*HEADER TOXIN 19-JUN-08 SMS20024 *TITLE NMR SOLUTION STRUCTURE OF MU-CONOTOXIN TIIIA *COMPND MOL_ID: 1; *COMPND 2 MOLECULE: MU-CONOTOXIN TIIIA-LIKE; *COMPND 3 CHAIN: A; *COMPND 4 SYNONYM: MU-CONOTOXIN TIIIA; *COMPND 5 ENGINEERED: YES *SOURCE MOL_ID: 1; *SOURCE 2 SYNTHETIC: YES; *SOURCE 3 ORGANISM_SCIENTIFIC: CONUS STRIATUS; *SOURCE 4 ORGANISM_COMMON: STRIATED CONE; *SOURCE 5 ORGANISM_TAXID: 6493; *SOURCE 6 OTHER_DETAILS: SYNTHESIZED USING BOC SPPS CHEMISTRY *KEYWDS CONOTOXIN, CYSTEINE KNOT, TOXIN *EXPDTA SOLUTION NMR *NUMMDL 20 *AUTHOR R.J.LEWIS, C.I.SCHROEDER ! nOE table nOV "'98," (unless stereospec. 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0.0 5.0 !a268a assign (resid 3 and name ha* ) (resid 2 and name hd2 ) 0.0 0.0 6.0 !a w assign (resid 2 and name hb1 ) (resid 2 and name hd2 ) 0.0 0.0 5.0 !a275w assign (resid 2 and name hb2 ) (resid 2 and name hd2 ) 0.0 0.0 5.0 !a276w assign (resid 1 and name hb* ) (resid 2 and name hd2 ) 0.0 0.0 7.0 !a vw assign (resid 1 and name hg* ) (resid 2 and name hd2 ) 0.0 0.0 7.0 !a vw assign (resid 6 and name hg* ) (resid 2 and name hd2 ) 0.0 0.0 7.0 !a vw !residue Gly3 assign (resid 2 and name ha ) (resid 3 and name hn ) 0.0 0.0 3.5 ! a57 m assign (resid 3 and name ha* ) (resid 3 and name hn ) 0.0 0.0 4.5 ! a58 m-s assign (resid 4 and name hb* ) (resid 3 and name hn ) 0.0 0.0 6.0 ! a61 vw assign (resid 1 and name hd* ) (resid 3 and name hn ) 0.0 0.0 6.0 ! a62 vw assign (resid 2 and name hb1 ) (resid 3 and name hn ) 0.0 0.0 5.0 ! a59 w assign (resid 2 and name hb2 ) (resid 3 and name hn ) 0.0 0.0 5.0 ! a60 w assign (resid 1 and name hb* ) (resid 3 and name hn ) 0.0 0.0 7.0 ! a63 vw assign 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hb2 ) (resid 4 and name hn ) 0.0 0.0 5.0 ! a117 s assign (resid 19 and name hg* ) (resid 4 and name hn ) 0.0 0.0 6.0 ! a118 vw assign (resid 6 and name hb* ) (resid 4 and name hn ) 0.0 0.0 7.0 ! a120 vw assign (resid 1 and name hb2 ) (resid 4 and name hn ) 0.0 0.0 6.0 ! a121 vw assign (resid 3 and name hn ) (resid 4 and name hn ) 0.0 0.0 2.7 ! b22 s assign (resid 10 and name ha1 ) (resid 4 and name ha ) 0.0 0.0 6.0 ! c1 w assign (resid 10 and name ha2 ) (resid 4 and name ha ) 0.0 0.0 6.0 ! c3 w assign (resid 16 and name hb1 ) (resid 4 and name ha ) 0.0 0.0 6.0 ! c4 w assign (resid 16 and name hb2 ) (resid 4 and name ha ) 0.0 0.0 6.0 ! c7 w assign (resid 4 and name hb2 ) (resid 4 and name ha ) 0.0 0.0 5.0 ! c6 w assign (resid 4 and name hb1 ) (resid 4 and name ha ) 0.0 0.0 5.0 ! c5 s assign (resid 19 and name hg* ) (resid 4 and name ha ) 0.0 0.0 7.0 ! c8 vw assign (resid 19 and name hg* ) (resid 4 and name hb1 ) 0.0 0.0 6.0 ! c89 w assign (resid 19 and name hg* ) (resid 4 and name hb2 ) 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assign (resid 7 and name ha1 ) (resid 9 and name hn ) 0.0 0.0 5.0 !a32 wm assign (resid 7 and name ha2 ) (resid 9 and name hn ) 0.0 0.0 5.0 !a34 w assign (resid 10 and name ha1 ) (resid 9 and name hn ) 0.0 0.0 6.0 ! a33 vw assign (resid 10 and name ha2 ) (resid 9 and name hn ) 0.0 0.0 6.0 ! a36 vw assign (resid 8 and name hd11 ) (resid 9 and name hn ) 0.0 0.0 5.0 ! a35 w assign (resid 8 and name hd12 ) (resid 9 and name hn ) 0.0 0.0 5.0 ! a37 w assign (resid 8 and name hb1 ) (resid 9 and name hn ) 0.0 0.0 5.0 ! a38w assign (resid 8 and name hb2 ) (resid 9 and name hn ) 0.0 0.0 5.0 ! a39 m assign (resid 9 and name hb1 ) (resid 9 and name hn ) 0.0 0.0 5.0 ! a41 w assign (resid 9 and name hb2 ) (resid 9 and name hn ) 0.0 0.0 5.0 ! a42 m assign (resid 9 and name hd1 ) (resid 9 and name hn ) 0.0 0.0 6.0 ! a43 vw assign (resid 9 and name hd2 ) (resid 9 and name hn ) 0.0 0.0 6.0 !a44 vw assign (resid 9 and name hg1 ) (resid 9 and name hn ) 0.0 0.0 5.0 !a45 w assign (resid 9 and name hg2 ) 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ha ) 0.0 0.0 5.0 ! c69 w assign (resid 14 and name hg2 ) (resid 14 and name ha ) 0.0 0.0 5.0 ! c70 w assign (resid 14 and name hd** ) (resid 14 and name hn ) 0.0 0.0 6.0 ! b9 w assign (resid 14 and name ha ) (resid 14 and name hh** ) 0.0 0.0 7.0 ! a274 vw assign (resid 14 and name hd* ) (resid 14 and name hh** ) 0.0 0.0 5.5 ! a275 m assign (resid 14 and name hb1 ) (resid 14 and name hh** ) 0.0 0.0 6.0 ! a276 w assign (resid 14 and name hb2 ) (resid 14 and name hh** ) 0.0 0.0 6.0 ! a277 w assign (resid 14 and name hg2 ) (resid 14 and name hh** ) 0.0 0.0 6.0 ! a279 w assign (resid 14 and name hg1 ) (resid 14 and name hh** ) 0.0 0.0 6.0 ! a278 w !residue GLU15 assign (resid 16 and name ha ) (resid 15 and name hn ) 0.0 0.0 6.0 !a68 vw assign (resid 13 and name ha ) (resid 15 and name hn ) 0.0 0.0 5.0 !a69 w assign (resid 15 and name ha ) (resid 15 and name hn ) 0.0 0.0 2.7 !a71 s assign (resid 14 and name ha ) (resid 15 and name hn ) 0.0 0.0 5.0 !a72 w assign (resid 13 and name hb1 ) (resid 15 and name hn ) 0.0 0.0 3.5 !a70 m assign (resid 13 and name hb2 ) (resid 15 and name hn ) 0.0 0.0 5.0 !a73 w assign (resid 15 and name hg1 ) (resid 15 and name hn ) 0.0 0.0 5.0 !a76 w assign (resid 15 and name hg2 ) (resid 15 and name hn ) 0.0 0.0 5.0 !a77 w assign (resid 15 and name hb1 ) (resid 15 and name hn ) 0.0 0.0 3.5 !a78 m assign (resid 15 and name hb2 ) (resid 15 and name hn ) 0.0 0.0 3.5 !a79 m assign (resid 14 and name hb1 ) (resid 15 and name hn ) 0.0 0.0 5.0 !a80 w assign (resid 14 and name hb2 ) (resid 15 and name hn ) 0.0 0.0 5.0 !a81 w assign (resid 14 and name hg1 ) (resid 15 and name hn ) 0.0 0.0 5.0 !a82 w assign (resid 14 and name hg2 ) (resid 15 and name hn ) 0.0 0.0 5.0 !a83 w assign (resid 16 and name hn ) (resid 15 and name hn ) 0.0 0.0 2.7 !b27 s assign (resid 17 and name hn ) (resid 15 and name hn ) 0.0 0.0 5.0 !b26 m-w assign (resid 13 and name hn ) (resid 15 and name hn ) 0.0 0.0 5.0 !b25 w assign (resid 15 and name hg* ) (resid 15 and name ha ) 0.0 0.0 6.0 !c54 OL assign (resid 15 and name hb1 ) (resid 15 and name ha ) 0.0 0.0 3.5 !c55 m assign (resid 15 and name hb2 ) (resid 15 and name ha ) 0.0 0.0 3.5 !c56 m ! residue CYS16 assign (resid 16 and name ha ) (resid 16 and name hn ) 0.0 0.0 3.5 ! a226 m assign (resid 13 and name ha ) (resid 16 and name hn ) 0.0 0.0 5.0 ! a227 w assign (resid 13 and name hb* ) (resid 16 and name hn ) 0.0 0.0 6.0 !a228 w assign (resid 15 and name ha ) (resid 16 and name hn ) 0.0 0.0 5.0 ! a229 w assign (resid 14 and name ha ) (resid 16 and name hn ) 0.0 0.0 5.0 ! a230 w assign (resid 13 and name hb2 ) (resid 16 and name hn ) 0.0 0.0 5.0 !a231 w assign (resid 18 and name hd11 ) (resid 16 and name hn ) 0.0 0.0 5.0 !a232 w assign (resid 18 and name hd12 ) (resid 16 and name hn ) 0.0 0.0 5.0 !a234 w assign (resid 16 and name hb1 ) (resid 16 and name hn ) 0.0 0.0 5.0 !a233 w assign (resid 16 and name hb2 ) (resid 16 and name hn ) 0.0 0.0 5.0 !a234 s assign (resid 4 and name hb1 ) (resid 16 and name hn ) 0.0 0.0 6.0 ! a235 w assign (resid 4 and name hb2 ) (resid 16 and name hn ) 0.0 0.0 6.0 ! a236 vw assign (resid 19 and name hg* ) (resid 16 and name hn ) 0.0 0.0 6.0 !a238 w assign (resid 15 and name hg1 ) (resid 16 and name hn ) 0.0 0.0 5.0 !a239 w assign (resid 15 and name hg2 ) (resid 16 and name hn ) 0.0 0.0 5.0 !a240 w assign (resid 15 and name hb1 ) (resid 16 and name hn ) 0.0 0.0 5.0 !a241 w assign (resid 15 and name hb2 ) (resid 16 and name hn ) 0.0 0.0 5.0 !a242 w assign (resid 14 and name hb1 ) (resid 16 and name hn ) 0.0 0.0 6.0 !a243 vw assign (resid 14 and name hb2 ) (resid 16 and name hn ) 0.0 0.0 6.0 !a245 vw assign (resid 17 and name hb* ) (resid 16 and name hn ) 0.0 0.0 7.0 !a244 vw assign (resid 17 and name hg1 ) (resid 16 and name hn ) 0.0 0.0 6.0 !a246 vw assign (resid 17 and name hg2 ) (resid 16 and name hn ) 0.0 0.0 6.0 !a247 vw assign (resid 15 and name ha ) (resid 16 and name ha ) 0.0 0.0 6.0 !c9 vw assign (resid 16 and name hb1 ) (resid 16 and name ha ) 0.0 0.0 5.0 !c10 s assign (resid 16 and name hb2 ) (resid 16 and name ha ) 0.0 0.0 5.0 !c12 w assign (resid 19 and name hb2 ) (resid 16 and name hb1 ) 0.0 0.0 6.0 !c vw assign (resid 19 and name hb2 ) (resid 16 and name hb2 ) 0.0 0.0 6.0 !c vw assign (resid 19 and name hg* ) (resid 16 and name hb1 ) 0.0 0.0 6.0 !c vw assign (resid 19 and name hg* ) (resid 16 and name hb2 ) 0.0 0.0 6.0 !c vw !residue ARG17 assign (resid 16 and name ha ) (resid 17 and name hn ) 0.0 0.0 5.0 !a153 w-m assign (resid 18 and name ha ) (resid 17 and name hn ) 0.0 0.0 6.0 !a154 SD assign (resid 18 and name hg ) (resid 17 and name hn ) 0.0 0.0 5.0 !a 155 w assign (resid 13 and name hb1 ) (resid 17 and name hn ) 0.0 0.0 6.0 !a 156 vw assign (resid 15 and name ha ) (resid 17 and name hn ) 0.0 0.0 5.0 !a158a w assign (resid 17 and name ha ) (resid 17 and name hn ) 0.0 0.0 3.5 !a158 m assign (resid 14 and name ha ) (resid 17 and name hn ) 0.0 0.0 5.0 !a159 w assign (resid 18 and name hd11 ) (resid 17 and name hn ) 0.0 0.0 5.0 !a160 m assign (resid 18 and name hd12 ) (resid 17 and name hn ) 0.0 0.0 5.0 !a163 m assign (resid 16 and name hb1 ) (resid 17 and name hn ) 0.0 0.0 5.0 !a161 w assign (resid 16 and name hb2 ) (resid 17 and name hn ) 0.0 0.0 5.0 !a167 m assign (resid 22 and name hb1 ) (resid 17 and name hn ) 0.0 0.0 5.0 !a162 w assign (resid 22 and name hb2 ) (resid 17 and name hn ) 0.0 0.0 6.0 !a166 vw assign (resid 22 and name hb2 ) (resid 17 and name hn ) 0.0 0.0 6.0 !a166 vw assign (resid 17 and name hd1 ) (resid 17 and name hn ) 0.0 0.0 6.0 !a164 vw assign (resid 17 and name hd2 ) (resid 17 and name hn ) 0.0 0.0 6.0 !a165 vw assign (resid 19 and name hg* ) (resid 17 and name hn ) 0.0 0.0 6.0 !a168 vw assign (resid 19 and name hb* ) (resid 17 and name hn ) 0.0 0.0 7.0 !a170 vw assign (resid 15 and name hb* ) (resid 17 and name hn ) 0.0 0.0 7.0 !a171 vw assign (resid 17 and name hb1 ) (resid 17 and name hn ) 0.0 0.0 5.0 !a172 m-w assign (resid 17 and name hb2 ) (resid 17 and name hn ) 0.0 0.0 5.0 !a173 m-w assign (resid 17 and name hg1 ) (resid 17 and name hn ) 0.0 0.0 5.0 !a174 w assign (resid 17 and name hg2 ) (resid 17 and name hn ) 0.0 0.0 5.0 !a175 w assign (resid 16 and name hn ) (resid 17 and name hn ) 0.0 0.0 2.7 !b s assign (resid 18 and name hd11 ) (resid 17 and name ha ) 0.0 0.0 5.0 !c47 OL assign (resid 18 and name hd12 ) (resid 17 and name ha ) 0.0 0.0 5.0 !c48 m assign (resid 17 and name hb* ) (resid 17 and name ha ) 0.0 0.0 4.5 !c61 m assign (resid 17 and name hg* ) (resid 17 and name ha ) 0.0 0.0 6.0 !c62 w assign (resid 12 and name ha ) (resid 17 and name hh** ) 0.0 0.0 7.0 !a289 w assign (resid 17 and name hd* ) (resid 17 and name hh** ) 0.0 0.0 7.0 !a290 w assign (resid 14 and name hd* ) (resid 17 and name hh** ) 0.0 0.0 7.0 !a291 w assign (resid 12 and name hb* ) (resid 17 and name hh** ) 0.0 0.0 8.0 !a292 vw assign (resid 18 and name hd11 ) (resid 17 and name hh** ) 0.0 0.0 7.0 !a293 vw assign (resid 18 and name hd12 ) (resid 17 and name hh** ) 0.0 0.0 7.0 !a295 vw assign (resid 22 and name hb1 ) (resid 17 and name hh** ) 0.0 0.0 7.0 !a294 vw assign (resid 22 and name hb2 ) (resid 17 and name hh** ) 0.0 0.0 7.0 !a297 vw assign (resid 17 and name hb1 ) (resid 17 and name hh** ) 0.0 0.0 6.0 !a298 w assign (resid 17 and name hb2 ) (resid 17 and name hh** ) 0.0 0.0 6.0 !a299 w assign (resid 17 and name hg1 ) (resid 17 and name hh** ) 0.0 0.0 6.0 !a300 w assign (resid 17 and name hg2 ) (resid 17 and name hh** ) 0.0 0.0 6.0 !a301 w !residue 18 assign (resid 18 and name hb1 ) (resid 18 and name ha ) 0.0 0.0 3.5 ! c27 OL assign (resid 18 and name hb2 ) (resid 18 and name ha ) 0.0 0.0 3.5 ! c28 m assign (resid 18 and name hb* ) (resid 18 and name hg ) 0.0 0.0 3.7 ! c31 s assign (resid 18 and name hd11 ) (resid 18 and name ha ) 0.0 0.0 5.0 ! c23 w assign (resid 18 and name hd12 ) (resid 18 and name ha ) 0.0 0.0 5.0 ! c25 w assign (resid 18 and name hd12 ) (resid 18 and name hg ) 0.0 0.0 3.5 ! c30 s assign (resid 18 and name hd11 ) (resid 18 and name hg ) 0.0 0.0 3.5 ! c29 m assign (resid 18 and name hb2 ) (resid 18 and name hd11 ) 0.0 0.0 5.0 !c74 s assign (resid 18 and name hb1 ) (resid 18 and name hd11 ) 0.0 0.0 5.0 !c73 w assign (resid 18 and name hb1 ) (resid 18 and name hd12 ) 0.0 0.0 5.0 !c98 w assign (resid 18 and name hb2 ) (resid 18 and name hd12 ) 0.0 0.0 5.0 !c99 w assign (resid 17 and name hg* ) (resid 18 and name hd11 ) 0.0 0.0 6.0 !c75 w assign (resid 17 and name hg* ) (resid 18 and name hd12 ) 0.0 0.0 6.0 !c w !residue GLn19 assign (resid 19 and name ha ) (resid 19 and name hn ) 0.0 0.0 3.5 ! a140 m assign (resid 16 and name ha ) (resid 19 and name hn ) 0.0 0.0 5.0 ! a136 w-m assign (resid 17 and name ha ) (resid 19 and name hn ) 0.0 0.0 5.0 ! a OL assign (resid 18 and name ha ) (resid 19 and name hn ) 0.0 0.0 4.2 !a137 w-m assign (resid 18 and name hg ) (resid 19 and name hn ) 0.0 0.0 5.0 !a138 w assign (resid 20 and name ha ) (resid 19 and name hn ) 0.0 0.0 6.0 !a139 vw SD assign (resid 18 and name hd11 ) (resid 19 and name hn ) 0.0 0.0 5.0 !a141 w assign (resid 18 and name hd12 ) (resid 19 and name hn ) 0.0 0.0 5.0 !a144 m assign (resid 16 and name hb1 ) (resid 19 and name hn ) 0.0 0.0 6.0 !a142 vw assign (resid 16 and name hb2 ) (resid 19 and name hn ) 0.0 0.0 6.0 !a146 vw assign (resid 22 and name hb1 ) (resid 19 and name hn ) 0.0 0.0 5.0 !a143 w assign (resid 22 and name hb2 ) (resid 19 and name hn ) 0.0 0.0 5.0 !a145 w assign (resid 19 and name hg* ) (resid 19 and name hn ) 0.0 0.0 4.5 !a147 m assign (resid 19 and name hb1 ) (resid 19 and name hn ) 0.0 0.0 5.0 !a148 w assign (resid 19 and name hb2 ) (resid 19 and name hn ) 0.0 0.0 5.0 !a149 s assign (resid 17 and name hb1 ) (resid 19 and name hn ) 0.0 0.0 6.0 !a150 w assign (resid 17 and name hb2 ) (resid 19 and name hn ) 0.0 0.0 6.0 !a151 w assign (resid 17 and name hn ) (resid 19 and name hn ) 0.0 0.0 5.0 !b w assign (resid 22 and name hn ) (resid 19 and name hn ) 0.0 0.0 5.0 !b36 w assign (resid 22 and name hb1 ) (resid 19 and name ha ) 0.0 0.0 5.0 !c49 w assign (resid 22 and name hb2 ) (resid 19 and name ha ) 0.0 0.0 5.0 !c53 w assign (resid 19 and name hg* ) (resid 19 and name ha ) 0.0 0.0 4.5 !c50 m assign (resid 19 and name hb1 ) (resid 19 and name ha ) 0.0 0.0 5.0 !c51 OL assign (resid 19 and name hb2 ) (resid 19 and name ha ) 0.0 0.0 5.0 !c52 w !side chain amide assign (resid 16 and name ha ) (resid 19 