*HEADER NEUROPEPTIDE INHIBITOR 23-JUL-09 SMS20087 *TITLE SOLUTION STRUCTURE OF NOCICEPTIN ANALOGUE(FORM I) *COMPND MOL_ID: 1; *COMPND 2 MOLECULE: NOCICEPTIN ANALOGUE; *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: CHEMICAL SYNTHESIS *KEYWDS HELIX, NOCICEPTIN, SYNTHETIC PEPTIDE MIMETIC, NEUROPEPTIDE INHIBITOR *EXPDTA SOLUTION NMR *NUMMDL 20 *AUTHOR D.P.FAIRLIE !restraints ! dihedral reset ! phi angles !! Gly2 J 5.8 assign (resid 1 and name C ) (resid 2 and name N ) (resid 2 and name CA) (resid 2 and name C ) 1 -65 30 2 !! Gly3 J 5.9 assign (resid 2 and name C ) (resid 3 and name N ) (resid 3 and name CA) (resid 3 and name C ) 1 -65 30 2 !! Gly6 J 5.2 assign (resid 5 and name C ) (resid 6 and name N ) (resid 6 and name CA) (resid 6 and name C ) 1 -65 30 2 !! Lys7 J 4.0 assign (resid 6 and name C ) (resid 7 and name N ) (resid 7 and name CA) (resid 7 and name C ) 1 -65 30 2 !! Arg8 J 4.3 assign (resid 7 and name C ) (resid 8 and name N ) (resid 8 and name CA) (resid 8 and name C ) 1 -65 30 2 !! Lys9 J 5.9 assign (resid 8 and name C ) (resid 9 and name N ) (resid 9 and name CA) (resid 9 and name C ) 1 -65 30 2 !! Ser10 J 5.3 assign (resid 9 and name C ) (resid 10 and name N ) (resid 10 and name CA) (resid 10 and name C ) 1 -65 30 2 !! Asp11 J 5.3 assign (resid 10 and name C ) (resid 11 and name N ) (resid 11 and name CA) (resid 11 and name C ) 1 -65 30 2 !! Arg12 J 5.6 assign (resid 11 and name C ) (resid 12 and name N ) (resid 12 and name CA) (resid 12 and name C ) 1 -65 30 2 !! Gln17 J 5.3 assign (resid 16 and name C ) (resid 17 and name N ) (resid 17 and name CA) (resid 17 and name C ) 1 -65 30 2 !! R13 J 5.3 assign (resid 12 and name C ) (resid 13 and name N ) (resid 13 and name CA) (resid 13 and name C ) 1 -65 30 2 !! K14 J 5.3 assign (resid 13 and name C ) (resid 14 and name N ) (resid 14 and name CA) (resid 14 and name C ) 1 -65 30 2 !! K15 J 6.0 assign (resid 14 and name C ) (resid 15 and name N ) (resid 15 and name CA) (resid 15 and name C ) 1 -65 30 2 !scale 100 !end ! H-Phe-Gly-Gly-Phe-Thr-Gly-[lys-Arg-Lys-Ser-Asp]-Arg-Lys-[Lys-Lys-Asn-Gln-Asp]-NH2 288K 600 MHz !Phe1 assi(resi 1 and name HA )(resi 2 and name HN ) 0.0 0.0 5.0 ! (4) w !Gly2 assi(resi 2 and name HA )(resi 3 and name HN ) 0.0 0.0 3.5 ! (8) m assi(resi 2 and name HA )(resi 4 and name HN ) 0.0 0.0 5.0 ! (5) w o/l !Gly3 assi(resi 3 and name HA )(resi 4 and name HN ) 0.0 0.0 2.7 ! (11) s assi(resi 3 and name HA )(resi 5 and name HN ) 0.0 0.0 5.0 ! (4) w assi(resi 3 and name HN )(resi 4 and name HN ) 0.0 0.0 6.0 ! (3) vw !Phe4 (Phe(4-F) 4) assi(resi 4 and name HA )(resi 5 and name HN ) 0.0 0.0 2.7 ! (15) s assi(resi 4 and name HA )(resi 6 and name HN ) 0.0 0.0 6.0 ! (1) vw assi(resi 4 and name HN )(resi 5 and name HN ) 0.0 0.0 5.0 ! (6) w assi(resi 4 and name HB1 )(resi 5 and name HN ) 0.0 0.0 5.0 ! (4) w assi(resi 4 and name HB2 )(resi 5 and name HN ) 0.0 0.0 5.0 ! (5) w !Thr5 assi(resi 5 and name HA )(resi 6 and name HN ) 0.0 0.0 3.5 ! (12) s to m from viol assi(resi 5 and name HA )(resi 7 and name HN ) 0.0 0.0 6.0 ! (3) vw !assi(resi 5 and name HA )(resi 8 and name HN ) 0.0 0.0 6.0 ! (1) vw o/l viol emin assi(resi 5 and name HN )(resi 6 and name HN ) 0.0 0.0 5.0 ! (10) m to w from viol assi(resi 5 and name HB )(resi 6 and name HN ) 0.0 0.0 5.0 ! (9) m to w from viol assi(resi 5 and name HG* )(resi 6 and name HN ) 0.0 0.0 7.5 ! (3) vw + 1.5 correction !Gly6 assi(resi 6 and name HA )(resi 7 and name HN ) 0.0 0.0 2.7 ! (15) s assi(resi 6 and name HA )(resi 8 and name HN ) 0.0 0.0 4.0 ! (4) w assi(resi 6 and name HA )(resi 9 and name HN ) 0.0 0.0 6.0 ! (3) vw assi(resi 6 and name HN )(resi 7 and name HN ) 0.0 0.0 5.0 ! (6) w !Lys7 assi(resi 7 and name HA )(resi 8 and name HN ) 0.0 0.0 3.5 ! (13) s to m from viol assi(resi 7 and name HA )(resi 9 and name HN ) 0.0 0.0 6.0 ! (3) vw assi(resi 7 and name HA )(resi 10 and name HN ) 0.0 0.0 6.0 ! (3) vw o/l assi(resi 7 and name HN )(resi 8 and name HN ) 0.0 0.0 3.5 ! (9) m !Arg8 assi(resi 8 and name HA )(resi 9 and name HN ) 0.0 0.0 3.5 ! (10) m assi(resi 8 and name HA )(resi 11 and name HN ) 0.0 0.0 5.0 ! (4) w assi(resi 8 and name HA )(resi 12 and name HN ) 0.0 0.0 6.0 ! (3) vw o/l assi(resi 8 and name HN )(resi 9 and name HN ) 0.0 0.0 2.7 ! (12) s assi(resi 8 and name HB* )(resi 9 and name HN ) 0.0 0.0 4.5 ! (7) m + 1.0 correction assi(resi 8 and name HA)(resi 11 and name HB1) 0.0 0.0 5.0 ! (3) w !Lys9 assi(resi 9 and name HA )(resi 10 and name HN ) 0.0 0.0 3.5 ! (14) s to m by o/l assi(resi 9 and name HA )(resi 11 and name HN ) 0.0 0.0 6.0 ! (2) vw assi(resi 9 and name HA )(resi 12 and name HN ) 0.0 0.0 5.0 ! (4) w assi(resi 9 and name HA )(resi 13 and name HN ) 0.0 0.0 6.0 ! (1) vw o/l assi(resi 9 and name HN )(resi 10 and name HN ) 0.0 0.0 3.5 ! (10) m assi(resi 9 and name HB1 )(resi 10 and name HN ) 0.0 0.0 5.0 ! (8) m to w from viol emin assi(resi 9 and name HB2 )(resi 10 and name HN ) 0.0 0.0 5.0 ! (5) w o/l !Ser10 assi(resi 10 and name HA )(resi 11 and name HN ) 0.0 0.0 3.5 ! (14) s to m from viol assi(resi 10 and name HA )(resi 14 and name HN ) 0.0 0.0 5.0 ! (4) w o/l assi(resi 10 and name HN )(resi 11 and name HN ) 0.0 0.0 3.5 ! (10) m assi(resi 10 and name HB*)(resi 12 and name HN ) 0.0 0.0 6.0 ! (4) weak + 1.0 correction !Asp11 assi(resi 11 and name HA )(resi 12 and name HN ) 0.0 0.0 3.5 ! (12) s to m from viol assi(resi 11 and name HA )(resi 14 and name HN ) 0.0 0.0 5.0 ! (6) w assi(resi 11 and name HN )(resi 12 and name HN ) 0.0 0.0 2.7 ! (11) s assi(resi 11 and name HB1 )(resi 12 and name HN ) 0.0 0.0 5.0 ! (7) w assi(resi 11 and name HB2 )(resi 12 and name HN) 0.0 0.0 5.0 ! (5) w o/l assi(resi 11 and name HA )(resi 14 and name HB* ) 0.0 0.0 5.0 ! (6) w !Arg12 assi(resi 12 and name HA )(resi 13 and name HN ) 0.0 0.0 3.5 ! (15) s to m by o/l !assi(resi 12 and name HA )(resi 15 and name HN ) 0.0 0.0 5.0 ! (7) w o/l assi(resi 12 and name HN )(resi 13 and name HN ) 0.0 0.0 3.5 ! (9) m !Lys13 assi(resi 13 and name HA )(resi 14 and name HN ) 0.0 0.0 3.5 ! (10) m o/l assi(resi 13 and name HA )(resi 16 and name HN ) 0.0 0.0 5.0 ! (4) w assi(resi 13 and name HA )(resi 16 and name HN ) 0.0 0.0 5.0 ! (4) w !Lys14 assi(resi 14 and name HA )(resi 15 and name HN ) 0.0 0.0 3.5 ! (13) s to m by o/l assi(resi 14 and name HA )(resi 17 and name HN ) 0.0 0.0 6.0 ! (3) vw o/l assi(resi 14 and name HA )(resi 18 and name HN ) 0.0 0.0 6.0 ! (3) vw assi(resi 14 and name HA )(resi 17 and name HB1 ) 0.0 0.0 3.5 ! (8) m assi(resi 14 and name HN )(resi 15 and name HN ) 0.0 0.0 3.5 ! (8) m assi(resi 14 and name HB1)(resi 15 and name HN ) 0.0 0.0 5.0 ! (4) w a little o/l !Lys15 assi(resi 15 and name HA )(resi 16 and name HN ) 0.0 0.0 3.5 ! (9) m assi(resi 15 and name HA )(resi 18 and name HN ) 0.0 0.0 5.0 ! (5) w assi(resi 15 and name HA )(resi 18 and name HB*) 0.0 0.0 6.0 ! (3) vw assi(resi 15 and name HN )(resi 16 and name HN ) 0.0 0.0 2.7 ! (13) s assi(resi 15 and name HB* )(resi 16 and name HN ) 0.0 0.0 6.0 ! (4) w + 1.0 correction !Asn16 assi(resi 16 and name HA )(resi 17 and name HN ) 0.0 0.0 3.5 ! (9) m assi(resi 16 and name HN )(resi 17 and name HN ) 0.0 0.0 2.7 ! (12)s assi(resi 16 and name HB* )(resi 17 and name HN ) 0.0 0.0 4.5 ! (10) m + 1.0 correction !Gln17 assi(resi 17 and name HA )(resi 18 and name HN ) 0.0 0.0 3.5 ! (12) s to m from viol assi(resi 17 and name HN )(resi 18 and name HN ) 0.0 0.0 3.5 ! (9) m assi(resi 17 and name HB1)(resi 18 and name HN ) 0.0 0.0 5.0 ! (10) m to w from viol !Asp18 assi(resi 18 and name HA )(resi 18 and name H1 ) 0.0 0.0 6.0 ! (1) vw assi(resi 18 and name HN )(resi 18 and name H1 ) 0.0 0.0 5.0 ! (6) w assi(resi 18 and name HN )(resi 18 and name H2 ) 0.0 0.0 6.0 ! (2) vw !H-Bonds assign (resid 9 and name O )(resid 13 and name HN ) 1.88 0.3 0.42 assign (resid 9 and name O )(resid 13 and name N ) 2.88 0.3 0.32 assign (resid 11 and name O )(resid 15 and name HN ) 1.88 0.3 0.42 assign (resid 11 and name O )(resid 15 and name N ) 2.88 0.3 0.32 assign (resid 8 and name O )(resid 12 and name HN ) 1.88 0.3 0.42 assign (resid 8 and name O )(resid 12 and name N ) 2.88 0.3 0.32 assign (resid 13 and name O )(resid 17 and name HN ) 1.88 0.3 0.42 assign (resid 13 and name O )(resid 17 and name N ) 2.88 0.3 0.32 assign (resid 10 and name O )(resid 14 and name HN ) 1.88 0.3 0.42 assign (resid 10 and name O )(resid 14 and name N ) 2.88 0.3 0.32 assign (resid 15 and name O )(resid 18 and name H1 ) 1.88 0.3 0.42 assign (resid 15 and name O )(resid 18 and name NT ) 2.88 0.3 0.32 Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 PHE 1 HN PHE 1 3.193 -8.107 -6.445 2 HA PHE 1 HA PHE 1 4.172 -9.801 -5.216 3 HB2 PHE 1 HB2 PHE 1 6.007 -8.764 -6.485 4 HB3 PHE 1 HB1 PHE 1 6.302 -7.649 -5.157 5 HD1 PHE 1 HD1 PHE 1 5.663 -11.322 -5.121 6 HD2 PHE 1 HD2 PHE 1 8.403 -8.157 -4.345 7 HE1 PHE 1 HE1 PHE 1 7.234 -12.930 -4.121 8 HE2 PHE 1 HE2 PHE 1 9.976 -9.761 -3.344 9 HZ PHE 1 HZ PHE 1 9.393 -12.150 -3.232 10 H GLY 2 HN GLY 2 4.231 -10.640 -3.203 11 HA2 GLY 2 HA2 GLY 2 3.322 -9.172 -0.992 12 HA3 GLY 2 HA1 GLY 2 4.046 -10.771 -0.920 13 H GLY 3 HN GLY 3 6.618 -10.243 -1.816 14 HA2 GLY 3 HA2 GLY 3 7.900 -9.352 0.510 15 HA3 GLY 3 HA1 GLY 3 8.669 -9.561 -1.055 16 H PHE 4 HN PHE 4 7.134 -7.619 -2.481 17 HA PHE 4 HA PHE 4 8.648 -5.316 -2.045 18 HB2 PHE 4 HB2 PHE 4 7.573 -5.811 -4.189 19 HB3 PHE 4 HB1 PHE 4 5.987 -5.591 -3.462 20 HD1 PHE 4 HD1 PHE 4 9.131 -3.580 -3.310 21 HD2 PHE 4 HD2 PHE 4 5.005 -3.716 -4.346 22 HE1 PHE 4 HE1 PHE 4 9.199 -1.188 -3.883 23 HE2 PHE 4 HE2 PHE 4 5.067 -1.326 -4.922 24 HZ PHE 4 HZ PHE 4 7.166 -0.059 -4.691 25 H THR 5 HN THR 5 8.373 -3.484 -0.899 26 HA THR 5 HA THR 5 7.549 -1.959 0.568 27 HB THR 5 HB THR 5 4.858 -3.276 0.131 28 HG1 THR 5 HG1 THR 5 4.978 -2.302 -1.739 29 HG21 THR 5 HG21 THR 5 4.000 -1.043 0.879 30 HG22 THR 5 HG22 THR 5 5.646 -0.638 1.367 31 HG23 THR 5 HG23 THR 5 4.799 -1.976 2.144 32 H GLY 6 HN GLY 6 7.915 -1.975 2.685 33 HA2 GLY 6 HA2 GLY 6 7.555 -4.477 4.159 34 HA3 GLY 6 HA1 GLY 6 8.528 -3.106 4.664 35 H LYS 7 HN LYS 7 5.099 -3.353 3.699 36 HA LYS 7 HA LYS 7 4.354 -1.744 5.992 37 HB2 LYS 7 HB2 LYS 7 2.298 -1.393 4.952 38 HB3 LYS 7 HB1 LYS 7 3.408 -1.527 3.600 39 HG2 LYS 7 HG2 LYS 7 1.424 -3.571 4.567 40 HG3 LYS 7 HG1 LYS 7 1.442 -2.714 3.033 41 HD2 LYS 7 HD2 LYS 7 3.243 -3.965 2.217 42 HD3 LYS 7 HD1 LYS 7 3.694 -4.530 3.827 43 HE2 LYS 7 HE2 LYS 7 1.153 -5.274 2.387 44 HE3 LYS 7 HE1 LYS 7 2.603 -6.276 2.459 45 HZ1 LYS 7 HZ1 LYS 7 2.260 -6.312 4.920 46 H ARG 8 HN ARG 8 5.378 -4.086 6.939 47 HA ARG 8 HA ARG 8 3.636 -6.223 7.321 48 HB2 ARG 8 HB2 ARG 8 5.881 -5.151 9.019 49 HB3 ARG 8 HB1 ARG 8 4.954 -6.561 9.506 50 HG2 ARG 8 HG2 ARG 8 6.925 -7.339 8.449 51 HG3 ARG 8 HG1 ARG 8 5.589 -7.630 7.337 52 HD2 ARG 8 HD2 ARG 8 7.510 -6.775 6.134 53 HD3 ARG 8 HD1 ARG 8 6.199 -5.601 6.094 54 HE ARG 8 HE ARG 8 7.574 -4.131 7.153 55 HH11 ARG 8 HH11 ARG 8 8.800 -7.355 7.781 56 HH12 ARG 8 HH12 ARG 8 10.173 -6.789 8.668 57 HH21 ARG 8 HH21 ARG 8 9.388 -3.399 8.316 58 HH22 ARG 8 HH22 ARG 8 10.509 -4.546 8.970 59 H LYS 9 HN LYS 9 4.012 -3.250 9.192 60 HA LYS 9 HA LYS 9 2.238 -3.862 11.269 61 HB2 LYS 9 HB2 LYS 9 2.232 -1.544 11.814 62 HB3 LYS 9 HB1 LYS 9 3.839 -1.925 11.223 63 HG2 LYS 9 HG2 LYS 9 1.691 -0.638 9.548 64 HG3 LYS 9 HG1 LYS 9 2.919 0.254 10.440 65 HD2 LYS 9 HD2 LYS 9 3.443 -1.758 8.250 66 HD3 LYS 9 HD1 LYS 9 3.517 -0.006 8.079 67 HE2 LYS 9 HE2 LYS 9 5.253 -1.669 9.904 68 HE3 LYS 9 HE1 LYS 9 5.745 -0.999 8.350 69 HZ1 LYS 9 HZ1 LYS 9 6.543 0.498 9.927 70 HZ2 LYS 9 HZ2 LYS 9 5.133 0.442 10.858 71 HZ3 LYS 9 HZ3 LYS 9 5.129 1.236 9.364 72 H SER 10 HN SER 10 1.651 -2.457 8.078 73 HA SER 10 HA SER 10 -1.088 -1.848 8.511 74 HB2 SER 10 HB2 SER 10 0.406 -2.290 5.915 75 HB3 SER 10 HB1 SER 10 -1.199 -1.573 6.060 76 HG SER 10 HG SER 10 1.293 -0.532 6.852 77 H ASP 11 HN ASP 11 0.524 -4.553 6.841 78 HA ASP 11 HA ASP 11 -1.862 -5.923 6.186 79 HB2 ASP 11 HB2 ASP 11 0.966 -6.958 6.476 80 HB3 ASP 11 HB1 ASP 11 -0.371 -7.896 5.819 81 H ARG 12 HN ARG 12 0.312 -6.101 8.963 82 HA ARG 12 HA ARG 12 -0.781 -8.375 10.188 83 HB2 ARG 12 HB2 ARG 12 1.386 -7.361 10.803 84 HB3 ARG 12 HB1 ARG 12 0.540 -5.984 11.487 85 HG2 ARG 12 HG2 ARG 12 0.123 -8.789 12.480 86 HG3 ARG 12 HG1 ARG 12 1.390 -7.736 13.104 87 HD2 ARG 12 HD2 ARG 12 -1.586 -7.255 13.196 88 HD3 ARG 12 HD1 ARG 12 -0.526 -7.611 14.554 89 HE ARG 12 HE ARG 12 -1.019 -5.067 13.420 90 HH11 ARG 12 HH11 ARG 12 1.544 -6.965 14.878 91 HH12 ARG 12 HH12 ARG 12 2.452 -5.577 15.370 92 HH21 ARG 12 HH21 ARG 12 0.183 -3.251 14.075 93 HH22 ARG 12 HH22 ARG 12 1.680 -3.470 14.919 94 H LYS 13 HN LYS 13 -1.479 -4.923 10.772 95 HA LYS 13 HA LYS 13 -3.511 -5.380 12.676 96 HB2 LYS 13 HB2 LYS 13 -4.101 -3.042 12.398 97 HB3 LYS 13 HB1 LYS 13 -2.355 -3.221 12.460 98 HG2 LYS 13 HG2 LYS 13 -2.263 -3.027 10.013 99 HG3 LYS 13 HG1 LYS 13 -4.012 -2.803 9.979 100 HD2 LYS 13 HD2 LYS 13 -2.044 -1.009 11.401 101 HD3 LYS 13 HD1 LYS 13 -2.797 -0.668 9.843 102 HE2 LYS 13 HE2 LYS 13 -5.006 -0.711 10.911 103 HE3 LYS 13 HE1 LYS 13 -4.242 -1.035 12.467 104 HZ1 LYS 13 HZ1 LYS 13 -3.011 1.113 12.127 105 HZ2 LYS 13 HZ2 LYS 13 -4.674 1.264 12.395 106 HZ3 LYS 13 HZ3 LYS 13 -4.053 1.428 10.831 107 H LYS 14 HN LYS 14 -3.626 -4.925 9.166 108 HA LYS 14 HA LYS 14 -6.429 -4.822 8.918 109 HB2 LYS 14 HB2 LYS 14 -5.026 -4.085 7.098 110 HB3 LYS 14 HB1 LYS 14 -4.309 -5.683 6.946 111 HG2 LYS 14 HG2 LYS 14 -5.920 -5.295 5.180 112 HG3 LYS 14 HG1 LYS 14 -6.471 -6.587 6.247 113 HD2 LYS 14 HD2 LYS 14 -7.752 -4.693 7.473 114 HD3 LYS 14 HD1 LYS 14 -7.493 -3.782 5.984 115 HE2 LYS 14 HE2 LYS 14 -9.638 -4.853 5.864 116 HE3 LYS 14 HE1 LYS 14 -8.549 -5.645 4.725 117 HZ1 LYS 14 HZ1 LYS 14 -8.270 -7.367 6.560 118 H LYS 15 HN LYS 15 -4.159 -7.543 8.772 119 HA LYS 15 HA LYS 15 -5.949 -9.556 8.044 120 HB2 LYS 15 HB2 LYS 15 -3.521 -9.874 8.069 121 HB3 LYS 15 HB1 LYS 15 -3.508 -9.744 9.821 122 HG2 LYS 15 HG2 LYS 15 -4.865 -11.781 9.974 123 HG3 LYS 15 HG1 LYS 15 -4.845 -11.915 8.215 124 HD2 LYS 15 HD2 LYS 15 -3.173 -13.382 9.194 125 HD3 LYS 15 HD1 LYS 15 -2.394 -12.097 8.270 126 HE2 LYS 15 HE2 LYS 15 -1.233 -12.473 10.377 127 HE3 LYS 15 HE1 LYS 15 -1.961 -10.868 10.341 128 HZ1 LYS 15 HZ1 LYS 15 -2.229 -12.200 12.457 129 HZ2 LYS 15 HZ2 LYS 15 -3.317 -13.177 11.607 130 HZ3 LYS 15 HZ3 LYS 15 -3.642 -11.529 11.811 131 H ASN 16 HN ASN 16 -5.086 -8.309 11.241 132 HA ASN 16 HA ASN 16 -6.690 -10.142 12.708 133 HB2 ASN 16 HB2 ASN 16 -4.802 -8.963 13.735 134 HB3 ASN 16 HB1 ASN 16 -5.622 -7.423 13.503 135 HD21 ASN 16 HD21 ASN 16 -6.569 -6.667 15.250 136 HD22 ASN 16 HD22 ASN 16 -7.222 -7.606 16.545 137 H GLN 17 HN GLN 17 -7.222 -6.848 11.518 138 HA GLN 17 HA GLN 17 -9.686 -6.363 12.756 139 HB2 GLN 17 HB2 GLN 17 -8.267 -4.648 11.648 140 HB3 GLN 17 HB1 GLN 17 -8.729 -5.308 10.088 141 HG2 GLN 17 HG2 GLN 17 -10.687 -4.184 12.076 142 HG3 GLN 17 HG1 GLN 17 -9.952 -3.246 10.778 143 HE21 GLN 17 HE21 GLN 17 -12.659 -4.842 11.627 144 HE22 GLN 17 HE22 GLN 17 -13.260 -5.274 10.066 145 H ASP 18 HN ASP 18 -9.071 -7.481 9.416 146 HA ASP 18 HA ASP 18 -11.818 -7.976 8.867 147 HB2 ASP 18 HB2 ASP 18 -9.327 -8.966 7.462 148 HB3 ASP 18 HB1 ASP 18 -10.965 -9.167 6.848 149 HN1 NH2 19 HN1 NH2 19 -9.117 -10.270 9.294 150 HN2 NH2 19 HN2 NH2 19 -10.092 -11.562 9.897 Start of MODEL 2 1 H1 PHE 1 HN PHE 1 2.185 -3.241 -1.607 2 HA PHE 1 HA PHE 1 2.782 -5.399 -2.547 3 HB2 PHE 1 HB2 PHE 1 4.239 -3.482 -3.163 4 HB3 PHE 1 HB1 PHE 1 5.289 -3.871 -1.806 5 HD1 PHE 1 HD2 PHE 1 3.690 -5.889 -4.522 6 HD2 PHE 1 HD1 PHE 1 7.271 -4.757 -2.519 7 HE1 PHE 1 HE2 PHE 1 4.977 -7.412 -5.967 8 HE2 PHE 1 HE1 PHE 1 8.561 -6.275 -3.963 9 HZ PHE 1 HZ PHE 1 7.414 -7.604 -5.688 10 H GLY 2 HN GLY 2 3.374 -7.459 -2.135 11 HA2 GLY 2 HA2 GLY 2 3.756 -8.320 0.527 12 HA3 GLY 2 HA1 GLY 2 3.923 -9.319 -0.908 13 H GLY 3 HN GLY 3 6.048 -8.001 -2.177 14 HA2 GLY 3 HA2 GLY 3 8.270 -9.186 -0.982 15 HA3 GLY 3 HA1 GLY 3 8.340 -7.938 -2.216 16 H PHE 4 HN PHE 4 9.841 -8.551 0.390 17 HA PHE 4 HA PHE 4 11.023 -7.317 1.893 18 HB2 PHE 4 HB2 PHE 4 10.973 -5.558 0.055 19 HB3 PHE 4 HB1 PHE 4 9.589 -4.855 0.879 20 HD1 PHE 4 HD2 PHE 4 12.817 -6.241 2.150 21 HD2 PHE 4 HD1 PHE 4 10.236 -2.866 1.828 22 HE1 PHE 4 HE2 PHE 4 14.351 -4.939 3.569 23 HE2 PHE 4 HE1 PHE 4 11.772 -1.555 3.244 24 HZ PHE 4 HZ PHE 4 13.828 -2.593 4.116 25 H THR 5 HN THR 5 10.712 -6.917 4.049 26 HA THR 5 HA THR 5 8.033 -7.203 5.050 27 HB THR 5 HB THR 5 9.853 -8.350 6.182 28 HG1 THR 5 HG1 THR 5 9.155 -7.885 8.229 29 HG21 THR 5 HG21 THR 5 10.868 -5.650 7.065 30 HG22 THR 5 HG22 THR 5 11.585 -6.584 5.752 31 HG23 THR 5 HG23 THR 5 11.582 -7.229 7.393 32 H GLY 6 HN GLY 6 7.886 -4.912 3.687 33 HA2 GLY 6 HA2 GLY 6 8.286 -2.658 5.498 34 HA3 GLY 6 HA1 GLY 6 7.746 -2.573 3.827 35 H LYS 7 HN LYS 7 5.609 -4.344 3.872 36 HA LYS 7 HA LYS 7 3.621 -2.736 5.245 37 HB2 LYS 7 HB2 LYS 7 1.993 -3.980 3.959 38 HB3 LYS 7 HB1 LYS 7 3.303 -3.476 2.897 39 HG2 LYS 7 HG2 LYS 7 4.108 -5.615 2.643 40 HG3 LYS 7 HG1 LYS 7 3.408 -6.174 4.161 41 HD2 LYS 7 HD2 LYS 7 1.174 -5.501 2.772 42 HD3 LYS 7 HD1 LYS 7 2.236 -6.043 1.470 43 HE2 LYS 7 HE2 LYS 7 0.925 -7.905 2.323 44 HE3 LYS 7 HE1 LYS 7 2.636 -8.141 2.679 45 HZ1 LYS 7 HZ1 LYS 7 2.191 -7.632 4.966 46 H ARG 8 HN ARG 8 5.437 -4.667 6.787 47 HA ARG 8 HA ARG 8 3.982 -6.892 7.644 48 HB2 ARG 8 HB2 ARG 8 6.362 -6.556 8.167 49 HB3 ARG 8 HB1 ARG 8 5.946 -5.219 9.228 50 HG2 ARG 8 HG2 ARG 8 6.429 -7.260 10.476 51 HG3 ARG 8 HG1 ARG 8 4.765 -6.729 10.714 52 HD2 ARG 8 HD2 ARG 8 4.857 -9.140 10.412 53 HD3 ARG 8 HD1 ARG 8 4.004 -8.380 9.072 54 HE ARG 8 HE ARG 8 5.568 -9.249 7.675 55 HH11 ARG 8 HH11 ARG 8 7.004 -9.095 10.872 56 HH12 ARG 8 HH12 ARG 8 8.478 -9.852 10.374 57 HH21 ARG 8 HH21 ARG 8 7.510 -10.248 7.038 58 HH22 ARG 8 HH22 ARG 8 8.764 -10.509 8.204 59 H LYS 9 HN LYS 9 3.890 -3.541 8.622 60 HA LYS 9 HA