ATOM 46 HB3 ALA A 4 -16.760 -30.161 43.210 1.00 0.00 H ATOM 47 N ALA A 5 -18.909 -26.855 44.201 1.00 0.00 N ATOM 48 CA ALA A 5 -19.970 -25.851 44.122 1.00 0.00 C ATOM 49 C ALA A 5 -19.435 -24.431 44.301 1.00 0.00 C ATOM 50 O ALA A 5 -19.619 -23.579 43.430 1.00 0.00 O ATOM 51 CB ALA A 5 -21.052 -26.140 45.153 1.00 0.00 C ATOM 52 H ALA A 5 -18.914 -27.498 44.940 1.00 0.00 H ATOM 53 HA ALA A 5 -20.419 -25.927 43.144 1.00 0.00 H ATOM 54 HB1 ALA A 5 -21.875 -25.455 45.015 1.00 0.00 H ATOM 55 HB2 ALA A 5 -20.645 -26.016 46.146 1.00 0.00 H ATOM 56 HB3 ALA A 5 -21.404 -27.154 45.032 1.00 0.00 H ATOM 57 N ASP A 6 -18.778 -24.183 45.432 1.00 0.00 N ATOM 58 CA ASP A 6 -18.222 -22.862 45.726 1.00 0.00 C ATOM 59 C ASP A 6 -16.962 -22.598 44.901 1.00 0.00 C ATOM 60 O ASP A 6 -16.810 -21.530 44.308 1.00 0.00 O ATOM 61 CB ASP A 6 -17.909 -22.723 47.220 1.00 0.00 C ATOM 62 CG ASP A 6 -19.098 -23.071 48.100 1.00 0.00 C ATOM 63 OD1 ASP A 6 -20.171 -22.478 47.975 1.00 0.00 O ATOM 64 H ASP A 6 -18.669 -24.904 46.086 1.00 0.00 H ATOM 65 HA ASP A 6 -18.967 -22.126 45.457 1.00 0.00 H ATOM 66 HB2 ASP A 6 -17.092 -23.382 47.474 1.00 0.00 H ATOM 67 HB3 ASP A 6 -17.619 -21.703 47.427 1.00 0.00 H HETATM 68 N NH2 A 7 -16.055 -23.573 44.859 1.00 0.00 N HETATM 69 HN1 NH2 A 7 -16.238 -24.401 45.352 1.00 0.00 H HETATM 70 HN2 NH2 A 7 -15.242 -23.423 44.335 1.00 0.00 H TER 71 NH2 A 7 ENDMDL MODEL 16 HETATM 1 C ACE A 1 -19.175 -28.885 47.619 1.00 0.00 C HETATM 2 O ACE A 1 -19.406 -28.216 46.611 1.00 0.00 O HETATM 3 CH3 ACE A 1 -19.521 -30.243 47.665 1.00 0.00 C HETATM 4 H1 ACE A 1 -20.030 -30.517 46.755 1.00 0.00 H HETATM 5 H2 ACE A 1 -20.175 -30.420 48.505 1.00 0.00 H HETATM 6 H3 ACE A 1 -18.624 -30.839 47.773 1.00 0.00 H ATOM 7 N LYS A 2 -18.593 -28.371 48.705 1.00 0.00 N ATOM 8 CA LYS A 2 -18.186 -26.966 48.776 1.00 0.00 C ATOM 9 C LYS A 2 -17.088 -26.643 47.763 1.00 0.00 C ATOM 10 O LYS A 2 -17.131 -25.601 47.110 1.00 0.00 O ATOM 11 CB LYS A 2 -17.709 -26.619 50.191 1.00 0.00 C ATOM 12 CG LYS A 2 -18.838 -26.434 51.196 1.00 0.00 C ATOM 13 CD LYS A 2 -19.343 -24.992 51.255 1.00 0.00 C ATOM 14 CE LYS A 2 -19.929 -24.511 49.929 1.00 0.00 C ATOM 15 NZ LYS A 2 -18.901 -24.040 48.996 1.00 0.00 N1+ ATOM 16 H LYS A 2 -18.434 -28.952 49.479 1.00 0.00 H ATOM 17 HA LYS A 2 -19.051 -26.367 48.546 1.00 0.00 H ATOM 18 HB2 LYS A 2 -17.071 -27.414 50.546 1.00 0.00 H ATOM 19 HB3 LYS A 2 -17.136 -25.704 50.153 1.00 0.00 H ATOM 20 HG2 LYS A 2 -19.659 -27.076 50.917 1.00 0.00 H ATOM 21 HG3 LYS A 2 -18.479 -26.717 52.175 1.00 0.00 H ATOM 22 HD2 LYS A 2 -20.110 -24.925 52.012 1.00 0.00 H ATOM 