and name he21 ) 0.0 0.0 6.0 !a248 w assign (resid 16 and name ha ) (resid 19 and name he22 ) 0.0 0.0 6.0 !a302 w assign (resid 19 and name ha ) (resid 19 and name he21 ) 0.0 0.0 6.0 !a250 vw assign (resid 19 and name ha ) (resid 19 and name he22 ) 0.0 0.0 6.0 !a303 vw assign (resid 18 and name hg ) (resid 19 and name he2* ) 0.0 0.0 7.0 !a262 vw assign (resid 18 and name hd1* ) (resid 19 and name he2* ) 0.0 0.0 7.0 !a251 vw assign (resid 18 and name hd12 ) (resid 19 and name he21 ) 0.0 0.0 6.0 !a252 vw assign (resid 18 and name hd12 ) (resid 19 and name he22 ) 0.0 0.0 6.0 !a305 vw assign (resid 1 and name hd* ) (resid 19 and name he21 ) 0.0 0.0 7.0 !a253 vw assign (resid 1 and name hd* ) (resid 19 and name he22 ) 0.0 0.0 7.0 !a306 vw assign (resid 4 and name hb1 ) (resid 19 and name he22 ) 0.0 0.0 6.0 !a307 vw assign (resid 4 and name hb2 ) (resid 19 and name he22 ) 0.0 0.0 6.0 !a308 vw assign (resid 4 and name hb1 ) (resid 19 and name he21 ) 0.0 0.0 6.0 !a254 vw assign (resid 4 and name hb2 ) (resid 19 and name he21 ) 0.0 0.0 6.0 !a255 vw assign (resid 19 and name hg* ) (resid 19 and name he21 ) 0.0 0.0 3.5 !a256 m assign (resid 19 and name hg* ) (resid 19 and name he22 ) 0.0 0.0 3.5 !a256 m assign (resid 19 and name hb1 ) (resid 19 and name he21 ) 0.0 0.0 6.0 !a257 w assign (resid 19 and name hb1 ) (resid 19 and name he22 ) 0.0 0.0 6.0 !a310 vw assign (resid 19 and name hb2 ) (resid 19 and name he21 ) 0.0 0.0 6.0 !a258 vw assign (resid 19 and name hb2 ) (resid 19 and name he22 ) 0.0 0.0 6.0 !a311 vw assign (resid 17 and name hb* ) (resid 19 and name he22 ) 0.0 0.0 7.0 !a312 vw assign (resid 17 and name hb* ) (resid 19 and name he21 ) 0.0 0.0 7.0 !a259 vw assign (resid 1 and name hb* ) (resid 19 and name he21 ) 0.0 0.0 7.0 !a260 vw assign (resid 1 and name hb* ) (resid 19 and name he22 ) 0.0 0.0 7.0 !a313 vw assign (resid 1 and name hg* ) (resid 19 and name he22 ) 0.0 0.0 7.0 !a314 vw assign (resid 1 and name hg* ) (resid 19 and name he21 ) 0.0 0.0 7.0 !a314 vw assign (resid 4 and name hn ) (resid 19 and name he2* ) 0.0 0.0 6.0 !b33 w assign (resid 19 and name hn ) (resid 19 and name he21 ) 0.0 0.0 5.0 !b40 w assign (resid 19 and name hn ) (resid 19 and name he22 ) 0.0 0.0 5.0 !b41 w !residue HIS20 assign (resid 21 and name ha ) (resid 20 and name hn ) 0.0 0.0 6.0 ! A1 vw SD assign (resid 20 and name ha ) (resid 20 and name hn ) 0.0 0.0 3.5 ! A2 m assign (resid 19 and name ha ) (resid 20 and name hn ) 0.0 0.0 2.7 ! a3 s assign (resid 20 and name hb1 ) (resid 20 and name hn ) 0.0 0.0 5.0 ! a4 s-m assign (resid 20 and name hb2 ) (resid 20 and name hn ) 0.0 0.0 5.0 ! a5 w assign (resid 21 and name hb1 ) (resid 20 and name hn ) 0.0 0.0 6.0 ! a6 vw assign (resid 19 and name hg* ) (resid 20 and name hn ) 0.0 0.0 6.0 ! a7 w assign (resid 19 and name hb1 ) (resid 20 and name hn ) 0.0 0.0 5.0 ! a8 s assign (resid 19 and name hb2 ) (resid 20 and name hn ) 0.0 0.0 5.0 ! a9 w assign (resid 20 and name hd2 ) (resid 20 and name hn ) 0.0 0.0 5.0 ! b1 w assign (resid 22 and name hn ) (resid 20 and name hn ) 0.0 0.0 5.0 ! b2 w assign (resid 19 and name hn ) (resid 20 and name hn ) 0.0 0.0 5.0 ! b3 w assign (resid 21 and name hn ) (resid 20 and name hn ) 0.0 0.0 2.7 ! b4 s !ring assign (resid 20 and name ha ) (resid 20 and name hd2 ) 0.0 0.0 5.0 ! a268 w-m assign (resid 21 and name hb1 ) (resid 20 and name hd2 ) 0.0 0.0 6.0 ! a270 vw assign (resid 21 and name hb2 ) (resid 20 and name hd2 ) 0.0 0.0 6.0 ! a273 vw assign (resid 19 and name ha ) (resid 20 and name hd2 ) 0.0 0.0 6.0 ! a269 vw assign (resid 20 and name hb1 ) (resid 20 and name hd2 ) 0.0 0.0 5.0 ! a271 w assign (resid 20 and name hb2 ) (resid 20 and name hd2 ) 0.0 0.0 5.0 ! a272 w !residue cys21 assign (resid 20 and name ha ) (resid 21 and name hn ) 0.0 0.0 5.0 ! a48 w assign (resid 21 and name ha ) (resid 21 and name hn ) 0.0 0.0 3.5 ! a47 m assign (resid 22 and name ha ) (resid 21 and name hn ) 0.0 0.0 6.0 !a46 vw SD assign (resid 21 and name hb1 ) (resid 21 and name hn ) 0.0 0.0 5.0 !a50 w assign (resid 21 and name hb2 ) (resid 21 and name hn ) 0.0 0.0 5.0 !a53 s assign (resid 20 and name hb1 ) (resid 21 and name hn ) 0.0 0.0 5.0 !a51 w assign (resid 20 and name hb2 ) (resid 21 and name hn ) 0.0 0.0 5.0 !a52 m assign (resid 19 and name hg* ) (resid 21 and name hn ) 0.0 0.0 6.0 !a54 w assign (resid 19 and name hb1 ) (resid 21 and name hn ) 0.0 0.0 5.0 !a55 m assign (resid 19 and name hb2 ) (resid 21 and name hn ) 0.0 0.0 5.0 !a56 w assign (resid 19 and name hn ) (resid 21 and name hn ) 0.0 0.0 5.0 !b17 w assign (resid 22 and name hn ) (resid 21 and name hn ) 0.0 0.0 2.7 !b18 s assign (resid 22 and name h1 ) (resid 21 and name hn ) 0.0 0.0 5.0 !b19 w assign (resid 22 and name h2 ) (resid 21 and name hn ) 0.0 0.0 5.0 !b21 w assign (resid 20 and name hd2 ) (resid 21 and name hn ) 0.0 0.0 5.0 !b20 w assign (resid 5 and name hb2 ) (resid 21 and name ha ) 0.0 0.0 6.0 !c100 w assign (resid 21 and name hb1 ) (resid 21 and name ha ) 0.0 0.0 3.5 !c101 m-s assign (resid 21 and name hb2 ) (resid 21 and name ha ) 0.0 0.0 3.5 !c102 m-s ! residue Cys22 assign (resid 22 and name ha ) (resid 22 and name hn ) 0.0 0.0 3.5 ! a186 m assign (resid 21 and name ha ) (resid 22 and name hn ) 0.0 0.0 5.0 ! a187 w assign (resid 20 and name ha ) (resid 22 and name hn ) 0.0 0.0 5.0 ! a188 w assign (resid 19 and name ha ) (resid 22 and name hn ) 0.0 0.0 5.0 ! a189a w assign (resid 21 and name hb1 ) (resid 22 and name hn ) 0.0 0.0 5.0 ! a189 w assign (resid 22 and name hb1 ) (resid 22 and name hn ) 0.0 0.0 5.0 ! a192 w assign (resid 22 and name hb2 ) (resid 22 and name hn ) 0.0 0.0 5.0 ! a193 s assign (resid 19 and name hg* ) (resid 22 and name hn ) 0.0 0.0 7.0 !a194 vw assign (resid 19 and name hb1 ) (resid 22 and name hn ) 0.0 0.0 5.0 !a195 w assign (resid 19 and name hb2 ) (resid 22 and name hn ) 0.0 0.0 5.0 !a196 w assign (resid 22 and name hb1 ) (resid 22 and name ha ) 0.0 0.0 5.0 !c16 s? assign (resid 22 and name hb2 ) (resid 22 and name ha ) 0.0 0.0 5.0 !c17 w !Terminal nH2 assign (resid 22 and name ha ) (resid 22 and name h1 ) 0.0 0.0 3.5 !a261 m-w assign (resid 22 and name ha ) (resid 22 and name h2 ) 0.0 0.0 5.0 !a283 m-w assign (resid 21 and name ha ) (resid 22 and name h1 ) 0.0 0.0 5.0 !a262 w assign (resid 21 and name ha ) (resid 22 and name h2 ) 0.0 0.0 5.0 !a284 w assign (resid 20 and name ha ) (resid 22 and name h1 ) 0.0 0.0 5.0 !a263 w assign (resid 20 and name ha ) (resid 22 and name h2 ) 0.0 0.0 5.0 !a285 w assign (resid 19 and name ha ) (resid 22 and name h1 ) 0.0 0.0 6.0 !a264 vw assign (resid 19 and name ha ) (resid 22 and name h2 ) 0.0 0.0 6.0 !a286 vw assign (resid 22 and name hb1 ) (resid 22 and name h1 ) 0.0 0.0 5.0 !a265 w assign (resid 22 and name hb1 ) (resid 22 and name h2 ) 0.0 0.0 5.0 !a287 w assign (resid 22 and name hb2 ) (resid 22 and name h1 ) 0.0 0.0 5.0 !a266 m assign (resid 22 and name hb2 ) (resid 22 and name h2 ) 0.0 0.0 5.0 !a288 m assign (resid 22 and name hn ) (resid 22 and name h1 ) 0.0 0.0 3.5 !b43 m-s assign (resid 22 and name hn ) (resid 22 and name h2 ) 0.0 0.0 3.5 !b44 m-s ! Hbonds assign (resid 16 and name O )(resid 19 and name hn ) 1.88 0.3 0.42 assign (resid 16 and name O )(resid 19 and name n ) 1.88 0.3 1.32 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 ) 1.88 0.3 1.32 assign (resid 19 and name O )(resid 22 and name hn ) 1.88 0.3 0.42 assign (resid 19 and name O )(resid 22 and name n ) 1.88 0.3 1.32 assign (resid 10 and name O )(resid 5 and name hn ) 1.88 0.3 0.42 assign (resid 10 and name O )(resid 5 and name n ) 1.88 0.3 1.32 assign (resid 7 and name O )(resid 10 and name hn ) 1.88 0.3 0.42 assign (resid 7 and name O )(resid 10 and name n ) 1.88 0.3 1.32 ! phi angles !! 1 assign (resid 5 and name C ) (resid 6 and name N ) (resid 6 and name CA) (resid 6 and name C ) 1 -120.0 30.0 2 !! 2 assign (resid 12 and name C ) (resid 13 and name N ) (resid 13 and name CA) (resid 13 and name C ) 1 -65.0 30.0 2 !! 3 assign (resid 13 and name C ) (resid 14 and name N ) (resid 14 and name CA) (resid 14 and name C ) 1 -65.0 30.0 2 !! 4 assign (resid 14 and name C ) (resid 15 and name N ) (resid 15 and name CA) (resid 15 and name C ) 1 -65.0 30.0 2 !! 5 assign (resid 15 and name C ) (resid 16 and name N ) (resid 16 and name CA) (resid 16 and name C ) 1 -120.0 30.0 2 !! 6 assign (resid 16 and name C ) (resid 17 and name N ) (resid 17 and name CA) (resid 17 and name C ) 1 -65.0 30.0 2 !! 7 assign (resid 18 and name C ) (resid 19 and name N ) (resid 19 and name CA) (resid 19 and name C ) 1 -65.0 30.0 2 !! 8 assign (resid 20 and name C ) (resid 21 and name N ) (resid 21 and name CA) (resid 21 and name C ) 1 -65.0 30.0 2 !! 9 assign (resid 8 and name C ) (resid 9 and name N ) (resid 9 and name CA) (resid 9 and name C ) 1 -120.0 30.0 2 !! 10 assign (resid 21 and name C ) (resid 22 and name N ) (resid 22 and name CA) (resid 22 and name C ) 1 -120.0 30.0 2 !! 11 assign (resid 1 and name C ) (resid 2 and name N ) (resid 2 and name CA) (resid 2 and name C ) 1 -100.0 80.0 2 !! 12 assign (resid 4 and name C ) (resid 5 and name N ) (resid 5 and name CA) (resid 5 and name C ) 1 -100.0 80.0 2 !! 13 assign (resid 10 and name C ) (resid 11 and name N ) (resid 11 and name CA) (resid 11 and name C ) 1 -100.0 80.0 2 ! chi angles !! 1 assign (resid 2 and name N ) (resid 2 and name CA) (resid 2 and name CB) (resid 2 and name CG) 1 60.0 30.0 2 !! 2 assign (resid 4 and name N ) (resid 4 and name CA) (resid 4 and name CB) (resid 4 and name SG) 1 -60.0 30.0 2 !! 3 assign (resid 5 and name N ) (resid 5 and name CA) (resid 5 and name CB) (resid 5 and name SG) 1 60.0 30.0 2 !! 4 assign (resid 21 and name N ) (resid 21 and name CA) (resid 21 and name CB) (resid 21 and name SG) 1 60.0 30.0 2 !! 5 assign (resid 11 and name N ) (resid 11 and name CA) (resid 11 and name CB) (resid 11 and name SG) 1 -60.0 30.0 2 !! 6 assign (resid 16 and name N ) (resid 16 and name CA) (resid 16 and name CB) (resid 16 and name SG) 1 -60.0 30.0 2 !! 7 assign (resid 13 and name N ) (resid 13 and name CA) (resid 13 and name CB) (resid 13 and name OG) 1 -60.0 30.0 2 !! 8 assign (resid 20 and name N ) (resid 20 and name CA) (resid 20 and name CB) (resid 20 and name CG) 1 60.0 30.0 2 assign (resid 4 and name sg) (not resid 4 and name sg) 2.02 0.1 0.1 assign (resid 5 and name sg) (not resid 5 and name sg) 2.02 0.1 0.1 assign (resid 11 and name sg) (not resid 11 and name sg) 2.02 0.1 0.1 assign (resid 16 and name sg) (not resid 16 and name sg) 2.02 0.1 0.1 assign (resid 21 and name sg) (not resid 21 and name sg) 2.02 0.1 0.1 assign (resid 22 and name sg) (not resid 22 and name sg) 2.02 0.1 0.1 Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 ARG 1 HT1 ARG 1 8.205 -9.525 -3.072 2 H2 ARG 1 HT2 ARG 1 8.772 -11.106 -2.812 3 H3 ARG 1 HT3 ARG 1 8.945 -10.379 -4.338 4 HA ARG 1 HA ARG 1 10.519 -8.801 -3.492 5 HB2 ARG 1 HB2 ARG 1 10.281 -10.324 -0.820 6 HB3 ARG 1 HB1 ARG 1 11.198 -8.863 -1.138 7 HG2 ARG 1 HG2 ARG 1 8.158 -8.948 -1.235 8 HG3 ARG 1 HG1 ARG 1 9.109 -8.438 0.144 9 HD2 ARG 1 HD2 ARG 1 8.391 -6.484 -1.128 10 HD3 ARG 1 HD1 ARG 1 10.116 -6.724 -1.086 11 HE ARG 1 HE ARG 1 10.069 -6.874 -3.427 12 HH11 ARG 1 HH11 ARG 1 6.927 -7.549 -2.130 13 HH12 ARG 1 HH12 ARG 1 6.186 -7.669 -3.690 14 HH21 ARG 1 HH21 ARG 1 9.159 -7.020 -5.405 15 HH22 ARG 1 HH22 ARG 1 7.470 -7.365 -5.576 16 H HIS 2 HN HIS 2 10.480 -10.781 -5.081 17 HA HIS 2 HA HIS 2 12.015 -13.089 -4.407 18 HB2 HIS 2 HB2 HIS 2 12.095 -13.441 -6.874 19 HB3 HIS 2 HB1 HIS 2 10.482 -12.983 -6.356 20 HD1 HIS 2 HD1 HIS 2 11.239 -12.393 -9.191 21 HD2 HIS 2 HD2 HIS 2 11.842 -9.613 -6.260 22 HE1 HIS 2 HE1 HIS 2 11.352 -10.203 -10.316 23 H GLY 3 HN GLY 3 13.183 -10.045 -4.324 24 HA2 GLY 3 HA2 GLY 3 15.931 -10.957 -4.448 25 HA3 GLY 3 HA1 GLY 3 15.525 -10.009 -5.884 26 H CYS 4 HN CYS 4 13.647 -8.321 -4.573 27 HA CYS 4 HA CYS 4 15.406 -6.348 -3.555 28 HB2 CYS 4 HB2 CYS 4 12.415 -6.571 -3.936 29 HB3 CYS 4 HB1 CYS 4 13.278 -5.124 -3.498 30 H CYS 5 HN CYS 5 14.328 -5.194 -1.371 31 HA CYS 5 HA CYS 5 15.059 -6.124 0.930 32 HB2 CYS 5 HB2 CYS 5 13.216 -5.185 2.157 33 HB3 CYS 5 HB1 CYS 5 13.786 -4.166 0.886 34 H LYS 6 HN LYS 6 15.171 -8.262 0.314 35 HA LYS 6 HA LYS 6 13.470 -9.968 2.085 36 HB2 LYS 6 HB2 LYS 6 12.887 -10.147 -0.440 37 HB3 LYS 6 HB1 LYS 6 14.484 -10.808 -0.693 38 HG2 LYS 6 HG2 LYS 6 12.231 -12.012 0.944 39 HG3 LYS 6 HG1 LYS 6 12.829 -12.594 -0.590 40 HD2 LYS 6 HD2 LYS 6 15.042 -13.124 0.505 41 HD3 LYS 6 HD1 LYS 6 14.326 -12.655 2.044 42 HE2 LYS 6 HE2 LYS 6 13.245 -14.885 0.298 43 HE3 LYS 6 HE1 LYS 6 14.167 -15.084 1.781 44 HZ1 LYS 6 HZ1 LYS 6 12.352 -13.604 2.794 45 HZ2 LYS 6 HZ2 LYS 6 12.004 -15.240 2.492 46 HZ3 LYS 6 HZ3 LYS 6 11.446 -14.039 1.425 47 H GLY 7 HN GLY 7 16.340 -9.335 0.182 48 HA2 GLY 7 HA2 GLY 7 18.090 -10.753 2.161 49 HA3 GLY 7 HA1 GLY 7 18.421 -10.721 0.431 50 HA HYP 8 HA HYP 8 20.439 -7.335 2.908 51 HB2 HYP 8 HB2 HYP 8 23.066 -7.828 2.554 52 HB3 HYP 8 HB1 HYP 8 22.089 -8.780 3.671 53 HG HYP 8 HG HYP 8 22.901 -9.458 0.824 54 HD22 HYP 8 HD11 HYP 8 20.650 -11.020 2.077 55 HD23 HYP 8 HD12 HYP 8 20.856 -10.513 0.392 56 HD1 HYP 8 HD2 HYP 8 22.900 -10.729 3.329 57 H LYS 9 HN LYS 9 20.141 -7.941 -0.268 58 HA LYS 9 HA LYS 9 21.224 -5.290 -1.120 59 HB2 LYS 9 HB2 LYS 9 21.217 -7.900 -2.747 60 HB3 LYS 9 HB1 LYS 9 21.824 -6.359 -3.319 61 HG2 LYS 9 HG2 LYS 9 22.980 -7.952 -1.001 62 HG3 LYS 9 HG1 LYS 9 23.647 -7.884 -2.617 63 HD2 LYS 9 HD2 LYS 9 24.072 -5.469 -2.409 64 HD3 LYS 9 HD1 LYS 9 23.337 -5.429 -0.818 65 HE2 LYS 9 HE2 LYS 9 25.799 -7.057 -1.567 66 HE3 LYS 9 HE1 LYS 9 25.803 -5.560 -0.643 67 HZ1 LYS 9 HZ1 LYS 9 24.138 -6.853 0.843 68 HZ2 LYS 9 HZ2 LYS 9 25.809 -7.111 1.002 69 HZ3 LYS 9 HZ3 LYS 9 24.856 -8.220 0.140 70 H GLY 10 HN GLY 10 18.826 -5.991 -0.013 71 HA2 GLY 10 HA2 GLY 10 16.788 -6.574 -1.923 72 HA3 GLY 10 HA1 GLY 10 16.572 -5.975 -0.291 73 H CYS 11 HN CYS 11 17.676 -3.536 -0.324 74 HA CYS 11 HA CYS 11 15.833 -2.062 -2.175 75 HB2 CYS 11 HB2 CYS 11 17.491 -0.968 0.099 76 HB3 CYS 11 HB1 CYS 11 16.279 -0.134 -0.819 77 H SER 12 HN SER 12 18.339 -3.333 -2.999 78 HA SER 12 HA SER 12 20.350 -1.288 -3.433 79 HB2 SER 12 HB2 SER 12 19.926 -3.996 -4.764 80 HB3 SER 12 HB1 SER 12 21.390 -3.003 -4.925 81 HG SER 12 HG SER 12 20.228 -3.967 -2.526 82 H SER 13 HN SER 13 17.607 -2.464 -5.213 83 HA SER 13 HA SER 13 18.290 -0.826 -7.576 84 HB2 SER 13 HB2 SER 13 16.030 -2.805 -7.087 85 HB3 SER 13 HB1 SER 13 16.398 -2.027 -8.617 86 HG SER 13 HG SER 13 18.571 -2.864 -8.348 87 H ARG 14 HN ARG 14 16.545 0.365 -8.595 88 HA ARG 14 HA ARG 14 15.335 2.230 -6.683 89 HB2 ARG 14 HB2 ARG 14 16.417 3.106 -8.764 90 HB3 ARG 14 HB1 ARG 14 15.324 2.153 -9.745 91 HG2 ARG 14 HG2 ARG 14 14.586 4.517 -9.630 92 HG3 ARG 14 HG1 ARG 14 13.386 3.467 -8.910 93 HD2 ARG 14 HD2 ARG 14 14.242 4.051 -6.632 94 HD3 ARG 14 HD1 ARG 14 15.461 5.097 -7.344 95 HE ARG 14 HE ARG 14 12.604 5.649 -7.062 96 HH11 ARG 14 HH11 ARG 14 15.518 6.406 -8.781 97 HH12 ARG 14 HH12 ARG 14 14.962 7.976 -9.253 98 HH21 ARG 14 HH21 ARG 14 11.885 7.634 -7.649 99 HH22 ARG 14 HH22 ARG 14 12.879 8.680 -8.606 100 H GLU 15 HN GLU 15 14.714 -0.351 -8.745 101 HA GLU 15 HA GLU 15 11.925 -0.329 -9.006 102 HB2 GLU 15 HB2 GLU 15 13.492 -1.498 -10.517 103 HB3 GLU 15 HB1 GLU 15 14.026 -2.523 -9.196 104 HG2 GLU 15 HG2 GLU 15 11.780 -3.459 -8.988 105 HG3 GLU 15 HG1 GLU 15 11.219 -2.419 -10.302 106 H CYS 16 HN CYS 16 14.150 -1.425 -6.607 107 HA CYS 16 HA CYS 16 12.195 -3.001 -5.108 108 HB2 CYS 16 HB2 CYS 16 15.064 -2.305 -4.462 109 HB3 CYS 16 HB1 CYS 16 14.069 -3.373 -3.606 110 H ARG 17 HN ARG 17 13.908 0.120 -4.693 111 HA ARG 17 HA ARG 17 13.453 0.871 -2.152 112 HB2 ARG 17 HB2 ARG 17 12.741 2.502 -4.575 113 HB3 ARG 17 HB1 ARG 17 12.854 3.161 -2.956 114 HG2 ARG 17 HG2 ARG 17 15.283 1.688 -3.713 115 HG3 ARG 17 HG1 ARG 17 14.863 2.866 -4.934 116 HD2 ARG 17 HD2 ARG 17 16.314 3.943 -3.257 117 HD3 ARG 17 HD1 ARG 17 14.710 4.665 -3.247 118 HE ARG 17 HE ARG 17 14.386 3.809 -1.089 119 HH11 ARG 17 HH11 ARG 17 16.947 2.181 -2.737 120 HH12 ARG 17 HH12 ARG 17 17.418 1.250 -1.357 121 HH21 ARG 17 HH21 ARG 17 14.926 2.637 0.678 122 HH22 ARG 17 HH22 ARG 17 16.238 1.502 0.624 123 HA HYP 18 HA HYP 18 8.887 1.976 -2.535 124 HB2 HYP 18 HB2 HYP 18 7.318 1.136 -4.631 125 HB3 HYP 18 HB1 HYP 18 8.299 2.600 -4.657 126 HG HYP 18 HG HYP 18 9.040 -0.168 -5.703 127 HD22 HYP 18 HD11 HYP 18 10.986 2.110 -5.238 128 HD23 HYP 18 HD12 HYP 18 11.345 0.382 -5.378 129 HD1 HYP 18 HD2 HYP 18 9.324 2.449 -6.757 130 H GLN 19 HN GLN 19 10.056 -0.936 -2.176 131 HA GLN 19 HA GLN 19 7.820 -2.706 -2.124 132 HB2 GLN 19 HB2 GLN 19 10.410 -2.729 -0.679 133 HB3 GLN 19 HB1 GLN 19 9.248 -4.039 -0.575 134 HG2 GLN 19 HG2 GLN 19 9.492 -4.593 -2.885 135 HG3 GLN 19 HG1 GLN 19 10.332 -3.101 -3.270 136 HE21 GLN 19 HE21 GLN 19 12.192 -2.723 -1.861 137 HE22 GLN 19 HE22 GLN 19 13.305 -3.962 -1.703 138 H HIS 20 HN HIS 20 6.709 -3.586 -0.427 139 HA HIS 20 HA HIS 20 5.686 -1.753 1.528 140 HB2 HIS 20 HB2 HIS 20 4.486 -3.771 2.415 141 HB3 HIS 20 HB1 HIS 20 4.409 -3.756 0.657 142 HD1 HIS 20 HD1 HIS 20 5.634 -5.803 3.392 143 HD2 HIS 20 HD2 HIS 20 6.392 -5.542 -0.607 144 HE1 HIS 20 HE1 HIS 20 6.817 -7.877 2.770 145 H CYS 21 HN CYS 21 8.259 -3.990 1.388 146 HA CYS 21 HA CYS 21 8.888 -3.832 4.270 147 HB2 CYS 21 HB2 CYS 21 10.598 -5.560 3.712 148 HB3 CYS 21 HB1 CYS 21 8.964 -6.046 3.417 149 H CYS 22 HN CYS 22 9.894 -2.419 1.275 150 HA CYS 22 HA CYS 22 12.458 -1.518 2.552 151 HB2 CYS 22 HB2 CYS 22 12.442 -2.252 0.042 152 HB3 CYS 22 HB1 CYS 22 11.551 -0.811 -0.297 153 HN1 NH2 23 HN1 NH2 23 9.241 -0.805 2.306 154 HN2 NH2 23 HN2 NH2 23 9.266 0.856 2.500 Start of MODEL 2 1 H1 ARG 1 HT1 ARG 1 11.707 -8.034 -2.059 2 H2 ARG 1 HT2 ARG 1 10.636 -8.877 -1.048 3 H3 ARG 1 HT3 ARG 1 10.036 -7.748 -2.167 4 HA ARG 1 HA ARG 1 9.770 -10.141 -2.802 5 HB2 ARG 1 HB2 ARG 1 11.513 -8.426 -4.651 6 HB3 ARG 1 HB1 ARG 1 10.507 -9.760 -5.161 7 HG2 ARG 1 HG2 ARG 1 9.500 -7.155 -3.946 8 HG3 ARG 1 HG1 ARG 1 9.400 -7.609 -5.632 9 HD2 ARG 1 HD2 ARG 1 8.014 -9.053 -3.328 10 HD3 ARG 1 HD1 ARG 1 7.244 -8.037 -4.540 11 HE ARG 1 HE ARG 1 8.544 -9.939 -6.057 12 HH11 ARG 1 HH11 ARG 1 6.306 -10.027 -3.411 13 HH12 ARG 1 HH12 ARG 1 5.606 -11.530 -3.909 14 HH21 ARG 1 HH21 ARG 1 7.668 -11.840 -6.704 15 HH22 ARG 1 HH22 ARG 1 6.384 -12.569 -5.799 16 H HIS 2 HN HIS 2 11.094 -11.705 -4.254 17 HA HIS 2 HA HIS 2 13.140 -12.857 -2.637 18 HB2 HIS 2 HB2 HIS 2 13.499 -14.402 -4.549 19 HB3 HIS 2 HB1 HIS 2 11.788 -14.163 -4.251 20 HD1 HIS 2 HD1 HIS 2 13.035 -14.962 -7.000 21 HD2 HIS 2 HD2 HIS 2 11.770 -11.190 -6.096 22 HE1 HIS 2 HE1 HIS 2 12.562 -13.852 -9.150 23 H GLY 3 HN GLY 3 13.212 -10.479 -5.100 24 HA2 GLY 3 HA2 GLY 3 16.178 -10.538 -5.370 25 HA3 GLY 3 HA1 GLY 3 15.056 -9.580 -6.366 26 H CYS 4 HN CYS 4 13.482 -8.398 -4.495 27 HA CYS 4 HA CYS 4 15.263 -6.376 -3.358 28 HB2 CYS 4 HB2 CYS 4 12.217 -6.668 -3.409 29 HB3 CYS 4 HB1 CYS 4 13.107 -5.280 -2.944 30 H CYS 5 HN CYS 5 13.645 -5.906 -1.133 31 HA CYS 5 HA CYS 5 14.754 -6.611 1.090 32 HB2 CYS 5 HB2 CYS 5 12.619 -6.710 2.273 33 HB3 CYS 5 HB1 CYS 5 12.700 -5.442 1.094 34 H LYS 6 HN LYS 6 15.742 -8.584 0.047 35 HA LYS 6 HA LYS 6 15.087 -10.896 1.769 36 HB2 LYS 6 HB2 LYS 6 13.928 -11.330 -0.394 37 HB3 LYS 6 HB1 LYS 6 15.411 -11.033 -1.278 38 HG2 LYS 6 HG2 LYS 6 14.998 -13.406 -1.126 39 HG3 LYS 6 HG1 LYS 6 16.438 -13.025 -0.210 40 HD2 LYS 6 HD2 LYS 6 15.098 -13.064 1.907 41 HD3 LYS 6 HD1 LYS 6 13.650 -13.423 0.983 42 HE2 LYS 6 HE2 LYS 6 16.149 -15.166 1.116 43 HE3 LYS 6 HE1 LYS 6 14.636 -15.486 1.955 44 HZ1 LYS 6 HZ1 LYS 6 13.573 -15.459 -0.302 45 HZ2 LYS 6 HZ2 LYS 6 14.606 -16.770 0.018 46 HZ3 LYS 6 HZ3 LYS 6 15.139 -15.486 -0.956 47 H GLY 7 HN GLY 7 17.174 -9.731 -0.808 48 HA2 GLY 7 HA2 GLY 7 19.597 -10.903 0.452 49 HA3 GLY 7 HA1 GLY 7 19.490 -10.213 -1.163 50 HA HYP 8 HA HYP 8 21.391 -7.102 1.749 51 HB2 HYP 8 HB2 HYP 8 23.712 -6.648 0.347 52 HB3 HYP 8 HB1 HYP 8 23.560 -7.869 1.609 53 HG HYP 8 HG HYP 8 23.348 -8.235 -1.396 54 HD22 HYP 8 HD11 HYP 8 22.272 -10.316 0.538 55 HD23 HYP 8 HD12 HYP 8 21.783 -9.986 -1.135 56 HD1 HYP 8 HD2 HYP 8 24.599 -9.566 0.760 57 H LYS 9 HN LYS 9 20.411 -7.436 -1.417 58 HA LYS 9 HA LYS 9 20.478 -4.524 -2.063 59 HB2 LYS 9 HB2 LYS 9 19.844 -6.971 -3.757 60 HB3 LYS 9 HB1 LYS 9 19.964 -5.336 -4.393 61 HG2 LYS 9 HG2 LYS 9 22.364 -5.254 -3.615 62 HG3 LYS 9 HG1 LYS 9 22.234 -6.916 -3.091 63 HD2 LYS 9 HD2 LYS 9 21.963 -5.965 -5.968 64 HD3 LYS 9 HD1 LYS 9 23.379 -6.717 -5.282 65 HE2 LYS 9 HE2 LYS 9 22.159 -8.396 -6.559 66 HE3 LYS 9 HE1 LYS 9 22.042 -8.809 -4.859 67 HZ1 LYS 9 HZ1 LYS 9 19.914 -7.116 -5.764 68 HZ2 LYS 9 HZ2 LYS 9 19.858 -8.574 -4.892 69 HZ3 LYS 9 HZ3 LYS 9 19.983 -8.597 -6.584 70 H GLY 10 HN GLY 10 18.924 -5.773 -0.046 71 HA2 GLY 10 HA2 GLY 10 16.310 -6.463 -0.645 72 HA3 GLY 10 HA1 GLY 10 16.806 -5.692 0.851 73 H CYS 11 HN CYS 11 17.730 -3.318 -0.284 74 HA CYS 11 HA CYS 11 15.513 -2.056 -1.768 75 HB2 CYS 11 HB2 CYS 11 16.097 -1.164 1.084 76 HB3 CYS 11 HB1 CYS 11 14.932 -0.450 0.010 77 H SER 12 HN SER 12 17.792 -2.236 -2.761 78 HA SER 12 HA SER 12 19.307 0.305 -2.283 79 HB2 SER 12 HB2 SER 12 20.664 -1.769 -1.929 80 HB3 SER 12 HB1 SER 12 20.260 -2.314 -3.567 81 HG SER 12 HG SER 12 21.306 -0.587 -4.404 82 H SER 13 HN SER 13 18.221 -1.996 -4.725 83 HA SER 13 HA SER 13 18.561 -0.179 -6.970 84 HB2 SER 13 HB2 SER 13 16.930 -2.772 -6.728 85 HB3 SER 13 HB1 SER 13 17.364 -1.973 -8.251 86 HG SER 13 HG SER 13 19.531 -2.196 -7.692 87 H ARG 14 HN ARG 14 16.731 0.697 -8.215 88 HA ARG 14 HA ARG 14 14.741 1.877 -6.425 89 HB2 ARG 14 HB2 ARG 14 15.793 3.110 -8.354 90 HB3 ARG 14 HB1 ARG 14 14.991 2.018 -9.460 91 HG2 ARG 14 HG2 ARG 14 13.748 4.070 -9.273 92 HG3 ARG 14 HG1 ARG 14 12.767 2.786 -8.636 93 HD2 ARG 14 HD2 ARG 14 12.644 4.759 -7.079 94 HD3 ARG 14 HD1 ARG 14 13.447 3.436 -6.269 95 HE ARG 14 HE ARG 14 15.478 4.608 -6.352 96 HH11 ARG 14 HH11 ARG 14 13.058 6.185 -8.278 97 HH12 ARG 14 HH12 ARG 14 14.001 7.622 -8.476 98 HH21 ARG 14 HH21 ARG 14 16.680 6.406 -6.601 99 HH22 ARG 14 HH22 ARG 14 16.085 7.752 -7.515 100 H GLU 15 HN GLU 15 15.111 -0.753 -8.275 101 HA GLU 15 HA GLU 15 12.504 -1.499 -9.022 102 HB2 GLU 15 HB2 GLU 15 14.506 -2.184 -10.201 103 HB3 GLU 15 HB1 GLU 15 15.165 -2.898 -8.747 104 HG2 GLU 15 HG2 GLU 15 14.401 -4.557 -10.213 105 HG3 GLU 15 HG1 GLU 15 13.438 -4.602 -8.756 106 H CYS 16 HN CYS 16 14.116 -1.501 -6.145 107 HA CYS 16 HA CYS 16 12.402 -3.436 -4.741 108 HB2 CYS 16 HB2 CYS 16 15.209 -2.638 -4.237 109 HB3 CYS 16 HB1 CYS 16 14.288 -3.690 -3.233 110 H ARG 17 HN ARG 17 14.047 -0.384 -4.371 111 HA ARG 17 HA ARG 17 13.325 0.272 -1.767 112 HB2 ARG 17 HB2 ARG 17 13.931 1.937 -4.173 113 HB3 ARG 17 HB1 ARG 17 13.683 2.656 -2.586 114 HG2 ARG 17 HG2 ARG 17 15.423 1.096 -1.679 115 HG3 ARG 17 HG1 ARG 17 15.714 0.459 -3.260 116 HD2 ARG 17 HD2 ARG 17 17.387 2.265 -2.683 117 HD3 ARG 17 HD1 ARG 17 16.426 2.693 -4.096 118 HE ARG 17 HE ARG 17 15.622 4.498 -2.871 119 HH11 ARG 17 HH11 ARG 17 16.525 1.972 -0.666 120 HH12 ARG 17 HH12 ARG 17 16.044 2.871 0.730 121 HH21 ARG 17 HH21 ARG 17 15.039 5.646 -1.140 122 HH22 ARG 17 HH22 ARG 17 15.206 4.999 0.461 123 HA HYP 18 HA HYP 18 9.408 2.577 -2.900 124 HB2 HYP 18 HB2 HYP 18 8.069 1.679 -5.253 125 HB3 HYP 18 HB1 HYP 18 8.947 3.192 -5.045 126 HG HYP 18 HG HYP 18 9.905 0.595 -6.247 127 HD22 HYP 18 HD11 HYP 18 11.881 2.514 -4.968 128 HD23 HYP 18 HD12 HYP 18 12.074 0.780 -5.286 129 HD1 HYP 18 HD2 HYP 18 10.852 1.974 -7.655 130 H GLN 19 HN GLN 19 10.098 -0.439 -2.367 131 HA GLN 19 HA GLN 19 7.509 -1.679 -2.381 132 HB2 GLN 19 HB2 GLN 19 10.237 -2.536 -1.403 133 HB3 GLN 19 HB1 GLN 19 8.826 -3.480 -1.078 134 HG2 GLN 19 HG2 GLN 19 10.304 -4.034 -3.130 135 HG3 GLN 19 HG1 GLN 19 8.581 -4.198 -3.313 136 HE21 GLN 19 HE21 GLN 19 10.816 -3.830 -5.207 137 HE22 GLN 19 HE22 GLN 19 10.386 -2.515 -6.183 138 H HIS 20 HN HIS 20 6.366 -2.535 -0.743 139 HA HIS 20 HA HIS 20 5.898 -0.701 1.435 140 HB2 HIS 20 HB2 HIS 20 4.222 -2.471 2.146 141 HB3 HIS 20 HB1 HIS 20 4.056 -2.024 0.455 142 HD1 HIS 20 HD1 HIS 20 4.133 -3.963 -1.088 143 HD2 HIS 20 HD2 HIS 20 5.914 -4.950 2.441 144 HE1 HIS 20 HE1 HIS 20 4.714 -6.355 -1.251 145 H CYS 21 HN CYS 21 7.814 -3.483 0.917 146 HA CYS 21 HA CYS 21 8.355 -3.997 3.760 147 HB2 CYS 21 HB2 CYS 21 9.858 -5.757 2.853 148 HB3 CYS 21 HB1 CYS 21 8.285 -5.877 2.117 149 H CYS 22 HN CYS 22 9.292 -2.040 1.302 150 HA CYS 22 HA CYS 22 11.875 -1.170 2.474 151 HB2 CYS 22 HB2 CYS 22 10.592 -1.016 -0.228 152 HB3 CYS 22 HB1 CYS 22 11.912 -0.053 0.009 153 HN1 NH2 23 HN1 NH2 23 8.728 -0.666 2.818 154 HN2 NH2 23 HN2 NH2 23 8.628 1.003 2.955 Start of MODEL 3 1 H1 ARG 1 HT1 ARG 1 9.007 -8.208 -6.723 2 H2 ARG 1 HT2 ARG 1 10.556 -7.692 -7.194 3 H3 ARG 1 HT3 ARG 1 9.421 -6.561 -6.629 4 HA ARG 1 HA ARG 1 10.802 -6.848 -4.830 5 HB2 ARG 1 HB2 ARG 1 8.379 -7.181 -4.258 6 HB3 ARG 1 HB1 ARG 1 8.589 -8.909 -4.451 7 HG2 ARG 1 HG2 ARG 1 10.340 -8.847 -2.574 8 HG3 ARG 1 HG1 ARG 1 10.002 -7.136 -2.387 9 HD2 ARG 1 HD2 ARG 1 7.642 -7.727 -1.923 10 HD3 ARG 1 HD1 ARG 1 8.069 -9.436 -2.102 11 HE ARG 1 HE ARG 1 8.680 -7.731 0.189 12 HH11 ARG 1 HH11 ARG 1 9.589 -10.564 -1.595 13 HH12 ARG 1 HH12 ARG 1 10.389 -11.287 -0.242 14 HH21 ARG 1 HH21 ARG 1 9.684 -8.633 1.903 15 HH22 ARG 1 HH22 ARG 1 10.449 -10.180 1.763 16 H HIS 2 HN HIS 2 10.616 -9.515 -6.879 17 HA HIS 2 HA HIS 2 11.739 -11.668 -5.477 18 HB2 HIS 2 HB2 HIS 2 12.412 -12.466 -7.775 19 HB3 HIS 2 HB1 HIS 2 10.757 -11.884 -7.708 20 HD1 HIS 2 HD1 HIS 2 11.708 -11.683 -10.396 21 HD2 HIS 2 HD2 HIS 2 12.737 -8.710 -7.792 22 HE1 HIS 2 HE1 HIS 2 12.318 -9.731 -11.776 23 H GLY 3 HN GLY 3 13.261 -10.542 -4.077 24 HA2 GLY 3 HA2 GLY 3 15.752 -11.078 -3.843 25 HA3 GLY 3 HA1 GLY 3 15.980 -10.148 -5.324 26 H CYS 4 HN CYS 4 13.690 -8.438 -4.238 27 HA CYS 4 HA CYS 4 15.258 -6.320 -3.116 28 HB2 CYS 4 HB2 CYS 4 12.231 -6.637 -3.262 29 HB3 CYS 4 HB1 CYS 4 13.104 -5.189 -3.000 30 H CYS 5 HN CYS 5 14.095 -5.321 -1.028 31 HA CYS 5 HA CYS 5 14.918 -6.143 1.260 32 HB2 CYS 5 HB2 CYS 5 12.815 -5.396 2.339 33 HB3 CYS 5 HB1 CYS 5 13.541 -4.319 1.196 34 H LYS 6 HN LYS 6 15.266 -8.266 0.644 35 HA LYS 6 HA LYS 6 13.955 -10.121 2.546 36 HB2 LYS 6 HB2 LYS 6 13.494 -11.871 0.951 37 HB3 LYS 6 HB1 LYS 6 12.939 -10.438 0.168 38 HG2 LYS 6 HG2 LYS 6 13.999 -11.681 -1.559 39 HG3 LYS 6 HG1 LYS 6 15.074 -10.365 -1.222 40 HD2 LYS 6 HD2 LYS 6 16.354 -12.338 -1.626 41 HD3 LYS 6 HD1 LYS 6 16.646 -11.820 -0.001 42 HE2 LYS 6 HE2 LYS 6 14.799 -14.103 -0.836 43 HE3 LYS 6 HE1 LYS 6 16.410 -14.288 -0.176 44 HZ1 LYS 6 HZ1 LYS 6 13.997 -14.058 1.188 45 HZ2 LYS 6 HZ2 LYS 6 14.953 -12.713 1.598 46 HZ3 LYS 6 HZ3 LYS 6 15.558 -14.280 1.815 47 H GLY 7 HN GLY 7 16.540 -8.907 0.686 48 HA2 GLY 7 HA2 GLY 7 18.550 -10.348 2.297 49 HA3 GLY 7 HA1 GLY 7 18.628 -10.548 0.546 50 HA HYP 8 HA HYP 8 21.173 -7.059 2.210 51 HB2 HYP 8 HB2 HYP 8 23.369 -7.424 0.498 52 HB3 HYP 8 HB1 HYP 8 23.209 -8.063 2.125 53 HG HYP 8 HG HYP 8 22.903 -9.458 -0.488 54 HD22 HYP 8 HD11 HYP 8 21.097 -10.649 1.547 55 HD23 HYP 8 HD12 HYP 8 20.790 -10.332 -0.167 56 HD1 HYP 8 HD2 HYP 8 24.380 -10.321 0.804 57 H LYS 9 HN LYS 9 20.013 -7.709 -0.898 58 HA LYS 9 HA LYS 9 20.562 -4.923 -1.874 59 HB2 LYS 9 HB2 LYS 9 19.639 -7.419 -3.399 60 HB3 LYS 9 HB1 LYS 9 20.056 -5.884 -4.135 61 HG2 LYS 9 HG2 LYS 9 21.966 -7.727 -2.611 62 HG3 LYS 9 HG1 LYS 9 21.912 -7.493 -4.344 63 HD2 LYS 9 HD2 LYS 9 22.554 -5.099 -4.068 64 HD3 LYS 9 HD1 LYS 9 22.567 -5.286 -2.323 65 HE2 LYS 9 HE2 LYS 9 24.854 -5.424 -3.174 66 HE3 LYS 9 HE1 LYS 9 24.373 -6.966 -2.487 67 HZ1 LYS 9 HZ1 LYS 9 23.659 -7.397 -4.964 68 HZ2 LYS 9 HZ2 LYS 9 25.244 -7.663 -4.422 69 HZ3 LYS 9 HZ3 LYS 9 24.862 -6.237 -5.260 70 H GLY 10 HN GLY 10 18.918 -5.434 0.148 71 HA2 GLY 10 HA2 GLY 10 16.243 -5.904 -0.322 72 HA3 GLY 10 HA1 GLY 10 16.847 -4.941 1.011 73 H CYS 11 HN CYS 11 18.011 -3.155 -1.168 74 HA CYS 11 HA CYS 11 15.643 -1.886 -2.381 75 HB2 CYS 11 HB2 CYS 11 17.241 -0.349 -0.330 76 HB3 CYS 11 HB1 CYS 11 15.890 0.245 -1.242 77 H SER 12 HN SER 12 18.622 -2.833 -2.727 78 HA SER 12 HA SER 12 20.150 -0.607 -3.623 79 HB2 SER 12 HB2 SER 12 21.155 -2.850 -3.211 80 HB3 SER 12 HB1 SER 12 20.245 -3.523 -4.574 81 HG SER 12 HG SER 12 21.862 -1.227 -4.842 82 H SER 13 HN SER 13 17.658 -2.477 -5.059 83 HA SER 13 HA SER 13 17.924 -1.222 -7.714 84 HB2 SER 13 HB2 SER 13 16.195 -3.473 -6.640 85 HB3 SER 13 HB1 SER 13 16.345 -3.014 -8.329 86 HG SER 13 HG SER 13 18.513 -3.432 -8.263 87 H ARG 14 HN ARG 14 16.033 -0.380 -8.722 88 HA ARG 14 HA ARG 14 14.542 1.520 -7.060 89 HB2 ARG 14 HB2 ARG 14 14.880 1.031 -10.016 90 HB3 ARG 14 HB1 ARG 14 13.769 2.233 -9.395 91 HG2 ARG 14 HG2 ARG 14 15.984 3.142 -10.054 92 HG3 ARG 14 HG1 ARG 14 15.574 3.482 -8.387 93 HD2 ARG 