LYS 9 2.162 -3.880 10.859 61 HB2 LYS 9 HB2 LYS 9 3.562 -1.912 10.686 62 HB3 LYS 9 HB1 LYS 9 2.820 -1.469 9.157 63 HG2 LYS 9 HG2 LYS 9 1.974 -0.058 10.900 64 HG3 LYS 9 HG1 LYS 9 0.684 -1.113 10.329 65 HD2 LYS 9 HD2 LYS 9 1.027 -2.585 12.250 66 HD3 LYS 9 HD1 LYS 9 2.339 -1.549 12.816 67 HE2 LYS 9 HE2 LYS 9 -0.562 -0.771 12.522 68 HE3 LYS 9 HE1 LYS 9 0.290 -1.073 14.035 69 HZ1 LYS 9 HZ1 LYS 9 0.563 1.140 13.997 70 HZ2 LYS 9 HZ2 LYS 9 0.328 1.268 12.327 71 HZ3 LYS 9 HZ3 LYS 9 1.838 0.809 12.935 72 H SER 10 HN SER 10 1.652 -3.039 7.451 73 HA SER 10 HA SER 10 -1.097 -2.494 7.598 74 HB2 SER 10 HB2 SER 10 0.514 -3.530 5.257 75 HB3 SER 10 HB1 SER 10 -1.106 -2.845 5.150 76 HG SER 10 HG SER 10 1.140 -1.541 5.026 77 H ASP 11 HN ASP 11 0.559 -5.511 6.634 78 HA ASP 11 HA ASP 11 -1.803 -6.998 6.258 79 HB2 ASP 11 HB2 ASP 11 1.046 -7.838 6.760 80 HB3 ASP 11 HB1 ASP 11 -0.249 -9.013 6.548 81 H ARG 12 HN ARG 12 0.265 -6.568 9.105 82 HA ARG 12 HA ARG 12 -1.044 -8.454 10.751 83 HB2 ARG 12 HB2 ARG 12 1.136 -7.614 11.378 84 HB3 ARG 12 HB1 ARG 12 0.526 -5.967 11.455 85 HG2 ARG 12 HG2 ARG 12 0.848 -6.945 13.674 86 HG3 ARG 12 HG1 ARG 12 -0.838 -6.527 13.375 87 HD2 ARG 12 HD2 ARG 12 -1.277 -8.891 12.788 88 HD3 ARG 12 HD1 ARG 12 0.394 -9.274 13.203 89 HE ARG 12 HE ARG 12 -0.764 -7.997 15.397 90 HH11 ARG 12 HH11 ARG 12 -1.114 -10.997 13.625 91 HH12 ARG 12 HH12 ARG 12 -1.683 -11.884 14.999 92 HH21 ARG 12 HH21 ARG 12 -1.515 -9.169 17.201 93 HH22 ARG 12 HH22 ARG 12 -1.911 -10.846 17.030 94 H LYS 13 HN LYS 13 -1.516 -4.975 10.276 95 HA LYS 13 HA LYS 13 -3.549 -4.586 12.172 96 HB2 LYS 13 HB2 LYS 13 -2.280 -2.773 11.036 97 HB3 LYS 13 HB1 LYS 13 -3.161 -3.121 9.555 98 HG2 LYS 13 HG2 LYS 13 -5.271 -2.605 10.804 99 HG3 LYS 13 HG1 LYS 13 -4.263 -2.052 12.141 100 HD2 LYS 13 HD2 LYS 13 -4.281 -0.936 9.335 101 HD3 LYS 13 HD1 LYS 13 -4.988 -0.176 10.759 102 HE2 LYS 13 HE2 LYS 13 -2.932 0.911 10.459 103 HE3 LYS 13 HE1 LYS 13 -2.642 -0.245 11.757 104 HZ1 LYS 13 HZ1 LYS 13 -2.097 -1.275 9.115 105 HZ2 LYS 13 HZ2 LYS 13 -1.169 -1.365 10.524 106 HZ3 LYS 13 HZ3 LYS 13 -1.107 0.022 9.562 107 H LYS 14 HN LYS 14 -3.697 -5.371 8.716 108 HA LYS 14 HA LYS 14 -6.510 -5.409 8.516 109 HB2 LYS 14 HB2 LYS 14 -4.252 -6.373 6.840 110 HB3 LYS 14 HB1 LYS 14 -5.840 -7.043 6.507 111 HG2 LYS 14 HG2 LYS 14 -5.106 -4.123 6.505 112 HG3 LYS 14 HG1 LYS 14 -5.379 -5.134 5.086 113 HD2 LYS 14 HD2 LYS 14 -7.455 -4.560 7.203 114 HD3 LYS 14 HD1 LYS 14 -7.316 -3.684 5.682 115 HE2 LYS 14 HE2 LYS 14 -8.945 -5.241 5.186 116 HE3 LYS 14 HE1 LYS 14 -7.492 -6.045 4.607 117 HZ1 LYS 14 HZ1 LYS 14 -7.555 -7.277 6.801 118 H LYS 15 HN LYS 15 -4.157 -7.962 9.225 119 HA LYS 15 HA LYS 15 -5.870 -10.153 9.115 120 HB2 LYS 15 HB2 LYS 15 -3.478 -10.450 9.328 121 HB3 LYS 15 HB1 LYS 15 -3.480 -9.674 10.903 122 HG2 LYS 15 HG2 LYS 15 -3.286 -12.115 11.049 123 HG3 LYS 15 HG1 LYS 15 -4.734 -11.503 11.852 124 HD2 LYS 15 HD2 LYS 15 -6.057 -12.098 9.857 125 HD3 LYS 15 HD1 LYS 15 -4.603 -12.763 9.111 126 HE2 LYS 15 HE2 LYS 15 -5.966 -14.527 10.095 127 HE3 LYS 15 HE1 LYS 15 -4.417 -14.393 10.923 128 HZ1 LYS 15 HZ1 LYS 15 -6.887 -13.092 11.925 129 HZ2 LYS 15 HZ2 LYS 15 -5.430 -13.330 12.751 130 HZ3 LYS 15 HZ3 LYS 15 -6.420 -14.652 12.388 131 H ASN 16 HN ASN 16 -5.323 -7.825 11.702 132 HA ASN 16 HA ASN 16 -6.991 -9.202 13.591 133 HB2 ASN 16 HB2 ASN 16 -5.075 -7.757 14.262 134 HB3 ASN 16 HB1 ASN 16 -5.970 -6.357 13.680 135 HD21 ASN 16 HD21 ASN 16 -6.966 -5.263 15.205 136 HD22 ASN 16 HD22 ASN 16 -7.584 -5.905 16.684 137 H GLN 17 HN GLN 17 -7.357 -6.283 11.574 138 HA GLN 17 HA GLN 17 -9.986 -5.722 12.514 139 HB2 GLN 17 HB2 GLN 17 -9.937 -3.854 11.170 140 HB3 GLN 17 HB1 GLN 17 -8.226 -4.153 11.384 141 HG2 GLN 17 HG2 GLN 17 -8.352 -3.702 9.148 142 HG3 GLN 17 HG1 GLN 17 -8.404 -5.457 9.165 143 HE21 GLN 17 HE21 GLN 17 -11.373 -4.394 10.269 144 HE22 GLN 17 HE22 GLN 17 -12.228 -4.411 8.774 145 H ASP 18 HN ASP 18 -8.776 -7.242 9.530 146 HA ASP 18 HA ASP 18 -11.374 -7.715 8.453 147 HB2 ASP 18 HB2 ASP 18 -8.649 -8.823 7.775 148 HB3 ASP 18 HB1 ASP 18 -10.107 -9.337 6.936 149 HN1 NH2 19 HN1 NH2 19 -8.992 -9.848 10.019 150 HN2 NH2 19 HN2 NH2 19 -10.129 -11.067 10.470 Start of MODEL 3 1 H1 PHE 1 HN PHE 1 16.105 -0.890 7.261 2 HA PHE 1 HA PHE 1 13.412 -1.927 7.851 3 HB2 PHE 1 HB2 PHE 1 14.057 0.683 6.462 4 HB3 PHE 1 HB1 PHE 1 12.445 0.009 6.668 5 HD1 PHE 1 HD1 PHE 1 15.413 0.877 8.771 6 HD2 PHE 1 HD2 PHE 1 11.175 0.853 8.375 7 HE1 PHE 1 HE1 PHE 1 15.209 2.032 10.932 8 HE2 PHE 1 HE2 PHE 1 10.966 2.012 10.536 9 HZ PHE 1 HZ PHE 1 12.985 2.603 11.816 10 H GLY 2 HN GLY 2 12.351 -2.944 6.201 11 HA2 GLY 2 HA2 GLY 2 13.852 -4.087 4.124 12 HA3 GLY 2 HA1 GLY 2 12.098 -4.097 4.236 13 H GLY 3 HN GLY 3 14.261 -3.549 2.062 14 HA2 GLY 3 HA2 GLY 3 14.028 -0.918 1.149 15 HA3 GLY 3 HA1 GLY 3 14.375 -2.310 0.136 16 H PHE 4 HN PHE 4 11.921 -3.701 0.604 17 HA PHE 4 HA PHE 4 9.794 -1.921 -0.240 18 HB2 PHE 4 HB2 PHE 4 9.337 -3.513 -2.238 19 HB3 PHE 4 HB1 PHE 4 10.578 -2.279 -2.405 20 HD1 PHE 4 HD1 PHE 4 10.723 -5.617 -0.736 21 HD2 PHE 4 HD2 PHE 4 12.117 -3.127 -3.892 22 HE1 PHE 4 HE1 PHE 4 12.368 -7.334 -1.360 23 HE2 PHE 4 HE2 PHE 4 13.761 -4.842 -4.521 24 HZ PHE 4 HZ PHE 4 13.888 -6.949 -3.256 25 H THR 5 HN THR 5 9.847 -3.178 2.107 26 HA THR 5 HA THR 5 7.532 -4.868 1.985 27 HB THR 5 HB THR 5 9.254 -6.549 1.522 28 HG1 THR 5 HG1 THR 5 8.333 -6.863 4.200 29 HG21 THR 5 HG21 THR 5 10.438 -5.764 4.190 30 HG22 THR 5 HG22 THR 5 11.157 -5.446 2.611 31 HG23 THR 5 HG23 THR 5 10.965 -7.107 3.172 32 H GLY 6 HN GLY 6 8.057 -2.356 3.162 33 HA2 GLY 6 HA2 GLY 6 8.358 -2.857 6.029 34 HA3 GLY 6 HA1 GLY 6 8.299 -1.285 5.251 35 H LYS 7 HN LYS 7 5.851 -3.453 4.214 36 HA LYS 7 HA LYS 7 3.856 -1.902 5.691 37 HB2 LYS 7 HB2 LYS 7 3.729 -2.183 3.190 38 HB3 LYS 7 HB1 LYS 7 3.426 -3.893 3.457 39 HG2 LYS 7 HG2 LYS 7 1.449 -3.086 4.908 40 HG3 LYS 7 HG1 LYS 7 1.674 -1.550 4.072 41 HD2 LYS 7 HD2 LYS 7 -0.009 -2.928 2.953 42 HD3 LYS 7 HD1 LYS 7 1.400 -2.673 1.919 43 HE2 LYS 7 HE2 LYS 7 0.500 -5.022 1.939 44 HE3 LYS 7 HE1 LYS 7 2.211 -4.872 2.337 45 HZ1 LYS 7 HZ1 LYS 7 1.751 -5.536 4.505 46 H ARG 8 HN ARG 8 5.369 -3.851 7.161 47 HA ARG 8 HA ARG 8 3.856 -6.261 7.421 48 HB2 ARG 8 HB2 ARG 8 5.961 -5.041 9.215 49 HB3 ARG 8 HB1 ARG 8 5.289 -6.655 9.414 50 HG2 ARG 8 HG2 ARG 8 6.161 -7.308 7.239 51 HG3 ARG 8 HG1 ARG 8 6.805 -5.682 6.998 52 HD2 ARG 8 HD2 ARG 8 7.599 -7.549 9.229 53 HD3 ARG 8 HD1 ARG 8 8.512 -7.310 7.742 54 HE ARG 8 HE ARG 8 8.107 -4.817 8.967 55 HH11 ARG 8 HH11 ARG 8 9.896 -7.784 9.479 56 HH12 ARG 8 HH12 ARG 8 11.166 -7.009 10.363 57 HH21 ARG 8 HH21 ARG 8 9.785 -3.802 10.134 58 HH22 ARG 8 HH22 ARG 8 11.104 -4.750 10.735 59 H LYS 9 HN LYS 9 4.007 -3.227 9.215 60 HA LYS 9 HA LYS 9 2.286 -4.043 11.315 61 HB2 LYS 9 HB2 LYS 9 3.896 -2.107 11.378 62 HB3 LYS 9 HB1 LYS 9 2.780 -1.222 10.352 63 HG2 LYS 9 HG2 LYS 9 1.974 -2.339 13.021 64 HG3 LYS 9 HG1 LYS 9 2.687 -0.738 12.833 65 HD2 LYS 9 HD2 LYS 9 0.855 -0.116 11.317 66 HD3 LYS 9 HD1 LYS 9 0.137 -1.710 11.544 67 HE2 LYS 9 HE2 LYS 9 -0.973 -0.096 12.962 68 HE3 LYS 9 HE1 LYS 9 -0.083 -1.255 13.946 69 HZ1 LYS 9 HZ1 LYS 9 1.025 1.391 13.199 70 HZ2 LYS 9 HZ2 LYS 9 1.587 0.328 14.388 71 HZ3 LYS 9 HZ3 LYS 9 0.122 1.144 14.609 72 H SER 10 HN SER 10 1.703 -2.121 8.370 73 HA SER 10 HA SER 10 -1.001 -1.598 8.764 74 HB2 SER 10 HB2 SER 10 0.322 -0.470 7.046 75 HB3 SER 10 HB1 SER 10 0.469 -1.980 6.149 76 HG SER 10 HG SER 10 -1.260 -0.395 5.538 77 H ASP 11 HN ASP 11 0.400 -4.230 6.790 78 HA ASP 11 HA ASP 11 -2.089 -5.447 6.236 79 HB2 ASP 11 HB2 ASP 11 0.730 -6.516 6.093 80 HB3 ASP 11 HB1 ASP 11 -0.678 -7.434 5.567 81 H ARG 12 HN ARG 12 0.293 -5.993 8.788 82 HA ARG 12 HA ARG 12 -0.761 -8.351 9.862 83 HB2 ARG 12 HB2 ARG 12 1.408 -7.512 10.552 84 HB3 ARG 12 HB1 ARG 12 0.673 -6.066 11.232 85 HG2 ARG 12 HG2 ARG 12 1.291 -7.621 12.982 86 HG3 ARG 12 HG1 ARG 12 -0.460 -7.429 12.915 87 HD2 ARG 12 HD2 ARG 12 0.080 -9.759 13.225 88 HD3 ARG 12 HD1 ARG 12 -0.607 -9.527 11.619 89 HE ARG 12 HE ARG 12 2.161 -9.365 11.376 90 HH11 ARG 12 HH11 ARG 12 -0.237 -11.763 12.258 91 HH12 ARG 12 HH12 ARG 12 0.717 -13.096 11.702 92 HH21 ARG 12 HH21 ARG 12 3.407 -11.129 10.646 93 HH22 ARG 12 HH22 ARG 12 2.782 -12.737 10.787 94 H LYS 13 HN LYS 13 -1.557 -4.960 10.536 95 HA LYS 13 HA LYS 13 -3.434 -5.504 12.586 96 HB2 LYS 13 HB2 LYS 13 -3.010 -3.098 10.818 97 HB3 LYS 13 HB1 LYS 13 -4.227 -3.144 12.086 98 HG2 LYS 13 HG2 LYS 13 -1.264 -3.505 12.501 99 HG3 LYS 13 HG1 LYS 13 -2.170 -2.021 12.804 100 HD2 LYS 13 HD2 LYS 13 -3.531 -3.211 14.469 101 HD3 LYS 13 HD1 LYS 13 -2.594 -4.677 14.179 102 HE2 LYS 13 HE2 LYS 13 -0.566 -3.514 14.922 103 HE3 LYS 13 HE1 LYS 13 -1.517 -2.060 15.224 104 HZ1 LYS 13 HZ1 LYS 13 -1.659 -4.653 16.649 105 HZ2 LYS 13 HZ2 LYS 13 -2.863 -3.473 16.793 106 HZ3 LYS 13 HZ3 LYS 13 -1.282 -3.132 17.287 107 H LYS 14 HN LYS 14 -3.846 -4.751 9.132 108 HA LYS 14 HA LYS 14 -6.627 -4.853 9.056 109 HB2 LYS 14 HB2 LYS 14 -5.362 -4.045 7.152 110 HB3 LYS 14 HB1 LYS 14 -4.643 -5.631 6.910 111 HG2 LYS 14 HG2 LYS 14 -6.426 -5.172 5.300 112 HG3 LYS 14 HG1 LYS 14 -6.802 -6.559 6.322 113 HD2 LYS 14 HD2 LYS 14 -8.155 -5.014 7.765 114 HD3 LYS 14 HD1 LYS 14 -7.904 -3.760 6.548 115 HE2 LYS 14 HE2 LYS 14 -9.668 -4.538 5.446 116 HE3 LYS 14 HE1 LYS 14 -8.783 -6.036 5.158 117 HZ1 LYS 14 HZ1 LYS 14 -10.757 -5.556 7.272 118 H LYS 15 HN LYS 15 -4.271 -7.492 8.900 119 HA LYS 15 HA LYS 15 -6.009 -9.557 8.174 120 HB2 LYS 15 HB2 LYS 15 -3.528 -9.768 8.281 121 HB3 LYS 15 HB1 LYS 15 -3.627 -9.744 10.035 122 HG2 LYS 15 HG2 LYS 15 -3.433 -11.991 9.573 123 HG3 LYS 15 HG1 LYS 15 -5.176 -11.792 9.746 124 HD2 LYS 15 HD2 LYS 15 -3.685 -11.823 7.120 125 HD3 LYS 15 HD1 LYS 15 -4.545 -13.198 7.809 126 HE2 LYS 15 HE2 LYS 15 -6.627 -11.831 7.761 127 HE3 LYS 15 HE1 LYS 15 -5.727 -10.572 6.918 128 HZ1 LYS 15 HZ1 LYS 15 -5.269 -12.160 5.140 129 HZ2 LYS 15 HZ2 LYS 15 -6.931 -11.939 5.358 130 HZ3 LYS 15 HZ3 LYS 15 -6.182 -13.339 5.940 131 H ASN 16 HN ASN 16 -5.151 -8.283 11.366 132 HA ASN 16 HA ASN 16 -6.839 -10.041 12.838 133 HB2 ASN 16 HB2 ASN 16 -4.940 -8.847 13.875 134 HB3 ASN 16 HB1 ASN 16 -5.762 -7.314 13.603 135 HD21 ASN 16 HD21 ASN 16 -6.739 -6.536 15.324 136 HD22 ASN 16 HD22 ASN 16 -7.419 -7.459 16.615 137 H GLN 17 HN GLN 17 -7.217 -6.852 11.408 138 HA GLN 17 HA GLN 17 -9.717 -6.186 12.512 139 HB2 GLN 17 HB2 GLN 17 -8.390 -5.314 9.945 140 HB3 GLN 17 HB1 GLN 17 -9.872 -4.606 10.560 141 HG2 GLN 17 HG2 GLN 17 -7.228 -4.610 11.994 142 HG3 GLN 17 HG1 GLN 17 -7.887 -3.261 11.072 143 HE21 GLN 17 HE21 GLN 17 -8.886 -1.773 12.222 144 HE22 GLN 17 HE22 GLN 17 -9.637 -2.007 13.759 145 H ASP 18 HN ASP 18 -8.832 -8.073 9.664 146 HA ASP 18 HA ASP 18 -11.508 -9.150 9.549 147 HB2 ASP 18 HB2 ASP 18 -11.890 -8.605 7.182 148 HB3 ASP 18 HB1 ASP 18 -11.803 -7.164 8.185 149 HN1 NH2 19 HN1 NH2 19 -8.237 -9.140 8.225 150 HN2 NH2 19 HN2 NH2 19 -8.251 -10.784 7.714 Start of MODEL 4 1 H1 PHE 1 HN PHE 1 12.870 -15.151 -1.860 2 HA PHE 1 HA PHE 1 13.280 -14.154 -3.996 3 HB2 PHE 1 HB2 PHE 1 12.648 -16.184 -5.232 4 HB3 PHE 1 HB1 PHE 1 10.950 -15.868 -4.893 5 HD1 PHE 1 HD2 PHE 1 13.762 -13.733 -6.120 6 HD2 PHE 1 HD1 PHE 1 9.853 -15.268 -6.812 7 HE1 PHE 1 HE2 PHE 1 13.605 -12.398 -8.180 8 HE2 PHE 1 HE1 PHE 1 9.691 -13.939 -8.874 9 HZ PHE 1 HZ PHE 1 11.568 -12.499 -9.560 10 H GLY 2 HN GLY 2 9.929 -14.822 -2.960 11 HA2 GLY 2 HA2 GLY 2 9.091 -12.120 -3.583 12 HA3 GLY 2 HA1 GLY 2 8.094 -13.394 -2.900 13 H GLY 3 HN GLY 3 11.046 -11.637 -1.874 14 HA2 GLY 3 HA2 GLY 3 10.278 -11.700 0.879 15 HA3 GLY 3 HA1 GLY 3 11.632 -10.814 0.195 16 H PHE 4 HN PHE 4 11.408 -8.855 1.106 17 HA PHE 4 HA PHE 4 10.655 -6.745 1.445 18 HB2 PHE 4 HB2 PHE 4 10.137 -6.719 -0.951 19 HB3 PHE 4 HB1 PHE 4 8.569 -7.452 -0.632 20 HD1 PHE 4 HD1 PHE 4 10.436 -4.601 0.904 21 HD2 PHE 4 HD2 PHE 4 6.882 -5.950 -1.011 22 HE1 PHE 4 HE1 PHE 4 9.444 -2.366 1.178 23 HE2 PHE 4 HE2 PHE 4 5.885 -3.717 -0.740 24 HZ PHE 4 HZ PHE 4 7.166 -1.922 0.355 25 H THR 5 HN THR 5 9.570 -5.932 3.116 26 HA THR 5 HA THR 5 6.864 -6.723 3.735 27 HB THR 5 HB THR 5 9.011 -7.330 5.785 28 HG1 THR 5 HG1 THR 5 9.215 -9.085 4.585 29 HG21 THR 5 HG21 THR 5 7.351 -7.546 7.259 30 HG22 THR 5 HG22 THR 5 6.472 -8.627 6.180 31 HG23 THR 5 HG23 THR 5 6.250 -6.883 6.052 32 H GLY 6 HN GLY 6 7.680 -4.266 3.016 33 HA2 GLY 6 HA2 GLY 6 8.573 -2.565 5.083 34 HA3 GLY 6 HA1 GLY 6 7.721 -2.057 3.633 35 H LYS 7 HN LYS 7 5.268 -3.191 3.889 36 HA LYS 7 HA LYS 7 4.163 -1.666 6.107 37 HB2 LYS 7 HB2 LYS 7 2.150 -1.629 4.949 38 HB3 LYS 7 HB1 LYS 7 3.327 -1.649 3.650 39 HG2 LYS 7 HG2 LYS 7 1.591 -3.908 4.607 40 HG3 LYS 7 HG1 LYS 7 1.588 -3.121 3.035 41 HD2 LYS 7 HD2 LYS 7 3.625 -4.129 2.408 42 HD3 LYS 7 HD1 LYS 7 3.978 -4.628 4.065 43 HE2 LYS 7 HE2 LYS 7 1.718 -5.669 2.358 44 HE3 LYS 7 HE1 LYS 7 3.232 -6.513 2.685 45 HZ1 LYS 7 HZ1 LYS 7 2.555 -6.597 5.034 46 H ARG 8 HN ARG 8 5.538 -3.862 7.050 47 HA ARG 8 HA ARG 8 4.155 -6.234 7.392 48 HB2 ARG 8 HB2 ARG 8 5.531 -6.600 9.386 49 HB3 ARG 8 HB1 ARG 8 6.485 -5.972 8.054 50 HG2 ARG 8 HG2 ARG 8 7.303 -4.747 9.804 51 HG3 ARG 8 HG1 ARG 8 6.049 -3.666 9.201 52 HD2 ARG 8 HD2 ARG 8 5.975 -3.814 11.631 53 HD3 ARG 8 HD1 ARG 8 4.513 -4.486 10.922 54 HE ARG 8 HE ARG 8 5.027 -6.468 11.903 55 HH11 ARG 8 HH11 ARG 8 7.995 -4.622 11.640 56 HH12 ARG 8 HH12 ARG 8 8.952 -5.821 12.441 57 HH21 ARG 8 HH21 ARG 8 6.296 -8.037 12.959 58 HH22 ARG 8 HH22 ARG 8 7.988 -7.757 13.191 59 H LYS 9 HN LYS 9 3.787 -3.186 9.101 60 HA LYS 9 HA LYS 9 2.026 -4.235 11.101 61 HB2 LYS 9 HB2 LYS 9 3.381 -2.212 11.485 62 HB3 LYS 9 HB1 LYS 9 2.473 -1.372 10.235 63 HG2 LYS 9 HG2 LYS 9 0.440 -1.565 11.551 64 HG3 LYS 9 HG1 LYS 9 1.313 -2.465 12.791 65 HD2 LYS 9 HD2 LYS 9 2.744 -0.525 13.197 66 HD3 LYS 9 HD1 LYS 9 1.885 0.375 11.945 67 HE2 LYS 9 HE2 LYS 9 -0.186 0.189 13.232 68 HE3 LYS 9 HE1 LYS 9 0.664 -0.726 14.476 69 HZ1 LYS 9 HZ1 LYS 9 0.392 1.634 15.038 70 HZ2 LYS 9 HZ2 LYS 9 1.315 2.064 13.690 71 HZ3 LYS 9 HZ3 LYS 9 2.020 1.185 14.951 72 H SER 10 HN SER 10 1.597 -2.493 8.045 73 HA SER 10 HA SER 10 -1.161 -2.075 8.183 74 HB2 SER 10 HB2 SER 10 0.549 -2.551 5.733 75 HB3 SER 10 HB1 SER 10 -1.079 -1.876 5.720 76 HG SER 10 HG SER 10 -0.342 -0.031 6.514 77 H ASP 11 HN ASP 11 0.617 -4.797 6.722 78 HA ASP 11 HA ASP 11 -1.686 -6.214 5.898 79 HB2 ASP 11 HB2 ASP 11 1.110 -7.221 6.461 80 HB3 ASP 11 HB1 ASP 11 -0.151 -8.164 5.677 81 H ARG 12 HN ARG 12 0.321 -6.453 8.816 82 HA ARG 12 HA ARG 12 -0.992 -8.674 9.944 83 HB2 ARG 12 HB2 ARG 12 1.224 -7.912 10.676 84 HB3 ARG 12 HB1 ARG 12 0.506 -6.447 11.333 85 HG2 ARG 12 HG2 ARG 12 -0.756 -7.773 12.942 86 HG3 ARG 12 HG1 ARG 12 -0.067 -9.253 12.270 87 HD2 ARG 12 HD2 ARG 12 2.178 -8.470 12.888 88 HD3 ARG 12 HD1 ARG 12 1.470 -7.011 13.581 89 HE ARG 12 HE ARG 12 0.259 -9.221 14.787 90 HH11 ARG 12 HH11 ARG 12 3.408 -7.696 14.647 91 HH12 ARG 12 HH12 ARG 12 3.873 -8.234 16.225 92 HH21 ARG 12 HH21 ARG 12 0.877 -9.924 16.864 93 HH22 ARG 12 HH22 ARG 12 2.437 -9.498 17.485 94 H LYS 13 HN LYS 13 -1.433 -5.186 10.541 95 HA LYS 13 HA LYS 13 -3.460 -5.426 12.460 96 HB2 LYS 13 HB2 LYS 13 -2.877 -3.193 10.516 97 HB3 LYS 13 HB1 LYS 13 -4.052 -3.071 11.817 98 HG2 LYS 13 HG2 LYS 13 -1.110 -3.604 12.188 99 HG3 LYS 13 HG1 LYS 13 -1.895 -2.036 12.374 100 HD2 LYS 13 HD2 LYS 13 -3.289 -2.966 14.173 101 HD3 LYS 13 HD1 LYS 13 -2.467 -4.518 13.995 102 HE2 LYS 13 HE2 LYS 13 -0.342 -3.458 14.581 103 HE3 LYS 13 HE1 LYS 13 -1.160 -1.905 14.752 104 HZ1 LYS 13 HZ1 LYS 13 -1.627 -4.329 16.402 105 HZ2 LYS 13 HZ2 LYS 13 -2.503 -2.889 16.536 106 HZ3 LYS 13 HZ3 LYS 13 -0.851 -2.910 16.898 107 H LYS 14 HN LYS 14 -3.709 -4.971 8.941 108 HA LYS 14 HA LYS 14 -6.487 -4.825 8.735 109 HB2 LYS 14 HB2 LYS 14 -4.484 -4.658 6.955 110 HB3 LYS 14 HB1 LYS 14 -4.986 -6.305 6.622 111 HG2 LYS 14 HG2 LYS 14 -6.575 -3.776 6.311 112 HG3 LYS 14 HG1 LYS 14 -6.107 -4.937 5.070 113 HD2 LYS 14 HD2 LYS 14 -8.228 -5.662 5.340 114 HD3 LYS 14 HD1 LYS 14 -7.534 -6.537 6.705 115 HE2 LYS 14 HE2 LYS 14 -8.067 -4.443 8.077 116 HE3 LYS 14 HE1 LYS 14 -9.064 -3.953 6.716 117 HZ1 LYS 14 HZ1 LYS 14 -10.292 -5.202 8.499 118 H LYS 15 HN LYS 15 -4.353 -7.663 8.813 119 HA LYS 15 HA LYS 15 -6.246 -9.634 8.242 120 HB2 LYS 15 HB2 LYS 15 -3.855 -10.099 8.252 121 HB3 LYS 15 HB1 LYS 15 -3.771 -9.771 9.975 122 HG2 LYS 15 HG2 LYS 15 -3.708 -12.099 9.782 123 HG3 LYS 15 HG1 LYS 15 -5.355 -11.728 10.282 124 HD2 LYS 15 HD2 LYS 15 -4.629 -12.084 7.388 125 HD3 LYS 15 HD1 LYS 15 -5.015 -13.461 8.418 126 HE2 LYS 15 HE2 LYS 15 -6.816 -11.102 7.877 127 HE3 LYS 15 HE1 LYS 15 -6.963 -12.696 7.145 128 HZ1 LYS 15 HZ1 LYS 15 -8.496 -12.621 8.911 129 HZ2 LYS 15 HZ2 LYS 15 -7.370 -11.967 9.987 130 HZ3 LYS 15 HZ3 LYS 15 -7.211 -13.569 9.471 131 H ASN 16 HN ASN 16 -5.130 -8.445 11.405 132 HA ASN 16 HA ASN 16 -6.950 -9.983 12.939 133 HB2 ASN 16 HB2 ASN 16 -5.498 -7.410 13.600 134 HB3 ASN 16 HB1 ASN 16 -6.427 -8.343 14.769 135 HD21 ASN 16 HD21 ASN 16 -5.236 -9.595 16.004 136 HD22 ASN 16 HD22 ASN 16 -3.751 -10.355 15.557 137 H GLN 17 HN GLN 17 -7.088 -6.749 11.566 138 HA GLN 17 HA GLN 17 -9.487 -5.887 12.749 139 HB2 GLN 17 HB2 GLN 17 -8.012 -5.089 10.254 140 HB3 GLN 17 HB1 GLN 17 -9.525 -4.324 10.699 141 HG2 GLN 17 HG2 GLN 17 -7.042 -4.390 12.401 142 HG3 GLN 17 HG1 GLN 17 -7.559 -3.035 11.401 143 HE21 GLN 17 HE21 GLN 17 -8.604 -1.493 12.441 144 HE22 GLN 17 HE22 GLN 17 -9.521 -1.683 13.892 145 H ASP 18 HN ASP 18 -8.894 -7.937 9.965 146 HA ASP 18 HA ASP 18 -11.684 -8.638 9.835 147 HB2 ASP 18 HB2 ASP 18 -11.861 -8.022 7.380 148 HB3 ASP 18 HB1 ASP 18 -11.882 -6.675 8.515 149 HN1 NH2 19 HN1 NH2 19 -8.493 -8.908 8.316 150 HN2 NH2 19 HN2 NH2 19 -8.684 -10.542 7.801 Start of MODEL 5 1 H1 PHE 1 HN PHE 1 21.640 -0.664 -2.371 2 HA PHE 1 HA PHE 1 20.254 0.168 -0.695 3 HB2 PHE 1 HB2 PHE 1 18.499 -0.012 -3.153 4 HB3 PHE 1 HB1 PHE 1 18.123 0.965 -1.740 5 HD1 PHE 1 HD2 PHE 1 21.052 0.433 -4.014 6 HD2 PHE 1 HD1 