23 HD3 LYS A 2 -18.519 -24.347 51.525 1.00 0.00 H ATOM 24 HE2 LYS A 2 -20.464 -25.329 49.471 1.00 0.00 H ATOM 25 HE3 LYS A 2 -20.615 -23.702 50.129 1.00 0.00 H ATOM 26 HZ1 LYS A 2 -18.020 -24.464 49.040 1.00 0.00 H ATOM 27 N ALA A 3 -16.106 -27.532 47.641 1.00 0.00 N ATOM 28 CA ALA A 3 -14.997 -27.329 46.710 1.00 0.00 C ATOM 29 C ALA A 3 -15.484 -27.174 45.269 1.00 0.00 C ATOM 30 O ALA A 3 -15.058 -26.262 44.557 1.00 0.00 O ATOM 31 CB ALA A 3 -14.005 -28.479 46.810 1.00 0.00 C ATOM 32 H ALA A 3 -16.125 -28.342 48.193 1.00 0.00 H ATOM 33 HA ALA A 3 -14.486 -26.424 47.000 1.00 0.00 H ATOM 34 HB1 ALA A 3 -13.185 -28.309 46.127 1.00 0.00 H ATOM 35 HB2 ALA A 3 -14.499 -29.405 46.556 1.00 0.00 H ATOM 36 HB3 ALA A 3 -13.625 -28.540 47.819 1.00 0.00 H ATOM 37 N ALA A 4 -16.372 -28.073 44.843 1.00 0.00 N ATOM 38 CA ALA A 4 -16.910 -28.045 43.483 1.00 0.00 C ATOM 39 C ALA A 4 -17.943 -26.933 43.288 1.00 0.00 C ATOM 40 O ALA A 4 -17.871 -26.176 42.319 1.00 0.00 O ATOM 41 CB ALA A 4 -17.517 -29.395 43.130 1.00 0.00 C ATOM 42 H ALA A 4 -16.666 -28.777 45.458 1.00 0.00 H ATOM 43 HA ALA A 4 -16.087 -27.868 42.810 1.00 0.00 H ATOM 44 HB1 ALA A 4 -17.891 -29.368 42.117 1.00 0.00 H ATOM 45 HB2 ALA A 4 -18.328 -29.614 43.809 1.00 0.00 H ATOM 46 HB3 ALA A 4 -16.762 -30.162 43.213 1.00 0.00 H ATOM 47 N ALA A 5 -18.908 -26.855 44.202 1.00 0.00 N ATOM 48 CA ALA A 5 -19.971 -25.849 44.121 1.00 0.00 C ATOM 49 C ALA A 5 -19.434 -24.431 44.301 1.00 0.00 C ATOM 50 O ALA A 5 -19.619 -23.578 43.430 1.00 0.00 O ATOM 51 CB ALA A 5 -21.053 -26.139 45.153 1.00 0.00 C ATOM 52 H ALA A 5 -18.915 -27.497 44.941 1.00 0.00 H ATOM 53 HA ALA A 5 -20.419 -25.926 43.143 1.00 0.00 H ATOM 54 HB1 ALA A 5 -20.647 -26.014 46.146 1.00 0.00 H ATOM 55 HB2 ALA A 5 -21.403 -27.154 45.033 1.00 0.00 H ATOM 56 HB3 ALA A 5 -21.877 -25.456 45.012 1.00 0.00 H ATOM 57 N ASP A 6 -18.778 -24.183 45.432 1.00 0.00 N ATOM 58 CA ASP A 6 -18.222 -22.862 45.726 1.00 0.00 C ATOM 59 C ASP A 6 -16.962 -22.599 44.901 1.00 0.00 C ATOM 60 O ASP A 6 -16.809 -21.531 44.308 1.00 0.00 O ATOM 61 CB ASP A 6 -17.908 -22.724 47.221 1.00 0.00 C ATOM 62 CG ASP A 6 -19.097 -23.072 48.101 1.00 0.00 C ATOM 63 OD1 ASP A 6 -20.170 -22.478 47.977 1.00 0.00 O ATOM 64 H ASP A 6 -18.669 -24.904 46.086 1.00 0.00 H ATOM 65 HA ASP A 6 -18.966 -22.127 45.459 1.00 0.00 H ATOM 66 HB2 ASP A 6 -17.091 -23.383 47.473 1.00 0.00 H ATOM 67 HB3 ASP A 6 -17.618 -21.705 47.428 1.00 0.00 H HETATM 68 N NH2 A 7 -16.055 -23.573 44.860 1.00 0.00 N HETATM 69 HN1 NH2 A 7 -16.237 -24.401 45.354 1.00 0.00 H HETATM 70 HN2 NH2 A 7 -15.240 -23.424 44.336 