14 HD2 ARG 14 17.145 1.726 -7.622 94 HD3 ARG 14 HD1 ARG 14 17.483 1.250 -9.282 95 HE ARG 14 HE ARG 14 18.905 3.114 -9.456 96 HH11 ARG 14 HH11 ARG 14 16.827 3.440 -6.701 97 HH12 ARG 14 HH12 ARG 14 17.651 4.842 -6.107 98 HH21 ARG 14 HH21 ARG 14 19.961 4.882 -8.720 99 HH22 ARG 14 HH22 ARG 14 19.449 5.671 -7.265 100 H GLU 15 HN GLU 15 14.259 -1.361 -8.571 101 HA GLU 15 HA GLU 15 11.401 -1.589 -8.620 102 HB2 GLU 15 HB2 GLU 15 12.337 -3.982 -9.445 103 HB3 GLU 15 HB1 GLU 15 12.150 -2.652 -10.560 104 HG2 GLU 15 HG2 GLU 15 14.623 -3.476 -9.004 105 HG3 GLU 15 HG1 GLU 15 14.305 -4.007 -10.624 106 H CYS 16 HN CYS 16 13.268 -1.492 -6.307 107 HA CYS 16 HA CYS 16 12.232 -3.707 -4.617 108 HB2 CYS 16 HB2 CYS 16 14.978 -2.556 -4.628 109 HB3 CYS 16 HB1 CYS 16 14.379 -3.559 -3.371 110 H ARG 17 HN ARG 17 13.391 -0.429 -4.755 111 HA ARG 17 HA ARG 17 13.101 0.395 -2.097 112 HB2 ARG 17 HB2 ARG 17 12.384 2.212 -4.420 113 HB3 ARG 17 HB1 ARG 17 13.000 2.641 -2.844 114 HG2 ARG 17 HG2 ARG 17 15.058 1.170 -3.499 115 HG3 ARG 17 HG1 ARG 17 14.325 1.200 -5.086 116 HD2 ARG 17 HD2 ARG 17 16.012 3.015 -4.956 117 HD3 ARG 17 HD1 ARG 17 14.388 3.652 -5.217 118 HE ARG 17 HE ARG 17 14.536 4.659 -3.105 119 HH11 ARG 17 HH11 ARG 17 16.696 1.973 -3.356 120 HH12 ARG 17 HH12 ARG 17 17.342 2.164 -1.766 121 HH21 ARG 17 HH21 ARG 17 15.332 4.958 -1.094 122 HH22 ARG 17 HH22 ARG 17 16.560 3.908 -0.457 123 HA HYP 18 HA HYP 18 8.579 1.736 -2.842 124 HB2 HYP 18 HB2 HYP 18 7.161 0.435 -4.891 125 HB3 HYP 18 HB1 HYP 18 7.909 2.026 -5.017 126 HG HYP 18 HG HYP 18 9.072 -0.677 -5.808 127 HD22 HYP 18 HD11 HYP 18 10.652 1.866 -5.312 128 HD23 HYP 18 HD12 HYP 18 11.303 0.223 -5.407 129 HD1 HYP 18 HD2 HYP 18 9.449 1.804 -7.071 130 H GLN 19 HN GLN 19 9.838 -1.169 -2.244 131 HA GLN 19 HA GLN 19 7.526 -2.801 -1.863 132 HB2 GLN 19 HB2 GLN 19 10.420 -2.996 -1.162 133 HB3 GLN 19 HB1 GLN 19 9.267 -4.180 -0.619 134 HG2 GLN 19 HG2 GLN 19 10.510 -4.579 -2.883 135 HG3 GLN 19 HG1 GLN 19 8.835 -5.051 -2.755 136 HE21 GLN 19 HE21 GLN 19 10.726 -4.200 -5.020 137 HE22 GLN 19 HE22 GLN 19 9.818 -3.077 -5.900 138 H HIS 20 HN HIS 20 6.686 -3.676 -0.161 139 HA HIS 20 HA HIS 20 5.948 -1.941 1.996 140 HB2 HIS 20 HB2 HIS 20 4.736 -3.966 2.842 141 HB3 HIS 20 HB1 HIS 20 4.488 -3.795 1.109 142 HD1 HIS 20 HD1 HIS 20 5.832 -6.132 3.527 143 HD2 HIS 20 HD2 HIS 20 6.264 -5.558 -0.490 144 HE1 HIS 20 HE1 HIS 20 6.834 -8.201 2.629 145 H CYS 21 HN CYS 21 8.374 -4.286 1.472 146 HA CYS 21 HA CYS 21 9.184 -4.355 4.318 147 HB2 CYS 21 HB2 CYS 21 10.675 -6.176 3.574 148 HB3 CYS 21 HB1 CYS 21 9.002 -6.481 3.269 149 H CYS 22 HN CYS 22 9.929 -2.732 1.412 150 HA CYS 22 HA CYS 22 12.665 -1.973 2.366 151 HB2 CYS 22 HB2 CYS 22 12.377 -2.295 -0.215 152 HB3 CYS 22 HB1 CYS 22 11.239 -1.013 -0.192 153 HN1 NH2 23 HN1 NH2 23 9.380 -1.146 2.368 154 HN2 NH2 23 HN2 NH2 23 9.468 0.438 2.894 Start of MODEL 4 1 H1 ARG 1 HT1 ARG 1 11.008 -6.286 -6.620 2 H2 ARG 1 HT2 ARG 1 10.605 -7.863 -7.111 3 H3 ARG 1 HT3 ARG 1 12.073 -7.577 -6.306 4 HA ARG 1 HA ARG 1 10.671 -6.750 -4.382 5 HB2 ARG 1 HB2 ARG 1 8.526 -6.695 -5.585 6 HB3 ARG 1 HB1 ARG 1 8.635 -8.414 -5.916 7 HG2 ARG 1 HG2 ARG 1 8.834 -8.657 -3.266 8 HG3 ARG 1 HG1 ARG 1 8.293 -6.989 -3.239 9 HD2 ARG 1 HD2 ARG 1 6.359 -7.610 -4.584 10 HD3 ARG 1 HD1 ARG 1 6.953 -9.282 -4.581 11 HE ARG 1 HE ARG 1 5.620 -7.938 -2.334 12 HH11 ARG 1 HH11 ARG 1 7.840 -10.428 -3.287 13 HH12 ARG 1 HH12 ARG 1 7.620 -11.337 -1.831 14 HH21 ARG 1 HH21 ARG 1 5.327 -9.074 -0.488 15 HH22 ARG 1 HH22 ARG 1 6.174 -10.565 -0.222 16 H HIS 2 HN HIS 2 10.379 -9.725 -6.220 17 HA HIS 2 HA HIS 2 10.680 -11.558 -4.040 18 HB2 HIS 2 HB2 HIS 2 10.976 -13.257 -5.846 19 HB3 HIS 2 HB1 HIS 2 9.632 -12.179 -6.181 20 HD1 HIS 2 HD1 HIS 2 10.607 -13.342 -8.606 21 HD2 HIS 2 HD2 HIS 2 12.535 -10.042 -7.169 22 HE1 HIS 2 HE1 HIS 2 11.816 -12.349 -10.515 23 H GLY 3 HN GLY 3 12.790 -9.455 -4.857 24 HA2 GLY 3 HA2 GLY 3 15.163 -11.065 -4.033 25 HA3 GLY 3 HA1 GLY 3 15.297 -10.129 -5.517 26 H CYS 4 HN CYS 4 13.336 -8.250 -3.967 27 HA CYS 4 HA CYS 4 15.325 -6.385 -3.029 28 HB2 CYS 4 HB2 CYS 4 12.297 -6.307 -2.967 29 HB3 CYS 4 HB1 CYS 4 13.367 -4.982 -2.765 30 H CYS 5 HN CYS 5 13.998 -5.285 -0.940 31 HA CYS 5 HA CYS 5 14.919 -5.913 1.366 32 HB2 CYS 5 HB2 CYS 5 12.755 -5.244 2.392 33 HB3 CYS 5 HB1 CYS 5 13.467 -4.201 1.210 34 H LYS 6 HN LYS 6 15.305 -8.189 0.754 35 HA LYS 6 HA LYS 6 14.145 -9.839 2.932 36 HB2 LYS 6 HB2 LYS 6 13.665 -11.777 1.574 37 HB3 LYS 6 HB1 LYS 6 12.799 -10.463 0.840 38 HG2 LYS 6 HG2 LYS 6 13.603 -11.793 -0.943 39 HG3 LYS 6 HG1 LYS 6 14.649 -10.416 -0.979 40 HD2 LYS 6 HD2 LYS 6 16.474 -11.639 0.121 41 HD3 LYS 6 HD1 LYS 6 15.441 -13.047 0.294 42 HE2 LYS 6 HE2 LYS 6 16.325 -11.736 -2.329 43 HE3 LYS 6 HE1 LYS 6 16.969 -13.222 -1.661 44 HZ1 LYS 6 HZ1 LYS 6 14.943 -13.083 -3.398 45 HZ2 LYS 6 HZ2 LYS 6 14.104 -13.216 -1.929 46 HZ3 LYS 6 HZ3 LYS 6 15.246 -14.393 -2.362 47 H GLY 7 HN GLY 7 16.641 -8.749 0.994 48 HA2 GLY 7 HA2 GLY 7 18.594 -10.507 2.364 49 HA3 GLY 7 HA1 GLY 7 18.633 -10.410 0.604 50 HA HYP 8 HA HYP 8 21.475 -7.344 2.524 51 HB2 HYP 8 HB2 HYP 8 23.534 -7.841 0.603 52 HB3 HYP 8 HB1 HYP 8 23.484 -8.335 2.287 53 HG HYP 8 HG HYP 8 22.863 -9.920 -0.160 54 HD22 HYP 8 HD11 HYP 8 21.184 -10.659 2.219 55 HD23 HYP 8 HD12 HYP 8 20.797 -10.762 0.493 56 HD1 HYP 8 HD2 HYP 8 24.389 -10.226 1.797 57 H LYS 9 HN LYS 9 20.150 -7.647 -0.579 58 HA LYS 9 HA LYS 9 20.830 -4.803 -1.269 59 HB2 LYS 9 HB2 LYS 9 20.445 -5.462 -3.620 60 HB3 LYS 9 HB1 LYS 9 21.736 -6.432 -2.943 61 HG2 LYS 9 HG2 LYS 9 20.108 -8.278 -2.497 62 HG3 LYS 9 HG1 LYS 9 18.825 -7.351 -3.231 63 HD2 LYS 9 HD2 LYS 9 21.302 -8.395 -4.645 64 HD3 LYS 9 HD1 LYS 9 19.689 -9.051 -4.766 65 HE2 LYS 9 HE2 LYS 9 20.115 -7.739 -6.760 66 HE3 LYS 9 HE1 LYS 9 18.916 -6.883 -5.807 67 HZ1 LYS 9 HZ1 LYS 9 21.147 -5.803 -6.809 68 HZ2 LYS 9 HZ2 LYS 9 21.636 -6.143 -5.219 69 HZ3 LYS 9 HZ3 LYS 9 20.266 -5.171 -5.500 70 H GLY 10 HN GLY 10 18.969 -5.648 0.552 71 HA2 GLY 10 HA2 GLY 10 16.364 -6.045 -0.252 72 HA3 GLY 10 HA1 GLY 10 16.832 -5.245 1.243 73 H CYS 11 HN CYS 11 18.186 -3.177 -0.429 74 HA CYS 11 HA CYS 11 15.942 -1.762 -1.742 75 HB2 CYS 11 HB2 CYS 11 17.359 -0.634 0.679 76 HB3 CYS 11 HB1 CYS 11 16.247 0.236 -0.313 77 H SER 12 HN SER 12 17.912 -2.625 -3.082 78 HA SER 12 HA SER 12 19.870 -0.378 -3.427 79 HB2 SER 12 HB2 SER 12 20.124 -3.307 -4.154 80 HB3 SER 12 HB1 SER 12 21.367 -2.054 -4.421 81 HG SER 12 HG SER 12 21.474 -3.261 -2.375 82 H SER 13 HN SER 13 17.619 -2.523 -5.040 83 HA SER 13 HA SER 13 18.120 -1.275 -7.682 84 HB2 SER 13 HB2 SER 13 16.173 -3.510 -6.865 85 HB3 SER 13 HB1 SER 13 16.665 -3.063 -8.508 86 HG SER 13 HG SER 13 18.828 -3.434 -7.867 87 H ARG 14 HN ARG 14 16.227 -0.371 -8.831 88 HA ARG 14 HA ARG 14 14.773 1.491 -7.103 89 HB2 ARG 14 HB2 ARG 14 14.807 1.007 -10.095 90 HB3 ARG 14 HB1 ARG 14 14.026 2.371 -9.315 91 HG2 ARG 14 HG2 ARG 14 17.016 1.734 -9.200 92 HG3 ARG 14 HG1 ARG 14 16.284 2.962 -10.207 93 HD2 ARG 14 HD2 ARG 14 15.494 4.181 -8.162 94 HD3 ARG 14 HD1 ARG 14 16.219 2.946 -7.146 95 HE ARG 14 HE ARG 14 18.355 3.776 -7.624 96 HH11 ARG 14 HH11 ARG 14 15.958 5.283 -9.631 97 HH12 ARG 14 HH12 ARG 14 17.043 6.515 -10.181 98 HH21 ARG 14 HH21 ARG 14 19.730 5.307 -8.307 99 HH22 ARG 14 HH22 ARG 14 19.217 6.529 -9.423 100 H GLU 15 HN GLU 15 14.471 -1.398 -8.501 101 HA GLU 15 HA GLU 15 11.622 -1.634 -8.463 102 HB2 GLU 15 HB2 GLU 15 12.309 -3.839 -9.533 103 HB3 GLU 15 HB1 GLU 15 12.762 -2.432 -10.447 104 HG2 GLU 15 HG2 GLU 15 15.037 -2.669 -9.543 105 HG3 GLU 15 HG1 GLU 15 14.539 -4.040 -8.548 106 H CYS 16 HN CYS 16 13.324 -1.243 -6.119 107 HA CYS 16 HA CYS 16 12.445 -3.454 -4.371 108 HB2 CYS 16 HB2 CYS 16 15.280 -2.517 -4.561 109 HB3 CYS 16 HB1 CYS 16 14.671 -3.441 -3.255 110 H ARG 17 HN ARG 17 13.645 -0.231 -4.645 111 HA ARG 17 HA ARG 17 13.562 0.542 -1.905 112 HB2 ARG 17 HB2 ARG 17 12.916 2.523 -4.141 113 HB3 ARG 17 HB1 ARG 17 13.817 2.814 -2.680 114 HG2 ARG 17 HG2 ARG 17 14.651 1.168 -5.046 115 HG3 ARG 17 HG1 ARG 17 15.290 2.722 -4.677 116 HD2 ARG 17 HD2 ARG 17 15.755 0.420 -2.746 117 HD3 ARG 17 HD1 ARG 17 16.816 0.735 -4.097 118 HE ARG 17 HE ARG 17 17.675 2.585 -3.026 119 HH11 ARG 17 HH11 ARG 17 14.835 1.592 -1.318 120 HH12 ARG 17 HH12 ARG 17 15.150 2.657 0.011 121 HH21 ARG 17 HH21 ARG 17 18.098 3.865 -1.440 122 HH22 ARG 17 HH22 ARG 17 17.062 3.993 -0.055 123 HA HYP 18 HA HYP 18 9.047 1.931 -2.608 124 HB2 HYP 18 HB2 HYP 18 7.626 0.952 -4.777 125 HB3 HYP 18 HB1 HYP 18 8.499 2.485 -4.765 126 HG HYP 18 HG HYP 18 9.477 -0.247 -5.703 127 HD22 HYP 18 HD11 HYP 18 11.204 2.177 -5.131 128 HD23 HYP 18 HD12 HYP 18 11.724 0.489 -5.314 129 HD1 HYP 18 HD2 HYP 18 10.376 1.672 -7.196 130 H GLN 19 HN GLN 19 10.228 -1.066 -2.266 131 HA GLN 19 HA GLN 19 7.806 -2.618 -2.182 132 HB2 GLN 19 HB2 GLN 19 10.674 -3.031 -1.439 133 HB3 GLN 19 HB1 GLN 19 9.468 -4.193 -0.966 134 HG2 GLN 19 HG2 GLN 19 10.675 -4.503 -3.270 135 HG3 GLN 19 HG1 GLN 19 8.966 -4.853 -3.176 136 HE21 GLN 19 HE21 GLN 19 11.083 -3.726 -5.258 137 HE22 GLN 19 HE22 GLN 19 10.171 -2.546 -6.054 138 H HIS 20 HN HIS 20 6.758 -3.523 -0.634 139 HA HIS 20 HA HIS 20 6.004 -1.910 1.582 140 HB2 HIS 20 HB2 HIS 20 4.654 -3.914 2.263 141 HB3 HIS 20 HB1 HIS 20 4.513 -3.652 0.529 142 HD1 HIS 20 HD1 HIS 20 5.446 -6.199 2.865 143 HD2 HIS 20 HD2 HIS 20 6.490 -5.367 -0.989 144 HE1 HIS 20 HE1 HIS 20 6.463 -8.254 1.958 145 H CYS 21 HN CYS 21 8.400 -4.317 1.166 146 HA CYS 21 HA CYS 21 8.897 -4.505 4.092 147 HB2 CYS 21 HB2 CYS 21 10.410 -6.348 3.487 148 HB3 CYS 21 HB1 CYS 21 8.793 -6.612 2.948 149 H CYS 22 HN CYS 22 9.895 -2.802 1.379 150 HA CYS 22 HA CYS 22 12.554 -2.077 2.546 151 HB2 CYS 22 HB2 CYS 22 12.462 -2.455 -0.009 152 HB3 CYS 22 HB1 CYS 22 11.369 -1.139 -0.160 153 HN1 NH2 23 HN1 NH2 23 9.291 -1.250 2.400 154 HN2 NH2 23 HN2 NH2 23 9.374 0.345 2.891 Start of MODEL 5 1 H1 ARG 1 HT1 ARG 1 10.898 -7.275 -5.887 2 H2 ARG 1 HT2 ARG 1 9.647 -8.385 -6.196 3 H3 ARG 1 HT3 ARG 1 11.264 -8.889 -6.259 4 HA ARG 1 HA ARG 1 10.968 -7.800 -3.765 5 HB2 ARG 1 HB2 ARG 1 8.603 -9.532 -4.533 6 HB3 ARG 1 HB1 ARG 1 9.091 -9.268 -2.869 7 HG2 ARG 1 HG2 ARG 1 7.271 -7.733 -3.468 8 HG3 ARG 1 HG1 ARG 1 8.731 -6.847 -3.111 9 HD2 ARG 1 HD2 ARG 1 7.580 -5.932 -5.111 10 HD3 ARG 1 HD1 ARG 1 9.157 -6.544 -5.552 11 HE ARG 1 HE ARG 1 7.034 -8.542 -5.795 12 HH11 ARG 1 HH11 ARG 1 8.671 -5.909 -7.347 13 HH12 ARG 1 HH12 ARG 1 8.258 -6.447 -8.939 14 HH21 ARG 1 HH21 ARG 1 6.497 -9.234 -7.793 15 HH22 ARG 1 HH22 ARG 1 7.007 -8.358 -9.198 16 H HIS 2 HN HIS 2 10.794 -10.606 -5.818 17 HA HIS 2 HA HIS 2 11.760 -12.556 -3.963 18 HB2 HIS 2 HB2 HIS 2 12.273 -13.911 -5.981 19 HB3 HIS 2 HB1 HIS 2 10.709 -13.139 -6.155 20 HD1 HIS 2 HD1 HIS 2 12.431 -13.975 -8.573 21 HD2 HIS 2 HD2 HIS 2 12.344 -10.148 -7.153 22 HE1 HIS 2 HE1 HIS 2 13.121 -12.524 -10.438 23 H GLY 3 HN GLY 3 13.254 -9.860 -5.214 24 HA2 GLY 3 HA2 GLY 3 15.982 -10.879 -4.512 25 HA3 GLY 3 HA1 GLY 3 15.723 -9.893 -5.954 26 H CYS 4 HN CYS 4 13.578 -8.427 -4.290 27 HA CYS 4 HA CYS 4 15.344 -6.353 -3.280 28 HB2 CYS 4 HB2 CYS 4 12.310 -6.542 -3.187 29 HB3 CYS 4 HB1 CYS 4 13.279 -5.158 -2.984 30 H CYS 5 HN CYS 5 14.127 -5.442 -1.149 31 HA CYS 5 HA CYS 5 15.063 -6.235 1.113 32 HB2 CYS 5 HB2 CYS 5 12.935 -5.543 2.207 33 HB3 CYS 5 HB1 CYS 5 13.678 -4.450 1.092 34 H LYS 6 HN LYS 6 15.444 -8.364 0.447 35 HA LYS 6 HA LYS 6 14.140 -10.277 2.322 36 HB2 LYS 6 HB2 LYS 6 14.934 -10.930 -0.572 37 HB3 LYS 6 HB1 LYS 6 14.358 -12.094 0.596 38 HG2 LYS 6 HG2 LYS 6 12.714 -9.750 -0.449 39 HG3 LYS 6 HG1 LYS 6 12.582 -11.404 -1.001 40 HD2 LYS 6 HD2 LYS 6 11.885 -12.122 1.265 41 HD3 LYS 6 HD1 LYS 6 12.041 -10.480 1.862 42 HE2 LYS 6 HE2 LYS 6 10.326 -9.720 0.220 43 HE3 LYS 6 HE1 LYS 6 10.150 -11.374 -0.353 44 HZ1 LYS 6 HZ1 LYS 6 9.911 -11.133 2.490 45 HZ2 LYS 6 HZ2 LYS 6 8.898 -11.909 1.370 46 HZ3 LYS 6 HZ3 LYS 6 8.740 -10.241 1.643 47 H GLY 7 HN GLY 7 16.766 -8.853 0.732 48 HA2 GLY 7 HA2 GLY 7 18.731 -10.237 2.445 49 HA3 GLY 7 HA1 GLY 7 18.979 -10.308 0.696 50 HA HYP 8 HA HYP 8 20.856 -6.513 2.730 51 HB2 HYP 8 HB2 HYP 8 23.404 -6.767 1.667 52 HB3 HYP 8 HB1 HYP 8 22.896 -7.417 3.224 53 HG HYP 8 HG HYP 8 23.074 -8.828 0.542 54 HD22 HYP 8 HD11 HYP 8 21.364 -9.952 2.783 55 HD23 HYP 8 HD12 HYP 8 21.222 -10.205 1.033 56 HD1 HYP 8 HD2 HYP 8 24.672 -9.117 2.171 57 H LYS 9 HN LYS 9 20.379 -7.594 -0.441 58 HA LYS 9 HA LYS 9 20.969 -4.901 -1.616 59 HB2 LYS 9 HB2 LYS 9 22.125 -6.956 -2.536 60 HB3 LYS 9 HB1 LYS 9 20.557 -7.638 -2.924 61 HG2 LYS 9 HG2 LYS 9 20.108 -5.667 -4.450 62 HG3 LYS 9 HG1 LYS 9 21.710 -5.068 -4.074 63 HD2 LYS 9 HD2 LYS 9 21.110 -7.759 -5.364 64 HD3 LYS 9 HD1 LYS 9 21.619 -6.323 -6.219 65 HE2 LYS 9 HE2 LYS 9 23.773 -6.316 -4.959 66 HE3 LYS 9 HE1 LYS 9 23.275 -7.757 -4.083 67 HZ1 LYS 9 HZ1 LYS 9 23.684 -7.540 -7.001 68 HZ2 LYS 9 HZ2 LYS 9 23.102 -8.919 -6.197 69 HZ3 LYS 9 HZ3 LYS 9 24.673 -8.355 -5.887 70 H GLY 10 HN GLY 10 18.929 -5.421 0.132 71 HA2 GLY 10 HA2 GLY 10 16.450 -6.021 -1.192 72 HA3 GLY 10 HA1 GLY 10 16.679 -5.467 0.458 73 H CYS 11 HN CYS 11 18.208 -3.199 -1.272 74 HA CYS 11 HA CYS 11 15.814 -1.698 -2.121 75 HB2 CYS 11 HB2 CYS 11 17.582 -0.724 0.113 76 HB3 CYS 11 HB1 CYS 11 16.314 0.200 -0.606 77 H SER 12 HN SER 12 18.896 -2.473 -2.813 78 HA SER 12 HA SER 12 19.956 0.132 -3.565 79 HB2 SER 12 HB2 SER 12 21.702 -1.231 -4.744 80 HB3 SER 12 HB1 SER 12 21.413 -1.823 -3.099 81 HG SER 12 HG SER 12 20.064 -2.775 -5.408 82 H SER 13 HN SER 13 17.720 -1.997 -4.917 83 HA SER 13 HA SER 13 17.906 -0.964 -7.685 84 HB2 SER 13 HB2 SER 13 16.306 -3.170 -6.331 85 HB3 SER 13 HB1 SER 13 16.298 -2.904 -8.069 86 HG SER 13 HG SER 13 18.566 -3.119 -8.023 87 H ARG 14 HN ARG 14 15.887 -0.019 -8.664 88 HA ARG 14 HA ARG 14 14.494 1.661 -6.664 89 HB2 ARG 14 HB2 ARG 14 15.367 2.706 -8.750 90 HB3 ARG 14 HB1 ARG 14 14.368 1.646 -9.719 91 HG2 ARG 14 HG2 ARG 14 13.333 3.827 -9.508 92 HG3 ARG 14 HG1 ARG 14 12.312 2.653 -8.733 93 HD2 ARG 14 HD2 ARG 14 13.269 3.312 -6.481 94 HD3 ARG 14 HD1 ARG 14 14.254 4.533 -7.268 95 HE ARG 14 HE ARG 14 11.381 4.653 -6.743 96 HH11 ARG 14 HH11 ARG 14 13.994 5.853 -8.683 97 HH12 ARG 14 HH12 ARG 14 13.175 7.329 -9.063 98 HH21 ARG 14 HH21 ARG 14 10.333 6.507 -7.219 99 HH22 ARG 14 HH22 ARG 14 11.072 7.704 -8.228 100 H GLU 15 HN GLU 15 14.199 -1.046 -8.390 101 HA GLU 15 HA GLU 15 11.353 -1.364 -8.366 102 HB2 GLU 15 HB2 GLU 15 12.190 -3.601 -9.460 103 HB3 GLU 15 HB1 GLU 15 12.220 -2.146 -10.411 104 HG2 GLU 15 HG2 GLU 15 14.532 -3.297 -8.807 105 HG3 GLU 15 HG1 GLU 15 14.245 -3.732 -10.460 106 H CYS 16 HN CYS 16 13.211 -1.286 -6.098 107 HA CYS 16 HA CYS 16 12.296 -3.598 -4.489 108 HB2 CYS 16 HB2 CYS 16 15.068 -2.552 -4.648 109 HB3 CYS 16 HB1 CYS 16 14.532 -3.603 -3.405 110 H ARG 17 HN ARG 17 13.569 -0.308 -4.455 111 HA ARG 17 HA ARG 17 13.328 0.168 -1.679 112 HB2 ARG 17 HB2 ARG 17 13.218 2.072 -4.016 113 HB3 ARG 17 HB1 ARG 17 13.290 2.599 -2.338 114 HG2 ARG 17 HG2 ARG 17 15.321 1.245 -2.073 115 HG3 ARG 17 HG1 ARG 17 15.261 0.748 -3.723 116 HD2 ARG 17 HD2 ARG 17 16.861 2.645 -3.564 117 HD3 ARG 17 HD1 ARG 17 15.426 3.232 -4.395 118 HE ARG 17 HE ARG 17 15.042 4.637 -2.564 119 HH11 ARG 17 HH11 ARG 17 16.983 1.922 -1.642 120 HH12 ARG 17 HH12 ARG 17 17.171 2.444 -0.005 121 HH21 ARG 17 HH21 ARG 17 15.270 5.342 -0.507 122 HH22 ARG 17 HH22 ARG 17 16.190 4.426 0.647 123 HA HYP 18 HA HYP 18 8.995 2.043 -2.295 124 HB2 HYP 18 HB2 HYP 18 7.609 0.872 -4.530 125 HB3 HYP 18 HB1 HYP 18 8.117 2.546 -4.331 126 HG HYP 18 HG HYP 18 9.530 0.285 -5.748 127 HD22 HYP 18 HD11 HYP 18 11.113 2.532 -4.460 128 HD23 HYP 18 HD12 HYP 18 11.705 0.943 -4.961 129 HD1 HYP 18 HD2 HYP 18 9.254 1.754 -7.210 130 H GLN 19 HN GLN 19 10.099 -0.996 -2.062 131 HA GLN 19 HA GLN 19 7.703 -2.506 -1.767 132 HB2 GLN 19 HB2 GLN 19 10.576 -2.960 -1.103 133 HB3 GLN 19 HB1 GLN 19 9.352 -4.093 -0.635 134 HG2 GLN 19 HG2 GLN 19 10.518 -4.492 -2.903 135 HG3 GLN 19 HG1 GLN 19 8.795 -4.750 -2.800 136 HE21 GLN 19 HE21 GLN 19 10.787 -4.040 -5.004 137 HE22 GLN 19 HE22 GLN 19 10.015 -2.802 -5.852 138 H HIS 20 HN HIS 20 6.775 -3.414 -0.133 139 HA HIS 20 HA HIS 20 6.340 -1.783 2.198 140 HB2 HIS 20 HB2 HIS 20 4.826 -3.642 2.898 141 HB3 HIS 20 HB1 HIS 20 4.570 -3.278 1.201 142 HD1 HIS 20 HD1 HIS 20 5.062 -6.081 3.247 143 HD2 HIS 20 HD2 HIS 20 6.407 -5.142 -0.493 144 HE1 HIS 20 HE1 HIS 20 5.741 -8.204 2.195 145 H CYS 21 HN CYS 21 8.457 -4.352 1.337 146 HA CYS 21 HA CYS 21 9.222 -4.862 4.159 147 HB2 CYS 21 HB2 CYS 21 10.594 -6.671 3.255 148 HB3 CYS 21 HB1 CYS 21 8.941 -6.809 2.765 149 H CYS 22 HN CYS 22 10.110 -2.935 1.471 150 HA CYS 22 HA CYS 22 12.866 -2.448 2.531 151 HB2 CYS 22 HB2 CYS 22 12.581 -2.396 -0.084 152 HB3 CYS 22 HB1 CYS 22 11.523 -1.068 0.124 153 HN1 NH2 23 HN1 NH2 23 9.628 -1.446 2.622 154 HN2 NH2 23 HN2 NH2 23 9.799 0.049 3.354 Start of MODEL 6 1 H1 ARG 1 HT1 ARG 1 10.944 -6.105 -4.225 2 H2 ARG 1 HT2 ARG 1 9.974 -6.585 -5.520 3 H3 ARG 1 HT3 ARG 1 11.482 -7.335 -5.267 4 HA ARG 1 HA ARG 1 9.729 -7.445 -3.012 5 HB2 ARG 1 HB2 ARG 1 8.211 -9.168 -4.043 6 HB3 ARG 1 HB1 ARG 1 7.992 -7.571 -4.689 7 HG2 ARG 1 HG2 ARG 1 9.296 -9.922 -6.171 8 HG3 ARG 1 HG1 ARG 1 7.762 -9.180 -6.450 9 HD2 ARG 1 HD2 ARG 1 8.815 -7.081 -7.158 10 HD3 ARG 1 HD1 ARG 1 10.416 -7.783 -6.898 11 HE ARG 1 HE ARG 1 9.228 -9.611 -8.548 12 HH11 ARG 1 HH11 ARG 1 9.731 -6.182 -8.631 13 HH12 ARG 1 HH12 ARG 1 9.830 -6.122 -10.357 14 HH21 ARG 1 HH21 ARG 1 9.357 -9.557 -10.740 15 HH22 ARG 1 HH22 ARG 1 9.616 -8.057 -11.568 16 H HIS 2 HN HIS 2 10.036 -10.394 -4.790 17 HA HIS 2 HA HIS 2 11.322 -11.870 -2.910 18 HB2 HIS 2 HB2 HIS 2 11.942 -13.439 -4.727 19 HB3 HIS 2 HB1 HIS 2 10.310 -12.836 -4.907 20 HD1 HIS 2 HD1 HIS 2 12.184 -13.870 -7.213 21 HD2 HIS 2 HD2 HIS 2 11.378 -9.930 -6.518 22 HE1 HIS 2 HE1 HIS 2 12.578 -12.691 -9.341 23 H GLY 3 HN GLY 3 13.112 -10.244 -5.496 24 HA2 GLY 3 HA2 GLY 3 15.706 -11.069 -4.380 25 HA3 GLY 3 HA1 GLY 3 15.463 -10.035 -5.794 26 H CYS 4 HN CYS 4 13.549 -8.398 -4.235 27 HA CYS 4 HA CYS 4 15.406 -6.465 -3.186 28 HB2 CYS 4 HB2 CYS 4 12.380 -6.521 -3.225 29 HB3 CYS 4 HB1 CYS 4 13.362 -5.154 -2.919 30 H CYS 5 HN CYS 5 14.170 -5.423 -1.085 31 HA CYS 5 HA CYS 5 15.017 -6.183 1.226 32 HB2 CYS 5 HB2 CYS 5 12.903 -5.399 2.259 33 HB3 CYS 5 HB1 CYS 5 13.645 -4.367 1.085 34 H LYS 6 HN LYS 6 15.308 -8.362 0.545 35 HA LYS 6 HA LYS 6 14.070 -10.181 2.500 36 HB2 LYS 6 HB2 LYS 6 14.484 -10.856 -0.477 37 HB3 LYS 6 HB1 LYS 6 14.031 -12.027 0.729 38 HG2 LYS 6 HG2 LYS 6 12.248 -9.646 0.119 39 HG3 LYS 6 HG1 LYS 6 12.178 -11.105 -0.826 40 HD2 LYS 6 HD2 LYS 6 10.413 -11.113 0.866 41 HD3 LYS 6 HD1 LYS 6 11.532 -12.422 1.137 42 HE2 LYS 6 HE2 LYS 6 12.531 -11.242 3.033 43 HE3 LYS 6 HE1 LYS 6 11.504 -9.836 2.740 44 HZ1 LYS 6 HZ1 LYS 6 10.771 -11.464 4.472 45 HZ2 LYS 6 HZ2 LYS 6 10.434 -12.544 3.205 46 HZ3 LYS 6 HZ3 LYS 6 9.617 -11.059 3.293 47 H GLY 7 HN GLY 7 16.533 -9.076 0.403 48 HA2 GLY 7 HA2 GLY 7 18.631 -10.564 1.906 49 HA3 GLY 7 HA1 GLY 7 18.657 -10.518 0.145 50 HA HYP 8 HA HYP 8 20.997 -7.188 2.386 51 HB2 HYP 8 HB2 HYP 8 23.474 -7.449 1.382 52 HB3 HYP 8 HB1 HYP 8 22.827 -8.612 2.541 53 HG HYP 8 HG HYP 8 22.914 -8.831 -0.493 54 HD22 HYP 8 HD11 HYP 8 21.178 -10.720 1.100 55 HD23 HYP 8 HD12 HYP 8 20.912 -10.049 -0.519 56 HD1 HYP 8 HD2 HYP 8 23.208 -11.090 0.951 57 H LYS 9 HN LYS 9 20.103 -7.483 -0.782 58 HA LYS 9 HA LYS 9 20.901 -4.666 -1.455 59 HB2 LYS 9 HB2 LYS 9 20.991 -5.429 -3.844 60 HB3 LYS 9 HB1 LYS 9 22.139 -6.313 -2.860 61 HG2 LYS 9 HG2 LYS 9 20.555 -8.221 -2.679 62 HG3 LYS 9 HG1 LYS 9 19.364 -7.350 -3.628 63 HD2 LYS 9 HD2 LYS 9 20.947 -7.284 -5.550 64 HD3 LYS 9 HD1 LYS 9 22.127 -8.174 -4.601 65 HE2 LYS 9 HE2 LYS 9 20.532 -10.076 -4.389 66 HE3 LYS 9 HE1 LYS 9 19.335 -9.180 -5.318 67 HZ1 LYS 9 HZ1 LYS 9 21.909 -9.398 -6.590 68 HZ2 LYS 9 HZ2 LYS 9 20.350 -9.638 -7.219 69 HZ3 LYS 9 HZ3 LYS 9 21.115 -10.881 -6.352 70 H GLY 10 HN GLY 10 18.751 -5.533 0.022 71 HA2 GLY 10 HA2 GLY 10 16.358 -5.799 -1.507 72 HA3 GLY 10 HA1 GLY 10 16.489 -5.519 0.217 73 H CYS 11 HN CYS 11 18.129 -3.109 -1.137 74 HA CYS 11 HA CYS 11 15.865 -1.365 -1.871 75 HB2 CYS 11 HB2 CYS 11 17.525 -0.935 0.596 76 HB3 CYS 11 HB1 CYS 11 16.550 0.316 -0.080 77 H SER 12 HN SER 12 18.416 -2.335 -2.983 78 HA SER 12 HA SER 12 19.955 0.185 -3.331 79 HB2 SER 12 HB2 SER 12 21.643 -1.330 -4.366 80 HB3 SER 12 HB1 SER 12 21.173 -1.875 -2.744 81 HG SER 12 HG SER 12 19.549 -3.177 -3.831 82 H SER 13 HN SER 13 17.995 -2.104 -5.065 83 HA SER 13 HA SER 13 18.383 -0.722 -7.663 84 HB2 SER 13 HB2 SER 13 16.699 -3.176 -6.918 85 HB3 SER 13 HB1 SER 13 17.004 -2.599 -8.567 86 HG SER 13 HG SER 13 19.216 -2.852 -8.187 87 H ARG 14 HN ARG 14 16.573 0.235 -8.764 88 HA ARG 14 HA ARG 14 14.815 1.718 -7.030 89 HB2 ARG 14 HB2 ARG 14 15.531 2.597 -9.247 90 HB3 ARG 14 HB1 ARG 14 14.603 1.337 -10.035 91 HG2 ARG 14 HG2 ARG 14 13.333 3.497 -9.936 92 HG3 ARG 14 HG1 ARG 14 12.490 2.222 -9.090 93 HD2 ARG 14 HD2 ARG 14 12.493 4.361 -7.758 94 HD3 ARG 14 HD1 ARG 14 13.358 3.117 -6.888 95 HE ARG 14 HE ARG 14 15.153 4.609 -8.584 96 HH11 ARG 14 HH11 ARG 14 13.338 4.745 -5.636 97 HH12 ARG 14 HH12 ARG 14 14.414 5.876 -4.889 98 HH21 ARG 14 HH21 ARG 14 16.530 6.033 -7.664 99 HH22 ARG 14 HH22 ARG 14 16.255 6.619 -6.056 100 H GLU 15 HN GLU 15 14.802 -1.115 -8.786 101 HA GLU 15 HA GLU 15 12.138 -1.899 -8.964 102 HB2 GLU 15 HB2 GLU 15 13.887 -2.709 -10.386 103 HB3 GLU 15 HB1 GLU 15 14.827 -3.259 -9.021 104 HG2 GLU 15 HG2 GLU 15 13.933 -5.068 -10.109 105 HG3 GLU 15 HG1 GLU 15 13.158 -4.993 -8.557 106 H CYS 16 HN CYS 16 14.004 -1.578 -6.331 107 HA CYS 16 HA CYS 16 12.540 -3.497 -4.604 108 HB2 CYS 16 HB2 CYS 16 15.384 -2.605 -4.424 109 HB3 CYS 16 HB1 CYS 16 14.597 -3.593 -3.259 110 H ARG 17 HN ARG 17 13.697 -0.275 -4.774 111 HA ARG 17 HA ARG 17 13.558 0.676 -2.175 112 HB2 ARG 17 HB2 ARG 17 12.471 2.388 -4.470 113 HB3 ARG 17 HB1 ARG 17 13.332 2.894 -3.053 114 HG2 ARG 17 HG2 ARG 17 14.492 1.221 -5.240 115 HG3 ARG 17 HG1 ARG 17 14.718 2.941 -5.148 116 HD2 ARG 17 HD2 ARG 17 15.783 0.921 -3.149 117 HD3 ARG 17 HD1 ARG 17 16.711 1.782 -4.363 118 HE ARG 17 HE ARG 17 16.321 3.859 -3.220 119 HH11 ARG 17 HH11 ARG 17 15.098 1.073 -1.570 120 HH12 ARG 17 HH12 ARG 17 14.900 1.907 -0.072 121 HH21 ARG 17 HH21 ARG 17 16.124 4.916 -1.381 122 HH22 ARG 17 HH22 ARG 17 15.520 4.140 0.052 123 HA HYP 18 HA HYP 18 9.088 1.932 -2.426 124 HB2 HYP 18 HB2 HYP 18 7.426 1.349 -4.449 125 HB3 HYP 18 HB1 HYP 18 8.679 2.580 -4.628 126 HG HYP 18 HG HYP 18 8.743 -0.314 -5.569 127 HD22 HYP 18 HD11 HYP 18 11.316 1.163 -5.431 128 HD23 HYP 18 HD12 HYP 18 11.019 -0.523 -5.022 129 HD1 HYP 18 HD2 HYP 18 9.763 2.079 -6.675 130 H GLN 19 HN GLN 19 10.166 -1.062 -2.248 131 HA GLN 19 HA GLN 19 7.808 -2.653 -2.101 132 HB2 GLN 19 HB2 GLN 19 10.677 -2.980 -1.339 133 HB3 GLN 19 HB1 GLN 19 9.495 -4.170 -0.861 134 HG2 GLN 19 HG2 GLN 19 10.754 -4.468 -3.129 135 HG3 GLN 19 HG1 GLN 19 9.059 -4.888 -3.063 136 HE21 GLN 19 HE21 GLN 19 11.014 -3.958 -5.208 137 HE22 GLN 19 HE22 GLN 19 10.171 -2.738 -6.030 138 H HIS 20 HN HIS 20 6.815 -3.593 -0.524 139 HA HIS 20 HA HIS 20 6.042 -2.004 1.712 140 HB2 HIS 20 HB2 HIS 20 4.756 -4.045 2.386 141 HB3 HIS 20 HB1 HIS 20 4.580 -3.759 0.658 142 HD1 HIS 20 HD1 HIS 20 5.623 -6.323 2.935 143 HD2 HIS 20 HD2 HIS 20 6.532 -5.417 -0.940 144 HE1 HIS 20 HE1 HIS 20 6.655 -8.345 1.969 145 H CYS 21 HN CYS 21 8.457 -4.374 1.189 146 HA CYS 21 HA CYS 21 9.093 -4.601 4.079 147 HB2 CYS 21 HB2 CYS 21 10.608 -6.405 3.369 148 HB3 CYS 21 HB1 CYS 21 8.962 -6.682 2.919 149 H CYS 22 HN CYS 22 10.032 -2.882 1.293 150 HA CYS 22 HA CYS 22 12.711 -2.202 2.429 151 HB2 CYS 22 HB2 CYS 22 12.558 -2.509 -0.140 152 HB3 CYS 22 HB1 CYS 22 11.495 -1.169 -0.230 153 HN1 NH2 23 HN1 NH2 23 9.470 -1.343 2.405 154 HN2 NH2 23 HN2 NH2 23 9.576 0.246 2.915 Start of MODEL 7 1 H1 ARG 1 HT1 ARG 1 10.907 -7.685 -5.969 2 H2 ARG 1 HT2 ARG 1 11.275 -6.337 -5.004 3 H3 ARG 1 HT3 ARG 1 9.684 -6.594 -5.520 4 HA ARG 1 HA ARG 1 10.587 -7.270 -3.134 5 HB2 ARG 1 HB2 ARG 1 8.569 -8.678 -2.959 6 HB3 ARG 1 HB1 ARG 1 8.258 -7.164 -3.750 7 HG2 ARG 1 HG2 ARG 1 8.458 -9.868 -5.136 8 HG3 ARG 1 HG1 ARG 1 7.007 -8.963 -4.791 9 HD2 ARG 1 HD2 ARG 1 7.748 -7.129 -6.299 10 HD3 ARG 1 HD1 ARG 1 9.168 -8.068 -6.741 11 HE ARG 1 HE ARG 1 6.427 -8.593 -7.586 12 HH11 ARG 1 HH11 ARG 1 9.630 -9.860 -7.172 13 HH12 ARG 1 HH12 ARG 1 9.403 -11.103 -8.354 14 HH21 ARG 1 HH21 ARG 1 6.126 -10.163 -9.075 15 HH22 ARG 1 HH22 ARG 1 7.395 -11.283 -9.441 16 H HIS 2 HN HIS 2 10.216 -9.771 -5.617 17 HA HIS 2 HA HIS 2 11.068 -12.030 -4.329 18 HB2 HIS 2 HB2 HIS 2 11.826 -12.878 -6.548 19 HB3 HIS 2 HB1 HIS 2 10.271 -12.077 -6.614 20 HD1 HIS 2 HD1 HIS 2 12.080 -12.255 -9.087 21 HD2 HIS 2 HD2 HIS 2 12.017 -8.970 -6.665 22 HE1 HIS 2 HE1 HIS 2 12.892 -10.371 -10.452 23 H GLY 3 HN GLY 3 13.290 -9.651 -5.636 24 HA2 GLY 3 HA2 GLY 3 15.614 -11.121 -4.444 25 HA3 GLY 3 HA1 GLY 3 15.722 -10.080 -5.871 26 H CYS 4 HN CYS 4 13.610 -8.418 -4.325 27 HA CYS 4 HA CYS 4 15.450 -6.525 -3.184 28 HB2 CYS 4 HB2 CYS 4 12.429 -6.569 -3.322 29 HB3 CYS 4 HB1 CYS 4 13.410 -5.219 -2.946 30 H CYS 5 HN CYS 5 14.147 -5.581 -1.069 31 HA CYS 5 HA CYS 5 14.929 -6.464 1.217 32 HB2 CYS 5 HB2 CYS 5 12.808 -5.728 2.248 33 HB3 CYS 5 HB1 CYS 5 13.587 -4.644 1.152 34 H LYS 6 HN LYS 6 15.281 -8.570 0.502 35 HA LYS 6 HA LYS 6 13.943 -10.509 2.285 36 HB2 LYS 6 HB2 LYS 6 14.491 -11.054 -0.690 37 HB3 LYS 6 HB1 LYS 6 14.047 -12.283 0.473 38 HG2 LYS 6 HG2 LYS 6 11.858 -11.063 0.878 39 HG3 LYS 6 HG1 LYS 6 12.318 -9.937 -0.392 40 HD2 LYS 6 HD2 LYS 6 12.358 -11.679 -2.059 41 HD3 LYS 6 HD1 LYS 6 12.170 -12.937 -0.857 42 HE2 LYS 6 HE2 LYS 6 10.026 -12.466 -2.024 43 HE3 LYS 6 HE1 LYS 6 9.906 -12.139 -0.304 44 HZ1 LYS 6 HZ1 LYS 6 9.135 -10.185 -0.900 45 HZ2 LYS 6 HZ2 LYS 6 9.612 -10.378 -2.518 46 HZ3 LYS 6 HZ3 LYS 6 10.710 -9.770 -1.374 47 H GLY 7 HN GLY 7 16.537 -8.886 1.323 48 HA2 GLY 7 HA2 GLY 7 18.470 -10.498 2.700 49 HA3 GLY 7 HA1 GLY 7 18.714 -10.590 0.953 50 HA HYP 8 HA HYP 8 20.703 -6.845 2.988 51 HB2 HYP 8 HB2 HYP 8 23.292 -7.218 2.133 52 HB3 HYP 8 HB1 HYP 8 22.650 -7.864 3.640 53 HG HYP 8 HG HYP 8 23.032 -9.267 0.987 54 HD22 HYP 8 HD11 HYP 8 21.057 -10.424 2.962 55 HD23 HYP 8 HD12 HYP 8 21.045 -10.499 1.191 56 HD1 HYP 8 HD2 HYP 8 23.268 -9.974 3.716 57 H LYS 9 HN LYS 9 20.276 -7.986 -0.118 58 HA LYS 9 HA LYS 9 21.015 -5.357 -1.376 59 HB2 LYS 9 HB2 LYS 9 20.753 -8.145 -2.622 60 HB3 LYS 9 HB1 LYS 9 21.177 -6.706 -3.514 61 HG2 LYS 9 HG2 LYS 9 22.811 -7.974 -1.259 62 HG3 LYS 9 HG1 LYS 9 23.192 -8.080 -2.961 63 HD2 LYS 9 HD2 LYS 9 23.177 -5.507 -1.311 64 HD3 LYS 9 HD1 LYS 9 24.591 -6.385 -1.845 65 HE2 LYS 9 HE2 LYS 9 23.996 -5.973 -4.219 66 HE3 LYS 9 HE1 LYS 9 22.553 -5.099 -3.721 67 HZ1 LYS 9 HZ1 LYS 9 24.689 -3.821 -4.252 68 HZ2 LYS 9 HZ2 LYS 9 25.170 -4.280 -2.689 69 HZ3 LYS 9 HZ3 LYS 9 23.755 -3.366 -2.908 70 H GLY 10 HN GLY 10 18.847 -5.804 0.193 71 HA2 GLY 10 HA2 GLY 10 16.525 -6.302 -1.509 72 HA3 GLY 10 HA1 GLY 10 16.537 -6.077 0.224 73 H CYS 11 HN CYS 11 18.247 -3.687 -1.422 74 HA CYS 11 HA CYS 11 15.992 -1.911 -1.959 75 HB2 CYS 11 HB2 CYS 11 17.748 -1.511 0.434 76 HB3 CYS 11 HB1 CYS 11 16.823 -0.210 -0.209 77 H SER 12 HN SER 12 18.697 -2.875 -3.048 78 HA SER 12 HA SER 12 20.083 -0.294 -3.465 79 HB2 SER 12 HB2 SER 12 21.766 -1.712 -4.658 80 HB3 SER 12 HB1 SER 12 21.419 -2.333 -3.034 81 HG SER 12 HG SER 12 20.073 -3.147 -5.399 82 H SER 13 HN SER 13 17.873 -2.355 -5.085 83 HA SER 13 HA SER 13 18.275 -1.054 -7.726 84 HB2 SER 13 HB2 SER 13 16.431 -3.343 -6.874 85 HB3 SER 13 HB1 SER 13 16.692 -2.804 -8.539 86 HG SER 13 HG SER 13 18.670 -3.713 -6.720 87 H ARG 14 HN ARG 14 16.476 -0.053 -8.788 88 HA ARG 14 HA ARG 14 14.943 1.653 -7.020 89 HB2 ARG 14 HB2 ARG 14 15.754 2.433 -9.245 90 HB3 ARG 14 HB1 ARG 14 14.707 1.264 -10.026 91 HG2 ARG 14 HG2 ARG 14 13.680 3.522 -9.992 92 HG3 ARG 14 HG1 ARG 14 12.700 2.382 -9.101 93 HD2 ARG 14 HD2 ARG 14 13.629 3.238 -6.942 94 HD3 ARG 14 HD1 ARG 14 14.675 4.354 -7.797 95 HE ARG 14 HE ARG 14 11.769 4.572 -7.406 96 HH11 ARG 14 HH11 ARG 14 14.545 5.654 -9.192 97 HH12 ARG 14 HH12 ARG 14 13.789 7.136 -9.668 98 HH21 ARG 14 HH21 ARG 14 10.806 6.438 -8.005 99 HH22 ARG 14 HH22 ARG 14 11.647 7.587 -8.992 100 H GLU 15 HN GLU 15 14.693 -1.208 -8.688 101 HA GLU 15 HA GLU 15 11.917 -1.706 -8.695 102 HB2 GLU 15 HB2 GLU 15 13.481 -2.427 -10.437 103 HB3 GLU 15 HB1 GLU 15 14.437 -3.316 -9.266 104 HG2 GLU 15 HG2 GLU 15 12.656 -4.851 -8.882 105 HG3 GLU 15 HG1 GLU 15 11.576 -3.910 -9.923 106 H CYS 16 HN CYS 16 13.748 -1.382 -6.160 107 HA CYS 16 HA CYS 16 12.533 -3.540 -4.516 108 HB2 CYS 16 HB2 CYS 16 15.366 -2.572 -4.379 109 HB3 CYS 16 HB1 CYS 16 14.634 -3.613 -3.228 110 H ARG 17 HN ARG 17 13.722 -0.340 -4.691 111 HA ARG 17 HA ARG 17 13.585 0.612 -2.074 112 HB2 ARG 17 HB2 ARG 17 12.531 2.344 -4.345 113 HB3 ARG 17 HB1 ARG 17 13.453 2.814 -2.947 114 HG2 ARG 17 