PHE 1 18.558 3.199 -1.948 7 HE1 PHE 1 HE2 PHE 1 22.338 2.300 -4.964 8 HE2 PHE 1 HE1 PHE 1 19.839 5.070 -2.903 9 HZ PHE 1 HZ PHE 1 21.733 4.621 -4.410 10 H GLY 2 HN GLY 2 18.471 -0.121 0.727 11 HA2 GLY 2 HA2 GLY 2 17.942 -2.816 1.369 12 HA3 GLY 2 HA1 GLY 2 17.163 -1.420 2.090 13 H GLY 3 HN GLY 3 15.096 -2.248 2.174 14 HA2 GLY 3 HA2 GLY 3 13.912 -3.466 -0.168 15 HA3 GLY 3 HA1 GLY 3 13.129 -3.204 1.382 16 H PHE 4 HN PHE 4 11.255 -2.534 0.232 17 HA PHE 4 HA PHE 4 10.949 0.236 0.024 18 HB2 PHE 4 HB2 PHE 4 10.582 0.470 -2.432 19 HB3 PHE 4 HB1 PHE 4 12.252 0.112 -2.015 20 HD1 PHE 4 HD2 PHE 4 9.203 -1.160 -3.579 21 HD2 PHE 4 HD1 PHE 4 13.262 -2.003 -2.609 22 HE1 PHE 4 HE2 PHE 4 9.177 -3.062 -5.134 23 HE2 PHE 4 HE1 PHE 4 13.242 -3.905 -4.167 24 HZ PHE 4 HZ PHE 4 11.196 -4.439 -5.430 25 H THR 5 HN THR 5 9.580 -1.844 1.263 26 HA THR 5 HA THR 5 6.910 -1.241 0.659 27 HB THR 5 HB THR 5 7.184 -2.616 -1.325 28 HG1 THR 5 HG1 THR 5 5.187 -3.074 -0.755 29 HG21 THR 5 HG21 THR 5 8.803 -4.183 -1.159 30 HG22 THR 5 HG22 THR 5 7.476 -5.214 -0.628 31 HG23 THR 5 HG23 THR 5 8.525 -4.444 0.562 32 H GLY 6 HN GLY 6 8.176 -1.155 3.012 33 HA2 GLY 6 HA2 GLY 6 7.998 -3.539 4.574 34 HA3 GLY 6 HA1 GLY 6 8.219 -1.908 5.186 35 H LYS 7 HN LYS 7 5.701 -4.001 3.760 36 HA LYS 7 HA LYS 7 3.612 -2.488 5.088 37 HB2 LYS 7 HB2 LYS 7 3.469 -3.451 2.734 38 HB3 LYS 7 HB1 LYS 7 3.279 -5.025 3.494 39 HG2 LYS 7 HG2 LYS 7 1.300 -4.081 4.719 40 HG3 LYS 7 HG1 LYS 7 1.445 -2.650 3.701 41 HD2 LYS 7 HD2 LYS 7 -0.206 -4.089 2.730 42 HD3 LYS 7 HD1 LYS 7 1.229 -4.134 1.707 43 HE2 LYS 7 HE2 LYS 7 0.211 -6.366 2.074 44 HE3 LYS 7 HE1 LYS 7 1.883 -6.262 2.627 45 HZ1 LYS 7 HZ1 LYS 7 -0.397 -6.027 4.477 46 H ARG 8 HN ARG 8 5.271 -3.648 7.017 47 HA ARG 8 HA ARG 8 4.353 -6.175 7.913 48 HB2 ARG 8 HB2 ARG 8 5.810 -3.923 9.286 49 HB3 ARG 8 HB1 ARG 8 5.370 -5.397 10.133 50 HG2 ARG 8 HG2 ARG 8 6.760 -5.883 7.616 51 HG3 ARG 8 HG1 ARG 8 7.708 -4.956 8.780 52 HD2 ARG 8 HD2 ARG 8 8.142 -7.303 9.104 53 HD3 ARG 8 HD1 ARG 8 7.240 -6.687 10.485 54 HE ARG 8 HE ARG 8 5.553 -8.133 9.971 55 HH11 ARG 8 HH11 ARG 8 7.612 -7.828 7.159 56 HH12 ARG 8 HH12 ARG 8 6.761 -9.032 6.253 57 HH21 ARG 8 HH21 ARG 8 4.446 -9.729 8.780 58 HH22 ARG 8 HH22 ARG 8 4.962 -10.112 7.173 59 H LYS 9 HN LYS 9 3.610 -2.883 9.002 60 HA LYS 9 HA LYS 9 1.734 -3.578 10.963 61 HB2 LYS 9 HB2 LYS 9 2.744 -1.396 10.952 62 HB3 LYS 9 HB1 LYS 9 2.081 -1.048 9.362 63 HG2 LYS 9 HG2 LYS 9 0.838 0.137 11.046 64 HG3 LYS 9 HG1 LYS 9 -0.181 -1.092 10.302 65 HD2 LYS 9 HD2 LYS 9 -0.564 -1.089 12.674 66 HD3 LYS 9 HD1 LYS 9 0.277 -2.575 12.238 67 HE2 LYS 9 HE2 LYS 9 2.355 -1.712 13.061 68 HE3 LYS 9 HE1 LYS 9 1.650 -0.115 13.309 69 HZ1 LYS 9 HZ1 LYS 9 0.171 -1.102 14.980 70 HZ2 LYS 9 HZ2 LYS 9 1.801 -1.286 15.394 71 HZ3 LYS 9 HZ3 LYS 9 0.933 -2.599 14.775 72 H SER 10 HN SER 10 1.105 -2.349 7.668 73 HA SER 10 HA SER 10 -1.658 -2.475 7.745 74 HB2 SER 10 HB2 SER 10 -0.564 -1.299 5.977 75 HB3 SER 10 HB1 SER 10 0.224 -2.767 5.408 76 HG SER 10 HG SER 10 -1.541 -3.312 4.380 77 H ASP 11 HN ASP 11 0.594 -5.061 6.812 78 HA ASP 11 HA ASP 11 -1.366 -6.859 5.880 79 HB2 ASP 11 HB2 ASP 11 1.393 -7.382 6.997 80 HB3 ASP 11 HB1 ASP 11 0.389 -8.623 6.264 81 H ARG 12 HN ARG 12 0.358 -6.839 9.006 82 HA ARG 12 HA ARG 12 -1.304 -8.886 10.087 83 HB2 ARG 12 HB2 ARG 12 -0.100 -8.564 12.160 84 HB3 ARG 12 HB1 ARG 12 1.016 -8.585 10.803 85 HG2 ARG 12 HG2 ARG 12 0.680 -5.960 10.969 86 HG3 ARG 12 HG1 ARG 12 0.297 -6.376 12.643 87 HD2 ARG 12 HD2 ARG 12 2.817 -7.092 11.148 88 HD3 ARG 12 HD1 ARG 12 2.664 -5.865 12.401 89 HE ARG 12 HE ARG 12 1.838 -8.198 13.586 90 HH11 ARG 12 HH11 ARG 12 4.739 -7.150 11.929 91 HH12 ARG 12 HH12 ARG 12 5.793 -8.141 12.878 92 HH21 ARG 12 HH21 ARG 12 3.239 -9.514 14.840 93 HH22 ARG 12 HH22 ARG 12 4.943 -9.482 14.532 94 H LYS 13 HN LYS 13 -1.395 -5.361 10.308 95 HA LYS 13 HA LYS 13 -3.175 -5.140 12.466 96 HB2 LYS 13 HB2 LYS 13 -1.900 -3.241 11.497 97 HB3 LYS 13 HB1 LYS 13 -2.940 -3.295 10.080 98 HG2 LYS 13 HG2 LYS 13 -3.629 -1.520 11.560 99 HG3 LYS 13 HG1 LYS 13 -4.875 -2.766 11.486 100 HD2 LYS 13 HD2 LYS 13 -4.049 -3.689 13.616 101 HD3 LYS 13 HD1 LYS 13 -2.838 -2.406 13.689 102 HE2 LYS 13 HE2 LYS 13 -4.635 -0.732 13.719 103 HE3 LYS 13 HE1 LYS 13 -5.831 -2.023 13.670 104 HZ1 LYS 13 HZ1 LYS 13 -3.840 -2.066 15.819 105 HZ2 LYS 13 HZ2 LYS 13 -5.450 -2.584 15.829 106 HZ3 LYS 13 HZ3 LYS 13 -5.094 -0.933 15.918 107 H LYS 14 HN LYS 14 -3.865 -5.104 8.972 108 HA LYS 14 HA LYS 14 -6.695 -5.138 9.277 109 HB2 LYS 14 HB2 LYS 14 -4.826 -5.580 6.975 110 HB3 LYS 14 HB1 LYS 14 -6.541 -5.888 6.788 111 HG2 LYS 14 HG2 LYS 14 -5.346 -3.277 7.676 112 HG3 LYS 14 HG1 LYS 14 -5.858 -3.648 6.032 113 HD2 LYS 14 HD2 LYS 14 -7.679 -3.690 8.444 114 HD3 LYS 14 HD1 LYS 14 -7.522 -2.330 7.334 115 HE2 LYS 14 HE2 LYS 14 -9.393 -3.419 6.522 116 HE3 LYS 14 HE1 LYS 14 -8.112 -4.059 5.504 117 HZ1 LYS 14 HZ1 LYS 14 -8.213 -6.106 6.790 118 H LYS 15 HN LYS 15 -4.276 -7.687 8.915 119 HA LYS 15 HA LYS 15 -5.880 -9.817 8.189 120 HB2 LYS 15 HB2 LYS 15 -3.358 -9.828 8.534 121 HB3 LYS 15 HB1 LYS 15 -3.680 -10.030 10.251 122 HG2 LYS 15 HG2 LYS 15 -3.224 -12.178 9.332 123 HG3 LYS 15 HG1 LYS 15 -4.952 -12.104 9.687 124 HD2 LYS 15 HD2 LYS 15 -5.447 -11.668 7.356 125 HD3 LYS 15 HD1 LYS 15 -3.726 -11.618 6.972 126 HE2 LYS 15 HE2 LYS 15 -3.513 -13.964 7.627 127 HE3 LYS 15 HE1 LYS 15 -5.229 -14.013 8.025 128 HZ1 LYS 15 HZ1 LYS 15 -5.082 -14.916 5.895 129 HZ2 LYS 15 HZ2 LYS 15 -3.968 -13.760 5.363 130 HZ3 LYS 15 HZ3 LYS 15 -5.582 -13.324 5.615 131 H ASN 16 HN ASN 16 -5.315 -8.447 11.398 132 HA ASN 16 HA ASN 16 -7.142 -10.295 12.680 133 HB2 ASN 16 HB2 ASN 16 -5.682 -7.891 13.789 134 HB3 ASN 16 HB1 ASN 16 -6.569 -9.078 14.739 135 HD21 ASN 16 HD21 ASN 16 -3.571 -8.208 13.624 136 HD22 ASN 16 HD22 ASN 16 -2.759 -9.720 13.810 137 H GLN 17 HN GLN 17 -7.023 -6.775 12.116 138 HA GLN 17 HA GLN 17 -9.434 -6.035 13.251 139 HB2 GLN 17 HB2 GLN 17 -7.961 -4.936 10.859 140 HB3 GLN 17 HB1 GLN 17 -9.421 -4.183 11.477 141 HG2 GLN 17 HG2 GLN 17 -6.889 -4.614 13.050 142 HG3 GLN 17 HG1 GLN 17 -7.375 -3.100 12.293 143 HE21 GLN 17 HE21 GLN 17 -7.235 -4.640 15.155 144 HE22 GLN 17 HE22 GLN 17 -8.540 -3.871 15.983 145 H ASP 18 HN ASP 18 -8.905 -6.755 9.802 146 HA ASP 18 HA ASP 18 -11.721 -6.905 9.271 147 HB2 ASP 18 HB2 ASP 18 -9.368 -7.725 7.551 148 HB3 ASP 18 HB1 ASP 18 -11.036 -7.607 7.009 149 HN1 NH2 19 HN1 NH2 19 -9.072 -9.274 9.519 150 HN2 NH2 19 HN2 NH2 19 -10.094 -10.653 9.710 Start of MODEL 6 1 H1 PHE 1 HN PHE 1 1.986 -13.226 -4.720 2 HA PHE 1 HA PHE 1 1.179 -11.846 -3.083 3 HB2 PHE 1 HB2 PHE 1 3.237 -12.821 -2.048 4 HB3 PHE 1 HB1 PHE 1 4.131 -11.400 -2.573 5 HD1 PHE 1 HD1 PHE 1 0.767 -11.770 -1.007 6 HD2 PHE 1 HD2 PHE 1 4.707 -10.191 -0.695 7 HE1 PHE 1 HE1 PHE 1 0.136 -10.617 1.072 8 HE2 PHE 1 HE2 PHE 1 4.082 -9.036 1.387 9 HZ PHE 1 HZ PHE 1 1.794 -9.249 2.271 10 H GLY 2 HN GLY 2 0.483 -9.773 -2.769 11 HA2 GLY 2 HA2 GLY 2 1.109 -7.840 -4.772 12 HA3 GLY 2 HA1 GLY 2 0.038 -7.606 -3.400 13 H GLY 3 HN GLY 3 0.664 -5.761 -2.469 14 HA2 GLY 3 HA2 GLY 3 3.223 -4.647 -2.504 15 HA3 GLY 3 HA1 GLY 3 1.958 -4.228 -1.361 16 H PHE 4 HN PHE 4 4.954 -4.641 -1.137 17 HA PHE 4 HA PHE 4 4.891 -5.921 1.426 18 HB2 PHE 4 HB2 PHE 4 5.018 -7.907 -0.006 19 HB3 PHE 4 HB1 PHE 4 6.436 -7.250 -0.812 20 HD1 PHE 4 HD2 PHE 4 5.646 -7.309 2.827 21 HD2 PHE 4 HD1 PHE 4 8.113 -8.773 -0.320 22 HE1 PHE 4 HE2 PHE 4 7.094 -8.412 4.479 23 HE2 PHE 4 HE1 PHE 4 9.563 -9.880 1.330 24 HZ PHE 4 HZ PHE 4 9.054 -9.699 3.733 25 H THR 5 HN THR 5 6.239 -4.849 2.680 26 HA THR 5 HA THR 5 8.911 -4.283 2.177 27 HB THR 5 HB THR 5 8.273 -2.675 0.511 28 HG1 THR 5 HG1 THR 5 9.926 -1.771 1.568 29 HG21 THR 5 HG21 THR 5 6.646 -1.043 0.707 30 HG22 THR 5 HG22 THR 5 6.695 -1.055 2.470 31 HG23 THR 5 HG23 THR 5 5.919 -2.378 1.600 32 H GLY 6 HN GLY 6 6.056 -2.785 3.701 33 HA2 GLY 6 HA2 GLY 6 7.598 -2.352 6.156 34 HA3 GLY 6 HA1 GLY 6 6.018 -1.677 5.794 35 H LYS 7 HN LYS 7 7.748 -4.513 6.885 36 HA LYS 7 HA LYS 7 5.659 -6.328 7.119 37 HB2 LYS 7 HB2 LYS 7 8.019 -6.929 7.423 38 HB3 LYS 7 HB1 LYS 7 8.060 -6.028 8.932 39 HG2 LYS 7 HG2 LYS 7 7.853 -8.313 9.501 40 HG3 LYS 7 HG1 LYS 7 6.276 -7.577 9.790 41 HD2 LYS 7 HD2 LYS 7 5.706 -8.371 7.405 42 HD3 LYS 7 HD1 LYS 7 7.124 -9.406 7.566 43 HE2 LYS 7 HE2 LYS 7 5.144 -10.647 8.185 44 HE3 LYS 7 HE1 LYS 7 6.147 -10.384 9.611 45 HZ1 LYS 7 HZ1 LYS 7 4.279 -9.453 10.520 46 H ARG 8 HN ARG 8 6.464 -3.628 9.244 47 HA ARG 8 HA ARG 8 4.937 -4.524 11.444 48 HB2 ARG 8 HB2 ARG 8 5.102 -2.190 12.265 49 HB3 ARG 8 HB1 ARG 8 6.649 -2.885 11.807 50 HG2 ARG 8 HG2 ARG 8 6.620 -1.645 9.723 51 HG3 ARG 8 HG1 ARG 8 5.028 -0.996 10.111 52 HD2 ARG 8 HD2 ARG 8 7.542 -0.543 11.711 53 HD3 ARG 8 HD1 ARG 8 6.828 0.609 10.584 54 HE ARG 8 HE ARG 8 6.055 0.165 13.273 55 HH11 ARG 8 HH11 ARG 8 4.725 0.961 10.127 56 HH12 ARG 8 HH12 ARG 8 3.319 1.728 10.784 57 HH21 ARG 8 HH21 ARG 8 4.205 1.180 14.124 58 HH22 ARG 8 HH22 ARG 8 3.025 1.855 13.050 59 H LYS 9 HN LYS 9 4.112 -2.079 8.956 60 HA LYS 9 HA LYS 9 1.426 -1.941 9.993 61 HB2 LYS 9 HB2 LYS 9 0.949 -0.304 8.273 62 HB3 LYS 9 HB1 LYS 9 2.438 0.094 9.108 63 HG2 LYS 9 HG2 LYS 9 2.488 -1.371 6.499 64 HG3 LYS 9 HG1 LYS 9 2.311 0.381 6.560 65 HD2 LYS 9 HD2 LYS 9 4.404 0.243 8.124 66 HD3 LYS 9 HD1 LYS 9 4.634 -1.323 7.345 67 HE2 LYS 9 HE2 LYS 9 4.459 1.366 5.992 68 HE3 LYS 9 HE1 LYS 9 5.895 0.358 6.157 69 HZ1 LYS 9 HZ1 LYS 9 4.142 -1.297 4.930 70 HZ2 LYS 9 HZ2 LYS 9 5.333 -0.388 4.144 71 HZ3 LYS 9 HZ3 LYS 9 3.750 0.201 4.243 72 H SER 10 HN SER 10 2.981 -3.418 7.192 73 HA SER 10 HA SER 10 0.664 -4.174 5.803 74 HB2 SER 10 HB2 SER 10 2.923 -4.316 4.823 75 HB3 SER 10 HB1 SER 10 3.320 -5.629 5.932 76 HG SER 10 HG SER 10 2.429 -6.927 4.557 77 H ASP 11 HN ASP 11 2.508 -5.860 8.315 78 HA ASP 11 HA ASP 11 0.868 -8.185 8.351 79 HB2 ASP 11 HB2 ASP 11 2.811 -7.083 10.392 80 HB3 ASP 11 HB1 ASP 11 2.058 -8.666 10.502 81 H ARG 12 HN ARG 12 1.121 -5.402 10.577 82 HA ARG 12 HA ARG 12 -1.007 -6.144 12.253 83 HB2 ARG 12 HB2 ARG 12 0.640 -4.419 12.870 84 HB3 ARG 12 HB1 ARG 12 -0.006 -3.358 11.625 85 HG2 ARG 12 HG2 ARG 12 -2.142 -3.268 12.784 86 HG3 ARG 12 HG1 ARG 12 -1.532 -4.370 14.016 87 HD2 ARG 12 HD2 ARG 12 -1.477 -2.070 14.807 88 HD3 ARG 12 HD1 ARG 12 0.154 -2.717 14.658 89 HE ARG 12 HE ARG 12 -1.052 -0.608 13.061 90 HH11 ARG 12 HH11 ARG 12 1.709 -2.700 13.597 91 HH12 ARG 12 HH12 ARG 12 2.730 -1.826 12.509 92 HH21 ARG 12 HH21 ARG 12 0.302 0.527 11.626 93 HH22 ARG 12 HH22 ARG 12 1.933 -0.001 11.389 94 H LYS 13 HN LYS 13 -0.925 -4.223 9.291 95 HA LYS 13 HA LYS 13 -3.607 -3.370 9.336 96 HB2 LYS 13 HB2 LYS 13 -1.901 -2.311 7.931 97 HB3 LYS 13 HB1 LYS 13 -1.757 -3.783 6.984 98 HG2 LYS 13 HG2 LYS 13 -3.069 -2.403 5.663 99 HG3 LYS 13 HG1 LYS 13 -4.244 -3.455 6.449 100 HD2 LYS 13 HD2 LYS 13 -3.521 -0.721 7.491 101 HD3 LYS 13 HD1 LYS 13 -4.837 -0.999 6.353 102 HE2 LYS 13 HE2 LYS 13 -5.868 -2.545 7.995 103 HE3 LYS 13 HE1 LYS 13 -4.588 -2.139 9.134 104 HZ1 LYS 13 HZ1 LYS 13 -5.311 0.174 9.056 105 HZ2 LYS 13 HZ2 LYS 13 -6.559 -0.842 9.575 106 HZ3 LYS 13 HZ3 LYS 13 -6.563 -0.240 7.994 107 H LYS 14 HN LYS 14 -2.060 -6.183 7.799 108 HA LYS 14 HA LYS 14 -4.396 -7.135 6.530 109 HB2 LYS 14 HB2 LYS 14 -2.085 -7.839 5.921 110 HB3 LYS 14 HB1 LYS 14 -2.023 -8.782 7.405 111 HG2 LYS 14 HG2 LYS 14 -2.562 -10.228 5.560 112 HG3 LYS 14 HG1 LYS 14 -3.963 -10.088 6.621 113 HD2 LYS 14 HD2 LYS 14 -4.920 -8.399 5.105 114 HD3 LYS 14 HD1 LYS 14 -3.533 -8.592 4.034 115 HE2 LYS 14 HE2 LYS 14 -5.005 -9.995 3.007 116 HE3 LYS 14 HE1 LYS 14 -4.257 -11.128 4.128 117 HZ1 LYS 14 HZ1 LYS 14 -6.980 -10.235 4.124 118 H LYS 15 HN LYS 15 -2.920 -7.957 9.660 119 HA LYS 15 HA LYS 15 -4.635 -10.026 10.391 120 HB2 LYS 15 HB2 LYS 15 -2.867 -8.151 11.836 121 HB3 LYS 15 HB1 LYS 15 -4.161 -8.845 12.799 122 HG2 LYS 15 HG2 LYS 15 -2.207 -10.186 13.068 123 HG3 LYS 15 HG1 LYS 15 -3.385 -11.104 12.135 124 HD2 LYS 15 HD2 LYS 15 -1.216 -9.516 10.797 125 HD3 LYS 15 HD1 LYS 15 -0.928 -11.152 11.384 126 HE2 LYS 15 HE2 LYS 15 -2.762 -11.972 9.981 127 HE3 LYS 15 HE1 LYS 15 -3.039 -10.339 9.388 128 HZ1 LYS 15 HZ1 LYS 15 -0.736 -10.365 8.527 129 HZ2 LYS 15 HZ2 LYS 15 -1.735 -11.520 7.799 130 HZ3 LYS 15 HZ3 LYS 15 -0.613 -11.992 8.973 131 H ASN 16 HN ASN 16 -5.159 -6.567 10.387 132 HA ASN 16 HA ASN 16 -7.533 -6.629 11.986 133 HB2 ASN 16 HB2 ASN 16 -6.094 -4.596 11.671 134 HB3 ASN 16 HB1 ASN 16 -6.657 -4.509 10.010 135 HD21 ASN 16 HD21 ASN 16 -9.099 -5.607 12.116 136 HD22 ASN 16 HD22 ASN 16 -9.923 -4.105 12.309 137 H GLN 17 HN GLN 17 -6.835 -6.543 8.510 138 HA GLN 17 HA GLN 17 -9.570 -6.504 7.697 139 HB2 GLN 17 HB2 GLN 17 -7.785 -5.604 6.281 140 HB3 GLN 17 HB1 GLN 17 -7.081 -7.209 6.135 141 HG2 GLN 17 HG2 GLN 17 -8.307 -6.673 4.138 142 HG3 GLN 17 HG1 GLN 17 -9.118 -7.980 4.997 143 HE21 GLN 17 HE21 GLN 17 -11.241 -7.797 4.989 144 HE22 GLN 17 HE22 GLN 17 -12.137 -6.321 5.004 145 H ASP 18 HN ASP 18 -7.080 -9.070 7.613 146 HA ASP 18 HA ASP 18 -9.253 -11.046 7.727 147 HB2 ASP 18 HB2 ASP 18 -8.032 -12.499 6.166 148 HB3 ASP 18 HB1 ASP 18 -8.476 -10.970 5.422 149 HN1 NH2 19 HN1 NH2 19 -7.752 -10.098 9.918 150 HN2 NH2 19 HN2 NH2 19 -6.820 -11.415 10.532 Start of MODEL 7 1 H1 PHE 1 HN PHE 1 19.297 -6.270 4.943 2 HA PHE 1 HA PHE 1 19.419 -7.724 3.159 3 HB2 PHE 1 HB2 PHE 1 17.493 -9.633 4.172 4 HB3 PHE 1 HB1 PHE 1 19.244 -9.764 4.082 5 HD1 PHE 1 HD1 PHE 1 16.648 -8.026 6.142 6 HD2 PHE 1 HD2 PHE 1 20.369 -10.097 6.057 7 HE1 PHE 1 HE1 PHE 1 16.768 -7.905 8.596 8 HE2 PHE 1 HE2 PHE 1 20.491 -9.979 8.510 9 HZ PHE 1 HZ PHE 1 18.691 -8.884 9.783 10 H GLY 2 HN GLY 2 15.987 -7.693 4.199 11 HA2 GLY 2 HA2 GLY 2 15.122 -8.048 1.443 12 HA3 GLY 2 HA1 GLY 2 14.090 -7.995 2.864 13 H GLY 3 HN GLY 3 14.406 -6.486 0.107 14 HA2 GLY 3 HA2 GLY 3 14.748 -3.748 0.776 15 HA3 GLY 3 HA1 GLY 3 13.994 -4.367 -0.686 16 H PHE 4 HN PHE 4 13.494 -2.663 2.132 17 HA PHE 4 HA PHE 4 11.683 -1.683 3.078 18 HB2 PHE 4 HB2 PHE 4 11.029 -1.427 0.621 19 HB3 PHE 4 HB1 PHE 4 9.975 -2.815 0.867 20 HD1 PHE 4 HD2 PHE 4 10.755 0.314 2.756 21 HD2 PHE 4 HD1 PHE 4 7.768 -2.239 1.117 22 HE1 PHE 4 HE2 PHE 4 9.005 1.817 3.613 23 HE2 PHE 4 HE1 PHE 4 6.013 -0.736 1.971 24 HZ PHE 4 HZ PHE 4 6.632 1.292 3.219 25 H THR 5 HN THR 5 10.278 -2.201 4.696 26 HA THR 5 HA THR 5 9.046 -4.845 4.749 27 HB THR 5 HB THR 5 10.807 -3.921 7.035 28 HG1 THR 5 HG1 THR 5 12.318 -4.646 5.710 29 HG21 THR 5 HG21 THR 5 9.728 -5.476 8.212 30 HG22 THR 5 HG22 THR 5 10.341 -6.696 7.096 31 HG23 THR 5 HG23 THR 5 8.776 -5.940 6.803 32 H GLY 6 HN GLY 6 7.771 -2.430 4.393 33 HA2 GLY 6 HA2 GLY 6 6.716 -1.551 6.967 34 HA3 GLY 6 HA1 GLY 6 6.354 -0.854 5.395 35 H LYS 7 HN LYS 7 5.676 -3.397 4.156 36 HA LYS 7 HA LYS 7 2.965 -3.463 4.384 37 HB2 LYS 7 HB2 LYS 7 4.998 -5.276 3.330 38 HB3 LYS 7 HB1 LYS 7 3.519 -6.095 3.804 39 HG2 LYS 7 HG2 LYS 7 3.635 -3.729 1.947 40 HG3 LYS 7 HG1 LYS 7 3.573 -5.413 1.429 41 HD2 LYS 7 HD2 LYS 7 1.477 -4.077 3.144 42 HD3 LYS 7 HD1 LYS 7 1.364 -4.264 1.394 43 HE2 LYS 7 HE2 LYS 7 0.211 -6.124 2.014 44 HE3 LYS 7 HE1 LYS 7 1.837 -6.800 2.021 45 HZ1 LYS 7 HZ1 LYS 7 1.831 -6.495 4.453 46 H ARG 8 HN ARG 8 5.199 -5.528 6.254 47 HA ARG 8 HA ARG 8 3.361 -7.162 7.495 48 HB2 ARG 8 HB2 ARG 8 4.969 -7.485 9.283 49 HB3 ARG 8 HB1 ARG 8 5.794 -7.432 7.734 50 HG2 ARG 8 HG2 ARG 8 6.524 -5.160 8.168 51 HG3 ARG 8 HG1 ARG 8 5.631 -5.143 9.691 52 HD2 ARG 8 HD2 ARG 8 7.019 -7.022 10.487 53 HD3 ARG 8 HD1 ARG 8 7.944 -6.950 8.988 54 HE ARG 8 HE ARG 8 8.000 -4.416 10.162 55 HH11 ARG 8 HH11 ARG 8 9.195 -7.649 10.793 56 HH12 ARG 8 HH12 ARG 8 10.556 -7.099 11.710 57 HH21 ARG 8 HH21 ARG 8 9.796 -3.702 11.381 58 HH22 ARG 8 HH22 ARG 8 10.896 -4.863 12.046 59 H LYS 9 HN LYS 9 4.193 -3.847 8.282 60 HA LYS 9 HA LYS 9 2.862 -3.680 10.767 61 HB2 LYS 9 HB2 LYS 9 4.558 -2.057 9.746 62 HB3 LYS 9 HB1 LYS 9 3.213 -1.397 8.833 63 HG2 LYS 9 HG2 LYS 9 3.641 -0.062 10.800 64 HG3 LYS 9 HG1 LYS 9 2.064 -0.839 10.912 65 HD2 LYS 9 HD2 LYS 9 3.093 -1.024 13.049 66 HD3 LYS 9 HD1 LYS 9 3.144 -2.623 12.311 67 HE2 LYS 9 HE2 LYS 9 5.444 -0.679 12.223 68 HE3 LYS 9 HE1 LYS 9 5.249 -1.891 13.486 69 HZ1 LYS 9 HZ1 LYS 9 5.024 -3.390 11.283 70 HZ2 LYS 9 HZ2 LYS 9 6.480 -3.129 12.102 71 HZ3 LYS 9 HZ3 LYS 9 6.104 -2.204 10.737 72 H SER 10 HN SER 10 1.826 -2.576 7.538 73 HA SER 10 HA SER 10 -0.805 -1.887 8.335 74 HB2 SER 10 HB2 SER 10 0.305 -2.499 5.586 75 HB3 SER 10 HB1 SER 10 -1.268 -1.765 5.900 76 HG SER 10 HG SER 10 1.263 -0.665 6.023 77 H ASP 11 HN ASP 11 0.478 -4.710 6.589 78 HA ASP 11 HA ASP 11 -1.967 -6.057 6.295 79 HB2 ASP 11 HB2 ASP 11 0.888 -7.030 6.301 80 HB3 ASP 11 HB1 ASP 11 -0.471 -8.121 6.049 81 H ARG 12 HN ARG 12 0.448 -6.164 8.885 82 HA ARG 12 HA ARG 12 -0.600 -8.317 10.339 83 HB2 ARG 12 HB2 ARG 12 1.608 -7.394 10.793 84 HB3 ARG 12 HB1 ARG 12 0.893 -5.881 11.322 85 HG2 ARG 12 HG2 ARG 12 1.629 -7.249 13.204 86 HG3 ARG 12 HG1 ARG 12 -0.115 -6.991 13.231 87 HD2 ARG 12 HD2 ARG 12 -0.478 -9.209 12.304 88 HD3 ARG 12 HD1 ARG 12 1.261 -9.462 12.177 89 HE ARG 12 HE ARG 12 1.234 -10.127 14.344 90 HH11 ARG 12 HH11 ARG 12 -1.558 -8.046 13.888 91 HH12 ARG 12 HH12 ARG 12 -2.098 -8.221 15.522 92 HH21 ARG 12 HH21 ARG 12 0.498 -10.358 16.483 93 HH22 ARG 12 HH22 ARG 12 -0.938 -9.533 16.993 94 H LYS 13 HN LYS 13 -1.292 -4.845 10.591 95 HA LYS 13 HA LYS 13 -3.161 -5.121 12.726 96 HB2 LYS 13 HB2 LYS 13 -1.802 -3.044 11.912 97 HB3 LYS 13 HB1 LYS 13 -3.152 -2.808 10.814 98 HG2 LYS 13 HG2 LYS 13 -3.320 -2.912 13.818 99 HG3 LYS 13 HG1 LYS 13 -3.377 -1.458 12.823 100 HD2 LYS 13 HD2 LYS 13 -5.428 -2.329 11.740 101 HD3 LYS 13 HD1 LYS 13 -5.382 -3.714 12.833 102 HE2 LYS 13 HE2 LYS 13 -5.530 -2.170 14.749 103 HE3 LYS 13 HE1 LYS 13 -5.654 -0.816 13.626 104 HZ1 LYS 13 HZ1 LYS 13 -7.831 -1.400 14.327 105 HZ2 LYS 13 HZ2 LYS 13 -7.588 -3.036 13.976 106 HZ3 LYS 13 HZ3 LYS 13 -7.677 -1.907 12.719 107 H LYS 14 HN LYS 14 -3.571 -4.462 9.247 108 HA LYS 14 HA LYS 14 -6.351 -4.408 9.184 109 HB2 LYS 14 HB2 LYS 14 -4.520 -3.882 7.353 110 HB3 LYS 14 HB1 LYS 14 -4.851 -5.534 6.857 111 HG2 LYS 14 HG2 LYS 14 -6.790 -3.235 6.964 112 HG3 LYS 14 HG1 LYS 14 -6.181 -4.063 5.532 113 HD2 LYS 14 HD2 LYS 14 -7.892 -5.326 7.673 114 HD3 LYS 14 HD1 LYS 14 -8.486 -4.724 6.128 115 HE2 LYS 14 HE2 LYS 14 -7.593 -6.461 4.946 116 HE3 LYS 14 HE1 LYS 14 -6.249 -6.679 6.065 117 HZ1 LYS 14 HZ1 LYS 14 -7.492 -8.388 6.901 118 H LYS 15 HN LYS 15 -4.200 -7.189 8.501 119 HA LYS 15 HA LYS 15 -6.166 -9.054 7.911 120 HB2 LYS 15 HB2 LYS 15 -4.566 -10.740 8.172 121 HB3 LYS 15 HB1 LYS 15 -3.629 -9.327 7.724 122 HG2 LYS 15 HG2 LYS 15 -2.348 -10.182 9.406 123 HG3 LYS 15 HG1 LYS 15 -3.360 -9.061 10.318 124 HD2 LYS 15 HD2 LYS 15 -4.818 -10.873 10.996 125 HD3 LYS 15 HD1 LYS 15 -3.926 -12.012 9.988 126 HE2 LYS 15 HE2 LYS 15 -3.203 -12.325 12.237 127 HE3 LYS 15 HE1 LYS 15 -1.900 -11.513 11.371 128 HZ1 LYS 15 HZ1 LYS 15 -2.200 -10.496 13.504 129 HZ2 LYS 15 HZ2 LYS 15 -3.848 -10.250 13.221 130 HZ3 LYS 15 HZ3 LYS 15 -2.699 -9.399 12.317 131 H ASN 16 HN ASN 16 -4.987 -7.970 11.036 132 HA ASN 16 HA ASN 16 -6.312 -9.890 12.628 133 HB2 ASN 16 HB2 ASN 16 -4.488 -8.379 13.430 134 HB3 ASN 16 HB1 ASN 16 -5.621 -7.035 13.359 135 HD21 ASN 16 HD21 ASN 16 -4.249 -9.266 15.342 136 HD22 ASN 16 HD22 ASN 16 -5.415 -9.274 16.615 137 H GLN 17 HN GLN 17 -7.246 -6.659 11.509 138 HA GLN 17 HA GLN 17 -9.736 -6.524 12.807 139 HB2 GLN 17 HB2 GLN 17 -8.589 -4.565 11.868 140 HB3 GLN 17 HB1 GLN 17 -8.854 -5.187 10.246 141 HG2 GLN 17 HG2 GLN 17 -11.262 -4.978 10.546 142 HG3 GLN 17 HG1 GLN 17 -11.011 -4.382 12.186 143 HE21 GLN 17 HE21 GLN 17 -11.702 -3.430 9.148 144 HE22 GLN 17 HE22 GLN 17 -11.089 -1.816 9.187 145 H ASP 18 HN ASP 18 -8.928 -7.523 9.476 146 HA ASP 18 HA ASP 18 -11.529 -8.016 8.585 147 HB2 ASP 18 HB2 ASP 18 -9.042 -9.536 7.761 148 HB3 ASP 18 HB1 ASP 18 -10.536 -9.398 6.841 149 HN1 NH2 19 HN1 NH2 19 -9.187 -10.342 9.919 150 HN2 NH2 19 HN2 NH2 19 -10.367 -11.488 10.446 Start of MODEL 8 1 H1 PHE 1 HN PHE 1 13.893 -5.435 -3.903 2 HA PHE 1 HA PHE 1 14.381 -3.263 -4.458 3 HB2 PHE 1 HB2 PHE 1 15.827 -4.314 -6.278 4 HB3 PHE 1 HB1 PHE 1 14.457 -4.102 -7.362 5 HD1 PHE 1 HD2 PHE 1 13.423 -1.514 -6.899 6 HD2 PHE 1 HD1 PHE 1 17.476 -2.800 -6.702 7 HE1 PHE 1 HE2 PHE 1 14.168 0.781 -7.363 8 HE2 PHE 1 HE1 PHE 1 18.228 -0.506 -7.170 9 HZ PHE 1 HZ PHE 1 16.574 1.288 -7.501 10 H GLY 2 HN GLY 2 12.392 -4.687 -7.074 11 HA2 GLY 2 HA2 GLY 2 10.687 -2.406 -7.268 12 HA3 GLY 2 HA1 GLY 2 10.424 -3.968 -8.026 13 H GLY 3 HN GLY 3 10.276 -5.629 -5.820 14 HA2 GLY 3 HA2 GLY 3 7.609 -5.058 -4.917 15 HA3 GLY 3 HA1 GLY 3 8.559 -6.483 -4.533 16 H PHE 4 HN PHE 4 8.930 -2.976 -3.874 17 HA PHE 4 HA PHE 4 9.863 -3.529 -1.199 18 HB2 PHE 4 HB2 PHE 4 9.624 -1.140 -2.938 19 HB3 PHE 4 HB1 PHE 4 9.489 -0.846 -1.209 20 HD1 PHE 4 HD2 PHE 4 11.581 -3.605 -2.354 21 HD2 PHE 4 HD1 PHE 4 11.495 0.518 -1.297 22 HE1 PHE 4 HE2 PHE 4 14.035 -3.611 -2.134 23 HE2 PHE 4 HE1 PHE 4 13.943 0.517 -1.074 24 HZ PHE 4 HZ PHE 4 15.216 -1.549 -1.491 25 H THR 5 HN THR 5 8.535 -3.935 0.448 26 HA THR 5 HA THR 5 6.376 -2.272 1.157 27 HB THR 5 HB THR 5 5.147 -3.269 -0.657 28 HG1 THR 5 HG1 THR 5 4.213 -4.636 1.652 29 HG21 THR 5 HG21 THR 5 4.987 -6.008 0.247 30 HG22 THR 5 HG22 THR 5 6.654 -5.563 -0.118 31 HG23 THR 5 HG23 THR 5 5.403 -5.375 -1.346 32 H GLY 6 HN GLY 6 6.107 -2.441 3.288 33 HA2 GLY 6 HA2 GLY 6 7.480 -4.475 4.769 34 HA3 GLY 6 HA1 GLY 6 6.475 -3.196 5.437 35 H LYS 7 HN LYS 7 6.715 -6.365 5.537 36 HA LYS 7 HA LYS 7 4.022 -7.145 4.875 37 HB2 LYS 7 HB2 LYS 7 6.288 -8.566 5.014 38 HB3 LYS 7 HB1 LYS 7 5.693 -8.859 6.641 39 HG2 LYS 7 HG2 LYS 7 4.239 -9.469 4.070 40 HG3 LYS 7 HG1 LYS 7 5.002 -10.635 5.151 41 HD2 LYS 7 HD2 LYS 7 2.727 -8.825 5.946 42 HD3 LYS 7 HD1 LYS 7 2.524 -10.481 5.385 43 HE2 LYS 7 HE2 LYS 7 3.233 -11.369 7.326 44 HE3 LYS 7 HE1 LYS 7 4.472 -10.136 7.559 45 HZ1 LYS 7 HZ1 LYS 7 3.028 -9.034 8.921 46 H ARG 8 HN ARG 8 5.811 -6.278 7.778 47 HA ARG 8 HA ARG 8 4.068 -7.086 9.761 48 HB2 ARG 8 HB2 ARG 8 5.897 -4.703 9.588 49 HB3 ARG 8 HB1 ARG 8 4.955 -5.048 11.033 50 HG2 ARG 8 HG2 ARG 8 6.044 -7.263 11.163 51 HG3 ARG 8 HG1 ARG 8 7.044 -6.815 9.778 52 HD2 ARG 8 HD2 ARG 8 8.148 -5.129 10.982 53 HD3 ARG 8 HD1 ARG 8 6.929 -5.121 12.257 54 HE ARG 8 HE ARG 8 8.093 -6.776 13.297 55 HH11 ARG 8 HH11 ARG 8 9.093 -6.724 9.944 56 HH12 ARG 8 HH12 ARG 8 10.228 -8.016 10.137 57 HH21 ARG 8 HH21 ARG 8 9.579 -8.475 13.547 58 HH22 ARG 8 HH22 ARG 8 10.506 -9.012 12.184 59 H LYS 9 HN LYS 9 4.021 -4.068 7.908 60 HA LYS 9 HA LYS 9 1.886 -2.884 9.287 61 HB2 LYS 9 HB2 LYS 9 1.594 -1.441 7.308 62 HB3 LYS 9 HB1 LYS 9 3.268 -1.552 7.824 63 HG2 LYS 9 HG2 LYS 9 3.793 -3.032 6.020 64 HG3 LYS 9 HG1 LYS 9 2.096 -3.143 5.554 65 HD2 LYS 9 HD2 LYS 9 3.783 -0.643 5.486 66 HD3 LYS 9 HD1 LYS 9 3.337 -1.622 4.087 67 HE2 LYS 9 HE2 LYS 9 0.949 -1.174 4.609 68 HE3 LYS 9 HE1 LYS 9 1.470 -0.095 5.900 69 HZ1 LYS 9 HZ1 LYS 9 2.518 1.326 4.302 70 HZ2 LYS 9 HZ2 LYS 9 0.919 1.062 3.814 71 HZ3 LYS 9 HZ3 LYS 9 2.184 0.250 3.039 72 H SER 10 HN SER 10 1.844 -4.912 6.356 73 HA SER 10 HA SER 10 -0.905 -4.783 5.874 74 HB2 SER 10 HB2 SER 10 0.673 -5.740 4.246 75 HB3 SER 10 HB1 SER 10 0.955 -7.111 5.320 76 HG SER 10 HG SER 10 -0.614 -7.898 4.105 77 H ASP 11 HN ASP 11 0.921 -7.226 7.721 78 HA ASP 11 HA ASP 11 -1.316 -8.723 8.551 79 HB2 ASP 11 HB2 ASP 11 1.328 -8.430 10.002 80 HB3 ASP 11 HB1 ASP 11 0.162 -9.733 10.208 81 H ARG 12 HN ARG 12 0.262 -5.890 9.923 82 HA ARG 12 HA ARG 12 -0.803 -5.837 12.471 83 HB2 ARG 12 HB2 ARG 12 0.901 -4.265 11.493 84 HB3 ARG 12 HB1 ARG 12 -0.421 -3.414 10.716 85 HG2 ARG 12 HG2 ARG 12 -1.393 -3.024 12.992 86 HG3 ARG 12 HG1 ARG 12 0.095 -3.693 13.664 87 HD2 ARG 12 HD2 ARG 12 -0.173 -1.246 11.922 88 HD3 ARG 12 HD1 ARG 12 0.241 -1.286 13.632 89 HE ARG 12 HE ARG 12 2.148 -2.805 12.304 90 HH11 ARG 12 HH11 ARG 12 1.068 0.521 12.361 91 HH12 ARG 12 HH12 ARG 12 2.619 1.165 11.940 92 HH21 ARG 12 HH21 ARG 12 4.194 -1.958 11.744 93 HH22 ARG 12 HH22 ARG 12 4.397 -0.245 11.589 94 H LYS 13 HN LYS 13 -2.173 -4.233 9.586 95 HA LYS 13 HA LYS 13 -4.571 -3.509 10.934 96 HB2 LYS 13 HB2 LYS 13 -3.577 -3.318 8.141 97 HB3 LYS 13 HB1 LYS 13 -5.319 -3.247 8.378 98 HG2 LYS 13 HG2 LYS 13 -4.374 -1.018 8.328 99 HG3 LYS 13 HG1 LYS 13 -5.036 -1.371 9.923 100 HD2 LYS 13 HD2 LYS 13 -2.964 -0.289 10.289 101 HD3 LYS 13 HD1 LYS 13 -2.685 -2.000 10.616 102 HE2 LYS 13 HE2 LYS 13 -1.736 -2.268 8.376 103 HE3 LYS 13 HE1 LYS 13 -2.015 -0.558 8.054 104 HZ1 LYS 13 HZ1 LYS 13 0.207 -0.681 8.689 105 HZ2 LYS 13 HZ2 LYS 13 -0.097 -1.780 9.938 106 HZ3 LYS 13 HZ3 LYS 13 -0.576 -0.165 10.100 107 H LYS 14 HN LYS 14 -3.683 -6.268 8.914 108 HA LYS 14 HA LYS 14 -6.215 -7.250 8.348 109 HB2 LYS 14 HB2 LYS 14 -3.592 -8.662 8.727 110 HB3 LYS 14 HB1 LYS 14 -5.055 -9.535 8.304 111 HG2 LYS 14 HG2 LYS 14 -3.698 -7.379 6.710 112 HG3 LYS 14 HG1 LYS 14 -3.823 -9.089 6.308 113 HD2 LYS 14 HD2 LYS 14 -6.187 -7.224 6.558 114 HD3 LYS 14 HD1 LYS 14 -5.381 -7.600 5.039 115 HE2 LYS 14 HE2 LYS 14 -7.204 -9.047 5.068 116 HE3 LYS 14 HE1 LYS 14 -5.859 -10.049 5.602 117 HZ1 LYS 14 HZ1 LYS 14 -6.727 -9.855 7.866 118 H LYS 15 HN LYS 15 -4.298 -7.768 11.299 119 HA LYS 15 HA LYS 15 -5.904 -9.767 12.399 120 HB2 LYS 15 HB2 LYS 15 -3.658 -8.683 13.272 121 HB3 LYS 15 HB1 LYS 15 -4.758 -7.677 14.207 122 HG2 LYS 15 HG2 LYS 15 -5.809 -9.816 15.050 123 HG3 LYS 15 HG1 LYS 15 -4.445 -10.665 14.312 124 HD2 LYS 15 HD2 LYS 15 -2.909 -9.253 15.675 125 HD3 LYS 15 HD1 LYS 15 -4.324 -8.560 16.474 126 HE2 LYS 15 HE2 LYS 15 -4.965 -10.840 17.219 127 HE3 LYS 15 HE1 LYS 15 -3.472 -11.458 16.503 128 HZ1 LYS 15 HZ1 LYS 15 -2.843 -11.140 18.667 129 HZ2 LYS 15 HZ2 LYS 15 -3.832 -9.785 18.895 130 HZ3 LYS 15 HZ3 LYS 15 -2.395 -9.645 18.009 131 H ASN 16 HN ASN 16 -6.160 -6.239 12.731 132 HA ASN 16 HA ASN 16 -8.594 -6.403 14.265 133 HB2 ASN 16 HB2 ASN 16 -6.934 -4.561 14.542 134 HB3 ASN 16 HB1 ASN 16 -7.354 -3.986 12.929 135 HD21 ASN 16 HD21 ASN 16 -8.008 -3.705 16.190 136 HD22 ASN 16 HD22 ASN 16 -9.513 -2.863 16.084 137 H GLN 17 HN GLN 17 -7.795 -5.199 11.017 138 HA GLN 17 HA GLN 17 -10.309 -4.542 10.092 139 HB2 GLN 17 HB2 GLN 17 -8.281 -4.015 8.870 140 HB3 GLN 17 HB1 GLN 17 -7.963 -5.720 8.593 141 HG2 GLN 17 HG2 GLN 17 -10.075 -5.824 7.270 142 HG3 GLN 17 HG1 GLN 17 -10.190 -4.070 7.431 143 HE21 GLN 17 HE21 GLN 17 -9.385 -2.953 5.799 144 HE22 GLN 17 HE22 GLN 17 -8.151 -3.485 4.715 145 H ASP 18 HN ASP 18 -8.641 -7.596 9.303 146 HA ASP 18 HA ASP 18 -10.985 -8.854 8.330 147 HB2 ASP 18 HB2 ASP 18 -8.363 -10.075 9.222 148 HB3 ASP 18 HB1 ASP 18 -9.639 -10.944 8.381 149 HN1 NH2 19 HN1 NH2 19 -9.213 -9.147 11.405 150 HN2 NH2 19 HN2 NH2 19 -10.498 -9.916 12.267 Start of MODEL 9 1 H1 PHE 1 HN PHE 1 12.172 -8.664 -5.301 2 HA PHE 1 HA PHE 1 10.073 -10.438 -4.267 3 HB2 PHE 1 HB2 PHE 1 10.917 -9.876 -1.937 4 HB3 PHE 1 HB1 PHE 1 11.915 -10.970 -2.884 5 HD1 PHE 1 HD2 PHE 1 11.602 -7.296 -2.223 6 HD2 PHE 1 HD1 PHE 1 14.173 -10.628 -2.862 7 HE1 PHE 1 HE2 PHE 1 13.556 -5.856 -1.834 8 HE2 PHE 1 HE1 PHE 1 16.132 -9.193 -2.467 9 HZ PHE 1 HZ PHE 1 15.825 -6.805 -1.955 10 H GLY 2 HN GLY 2 9.667 -8.120 -5.821 11 HA2 GLY 2 HA2 GLY 2 9.164 -5.795 -4.301 12 HA3 GLY 2 HA1 GLY 2 8.443 -6.179 -5.856 13 H GLY 3 HN GLY 3 7.126 -8.594 -5.046 14 HA2 GLY 3 HA2 GLY 3 4.646 -7.652 -4.276 15 HA3 GLY 3 HA1 GLY 3 5.161 -9.321 -4.121 16 H PHE 4 HN PHE 4 3.673 -7.109 -2.464 17 HA PHE 4 HA PHE 4 3.189 -6.764 -0.277 18 HB2 PHE 4 HB2 PHE 4 5.027 -9.107 0.249 19 HB3 PHE 4 HB1 PHE 4 3.898 -8.404 1.400 20 HD1 PHE 4 HD2 PHE 4 4.166 -10.304 -1.751 21 HD2 PHE 4 HD1 PHE 4 1.601 -8.958 1.368 22 HE1 PHE 4 HE2 PHE 4 2.407 -11.825 -2.548 23 HE2 PHE 4 HE1 PHE 4 -0.163 -10.481 0.578 24 HZ PHE 4 HZ PHE 4 0.238 -11.915 -1.383 25 H THR 5 HN THR 5 3.789 -5.223 0.996 26 HA THR 5 HA THR 5 6.476 -4.192 0.888 27 HB THR 5 HB THR 5 4.484 -2.715 0.839 28 HG1 THR 5 HG1 THR 5 5.476 -1.166 2.017 29 HG21 THR 5 HG21 THR 5 3.470 -4.252 2.806 30 HG22 THR 5 HG22 THR 5 2.930 -2.606 2.475 31 HG23 THR 5 HG23 THR 5 4.102 -2.909 3.759 32 H GLY 6 HN GLY 6 6.487 -3.082 3.543 33 HA2 GLY 6 HA2 GLY 6 7.792 -5.253 4.900 34 HA3 GLY 6 HA1 GLY 6 7.678 -3.590 5.451 35 H LYS 7 HN LYS 7 6.414 -3.176 7.106 36 HA LYS 7 HA LYS 7 4.865 -5.320 8.275 37 HB2 LYS 7 HB2 LYS 7 4.718 -4.024 10.231 38 HB3 LYS 7 HB1 LYS 7 6.330 -3.726 9.600 39 HG2 LYS 7 HG2 LYS 7 5.829 -1.559 8.969 40 HG3 LYS 7 HG1 LYS 7 4.095 -1.869 8.902 41 HD2 LYS 7 HD2 LYS 7 5.803 -1.647 11.378 42 HD3 LYS 7 HD1 LYS 7 4.586 -0.496 10.824 43 HE2 LYS 7 HE2 LYS 7 4.130 -3.311 11.812 44 HE3 LYS 7 HE1 LYS 7 3.647 -1.814 12.600 45 HZ1 LYS 7 HZ1 LYS 7 2.467 -2.021 10.024 46 H ARG 8 HN ARG 8 4.186 -2.574 6.292 47 HA ARG 8 HA ARG 8 1.699 -1.725 7.050 48 HB2 ARG 8 HB2 ARG 8 3.142 -1.053 4.999 49 HB3 ARG 8 HB1 ARG 8 2.272 -2.329 4.161 50 HG2 ARG 8 HG2 ARG 8 0.144 -1.173 4.833 51 HG3 ARG 8 HG1 ARG 8 1.147 0.176 5.372 52 HD2 ARG 8 HD2 ARG 8 0.778 -0.903 2.592 53 HD3 ARG 8 HD1 ARG 8 0.492 0.732 3.181 54 HE ARG 8 HE ARG 8 2.909 -0.278 2.131 55 HH11 ARG 8 HH11 ARG 8 1.742 1.861 4.651 56 HH12 ARG 8 HH12 ARG 8 3.213 2.769 4.723 57 HH21 ARG 8 HH21 ARG 8 4.834 0.928 2.232 58 HH22 ARG 8 HH22 ARG 8 4.966 2.243 3.353 59 H LYS 9 HN LYS 9 2.542 -4.627 5.261 60 HA LYS 9 HA LYS 9 -0.112 -5.492 4.769 61 HB2 LYS 9 HB2 LYS 9 1.701 -6.355 3.432 62 HB3 LYS 9 HB1 LYS 9 2.494 -7.019 4.854 63 HG2 LYS 9 HG2 LYS 9 -0.155 -8.078 4.687 64 HG3 LYS 9 HG1 LYS 9 0.652 -8.276 3.130 65 HD2 LYS 9 HD2 LYS 9 2.522 -9.383 4.208 66 HD3 LYS 9 HD1 LYS 9 1.797 -9.117 5.794 67 HE2 LYS 9 HE2 LYS 9 1.405 -11.394 5.080 68 HE3 LYS 9 HE1 LYS 9 -0.119 -10.511 5.129 69 HZ1 LYS 9 HZ1 LYS 9 0.057 -10.209 2.714 70 HZ2 LYS 9 HZ2 LYS 9 0.005 -11.844 3.145 71 HZ3 LYS 9 HZ3 LYS 9 1.474 -11.134 2.700 72 H SER 10 HN SER 10 2.246 -6.293 7.306 73 HA SER 10 HA SER 10 0.653 -8.187 8.649 74 HB2 SER 10 HB2 SER 10 3.057 -8.034 9.047 75 HB3 SER 10 HB1 SER 10 2.859 -6.420 9.736 76 HG SER 10 HG SER 10 2.260 -7.291 11.556 77 H ASP 11 HN ASP 11 1.134 -4.710 9.267 78 HA ASP 11 HA ASP 11 -0.660 -4.594 11.458 79 HB2 ASP 11 HB2 ASP 11 0.403 -2.416 9.652 80 HB3 ASP 11 HB1 ASP 11 -0.586 -2.108 11.075 81 H ARG 12 HN ARG 12 -1.057 -3.762 8.018 82 HA ARG 12 HA ARG 12 -3.675 -2.810 8.164 83 HB2 ARG 12 HB2 ARG 12 -2.223 -2.589 6.176 84 HB3 ARG 12 HB1 ARG 12 -2.389 -4.310 5.876 85 HG2 ARG 12 HG2 ARG 12 -3.851 -3.161 4.390 86 HG3 ARG 12 HG1 ARG 12 -4.842 -3.961 5.609 87 HD2 ARG 12 HD2 ARG 12 -4.020 -1.064 5.773 88 HD3 ARG 12 HD1 ARG 12 -5.519 -1.605 5.022 89 HE ARG 12 HE ARG 12 -5.531 -2.710 7.533 90 HH11 ARG 12 HH11 ARG 12 -5.338 0.549 6.251 91 HH12 ARG 12 HH12 ARG 12 -6.158 1.252 7.605 92 HH21 ARG 12 HH21 ARG 12 -6.612 -1.767 9.298 93 HH22 ARG 12 HH22 ARG 12 -6.876 -0.056 9.329 94 H LYS 13 HN LYS 13 -2.477 -6.107 7.705 95 HA LYS 13 HA LYS 13 -5.007 -7.318 7.350 96 HB2 LYS 13 HB2 LYS 13 -2.712 -8.297 6.805 97 HB3 LYS 13 HB1 LYS 13 -2.571 -8.669 8.515 98 HG2 LYS 13 HG2 LYS 13 -4.820 -9.669 6.783 99 HG3 LYS 13 HG1 LYS 13 -3.320 -10.556 7.039 100 HD2 LYS 13 HD2 LYS 13 -5.239 -9.709 9.210 101 HD3 LYS 13 HD1 LYS 13 -5.143 -11.320 8.507 102 HE2 LYS 13 HE2 LYS 13 -2.889 -9.929 9.951 103 HE3 LYS 13 HE1 LYS 13 -3.963 -11.126 10.671 104 HZ1 LYS 13 HZ1 LYS 13 -2.202 -12.421 10.045 105 HZ2 LYS 13 HZ2 LYS 13 -1.845 -11.501 8.671 106 HZ3 LYS 13 HZ3 LYS 13 -3.167 -12.556 8.662 107 H LYS 14 HN LYS 14 -2.924 -6.988 10.220 108 HA LYS 14 HA LYS 14 -4.529 -8.333 12.041 109 HB2 LYS 14 HB2 LYS 14 -2.514 -6.136 12.359 110 HB3 LYS 14 HB1 LYS 14 -3.394 -6.750 13.751 111 HG2 LYS 14 HG2 LYS 14 -2.010 -8.678 11.954 112 HG3 LYS 14 HG1 LYS 14 -1.056 -7.722 13.086 113 HD2 LYS 14 HD2 LYS 14 -1.637 -9.880 14.056 114 HD3 LYS 14 HD1 LYS 14 -2.407 -8.569 14.945 115 HE2 LYS 14 HE2 LYS 14 -3.892 -9.978 12.761 116 HE3 LYS 14 HE1 LYS 14 -3.758 -10.714 14.356 117 HZ1 LYS 14 HZ1 LYS 14 -4.750 -7.977 14.244 118 H LYS 15 HN LYS 15 -4.529 -4.824 11.350 119 HA LYS 15 HA LYS 15 -6.553 -4.172 13.182 120 HB2 LYS 15 HB2 LYS 15 -5.461 -2.839 10.740 121 HB3 LYS 15 HB1 LYS 15 -6.927 -2.205 11.473 122 HG2 LYS 15 HG2 LYS 15 -4.919 -1.043 12.254 123 HG3 LYS 15 HG1 LYS 15 -5.772 -1.851 13.569 124 HD2 LYS 15 HD2 LYS 15 -4.173 -3.706 13.461 125 HD3 LYS 15 HD1 LYS 15 -3.321 -2.891 12.150 126 HE2 LYS 15 HE2 LYS 15 -3.697 -1.762 14.920 127 HE3 LYS 15 HE1 LYS 15 -2.246 -2.593 14.365 128 HZ1 LYS 15 HZ1 LYS 15 -3.336 -0.016 13.379 129 HZ2 LYS 15 HZ2 LYS 15 -2.100 -0.857 12.589 130 HZ3 LYS 15 HZ3 LYS 15 -1.857 -0.283 14.160 131 H ASN 16 HN ASN 16 -6.749 -5.226 9.814 132 HA ASN 16 HA ASN 16 -9.560 -4.825 9.566 133 HB2 ASN 16 HB2 ASN 16 -8.153 -4.902 7.588 134 HB3 ASN 16 HB1 ASN 16 -7.665 -6.551 7.965 135 HD21 ASN 16 HD21 ASN 16 -8.671 -8.057 6.857 136 HD22 ASN 16 HD22 ASN 16 -10.258 -7.943 6.186 137 H GLN 17 HN GLN 17 -7.605 -7.776 10.016 138 HA GLN 17 HA GLN 17 -9.859 -9.485 10.320 139 HB2 GLN 17 HB2 GLN 17 -7.744 -10.372 9.539 140 HB3 GLN 17 HB1 GLN 17 -6.953 -9.895 11.035 141 HG2 GLN 17 HG2 GLN 17 -8.513 -11.456 12.235 142 HG3 GLN 17 HG1 GLN 17 -9.026 -12.037 10.653 143 HE21 GLN 17 HE21 GLN 17 -7.089 -12.729 13.164 144 HE22 GLN 17 HE22 GLN 17 -5.857 -13.638 12.364 145 H ASP 18 HN ASP 18 -7.384 -8.534 12.703 146 HA ASP 18 HA ASP 18 -8.822 -9.537 14.922 147 HB2 ASP 18 HB2 ASP 18 -6.660 -7.423 14.979 148 HB3 ASP 18 HB1 ASP 18 -7.145 -8.481 16.299 149 HN1 NH2 19 HN1 NH2 19 -8.552 -6.296 13.529 150 HN2 NH2 19 HN2 NH2 19 -9.812 -5.589 14.478 Start of MODEL 10 1 H1 PHE 1 HN PHE 1 9.099 -4.301 -9.999 2 HA PHE 1 HA PHE 1 10.806 -5.145 -8.730 3 HB2 PHE 1 HB2 PHE 1 9.764 -3.051 -6.803 4 HB3 PHE 1 HB1 PHE 1 11.377 -3.751 -6.786 5 HD1 PHE 1 HD2 PHE 1 9.152 -2.121 -9.331 6 HD2 PHE 1 HD1 PHE 1 13.019 -2.372 -7.563 7 HE1 PHE 1 HE2 PHE 1 9.944 -0.337 -10.823 8 HE2 PHE 1 HE1 PHE 1 13.815 -0.582 -9.053 9 HZ PHE 1 HZ PHE 1 12.277 0.437 -10.685 10 H GLY 2 HN GLY 2 10.553 -4.905 -5.611 11 HA2 GLY 2 HA2 GLY 2 9.843 -7.595 -5.152 12 HA3 GLY 2 HA1 GLY 2 10.093 -6.375 -3.915 13 H GLY 3 HN GLY 3 8.124 -8.485 -3.909 14 HA2 GLY 3 HA2 GLY 3 5.558 -7.466 -4.613 15 HA3 GLY 3 HA1 GLY 3 5.877 -8.845 -3.574 16 H PHE 4 HN PHE 4 4.480 -8.446 -1.936 17 HA PHE 4 HA PHE 4 4.439 -5.806 -0.690 18 HB2 PHE 4 HB2 PHE 4 2.741 -8.250 -0.139 19 HB3 PHE 4 HB1 PHE 4 2.512 -6.663 0.586 20 HD1 PHE 4 HD1 PHE 4 2.703 -8.317 -2.751 21 HD2 PHE 4 HD2 PHE 4 1.038 -5.177 -0.405 22 HE1 PHE 4 HE1 PHE 4 1.278 -7.667 -4.644 23 HE2 PHE 4 HE2 PHE 4 -0.397 -4.525 -2.298 24 HZ PHE 4 HZ PHE 4 -0.278 -5.773 -4.419 25 H THR 5 HN THR 5 6.836 -6.633 -0.225 26 HA THR 5 HA THR 5 7.369 -8.404 1.854 27 HB THR 5 HB THR 5 9.502 -7.184 2.159 28 HG1 THR 5 HG1 THR 5 8.553 -5.399 0.149 29 HG21 THR 5 HG21 THR 5 9.060 -8.824 0.268 30 HG22 THR 5 HG22 THR 5 10.414 -7.719 0.045 31 HG23 THR 5 HG23 THR 5 8.884 -7.417 -0.779 32 H GLY 6 HN GLY 6 6.533 -4.968 1.980 33 HA2 GLY 6 HA2 GLY 6 6.960 -4.716 4.803 34 HA3 GLY 6 HA1 GLY 6 6.163 -3.548 3.760 35 H LYS 7 HN LYS 7 5.541 -6.848 5.002 36 HA LYS 7 HA LYS 7 2.713 -6.488 4.966 37 HB2 LYS 7 HB2 LYS 7 2.549 -8.662 5.868 38 HB3 LYS 7 HB1 LYS 7 3.941 -8.699 4.796 39 HG2 LYS 7 HG2 LYS 7 5.458 -8.784 6.558 40 HG3 LYS 7 HG1 LYS 7 4.281 -8.192 7.729 41 HD2 LYS 7 HD2 LYS 7 4.356 -10.904 6.415 42 HD3 LYS 7 HD1 LYS 7 4.628 -10.532 8.118 43 HE2 LYS 7 HE2 LYS 7 2.051 -10.319 6.572 44 HE3 LYS 7 HE1 LYS 7 2.419 -11.417 7.898 45 HZ1 LYS 7 HZ1 LYS 7 2.663 -8.712 8.732 46 H ARG 8 HN ARG 8 5.093 -5.426 7.149 47 HA ARG 8 HA ARG 8 4.033 -5.757 9.647 48 HB2 ARG 8 HB2 ARG 8 5.150 -3.656 10.285 49 HB3 ARG 8 HB1 ARG 8 6.180 -4.681 9.298 50 HG2 ARG 8 HG2 ARG 8 5.629 -3.294 7.332 51 HG3 ARG 8 HG1 ARG 8 4.675 -2.238 8.375 52 HD2 ARG 8 HD2 ARG 8 7.631 -2.788 8.646 53 HD3 ARG 8 HD1 ARG 8 6.914 -1.331 7.960 54 HE ARG 8 HE ARG 8 5.884 -1.659 10.532 55 HH11 ARG 8 HH11 ARG 8 8.961 -0.982 9.005 56 HH12 ARG 8 HH12 ARG 8 9.571 -0.081 10.351 57 HH21 ARG 8 HH21 ARG 