1.00 0.00 H TER 71 NH2 A 7 ENDMDL MODEL 17 HETATM 1 C ACE A 1 -19.174 -28.885 47.619 1.00 0.00 C HETATM 2 O ACE A 1 -19.404 -28.217 46.610 1.00 0.00 O HETATM 3 CH3 ACE A 1 -19.522 -30.242 47.665 1.00 0.00 C HETATM 4 H1 ACE A 1 -18.647 -30.831 47.892 1.00 0.00 H HETATM 5 H2 ACE A 1 -19.918 -30.548 46.710 1.00 0.00 H HETATM 6 H3 ACE A 1 -20.269 -30.395 48.433 1.00 0.00 H ATOM 7 N LYS A 2 -18.595 -28.370 48.704 1.00 0.00 N ATOM 8 CA LYS A 2 -18.187 -26.966 48.775 1.00 0.00 C ATOM 9 C LYS A 2 -17.089 -26.643 47.762 1.00 0.00 C ATOM 10 O LYS A 2 -17.130 -25.602 47.109 1.00 0.00 O ATOM 11 CB LYS A 2 -17.709 -26.618 50.191 1.00 0.00 C ATOM 12 CG LYS A 2 -18.839 -26.432 51.194 1.00 0.00 C ATOM 13 CD LYS A 2 -19.343 -24.989 51.253 1.00 0.00 C ATOM 14 CE LYS A 2 -19.929 -24.508 49.927 1.00 0.00 C ATOM 15 NZ LYS A 2 -18.900 -24.038 48.995 1.00 0.00 N1+ ATOM 16 H LYS A 2 -18.437 -28.950 49.479 1.00 0.00 H ATOM 17 HA LYS A 2 -19.051 -26.366 48.544 1.00 0.00 H ATOM 18 HB2 LYS A 2 -17.071 -27.413 50.546 1.00 0.00 H ATOM 19 HB3 LYS A 2 -17.137 -25.703 50.151 1.00 0.00 H ATOM 20 HG2 LYS A 2 -19.661 -27.074 50.915 1.00 0.00 H ATOM 21 HG3 LYS A 2 -18.482 -26.716 52.174 1.00 0.00 H ATOM 22 HD2 LYS A 2 -20.110 -24.922 52.010 1.00 0.00 H ATOM 23 HD3 LYS A 2 -18.519 -24.346 51.524 1.00 0.00 H ATOM 24 HE2 LYS A 2 -20.465 -25.326 49.470 1.00 0.00 H ATOM 25 HE3 LYS A 2 -20.615 -23.698 50.128 1.00 0.00 H ATOM 26 HZ1 LYS A 2 -18.021 -24.462 49.038 1.00 0.00 H ATOM 27 N ALA A 3 -16.107 -27.533 47.641 1.00 0.00 N ATOM 28 CA ALA A 3 -14.996 -27.331 46.710 1.00 0.00 C ATOM 29 C ALA A 3 -15.483 -27.175 45.269 1.00 0.00 C ATOM 30 O ALA A 3 -15.056 -26.263 44.558 1.00 0.00 O ATOM 31 CB ALA A 3 -14.006 -28.483 46.810 1.00 0.00 C ATOM 32 H ALA A 3 -16.126 -28.342 48.193 1.00 0.00 H ATOM 33 HA ALA A 3 -14.485 -26.426 47.001 1.00 0.00 H ATOM 34 HB1 ALA A 3 -13.180 -28.307 46.137 1.00 0.00 H ATOM 35 HB2 ALA A 3 -14.498 -29.405 46.543 1.00 0.00 H ATOM 36 HB3 ALA A 3 -13.635 -28.552 47.823 1.00 0.00 H ATOM 37 N ALA A 4 -16.371 -28.073 44.842 1.00 0.00 N ATOM 38 CA ALA A 4 -16.909 -28.043 43.482 1.00 0.00 C ATOM 39 C ALA A 4 -17.942 -26.933 43.288 1.00 0.00 C ATOM 40 O ALA A 4 -17.871 -26.175 42.320 1.00 0.00 O ATOM 41 CB ALA A 4 -17.515 -29.394 43.128 1.00 0.00 C ATOM 42 H ALA A 4 -16.667 -28.778 45.456 1.00 0.00 H ATOM 43 HA ALA A 4 -16.086 -27.866 42.810 1.00 0.00 H ATOM 44 HB1 ALA A 4 -18.307 -29.627 43.824 1.00 0.00 H ATOM 45 HB2 ALA A 4 -16.753 -30.157 43.181 1.00 0.00 H ATOM 46 HB3 ALA A 4 -17.916 -29.358 42.125 1.00 0.00 H ATOM 47 N ALA A 5 -18.908 -26.856 44.202 1.00 0.00 