HG2 ARG 17 14.438 1.171 -5.246 115 HG3 ARG 17 HG1 ARG 17 14.818 2.850 -5.029 116 HD2 ARG 17 HD2 ARG 17 15.765 0.623 -3.203 117 HD3 ARG 17 HD1 ARG 17 16.728 1.481 -4.390 118 HE ARG 17 HE ARG 17 16.525 3.514 -3.112 119 HH11 ARG 17 HH11 ARG 17 15.260 0.683 -1.554 120 HH12 ARG 17 HH12 ARG 17 15.267 1.415 0.008 121 HH21 ARG 17 HH21 ARG 17 16.567 4.432 -1.189 122 HH22 ARG 17 HH22 ARG 17 16.037 3.585 0.232 123 HA HYP 18 HA HYP 18 9.111 1.936 -2.446 124 HB2 HYP 18 HB2 HYP 18 7.458 1.218 -4.461 125 HB3 HYP 18 HB1 HYP 18 8.657 2.496 -4.658 126 HG HYP 18 HG HYP 18 8.827 -0.405 -5.538 127 HD22 HYP 18 HD11 HYP 18 11.342 1.196 -5.381 128 HD23 HYP 18 HD12 HYP 18 11.131 -0.512 -4.999 129 HD1 HYP 18 HD2 HYP 18 10.093 0.890 -7.197 130 H GLN 19 HN GLN 19 10.179 -1.080 -2.220 131 HA GLN 19 HA GLN 19 7.818 -2.650 -1.946 132 HB2 GLN 19 HB2 GLN 19 10.699 -2.966 -1.212 133 HB3 GLN 19 HB1 GLN 19 9.512 -4.135 -0.707 134 HG2 GLN 19 HG2 GLN 19 10.772 -4.504 -2.969 135 HG3 GLN 19 HG1 GLN 19 9.079 -4.919 -2.873 136 HE21 GLN 19 HE21 GLN 19 11.031 -4.033 -5.093 137 HE22 GLN 19 HE22 GLN 19 10.139 -2.872 -5.938 138 H HIS 20 HN HIS 20 6.767 -3.427 -0.289 139 HA HIS 20 HA HIS 20 6.304 -1.662 1.938 140 HB2 HIS 20 HB2 HIS 20 4.742 -3.444 2.710 141 HB3 HIS 20 HB1 HIS 20 4.546 -3.206 0.980 142 HD1 HIS 20 HD1 HIS 20 5.249 -5.805 3.339 143 HD2 HIS 20 HD2 HIS 20 6.114 -5.223 -0.608 144 HE1 HIS 20 HE1 HIS 20 5.877 -8.011 2.433 145 H CYS 21 HN CYS 21 8.406 -4.277 1.285 146 HA CYS 21 HA CYS 21 9.104 -4.628 4.149 147 HB2 CYS 21 HB2 CYS 21 10.409 -6.558 3.382 148 HB3 CYS 21 HB1 CYS 21 8.754 -6.653 2.897 149 H CYS 22 HN CYS 22 10.113 -2.944 1.362 150 HA CYS 22 HA CYS 22 12.864 -2.499 2.453 151 HB2 CYS 22 HB2 CYS 22 12.628 -2.736 -0.130 152 HB3 CYS 22 HB1 CYS 22 11.672 -1.309 -0.130 153 HN1 NH2 23 HN1 NH2 23 9.690 -1.365 2.440 154 HN2 NH2 23 HN2 NH2 23 9.928 0.196 2.997 Start of MODEL 8 1 H1 ARG 1 HT1 ARG 1 8.971 -9.268 -6.742 2 H2 ARG 1 HT2 ARG 1 9.297 -10.867 -6.269 3 H3 ARG 1 HT3 ARG 1 10.347 -10.065 -7.337 4 HA ARG 1 HA ARG 1 10.851 -8.444 -5.571 5 HB2 ARG 1 HB2 ARG 1 8.653 -9.181 -4.283 6 HB3 ARG 1 HB1 ARG 1 9.543 -10.598 -3.783 7 HG2 ARG 1 HG2 ARG 1 9.833 -9.171 -1.943 8 HG3 ARG 1 HG1 ARG 1 11.298 -8.847 -2.844 9 HD2 ARG 1 HD2 ARG 1 8.758 -7.148 -2.777 10 HD3 ARG 1 HD1 ARG 1 10.338 -6.703 -2.191 11 HE ARG 1 HE ARG 1 11.133 -6.528 -4.494 12 HH11 ARG 1 HH11 ARG 1 7.686 -6.966 -4.134 13 HH12 ARG 1 HH12 ARG 1 7.362 -6.379 -5.726 14 HH21 ARG 1 HH21 ARG 1 10.692 -5.811 -6.501 15 HH22 ARG 1 HH22 ARG 1 9.058 -5.710 -7.068 16 H HIS 2 HN HIS 2 12.044 -9.999 -7.207 17 HA HIS 2 HA HIS 2 13.264 -12.387 -6.562 18 HB2 HIS 2 HB2 HIS 2 14.989 -11.755 -8.230 19 HB3 HIS 2 HB1 HIS 2 13.365 -11.378 -8.767 20 HD1 HIS 2 HD1 HIS 2 15.307 -9.797 -10.151 21 HD2 HIS 2 HD2 HIS 2 14.053 -8.480 -6.491 22 HE1 HIS 2 HE1 HIS 2 15.804 -7.385 -10.069 23 H GLY 3 HN GLY 3 14.078 -9.469 -4.935 24 HA2 GLY 3 HA2 GLY 3 15.910 -10.778 -3.194 25 HA3 GLY 3 HA1 GLY 3 16.841 -9.944 -4.424 26 H CYS 4 HN CYS 4 13.920 -8.380 -3.758 27 HA CYS 4 HA CYS 4 15.265 -6.100 -2.633 28 HB2 CYS 4 HB2 CYS 4 12.326 -6.693 -2.967 29 HB3 CYS 4 HB1 CYS 4 13.015 -5.159 -2.644 30 H CYS 5 HN CYS 5 14.061 -5.100 -0.661 31 HA CYS 5 HA CYS 5 14.859 -5.756 1.674 32 HB2 CYS 5 HB2 CYS 5 12.688 -5.051 2.684 33 HB3 CYS 5 HB1 CYS 5 13.433 -3.995 1.543 34 H LYS 6 HN LYS 6 15.271 -7.928 1.171 35 HA LYS 6 HA LYS 6 13.901 -9.707 3.128 36 HB2 LYS 6 HB2 LYS 6 14.008 -11.631 1.732 37 HB3 LYS 6 HB1 LYS 6 13.192 -10.447 0.743 38 HG2 LYS 6 HG2 LYS 6 15.392 -10.027 -0.503 39 HG3 LYS 6 HG1 LYS 6 16.128 -11.260 0.467 40 HD2 LYS 6 HD2 LYS 6 13.819 -11.739 -1.440 41 HD3 LYS 6 HD1 LYS 6 15.502 -12.090 -1.757 42 HE2 LYS 6 HE2 LYS 6 14.420 -14.162 -1.161 43 HE3 LYS 6 HE1 LYS 6 15.554 -13.728 0.102 44 HZ1 LYS 6 HZ1 LYS 6 12.859 -12.765 0.490 45 HZ2 LYS 6 HZ2 LYS 6 13.935 -13.487 1.589 46 HZ3 LYS 6 HZ3 LYS 6 13.039 -14.452 0.522 47 H GLY 7 HN GLY 7 16.635 -8.777 1.155 48 HA2 GLY 7 HA2 GLY 7 18.571 -9.097 3.194 49 HA3 GLY 7 HA1 GLY 7 18.624 -10.538 2.191 50 HA HYP 8 HA HYP 8 21.857 -9.044 0.250 51 HB2 HYP 8 HB2 HYP 8 21.604 -9.651 -2.459 52 HB3 HYP 8 HB1 HYP 8 22.059 -10.773 -1.185 53 HG HYP 8 HG HYP 8 19.531 -10.626 -2.690 54 HD22 HYP 8 HD11 HYP 8 18.600 -11.172 -0.018 55 HD23 HYP 8 HD12 HYP 8 18.155 -9.789 -1.028 56 HD1 HYP 8 HD2 HYP 8 20.656 -12.396 -0.799 57 H LYS 9 HN LYS 9 19.138 -7.972 -1.673 58 HA LYS 9 HA LYS 9 20.404 -5.280 -2.018 59 HB2 LYS 9 HB2 LYS 9 19.514 -5.261 -4.370 60 HB3 LYS 9 HB1 LYS 9 20.650 -6.568 -4.126 61 HG2 LYS 9 HG2 LYS 9 18.707 -8.152 -3.818 62 HG3 LYS 9 HG1 LYS 9 17.608 -6.821 -4.133 63 HD2 LYS 9 HD2 LYS 9 17.878 -8.111 -6.169 64 HD3 LYS 9 HD1 LYS 9 18.561 -6.513 -6.385 65 HE2 LYS 9 HE2 LYS 9 20.044 -8.285 -7.317 66 HE3 LYS 9 HE1 LYS 9 20.861 -7.430 -6.024 67 HZ1 LYS 9 HZ1 LYS 9 19.302 -9.732 -5.205 68 HZ2 LYS 9 HZ2 LYS 9 20.850 -9.234 -4.718 69 HZ3 LYS 9 HZ3 LYS 9 20.649 -10.075 -6.179 70 H GLY 10 HN GLY 10 19.022 -5.817 -0.010 71 HA2 GLY 10 HA2 GLY 10 16.309 -5.895 0.194 72 HA3 GLY 10 HA1 GLY 10 17.317 -5.029 1.332 73 H CYS 11 HN CYS 11 18.242 -3.213 -0.652 74 HA CYS 11 HA CYS 11 15.978 -1.679 -1.688 75 HB2 CYS 11 HB2 CYS 11 17.524 -0.706 0.705 76 HB3 CYS 11 HB1 CYS 11 16.540 0.340 -0.235 77 H SER 12 HN SER 12 17.813 -2.502 -3.228 78 HA SER 12 HA SER 12 19.705 -0.217 -3.690 79 HB2 SER 12 HB2 SER 12 20.121 -3.165 -4.289 80 HB3 SER 12 HB1 SER 12 21.274 -1.858 -4.649 81 HG SER 12 HG SER 12 21.338 -3.066 -2.501 82 H SER 13 HN SER 13 17.636 -2.660 -5.147 83 HA SER 13 HA SER 13 17.955 -1.530 -7.846 84 HB2 SER 13 HB2 SER 13 16.051 -3.705 -6.806 85 HB3 SER 13 HB1 SER 13 16.340 -3.319 -8.507 86 HG SER 13 HG SER 13 18.207 -4.229 -6.585 87 H ARG 14 HN ARG 14 16.106 -0.644 -8.945 88 HA ARG 14 HA ARG 14 14.605 1.228 -7.305 89 HB2 ARG 14 HB2 ARG 14 14.490 0.517 -10.239 90 HB3 ARG 14 HB1 ARG 14 13.708 1.908 -9.510 91 HG2 ARG 14 HG2 ARG 14 16.719 1.365 -9.614 92 HG3 ARG 14 HG1 ARG 14 15.863 2.558 -10.556 93 HD2 ARG 14 HD2 ARG 14 16.135 2.598 -7.496 94 HD3 ARG 14 HD1 ARG 14 16.984 3.650 -8.602 95 HE ARG 14 HE ARG 14 14.192 3.886 -7.793 96 HH11 ARG 14 HH11 ARG 14 16.558 4.654 -10.206 97 HH12 ARG 14 HH12 ARG 14 15.685 6.031 -10.784 98 HH21 ARG 14 HH21 ARG 14 13.070 5.625 -8.512 99 HH22 ARG 14 HH22 ARG 14 13.683 6.589 -9.814 100 H GLU 15 HN GLU 15 14.383 -1.814 -8.580 101 HA GLU 15 HA GLU 15 11.578 -2.227 -8.506 102 HB2 GLU 15 HB2 GLU 15 13.121 -3.170 -10.208 103 HB3 GLU 15 HB1 GLU 15 14.002 -4.026 -8.955 104 HG2 GLU 15 HG2 GLU 15 12.060 -5.323 -8.409 105 HG3 GLU 15 HG1 GLU 15 11.094 -4.391 -9.559 106 H CYS 16 HN CYS 16 13.473 -1.619 -6.090 107 HA CYS 16 HA CYS 16 12.362 -3.618 -4.179 108 HB2 CYS 16 HB2 CYS 16 15.136 -2.545 -4.129 109 HB3 CYS 16 HB1 CYS 16 14.427 -3.560 -2.942 110 H ARG 17 HN ARG 17 13.571 -0.458 -4.683 111 HA ARG 17 HA ARG 17 13.452 0.724 -2.156 112 HB2 ARG 17 HB2 ARG 17 12.505 2.291 -4.588 113 HB3 ARG 17 HB1 ARG 17 13.450 2.838 -3.236 114 HG2 ARG 17 HG2 ARG 17 14.348 0.964 -5.399 115 HG3 ARG 17 HG1 ARG 17 14.783 2.637 -5.331 116 HD2 ARG 17 HD2 ARG 17 15.698 0.597 -3.264 117 HD3 ARG 17 HD1 ARG 17 16.651 1.182 -4.611 118 HE ARG 17 HE ARG 17 16.767 3.349 -3.631 119 HH11 ARG 17 HH11 ARG 17 15.041 1.071 -1.699 120 HH12 ARG 17 HH12 ARG 17 15.106 2.050 -0.277 121 HH21 ARG 17 HH21 ARG 17 16.913 4.578 -1.891 122 HH22 ARG 17 HH22 ARG 17 16.220 4.084 -0.378 123 HA HYP 18 HA HYP 18 9.027 2.167 -2.778 124 HB2 HYP 18 HB2 HYP 18 7.372 1.173 -4.685 125 HB3 HYP 18 HB1 HYP 18 8.551 2.439 -5.023 126 HG HYP 18 HG HYP 18 8.809 -0.552 -5.524 127 HD22 HYP 18 HD11 HYP 18 11.214 1.229 -5.575 128 HD23 HYP 18 HD12 HYP 18 11.129 -0.468 -5.091 129 HD1 HYP 18 HD2 HYP 18 8.304 0.696 -7.287 130 H GLN 19 HN GLN 19 10.028 -0.874 -2.254 131 HA GLN 19 HA GLN 19 7.648 -2.318 -1.729 132 HB2 GLN 19 HB2 GLN 19 10.520 -2.614 -0.964 133 HB3 GLN 19 HB1 GLN 19 9.300 -3.677 -0.323 134 HG2 GLN 19 HG2 GLN 19 10.548 -4.357 -2.496 135 HG3 GLN 19 HG1 GLN 19 8.838 -4.705 -2.366 136 HE21 GLN 19 HE21 GLN 19 10.864 -4.151 -4.613 137 HE22 GLN 19 HE22 GLN 19 10.032 -3.106 -5.642 138 H HIS 20 HN HIS 20 6.614 -2.899 -0.012 139 HA HIS 20 HA HIS 20 6.232 -0.900 2.033 140 HB2 HIS 20 HB2 HIS 20 4.572 -2.500 2.944 141 HB3 HIS 20 HB1 HIS 20 4.411 -2.444 1.197 142 HD1 HIS 20 HD1 HIS 20 4.371 -4.851 3.634 143 HD2 HIS 20 HD2 HIS 20 6.403 -4.697 0.096 144 HE1 HIS 20 HE1 HIS 20 4.974 -7.174 3.073 145 H CYS 21 HN CYS 21 8.254 -3.637 1.600 146 HA CYS 21 HA CYS 21 8.925 -3.768 4.494 147 HB2 CYS 21 HB2 CYS 21 10.251 -5.738 3.909 148 HB3 CYS 21 HB1 CYS 21 8.602 -5.910 3.418 149 H CYS 22 HN CYS 22 9.935 -2.308 1.598 150 HA CYS 22 HA CYS 22 12.695 -1.794 2.623 151 HB2 CYS 22 HB2 CYS 22 12.459 -2.214 0.078 152 HB3 CYS 22 HB1 CYS 22 11.456 -0.827 -0.047 153 HN1 NH2 23 HN1 NH2 23 9.516 -0.633 2.478 154 HN2 NH2 23 HN2 NH2 23 9.760 0.950 2.963 Start of MODEL 9 1 H1 ARG 1 HT1 ARG 1 8.540 -8.163 -8.271 2 H2 ARG 1 HT2 ARG 1 9.949 -7.338 -8.742 3 H3 ARG 1 HT3 ARG 1 8.801 -6.563 -7.761 4 HA ARG 1 HA ARG 1 10.850 -7.382 -6.607 5 HB2 ARG 1 HB2 ARG 1 8.711 -6.832 -5.418 6 HB3 ARG 1 HB1 ARG 1 8.125 -8.455 -5.719 7 HG2 ARG 1 HG2 ARG 1 9.958 -9.407 -4.352 8 HG3 ARG 1 HG1 ARG 1 10.630 -7.807 -4.105 9 HD2 ARG 1 HD2 ARG 1 8.534 -7.116 -2.938 10 HD3 ARG 1 HD1 ARG 1 7.854 -8.717 -3.190 11 HE ARG 1 HE ARG 1 9.965 -7.982 -1.274 12 HH11 ARG 1 HH11 ARG 1 8.295 -10.533 -2.935 13 HH12 ARG 1 HH12 ARG 1 8.743 -11.728 -1.766 14 HH21 ARG 1 HH21 ARG 1 10.544 -9.488 0.204 15 HH22 ARG 1 HH22 ARG 1 10.030 -11.132 0.027 16 H HIS 2 HN HIS 2 12.119 -9.088 -6.165 17 HA HIS 2 HA HIS 2 11.342 -11.863 -6.417 18 HB2 HIS 2 HB2 HIS 2 12.814 -12.396 -8.384 19 HB3 HIS 2 HB1 HIS 2 11.481 -11.350 -8.825 20 HD1 HIS 2 HD1 HIS 2 13.568 -11.061 -10.714 21 HD2 HIS 2 HD2 HIS 2 13.896 -8.935 -7.240 22 HE1 HIS 2 HE1 HIS 2 15.133 -9.215 -11.172 23 H GLY 3 HN GLY 3 13.427 -9.461 -5.474 24 HA2 GLY 3 HA2 GLY 3 15.021 -11.224 -3.826 25 HA3 GLY 3 HA1 GLY 3 15.960 -10.543 -5.159 26 H CYS 4 HN CYS 4 13.288 -8.749 -3.760 27 HA CYS 4 HA CYS 4 15.065 -6.594 -2.927 28 HB2 CYS 4 HB2 CYS 4 12.042 -6.910 -2.843 29 HB3 CYS 4 HB1 CYS 4 12.933 -5.465 -2.613 30 H CYS 5 HN CYS 5 13.401 -5.842 -0.841 31 HA CYS 5 HA CYS 5 14.420 -6.133 1.505 32 HB2 CYS 5 HB2 CYS 5 12.254 -6.030 2.575 33 HB3 CYS 5 HB1 CYS 5 12.276 -5.104 1.101 34 H LYS 6 HN LYS 6 15.466 -8.284 0.837 35 HA LYS 6 HA LYS 6 14.422 -10.427 2.670 36 HB2 LYS 6 HB2 LYS 6 15.876 -10.800 0.012 37 HB3 LYS 6 HB1 LYS 6 15.504 -12.103 1.106 38 HG2 LYS 6 HG2 LYS 6 13.424 -10.336 -0.314 39 HG3 LYS 6 HG1 LYS 6 13.858 -11.954 -0.777 40 HD2 LYS 6 HD2 LYS 6 12.532 -11.123 1.854 41 HD3 LYS 6 HD1 LYS 6 11.743 -11.902 0.506 42 HE2 LYS 6 HE2 LYS 6 13.208 -13.914 0.799 43 HE3 LYS 6 HE1 LYS 6 13.942 -13.142 2.201 44 HZ1 LYS 6 HZ1 LYS 6 12.077 -14.723 2.643 45 HZ2 LYS 6 HZ2 LYS 6 11.035 -13.549 1.993 46 HZ3 LYS 6 HZ3 LYS 6 11.957 -13.195 3.374 47 H GLY 7 HN GLY 7 17.069 -8.471 1.694 48 HA2 GLY 7 HA2 GLY 7 18.588 -8.975 4.022 49 HA3 GLY 7 HA1 GLY 7 19.208 -10.040 2.771 50 HA HYP 8 HA HYP 8 21.755 -6.441 2.801 51 HB2 HYP 8 HB2 HYP 8 23.859 -7.243 1.330 52 HB3 HYP 8 HB1 HYP 8 23.500 -7.984 2.892 53 HG HYP 8 HG HYP 8 22.823 -9.007 0.114 54 HD22 HYP 8 HD11 HYP 8 21.372 -10.217 2.448 55 HD23 HYP 8 HD12 HYP 8 20.766 -9.855 0.822 56 HD1 HYP 8 HD2 HYP 8 24.475 -10.087 0.961 57 H LYS 9 HN LYS 9 20.396 -7.736 -0.029 58 HA LYS 9 HA LYS 9 20.750 -5.175 -1.524 59 HB2 LYS 9 HB2 LYS 9 20.688 -6.666 -3.601 60 HB3 LYS 9 HB1 LYS 9 22.112 -6.829 -2.604 61 HG2 LYS 9 HG2 LYS 9 21.343 -9.043 -3.350 62 HG3 LYS 9 HG1 LYS 9 21.244 -8.916 -1.614 63 HD2 LYS 9 HD2 LYS 9 18.793 -8.585 -1.742 64 HD3 LYS 9 HD1 LYS 9 18.883 -8.615 -3.504 65 HE2 LYS 9 HE2 LYS 9 19.721 -10.946 -3.400 66 HE3 LYS 9 HE1 LYS 9 19.682 -10.901 -1.640 67 HZ1 LYS 9 HZ1 LYS 9 17.724 -11.948 -2.370 68 HZ2 LYS 9 HZ2 LYS 9 17.396 -10.730 -3.506 69 HZ3 LYS 9 HZ3 LYS 9 17.271 -10.397 -1.845 70 H GLY 10 HN GLY 10 18.717 -5.762 0.294 71 HA2 GLY 10 HA2 GLY 10 16.336 -6.512 -1.182 72 HA3 GLY 10 HA1 GLY 10 16.395 -6.043 0.504 73 H CYS 11 HN CYS 11 17.934 -3.793 -1.443 74 HA CYS 11 HA CYS 11 15.572 -2.231 -2.223 75 HB2 CYS 11 HB2 CYS 11 17.403 -1.191 -0.073 76 HB3 CYS 11 HB1 CYS 11 16.135 -0.283 -0.825 77 H SER 12 HN SER 12 18.481 -3.186 -3.087 78 HA SER 12 HA SER 12 19.804 -0.684 -3.753 79 HB2 SER 12 HB2 SER 12 21.055 -2.745 -3.387 80 HB3 SER 12 HB1 SER 12 20.244 -3.512 -4.770 81 HG SER 12 HG SER 12 21.582 -1.031 -4.975 82 H SER 13 HN SER 13 17.572 -2.794 -5.355 83 HA SER 13 HA SER 13 17.781 -1.334 -7.917 84 HB2 SER 13 HB2 SER 13 16.238 -3.839 -7.093 85 HB3 SER 13 HB1 SER 13 16.316 -3.186 -8.737 86 HG SER 13 HG SER 13 18.582 -3.329 -8.605 87 H ARG 14 HN ARG 14 15.895 -0.496 -8.903 88 HA ARG 14 HA ARG 14 14.210 1.052 -7.120 89 HB2 ARG 14 HB2 ARG 14 14.102 0.531 -10.106 90 HB3 ARG 14 HB1 ARG 14 13.196 1.783 -9.288 91 HG2 ARG 14 HG2 ARG 14 16.243 1.594 -9.444 92 HG3 ARG 14 HG1 ARG 14 15.247 2.684 -10.380 93 HD2 ARG 14 HD2 ARG 14 15.518 2.724 -7.327 94 HD3 ARG 14 HD1 ARG 14 16.226 3.884 -8.441 95 HE ARG 14 HE ARG 14 13.479 3.880 -9.012 96 HH11 ARG 14 HH11 ARG 14 15.558 4.525 -6.326 97 HH12 ARG 14 HH12 ARG 14 14.496 5.699 -5.627 98 HH21 ARG 14 HH21 ARG 14 12.100 5.366 -8.145 99 HH22 ARG 14 HH22 ARG 14 12.507 6.180 -6.670 100 H GLU 15 HN GLU 15 14.235 -1.902 -8.596 101 HA GLU 15 HA GLU 15 11.519 -2.617 -8.719 102 HB2 GLU 15 HB2 GLU 15 13.222 -3.537 -10.157 103 HB3 GLU 15 HB1 GLU 15 14.182 -4.045 -8.787 104 HG2 GLU 15 HG2 GLU 15 13.195 -5.865 -9.758 105 HG3 GLU 15 HG1 GLU 15 12.489 -5.700 -8.182 106 H CYS 16 HN CYS 16 13.478 -2.084 -6.244 107 HA CYS 16 HA CYS 16 12.140 -3.854 -4.264 108 HB2 CYS 16 HB2 CYS 16 14.949 -2.965 -4.280 109 HB3 CYS 16 HB1 CYS 16 14.209 -3.924 -3.065 110 H ARG 17 HN ARG 17 13.578 -0.644 -4.585 111 HA ARG 17 HA ARG 17 13.246 0.231 -1.934 112 HB2 ARG 17 HB2 ARG 17 13.243 1.885 -4.473 113 HB3 ARG 17 HB1 ARG 17 13.448 2.515 -2.848 114 HG2 ARG 17 HG2 ARG 17 15.390 0.912 -2.611 115 HG3 ARG 17 HG1 ARG 17 15.213 0.508 -4.301 116 HD2 ARG 17 HD2 ARG 17 16.934 2.262 -4.134 117 HD3 ARG 17 HD1 ARG 17 15.498 2.936 -4.903 118 HE ARG 17 HE ARG 17 15.254 4.340 -3.048 119 HH11 ARG 17 HH11 ARG 17 17.125 1.540 -2.225 120 HH12 ARG 17 HH12 ARG 17 17.420 2.056 -0.604 121 HH21 ARG 17 HH21 ARG 17 15.625 5.025 -0.995 122 HH22 ARG 17 HH22 ARG 17 16.567 4.059 0.099 123 HA HYP 18 HA HYP 18 9.060 2.379 -3.126 124 HB2 HYP 18 HB2 