8 6.692 -0.475 12.303 58 HH22 ARG 8 HH22 ARG 8 8.281 0.207 12.226 59 H LYS 9 HN LYS 9 3.089 -3.373 7.220 60 HA LYS 9 HA LYS 9 1.152 -2.107 8.927 61 HB2 LYS 9 HB2 LYS 9 2.282 -0.888 7.100 62 HB3 LYS 9 HB1 LYS 9 1.476 -1.921 5.929 63 HG2 LYS 9 HG2 LYS 9 -0.689 -1.065 6.631 64 HG3 LYS 9 HG1 LYS 9 0.093 -0.064 7.855 65 HD2 LYS 9 HD2 LYS 9 -0.450 1.269 5.900 66 HD3 LYS 9 HD1 LYS 9 1.300 1.134 6.078 67 HE2 LYS 9 HE2 LYS 9 1.325 -0.647 4.390 68 HE3 LYS 9 HE1 LYS 9 -0.422 -0.492 4.209 69 HZ1 LYS 9 HZ1 LYS 9 -0.103 1.781 3.448 70 HZ2 LYS 9 HZ2 LYS 9 0.757 0.699 2.472 71 HZ3 LYS 9 HZ3 LYS 9 1.574 1.630 3.624 72 H SER 10 HN SER 10 1.044 -4.523 6.335 73 HA SER 10 HA SER 10 -1.752 -4.684 6.084 74 HB2 SER 10 HB2 SER 10 0.363 -6.779 5.559 75 HB3 SER 10 HB1 SER 10 -1.327 -6.923 5.073 76 HG SER 10 HG SER 10 0.705 -5.383 4.003 77 H ASP 11 HN ASP 11 0.485 -6.687 8.009 78 HA ASP 11 HA ASP 11 -1.527 -8.290 9.168 79 HB2 ASP 11 HB2 ASP 11 1.305 -7.696 10.021 80 HB3 ASP 11 HB1 ASP 11 0.261 -8.811 10.900 81 H ARG 12 HN ARG 12 -0.055 -5.237 10.195 82 HA ARG 12 HA ARG 12 -1.109 -5.109 12.785 83 HB2 ARG 12 HB2 ARG 12 -0.274 -3.042 10.786 84 HB3 ARG 12 HB1 ARG 12 -1.097 -2.533 12.252 85 HG2 ARG 12 HG2 ARG 12 0.635 -3.529 13.615 86 HG3 ARG 12 HG1 ARG 12 1.440 -4.152 12.172 87 HD2 ARG 12 HD2 ARG 12 2.075 -2.023 11.459 88 HD3 ARG 12 HD1 ARG 12 0.897 -1.221 12.498 89 HE ARG 12 HE ARG 12 3.558 -1.964 13.183 90 HH11 ARG 12 HH11 ARG 12 0.338 -1.583 14.519 91 HH12 ARG 12 HH12 ARG 12 0.906 -1.321 16.133 92 HH21 ARG 12 HH21 ARG 12 4.296 -1.625 15.315 93 HH22 ARG 12 HH22 ARG 12 3.150 -1.344 16.585 94 H LYS 13 HN LYS 13 -2.474 -4.011 9.711 95 HA LYS 13 HA LYS 13 -4.924 -3.112 10.901 96 HB2 LYS 13 HB2 LYS 13 -3.660 -2.978 8.310 97 HB3 LYS 13 HB1 LYS 13 -5.348 -3.449 8.149 98 HG2 LYS 13 HG2 LYS 13 -6.037 -1.486 9.405 99 HG3 LYS 13 HG1 LYS 13 -4.348 -1.021 9.624 100 HD2 LYS 13 HD2 LYS 13 -4.071 -0.698 7.257 101 HD3 LYS 13 HD1 LYS 13 -5.687 -1.333 6.940 102 HE2 LYS 13 HE2 LYS 13 -5.031 1.183 8.468 103 HE3 LYS 13 HE1 LYS 13 -5.658 1.104 6.822 104 HZ1 LYS 13 HZ1 LYS 13 -7.035 0.531 9.359 105 HZ2 LYS 13 HZ2 LYS 13 -7.560 -0.226 7.941 106 HZ3 LYS 13 HZ3 LYS 13 -7.554 1.461 8.044 107 H LYS 14 HN LYS 14 -4.022 -5.891 8.884 108 HA LYS 14 HA LYS 14 -6.525 -7.060 8.614 109 HB2 LYS 14 HB2 LYS 14 -4.592 -7.738 7.302 110 HB3 LYS 14 HB1 LYS 14 -3.806 -8.366 8.739 111 HG2 LYS 14 HG2 LYS 14 -4.587 -10.269 7.696 112 HG3 LYS 14 HG1 LYS 14 -5.836 -9.947 8.896 113 HD2 LYS 14 HD2 LYS 14 -6.020 -9.033 6.028 114 HD3 LYS 14 HD1 LYS 14 -6.652 -10.580 6.588 115 HE2 LYS 14 HE2 LYS 14 -7.513 -7.831 7.481 116 HE3 LYS 14 HE1 LYS 14 -8.437 -8.969 6.505 117 HZ1 LYS 14 HZ1 LYS 14 -7.653 -9.667 9.247 118 H LYS 15 HN LYS 15 -4.188 -7.460 11.273 119 HA LYS 15 HA LYS 15 -5.480 -9.612 12.528 120 HB2 LYS 15 HB2 LYS 15 -3.166 -8.812 13.052 121 HB3 LYS 15 HB1 LYS 15 -3.884 -7.461 13.919 122 HG2 LYS 15 HG2 LYS 15 -5.044 -9.103 15.390 123 HG3 LYS 15 HG1 LYS 15 -4.142 -10.386 14.583 124 HD2 LYS 15 HD2 LYS 15 -3.021 -9.814 16.633 125 HD3 LYS 15 HD1 LYS 15 -2.035 -9.273 15.274 126 HE2 LYS 15 HE2 LYS 15 -2.078 -7.571 16.998 127 HE3 LYS 15 HE1 LYS 15 -2.921 -6.995 15.562 128 HZ1 LYS 15 HZ1 LYS 15 -4.840 -6.833 16.671 129 HZ2 LYS 15 HZ2 LYS 15 -3.900 -6.911 18.075 130 HZ3 LYS 15 HZ3 LYS 15 -4.636 -8.310 17.474 131 H ASN 16 HN ASN 16 -5.807 -6.117 13.130 132 HA ASN 16 HA ASN 16 -7.812 -6.532 15.140 133 HB2 ASN 16 HB2 ASN 16 -8.029 -4.063 15.141 134 HB3 ASN 16 HB1 ASN 16 -6.373 -4.616 15.352 135 HD21 ASN 16 HD21 ASN 16 -4.906 -3.602 14.200 136 HD22 ASN 16 HD22 ASN 16 -5.182 -2.741 12.729 137 H GLN 17 HN GLN 17 -7.900 -5.601 11.728 138 HA GLN 17 HA GLN 17 -10.598 -4.848 11.614 139 HB2 GLN 17 HB2 GLN 17 -8.460 -5.236 9.770 140 HB3 GLN 17 HB1 GLN 17 -9.880 -6.052 9.138 141 HG2 GLN 17 HG2 GLN 17 -9.764 -3.172 10.006 142 HG3 GLN 17 HG1 GLN 17 -9.686 -3.745 8.341 143 HE21 GLN 17 HE21 GLN 17 -11.678 -2.389 10.514 144 HE22 GLN 17 HE22 GLN 17 -13.202 -2.971 9.944 145 H ASP 18 HN ASP 18 -9.135 -7.987 10.760 146 HA ASP 18 HA ASP 18 -11.723 -9.219 10.447 147 HB2 ASP 18 HB2 ASP 18 -9.029 -10.585 10.565 148 HB3 ASP 18 HB1 ASP 18 -10.519 -11.218 9.870 149 HN1 NH2 19 HN1 NH2 19 -9.022 -9.606 12.734 150 HN2 NH2 19 HN2 NH2 19 -9.965 -10.328 13.990 Start of MODEL 11 1 H1 PHE 1 HN PHE 1 12.970 -8.438 0.041 2 HA PHE 1 HA PHE 1 14.203 -7.390 -2.401 3 HB2 PHE 1 HB2 PHE 1 11.721 -9.111 -2.278 4 HB3 PHE 1 HB1 PHE 1 12.102 -8.096 -3.660 5 HD1 PHE 1 HD1 PHE 1 14.292 -10.301 -1.570 6 HD2 PHE 1 HD2 PHE 1 12.634 -9.474 -5.404 7 HE1 PHE 1 HE1 PHE 1 15.651 -12.104 -2.546 8 HE2 PHE 1 HE2 PHE 1 13.990 -11.277 -6.382 9 HZ PHE 1 HZ PHE 1 15.500 -12.594 -4.953 10 H GLY 2 HN GLY 2 11.707 -6.413 -3.499 11 HA2 GLY 2 HA2 GLY 2 11.534 -3.927 -2.241 12 HA3 GLY 2 HA1 GLY 2 10.383 -4.553 -3.410 13 H GLY 3 HN GLY 3 10.415 -3.121 -0.617 14 HA2 GLY 3 HA2 GLY 3 8.935 -4.778 1.145 15 HA3 GLY 3 HA1 GLY 3 9.084 -3.032 1.244 16 H PHE 4 HN PHE 4 7.993 -2.758 -1.540 17 HA PHE 4 HA PHE 4 5.412 -2.064 -1.025 18 HB2 PHE 4 HB2 PHE 4 6.466 -3.139 -3.648 19 HB3 PHE 4 HB1 PHE 4 4.974 -2.231 -3.454 20 HD1 PHE 4 HD2 PHE 4 5.408 0.066 -2.048 21 HD2 PHE 4 HD1 PHE 4 8.224 -1.965 -4.509 22 HE1 PHE 4 HE2 PHE 4 6.644 2.170 -2.363 23 HE2 PHE 4 HE1 PHE 4 9.465 0.135 -4.828 24 HZ PHE 4 HZ PHE 4 8.676 2.206 -3.755 25 H THR 5 HN THR 5 3.382 -2.929 -1.286 26 HA THR 5 HA THR 5 1.739 -4.449 -1.007 27 HB THR 5 HB THR 5 1.597 -6.279 -2.561 28 HG1 THR 5 HG1 THR 5 4.288 -5.827 -3.355 29 HG21 THR 5 HG21 THR 5 3.020 -3.973 -3.895 30 HG22 THR 5 HG22 THR 5 1.312 -3.994 -3.450 31 HG23 THR 5 HG23 THR 5 1.923 -5.120 -4.663 32 H GLY 6 HN GLY 6 3.359 -4.551 1.160 33 HA2 GLY 6 HA2 GLY 6 4.307 -7.210 1.703 34 HA3 GLY 6 HA1 GLY 6 4.124 -5.911 2.873 35 H LYS 7 HN LYS 7 3.028 -8.929 2.060 36 HA LYS 7 HA LYS 7 0.246 -8.653 2.646 37 HB2 LYS 7 HB2 LYS 7 0.880 -10.513 1.297 38 HB3 LYS 7 HB1 LYS 7 2.053 -11.061 2.488 39 HG2 LYS 7 HG2 LYS 7 0.071 -12.468 2.506 40 HG3 LYS 7 HG1 LYS 7 0.244 -11.606 4.036 41 HD2 LYS 7 HD2 LYS 7 -1.317 -9.851 2.873 42 HD3 LYS 7 HD1 LYS 7 -1.752 -11.219 1.848 43 HE2 LYS 7 HE2 LYS 7 -3.315 -11.122 3.656 44 HE3 LYS 7 HE1 LYS 7 -2.266 -12.515 3.913 45 HZ1 LYS 7 HZ1 LYS 7 -1.020 -11.005 5.506 46 H ARG 8 HN ARG 8 2.940 -10.049 4.518 47 HA ARG 8 HA ARG 8 1.485 -10.656 6.819 48 HB2 ARG 8 HB2 ARG 8 4.367 -9.765 6.849 49 HB3 ARG 8 HB1 ARG 8 3.565 -10.866 7.961 50 HG2 ARG 8 HG2 ARG 8 3.240 -12.414 5.988 51 HG3 ARG 8 HG1 ARG 8 4.344 -11.362 5.103 52 HD2 ARG 8 HD2 ARG 8 5.721 -13.053 5.942 53 HD3 ARG 8 HD1 ARG 8 5.953 -11.711 7.062 54 HE ARG 8 HE ARG 8 5.174 -13.068 8.708 55 HH11 ARG 8 HH11 ARG 8 3.880 -14.240 5.669 56 HH12 ARG 8 HH12 ARG 8 3.018 -15.549 6.398 57 HH21 ARG 8 HH21 ARG 8 4.040 -14.808 9.662 58 HH22 ARG 8 HH22 ARG 8 3.110 -15.874 8.662 59 H LYS 9 HN LYS 9 3.085 -7.670 5.862 60 HA LYS 9 HA LYS 9 2.771 -6.261 8.283 61 HB2 LYS 9 HB2 LYS 9 2.989 -5.261 5.438 62 HB3 LYS 9 HB1 LYS 9 3.104 -4.237 6.862 63 HG2 LYS 9 HG2 LYS 9 5.173 -5.048 7.449 64 HG3 LYS 9 HG1 LYS 9 4.935 -6.574 6.595 65 HD2 LYS 9 HD2 LYS 9 6.570 -5.138 5.458 66 HD3 LYS 9 HD1 LYS 9 5.149 -5.438 4.457 67 HE2 LYS 9 HE2 LYS 9 4.249 -3.249 5.072 68 HE3 LYS 9 HE1 LYS 9 5.658 -2.950 6.090 69 HZ1 LYS 9 HZ1 LYS 9 6.310 -1.905 4.198 70 HZ2 LYS 9 HZ2 LYS 9 5.430 -2.924 3.174 71 HZ3 LYS 9 HZ3 LYS 9 6.895 -3.454 3.835 72 H SER 10 HN SER 10 0.840 -6.154 5.284 73 HA SER 10 HA SER 10 -1.116 -4.380 6.188 74 HB2 SER 10 HB2 SER 10 -1.397 -6.588 4.135 75 HB3 SER 10 HB1 SER 10 -2.519 -5.243 4.346 76 HG SER 10 HG SER 10 -0.885 -3.829 3.734 77 H ASP 11 HN ASP 11 -1.080 -7.935 6.288 78 HA ASP 11 HA ASP 11 -3.646 -8.240 7.387 79 HB2 ASP 11 HB2 ASP 11 -1.218 -10.021 7.395 80 HB3 ASP 11 HB1 ASP 11 -2.723 -10.501 8.174 81 H ARG 12 HN ARG 12 -0.496 -7.772 8.941 82 HA ARG 12 HA ARG 12 -1.209 -8.310 11.574 83 HB2 ARG 12 HB2 ARG 12 0.820 -6.456 10.370 84 HB3 ARG 12 HB1 ARG 12 0.577 -6.491 12.108 85 HG2 ARG 12 HG2 ARG 12 1.289 -8.896 10.448 86 HG3 ARG 12 HG1 ARG 12 2.455 -7.894 11.311 87 HD2 ARG 12 HD2 ARG 12 2.022 -9.749 12.712 88 HD3 ARG 12 HD1 ARG 12 1.139 -8.395 13.411 89 HE ARG 12 HE ARG 12 -0.771 -9.588 13.116 90 HH11 ARG 12 HH11 ARG 12 1.602 -10.818 10.849 91 HH12 ARG 12 HH12 ARG 12 0.548 -12.037 10.221 92 HH21 ARG 12 HH21 ARG 12 -2.149 -11.196 12.284 93 HH22 ARG 12 HH22 ARG 12 -1.582 -12.253 11.035 94 H LYS 13 HN LYS 13 -1.412 -5.223 9.818 95 HA LYS 13 HA LYS 13 -2.667 -3.920 12.068 96 HB2 LYS 13 HB2 LYS 13 -2.131 -2.971 9.253 97 HB3 LYS 13 HB1 LYS 13 -2.881 -1.978 10.493 98 HG2 LYS 13 HG2 LYS 13 -0.613 -1.356 10.442 99 HG3 LYS 13 HG1 LYS 13 -0.807 -2.352 11.884 100 HD2 LYS 13 HD2 LYS 13 0.125 -4.272 10.696 101 HD3 LYS 13 HD1 LYS 13 0.273 -3.304 9.231 102 HE2 LYS 13 HE2 LYS 13 2.418 -3.472 10.341 103 HE3 LYS 13 HE1 LYS 13 1.838 -1.810 10.392 104 HZ1 LYS 13 HZ1 LYS 13 1.087 -2.206 12.675 105 HZ2 LYS 13 HZ2 LYS 13 2.753 -2.447 12.514 106 HZ3 LYS 13 HZ3 LYS 13 1.712 -3.777 12.616 107 H LYS 14 HN LYS 14 -3.732 -5.029 8.864 108 HA LYS 14 HA LYS 14 -6.366 -4.044 9.013 109 HB2 LYS 14 HB2 LYS 14 -5.063 -4.915 6.976 110 HB3 LYS 14 HB1 LYS 14 -5.570 -6.514 7.486 111 HG2 LYS 14 HG2 LYS 14 -7.389 -4.240 6.714 112 HG3 LYS 14 HG1 LYS 14 -7.005 -5.648 5.729 113 HD2 LYS 14 HD2 LYS 14 -8.789 -6.641 6.618 114 HD3 LYS 14 HD1 LYS 14 -7.912 -6.703 8.146 115 HE2 LYS 14 HE2 LYS 14 -8.811 -4.207 8.320 116 HE3 LYS 14 HE1 LYS 14 -10.054 -4.849 7.248 117 HZ1 LYS 14 HZ1 LYS 14 -9.748 -6.618 9.388 118 H LYS 15 HN LYS 15 -5.298 -7.435 9.367 119 HA LYS 15 HA LYS 15 -7.705 -8.536 10.118 120 HB2 LYS 15 HB2 LYS 15 -5.370 -9.606 9.605 121 HB3 LYS 15 HB1 LYS 15 -5.165 -9.538 11.347 122 HG2 LYS 15 HG2 LYS 15 -7.465 -10.902 9.965 123 HG3 LYS 15 HG1 LYS 15 -5.993 -11.716 10.488 124 HD2 LYS 15 HD2 LYS 15 -7.923 -10.250 12.289 125 HD3 LYS 15 HD1 LYS 15 -7.832 -11.999 12.090 126 HE2 LYS 15 HE2 LYS 15 -5.518 -11.956 12.914 127 HE3 LYS 15 HE1 LYS 15 -5.644 -10.215 13.149 128 HZ1 LYS 15 HZ1 LYS 15 -7.421 -12.181 14.482 129 HZ2 LYS 15 HZ2 LYS 15 -7.290 -10.527 14.813 130 HZ3 LYS 15 HZ3 LYS 15 -6.009 -11.567 15.185 131 H ASN 16 HN ASN 16 -5.177 -7.254 12.260 132 HA ASN 16 HA ASN 16 -6.631 -7.769 14.652 133 HB2 ASN 16 HB2 ASN 16 -4.281 -5.958 14.098 134 HB3 ASN 16 HB1 ASN 16 -4.969 -6.179 15.702 135 HD21 ASN 16 HD21 ASN 16 -4.009 -7.638 16.906 136 HD22 ASN 16 HD22 ASN 16 -3.126 -9.011 16.340 137 H GLN 17 HN GLN 17 -6.354 -4.923 12.571 138 HA GLN 17 HA GLN 17 -7.572 -3.021 14.188 139 HB2 GLN 17 HB2 GLN 17 -6.456 -2.508 12.055 140 HB3 GLN 17 HB1 GLN 17 -7.769 -3.284 11.182 141 HG2 GLN 17 HG2 GLN 17 -7.967 -0.859 11.143 142 HG3 GLN 17 HG1 GLN 17 -9.328 -1.603 11.982 143 HE21 GLN 17 HE21 GLN 17 -9.918 -0.549 13.734 144 HE22 GLN 17 HE22 GLN 17 -8.882 0.349 14.786 145 H ASP 18 HN ASP 18 -9.126 -5.196 11.831 146 HA ASP 18 HA ASP 18 -11.767 -4.290 12.486 147 HB2 ASP 18 HB2 ASP 18 -11.054 -6.846 11.036 148 HB3 ASP 18 HB1 ASP 18 -12.550 -5.923 10.922 149 HN1 NH2 19 HN1 NH2 19 -10.060 -7.374 13.017 150 HN2 NH2 19 HN2 NH2 19 -10.985 -7.845 14.397 Start of MODEL 12 1 H1 PHE 1 HN PHE 1 3.585 -7.982 -8.590 2 HA PHE 1 HA PHE 1 1.736 -8.798 -7.398 3 HB2 PHE 1 HB2 PHE 1 3.665 -9.106 -5.086 4 HB3 PHE 1 HB1 PHE 1 1.962 -9.535 -5.053 5 HD1 PHE 1 HD1 PHE 1 4.936 -10.228 -7.220 6 HD2 PHE 1 HD2 PHE 1 1.494 -11.761 -5.237 7 HE1 PHE 1 HE1 PHE 1 5.486 -12.487 -8.021 8 HE2 PHE 1 HE2 PHE 1 2.041 -14.023 -6.034 9 HZ PHE 1 HZ PHE 1 4.040 -14.389 -7.426 10 H GLY 2 HN GLY 2 0.221 -7.589 -6.288 11 HA2 GLY 2 HA2 GLY 2 0.581 -4.839 -6.084 12 HA3 GLY 2 HA1 GLY 2 -0.724 -5.735 -5.327 13 H GLY 3 HN GLY 3 1.148 -7.332 -3.679 14 HA2 GLY 3 HA2 GLY 3 1.184 -5.724 -1.371 15 HA3 GLY 3 HA1 GLY 3 1.998 -7.269 -1.556 16 H PHE 4 HN PHE 4 4.137 -7.236 -1.345 17 HA PHE 4 HA PHE 4 6.303 -6.559 -1.329 18 HB2 PHE 4 HB2 PHE 4 5.216 -4.545 -3.281 19 HB3 PHE 4 HB1 PHE 4 6.886 -4.469 -2.736 20 HD1 PHE 4 HD1 PHE 4 4.726 -7.389 -3.619 21 HD2 PHE 4 HD2 PHE 4 8.211 -5.106 -4.495 22 HE1 PHE 4 HE1 PHE 4 5.375 -9.037 -5.327 23 HE2 PHE 4 HE2 PHE 4 8.861 -6.749 -6.204 24 HZ PHE 4 HZ PHE 4 7.442 -8.716 -6.623 25 H THR 5 HN THR 5 7.754 -4.879 -0.467 26 HA THR 5 HA THR 5 8.350 -3.234 0.995 27 HB THR 5 HB THR 5 5.450 -2.364 0.920 28 HG1 THR 5 HG1 THR 5 6.182 -1.873 -1.056 29 HG21 THR 5 HG21 THR 5 7.910 -1.184 2.173 30 HG22 THR 5 HG22 THR 5 6.316 -1.444 2.886 31 HG23 THR 5 HG23 THR 5 6.552 -0.168 1.692 32 H GLY 6 HN GLY 6 8.722 -3.375 3.134 33 HA2 GLY 6 HA2 GLY 6 7.385 -5.420 4.633 34 HA3 GLY 6 HA1 GLY 6 8.691 -4.393 5.203 35 H LYS 7 HN LYS 7 5.277 -3.946 4.211 36 HA LYS 7 HA LYS 7 4.899 -1.863 6.150 37 HB2 LYS 7 HB2 LYS 7 2.776 -1.534 5.207 38 HB3 LYS 7 HB1 LYS 7 3.770 -2.045 3.856 39 HG2 LYS 7 HG2 LYS 7 1.703 -3.661 5.329 40 HG3 LYS 7 HG1 LYS 7 1.660 -3.109 3.662 41 HD2 LYS 7 HD2 LYS 7 3.362 -4.629 3.017 42 HD3 LYS 7 HD1 LYS 7 3.750 -5.010 4.697 43 HE2 LYS 7 HE2 LYS 7 1.146 -5.645 3.312 44 HE3 LYS 7 HE1 LYS 7 2.445 -6.795 3.625 45 HZ1 LYS 7 HZ1 LYS 7 0.463 -5.919 5.469 46 H ARG 8 HN ARG 8 5.738 -3.705 7.743 47 HA ARG 8 HA ARG 8 4.103 -5.714 8.705 48 HB2 ARG 8 HB2 ARG 8 5.918 -3.966 10.381 49 HB3 ARG 8 HB1 ARG 8 5.352 -5.581 10.789 50 HG2 ARG 8 HG2 ARG 8 7.194 -4.847 8.523 51 HG3 ARG 8 HG1 ARG 8 7.633 -5.677 10.017 52 HD2 ARG 8 HD2 ARG 8 6.335 -7.593 9.414 53 HD3 ARG 8 HD1 ARG 8 5.632 -6.750 8.035 54 HE ARG 8 HE ARG 8 8.416 -6.800 7.728 55 HH11 ARG 8 HH11 ARG 8 5.705 -9.019 7.712 56 HH12 ARG 8 HH12 ARG 8 6.461 -10.125 6.616 57 HH21 ARG 8 HH21 ARG 8 9.406 -8.263 6.288 58 HH22 ARG 8 HH22 ARG 8 8.563 -9.698 5.809 59 H LYS 9 HN LYS 9 4.033 -2.276 9.398 60 HA LYS 9 HA LYS 9 2.218 -2.341 11.543 61 HB2 LYS 9 HB2 LYS 9 2.617 -0.185 9.457 62 HB3 LYS 9 HB1 LYS 9 1.760 0.024 10.979 63 HG2 LYS 9 HG2 LYS 9 3.844 -0.504 12.191 64 HG3 LYS 9 HG1 LYS 9 4.684 -0.623 10.643 65 HD2 LYS 9 HD2 LYS 9 4.130 1.713 10.166 66 HD3 LYS 9 HD1 LYS 9 3.287 1.827 11.711 67 HE2 LYS 9 HE2 LYS 9 5.401 1.309 12.870 68 HE3 LYS 9 HE1 LYS 9 6.226 1.277 11.314 69 HZ1 LYS 9 HZ1 LYS 9 6.438 3.404 12.543 70 HZ2 LYS 9 HZ2 LYS 9 4.773 3.645 12.362 71 HZ3 LYS 9 HZ3 LYS 9 5.773 3.579 10.999 72 H SER 10 HN SER 10 1.651 -1.860 8.059 73 HA SER 10 HA SER 10 -1.176 -1.837 8.255 74 HB2 SER 10 HB2 SER 10 -0.040 -0.859 6.329 75 HB3 SER 10 HB1 SER 10 0.602 -2.437 5.882 76 HG SER 10 HG SER 10 -1.172 -2.694 4.805 77 H ASP 11 HN ASP 11 1.182 -4.412 7.727 78 HA ASP 11 HA ASP 11 -0.587 -6.449 6.949 79 HB2 ASP 11 HB2 ASP 11 2.045 -6.643 8.426 80 HB3 ASP 11 HB1 ASP 11 1.189 -8.017 7.744 81 H ARG 12 HN ARG 12 0.610 -5.552 10.179 82 HA ARG 12 HA ARG 12 -0.756 -7.617 11.537 83 HB2 ARG 12 HB2 ARG 12 -0.243 -6.386 13.596 84 HB3 ARG 12 HB1 ARG 12 1.156 -6.542 12.548 85 HG2 ARG 12 HG2 ARG 12 0.648 -4.204 11.741 86 HG3 ARG 12 HG1 ARG 12 -0.501 -4.097 13.075 87 HD2 ARG 12 HD2 ARG 12 2.460 -4.620 13.278 88 HD3 ARG 12 HD1 ARG 12 1.624 -3.136 13.725 89 HE ARG 12 HE ARG 12 0.453 -5.120 15.227 90 HH11 ARG 12 HH11 ARG 12 3.690 -3.841 14.846 91 HH12 ARG 12 HH12 ARG 12 4.158 -4.205 16.472 92 HH21 ARG 12 HH21 ARG 12 1.074 -5.598 17.371 93 HH22 ARG 12 HH22 ARG 12 2.672 -5.202 17.908 94 H LYS 13 HN LYS 13 -1.712 -4.294 10.759 95 HA LYS 13 HA LYS 13 -4.112 -4.364 12.304 96 HB2 LYS 13 HB2 LYS 13 -3.043 -2.554 10.176 97 HB3 LYS 13 HB1 LYS 13 -4.747 -2.459 10.592 98 HG2 LYS 13 HG2 LYS 13 -3.600 -0.807 11.850 99 HG3 LYS 13 HG1 LYS 13 -4.073 -2.088 12.967 100 HD2 LYS 13 HD2 LYS 13 -1.786 -3.025 12.781 101 HD3 LYS 13 HD1 LYS 13 -1.346 -1.654 11.763 102 HE2 LYS 13 HE2 LYS 13 -1.928 -0.130 13.608 103 HE3 LYS 13 HE1 LYS 13 -2.285 -1.525 14.623 104 HZ1 LYS 13 HZ1 LYS 13 0.359 -1.281 13.344 105 HZ2 LYS 13 HZ2 LYS 13 -0.072 -2.101 14.760 106 HZ3 LYS 13 HZ3 LYS 13 0.027 -0.413 14.759 107 H LYS 14 HN LYS 14 -3.302 -5.136 8.974 108 HA LYS 14 HA LYS 14 -5.961 -5.472 8.053 109 HB2 LYS 14 HB2 LYS 14 -4.313 -5.003 6.425 110 HB3 LYS 14 HB1 LYS 14 -3.269 -6.298 6.989 111 HG2 LYS 14 HG2 LYS 14 -4.070 -7.330 5.157 112 HG3 LYS 14 HG1 LYS 14 -5.378 -7.756 6.251 113 HD2 LYS 14 HD2 LYS 14 -5.339 -5.488 4.262 114 HD3 LYS 14 HD1 LYS 14 -6.295 -6.964 4.161 115 HE2 LYS 14 HE2 LYS 14 -6.626 -5.241 6.556 116 HE3 LYS 14 HE1 LYS 14 -7.296 -4.673 5.038 117 HZ1 LYS 14 HZ1 LYS 14 -9.044 -5.924 5.901 118 H LYS 15 HN LYS 15 -3.519 -7.850 9.121 119 HA LYS 15 HA LYS 15 -4.920 -10.141 8.452 120 HB2 LYS 15 HB2 LYS 15 -3.549 -11.336 10.087 121 HB3 LYS 15 HB1 LYS 15 -2.590 -10.225 9.128 122 HG2 LYS 15 HG2 LYS 15 -1.729 -9.883 11.222 123 HG3 LYS 15 HG1 LYS 15 -2.944 -8.611 11.142 124 HD2 LYS 15 HD2 LYS 15 -3.012 -9.765 13.295 125 HD3 LYS 15 HD1 LYS 15 -4.505 -10.016 12.400 126 HE2 LYS 15 HE2 LYS 15 -3.793 -12.085 13.432 127 HE3 LYS 15 HE1 LYS 15 -3.691 -12.217 11.678 128 HZ1 LYS 15 HZ1 LYS 15 -1.374 -11.589 13.427 129 HZ2 LYS 15 HZ2 LYS 15 -1.337 -11.945 11.773 130 HZ3 LYS 15 HZ3 LYS 15 -1.755 -13.147 12.887 131 H ASN 16 HN ASN 16 -5.260 -8.157 11.347 132 HA ASN 16 HA ASN 16 -7.103 -10.036 12.541 133 HB2 ASN 16 HB2 ASN 16 -7.365 -8.323 14.322 134 HB3 ASN 16 HB1 ASN 16 -5.697 -8.806 14.048 135 HD21 ASN 16 HD21 ASN 16 -4.276 -7.232 13.939 136 HD22 ASN 16 HD22 ASN 16 -4.613 -5.585 13.550 137 H GLN 17 HN GLN 17 -7.339 -6.977 10.800 138 HA GLN 17 HA GLN 17 -10.130 -6.642 11.278 139 HB2 GLN 17 HB2 GLN 17 -10.013 -4.755 9.887 140 HB3 GLN 17 HB1 GLN 17 -8.432 -4.839 10.647 141 HG2 GLN 17 HG2 GLN 17 -7.560 -5.925 8.611 142 HG3 GLN 17 HG1 GLN 17 -9.130 -5.675 7.852 143 HE21 GLN 17 HE21 GLN 17 -9.310 -3.904 6.666 144 HE22 GLN 17 HE22 GLN 17 -8.362 -2.469 6.833 145 H ASP 18 HN ASP 18 -8.241 -8.112 8.679 146 HA ASP 18 HA ASP 18 -10.721 -9.293 7.642 147 HB2 ASP 18 HB2 ASP 18 -9.750 -9.064 5.315 148 HB3 ASP 18 HB1 ASP 18 -10.312 -7.579 6.071 149 HN1 NH2 19 HN1 NH2 19 -7.308 -9.677 8.255 150 HN2 NH2 19 HN2 NH2 19 -7.220 -11.339 7.813 Start of MODEL 13 1 H1 PHE 1 HN PHE 1 10.099 -9.406 -5.617 2 HA PHE 1 HA PHE 1 7.800 -8.834 -6.244 3 HB2 PHE 1 HB2 PHE 1 7.323 -9.232 -3.631 4 HB3 PHE 1 HB1 PHE 1 7.427 -7.475 -3.614 5 HD1 PHE 1 HD2 PHE 1 5.914 -10.008 -5.910 6 HD2 PHE 1 HD1 PHE 1 5.359 -6.486 -3.584 7 HE1 PHE 1 HE2 PHE 1 3.576 -9.881 -6.667 8 HE2 PHE 1 HE1 PHE 1 3.020 -6.356 -4.336 9 HZ PHE 1 HZ PHE 1 2.126 -8.053 -5.881 10 H GLY 2 HN GLY 2 6.868 -6.246 -5.676 11 HA2 GLY 2 HA2 GLY 2 8.783 -4.640 -7.031 12 HA3 GLY 2 HA1 GLY 2 7.280 -4.074 -6.314 13 H GLY 3 HN GLY 3 7.295 -3.147 -4.294 14 HA2 GLY 3 HA2 GLY 3 9.843 -2.193 -3.341 15 HA3 GLY 3 HA1 GLY 3 8.266 -1.822 -2.660 16 H PHE 4 HN PHE 4 8.095 -2.480 -0.616 17 HA PHE 4 HA PHE 4 9.820 -4.486 0.475 18 HB2 PHE 4 HB2 PHE 4 7.522 -2.899 1.602 19 HB3 PHE 4 HB1 PHE 4 8.293 -4.182 2.529 20 HD1 PHE 4 HD1 PHE 4 9.661 -1.515 0.300 21 HD2 PHE 4 HD2 PHE 4 9.573 -3.245 4.185 22 HE1 PHE 4 HE1 PHE 4 11.411 0.049 1.029 23 HE2 PHE 4 HE2 PHE 4 11.322 -1.679 4.924 24 HZ PHE 4 HZ PHE 4 12.244 -0.030 3.344 25 H THR 5 HN THR 5 9.538 -6.601 0.485 26 HA THR 5 HA THR 5 7.272 -7.828 -0.691 27 HB THR 5 HB THR 5 8.307 -9.970 -0.021 28 HG1 THR 5 HG1 THR 5 9.533 -9.893 1.698 29 HG21 THR 5 HG21 THR 5 9.917 -9.863 -1.634 30 HG22 THR 5 HG22 THR 5 10.615 -8.376 -0.995 31 HG23 THR 5 HG23 THR 5 9.133 -8.316 -1.950 32 H GLY 6 HN GLY 6 8.340 -7.510 2.688 33 HA2 GLY 6 HA2 GLY 6 6.249 -9.099 3.785 34 HA3 GLY 6 HA1 GLY 6 7.256 -7.963 4.666 35 H LYS 7 HN LYS 7 4.165 -8.644 3.864 36 HA LYS 7 HA LYS 7 3.281 -5.866 3.659 37 HB2 LYS 7 HB2 LYS 7 0.986 -6.989 3.354 38 HB3 LYS 7 HB1 LYS 7 2.161 -7.138 2.062 39 HG2 LYS 7 HG2 LYS 7 1.213 -9.253 2.223 40 HG3 LYS 7 HG1 LYS 7 2.738 -9.414 3.087 41 HD2 LYS 7 HD2 LYS 7 0.268 -8.697 4.602 42 HD3 LYS 7 HD1 LYS 7 0.504 -10.365 4.086 43 HE2 LYS 7 HE2 LYS 7 2.127 -10.732 5.602 44 HE3 LYS 7 HE1 LYS 7 2.841 -9.135 5.379 45 HZ1 LYS 7 HZ1 LYS 7 1.816 -8.620 7.340 46 H ARG 8 HN ARG 8 4.420 -6.415 6.057 47 HA ARG 8 HA ARG 8 2.951 -7.349 8.173 48 HB2 ARG 8 HB2 ARG 8 5.296 -6.630 8.300 49 HB3 ARG 8 HB1 ARG 8 4.795 -4.958 8.125 50 HG2 ARG 8 HG2 ARG 8 5.054 -5.036 10.373 51 HG3 ARG 8 HG1 ARG 8 3.366 -5.526 10.270 52 HD2 ARG 8 HD2 ARG 8 5.662 -7.475 10.382 53 HD3 ARG 8 HD1 ARG 8 4.815 -6.893 11.810 54 HE ARG 8 HE ARG 8 2.973 -8.171 11.230 55 HH11 ARG 8 HH11 ARG 8 5.436 -8.430 8.744 56 HH12 ARG 8 HH12 ARG 8 4.661 -9.757 7.952 57 HH21 ARG 8 HH21 ARG 8 1.982 -9.929 10.194 58 HH22 ARG 8 HH22 ARG 8 2.704 -10.615 8.778 59 H LYS 9 HN LYS 9 2.865 -4.073 6.808 60 HA LYS 9 HA LYS 9 1.177 -2.903 8.692 61 HB2 LYS 9 HB2 LYS 9 2.419 -1.680 6.907 62 HB3 LYS 9 HB1 LYS 9 1.234 -2.254 5.742 63 HG2 LYS 9 HG2 LYS 9 0.681 -0.012 6.356 64 HG3 LYS 9 HG1 LYS 9 -0.533 -1.092 7.047 65 HD2 LYS 9 HD2 LYS 9 0.680 -1.011 9.205 66 HD3 LYS 9 HD1 LYS 9 1.811 0.143 8.497 67 HE2 LYS 9 HE2 LYS 9 0.188 1.370 9.757 68 HE3 LYS 9 HE1 LYS 9 -0.120 1.653 8.044 69 HZ1 LYS 9 HZ1 LYS 9 -2.099 1.158 9.549 70 HZ2 LYS 9 HZ2 LYS 9 -1.572 -0.448 9.533 71 HZ3 LYS 9 HZ3 LYS 9 -2.005 0.313 8.086 72 H SER 10 HN SER 10 0.325 -4.644 5.723 73 HA SER 10 HA SER 10 -2.469 -4.237 5.930 74 HB2 SER 10 HB2 SER 10 -1.403 -4.828 3.809 75 HB3 SER 10 HB1 SER 10 -0.943 -6.399 4.464 76 HG SER 10 HG SER 10 -3.364 -5.530 3.497 77 H ASP 11 HN ASP 11 -0.355 -6.864 7.033 78 HA ASP 11 HA ASP 11 -2.406 -8.622 7.840 79 HB2 ASP 11 HB2 ASP 11 0.414 -8.410 8.909 80 HB3 ASP 11 HB1 ASP 11 -0.672 -9.777 9.141 81 H ARG 12 HN ARG 12 -0.549 -6.218 9.703 82 HA ARG 12 HA ARG 12 -1.721 -6.721 12.203 83 HB2 ARG 12 HB2 ARG 12 -0.576 -4.178 11.044 84 HB3 ARG 12 HB1 ARG 12 -1.103 -4.318 12.715 85 HG2 ARG 12 HG2 ARG 12 0.557 -6.048 13.112 86 HG3 ARG 12 HG1 ARG 12 1.072 -5.960 11.425 87 HD2 ARG 12 HD2 ARG 12 1.616 -3.559 11.787 88 HD3 ARG 12 HD1 ARG 12 1.245 -3.776 13.496 89 HE ARG 12 HE ARG 12 3.657 -4.454 12.187 90 HH11 ARG 12 HH11 ARG 12 1.531 -5.572 14.739 91 HH12 ARG 12 HH12 ARG 12 2.790 -6.411 15.577 92 HH21 ARG 12 HH21 ARG 12 5.297 -5.556 13.294 93 HH22 ARG 12 HH22 ARG 12 4.928 -6.402 14.758 94 H LYS 13 HN LYS 13 -2.599 -4.364 9.703 95 HA LYS 13 HA LYS 13 -4.756 -3.149 10.937 96 HB2 LYS 13 HB2 LYS 13 -3.679 -2.607 8.678 97 HB3 LYS 13 HB1 LYS 13 -4.711 -3.858 8.004 98 HG2 LYS 13 HG2 LYS 13 -5.805 -1.812 7.609 99 HG3 LYS 13 HG1 LYS 13 -6.673 -2.579 8.939 100 HD2 LYS 13 HD2 LYS 13 -5.547 -1.167 10.546 101 HD3 LYS 13 HD1 LYS 13 -4.533 -0.479 9.277 102 HE2 LYS 13 HE2 LYS 13 -6.316 1.059 9.849 103 HE3 LYS 13 HE1 LYS 13 -6.526 0.465 8.205 104 HZ1 LYS 13 HZ1 LYS 13 -7.898 -1.008 10.314 105 HZ2 LYS 13 HZ2 LYS 13 -8.409 -0.631 8.746 106 HZ3 LYS 13 HZ3 LYS 13 -8.489 0.538 9.964 107 H LYS 14 HN LYS 14 -4.670 -6.103 8.983 108 HA LYS 14 HA LYS 14 -7.425 -6.679 9.046 109 HB2 LYS 14 HB2 LYS 14 -5.107 -7.841 7.941 110 HB3 LYS 14 HB1 LYS 14 -5.824 -9.083 8.954 111 HG2 LYS 14 HG2 LYS 14 -7.095 -7.647 6.635 112 HG3 LYS 14 HG1 LYS 14 -6.680 -9.357 6.754 113 HD2 LYS 14 HD2 LYS 14 -8.754 -7.914 8.382 114 HD3 LYS 14 HD1 LYS 14 -9.080 -9.012 7.048 115 HE2 LYS 14 HE2 LYS 14 -8.361 -10.881 8.246 116 HE3 LYS 14 HE1 LYS 14 -7.487 -9.911 9.424 117 HZ1 LYS 14 HZ1 LYS 14 -9.765 -10.910 10.115 118 H LYS 15 HN LYS 15 -4.756 -7.793 11.112 119 HA LYS 15 HA LYS 15 -6.190 -9.590 12.682 120 HB2 LYS 15 HB2 LYS 15 -3.750 -7.937 13.308 121 HB3 LYS 15 HB1 LYS 15 -4.390 -9.143 14.415 122 HG2 LYS 15 HG2 LYS 15 -4.077 -10.864 12.686 123 HG3 LYS 15 HG1 LYS 15 -3.384 -9.642 11.622 124 HD2 LYS 15 HD2 LYS 15 -1.579 -9.250 13.196 125 HD3 LYS 15 HD1 LYS 15 -2.295 -10.392 14.334 126 HE2 LYS 15 HE2 LYS 15 -0.507 -11.503 13.204 127 HE3 LYS 15 HE1 LYS 15 -2.024 -12.175 12.612 128 HZ1 LYS 15 HZ1 LYS 15 -1.711 -10.374 10.770 129 HZ2 LYS 15 HZ2 LYS 15 -0.883 -11.846 10.671 130 HZ3 LYS 15 HZ3 LYS 15 -0.083 -10.462 11.225 131 H ASN 16 HN ASN 16 -5.657 -6.119 13.185 132 HA ASN 16 HA ASN 16 -7.009 -6.055 15.689 133 HB2 ASN 16 HB2 ASN 16 -6.362 -3.816 13.768 134 HB3 ASN 16 HB1 ASN 16 -6.987 -3.589 15.399 135 HD21 ASN 16 HD21 ASN 16 -4.275 -3.465 13.642 136 HD22 ASN 16 HD22 ASN 16 -3.102 -3.839 14.853 137 H GLN 17 HN GLN 17 -8.009 -5.151 12.409 138 HA GLN 17 HA GLN 17 -10.576 -4.231 13.063 139 HB2 GLN 17 HB2 GLN 17 -9.388 -3.800 10.930 140 HB3 GLN 17 HB1 GLN 17 -9.662 -5.474 10.469 141 HG2 GLN 17 HG2 GLN 17 -12.069 -5.097 10.499 142 HG3 GLN 17 HG1 GLN 17 -11.804 -3.425 10.991 143 HE21 GLN 17 HE21 GLN 17 -12.446 -5.356 8.420 144 HE22 GLN 17 HE22 GLN 17 -11.872 -4.343 7.144 145 H ASP 18 HN ASP 18 -9.474 -7.451 12.084 146 HA ASP 18 HA ASP 18 -12.045 -8.557 12.998 147 HB2 ASP 18 HB2 ASP 18 -11.590 -10.330 11.118 148 HB3 ASP 18 HB1 ASP 18 -12.326 -8.783 10.707 149 HN1 NH2 19 HN1 NH2 19 -8.589 -9.114 12.534 150 HN2 NH2 19 HN2 NH2 19 -8.479 -10.466 13.598 Start of MODEL 14 1 H1 PHE 1 HN PHE 1 10.305 -9.459 -4.702 2 HA PHE 1 HA PHE 1 11.018 -9.044 -7.530 3 HB2 PHE 1 HB2 PHE 1 8.551 -9.381 -6.883 4 HB3 PHE 1 HB1 PHE 1 8.646 -7.795 -6.134 5 HD1 PHE 1 HD2 PHE 1 10.058 -9.028 -9.372 6 HD2 PHE 1 HD1 PHE 1 7.339 -6.398 -7.416 7 HE1 PHE 1 HE2 PHE 1 9.513 -7.983 -11.536 8 HE2 PHE 1 HE1 PHE 1 6.791 -5.356 -9.572 9 HZ PHE 1 HZ PHE 1 7.876 -6.147 -11.635 10 H GLY 2 HN GLY 2 9.721 -6.190 -6.808 11 HA2 GLY 2 HA2 GLY 2 12.249 -4.904 -6.441 12 HA3 GLY 2 HA1 GLY 2 10.680 -4.119 -6.528 13 H GLY 3 HN GLY 3 10.554 -2.840 -4.789 14 HA2 GLY 3 HA2 GLY 3 11.761 -3.461 -2.278 15 HA3 GLY 3 HA1 GLY 3 10.665 -2.127 -2.602 16 H PHE 4 HN PHE 4 10.866 -4.173 -0.368 17 HA PHE 4 HA PHE 4 8.011 -4.702 -0.216 18 HB2 PHE 4 HB2 PHE 4 8.303 -7.087 0.326 19 HB3 PHE 4 HB1 PHE 4 8.873 -6.730 -1.300 20 HD1 PHE 4 HD1 PHE 4 11.253 -6.752 -1.818 21 HD2 PHE 4 HD2 PHE 4 9.829 -7.783 2.058 22 HE1 PHE 4 HE1 PHE 4 13.438 -7.750 -1.286 23 HE2 PHE 4 HE2 PHE 4 12.013 -8.779 2.598 24 HZ PHE 4 HZ PHE 4 13.822 -8.763 0.925 25 H THR 5 HN THR 5 7.337 -4.127 1.728 26 HA THR 5 HA THR 5 8.135 -4.944 4.187 27 HB THR 5 HB THR 5 10.359 -4.016 3.885 28 HG1 THR 5 HG1 THR 5 9.658 -3.834 5.983 29 HG21 THR 5 HG21 THR 5 9.459 -2.191 2.266 30 HG22 THR 5 HG22 THR 5 10.847 -1.823 3.290 31 HG23 THR 5 HG23 THR 5 9.244 -1.239 3.737 32 H GLY 6 HN GLY 6 7.157 -2.098 2.348 33 HA2 GLY 6 HA2 GLY 6 5.888 -0.625 4.335 34 HA3 GLY 6 HA1 GLY 6 5.452 -0.598 2.634 35 H LYS 7 HN LYS 7 4.488 -3.175 2.269 36 HA LYS 7 HA LYS 7 1.935 -2.973 3.624 37 HB2 LYS 7 HB2 LYS 7 2.042 -3.424 1.199 38 HB3 LYS 7 HB1 LYS 7 2.885 -4.932 1.519 39 HG2 LYS 7 HG2 LYS 7 0.536 -5.029 3.052 40 HG3 LYS 7 HG1 LYS 7 0.070 -4.394 1.473 41 HD2 LYS 7 HD2 LYS 7 0.744 -6.296 0.357 42 HD3 LYS 7 HD1 LYS 7 1.878 -6.768 1.624 43 HE2 LYS 7 HE2 LYS 7 -1.134 -6.890 1.774 44 HE3 LYS 7 HE1 LYS 7 -0.038 -8.260 1.595 45 HZ1 LYS 7 HZ1 LYS 7 0.874 -7.413 3.849 46 H ARG 8 HN ARG 8 4.134 -3.691 5.344 47 HA ARG 8 HA ARG 8 3.698 -6.524 5.930 48 HB2 ARG 8 HB2 ARG 8 6.024 -5.672 5.880 49 HB3 ARG 8 HB1 ARG 8 5.628 -4.543 7.166 50 HG2 ARG 8 HG2 ARG 8 6.842 -6.483 7.996 51 HG3 ARG 8 HG1 ARG 8 5.226 -6.378 8.693 52 HD2 ARG 8 HD2 ARG 8 4.427 -8.158 7.403 53 HD3 ARG 8 HD1 ARG 8 5.767 -8.054 6.262 54 HE ARG 8 HE ARG 8 5.696 -9.546 8.683 55 HH11 ARG 8 HH11 ARG 8 7.843 -7.770 6.555 56 HH12 ARG 8 HH12 ARG 8 9.267 -8.580 7.115 57 HH21 ARG 8 HH21 ARG 8 7.581 -10.593 9.429 58 HH22 ARG 8 HH22 ARG 8 9.119 -10.179 8.747 59 H LYS 9 HN LYS 9 3.948 -3.529 7.832 60 HA LYS 9 HA LYS 9 2.491 -4.490 10.044 61 HB2 LYS 9 HB2 LYS 9 2.414 -2.158 10.783 62 HB3 LYS 9 HB1 LYS 9 4.019 -2.583 10.211 63 HG2 LYS 9 HG2 LYS 9 3.739 -0.508 9.274 64 HG3 LYS 9 HG1 LYS 9 3.196 -1.553 7.963 65 HD2 LYS 9 HD2 LYS 9 1.672 0.324 8.249 66 HD3 LYS 9 HD1 LYS 9 0.864 -1.188 8.644 67 HE2 LYS 9 HE2 LYS 9 0.314 0.580 10.241 68 HE3 LYS 9 HE1 LYS 9 1.161 -0.754 11.018 69 HZ1 LYS 9 HZ1 LYS 9 1.917 1.519 11.671 70 HZ2 LYS 9 HZ2 LYS 9 2.520 1.720 10.103 71 HZ3 LYS 9 HZ3 LYS 9 3.149 0.507 11.104 72 H SER 10 HN SER 10 1.532 -2.851 7.089 73 HA SER 10 HA SER 10 -1.063 -2.096 7.772 74 HB2 SER 10 HB2 SER 10 0.047 -2.954 5.089 75 HB3 SER 10 HB1 SER 10 -1.513 -2.164 5.318 76 HG SER 10 HG SER 10 0.267 -0.737 4.772 77 H ASP 11 HN ASP 11 0.101 -5.140 6.342 78 HA ASP 11 HA ASP 11 -2.471 -6.331 6.193 79 HB2 ASP 11 HB2 ASP 11 0.325 -7.332 5.904 80 HB3 ASP 11 HB1 ASP 11 -0.968 -8.504 6.119 81 H ARG 12 HN ARG 12 0.223 -6.846 8.478 82 HA ARG 12 HA ARG 12 -0.993 -8.737 10.094 83 HB2 ARG 12 HB2 ARG 12 0.907 -6.558 10.965 84 HB3 ARG 12 HB1 ARG 12 0.534 -8.013 11.877 85 HG2 ARG 12 HG2 ARG 12 1.903 -7.900 9.195 86 HG3 ARG 12 HG1 ARG 12 2.671 -8.222 10.749 87 HD2 ARG 12 HD2 ARG 12 2.400 -10.347 9.856 88 HD3 ARG 12 HD1 ARG 12 0.997 -10.182 10.909 89 HE ARG 12 HE ARG 12 0.302 -9.331 8.325 90 HH11 ARG 12 HH11 ARG 12 1.095 -12.271 10.045 91 HH12 ARG 12 HH12 ARG 12 0.172 -13.284 8.986 92 HH21 ARG 12 HH21 ARG 12 -0.907 -10.661 6.931 93 HH22 ARG 12 HH22 ARG 12 -0.968 -12.369 7.214 94 H LYS 13 HN LYS 13 -1.335 -5.237 10.161 95 HA LYS 13 HA LYS 13 -2.912 -5.256 12.567 96 HB2 LYS 13 HB2 LYS 13 -2.333 -3.080 10.555 97 HB3 LYS 13 HB1 LYS 13 -3.292 -2.836 12.006 98 HG2 LYS 13 HG2 LYS 13 -0.489 -3.894 12.151 99 HG3 LYS 13 HG1 LYS 13 -0.825 -2.166 12.060 100 HD2 LYS 13 HD2 LYS 13 -1.951 -4.023 14.158 101 HD3 LYS 13 HD1 LYS 13 -0.531 -2.997 14.381 102 HE2 LYS 13 HE2 LYS 13 -1.900 -1.014 13.942 103 HE3 LYS 13 HE1 LYS 13 -3.318 -2.038 13.728 104 HZ1 LYS 13 HZ1 LYS 13 -1.744 -1.766 16.236 105 HZ2 LYS 13 HZ2 LYS 13 -3.111 -2.742 16.033 106 HZ3 LYS 13 HZ3 LYS 13 -3.254 -1.061 15.934 107 H LYS 14 HN LYS 14 -3.589 -4.827 9.105 108 HA LYS 14 HA LYS 14 -6.383 -4.417 9.502 109 HB2 LYS 14 HB2 LYS 14 -5.173 -3.462 7.584 110 HB3 LYS 14 HB1 LYS 14 -4.907 -5.084 6.958 111 HG2 LYS 14 HG2 LYS 14 -6.748 -4.030 5.804 112 HG3 LYS 14 HG1 LYS 14 -7.325 -5.398 6.757 113 HD2 LYS 14 HD2 LYS 14 -7.739 -3.570 8.587 114 HD3 LYS 14 HD1 LYS 14 -7.715 -2.469 7.207 115 HE2 LYS 14 HE2 LYS 14 -9.992 -3.172 7.710 116 HE3 LYS 14 HE1 LYS 14 -9.481 -3.778 6.134 117 HZ1 LYS 14 HZ1 LYS 14 -9.066 -5.944 7.292 118 H LYS 15 HN LYS 15 -4.602 -7.160 8.026 119 HA LYS 15 HA LYS 15 -6.821 -8.767 7.552 120 HB2 LYS 15 HB2 LYS 15 -5.348 -10.569 7.180 121 HB3 LYS 15 HB1 LYS 15 -4.452 -9.137 6.717 122 HG2 LYS 15 HG2 LYS 15 -2.850 -10.266 7.885 123 HG3 LYS 15 HG1 LYS 15 -3.544 -9.291 9.178 124 HD2 LYS 15 HD2 LYS 15 -3.449 -11.387 10.154 125 HD3 LYS 15 HD1 LYS 15 -5.101 -11.340 9.545 126 HE2 LYS 15 HE2 LYS 15 -2.751 -12.663 8.185 127 HE3 LYS 15 HE1 LYS 15 -4.022 -13.487 9.083 128 HZ1 LYS 15 HZ1 LYS 15 -5.607 -12.456 7.428 129 HZ2 LYS 15 HZ2 LYS 15 -4.602 -13.681 6.838 130 HZ3 LYS 15 HZ3 LYS 15 -4.247 -12.063 6.498 131 H ASN 16 HN ASN 16 -4.849 -8.483 10.455 132 HA ASN 16 HA ASN 16 -6.154 -10.607 11.843 133 HB2 ASN 16 HB2 ASN 16 -3.857 -9.860 12.377 134 HB3 ASN 16 HB1 ASN 16 -4.506 -8.334 12.967 135 HD21 ASN 16 HD21 ASN 16 -4.909 -8.209 15.062 136 HD22 ASN 16 HD22 ASN 16 -5.125 -9.546 16.133 137 H GLN 17 HN GLN 17 -6.511 -7.062 11.879 138 HA GLN 17 HA GLN 17 -8.393 -6.994 13.984 139 HB2 GLN 17 HB2 GLN 17 -7.059 -5.033 13.225 140 HB3 GLN 17 HB1 GLN 17 -8.061 -4.952 11.782 141 HG2 GLN 17 HG2 GLN 17 -10.020 -4.504 13.122 142 HG3 GLN 17 HG1 GLN 17 -9.085 -4.699 14.602 143 HE21 GLN 17 HE21 GLN 17 -8.659 -2.832 15.532 144 HE22 GLN 17 HE22 GLN 17 -8.323 -1.344 14.723 145 H ASP 18 HN ASP 18 -8.918 -6.771 10.440 146 HA ASP 18 HA ASP 18 -11.749 -6.738 10.635 147 HB2 ASP 18 HB2 ASP 18 -9.973 -7.549 8.322 148 HB3 ASP 18 HB1 ASP 18 -11.719 -7.385 8.212 149 HN1 NH2 19 HN1 NH2 19 -9.520 -9.368 9.744 150 HN2 NH2 19 HN2 NH2 19 -10.602 -10.652 10.152 Start of MODEL 15 1 H1 PHE 1 HN PHE 1 5.583 -9.692 -5.087 2 HA PHE 1 HA PHE 1 7.704 -10.194 -5.748 3 HB2 PHE 1 HB2 PHE 1 6.890 -8.463 -8.090 4 HB3 PHE 1 HB1 PHE 1 8.340 -9.460 -8.052 5 HD1 PHE 1 HD1 PHE 1 4.649 -9.760 -7.551 6 HD2 PHE 1 HD2 PHE 1 8.238 -11.570 -8.952 7 HE1 PHE 1 HE1 PHE 1 3.354 -11.682 -8.376 8 HE2 PHE 1 HE2 PHE 1 6.948 -13.492 -9.781 9 HZ PHE 1 HZ PHE 1 4.503 -13.549 -9.495 10 H GLY 2 HN GLY 2 6.997 -6.734 -6.209 11 HA2 GLY 2 HA2 GLY 2 9.649 -5.804 -6.065 12 HA3 GLY 2 HA1 GLY 2 8.215 -4.852 -5.718 13 H GLY 3 HN GLY 3 10.855 -4.880 -4.390 14 HA2 GLY 3 HA2 GLY 3 10.551 -6.154 -1.842 15 HA3 GLY 3 HA1 GLY 3 11.791 -4.995 -2.285 16 H PHE 4 HN PHE 4 8.227 -4.773 -2.051 17 HA PHE 4 HA PHE 4 8.555 -2.339 -0.446 18 HB2 PHE 4 HB2 PHE 4 6.252 -3.401 -2.086 19 HB3 PHE 4 HB1 PHE 4 6.091 -2.023 -1.007 20 HD1 PHE 4 HD1 PHE 4 8.535 -3.132 -3.619 21 HD2 PHE 4 HD2 PHE 4 6.110 -0.003 -2.052 22 HE1 PHE 4 HE1 PHE 4 9.341 -1.625 -5.387 23 HE2 PHE 4 HE2 PHE 4 6.910 1.507 -3.820 24 HZ PHE 4 HZ PHE 4 8.528 0.697 -5.489 25 H THR 5 HN THR 5 5.875 -2.446 0.628 26 HA THR 5 HA THR 5 6.278 -3.517 3.107 27 HB THR 5 HB THR 5 4.438 -2.010 2.727 28 HG1 THR 5 HG1 THR 5 4.293 -3.851 4.350 29 HG21 THR 5 HG21 THR 5 2.979 -2.207 1.050 30 HG22 THR 5 HG22 THR 5 2.498 -3.817 1.586 31 HG23 THR 5 HG23 THR 5 3.881 -3.622 0.507 32 H GLY 6 HN GLY 6 6.516 -5.488 3.881 33 HA2 GLY 6 HA2 GLY 6 5.687 -7.792 2.273 34 HA3 GLY 6 HA1 GLY 6 6.806 -7.820 3.629 35 H LYS 7 HN LYS 7 6.053 -8.835 5.339 36 HA LYS 7 HA LYS 7 3.422 -9.722 5.689 37 HB2 LYS 7 HB2 LYS 7 5.678 -10.480 6.778 38 HB3 LYS 7 HB1 LYS 7 5.294 -9.287 8.005 39 HG2 LYS 7 HG2 LYS 7 3.547 -11.628 7.257 40 HG3 LYS 7 HG1 LYS 7 4.648 -11.579 8.632 41 HD2 LYS 7 HD2 LYS 7 2.237 -9.824 8.197 42 HD3 LYS 7 HD1 LYS 7 2.384 -11.138 9.355 43 HE2 LYS 7 HE2 LYS 7 3.705 -9.936 10.776 44 HE3 LYS 7 HE1 LYS 7 4.393 -8.953 9.484 45 HZ1 LYS 7 HZ1 LYS 7 2.751 -7.421 9.846 46 H ARG 8 HN ARG 8 4.962 -6.722 6.595 47 HA ARG 8 HA ARG 8 3.488 -5.709 8.639 48 HB2 ARG 8 HB2 ARG 8 4.409 -4.246 6.166 49 HB3 ARG 8 HB1 ARG 8 3.874 -3.463 7.644 50 HG2 ARG 8 HG2 ARG 8 5.899 -3.630 8.517 51 HG3 ARG 8 HG1 ARG 8 5.909 -5.376 8.264 52 HD2 ARG 8 HD2 ARG 8 7.791 -4.271 7.134 53 HD3 ARG 8 HD1 ARG 8 6.715 -5.074 5.997 54 HE ARG 8 HE ARG 8 6.401 -3.059 5.004 55 HH11 ARG 8 HH11 ARG 8 7.352 -2.431 8.320 56 HH12 ARG 8 HH12 ARG 8 7.335 -0.712 8.122 57 HH21 ARG 8 HH21 ARG 8 6.399 -0.798 4.753 58 HH22 ARG 8 HH22 ARG 8 6.797 0.215 6.100 59 H LYS 9 HN LYS 9 2.492 -5.855 5.248 60 HA LYS 9 HA LYS 9 0.163 -4.285 5.522 61 HB2 LYS 9 HB2 LYS 9 -0.523 -5.130 3.381 62 HB3 LYS 9 HB1 LYS 9 1.210 -4.841 3.349 63 HG2 LYS 9 HG2 LYS 9 1.558 -7.272 3.740 64 HG3 LYS 9 HG1 LYS 9 -0.181 -7.499 3.588 65 HD2 LYS 9 HD2 LYS 9 1.637 -6.348 1.474 66 HD3 LYS 9 HD1 LYS 9 0.983 -7.985 1.489 67 HE2 LYS 9 HE2 LYS 9 -0.640 -5.443 1.361 68 HE3 LYS 9 HE1 LYS 9 -0.282 -6.500 -0.003 69 HZ1 LYS 9 HZ1 LYS 9 -1.995 -7.055 2.343 70 HZ2 LYS 9 HZ2 LYS 9 -1.407 -8.301 1.360 71 HZ3 LYS 9 HZ3 LYS 9 -2.409 -7.107 0.703 72 H SER 10 HN SER 10 0.645 -7.783 5.861 73 HA SER 10 HA SER 10 -2.067 -8.497 6.101 74 HB2 SER 10 HB2 SER 10 -0.313 -10.154 5.684 75 HB3 SER 10 HB1 SER 10 0.369 -9.851 7.281 76 HG SER 10 HG SER 10 -1.857 -11.315 6.553 77 H ASP 11 HN ASP 11 0.360 -7.770 8.593 78 HA ASP 11 HA ASP 11 -1.380 -8.112 10.807 79 HB2 ASP 11 HB2 ASP 11 1.109 -6.395 10.701 80 HB3 ASP 11 HB1 ASP 11 0.378 -7.125 12.129 81 H ARG 12 HN ARG 12 -0.643 -5.422 8.703 82 HA ARG 12 HA ARG 12 -1.654 -3.306 10.239 83 HB2 ARG 12 HB2 ARG 12 -0.281 -3.164 8.115 84 HB3 ARG 12 HB1 ARG 12 -1.755 -3.522 7.231 85 HG2 ARG 12 HG2 ARG 12 -1.616 -1.219 7.117 86 HG3 ARG 12 HG1 ARG 12 -2.728 -1.478 8.462 87 HD2 ARG 12 HD2 ARG 12 -0.897 -1.172 10.046 88 HD3 ARG 12 HD1 ARG 12 0.229 -0.944 8.708 89 HE ARG 12 HE ARG 12 -1.940 0.901 8.594 90 HH11 ARG 12 HH11 ARG 12 1.130 0.281 10.162 91 HH12 ARG 12 HH12 ARG 12 1.420 1.948 10.522 92 HH21 ARG 12 HH21 ARG 12 -1.551 3.094 9.074 93 HH22 ARG 12 HH22 ARG 12 -0.101 3.545 9.906 94 H LYS 13 HN LYS 13 -3.230 -5.264 7.721 95 HA LYS 13 HA LYS 13 -5.747 -3.992 7.973 96 HB2 LYS 13 HB2 LYS 13 -6.626 -5.817 6.597 97 HB3 LYS 13 HB1 LYS 13 -5.137 -5.168 5.929 98 HG2 LYS 13 HG2 LYS 13 -3.892 -7.063 6.811 99 HG3 LYS 13 HG1 LYS 13 -5.366 -7.708 7.535 100 HD2 LYS 13 HD2 LYS 13 -4.933 -7.258 4.581 101 HD3 LYS 13 HD1 LYS 13 -4.786 -8.811 5.404 102 HE2 LYS 13 HE2 LYS 13 -7.139 -8.655 6.090 103 HE3 LYS 13 HE1 LYS 13 -7.280 -7.120 5.233 104 HZ1 LYS 13 HZ1 LYS 13 -8.093 -9.134 4.008 105 HZ2 LYS 13 HZ2 LYS 13 -6.483 -9.640 3.890 106 HZ3 LYS 13 HZ3 LYS 13 -6.968 -8.188 3.170 107 H LYS 14 HN LYS 14 -4.512 -7.069 9.296 108 HA LYS 14 HA LYS 14 -6.904 -7.868 10.517 109 HB2 LYS 14 HB2 LYS 14 -5.638 -9.429 11.789 110 HB3 LYS 14 HB1 LYS 14 -4.878 -9.316 10.213 111 HG2 LYS 14 HG2 LYS 14 -3.100 -9.367 11.695 112 HG3 LYS 14 HG1 LYS 14 -3.273 -7.659 11.309 113 HD2 LYS 14 HD2 LYS 14 -2.920 -7.813 13.655 114 HD3 LYS 14 HD1 LYS 14 -4.617 -7.422 13.427 115 HE2 LYS 14 HE2 LYS 14 -3.679 -10.248 13.768 116 HE3 LYS 14 HE1 LYS 14 -4.005 -9.212 15.151 117 HZ1 LYS 14 HZ1 LYS 14 -5.956 -10.373 13.331 118 H LYS 15 HN LYS 15 -4.566 -5.464 11.474 119 HA LYS 15 HA LYS 15 -5.015 -5.260 14.197 120 HB2 LYS 15 HB2 LYS 15 -3.356 -3.899 12.980 121 HB3 LYS 15 HB1 LYS 15 -4.656 -2.999 12.214 122 HG2 LYS 15 HG2 LYS 15 -5.377 -2.283 14.512 123 HG3 LYS 15 HG1 LYS 15 -3.881 -2.996 15.118 124 HD2 LYS 15 HD2 LYS 15 -4.102 -0.790 13.069 125 HD3 LYS 15 HD1 LYS 15 -3.620 -0.597 14.754 126 HE2 LYS 15 HE2 LYS 15 -1.655 -1.989 14.362 127 HE3 LYS 15 HE1 LYS 15 -2.150 -2.237 12.689 128 HZ1 LYS 15 HZ1 LYS 15 -1.955 0.184 12.360 129 HZ2 LYS 15 HZ2 LYS 15 -0.485 -0.537 12.779 130 HZ3 LYS 15 HZ3 LYS 15 -1.354 0.340 13.935 131 H ASN 16 HN ASN 16 -6.856 -3.914 11.505 132 HA ASN 16 HA ASN 16 -8.874 -2.758 13.212 133 HB2 ASN 16 HB2 ASN 16 -8.756 -3.111 10.209 134 HB3 ASN 16 HB1 ASN 16 -10.021 -2.238 11.057 135 HD21 ASN 16 HD21 ASN 16 -7.382 -1.529 12.836 136 HD22 ASN 16 HD22 ASN 16 -6.838 -0.117 12.013 137 H GLN 17 HN GLN 17 -8.561 -5.577 11.097 138 HA GLN 17 HA GLN 17 -11.229 -6.465 11.285 139 HB2 GLN 17 HB2 GLN 17 -8.728 -8.082 10.771 140 HB3 GLN 17 HB1 GLN 17 -10.370 -8.615 10.453 141 HG2 GLN 17 HG2 GLN 17 -8.969 -6.310 9.118 142 HG3 GLN 17 HG1 GLN 17 -9.257 -7.900 8.415 143 HE21 GLN 17 HE21 GLN 17 -10.303 -4.816 8.422 144 HE22 GLN 17 HE22 GLN 17 -11.949 -5.052 7.955 145 H ASP 18 HN ASP 18 -8.357 -7.913 12.862 146 HA ASP 18 HA ASP 18 -10.088 -9.193 14.800 147 HB2 ASP 18 HB2 ASP 18 -8.254 -10.501 15.460 148 HB3 ASP 18 HB1 ASP 18 -8.070 -10.320 13.725 149 HN1 NH2 19 HN1 NH2 19 -7.967 -6.436 14.673 150 HN2 NH2 19 HN2 NH2 19 -8.155 -5.970 16.324 Start of MODEL 16 1 H1 PHE 1 HN PHE 1 12.600 -7.508 8.715 2 HA PHE 1 HA PHE 1 11.438 -9.486 8.725 3 HB2 PHE 1 HB2 PHE 1 9.054 -9.519 9.576 4 HB3 PHE 1 HB1 PHE 1 10.272 -9.023 10.743 5 HD1 PHE 1 HD2 PHE 1 7.830 -7.580 8.310 6 HD2 PHE 1 HD1 PHE 1 9.950 -7.110 11.971 7 HE1 PHE 1 HE2 PHE 1 6.559 -5.528 8.780 8 HE2 PHE 1 HE1 PHE 1 8.676 -5.062 12.450 9 HZ PHE 1 HZ PHE 1 6.980 -4.267 10.853 10 H GLY 2 HN GLY 2 9.872 -6.584 7.443 11 HA2 GLY 2 HA2 GLY 2 8.326 -8.027 5.491 12 HA3 GLY 2 HA1 GLY 2 8.528 -6.285 5.583 13 H GLY 3 HN GLY 3 8.810 -8.532 3.435 14 HA2 GLY 3 HA2 GLY 3 11.538 -8.235 2.538 15 HA3 GLY 3 HA1 GLY 3 10.245 -9.076 1.697 16 H PHE 4 HN PHE 4 10.955 -5.723 2.706 17 HA PHE 4 HA PHE 4 10.858 -3.739 1.617 18 HB2 PHE 4 HB2 PHE 4 11.143 -5.377 -0.918 19 HB3 PHE 4 HB1 PHE 4 11.471 -3.658 -0.737 20 HD1 PHE 4 HD2 PHE 4 12.651 -7.045 0.057 21 HD2 PHE 4 HD1 PHE 4 13.530 -2.883 0.206 22 HE1 PHE 4 HE2 PHE 4 14.997 -7.565 0.589 23 HE2 PHE 4 HE1 PHE 4 15.879 -3.396 0.733 24 HZ PHE 4 HZ PHE 4 16.613 -5.739 0.929 25 H THR 5 HN THR 5 8.448 -4.642 2.403 26 HA THR 5 HA THR 5 6.683 -3.640 0.293 27 HB THR 5 HB THR 5 5.007 -5.400 0.727 28 HG1 THR 5 HG1 THR 5 7.079 -6.709 2.189 29 HG21 THR 5 HG21 THR 5 7.727 -6.234 -0.247 30 HG22 THR 5 HG22 THR 5 6.305 -5.799 -1.195 31 HG23 THR 5 HG23 THR 5 6.339 -7.321 -0.306 32 H GLY 6 HN GLY 6 5.264 -2.203 1.029 33 HA2 GLY 6 HA2 GLY 6 5.198 -1.523 3.822 34 HA3 GLY 6 HA1 GLY 6 4.314 -0.728 2.532 35 H LYS 7 HN LYS 7 2.952 -3.059 1.565 36 HA LYS 7 HA LYS 7 0.747 -3.083 3.377 37 HB2 LYS 7 HB2 LYS 7 1.332 -4.270 0.710 38 HB3 LYS 7 HB1 LYS 7 -0.009 -4.928 1.632 39 HG2 LYS 7 HG2 LYS 7 0.309 -2.015 0.955 40 HG3 LYS 7 HG1 LYS 7 -0.639 -3.159 0.009 41 HD2 LYS 7 HD2 LYS 7 -1.113 -2.400 2.896 42 HD3 LYS 7 HD1 LYS 7 -2.075 -1.886 1.511 43 HE2 LYS 7 HE2 LYS 7 -3.365 -3.625 2.228 44 HE3 LYS 7 HE1 LYS 7 -2.290 -4.495 1.137 45 HZ1 LYS 7 HZ1 LYS 7 -0.975 -5.048 3.213 46 H ARG 8 HN ARG 8 3.438 -4.531 4.126 47 HA ARG 8 HA ARG 8 2.351 -7.194 4.597 48 HB2 ARG 8 HB2 ARG 8 4.672 -7.002 3.756 49 HB3 ARG 8 HB1 ARG 8 5.109 -6.121 5.215 50 HG2 ARG 8 HG2 ARG 8 5.748 -8.527 5.217 51 HG3 ARG 8 HG1 ARG 8 4.741 -8.035 6.579 52 HD2 ARG 8 HD2 ARG 8 4.062 -10.208 5.613 53 HD3 ARG 8 HD1 ARG 8 2.785 -8.996 5.544 54 HE ARG 8 HE ARG 8 2.809 -9.192 3.279 55 HH11 ARG 8 HH11 ARG 8 5.878 -10.383 4.474 56 HH12 ARG 8 HH12 ARG 8 6.432 -10.877 2.911 57 HH21 ARG 8 HH21 ARG 8 3.547 -9.841 1.226 58 HH22 ARG 8 HH22 ARG 8 5.109 -10.571 1.067 59 H LYS 9 HN LYS 9 3.884 -4.588 6.476 60 HA LYS 9 HA LYS 9 3.176 -5.693 8.998 61 HB2 LYS 9 HB2 LYS 9 5.060 -4.138 8.743 62 HB3 LYS 9 HB1 LYS 9 3.956 -2.858 8.266 63 HG2 LYS 9 HG2 LYS 9 4.657 -2.576 10.567 64 HG3 LYS 9 HG1 LYS 9 2.928 -2.916 10.488 65 HD2 LYS 9 HD2 LYS 9 3.390 -5.272 11.041 66 HD3 LYS 9 HD1 LYS 9 5.109 -4.893 11.156 67 HE2 LYS 9 HE2 LYS 9 4.135 -4.951 13.369 68 HE3 LYS 9 HE1 LYS 9 4.610 -3.301 12.972 69 HZ1 LYS 9 HZ1 LYS 9 2.074 -3.303 12.146 70 HZ2 LYS 9 HZ2 LYS 9 2.545 -2.853 13.707 71 HZ3 LYS 9 HZ3 LYS 9 1.967 -4.414 13.418 72 H SER 10 HN SER 10 1.863 -2.953 7.143 73 HA SER 10 HA SER 10 -0.155 -2.183 8.866 74 HB2 SER 10 HB2 SER 10 -1.265 -1.206 6.867 75 HB3 SER 10 HB1 SER 10 0.457 -0.837 6.941 76 HG SER 10 HG SER 10 -0.946 -2.268 5.083 77 H ASP 11 HN ASP 11 -0.501 -4.412 6.094 78 HA ASP 11 HA ASP 11 -3.187 -5.079 6.672 79 HB2 ASP 11 HB2 ASP 11 -1.100 -6.332 4.916 80 HB3 ASP 11 HB1 ASP 11 -2.657 -7.111 5.159 81 H ARG 12 HN ARG 12 -0.126 -6.576 7.652 82 HA ARG 12 HA ARG 12 -1.069 -9.002 8.603 83 HB2 ARG 12 HB2 ARG 12 1.345 -7.599 8.790 84 HB3 ARG 12 HB1 ARG 12 0.865 -7.892 10.450 85 HG2 ARG 12 HG2 ARG 12 1.047 -10.033 8.344 86 HG3 ARG 12 HG1 ARG 12 2.333 -9.646 9.486 87 HD2 ARG 12 HD2 ARG 12 0.980 -10.287 11.342 88 HD3 ARG 12 HD1 ARG 12 -0.454 -10.421 10.325 89 HE ARG 12 HE ARG 12 1.529 -12.417 10.749 90 HH11 ARG 12 HH11 ARG 12 -0.698 -11.175 8.348 91 HH12 ARG 12 HH12 ARG 12 -0.773 -12.662 7.469 92 HH21 ARG 12 HH21 ARG 12 1.424 -14.377 9.578 93 HH22 ARG 12 HH22 ARG 12 0.427 -14.478 8.166 94 H LYS 13 HN LYS 13 -0.976 -5.873 10.287 95 HA LYS 13 HA LYS 13 -2.253 -6.999 12.619 96 HB2 LYS 13 HB2 LYS 13 -0.526 -5.035 12.486 97 HB3 LYS 13 HB1 LYS 13 -1.956 -4.052 12.196 98 HG2 LYS 13 HG2 LYS 13 -2.900 -4.666 14.294 99 HG3 LYS 13 HG1 LYS 13 -1.652 -5.885 14.557 100 HD2 LYS 13 HD2 LYS 13 0.016 -3.959 14.453 101 HD3 LYS 13 HD1 LYS 13 -1.381 -2.892 14.589 102 HE2 LYS 13 HE2 LYS 13 -0.394 -3.268 16.774 103 HE3 LYS 13 HE1 LYS 13 -2.001 -3.983 16.699 104 HZ1 LYS 13 HZ1 LYS 13 -0.560 -6.083 16.001 105 HZ2 LYS 13 HZ2 LYS 13 -0.883 -5.709 17.616 106 HZ3 LYS 13 HZ3 LYS 13 0.604 -5.283 16.934 107 H LYS 14 HN LYS 14 -3.216 -4.941 9.903 108 HA LYS 14 HA LYS 14 -5.791 -4.304 10.914 109 HB2 LYS 14 HB2 LYS 14 -4.276 -3.763 8.515 110 HB3 LYS 14 HB1 LYS 14 -5.953 -4.120 8.133 111 HG2 LYS 14 HG2 LYS 14 -5.037 -2.053 10.122 112 HG3 LYS 14 HG1 LYS 14 -5.520 -1.720 8.460 113 HD2 LYS 14 HD2 LYS 14 -7.286 -2.968 10.567 114 HD3 LYS 14 HD1 LYS 14 -7.321 -1.271 10.092 115 HE2 LYS 14 HE2 LYS 14 -8.901 -1.898 8.639 116 HE3 LYS 14 HE1 LYS 14 -7.569 -2.539 7.685 117 HZ1 LYS 14 HZ1 LYS 14 -8.084 -4.716 8.497 118 H LYS 15 HN LYS 15 -4.757 -6.733 8.509 119 HA LYS 15 HA LYS 15 -7.261 -7.671 7.798 120 HB2 LYS 15 HB2 LYS 15 -4.647 -9.166 7.980 121 HB3 LYS 15 HB1 LYS 15 -6.107 -9.840 7.266 122 HG2 LYS 15 HG2 LYS 15 -6.138 -8.062 5.608 123 HG3 LYS 15 HG1 LYS 15 -4.696 -7.350 6.330 124 HD2 LYS 15 HD2 LYS 15 -4.133 -8.658 4.350 125 HD3 LYS 15 HD1 LYS 15 -3.427 -9.371 5.800 126 HE2 LYS 15 HE2 LYS 15 -5.188 -11.038 5.870 127 HE3 LYS 15 HE1 LYS 15 -5.985 -10.289 4.487 128 HZ1 LYS 15 HZ1 LYS 15 -3.314 -11.593 4.490 129 HZ2 LYS 15 HZ2 LYS 15 -3.994 -10.792 3.164 130 HZ3 LYS 15 HZ3 LYS 15 -4.726 -12.190 3.773 131 H ASN 16 HN ASN 16 -5.239 -8.641 10.527 132 HA ASN 16 HA ASN 16 -6.985 -10.704 11.421 133 HB2 ASN 16 HB2 ASN 16 -4.713 -9.219 12.720 134 HB3 ASN 16 HB1 ASN 16 -5.672 -10.392 13.617 135 HD21 ASN 16 HD21 ASN 16 -2.866 -10.070 12.072 136 HD22 ASN 16 HD22 ASN 16 -2.642 -11.679 11.484 137 H GLN 17 HN GLN 17 -6.598 -7.295 12.327 138 HA GLN 17 HA GLN 17 -8.512 -7.363 14.430 139 HB2 GLN 17 HB2 GLN 17 -6.622 -5.576 13.659 140 HB3 GLN 17 HB1 GLN 17 -8.065 -4.793 13.037 141 HG2 GLN 17 HG2 GLN 17 -7.457 -5.533 15.886 142 HG3 GLN 17 HG1 GLN 17 -7.636 -3.920 15.198 143 HE21 GLN 17 HE21 GLN 17 -9.110 -6.108 17.090 144 HE22 GLN 17 HE22 GLN 17 -10.762 -5.676 16.833 145 H ASP 18 HN ASP 18 -8.668 -6.195 11.071 146 HA ASP 18 HA ASP 18 -11.336 -5.351 11.081 147 HB2 ASP 18 HB2 ASP 18 -9.506 -6.273 8.869 148 HB3 ASP 18 HB1 ASP 18 -11.168 -5.797 8.545 149 HN1 NH2 19 HN1 NH2 19 -10.069 -8.394 9.699 150 HN2 NH2 19 HN2 NH2 19 -11.525 -9.294 9.929 Start of MODEL 17 1 H1 PHE 1 HN PHE 1 16.883 -0.140 -3.396 2 HA PHE 1 HA PHE 1 15.989 -1.530 -5.824 3 HB2 PHE 1 HB2 PHE 1 14.988 -3.296 -4.269 4 HB3 PHE 1 HB1 PHE 1 16.731 -3.324 -4.489 5 HD1 PHE 1 HD2 PHE 1 14.563 -1.254 -2.243 6 HD2 PHE 1 HD1 PHE 1 17.668 -4.151 -2.571 7 HE1 PHE 1 HE2 PHE 1 14.887 -1.181 0.195 8 HE2 PHE 1 HE1 PHE 1 17.993 -4.082 -0.133 9 HZ PHE 1 HZ PHE 1 16.603 -2.596 1.252 10 H GLY 2 HN GLY 2 13.510 -2.455 -4.819 11 HA2 GLY 2 HA2 GLY 2 11.900 -0.180 -5.178 12 HA3 GLY 2 HA1 GLY 2 11.341 -1.744 -4.617 13 H GLY 3 HN GLY 3 11.037 1.284 -3.860 14 HA2 GLY 3 HA2 GLY 3 11.898 1.541 -1.175 15 HA3 GLY 3 HA1 GLY 3 10.658 2.508 -1.958 16 H PHE 4 HN PHE 4 8.733 0.630 -2.551 17 HA PHE 4 HA PHE 4 7.391 0.339 -0.092 18 HB2 PHE 4 HB2 PHE 4 6.273 0.509 -2.318 19 HB3 PHE 4 HB1 PHE 4 6.822 -1.121 -2.685 20 HD1 PHE 4 HD1 PHE 4 5.295 0.387 0.370 21 HD2 PHE 4 HD2 PHE 4 5.003 -2.521 -2.725 22 HE1 PHE 4 HE1 PHE 4 3.269 -0.528 1.423 23 HE2 PHE 4 HE2 PHE 4 2.976 -3.440 -1.676 24 HZ PHE 4 HZ PHE 4 2.107 -2.443 0.401 25 H THR 5 HN THR 5 7.349 -1.243 1.389 26 HA THR 5 HA THR 5 7.810 -3.968 0.918 27 HB THR 5 HB THR 5 10.127 -3.385 0.511 28 HG1 THR 5 HG1 THR 5 9.999 -5.312 1.557 29 HG21 THR 5 HG21 THR 5 11.518 -2.243 2.059 30 HG22 THR 5 HG22 THR 5 10.276 -2.281 3.310 31 HG23 THR 5 HG23 THR 5 10.061 -1.265 1.886 32 H GLY 6 HN GLY 6 8.078 -1.339 3.285 33 HA2 GLY 6 HA2 GLY 6 7.585 -3.041 5.547 34 HA3 GLY 6 HA1 GLY 6 7.629 -1.288 5.551 35 H LYS 7 HN LYS 7 5.529 -3.659 3.889 36 HA LYS 7 HA LYS 7 3.194 -2.099 4.658 37 HB2 LYS 7 HB2 LYS 7 1.960 -3.500 3.120 38 HB3 LYS 7 HB1 LYS 7 3.428 -2.933 2.336 39 HG2 LYS 7 HG2 LYS 7 4.405 -5.015 2.346 40 HG3 LYS 7 HG1 LYS 7 3.439 -5.581 3.706 41 HD2 LYS 7 HD2 LYS 7 2.510 -5.153 0.869 42 HD3 LYS 7 HD1 LYS 7 2.709 -6.696 1.700 43 HE2 LYS 7 HE2 LYS 7 0.685 -4.539 2.280 44 HE3 LYS 7 HE1 LYS 7 0.378 -6.160 1.663 45 HZ1 LYS 7 HZ1 LYS 7 1.642 -6.082 4.264 46 H ARG 8 HN ARG 8 4.916 -4.720 5.900 47 HA ARG 8 HA ARG 8 3.015 -6.513 6.747 48 HB2 ARG 8 HB2 ARG 8 4.573 -7.111 8.587 49 HB3 ARG 8 HB1 ARG 8 5.343 -7.038 7.012 50 HG2 ARG 8 HG2 ARG 8 5.447 -4.594 8.679 51 HG3 ARG 8 HG1 ARG 8 6.405 -5.974 9.204 52 HD2 ARG 8 HD2 ARG 8 6.544 -4.750 6.447 53 HD3 ARG 8 HD1 ARG 8 7.643 -4.367 7.762 54 HE ARG 8 HE ARG 8 8.657 -6.437 7.510 55 HH11 ARG 8 HH11 ARG 8 5.975 -6.142 5.265 56 HH12 ARG 8 HH12 ARG 8 6.401 -7.566 4.390 57 HH21 ARG 8 HH21 ARG 8 9.214 -8.292 6.326 58 HH22 ARG 8 HH22 ARG 8 8.234 -8.785 4.987 59 H LYS 9 HN LYS 9 3.854 -3.402 8.172 60 HA LYS 9 HA LYS 9 2.534 -3.668 10.623 61 HB2 LYS 9 HB2 LYS 9 2.907 -1.222 8.894 62 HB3 LYS 9 HB1 LYS 9 2.292 -1.173 10.539 63 HG2 LYS 9 HG2 LYS 9 4.409 -2.165 11.333 64 HG3 LYS 9 HG1 LYS 9 5.019 -2.119 9.676 65 HD2 LYS 9 HD2 LYS 9 4.076 0.310 11.197 66 HD3 LYS 9 HD1 LYS 9 5.762 -0.204 11.105 67 HE2 LYS 9 HE2 LYS 9 4.040 0.439 8.715 68 HE3 LYS 9 HE1 LYS 9 5.151 1.577 9.473 69 HZ1 LYS 9 HZ1 LYS 9 6.297 0.643 7.663 70 HZ2 LYS 9 HZ2 LYS 9 5.814 -0.933 8.043 71 HZ3 LYS 9 HZ3 LYS 9 6.931 -0.131 9.027 72 H SER 10 HN SER 10 1.268 -2.450 7.526 73 HA SER 10 HA SER 10 -1.381 -2.081 8.520 74 HB2 SER 10 HB2 SER 10 -0.371 -2.206 5.672 75 HB3 SER 10 HB1 SER 10 -1.984 -1.683 6.158 76 HG SER 10 HG SER 10 -0.154 -0.062 5.842 77 H ASP 11 HN ASP 11 0.116 -4.579 6.468 78 HA ASP 11 HA ASP 11 -2.206 -6.064 5.991 79 HB2 ASP 11 HB2 ASP 11 0.702 -6.845 6.028 80 HB3 ASP 11 HB1 ASP 11 -0.566 -8.008 5.655 81 H ARG 12 HN ARG 12 0.090 -6.213 8.669 82 HA ARG 12 HA ARG 12 -0.998 -8.525 9.886 83 HB2 ARG 12 HB2 ARG 12 0.670 -6.268 10.981 84 HB3 ARG 12 HB1 ARG 12 0.204 -7.668 11.939 85 HG2 ARG 12 HG2 ARG 12 1.416 -9.143 10.510 86 HG3 ARG 12 HG1 ARG 12 1.724 -7.856 9.348 87 HD2 ARG 12 HD2 ARG 12 3.698 -8.346 10.714 88 HD3 ARG 12 HD1 ARG 12 3.124 -6.700 10.965 89 HE ARG 12 HE ARG 12 3.134 -8.865 12.888 90 HH11 ARG 12 HH11 ARG 12 2.038 -5.628 12.123 91 HH12 ARG 12 HH12 ARG 12 1.541 -5.282 13.744 92 HH21 ARG 12 HH21 ARG 12 2.490 -8.396 15.020 93 HH22 ARG 12 HH22 ARG 12 1.802 -6.851 15.389 94 H LYS 13 HN LYS 13 -1.493 -5.050 10.545 95 HA LYS 13 HA LYS 13 -3.379 -5.373 12.610 96 HB2 LYS 13 HB2 LYS 13 -2.825 -3.131 10.684 97 HB3 LYS 13 HB1 LYS 13 -4.155 -3.032 11.827 98 HG2 LYS 13 HG2 LYS 13 -1.269 -3.446 12.573 99 HG3 LYS 13 HG1 LYS 13 -2.119 -1.901 12.610 100 HD2 LYS 13 HD2 LYS 13 -2.807 -4.354 14.234 101 HD3 LYS 13 HD1 LYS 13 -2.027 -2.891 14.837 102 HE2 LYS 13 HE2 LYS 13 -4.034 -1.600 14.206 103 HE3 LYS 13 HE1 LYS 13 -4.811 -3.096 13.691 104 HZ1 LYS 13 HZ1 LYS 13 -5.541 -2.564 15.884 105 HZ2 LYS 13 HZ2 LYS 13 -3.954 -2.395 16.444 106 HZ3 LYS 13 HZ3 LYS 13 -4.533 -3.918 15.991 107 H LYS 14 HN LYS 14 -3.780 -5.020 9.110 108 HA LYS 14 HA LYS 14 -6.586 -5.011 9.068 109 HB2 LYS 14 HB2 LYS 14 -4.478 -5.638 7.039 110 HB3 LYS 14 HB1 LYS 14 -6.163 -5.946 6.659 111 HG2 LYS 14 HG2 LYS 14 -5.217 -3.262 7.609 112 HG3 LYS 14 HG1 LYS 14 -5.166 -3.729 5.910 113 HD2 LYS 14 HD2 LYS 14 -7.190 -2.549 6.186 114 HD3 LYS 14 HD1 LYS 14 -7.646 -4.247 6.124 115 HE2 LYS 14 HE2 LYS 14 -7.146 -3.600 8.834 116 HE3 LYS 14 HE1 LYS 14 -8.133 -2.314 8.169 117 HZ1 LYS 14 HZ1 LYS 14 -9.800 -3.806 8.661 118 H LYS 15 HN LYS 15 -4.295 -7.703 8.703 119 HA LYS 15 HA LYS 15 -6.192 -9.716 8.299 120 HB2 LYS 15 HB2 LYS 15 -3.787 -10.058 7.953 121 HB3 LYS 15 HB1 LYS 15 -3.499 -9.879 9.676 122 HG2 LYS 15 HG2 LYS 15 -3.416 -12.197 9.137 123 HG3 LYS 15 HG1 LYS 15 -4.887 -11.902 10.063 124 HD2 LYS 15 HD2 LYS 15 -5.403 -13.380 8.237 125 HD3 LYS 15 HD1 LYS 15 -6.150 -11.813 7.922 126 HE2 LYS 15 HE2 LYS 15 -4.260 -11.236 6.449 127 HE3 LYS 15 HE1 LYS 15 -3.562 -12.828 6.745 128 HZ1 LYS 15 HZ1 LYS 15 -4.773 -12.755 4.654 129 HZ2 LYS 15 HZ2 LYS 15 -6.192 -12.312 5.460 130 HZ3 LYS 15 HZ3 LYS 15 -5.508 -13.835 5.731 131 H ASN 16 HN ASN 16 -4.906 -8.321 11.274 132 HA ASN 16 HA ASN 16 -6.026 -10.098 13.124 133 HB2 ASN 16 HB2 ASN 16 -5.369 -7.160 13.408 134 HB3 ASN 16 HB1 ASN 16 -5.752 -8.225 14.750 135 HD21 ASN 16 HD21 ASN 16 -4.193 -10.379 13.117 136 HD22 ASN 16 HD22 ASN 16 -2.555 -10.034 13.526 137 H GLN 17 HN GLN 17 -7.226 -6.911 12.087 138 HA GLN 17 HA GLN 17 -9.765 -7.398 13.395 139 HB2 GLN 17 HB2 GLN 17 -8.857 -5.187 13.588 140 HB3 GLN 17 HB1 GLN 17 -8.703 -5.041 11.844 141 HG2 GLN 17 HG2 GLN 17 -10.589 -3.765 12.724 142 HG3 GLN 17 HG1 GLN 17 -11.097 -5.008 11.588 143 HE21 GLN 17 HE21 GLN 17 -10.193 -6.088 14.747 144 HE22 GLN 17 HE22 GLN 17 -11.790 -6.352 15.339 145 H ASP 18 HN ASP 18 -8.869 -6.469 10.067 146 HA ASP 18 HA ASP 18 -11.370 -7.677 9.136 147 HB2 ASP 18 HB2 ASP 18 -10.890 -6.434 7.006 148 HB3 ASP 18 HB1 ASP 18 -11.155 -5.416 8.415 149 HN1 NH2 19 HN1 NH2 19 -9.168 -9.395 9.853 150 HN2 NH2 19 HN2 NH2 19 -8.699 -10.226 8.414 Start of MODEL 18 1 H1 PHE 1 HN PHE 1 10.173 -4.642 -2.894 2 HA PHE 1 HA PHE 1 11.234 -6.724 -3.217 3 HB2 PHE 1 HB2 PHE 1 12.406 -5.334 -5.623 4 HB3 PHE 1 HB1 PHE 1 12.995 -6.888 -5.049 5 HD1 PHE 1 HD1 PHE 1 9.587 -5.420 -5.578 6 HD2 PHE 1 HD2 PHE 1 12.298 -8.604 -6.377 7 HE1 PHE 1 HE1 PHE 1 7.847 -6.573 -6.879 8 HE2 PHE 1 HE2 PHE 1 10.562 -9.760 -7.681 9 HZ PHE 1 HZ PHE 1 8.334 -8.744 -7.934 10 H GLY 2 HN GLY 2 13.083 -3.698 -3.677 11 HA2 GLY 2 HA2 GLY 2 15.468 -4.584 -2.465 12 HA3 GLY 2 HA1 GLY 2 14.964 -2.907 -2.616 13 H GLY 3 HN GLY 3 13.008 -2.415 -1.040 14 HA2 GLY 3 HA2 GLY 3 13.995 -3.112 1.626 15 HA3 GLY 3 HA1 GLY 3 12.877 -1.811 1.237 16 H PHE 4 HN PHE 4 10.819 -2.848 0.031 17 HA PHE 4 HA PHE 4 9.851 -5.345 0.751 18 HB2 PHE 4 HB2 PHE 4 8.203 -4.582 2.571 19 HB3 PHE 4 HB1 PHE 4 9.873 -4.857 3.048 20 HD1 PHE 4 HD1 PHE 4 7.812 -2.017 1.728 21 HD2 PHE 4 HD2 PHE 4 10.757 -3.343 4.499 22 HE1 PHE 4 HE1 PHE 4 7.940 0.250 2.669 23 HE2 PHE 4 HE2 PHE 4 10.884 -1.079 5.449 24 HZ PHE 4 HZ PHE 4 9.477 0.721 4.535 25 H THR 5 HN THR 5 7.794 -5.736 -0.052 26 HA THR 5 HA THR 5 6.194 -3.489 -0.998 27 HB THR 5 HB THR 5 7.734 -3.901 -2.859 28 HG1 THR 5 HG1 THR 5 6.006 -3.360 -3.946 29 HG21 THR 5 HG21 THR 5 7.455 -6.074 -4.133 30 HG22 THR 5 HG22 THR 5 6.661 -6.711 -2.693 31 HG23 THR 5 HG23 THR 5 8.341 -6.179 -2.613 32 H GLY 6 HN GLY 6 6.075 -6.062 0.802 33 HA2 GLY 6 HA2 GLY 6 3.726 -7.345 -0.392 34 HA3 GLY 6 HA1 GLY 6 4.639 -7.939 0.985 35 H LYS 7 HN LYS 7 1.688 -7.196 0.409 36 HA LYS 7 HA LYS 7 1.195 -5.153 2.416 37 HB2 LYS 7 HB2 LYS 7 -0.177 -5.272 0.337 38 HB3 LYS 7 HB1 LYS 7 -0.801 -6.827 0.870 39 HG2 LYS 7 HG2 LYS 7 -1.506 -5.486 3.003 40 HG3 LYS 7 HG1 LYS 7 -1.360 -4.096 1.928 41 HD2 LYS 7 HD2 LYS 7 -3.045 -4.865 0.507 42 HD3 LYS 7 HD1 LYS 7 -2.942 -6.514 1.121 43 HE2 LYS 7 HE2 LYS 7 -4.079 -4.099 2.524 44 HE3 LYS 7 HE1 LYS 7 -4.953 -5.521 1.964 45 HZ1 LYS 7 HZ1 LYS 7 -3.826 -5.238 4.471 46 H ARG 8 HN ARG 8 2.492 -7.176 3.680 47 HA ARG 8 HA ARG 8 0.510 -8.926 4.903 48 HB2 ARG 8 HB2 ARG 8 3.497 -8.733 5.326 49 HB3 ARG 8 HB1 ARG 8 2.447 -9.927 6.075 50 HG2 ARG 8 HG2 ARG 8 1.909 -10.125 3.350 51 HG3 ARG 8 HG1 ARG 8 3.659 -9.922 3.458 52 HD2 ARG 8 HD2 ARG 8 2.028 -11.971 4.955 53 HD3 ARG 8 HD1 ARG 8 2.999 -12.287 3.521 54 HE ARG 8 HE ARG 