N ATOM 48 CA ALA A 5 -19.971 -25.851 44.122 1.00 0.00 C ATOM 49 C ALA A 5 -19.434 -24.431 44.300 1.00 0.00 C ATOM 50 O ALA A 5 -19.619 -23.579 43.430 1.00 0.00 O ATOM 51 CB ALA A 5 -21.052 -26.140 45.155 1.00 0.00 C ATOM 52 H ALA A 5 -18.913 -27.498 44.941 1.00 0.00 H ATOM 53 HA ALA A 5 -20.420 -25.927 43.145 1.00 0.00 H ATOM 54 HB1 ALA A 5 -20.643 -26.019 46.147 1.00 0.00 H ATOM 55 HB2 ALA A 5 -21.404 -27.154 45.032 1.00 0.00 H ATOM 56 HB3 ALA A 5 -21.874 -25.454 45.017 1.00 0.00 H ATOM 57 N ASP A 6 -18.778 -24.183 45.433 1.00 0.00 N ATOM 58 CA ASP A 6 -18.222 -22.861 45.725 1.00 0.00 C ATOM 59 C ASP A 6 -16.963 -22.598 44.899 1.00 0.00 C ATOM 60 O ASP A 6 -16.809 -21.529 44.307 1.00 0.00 O ATOM 61 CB ASP A 6 -17.908 -22.722 47.220 1.00 0.00 C ATOM 62 CG ASP A 6 -19.096 -23.070 48.100 1.00 0.00 C ATOM 63 OD1 ASP A 6 -20.169 -22.474 47.976 1.00 0.00 O ATOM 64 H ASP A 6 -18.668 -24.904 46.087 1.00 0.00 H ATOM 65 HA ASP A 6 -18.967 -22.126 45.457 1.00 0.00 H ATOM 66 HB2 ASP A 6 -17.091 -23.382 47.472 1.00 0.00 H ATOM 67 HB3 ASP A 6 -17.617 -21.702 47.425 1.00 0.00 H HETATM 68 N NH2 A 7 -16.057 -23.573 44.856 1.00 0.00 N HETATM 69 HN1 NH2 A 7 -16.238 -24.401 45.349 1.00 0.00 H HETATM 70 HN2 NH2 A 7 -15.242 -23.424 44.332 1.00 0.00 H TER 71 NH2 A 7 ENDMDL MODEL 18 HETATM 1 C ACE A 1 -19.172 -28.885 47.619 1.00 0.00 C HETATM 2 O ACE A 1 -19.399 -28.218 46.609 1.00 0.00 O HETATM 3 CH3 ACE A 1 -19.519 -30.242 47.666 1.00 0.00 C HETATM 4 H1 ACE A 1 -19.849 -30.566 46.691 1.00 0.00 H HETATM 5 H2 ACE A 1 -20.319 -30.387 48.376 1.00 0.00 H HETATM 6 H3 ACE A 1 -18.658 -30.823 47.968 1.00 0.00 H ATOM 7 N LYS A 2 -18.595 -28.370 48.705 1.00 0.00 N ATOM 8 CA LYS A 2 -18.187 -26.965 48.776 1.00 0.00 C ATOM 9 C LYS A 2 -17.089 -26.642 47.763 1.00 0.00 C ATOM 10 O LYS A 2 -17.129 -25.601 47.111 1.00 0.00 O ATOM 11 CB LYS A 2 -17.710 -26.617 50.191 1.00 0.00 C ATOM 12 CG LYS A 2 -18.840 -26.432 51.195 1.00 0.00 C ATOM 13 CD LYS A 2 -19.345 -24.989 51.254 1.00 0.00 C ATOM 14 CE LYS A 2 -19.929 -24.508 49.929 1.00 0.00 C ATOM 15 NZ LYS A 2 -18.902 -24.038 48.996 1.00 0.00 N1+ ATOM 16 H LYS A 2 -18.438 -28.949 49.481 1.00 0.00 H ATOM 17 HA LYS A 2 -19.051 -26.365 48.545 1.00 0.00 H ATOM 18 HB2 LYS A 2 -17.072 -27.412 50.547 1.00 0.00 H ATOM 19 HB3 LYS A 2 -17.138 -25.701 50.152 1.00 0.00 H ATOM 20 HG2 LYS A 2 -19.662 -27.074 50.916 1.00 0.00 H ATOM 21 HG3 LYS A 2 -18.482 -26.716 52.175 1.00 0.00 H ATOM 22 HD2 LYS A 2 -20.111 -24.922 52.011 1.00 0.00 H ATOM 23 HD3 LYS A 2 -18.519 -24.345 51.525 1.00 0.00 H ATOM 24 HE2 LYS A 2 -20.466 -25.325 49.471 1.00 0.00 H