HYP 18 7.701 0.649 -4.997 125 HB3 HYP 18 HB1 HYP 18 8.186 2.326 -5.225 126 HG HYP 18 HG HYP 18 9.630 -0.198 -5.999 127 HD22 HYP 18 HD11 HYP 18 11.220 2.283 -5.236 128 HD23 HYP 18 HD12 HYP 18 11.800 0.618 -5.336 129 HD1 HYP 18 HD2 HYP 18 9.801 2.456 -6.967 130 H GLN 19 HN GLN 19 9.897 -0.837 -2.556 131 HA GLN 19 HA GLN 19 7.471 -1.969 -1.703 132 HB2 GLN 19 HB2 GLN 19 10.322 -2.550 -0.986 133 HB3 GLN 19 HB1 GLN 19 8.967 -3.463 -0.420 134 HG2 GLN 19 HG2 GLN 19 10.200 -4.308 -2.532 135 HG3 GLN 19 HG1 GLN 19 8.466 -4.464 -2.472 136 HE21 GLN 19 HE21 GLN 19 10.579 -4.220 -4.630 137 HE22 GLN 19 HE22 GLN 19 9.976 -3.063 -5.704 138 H HIS 20 HN HIS 20 6.413 -2.176 0.025 139 HA HIS 20 HA HIS 20 6.677 -0.169 2.120 140 HB2 HIS 20 HB2 HIS 20 4.641 -1.366 3.059 141 HB3 HIS 20 HB1 HIS 20 4.434 -0.938 1.368 142 HD1 HIS 20 HD1 HIS 20 3.953 -2.863 -0.141 143 HD2 HIS 20 HD2 HIS 20 5.389 -4.227 3.430 144 HE1 HIS 20 HE1 HIS 20 3.741 -5.316 -0.202 145 H CYS 21 HN CYS 21 7.861 -3.222 1.391 146 HA CYS 21 HA CYS 21 8.476 -4.061 4.147 147 HB2 CYS 21 HB2 CYS 21 9.387 -6.041 3.046 148 HB3 CYS 21 HB1 CYS 21 7.800 -5.712 2.411 149 H CYS 22 HN CYS 22 9.794 -2.385 1.409 150 HA CYS 22 HA CYS 22 12.553 -2.348 2.526 151 HB2 CYS 22 HB2 CYS 22 12.336 -2.303 -0.056 152 HB3 CYS 22 HB1 CYS 22 11.468 -0.824 0.050 153 HN1 NH2 23 HN1 NH2 23 9.539 -0.765 2.462 154 HN2 NH2 23 HN2 NH2 23 9.927 0.662 3.242 Start of MODEL 10 1 H1 ARG 1 HT1 ARG 1 10.752 -7.442 -6.376 2 H2 ARG 1 HT2 ARG 1 10.993 -9.127 -6.336 3 H3 ARG 1 HT3 ARG 1 12.031 -8.098 -5.474 4 HA ARG 1 HA ARG 1 10.059 -7.378 -4.127 5 HB2 ARG 1 HB2 ARG 1 8.893 -10.092 -5.007 6 HB3 ARG 1 HB1 ARG 1 8.140 -8.839 -4.060 7 HG2 ARG 1 HG2 ARG 1 7.052 -8.914 -6.187 8 HG3 ARG 1 HG1 ARG 1 7.992 -7.429 -6.130 9 HD2 ARG 1 HD2 ARG 1 9.736 -8.415 -7.574 10 HD3 ARG 1 HD1 ARG 1 8.972 -9.997 -7.453 11 HE ARG 1 HE ARG 1 7.208 -7.954 -8.531 12 HH11 ARG 1 HH11 ARG 1 9.815 -10.135 -9.213 13 HH12 ARG 1 HH12 ARG 1 9.434 -10.252 -10.896 14 HH21 ARG 1 HH21 ARG 1 6.705 -8.085 -10.667 15 HH22 ARG 1 HH22 ARG 1 7.648 -9.074 -11.732 16 H HIS 2 HN HIS 2 10.667 -10.665 -5.095 17 HA HIS 2 HA HIS 2 11.580 -11.610 -2.513 18 HB2 HIS 2 HB2 HIS 2 12.051 -13.721 -3.957 19 HB3 HIS 2 HB1 HIS 2 10.385 -13.176 -3.905 20 HD1 HIS 2 HD1 HIS 2 9.474 -13.395 -6.156 21 HD2 HIS 2 HD2 HIS 2 13.337 -12.131 -6.459 22 HE1 HIS 2 HE1 HIS 2 9.914 -13.073 -8.559 23 H GLY 3 HN GLY 3 12.945 -10.239 -5.332 24 HA2 GLY 3 HA2 GLY 3 15.743 -10.974 -4.685 25 HA3 GLY 3 HA1 GLY 3 15.200 -9.986 -6.066 26 H CYS 4 HN CYS 4 13.392 -8.462 -4.408 27 HA CYS 4 HA CYS 4 15.201 -6.404 -3.470 28 HB2 CYS 4 HB2 CYS 4 12.163 -6.626 -3.544 29 HB3 CYS 4 HB1 CYS 4 13.045 -5.202 -3.171 30 H CYS 5 HN CYS 5 13.979 -5.425 -1.319 31 HA CYS 5 HA CYS 5 14.935 -6.194 0.942 32 HB2 CYS 5 HB2 CYS 5 12.784 -5.578 2.056 33 HB3 CYS 5 HB1 CYS 5 13.498 -4.454 0.953 34 H LYS 6 HN LYS 6 15.394 -8.294 0.279 35 HA LYS 6 HA LYS 6 14.049 -10.300 2.036 36 HB2 LYS 6 HB2 LYS 6 13.526 -10.711 -0.417 37 HB3 LYS 6 HB1 LYS 6 15.238 -10.749 -0.757 38 HG2 LYS 6 HG2 LYS 6 13.777 -12.746 1.012 39 HG3 LYS 6 HG1 LYS 6 14.190 -13.020 -0.664 40 HD2 LYS 6 HD2 LYS 6 16.645 -12.763 -0.032 41 HD3 LYS 6 HD1 LYS 6 16.147 -12.692 1.651 42 HE2 LYS 6 HE2 LYS 6 15.081 -14.886 1.515 43 HE3 LYS 6 HE1 LYS 6 15.564 -15.023 -0.172 44 HZ1 LYS 6 HZ1 LYS 6 17.896 -14.640 0.667 45 HZ2 LYS 6 HZ2 LYS 6 17.185 -16.142 1.019 46 HZ3 LYS 6 HZ3 LYS 6 17.283 -14.945 2.221 47 H GLY 7 HN GLY 7 16.862 -9.416 0.114 48 HA2 GLY 7 HA2 GLY 7 18.681 -10.207 2.361 49 HA3 GLY 7 HA1 GLY 7 19.042 -10.600 0.690 50 HA HYP 8 HA HYP 8 21.266 -7.005 2.340 51 HB2 HYP 8 HB2 HYP 8 23.652 -7.285 1.068 52 HB3 HYP 8 HB1 HYP 8 23.171 -8.300 2.424 53 HG HYP 8 HG HYP 8 23.082 -8.924 -0.536 54 HD22 HYP 8 HD11 HYP 8 21.348 -10.598 1.244 55 HD23 HYP 8 HD12 HYP 8 21.031 -10.011 -0.396 56 HD1 HYP 8 HD2 HYP 8 24.646 -9.983 0.550 57 H LYS 9 HN LYS 9 20.258 -7.498 -0.800 58 HA LYS 9 HA LYS 9 20.813 -4.664 -1.583 59 HB2 LYS 9 HB2 LYS 9 20.839 -5.626 -3.979 60 HB3 LYS 9 HB1 LYS 9 22.210 -6.026 -2.976 61 HG2 LYS 9 HG2 LYS 9 21.502 -7.978 -4.252 62 HG3 LYS 9 HG1 LYS 9 21.312 -8.266 -2.542 63 HD2 LYS 9 HD2 LYS 9 18.858 -7.912 -2.745 64 HD3 LYS 9 HD1 LYS 9 19.042 -7.557 -4.460 65 HE2 LYS 9 HE2 LYS 9 18.385 -9.940 -4.130 66 HE3 LYS 9 HE1 LYS 9 20.014 -9.860 -4.769 67 HZ1 LYS 9 HZ1 LYS 9 20.926 -10.293 -2.676 68 HZ2 LYS 9 HZ2 LYS 9 19.648 -11.399 -2.857 69 HZ3 LYS 9 HZ3 LYS 9 19.452 -10.025 -1.875 70 H GLY 10 HN GLY 10 18.811 -5.484 -0.059 71 HA2 GLY 10 HA2 GLY 10 16.362 -6.063 -1.391 72 HA3 GLY 10 HA1 GLY 10 16.576 -5.515 0.268 73 H CYS 11 HN CYS 11 18.044 -3.245 -1.476 74 HA CYS 11 HA CYS 11 15.694 -1.732 -2.403 75 HB2 CYS 11 HB2 CYS 11 17.325 -0.669 -0.092 76 HB3 CYS 11 HB1 CYS 11 16.012 0.145 -0.872 77 H SER 12 HN SER 12 18.577 -2.637 -3.173 78 HA SER 12 HA SER 12 20.028 -0.149 -3.518 79 HB2 SER 12 HB2 SER 12 20.343 -2.832 -4.892 80 HB3 SER 12 HB1 SER 12 21.527 -1.499 -4.911 81 HG SER 12 HG SER 12 20.515 -2.904 -2.668 82 H SER 13 HN SER 13 17.902 -2.083 -5.484 83 HA SER 13 HA SER 13 18.091 -0.232 -7.776 84 HB2 SER 13 HB2 SER 13 16.680 -2.921 -7.423 85 HB3 SER 13 HB1 SER 13 16.792 -2.015 -8.934 86 HG SER 13 HG SER 13 19.116 -1.997 -8.532 87 H ARG 14 HN ARG 14 16.201 0.630 -8.700 88 HA ARG 14 HA ARG 14 14.343 1.800 -6.813 89 HB2 ARG 14 HB2 ARG 14 14.389 1.668 -9.845 90 HB3 ARG 14 HB1 ARG 14 13.333 2.715 -8.926 91 HG2 ARG 14 HG2 ARG 14 16.389 2.820 -8.942 92 HG3 ARG 14 HG1 ARG 14 15.339 3.927 -9.796 93 HD2 ARG 14 HD2 ARG 14 15.474 3.610 -6.755 94 HD3 ARG 14 HD1 ARG 14 16.102 4.960 -7.690 95 HE ARG 14 HE ARG 14 13.379 4.707 -8.373 96 HH11 ARG 14 HH11 ARG 14 15.332 5.421 -5.604 97 HH12 ARG 14 HH12 ARG 14 14.127 6.427 -4.872 98 HH21 ARG 14 HH21 ARG 14 11.841 5.971 -7.472 99 HH22 ARG 14 HH22 ARG 14 12.116 6.744 -5.946 100 H GLU 15 HN GLU 15 14.601 -0.905 -8.679 101 HA GLU 15 HA GLU 15 11.977 -1.796 -9.068 102 HB2 GLU 15 HB2 GLU 15 13.861 -2.416 -10.439 103 HB3 GLU 15 HB1 GLU 15 14.731 -3.021 -9.048 104 HG2 GLU 15 HG2 GLU 15 13.948 -4.784 -10.333 105 HG3 GLU 15 HG1 GLU 15 13.140 -4.829 -8.788 106 H CYS 16 HN CYS 16 13.828 -1.535 -6.382 107 HA CYS 16 HA CYS 16 12.384 -3.545 -4.762 108 HB2 CYS 16 HB2 CYS 16 15.226 -2.690 -4.574 109 HB3 CYS 16 HB1 CYS 16 14.441 -3.724 -3.446 110 H ARG 17 HN ARG 17 13.606 -0.275 -4.639 111 HA ARG 17 HA ARG 17 13.295 0.259 -1.905 112 HB2 ARG 17 HB2 ARG 17 12.898 2.246 -4.163 113 HB3 ARG 17 HB1 ARG 17 13.228 2.615 -2.484 114 HG2 ARG 17 HG2 ARG 17 15.361 1.201 -2.784 115 HG3 ARG 17 HG1 ARG 17 14.984 1.194 -4.491 116 HD2 ARG 17 HD2 ARG 17 16.538 3.066 -4.075 117 HD3 ARG 17 HD1 ARG 17 14.954 3.679 -4.551 118 HE ARG 17 HE ARG 17 14.744 4.611 -2.411 119 HH11 ARG 17 HH11 ARG 17 17.026 2.050 -2.447 120 HH12 ARG 17 HH12 ARG 17 17.460 2.186 -0.779 121 HH21 ARG 17 HH21 ARG 17 15.260 4.872 -0.280 122 HH22 ARG 17 HH22 ARG 17 16.443 3.843 0.469 123 HA HYP 18 HA HYP 18 8.871 1.930 -2.646 124 HB2 HYP 18 HB2 HYP 18 7.510 0.763 -4.840 125 HB3 HYP 18 HB1 HYP 18 8.198 2.385 -4.784 126 HG HYP 18 HG HYP 18 9.473 -0.176 -5.819 127 HD22 HYP 18 HD11 HYP 18 10.982 2.311 -4.922 128 HD23 HYP 18 HD12 HYP 18 11.672 0.706 -5.210 129 HD1 HYP 18 HD2 HYP 18 9.584 2.518 -6.701 130 H GLN 19 HN GLN 19 10.027 -1.121 -2.398 131 HA GLN 19 HA GLN 19 7.652 -2.667 -2.103 132 HB2 GLN 19 HB2 GLN 19 10.528 -3.026 -1.367 133 HB3 GLN 19 HB1 GLN 19 9.315 -4.194 -0.929 134 HG2 GLN 19 HG2 GLN 19 10.599 -4.487 -3.193 135 HG3 GLN 19 HG1 GLN 19 8.906 -4.906 -3.125 136 HE21 GLN 19 HE21 GLN 19 10.870 -3.971 -5.275 137 HE22 GLN 19 HE22 GLN 19 10.013 -2.774 -6.107 138 H HIS 20 HN HIS 20 6.685 -3.548 -0.494 139 HA HIS 20 HA HIS 20 6.150 -1.864 1.777 140 HB2 HIS 20 HB2 HIS 20 4.662 -3.807 2.450 141 HB3 HIS 20 HB1 HIS 20 4.400 -3.305 0.785 142 HD1 HIS 20 HD1 HIS 20 4.745 -5.120 -0.902 143 HD2 HIS 20 HD2 HIS 20 6.446 -6.172 2.649 144 HE1 HIS 20 HE1 HIS 20 5.511 -7.450 -1.168 145 H CYS 21 HN CYS 21 8.352 -4.398 1.071 146 HA CYS 21 HA CYS 21 8.989 -4.823 3.945 147 HB2 CYS 21 HB2 CYS 21 10.448 -6.633 3.139 148 HB3 CYS 21 HB1 CYS 21 8.803 -6.846 2.655 149 H CYS 22 HN CYS 22 9.924 -2.975 1.252 150 HA CYS 22 HA CYS 22 12.648 -2.421 2.347 151 HB2 CYS 22 HB2 CYS 22 12.447 -2.476 -0.247 152 HB3 CYS 22 HB1 CYS 22 11.339 -1.170 -0.163 153 HN1 NH2 23 HN1 NH2 23 9.392 -1.437 2.310 154 HN2 NH2 23 HN2 NH2 23 9.537 0.076 3.008 Start of MODEL 11 1 H1 ARG 1 HT1 ARG 1 8.586 -8.687 -1.396 2 H2 ARG 1 HT2 ARG 1 10.176 -9.015 -0.895 3 H3 ARG 1 HT3 ARG 1 9.030 -10.268 -0.959 4 HA ARG 1 HA ARG 1 8.878 -10.062 -3.325 5 HB2 ARG 1 HB2 ARG 1 9.580 -7.595 -3.365 6 HB3 ARG 1 HB1 ARG 1 11.192 -8.123 -2.940 7 HG2 ARG 1 HG2 ARG 1 11.221 -7.636 -5.287 8 HG3 ARG 1 HG1 ARG 1 11.307 -9.361 -5.171 9 HD2 ARG 1 HD2 ARG 1 8.874 -7.692 -5.901 10 HD3 ARG 1 HD1 ARG 1 9.797 -8.726 -6.957 11 HE ARG 1 HE ARG 1 8.927 -10.689 -5.768 12 HH11 ARG 1 HH11 ARG 1 7.351 -7.645 -5.110 13 HH12 ARG 1 HH12 ARG 1 5.904 -8.418 -4.569 14 HH21 ARG 1 HH21 ARG 1 7.092 -11.640 -5.080 15 HH22 ARG 1 HH22 ARG 1 5.755 -10.678 -4.541 16 H HIS 2 HN HIS 2 10.506 -11.058 -4.737 17 HA HIS 2 HA HIS 2 12.090 -13.006 -3.243 18 HB2 HIS 2 HB2 HIS 2 12.415 -14.007 -5.558 19 HB3 HIS 2 HB1 HIS 2 10.722 -13.754 -5.160 20 HD1 HIS 2 HD1 HIS 2 9.586 -11.771 -6.413 21 HD2 HIS 2 HD2 HIS 2 13.440 -12.358 -7.611 22 HE1 HIS 2 HE1 HIS 2 9.880 -10.452 -8.480 23 H GLY 3 HN GLY 3 12.713 -10.478 -5.603 24 HA2 GLY 3 HA2 GLY 3 15.644 -10.778 -5.317 25 HA3 GLY 3 HA1 GLY 3 14.813 -9.766 -6.492 26 H CYS 4 HN CYS 4 13.116 -8.318 -4.745 27 HA CYS 4 HA CYS 4 15.035 -6.439 -3.727 28 HB2 CYS 4 HB2 CYS 4 11.973 -6.407 -3.628 29 HB3 CYS 4 HB1 CYS 4 13.001 -5.119 -3.231 30 H CYS 5 HN CYS 5 13.985 -5.516 -1.414 31 HA CYS 5 HA CYS 5 14.989 -6.519 0.731 32 HB2 CYS 5 HB2 CYS 5 12.996 -5.894 2.031 33 HB3 CYS 5 HB1 CYS 5 13.656 -4.731 0.950 34 H LYS 6 HN LYS 6 15.305 -8.574 -0.107 35 HA LYS 6 HA LYS 6 13.836 -10.685 1.442 36 HB2 LYS 6 HB2 LYS 6 13.671 -10.840 -1.125 37 HB3 LYS 6 HB1 LYS 6 15.406 -10.965 -1.188 38 HG2 LYS 6 HG2 LYS 6 13.514 -12.968 0.110 39 HG3 LYS 6 HG1 LYS 6 14.305 -13.152 -1.436 40 HD2 LYS 6 HD2 LYS 6 16.547 -13.098 -0.234 41 HD3 LYS 6 HD1 LYS 6 15.669 -13.083 1.287 42 HE2 LYS 6 HE2 LYS 6 16.309 -15.381 0.751 43 HE3 LYS 6 HE1 LYS 6 14.560 -15.217 0.732 44 HZ1 LYS 6 HZ1 LYS 6 14.497 -15.262 -1.564 45 HZ2 LYS 6 HZ2 LYS 6 15.659 -16.437 -1.172 46 HZ3 LYS 6 HZ3 LYS 6 16.150 -14.908 -1.728 47 H GLY 7 HN GLY 7 16.839 -9.670 -0.091 48 HA2 GLY 7 HA2 GLY 7 18.442 -10.616 2.265 49 HA3 GLY 7 HA1 GLY 7 18.989 -10.796 0.602 50 HA HYP 8 HA HYP 8 20.671 -6.915 2.451 51 HB2 HYP 8 HB2 HYP 8 23.299 -7.195 1.757 52 HB3 HYP 8 HB1 HYP 8 22.588 -7.944 3.186 53 HG HYP 8 HG HYP 8 23.074 -9.176 0.457 54 HD22 HYP 8 HD11 HYP 8 21.189 -10.461 2.458 55 HD23 HYP 8 HD12 HYP 8 21.179 -10.571 0.685 56 HD1 HYP 8 HD2 HYP 8 23.548 -10.957 2.013 57 H LYS 9 HN LYS 9 20.284 -8.016 -0.633 58 HA LYS 9 HA LYS 9 21.040 -5.399 -1.892 59 HB2 LYS 9 HB2 LYS 9 20.780 -8.172 -3.143 60 HB3 LYS 9 HB1 LYS 9 21.159 -6.744 -4.053 61 HG2 LYS 9 HG2 LYS 9 22.865 -8.071 -1.885 62 HG3 LYS 9 HG1 LYS 9 23.196 -8.076 -3.598 63 HD2 LYS 9 HD2 LYS 9 23.244 -5.591 -1.836 64 HD3 LYS 9 HD1 LYS 9 24.643 -6.486 -2.367 65 HE2 LYS 9 HE2 LYS 9 24.380 -4.511 -3.775 66 HE3 LYS 9 HE1 LYS 9 24.099 -5.946 -4.744 67 HZ1 LYS 9 HZ1 LYS 9 21.997 -5.390 -5.107 68 HZ2 LYS 9 HZ2 LYS 9 22.494 -3.832 -4.662 69 HZ3 LYS 9 HZ3 LYS 9 21.736 -4.835 -3.525 70 H GLY 10 HN GLY 10 18.814 -6.228 -0.334 71 HA2 GLY 10 HA2 GLY 10 16.548 -6.822 -1.965 72 HA3 GLY 10 HA1 GLY 10 16.560 -6.293 -0.294 73 H CYS 11 HN CYS 11 17.447 -3.865 -0.236 74 HA CYS 11 HA CYS 11 15.521 -2.363 -2.013 75 HB2 CYS 11 HB2 CYS 11 16.737 -1.470 0.607 76 HB3 CYS 11 HB1 CYS 11 15.499 -0.632 -0.296 77 H SER 12 HN SER 12 18.214 -3.190 -2.735 78 HA SER 12 HA SER 12 19.846 -0.761 -2.803 79 HB2 SER 12 HB2 SER 12 20.891 -2.987 -2.612 80 HB3 SER 12 HB1 SER 12 20.191 -3.456 -4.173 81 HG SER 12 HG SER 12 21.814 -1.167 -3.753 82 H SER 13 HN SER 13 17.887 -2.649 -5.068 83 HA SER 13 HA SER 13 18.493 -0.986 -7.363 84 HB2 SER 13 HB2 SER 13 16.182 -2.937 -6.884 85 HB3 SER 13 HB1 SER 13 16.658 -2.272 -8.457 86 HG SER 13 HG SER 13 17.613 -4.378 -7.637 87 H ARG 14 HN ARG 14 17.115 0.502 -8.331 88 HA ARG 14 HA ARG 14 15.713 2.275 -6.508 89 HB2 ARG 14 HB2 ARG 14 16.943 3.144 -8.501 90 HB3 ARG 14 HB1 ARG 14 15.887 2.240 -9.565 91 HG2 ARG 14 HG2 ARG 14 15.221 4.617 -9.482 92 HG3 ARG 14 HG1 ARG 14 13.940 3.612 -8.842 93 HD2 ARG 14 HD2 ARG 14 14.707 4.143 -6.519 94 HD3 ARG 14 HD1 ARG 14 15.975 5.174 -7.172 95 HE ARG 14 HE ARG 14 13.107 5.760 -7.038 96 HH11 ARG 14 HH11 ARG 14 16.141 6.529 -8.537 97 HH12 ARG 14 HH12 ARG 14 15.628 8.115 -9.005 98 HH21 ARG 14 HH21 ARG 14 12.449 7.751 -7.614 99 HH22 ARG 14 HH22 ARG 14 13.505 8.819 -8.475 100 H GLU 15 HN GLU 15 15.093 -0.293 -8.530 101 HA GLU 15 HA GLU 15 12.327 -0.117 -8.974 102 HB2 GLU 15 HB2 GLU 15 13.886 -1.224 -10.466 103 HB3 GLU 15 HB1 GLU 15 14.421 -2.291 -9.183 104 HG2 GLU 15 HG2 GLU 15 12.962 -3.421 -10.707 105 HG3 GLU 15 HG1 GLU 15 12.256 -3.339 -9.092 106 H CYS 16 HN CYS 16 14.309 -1.493 -6.454 107 HA CYS 16 HA CYS 16 12.225 -3.026 -5.206 108 HB2 CYS 16 HB2 CYS 16 15.085 -2.549 -4.547 109 HB3 CYS 16 HB1 CYS 16 13.993 -3.496 -3.619 110 H ARG 17 HN ARG 17 13.778 0.007 -4.754 111 HA ARG 17 HA ARG 17 13.297 0.529 -2.047 112 HB2 ARG 17 HB2 ARG 17 12.987 2.532 -4.281 113 HB3 ARG 17 HB1 ARG 17 13.315 2.882 -2.592 114 HG2 ARG 17 HG2 ARG 17 15.403 1.252 -3.015 115 HG3 ARG 17 HG1 ARG 17 15.010 1.572 -4.683 116 HD2 ARG 17 HD2 ARG 17 16.753 3.186 -3.924 117 HD3 ARG 17 HD1 ARG 17 15.277 3.982 -4.463 118 HE ARG 17 HE ARG 17 15.022 4.775 -2.291 119 HH11 ARG 17 HH11 ARG 17 16.871 1.839 -2.255 120 HH12 ARG 17 HH12 ARG 17 17.051 1.835 -0.538 121 HH21 ARG 17 HH21 ARG 17 15.253 4.807 -0.134 122 HH22 ARG 17 HH22 ARG 17 16.136 3.556 0.687 123 HA HYP 18 HA HYP 18 8.888 2.039 -3.105 124 HB2 HYP 18 HB2 HYP 18 7.680 0.749 -5.307 125 HB3 HYP 18 HB1 HYP 18 8.328 2.388 -5.287 126 HG HYP 18 HG HYP 18 9.667 -0.176 -6.167 127 HD22 HYP 18 HD11 HYP 18 11.211 2.314 -5.327 128 HD23 HYP 18 HD12 HYP 18 11.818 0.676 -5.503 129 HD1 HYP 18 HD2 HYP 18 9.885 2.476 -7.134 130 H GLN 19 HN GLN 19 10.119 -0.867 -2.432 131 HA GLN 19 HA GLN 19 7.686 -2.422 -2.191 132 HB2 GLN 19 HB2 GLN 19 10.605 -2.900 -1.530 133 HB3 GLN 19 HB1 GLN 19 9.358 -4.024 -1.097 134 HG2 GLN 19 HG2 GLN 19 