8 4.678 -11.145 5.420 55 HH11 ARG 8 HH11 ARG 8 2.788 -14.071 5.049 56 HH12 ARG 8 HH12 ARG 8 3.847 -15.023 6.033 57 HH21 ARG 8 HH21 ARG 8 6.062 -12.404 6.716 58 HH22 ARG 8 HH22 ARG 8 5.704 -14.077 6.981 59 H LYS 9 HN LYS 9 2.619 -6.246 5.723 60 HA LYS 9 HA LYS 9 2.047 -6.220 8.497 61 HB2 LYS 9 HB2 LYS 9 3.057 -3.964 8.472 62 HB3 LYS 9 HB1 LYS 9 4.049 -5.151 7.640 63 HG2 LYS 9 HG2 LYS 9 3.269 -4.321 5.489 64 HG3 LYS 9 HG1 LYS 9 2.233 -3.150 6.305 65 HD2 LYS 9 HD2 LYS 9 5.241 -3.266 6.511 66 HD3 LYS 9 HD1 LYS 9 4.331 -2.142 5.502 67 HE2 LYS 9 HE2 LYS 9 4.174 -2.336 8.510 68 HE3 LYS 9 HE1 LYS 9 5.055 -1.107 7.604 69 HZ1 LYS 9 HZ1 LYS 9 3.032 -0.119 8.170 70 HZ2 LYS 9 HZ2 LYS 9 2.129 -1.498 7.795 71 HZ3 LYS 9 HZ3 LYS 9 2.818 -0.577 6.554 72 H SER 10 HN SER 10 0.718 -4.391 5.757 73 HA SER 10 HA SER 10 -1.038 -2.781 7.263 74 HB2 SER 10 HB2 SER 10 -1.209 -3.650 4.368 75 HB3 SER 10 HB1 SER 10 -2.183 -2.374 5.096 76 HG SER 10 HG SER 10 0.455 -2.351 4.304 77 H ASP 11 HN ASP 11 -1.565 -5.857 5.561 78 HA ASP 11 HA ASP 11 -4.321 -6.028 6.289 79 HB2 ASP 11 HB2 ASP 11 -2.430 -8.165 5.283 80 HB3 ASP 11 HB1 ASP 11 -4.163 -8.371 5.468 81 H ARG 12 HN ARG 12 -1.342 -7.491 7.528 82 HA ARG 12 HA ARG 12 -2.377 -9.267 9.364 83 HB2 ARG 12 HB2 ARG 12 -0.007 -9.152 8.834 84 HB3 ARG 12 HB1 ARG 12 0.115 -7.580 9.608 85 HG2 ARG 12 HG2 ARG 12 1.004 -9.391 11.001 86 HG3 ARG 12 HG1 ARG 12 -0.354 -8.561 11.764 87 HD2 ARG 12 HD2 ARG 12 -1.847 -10.346 11.177 88 HD3 ARG 12 HD1 ARG 12 -0.602 -11.131 10.210 89 HE ARG 12 HE ARG 12 0.141 -12.125 12.110 90 HH11 ARG 12 HH11 ARG 12 -1.607 -9.240 13.066 91 HH12 ARG 12 HH12 ARG 12 -1.421 -9.547 14.759 92 HH21 ARG 12 HH21 ARG 12 0.374 -12.517 14.337 93 HH22 ARG 12 HH22 ARG 12 -0.301 -11.405 15.480 94 H LYS 13 HN LYS 13 -1.570 -5.840 9.969 95 HA LYS 13 HA LYS 13 -2.500 -5.906 12.656 96 HB2 LYS 13 HB2 LYS 13 -1.328 -3.937 10.873 97 HB3 LYS 13 HB1 LYS 13 -2.585 -3.240 11.885 98 HG2 LYS 13 HG2 LYS 13 -0.464 -2.993 12.975 99 HG3 LYS 13 HG1 LYS 13 -1.439 -4.154 13.875 100 HD2 LYS 13 HD2 LYS 13 0.762 -5.044 13.753 101 HD3 LYS 13 HD1 LYS 13 -0.229 -5.974 12.628 102 HE2 LYS 13 HE2 LYS 13 0.604 -4.554 10.783 103 HE3 LYS 13 HE1 LYS 13 1.656 -3.726 11.926 104 HZ1 LYS 13 HZ1 LYS 13 2.582 -6.018 12.422 105 HZ2 LYS 13 HZ2 LYS 13 2.987 -5.344 10.925 106 HZ3 LYS 13 HZ3 LYS 13 1.792 -6.538 11.019 107 H LYS 14 HN LYS 14 -3.980 -4.789 9.628 108 HA LYS 14 HA LYS 14 -6.290 -3.670 10.776 109 HB2 LYS 14 HB2 LYS 14 -5.402 -3.386 8.404 110 HB3 LYS 14 HB1 LYS 14 -6.159 -4.927 8.038 111 HG2 LYS 14 HG2 LYS 14 -7.629 -2.513 9.080 112 HG3 LYS 14 HG1 LYS 14 -7.508 -2.960 7.378 113 HD2 LYS 14 HD2 LYS 14 -9.207 -4.374 7.592 114 HD3 LYS 14 HD1 LYS 14 -8.388 -5.224 8.898 115 HE2 LYS 14 HE2 LYS 14 -9.225 -3.010 10.202 116 HE3 LYS 14 HE1 LYS 14 -10.503 -3.173 8.996 117 HZ1 LYS 14 HZ1 LYS 14 -10.123 -5.681 10.115 118 H LYS 15 HN LYS 15 -5.908 -6.874 9.222 119 HA LYS 15 HA LYS 15 -8.490 -7.788 9.686 120 HB2 LYS 15 HB2 LYS 15 -5.980 -9.474 9.601 121 HB3 LYS 15 HB1 LYS 15 -7.623 -10.049 9.355 122 HG2 LYS 15 HG2 LYS 15 -7.775 -8.516 7.384 123 HG3 LYS 15 HG1 LYS 15 -6.058 -8.191 7.581 124 HD2 LYS 15 HD2 LYS 15 -6.050 -9.877 6.004 125 HD3 LYS 15 HD1 LYS 15 -5.828 -10.783 7.500 126 HE2 LYS 15 HE2 LYS 15 -7.474 -11.927 6.200 127 HE3 LYS 15 HE1 LYS 15 -8.303 -11.151 7.550 128 HZ1 LYS 15 HZ1 LYS 15 -9.660 -10.415 5.936 129 HZ2 LYS 15 HZ2 LYS 15 -8.520 -10.636 4.705 130 HZ3 LYS 15 HZ3 LYS 15 -8.462 -9.249 5.672 131 H ASN 16 HN ASN 16 -5.628 -8.035 11.759 132 HA ASN 16 HA ASN 16 -6.942 -9.531 13.804 133 HB2 ASN 16 HB2 ASN 16 -4.381 -7.932 13.780 134 HB3 ASN 16 HB1 ASN 16 -4.964 -8.770 15.215 135 HD21 ASN 16 HD21 ASN 16 -4.045 -10.652 15.514 136 HD22 ASN 16 HD22 ASN 16 -3.514 -11.740 14.281 137 H GLN 17 HN GLN 17 -6.453 -6.113 13.171 138 HA GLN 17 HA GLN 17 -7.230 -5.018 15.615 139 HB2 GLN 17 HB2 GLN 17 -7.039 -4.092 12.822 140 HB3 GLN 17 HB1 GLN 17 -8.145 -3.177 13.827 141 HG2 GLN 17 HG2 GLN 17 -5.302 -3.726 14.613 142 HG3 GLN 17 HG1 GLN 17 -5.785 -2.316 13.673 143 HE21 GLN 17 HE21 GLN 17 -6.073 -0.552 14.827 144 HE22 GLN 17 HE22 GLN 17 -6.585 -0.484 16.477 145 H ASP 18 HN ASP 18 -9.226 -5.831 12.782 146 HA ASP 18 HA ASP 18 -11.664 -5.032 14.084 147 HB2 ASP 18 HB2 ASP 18 -11.358 -6.642 11.540 148 HB3 ASP 18 HB1 ASP 18 -12.778 -5.741 12.062 149 HN1 NH2 19 HN1 NH2 19 -10.521 -8.190 12.869 150 HN2 NH2 19 HN2 NH2 19 -11.382 -9.134 14.030 Start of MODEL 19 1 H1 PHE 1 HN PHE 1 19.143 -0.613 5.149 2 HA PHE 1 HA PHE 1 17.473 0.774 4.474 3 HB2 PHE 1 HB2 PHE 1 17.203 0.894 1.962 4 HB3 PHE 1 HB1 PHE 1 18.846 1.076 2.563 5 HD1 PHE 1 HD2 PHE 1 16.578 -1.690 1.449 6 HD2 PHE 1 HD1 PHE 1 20.488 -0.006 1.384 7 HE1 PHE 1 HE2 PHE 1 17.321 -3.482 -0.063 8 HE2 PHE 1 HE1 PHE 1 21.234 -1.791 -0.131 9 HZ PHE 1 HZ PHE 1 19.653 -3.534 -0.856 10 H GLY 2 HN GLY 2 15.287 0.989 3.947 11 HA2 GLY 2 HA2 GLY 2 13.719 -1.367 4.395 12 HA3 GLY 2 HA1 GLY 2 13.110 0.257 4.126 13 H GLY 3 HN GLY 3 14.757 -2.343 2.298 14 HA2 GLY 3 HA2 GLY 3 14.047 -1.594 -0.255 15 HA3 GLY 3 HA1 GLY 3 14.289 -3.259 0.247 16 H PHE 4 HN PHE 4 12.195 -1.307 -1.266 17 HA PHE 4 HA PHE 4 10.034 -1.475 -1.936 18 HB2 PHE 4 HB2 PHE 4 10.746 -3.980 -1.956 19 HB3 PHE 4 HB1 PHE 4 9.759 -4.102 -0.504 20 HD1 PHE 4 HD2 PHE 4 9.691 -3.215 -4.086 21 HD2 PHE 4 HD1 PHE 4 7.416 -4.235 -0.638 22 HE1 PHE 4 HE2 PHE 4 7.695 -3.496 -5.494 23 HE2 PHE 4 HE1 PHE 4 5.416 -4.526 -2.036 24 HZ PHE 4 HZ PHE 4 5.552 -4.154 -4.469 25 H THR 5 HN THR 5 7.977 -0.921 -1.193 26 HA THR 5 HA THR 5 7.840 0.151 1.406 27 HB THR 5 HB THR 5 6.493 1.143 -0.324 28 HG1 THR 5 HG1 THR 5 4.787 -0.110 1.596 29 HG21 THR 5 HG21 THR 5 5.507 -0.141 -1.864 30 HG22 THR 5 HG22 THR 5 4.299 -0.580 -0.657 31 HG23 THR 5 HG23 THR 5 5.731 -1.584 -0.877 32 H GLY 6 HN GLY 6 8.320 -1.481 2.884 33 HA2 GLY 6 HA2 GLY 6 6.787 -3.901 3.028 34 HA3 GLY 6 HA1 GLY 6 7.946 -3.321 4.215 35 H LYS 7 HN LYS 7 4.685 -3.835 3.555 36 HA LYS 7 HA LYS 7 3.799 -1.938 5.600 37 HB2 LYS 7 HB2 LYS 7 1.550 -2.338 4.846 38 HB3 LYS 7 HB1 LYS 7 2.562 -2.028 3.447 39 HG2 LYS 7 HG2 LYS 7 2.569 -4.340 2.852 40 HG3 LYS 7 HG1 LYS 7 1.758 -4.784 4.354 41 HD2 LYS 7 HD2 LYS 7 -0.009 -2.985 3.391 42 HD3 LYS 7 HD1 LYS 7 0.662 -3.594 1.876 43 HE2 LYS 7 HE2 LYS 7 -1.386 -4.794 2.715 44 HE3 LYS 7 HE1 LYS 7 0.005 -5.823 2.376 45 HZ1 LYS 7 HZ1 LYS 7 -1.042 -5.128 5.022 46 H ARG 8 HN ARG 8 5.342 -3.808 6.705 47 HA ARG 8 HA ARG 8 4.139 -6.197 7.518 48 HB2 ARG 8 HB2 ARG 8 6.407 -4.537 8.530 49 HB3 ARG 8 HB1 ARG 8 5.824 -5.866 9.524 50 HG2 ARG 8 HG2 ARG 8 6.223 -7.427 7.694 51 HG3 ARG 8 HG1 ARG 8 6.759 -6.100 6.668 52 HD2 ARG 8 HD2 ARG 8 8.716 -5.772 7.927 53 HD3 ARG 8 HD1 ARG 8 8.101 -6.706 9.289 54 HE ARG 8 HE ARG 8 9.029 -8.536 8.313 55 HH11 ARG 8 HH11 ARG 8 8.350 -6.235 5.753 56 HH12 ARG 8 HH12 ARG 8 8.912 -7.286 4.499 57 HH21 ARG 8 HH21 ARG 8 9.778 -9.906 6.650 58 HH22 ARG 8 HH22 ARG 8 9.727 -9.365 5.006 59 H LYS 9 HN LYS 9 3.893 -2.959 8.866 60 HA LYS 9 HA LYS 9 2.549 -3.821 11.258 61 HB2 LYS 9 HB2 LYS 9 2.648 -1.029 10.112 62 HB3 LYS 9 HB1 LYS 9 2.202 -1.474 11.744 63 HG2 LYS 9 HG2 LYS 9 4.339 -0.763 12.071 64 HG3 LYS 9 HG1 LYS 9 4.602 -2.487 11.830 65 HD2 LYS 9 HD2 LYS 9 6.255 -1.403 10.544 66 HD3 LYS 9 HD1 LYS 9 5.045 -1.925 9.385 67 HE2 LYS 9 HE2 LYS 9 5.230 0.849 10.542 68 HE3 LYS 9 HE1 LYS 9 5.881 0.370 8.978 69 HZ1 LYS 9 HZ1 LYS 9 3.098 0.774 9.793 70 HZ2 LYS 9 HZ2 LYS 9 3.409 -0.411 8.621 71 HZ3 LYS 9 HZ3 LYS 9 3.875 1.190 8.349 72 H SER 10 HN SER 10 1.568 -2.267 8.223 73 HA SER 10 HA SER 10 -1.159 -2.016 8.837 74 HB2 SER 10 HB2 SER 10 0.314 -2.148 6.212 75 HB3 SER 10 HB1 SER 10 -1.432 -1.901 6.303 76 HG SER 10 HG SER 10 -1.018 0.114 6.695 77 H ASP 11 HN ASP 11 0.574 -4.614 7.132 78 HA ASP 11 HA ASP 11 -1.735 -6.116 6.527 79 HB2 ASP 11 HB2 ASP 11 1.160 -6.921 6.749 80 HB3 ASP 11 HB1 ASP 11 -0.103 -8.057 6.304 81 H ARG 12 HN ARG 12 0.485 -6.246 9.322 82 HA ARG 12 HA ARG 12 -0.640 -8.551 10.473 83 HB2 ARG 12 HB2 ARG 12 1.523 -7.587 11.180 84 HB3 ARG 12 HB1 ARG 12 0.661 -6.252 11.933 85 HG2 ARG 12 HG2 ARG 12 1.252 -7.831 13.626 86 HG3 ARG 12 HG1 ARG 12 -0.496 -7.893 13.394 87 HD2 ARG 12 HD2 ARG 12 -0.105 -9.847 11.846 88 HD3 ARG 12 HD1 ARG 12 1.571 -9.848 12.393 89 HE ARG 12 HE ARG 12 0.895 -10.835 14.341 90 HH11 ARG 12 HH11 ARG 12 -1.930 -9.528 12.729 91 HH12 ARG 12 HH12 ARG 12 -3.045 -10.210 13.863 92 HH21 ARG 12 HH21 ARG 12 -0.584 -11.733 15.833 93 HH22 ARG 12 HH22 ARG 12 -2.281 -11.461 15.626 94 H LYS 13 HN LYS 13 -1.359 -5.111 11.181 95 HA LYS 13 HA LYS 13 -3.418 -5.752 13.031 96 HB2 LYS 13 HB2 LYS 13 -3.959 -3.423 13.090 97 HB3 LYS 13 HB1 LYS 13 -2.214 -3.575 13.020 98 HG2 LYS 13 HG2 LYS 13 -2.602 -1.840 11.568 99 HG3 LYS 13 HG1 LYS 13 -2.547 -3.214 10.467 100 HD2 LYS 13 HD2 LYS 13 -4.899 -3.248 10.234 101 HD3 LYS 13 HD1 LYS 13 -5.130 -2.193 11.625 102 HE2 LYS 13 HE2 LYS 13 -5.490 -1.046 9.468 103 HE3 LYS 13 HE1 LYS 13 -4.199 -0.324 10.422 104 HZ1 LYS 13 HZ1 LYS 13 -2.690 -0.806 8.865 105 HZ2 LYS 13 HZ2 LYS 13 -4.009 -1.014 7.828 106 HZ3 LYS 13 HZ3 LYS 13 -3.306 -2.356 8.578 107 H LYS 14 HN LYS 14 -3.439 -5.044 9.568 108 HA LYS 14 HA LYS 14 -6.251 -4.928 9.281 109 HB2 LYS 14 HB2 LYS 14 -4.732 -4.083 7.543 110 HB3 LYS 14 HB1 LYS 14 -4.173 -5.722 7.226 111 HG2 LYS 14 HG2 LYS 14 -5.772 -5.067 5.548 112 HG3 LYS 14 HG1 LYS 14 -6.451 -6.350 6.552 113 HD2 LYS 14 HD2 LYS 14 -7.537 -4.470 7.912 114 HD3 LYS 14 HD1 LYS 14 -7.110 -3.411 6.566 115 HE2 LYS 14 HE2 LYS 14 -9.328 -4.091 6.158 116 HE3 LYS 14 HE1 LYS 14 -8.332 -5.057 5.071 117 HZ1 LYS 14 HZ1 LYS 14 -9.818 -6.003 7.384 118 H LYS 15 HN LYS 15 -3.981 -7.603 9.419 119 HA LYS 15 HA LYS 15 -5.538 -9.645 8.337 120 HB2 LYS 15 HB2 LYS 15 -3.213 -10.023 8.877 121 HB3 LYS 15 HB1 LYS 15 -3.515 -9.731 10.583 122 HG2 LYS 15 HG2 LYS 15 -4.823 -11.751 10.747 123 HG3 LYS 15 HG1 LYS 15 -4.675 -12.020 9.008 124 HD2 LYS 15 HD2 LYS 15 -2.293 -12.334 9.208 125 HD3 LYS 15 HD1 LYS 15 -2.341 -11.910 10.919 126 HE2 LYS 15 HE2 LYS 15 -3.749 -14.284 9.696 127 HE3 LYS 15 HE1 LYS 15 -2.181 -14.353 10.498 128 HZ1 LYS 15 HZ1 LYS 15 -4.824 -13.762 11.689 129 HZ2 LYS 15 HZ2 LYS 15 -3.386 -13.358 12.483 130 HZ3 LYS 15 HZ3 LYS 15 -3.725 -14.975 12.115 131 H ASN 16 HN ASN 16 -5.472 -8.345 11.641 132 HA ASN 16 HA ASN 16 -7.499 -10.149 12.591 133 HB2 ASN 16 HB2 ASN 16 -5.814 -8.071 13.746 134 HB3 ASN 16 HB1 ASN 16 -7.466 -8.010 14.361 135 HD21 ASN 16 HD21 ASN 16 -4.575 -9.107 15.130 136 HD22 ASN 16 HD22 ASN 16 -4.987 -10.556 15.976 137 H GLN 17 HN GLN 17 -7.407 -6.749 11.577 138 HA GLN 17 HA GLN 17 -10.038 -6.039 12.158 139 HB2 GLN 17 HB2 GLN 17 -8.058 -5.093 10.113 140 HB3 GLN 17 HB1 GLN 17 -9.699 -4.474 10.087 141 HG2 GLN 17 HG2 GLN 17 -7.860 -4.321 12.463 142 HG3 GLN 17 HG1 GLN 17 -8.095 -3.027 11.287 143 HE21 GLN 17 HE21 GLN 17 -8.813 -3.735 14.276 144 HE22 GLN 17 HE22 GLN 17 -10.406 -3.083 14.419 145 H ASP 18 HN ASP 18 -8.714 -7.386 9.134 146 HA ASP 18 HA ASP 18 -11.175 -7.473 7.756 147 HB2 ASP 18 HB2 ASP 18 -8.698 -9.168 7.351 148 HB3 ASP 18 HB1 ASP 18 -10.044 -9.071 6.227 149 HN1 NH2 19 HN1 NH2 19 -9.412 -10.020 9.523 150 HN2 NH2 19 HN2 NH2 19 -10.782 -11.049 9.742 Start of MODEL 20 1 H1 PHE 1 HN PHE 1 10.413 -10.648 -4.179 2 HA PHE 1 HA PHE 1 11.106 -8.622 -4.983 3 HB2 PHE 1 HB2 PHE 1 9.364 -9.098 -7.392 4 HB3 PHE 1 HB1 PHE 1 10.949 -8.343 -7.311 5 HD1 PHE 1 HD1 PHE 1 9.289 -11.630 -6.737 6 HD2 PHE 1 HD2 PHE 1 12.798 -9.555 -7.961 7 HE1 PHE 1 HE1 PHE 1 10.330 -13.771 -7.363 8 HE2 PHE 1 HE2 PHE 1 13.843 -11.694 -8.591 9 HZ PHE 1 HZ PHE 1 12.609 -13.804 -8.292 10 H GLY 2 HN GLY 2 8.747 -8.578 -3.323 11 HA2 GLY 2 HA2 GLY 2 6.846 -6.762 -4.494 12 HA3 GLY 2 HA1 GLY 2 6.870 -7.322 -2.832 13 H GLY 3 HN GLY 3 6.678 -4.613 -4.328 14 HA2 GLY 3 HA2 GLY 3 8.920 -3.070 -3.493 15 HA3 GLY 3 HA1 GLY 3 7.345 -2.441 -3.966 16 H PHE 4 HN PHE 4 5.590 -3.211 -2.210 17 HA PHE 4 HA PHE 4 6.423 -1.934 0.254 18 HB2 PHE 4 HB2 PHE 4 3.765 -2.907 -0.788 19 HB3 PHE 4 HB1 PHE 4 3.967 -2.375 0.879 20 HD1 PHE 4 HD2 PHE 4 5.702 -0.860 -2.014 21 HD2 PHE 4 HD1 PHE 4 2.525 -0.501 0.798 22 HE1 PHE 4 HE2 PHE 4 5.368 1.478 -2.698 23 HE2 PHE 4 HE1 PHE 4 2.187 1.839 0.118 24 HZ PHE 4 HZ PHE 4 3.608 2.830 -1.633 25 H THR 5 HN THR 5 6.488 -2.889 2.290 26 HA THR 5 HA THR 5 7.422 -5.494 2.469 27 HB THR 5 HB THR 5 6.086 -3.911 4.675 28 HG1 THR 5 HG1 THR 5 8.847 -4.100 3.978 29 HG21 THR 5 HG21 THR 5 7.001 -5.374 6.214 30 HG22 THR 5 HG22 THR 5 8.244 -5.935 5.096 31 HG23 THR 5 HG23 THR 5 6.579 -6.481 4.905 32 H GLY 6 HN GLY 6 6.512 -7.452 2.532 33 HA2 GLY 6 HA2 GLY 6 3.780 -7.819 1.928 34 HA3 GLY 6 HA1 GLY 6 4.915 -9.082 2.355 35 H LYS 7 HN LYS 7 5.525 -8.811 4.906 36 HA LYS 7 HA LYS 7 3.138 -9.566 6.213 37 HB2 LYS 7 HB2 LYS 7 5.879 -9.782 6.772 38 HB3 LYS 7 HB1 LYS 7 5.191 -8.883 8.118 39 HG2 LYS 7 HG2 LYS 7 4.308 -11.587 7.119 40 HG3 LYS 7 HG1 LYS 7 5.168 -11.242 8.620 41 HD2 LYS 7 HD2 LYS 7 2.457 -10.081 7.998 42 HD3 LYS 7 HD1 LYS 7 2.660 -11.635 8.803 43 HE2 LYS 7 HE2 LYS 7 3.167 -10.682 10.755 44 HE3 LYS 7 HE1 LYS 7 4.259 -9.518 10.012 45 HZ1 LYS 7 HZ1 LYS 7 1.332 -9.123 10.032 46 H ARG 8 HN ARG 8 4.856 -6.501 6.059 47 HA ARG 8 HA ARG 8 3.745 -5.172 8.242 48 HB2 ARG 8 HB2 ARG 8 5.140 -4.451 5.850 49 HB3 ARG 8 HB1 ARG 8 3.789 -3.352 6.060 50 HG2 ARG 8 HG2 ARG 8 5.979 -3.897 8.053 51 HG3 ARG 8 HG1 ARG 8 5.773 -2.438 7.081 52 HD2 ARG 8 HD2 ARG 8 3.492 -2.215 8.179 53 HD3 ARG 8 HD1 ARG 8 4.030 -3.454 9.310 54 HE ARG 8 HE ARG 8 4.689 -0.708 9.369 55 HH11 ARG 8 HH11 ARG 8 6.134 -3.850 9.989 56 HH12 ARG 8 HH12 ARG 8 7.287 -3.222 11.118 57 HH21 ARG 8 HH21 ARG 8 6.195 0.093 10.852 58 HH22 ARG 8 HH22 ARG 8 7.319 -0.985 11.610 59 H LYS 9 HN LYS 9 2.500 -5.769 5.038 60 HA LYS 9 HA LYS 9 0.120 -4.245 5.222 61 HB2 LYS 9 HB2 LYS 9 0.763 -6.658 3.521 62 HB3 LYS 9 HB1 LYS 9 -0.595 -5.573 3.268 63 HG2 LYS 9 HG2 LYS 9 0.870 -3.762 2.725 64 HG3 LYS 9 HG1 LYS 9 2.281 -4.708 3.187 65 HD2 LYS 9 HD2 LYS 9 1.955 -4.578 0.735 66 HD3 LYS 9 HD1 LYS 9 1.935 -6.228 1.355 67 HE2 LYS 9 HE2 LYS 9 0.171 -5.647 -0.368 68 HE3 LYS 9 HE1 LYS 9 -0.406 -6.401 1.115 69 HZ1 LYS 9 HZ1 LYS 9 -0.876 -4.067 1.910 70 HZ2 LYS 9 HZ2 LYS 9 -1.860 -4.628 0.658 71 HZ3 LYS 9 HZ3 LYS 9 -0.601 -3.551 0.323 72 H SER 10 HN SER 10 0.872 -7.649 5.777 73 HA SER 10 HA SER 10 -1.751 -8.512 6.382 74 HB2 SER 10 HB2 SER 10 0.024 -10.068 5.721 75 HB3 SER 10 HB1 SER 10 0.917 -9.688 7.192 76 HG SER 10 HG SER 10 -0.239 -11.128 8.168 77 H ASP 11 HN ASP 11 0.915 -7.361 8.384 78 HA ASP 11 HA ASP 11 -0.204 -7.954 10.894 79 HB2 ASP 11 HB2 ASP 11 1.740 -5.746 10.182 80 HB3 ASP 11 HB1 ASP 11 1.443 -6.367 11.798 81 H ARG 12 HN ARG 12 -0.226 -4.969 8.963 82 HA ARG 12 HA ARG 12 -1.721 -3.422 10.805 83 HB2 ARG 12 HB2 ARG 12 -0.219 -2.650 8.856 84 HB3 ARG 12 HB1 ARG 12 -1.629 -2.908 7.841 85 HG2 ARG 12 HG2 ARG 12 -2.001 -1.248 10.263 86 HG3 ARG 12 HG1 ARG 12 -1.030 -0.564 8.960 87 HD2 ARG 12 HD2 ARG 12 -2.956 -1.146 7.410 88 HD3 ARG 12 HD1 ARG 12 -3.904 -1.465 8.864 89 HE ARG 12 HE ARG 12 -4.130 0.791 9.131 90 HH11 ARG 12 HH11 ARG 12 -1.381 0.234 7.030 91 HH12 ARG 12 HH12 ARG 12 -1.032 1.919 6.830 92 HH21 ARG 12 HH21 ARG 12 -3.650 3.021 8.873 93 HH22 ARG 12 HH22 ARG 12 -2.315 3.496 7.877 94 H LYS 13 HN LYS 13 -2.681 -5.171 7.848 95 HA LYS 13 HA LYS 13 -5.391 -4.418 7.907 96 HB2 LYS 13 HB2 LYS 13 -5.804 -6.254 6.385 97 HB3 LYS 13 HB1 LYS 13 -4.321 -5.430 5.927 98 HG2 LYS 13 HG2 LYS 13 -3.034 -7.212 7.063 99 HG3 LYS 13 HG1 LYS 13 -4.547 -8.053 7.391 100 HD2 LYS 13 HD2 LYS 13 -3.382 -7.417 4.684 101 HD3 LYS 13 HD1 LYS 13 -3.508 -9.007 5.436 102 HE2 LYS 13 HE2 LYS 13 -5.847 -7.250 4.702 103 HE3 LYS 13 HE1 LYS 13 -5.250 -8.590 3.725 104 HZ1 LYS 13 HZ1 LYS 13 -7.212 -9.013 5.282 105 HZ2 LYS 13 HZ2 LYS 13 -6.077 -9.004 6.536 106 HZ3 LYS 13 HZ3 LYS 13 -5.951 -10.140 5.289 107 H LYS 14 HN LYS 14 -3.754 -7.271 9.232 108 HA LYS 14 HA LYS 14 -5.998 -8.633 10.162 109 HB2 LYS 14 HB2 LYS 14 -3.791 -9.669 10.016 110 HB3 LYS 14 HB1 LYS 14 -3.197 -8.615 11.292 111 HG2 LYS 14 HG2 LYS 14 -3.606 -10.482 12.514 112 HG3 LYS 14 HG1 LYS 14 -5.188 -9.715 12.639 113 HD2 LYS 14 HD2 LYS 14 -4.503 -11.750 10.525 114 HD3 LYS 14 HD1 LYS 14 -5.191 -12.183 12.086 115 HE2 LYS 14 HE2 LYS 14 -6.481 -10.270 10.146 116 HE3 LYS 14 HE1 LYS 14 -6.844 -11.990 10.217 117 HZ1 LYS 14 HZ1 LYS 14 -7.451 -11.416 12.667 118 H LYS 15 HN LYS 15 -3.999 -6.209 11.835 119 HA LYS 15 HA LYS 15 -5.293 -6.461 14.330 120 HB2 LYS 15 HB2 LYS 15 -3.075 -5.390 13.990 121 HB3 LYS 15 HB1 LYS 15 -3.888 -4.018 13.250 122 HG2 LYS 15 HG2 LYS 15 -3.354 -3.508 15.544 123 HG3 LYS 15 HG1 LYS 15 -5.105 -3.629 15.356 124 HD2 LYS 15 HD2 LYS 15 -4.377 -4.752 17.395 125 HD3 LYS 15 HD1 LYS 15 -5.039 -5.913 16.243 126 HE2 LYS 15 HE2 LYS 15 -2.791 -6.549 15.562 127 HE3 LYS 15 HE1 LYS 15 -2.101 -5.359 16.664 128 HZ1 LYS 15 HZ1 LYS 15 -2.089 -7.639 17.557 129 HZ2 LYS 15 HZ2 LYS 15 -3.780 -7.661 17.508 130 HZ3 LYS 15 HZ3 LYS 15 -2.978 -6.572 18.524 131 H ASN 16 HN ASN 16 -5.779 -4.085 11.724 132 HA ASN 16 HA ASN 16 -7.845 -2.683 13.044 133 HB2 ASN 16 HB2 ASN 16 -7.197 -2.864 10.099 134 HB3 ASN 16 HB1 ASN 16 -8.337 -1.722 10.799 135 HD21 ASN 16 HD21 ASN 16 -7.519 0.222 11.038 136 HD22 ASN 16 HD22 ASN 16 -5.877 0.601 11.414 137 H GLN 17 HN GLN 17 -7.964 -5.255 10.610 138 HA GLN 17 HA GLN 17 -10.829 -5.344 10.531 139 HB2 GLN 17 HB2 GLN 17 -9.665 -5.943 8.557 140 HB3 GLN 17 HB1 GLN 17 -8.651 -7.092 9.410 141 HG2 GLN 17 HG2 GLN 17 -10.582 -8.554 9.737 142 HG3 GLN 17 HG1 GLN 17 -11.603 -7.394 8.885 143 HE21 GLN 17 HE21 GLN 17 -9.627 -10.096 8.580 144 HE22 GLN 17 HE22 GLN 17 -9.477 -10.108 6.859 145 H ASP 18 HN ASP 18 -8.341 -7.083 12.308 146 HA ASP 18 HA ASP 18 -10.348 -8.257 14.038 147 HB2 ASP 18 HB2 ASP 18 -9.166 -10.572 13.665 148 HB3 ASP 18 HB1 ASP 18 -10.439 -10.041 12.569 149 HN1 NH2 19 HN1 NH2 19 -8.870 -6.540 15.145 150 HN2 NH2 19 HN2 NH2 19 -7.539 -7.200 16.027