ATOM 25 HE3 LYS A 2 -20.615 -23.698 50.129 1.00 0.00 H ATOM 26 HZ1 LYS A 2 -18.021 -24.462 49.040 1.00 0.00 H ATOM 27 N ALA A 3 -16.107 -27.534 47.641 1.00 0.00 N ATOM 28 CA ALA A 3 -14.997 -27.331 46.710 1.00 0.00 C ATOM 29 C ALA A 3 -15.484 -27.175 45.269 1.00 0.00 C ATOM 30 O ALA A 3 -15.057 -26.263 44.560 1.00 0.00 O ATOM 31 CB ALA A 3 -14.007 -28.484 46.811 1.00 0.00 C ATOM 32 H ALA A 3 -16.127 -28.343 48.193 1.00 0.00 H ATOM 33 HA ALA A 3 -14.486 -26.427 47.002 1.00 0.00 H ATOM 34 HB1 ALA A 3 -13.632 -28.549 47.822 1.00 0.00 H ATOM 35 HB2 ALA A 3 -13.184 -28.311 46.133 1.00 0.00 H ATOM 36 HB3 ALA A 3 -14.501 -29.407 46.550 1.00 0.00 H ATOM 37 N ALA A 4 -16.372 -28.073 44.842 1.00 0.00 N ATOM 38 CA ALA A 4 -16.909 -28.043 43.481 1.00 0.00 C ATOM 39 C ALA A 4 -17.942 -26.933 43.288 1.00 0.00 C ATOM 40 O ALA A 4 -17.871 -26.173 42.320 1.00 0.00 O ATOM 41 CB ALA A 4 -17.516 -29.394 43.126 1.00 0.00 C ATOM 42 H ALA A 4 -16.667 -28.778 45.456 1.00 0.00 H ATOM 43 HA ALA A 4 -16.086 -27.865 42.810 1.00 0.00 H ATOM 44 HB1 ALA A 4 -17.893 -29.364 42.114 1.00 0.00 H ATOM 45 HB2 ALA A 4 -18.324 -29.615 43.806 1.00 0.00 H ATOM 46 HB3 ALA A 4 -16.758 -30.160 43.206 1.00 0.00 H ATOM 47 N ALA A 5 -18.908 -26.856 44.201 1.00 0.00 N ATOM 48 CA ALA A 5 -19.971 -25.850 44.122 1.00 0.00 C ATOM 49 C ALA A 5 -19.435 -24.431 44.301 1.00 0.00 C ATOM 50 O ALA A 5 -19.619 -23.579 43.430 1.00 0.00 O ATOM 51 CB ALA A 5 -21.052 -26.141 45.155 1.00 0.00 C ATOM 52 H ALA A 5 -18.914 -27.499 44.940 1.00 0.00 H ATOM 53 HA ALA A 5 -20.420 -25.927 43.144 1.00 0.00 H ATOM 54 HB1 ALA A 5 -21.402 -27.155 45.035 1.00 0.00 H ATOM 55 HB2 ALA A 5 -21.876 -25.457 45.016 1.00 0.00 H ATOM 56 HB3 ALA A 5 -20.644 -26.016 46.147 1.00 0.00 H ATOM 57 N ASP A 6 -18.779 -24.182 45.432 1.00 0.00 N ATOM 58 CA ASP A 6 -18.222 -22.861 45.726 1.00 0.00 C ATOM 59 C ASP A 6 -16.963 -22.599 44.899 1.00 0.00 C ATOM 60 O ASP A 6 -16.810 -21.530 44.308 1.00 0.00 O ATOM 61 CB ASP A 6 -17.908 -22.723 47.220 1.00 0.00 C ATOM 62 CG ASP A 6 -19.097 -23.070 48.100 1.00 0.00 C ATOM 63 OD1 ASP A 6 -20.170 -22.477 47.975 1.00 0.00 O ATOM 64 H ASP A 6 -18.669 -24.903 46.086 1.00 0.00 H ATOM 65 HA ASP A 6 -18.968 -22.127 45.457 1.00 0.00 H ATOM 66 HB2 ASP A 6 -17.092 -23.382 47.473 1.00 0.00 H ATOM 67 HB3 ASP A 6 -17.618 -21.703 47.426 1.00 0.00 H HETATM 68 N NH2 A 7 -16.057 -23.573 44.857 1.00 0.00 N HETATM 69 HN1 NH2 A 7 -16.239 -24.401 45.351 1.00 0.00 H HETATM 70 HN2 NH2 A 7 -15.242 -23.423 44.332 1.00 0.00 H TER 71 NH2 A 7 ENDMDL MODEL 19 HETATM 1 C ACE A 1 -19.116 -28.947 47.622 1.00 0.00 C HETATM 2 O ACE A 1 -19.444 -28.202 46.696 1.00 0.00 O HETATM 3 CH3 ACE A 1 -19.382 -30.321 47.555 1.00 0.00 C HETATM 4 H1 ACE A 1 -18.453 -30.866 47.476 1.00 0.00 H HETATM 5 H2 ACE A 1 -19.991 -30.532 46.690 1.00 0.00 H HETATM 6 H3 ACE A 1 -19.906 -30.629 48.450 1.00 0.00 H ATOM 7 N LYS A 2 -18.500 -28.501 48.719 1.00 0.00 N ATOM 8 CA LYS A 2 -18.169 -27.087 48.900 1.00 0.00 C ATOM 9 C LYS A 2 -17.154 -26.620 47.860 1.00 0.00 C ATOM 10 O LYS A 2 -17.300 -25.546 47.290 1.00 0.00 O ATOM 11 CB LYS A 2 -17.616 -26.840 50.309 1.00 0.00 C ATOM 12 CG LYS A 2 -17.253 -25.384 50.599 1.00 0.00 C ATOM 13 CD LYS A 2 -18.437 -24.588 51.142 1.00 0.00 C ATOM 14 CE LYS A 2 -19.511 -24.340 50.092 1.00 0.00 C ATOM 15 NZ LYS A 2 -19.076 -23.412 49.045 1.00 0.00 N1+ ATOM 16 H LYS A 2 -18.261 -29.139 49.425 1.00 0.00 H ATOM 17 HA LYS A 2 -19.077 -26.520 48.775 1.00 0.00 H ATOM 18 HB2 LYS A 2 -18.357 -27.151 51.031 1.00 0.00 H ATOM 19 HB3 LYS A 2 -16.728 -27.440 50.442 1.00 0.00 H ATOM 20 HG2 LYS A 2 -16.458 -25.363 51.329 1.00 0.00 H ATOM 21 HG3 LYS A 2 -16.912 -24.922 49.684 1.00 0.00 H ATOM 22 HD2 LYS A 2 -18.875 -25.135 51.962 1.00 0.00 H ATOM 23 HD3 LYS A 2 -18.075 -23.634 51.502 1.00 0.00 H ATOM 24 HE2 LYS A 2 -19.775 -25.281 49.637 1.00 0.00 H ATOM 25 HE3 LYS A 2 -20.381 -23.928 50.582 1.00 0.00 H ATOM 26 HZ1 LYS A 2 -18.410 -22.733 49.285 1.00 0.00 H ATOM 27 N ALA A 3 -16.121 -27.429 47.629 1.00 0.00 N ATOM 28 CA ALA A 3 -15.070 -27.091 46.666 1.00 0.00 C ATOM 29 C ALA A 3 -15.596 -27.018 45.230 1.00 0.00 C ATOM 30 O ALA A 3 -15.259 -26.095 44.487 1.00 0.00 O ATOM 31 CB ALA A 3 -13.930 -28.095 46.756 1.00 0.00 C ATOM 32 H ALA A 3 -16.057 -28.272 48.126 1.00 0.00 H ATOM 33 HA ALA A 3 -14.678 -26.123 46.937 1.00 0.00 H ATOM 34 HB1 ALA A 3 -13.537 -28.104 47.762 1.00 0.00 H ATOM 35 HB2 ALA A 3 -13.148 -27.816 46.067 1.00 0.00 H ATOM 36 HB3 ALA A 3 -14.297 -29.080 46.504 1.00 0.00 H ATOM 37 N ALA A 4 -16.408 -27.999 44.841 1.00 0.00 N ATOM 38 CA ALA A 4 -16.962 -28.048 43.487 1.00 0.00 C ATOM 39 C ALA A 4 -17.979 -26.935 43.237 1.00 0.00 C ATOM 40 O ALA A 4 -17.881 -26.203 42.250 1.00 0.00 O ATOM 41 CB ALA A 4 -17.596 -29.409 43.227 1.00 0.00 C ATOM 42 H ALA A 4 -16.631 -28.712 45.475 1.00 0.00 H ATOM 43 HA ALA A 4 -16.146 -27.927 42.794 1.00 0.00 H ATOM 44 HB1 ALA A 4 -16.848 -30.180 43.331 1.00 0.00 H ATOM 45 HB2 ALA A 4 -18.000 -29.432 42.225 1.00 0.00 H ATOM 46 HB3 ALA A 4 -18.390 -29.578 43.940 1.00 0.00 H ATOM 47 N ALA A 5 -18.959 -26.822 44.129 1.00 0.00 N ATOM 48 CA ALA A 5 -20.011 -25.811 44.008 1.00 0.00 C ATOM 49 C ALA A 5 -19.510 -24.404 44.344 1.00 0.00 C ATOM 50 O ALA A 5 -19.951 -23.424 43.741 1.00 0.00 O ATOM 51 CB ALA A 5 -21.192 -26.172 44.899 1.00 0.00 C ATOM 52 H ALA A 5 -18.981 -27.444 44.886 1.00 0.00 H ATOM 53 HA ALA A 5 -20.355 -25.818 42.986 1.00 0.00 H ATOM 54 HB1 ALA A 5 -21.587 -27.132 44.599 1.00 0.00 H ATOM 55 HB2 ALA A 5 -21.960 -25.420 44.801 1.00 0.00 H ATOM 56 HB3 ALA A 5 -20.866 -26.223 45.927 1.00 0.00 H ATOM 57 N ASP A 6 -18.609 -24.307 45.321 1.00 0.00 N ATOM 58 CA ASP A 6 -18.072 -23.014 45.754 1.00 0.00 C ATOM 59 C ASP A 6 -16.641 -23.145 46.284 1.00 0.00 C ATOM 60 O ASP A 6 -16.359 -22.810 47.437 1.00 0.00 O ATOM 61 CB ASP A 6 -18.985 -22.404 46.829 1.00 0.00 C ATOM 62 CG ASP A 6 -19.541 -23.443 47.795 1.00 0.00 C ATOM 63 OD1 ASP A 6 -20.376 -24.266 47.418 1.00 0.00 O ATOM 64 H ASP A 6 -18.311 -25.121 45.776 1.00 0.00 H ATOM 65 HA ASP A 6 -18.062 -22.360 44.895 1.00 0.00 H ATOM 66 HB2 ASP A 6 -18.424 -21.676 47.397 1.00 0.00 H ATOM 67 HB3 ASP A 6 -19.816 -21.910 46.346 1.00 0.00 H HETATM 68 N NH2 A 7 -15.733 -23.625 45.442 1.00 0.00 N HETATM 69 HN1 NH2 A 7 -16.022 -23.874 44.539 1.00 0.00 H HETATM 70 HN2 NH2 A 7 -14.810 -23.712 45.757 1.00 0.00 H TER 71 NH2 A 7 ENDMDL MODEL 20 HETATM 1 C ACE A 1 -19.115 -28.948 47.622 1.00 0.00 C HETATM 2 O ACE A 1 -19.442 -28.204 46.696 1.00 0.00 O HETATM 3 CH3 ACE A 1 -19.380 -30.323 47.556 1.00 0.00 C HETATM 4 H1 ACE A 1 -18.466 -30.876 47.706 1.00 0.00 H HETATM 5 H2 ACE A 1 -19.787 -30.567 46.588 1.00 0.00 H HETATM 6 H3 ACE A 1 -20.092 -30.588 48.326 1.00 0.00 H ATOM 7 N LYS A 2 -18.499 -28.501 48.720 1.00 0.00 N ATOM 8 CA LYS A 2 -18.170 -27.087 48.901 1.00 0.00 C ATOM 9 C LYS A 2 -17.154 -26.620 47.859 1.00 0.00 C ATOM 10 O LYS A 2 -17.301 -25.545 47.291 1.00 0.00 O ATOM 11 CB LYS A 2 -17.616 -26.839 50.310 1.00 0.00 C ATOM 12 CG LYS A 2 -17.254 -25.383 50.599 1.00 0.00 C ATOM 13 CD LYS A 2 -18.436 -24.586 51.142 1.00 0.00 C ATOM 14 CE LYS A 2 -19.511 -24.339 50.090 1.00 0.00 C ATOM 15 NZ LYS A 2 -19.075 -23.411 49.044 1.00 0.00 N1+ ATOM 16 H LYS A 2 -18.262 -29.139 49.426 1.00 0.00 H ATOM 17 HA LYS A 2 -19.077 -26.521 48.775 1.00 0.00 H ATOM 18 HB2 LYS A 2 -18.356 -27.150 51.031 1.00 0.00 H ATOM 19 HB3 LYS A 2 -16.727 -27.440 50.442 1.00 0.00 H ATOM 20 HG2 LYS A 2 -16.458 -25.362 51.328 1.00 0.00 H ATOM 21 HG3 LYS A 2 -16.911 -24.922 49.683 1.00 0.00 H ATOM 22 HD2 LYS A 2 -18.876 -25.134 51.962 1.00 0.00 H ATOM 23 HD3 LYS A 2 -18.075 -23.633 51.502 1.00 0.00 H ATOM 24 HE2 LYS A 2 -19.774 -25.280 49.637 1.00 0.00 H ATOM 25 HE3 LYS A 2 -20.381 -23.926 50.581 1.00 0.00 H ATOM 26 HZ1 LYS A 2 -18.408 -22.734 49.285 1.00 0.00 H ATOM 27 N ALA A 3 -16.121 -27.429 47.629 1.00 0.00 N ATOM 28 CA ALA A 3 -15.070 -27.090 46.666 1.00 0.00 C ATOM 29 C ALA A 3 -15.597 -27.017 45.231 1.00 0.00 C ATOM 30 O ALA A 3 -15.259 -26.094 44.487 1.00 0.00 O ATOM 31 CB ALA A 3 -13.930 -28.096 46.756 1.00 0.00 C ATOM 32 H ALA A 3 -16.057 -28.272 48.125 1.00 0.00 H ATOM 33 HA ALA A 3 -14.678 -26.123 46.937 1.00 0.00 H ATOM 34 HB1 ALA A 3 -14.298 -29.081 46.504 1.00 0.00 H ATOM 35 HB2 ALA A 3 -13.536 -28.105 47.761 1.00 0.00 H ATOM 36 HB3 ALA A 3 -13.148 -27.816 46.066 1.00 0.00 H ATOM 37 N ALA A 4 -16.408 -27.999 44.841 1.00 0.00 N ATOM 38 CA ALA A 4 -16.962 -28.048 43.486 1.00 0.00 C ATOM 39 C ALA A 4 -17.979 -26.934 43.237 1.00 0.00 C ATOM 40 O ALA A 4 -17.880 -26.203 42.251 1.00 0.00 O ATOM 41 CB ALA A 4 -17.596 -29.409 43.226 1.00 0.00 C ATOM 42 H ALA A 4 -16.630 -28.713 45.474 1.00 0.00 H ATOM 43 HA ALA A 4 -16.146 -27.927 42.795 1.00 0.00 H ATOM 44 HB1 ALA A 4 -18.390 -29.578 43.938 1.00 0.00 H ATOM 45 HB2 ALA A 4 -16.848 -30.180 43.330 1.00 0.00 H ATOM 46 HB3 ALA A 4 -18.001 -29.432 42.225 1.00 0.00 H ATOM 47 N ALA A 5 -18.960 -26.823 44.129 1.00 0.00 N ATOM 48 CA ALA A 5 -20.011 -25.811 44.009 1.00 0.00 C ATOM 49 C ALA A 5 -19.510 -24.404 44.344 1.00 0.00 C ATOM 50 O ALA A 5 -19.951 -23.425 43.740 1.00 0.00 O ATOM 51 CB ALA A 5 -21.191 -26.172 44.900 1.00 0.00 C ATOM 52 H ALA A 5 -18.981 -27.444 44.885 1.00 0.00 H ATOM 53 HA ALA A 5 -20.356 -25.819 42.987 1.00 0.00 H ATOM 54 HB1 ALA A 5 -21.958 -25.417 44.806 1.00 0.00 H ATOM 55 HB2 ALA A 5 -20.863 -26.227 45.927 1.00 0.00 H ATOM 56 HB3 ALA A 5 -21.590 -27.129 44.598 1.00 0.00 H ATOM 57 N ASP A 6 -18.609 -24.307 45.321 1.00 0.00 N ATOM 58 CA ASP A 6 -18.072 -23.014 45.753 1.00 0.00 C ATOM 59 C ASP A 6 -16.640 -23.144 46.283 1.00 0.00 C ATOM 60 O ASP A 6 -16.358 -22.809 47.435 1.00 0.00 O ATOM 61 CB ASP A 6 -18.984 -22.403 46.829 1.00 0.00 C ATOM 62 CG ASP A 6 -19.540 -23.442 47.795 1.00 0.00 C ATOM 63 OD1 ASP A 6 -20.377 -24.265 47.417 1.00 0.00 O ATOM 64 H ASP A 6 -18.311 -25.122 45.776 1.00 0.00 H ATOM 65 HA ASP A 6 -18.062 -22.359 44.895 1.00 0.00 H ATOM 66 HB2 ASP A 6 -18.423 -21.676 47.397 1.00 0.00 H ATOM 67 HB3 ASP A 6 -19.814 -21.909 46.345 1.00 0.00 H HETATM 68 N NH2 A 7 -15.733 -23.623 45.439 1.00 0.00 N HETATM 69 HN1 NH2 A 7 -16.023 -23.873 44.536 1.00 0.00 H HETATM 70 HN2 NH2 A 7 -14.810 -23.710 45.755 1.00 0.00 H TER 71 NH2 A 7 ENDMDL CONECT 1 2 3 CONECT 2 1 CONECT 3 1 4 5 6 CONECT 4 3 CONECT 5 3 CONECT 6 3 CONECT 15 62 CONECT 62 15 CONECT 68 69 70 CONECT 69 68 CONECT 70 68 MASTER 74 0 2 0 0 0 0 6 35 1 11 1 END