10.762 -4.098 -3.418 135 HG3 GLN 19 HG1 GLN 19 9.206 -4.859 -3.265 136 HE21 GLN 19 HE21 GLN 19 10.779 -3.639 -5.538 137 HE22 GLN 19 HE22 GLN 19 9.682 -2.611 -6.313 138 H HIS 20 HN HIS 20 6.794 -3.206 -0.353 139 HA HIS 20 HA HIS 20 6.351 -1.304 1.703 140 HB2 HIS 20 HB2 HIS 20 5.168 -3.272 2.827 141 HB3 HIS 20 HB1 HIS 20 4.686 -3.001 1.159 142 HD1 HIS 20 HD1 HIS 20 4.962 -4.998 -0.311 143 HD2 HIS 20 HD2 HIS 20 7.227 -5.419 3.042 144 HE1 HIS 20 HE1 HIS 20 5.916 -7.267 -0.409 145 H CYS 21 HN CYS 21 8.616 -3.849 1.402 146 HA CYS 21 HA CYS 21 9.625 -3.514 4.191 147 HB2 CYS 21 HB2 CYS 21 10.960 -5.573 3.685 148 HB3 CYS 21 HB1 CYS 21 9.251 -5.804 3.672 149 H CYS 22 HN CYS 22 9.791 -1.750 2.053 150 HA CYS 22 HA CYS 22 12.548 -0.802 2.150 151 HB2 CYS 22 HB2 CYS 22 10.950 -1.497 -0.262 152 HB3 CYS 22 HB1 CYS 22 12.168 -0.384 -0.521 153 HN1 NH2 23 HN1 NH2 23 9.396 -0.473 2.689 154 HN2 NH2 23 HN2 NH2 23 9.130 1.158 2.424 Start of MODEL 12 1 H1 ARG 1 HT1 ARG 1 10.440 -7.042 -5.986 2 H2 ARG 1 HT2 ARG 1 11.752 -8.043 -5.567 3 H3 ARG 1 HT3 ARG 1 11.617 -6.479 -4.915 4 HA ARG 1 HA ARG 1 10.312 -7.099 -3.300 5 HB2 ARG 1 HB2 ARG 1 8.300 -8.498 -3.660 6 HB3 ARG 1 HB1 ARG 1 8.398 -7.186 -4.806 7 HG2 ARG 1 HG2 ARG 1 8.932 -10.134 -5.402 8 HG3 ARG 1 HG1 ARG 1 7.557 -9.184 -5.889 9 HD2 ARG 1 HD2 ARG 1 9.020 -7.715 -7.274 10 HD3 ARG 1 HD1 ARG 1 10.396 -8.752 -6.882 11 HE ARG 1 HE ARG 1 8.547 -10.534 -7.837 12 HH11 ARG 1 HH11 ARG 1 9.964 -7.582 -8.998 13 HH12 ARG 1 HH12 ARG 1 9.850 -8.054 -10.659 14 HH21 ARG 1 HH21 ARG 1 8.401 -11.141 -9.939 15 HH22 ARG 1 HH22 ARG 1 8.953 -10.088 -11.201 16 H HIS 2 HN HIS 2 10.746 -10.035 -5.233 17 HA HIS 2 HA HIS 2 11.308 -11.642 -2.863 18 HB2 HIS 2 HB2 HIS 2 11.694 -13.468 -4.578 19 HB3 HIS 2 HB1 HIS 2 10.132 -12.688 -4.715 20 HD1 HIS 2 HD1 HIS 2 9.635 -12.312 -7.091 21 HD2 HIS 2 HD2 HIS 2 13.646 -11.894 -6.495 22 HE1 HIS 2 HE1 HIS 2 10.614 -11.766 -9.288 23 H GLY 3 HN GLY 3 13.148 -9.948 -5.229 24 HA2 GLY 3 HA2 GLY 3 15.744 -11.111 -4.339 25 HA3 GLY 3 HA1 GLY 3 15.502 -10.033 -5.728 26 H CYS 4 HN CYS 4 13.734 -8.295 -4.285 27 HA CYS 4 HA CYS 4 15.594 -6.453 -3.135 28 HB2 CYS 4 HB2 CYS 4 12.569 -6.461 -3.301 29 HB3 CYS 4 HB1 CYS 4 13.566 -5.100 -2.971 30 H CYS 5 HN CYS 5 14.222 -5.406 -1.063 31 HA CYS 5 HA CYS 5 14.987 -6.199 1.267 32 HB2 CYS 5 HB2 CYS 5 12.801 -5.471 2.223 33 HB3 CYS 5 HB1 CYS 5 13.606 -4.394 1.132 34 H LYS 6 HN LYS 6 15.335 -8.343 0.562 35 HA LYS 6 HA LYS 6 14.095 -10.208 2.453 36 HB2 LYS 6 HB2 LYS 6 12.884 -10.555 0.239 37 HB3 LYS 6 HB1 LYS 6 14.428 -10.807 -0.544 38 HG2 LYS 6 HG2 LYS 6 13.398 -12.941 -0.110 39 HG3 LYS 6 HG1 LYS 6 14.840 -12.804 0.869 40 HD2 LYS 6 HD2 LYS 6 13.402 -12.153 2.847 41 HD3 LYS 6 HD1 LYS 6 11.975 -12.340 1.843 42 HE2 LYS 6 HE2 LYS 6 12.352 -14.377 3.191 43 HE3 LYS 6 HE1 LYS 6 12.588 -14.751 1.490 44 HZ1 LYS 6 HZ1 LYS 6 14.317 -15.642 2.974 45 HZ2 LYS 6 HZ2 LYS 6 14.782 -14.053 3.350 46 HZ3 LYS 6 HZ3 LYS 6 14.929 -14.626 1.758 47 H GLY 7 HN GLY 7 16.541 -9.036 0.347 48 HA2 GLY 7 HA2 GLY 7 18.664 -10.545 1.780 49 HA3 GLY 7 HA1 GLY 7 18.641 -10.532 0.021 50 HA HYP 8 HA HYP 8 21.188 -7.436 2.275 51 HB2 HYP 8 HB2 HYP 8 23.522 -7.652 0.712 52 HB3 HYP 8 HB1 HYP 8 23.167 -8.499 2.207 53 HG HYP 8 HG HYP 8 23.227 -9.562 -0.528 54 HD22 HYP 8 HD11 HYP 8 20.896 -10.840 0.590 55 HD23 HYP 8 HD12 HYP 8 20.974 -9.889 -0.897 56 HD1 HYP 8 HD2 HYP 8 23.420 -11.435 0.554 57 H LYS 9 HN LYS 9 20.048 -7.190 -0.836 58 HA LYS 9 HA LYS 9 20.795 -4.293 -0.974 59 HB2 LYS 9 HB2 LYS 9 21.067 -4.461 -3.421 60 HB3 LYS 9 HB1 LYS 9 22.235 -5.468 -2.657 61 HG2 LYS 9 HG2 LYS 9 19.626 -6.394 -3.988 62 HG3 LYS 9 HG1 LYS 9 21.206 -6.478 -4.699 63 HD2 LYS 9 HD2 LYS 9 20.325 -8.101 -2.269 64 HD3 LYS 9 HD1 LYS 9 20.395 -8.658 -3.910 65 HE2 LYS 9 HE2 LYS 9 22.388 -9.409 -2.700 66 HE3 LYS 9 HE1 LYS 9 22.832 -8.323 -4.001 67 HZ1 LYS 9 HZ1 LYS 9 23.749 -8.094 -1.546 68 HZ2 LYS 9 HZ2 LYS 9 22.388 -7.090 -1.418 69 HZ3 LYS 9 HZ3 LYS 9 23.568 -6.775 -2.595 70 H GLY 10 HN GLY 10 18.720 -5.331 0.215 71 HA2 GLY 10 HA2 GLY 10 16.379 -5.779 -1.229 72 HA3 GLY 10 HA1 GLY 10 16.467 -5.252 0.448 73 H CYS 11 HN CYS 11 17.996 -2.953 -1.082 74 HA CYS 11 HA CYS 11 15.671 -1.442 -2.146 75 HB2 CYS 11 HB2 CYS 11 17.286 -0.447 0.201 76 HB3 CYS 11 HB1 CYS 11 16.049 0.454 -0.604 77 H SER 12 HN SER 12 18.381 -2.420 -3.037 78 HA SER 12 HA SER 12 19.987 -0.017 -3.434 79 HB2 SER 12 HB2 SER 12 21.382 -1.546 -4.881 80 HB3 SER 12 HB1 SER 12 21.041 -2.273 -3.305 81 HG SER 12 HG SER 12 19.782 -2.736 -5.790 82 H SER 13 HN SER 13 17.760 -1.920 -5.325 83 HA SER 13 HA SER 13 18.009 -0.143 -7.672 84 HB2 SER 13 HB2 SER 13 16.456 -2.745 -7.248 85 HB3 SER 13 HB1 SER 13 16.633 -1.897 -8.789 86 HG SER 13 HG SER 13 18.603 -2.577 -8.927 87 H ARG 14 HN ARG 14 15.950 0.454 -8.732 88 HA ARG 14 HA ARG 14 14.193 1.823 -6.820 89 HB2 ARG 14 HB2 ARG 14 14.216 1.640 -9.861 90 HB3 ARG 14 HB1 ARG 14 13.240 2.754 -8.929 91 HG2 ARG 14 HG2 ARG 14 16.295 2.704 -9.025 92 HG3 ARG 14 HG1 ARG 14 15.278 3.866 -9.841 93 HD2 ARG 14 HD2 ARG 14 15.474 3.526 -6.803 94 HD3 ARG 14 HD1 ARG 14 16.174 4.835 -7.729 95 HE ARG 14 HE ARG 14 13.371 4.557 -6.993 96 HH11 ARG 14 HH11 ARG 14 15.609 5.923 -9.263 97 HH12 ARG 14 HH12 ARG 14 14.536 7.202 -9.721 98 HH21 ARG 14 HH21 ARG 14 12.000 6.167 -7.562 99 HH22 ARG 14 HH22 ARG 14 12.465 7.343 -8.746 100 H GLU 15 HN GLU 15 14.510 -0.942 -8.660 101 HA GLU 15 HA GLU 15 11.821 -1.804 -8.850 102 HB2 GLU 15 HB2 GLU 15 13.592 -2.254 -10.524 103 HB3 GLU 15 HB1 GLU 15 14.538 -3.101 -9.318 104 HG2 GLU 15 HG2 GLU 15 12.862 -4.831 -9.137 105 HG3 GLU 15 HG1 GLU 15 11.794 -3.929 -10.215 106 H CYS 16 HN CYS 16 13.512 -1.287 -6.275 107 HA CYS 16 HA CYS 16 12.551 -3.595 -4.680 108 HB2 CYS 16 HB2 CYS 16 15.257 -2.368 -4.559 109 HB3 CYS 16 HB1 CYS 16 14.646 -3.422 -3.357 110 H ARG 17 HN ARG 17 13.560 -0.238 -4.592 111 HA ARG 17 HA ARG 17 13.055 0.261 -1.875 112 HB2 ARG 17 HB2 ARG 17 13.126 2.086 -4.294 113 HB3 ARG 17 HB1 ARG 17 12.853 2.687 -2.664 114 HG2 ARG 17 HG2 ARG 17 14.920 1.496 -2.007 115 HG3 ARG 17 HG1 ARG 17 15.144 0.994 -3.656 116 HD2 ARG 17 HD2 ARG 17 15.500 3.194 -4.479 117 HD3 ARG 17 HD1 ARG 17 14.814 3.962 -3.043 118 HE ARG 17 HE ARG 17 17.532 3.034 -3.317 119 HH11 ARG 17 HH11 ARG 17 14.796 3.264 -1.205 120 HH12 ARG 17 HH12 ARG 17 15.724 3.246 0.249 121 HH21 ARG 17 HH21 ARG 17 18.764 3.008 -1.506 122 HH22 ARG 17 HH22 ARG 17 18.039 3.104 0.074 123 HA HYP 18 HA HYP 18 8.673 1.788 -2.838 124 HB2 HYP 18 HB2 HYP 18 7.792 0.344 -5.258 125 HB3 HYP 18 HB1 HYP 18 7.686 2.057 -4.874 126 HG HYP 18 HG HYP 18 9.747 0.627 -6.433 127 HD22 HYP 18 HD11 HYP 18 10.952 2.609 -4.471 128 HD23 HYP 18 HD12 HYP 18 11.701 1.179 -5.176 129 HD1 HYP 18 HD2 HYP 18 9.208 3.359 -5.915 130 H GLN 19 HN GLN 19 9.975 -1.138 -2.425 131 HA GLN 19 HA GLN 19 7.677 -2.840 -2.249 132 HB2 GLN 19 HB2 GLN 19 10.534 -3.056 -1.394 133 HB3 GLN 19 HB1 GLN 19 9.366 -4.271 -0.989 134 HG2 GLN 19 HG2 GLN 19 10.731 -4.595 -3.179 135 HG3 GLN 19 HG1 GLN 19 9.039 -5.023 -3.184 136 HE21 GLN 19 HE21 GLN 19 11.083 -4.139 -5.301 137 HE22 GLN 19 HE22 GLN 19 10.250 -2.956 -6.179 138 H HIS 20 HN HIS 20 6.689 -3.742 -0.654 139 HA HIS 20 HA HIS 20 5.989 -2.057 1.563 140 HB2 HIS 20 HB2 HIS 20 4.605 -4.061 2.250 141 HB3 HIS 20 HB1 HIS 20 4.374 -3.652 0.556 142 HD1 HIS 20 HD1 HIS 20 4.835 -5.560 -1.007 143 HD2 HIS 20 HD2 HIS 20 6.593 -6.259 2.603 144 HE1 HIS 20 HE1 HIS 20 5.778 -7.838 -1.126 145 H CYS 21 HN CYS 21 8.356 -4.465 1.007 146 HA CYS 21 HA CYS 21 8.929 -4.789 3.903 147 HB2 CYS 21 HB2 CYS 21 10.499 -6.534 3.167 148 HB3 CYS 21 HB1 CYS 21 8.879 -6.828 2.642 149 H CYS 22 HN CYS 22 9.901 -2.955 1.186 150 HA CYS 22 HA CYS 22 12.545 -2.253 2.391 151 HB2 CYS 22 HB2 CYS 22 12.414 -2.331 -0.237 152 HB3 CYS 22 HB1 CYS 22 11.263 -1.062 -0.146 153 HN1 NH2 23 HN1 NH2 23 9.259 -1.409 2.157 154 HN2 NH2 23 HN2 NH2 23 9.280 0.105 2.864 Start of MODEL 13 1 H1 ARG 1 HT1 ARG 1 10.105 -7.515 -6.654 2 H2 ARG 1 HT2 ARG 1 11.294 -8.617 -6.139 3 H3 ARG 1 HT3 ARG 1 11.559 -6.946 -5.991 4 HA ARG 1 HA ARG 1 10.473 -6.795 -4.095 5 HB2 ARG 1 HB2 ARG 1 8.251 -7.785 -3.723 6 HB3 ARG 1 HB1 ARG 1 8.315 -7.028 -5.293 7 HG2 ARG 1 HG2 ARG 1 8.448 -10.013 -4.751 8 HG3 ARG 1 HG1 ARG 1 7.091 -9.116 -5.387 9 HD2 ARG 1 HD2 ARG 1 8.384 -8.577 -7.458 10 HD3 ARG 1 HD1 ARG 1 9.743 -9.521 -6.843 11 HE ARG 1 HE ARG 1 7.373 -11.110 -6.781 12 HH11 ARG 1 HH11 ARG 1 9.731 -9.749 -8.924 13 HH12 ARG 1 HH12 ARG 1 9.546 -11.005 -10.105 14 HH21 ARG 1 HH21 ARG 1 7.123 -12.706 -8.262 15 HH22 ARG 1 HH22 ARG 1 8.048 -12.700 -9.724 16 H HIS 2 HN HIS 2 10.429 -10.156 -5.225 17 HA HIS 2 HA HIS 2 11.151 -11.167 -2.554 18 HB2 HIS 2 HB2 HIS 2 11.163 -13.401 -3.677 19 HB3 HIS 2 HB1 HIS 2 9.699 -12.520 -4.040 20 HD1 HIS 2 HD1 HIS 2 9.201 -13.355 -6.303 21 HD2 HIS 2 HD2 HIS 2 13.115 -12.215 -6.115 22 HE1 HIS 2 HE1 HIS 2 10.082 -13.513 -8.599 23 H GLY 3 HN GLY 3 12.646 -9.782 -5.112 24 HA2 GLY 3 HA2 GLY 3 15.331 -10.986 -4.785 25 HA3 GLY 3 HA1 GLY 3 14.853 -9.776 -6.012 26 H CYS 4 HN CYS 4 13.263 -8.276 -4.042 27 HA CYS 4 HA CYS 4 15.310 -6.527 -2.969 28 HB2 CYS 4 HB2 CYS 4 12.279 -6.508 -2.739 29 HB3 CYS 4 HB1 CYS 4 13.364 -5.217 -2.420 30 H CYS 5 HN CYS 5 13.810 -5.939 -0.677 31 HA CYS 5 HA CYS 5 14.889 -6.637 1.554 32 HB2 CYS 5 HB2 CYS 5 12.789 -6.650 2.752 33 HB3 CYS 5 HB1 CYS 5 12.727 -5.512 1.424 34 H LYS 6 HN LYS 6 15.700 -8.768 0.379 35 HA LYS 6 HA LYS 6 15.114 -10.971 2.235 36 HB2 LYS 6 HB2 LYS 6 13.449 -11.256 0.405 37 HB3 LYS 6 HB1 LYS 6 14.712 -11.159 -0.803 38 HG2 LYS 6 HG2 LYS 6 15.625 -13.240 -0.214 39 HG3 LYS 6 HG1 LYS 6 14.678 -13.339 1.278 40 HD2 LYS 6 HD2 LYS 6 12.607 -13.516 -0.087 41 HD3 LYS 6 HD1 LYS 6 13.550 -13.381 -1.551 42 HE2 LYS 6 HE2 LYS 6 13.866 -15.630 0.465 43 HE3 LYS 6 HE1 LYS 6 12.993 -15.742 -1.057 44 HZ1 LYS 6 HZ1 LYS 6 15.889 -15.318 -0.650 45 HZ2 LYS 6 HZ2 LYS 6 15.127 -15.000 -2.134 46 HZ3 LYS 6 HZ3 LYS 6 15.099 -16.572 -1.492 47 H GLY 7 HN GLY 7 17.212 -8.996 0.981 48 HA2 GLY 7 HA2 GLY 7 19.527 -10.639 1.523 49 HA3 GLY 7 HA1 GLY 7 19.351 -10.313 -0.201 50 HA HYP 8 HA HYP 8 21.560 -6.939 2.132 51 HB2 HYP 8 HB2 HYP 8 24.054 -7.083 1.054 52 HB3 HYP 8 HB1 HYP 8 23.505 -8.171 2.333 53 HG HYP 8 HG HYP 8 23.589 -8.663 -0.660 54 HD22 HYP 8 HD11 HYP 8 21.950 -10.456 1.144 55 HD23 HYP 8 HD12 HYP 8 21.683 -10.029 -0.555 56 HD1 HYP 8 HD2 HYP 8 24.262 -10.752 0.232 57 H LYS 9 HN LYS 9 20.093 -7.008 -0.496 58 HA LYS 9 HA LYS 9 20.773 -4.295 -1.400 59 HB2 LYS 9 HB2 LYS 9 20.893 -4.970 -3.774 60 HB3 LYS 9 HB1 LYS 9 22.106 -5.850 -2.880 61 HG2 LYS 9 HG2 LYS 9 19.428 -6.989 -3.820 62 HG3 LYS 9 HG1 LYS 9 20.986 -7.290 -4.543 63 HD2 LYS 9 HD2 LYS 9 21.735 -8.402 -2.396 64 HD3 LYS 9 HD1 LYS 9 20.099 -8.191 -1.777 65 HE2 LYS 9 HE2 LYS 9 20.748 -9.778 -4.270 66 HE3 LYS 9 HE1 LYS 9 20.336 -10.440 -2.696 67 HZ1 LYS 9 HZ1 LYS 9 18.263 -10.348 -3.375 68 HZ2 LYS 9 HZ2 LYS 9 18.636 -9.357 -4.702 69 HZ3 LYS 9 HZ3 LYS 9 18.354 -8.664 -3.180 70 H GLY 10 HN GLY 10 18.825 -5.544 0.186 71 HA2 GLY 10 HA2 GLY 10 16.400 -6.135 -1.141 72 HA3 GLY 10 HA1 GLY 10 16.555 -5.700 0.547 73 H CYS 11 HN CYS 11 17.913 -3.267 -1.092 74 HA CYS 11 HA CYS 11 15.539 -1.766 -1.955 75 HB2 CYS 11 HB2 CYS 11 17.134 -0.800 0.419 76 HB3 CYS 11 HB1 CYS 11 15.885 0.088 -0.383 77 H SER 12 HN SER 12 18.526 -2.573 -2.577 78 HA SER 12 HA SER 12 19.840 -0.015 -2.992 79 HB2 SER 12 HB2 SER 12 21.131 -2.081 -2.622 80 HB3 SER 12 HB1 SER 12 20.460 -2.778 -4.110 81 HG SER 12 HG SER 12 21.664 -0.243 -4.160 82 H SER 13 HN SER 13 17.801 -2.081 -4.876 83 HA SER 13 HA SER 13 18.223 -0.539 -7.364 84 HB2 SER 13 HB2 SER 13 16.537 -3.028 -6.743 85 HB3 SER 13 HB1 SER 13 16.799 -2.352 -8.357 86 HG SER 13 HG SER 13 19.079 -2.496 -7.877 87 H ARG 14 HN ARG 14 16.383 0.376 -8.436 88 HA ARG 14 HA ARG 14 14.617 1.840 -6.638 89 HB2 ARG 14 HB2 ARG 14 14.719 1.614 -9.658 90 HB3 ARG 14 HB1 ARG 14 13.801 2.804 -8.759 91 HG2 ARG 14 HG2 ARG 14 16.832 2.521 -8.793 92 HG3 ARG 14 HG1 ARG 14 15.906 3.748 -9.616 93 HD2 ARG 14 HD2 ARG 14 16.104 3.371 -6.576 94 HD3 ARG 14 HD1 ARG 14 16.826 4.676 -7.493 95 HE ARG 14 HE ARG 14 14.031 4.461 -6.697 96 HH11 ARG 14 HH11 ARG 14 16.248 5.842 -8.976 97 HH12 ARG 14 HH12 ARG 14 15.195 7.159 -9.366 98 HH21 ARG 14 HH21 ARG 14 12.688 6.112 -7.174 99 HH22 ARG 14 HH22 ARG 14 13.145 7.317 -8.329 100 H GLU 15 HN GLU 15 14.776 -0.986 -8.224 101 HA GLU 15 HA GLU 15 12.115 -1.667 -8.784 102 HB2 GLU 15 HB2 GLU 15 14.089 -2.571 -9.921 103 HB3 GLU 15 HB1 GLU 15 14.701 -3.226 -8.410 104 HG2 GLU 15 HG2 GLU 15 12.745 -4.668 -8.240 105 HG3 GLU 15 HG1 GLU 15 12.154 -4.013 -9.780 106 H CYS 16 HN CYS 16 14.191 -1.767 -6.034 107 HA CYS 16 HA CYS 16 12.361 -3.391 -4.410 108 HB2 CYS 16 HB2 CYS 16 15.185 -2.545 -3.981 109 HB3 CYS 16 HB1 CYS 16 14.282 -3.531 -2.904 110 H ARG 17 HN ARG 17 13.598 -0.150 -4.459 111 HA ARG 17 HA ARG 17 13.133 0.617 -1.802 112 HB2 ARG 17 HB2 ARG 17 12.667 2.232 -4.301 113 HB3 ARG 17 HB1 ARG 17 12.870 2.891 -2.688 114 HG2 ARG 17 HG2 ARG 17 15.144 1.411 -2.830 115 HG3 ARG 17 HG1 ARG 17 14.792 1.487 -4.534 116 HD2 ARG 17 HD2 ARG 17 16.334 3.317 -3.969 117 HD3 ARG 17 HD1 ARG 17 14.791 3.935 -4.569 118 HE ARG 17 HE ARG 17 14.455 4.882 -2.462 119 HH11 ARG 17 HH11 ARG 17 16.622 2.191 -2.223 120 HH12 ARG 17 HH12 ARG 17 16.855 2.364 -0.521 121 HH21 ARG 17 HH21 ARG 17 14.725 5.137 -0.324 122 HH22 ARG 17 HH22 ARG 17 15.764 4.080 0.580 123 HA HYP 18 HA HYP 18 8.648 1.724 -2.927 124 HB2 HYP 18 HB2 HYP 18 7.464 0.407 -5.079 125 HB3 HYP 18 HB1 HYP 18 8.192 2.009 -5.166 126 HG HYP 18 HG HYP 18 9.495 -0.678 -5.781 127 HD22 HYP 18 HD11 HYP 18 10.935 1.953 -5.266 128 HD23 HYP 18 HD12 HYP 18 11.638 0.332 -5.255 129 HD1 HYP 18 HD2 HYP 18 10.139 0.427 -7.615 130 H GLN 19 HN GLN 19 10.053 -1.284 -2.430 131 HA GLN 19 HA GLN 19 7.655 -2.847 -2.243 132 HB2 GLN 19 HB2 GLN 19 10.199 -3.309 -0.629 133 HB3 GLN 19 HB1 GLN 19 8.864 -4.440 -0.809 134 HG2 GLN 19 HG2 GLN 19 11.076 -3.776 -2.723 135 HG3 GLN 19 HG1 GLN 19 10.350 -5.295 -2.311 136 HE21 GLN 19 HE21 GLN 19 10.669 -3.140 -4.593 137 HE22 GLN 19 HE22 GLN 19 9.332 -3.360 -5.573 138 H HIS 20 HN HIS 20 6.395 -3.383 -0.588 139 HA HIS 20 HA HIS 20 5.911 -1.318 1.385 140 HB2 HIS 20 HB2 HIS 20 4.136 -2.882 2.203 141 HB3 HIS 20 HB1 HIS 20 4.067 -2.780 0.451 142 HD1 HIS 20 HD1 HIS 20 4.392 -5.210 3.071 143 HD2 HIS 20 HD2 HIS 20 5.512 -5.062 -0.854 144 HE1 HIS 20 HE1 HIS 20 4.864 -7.532 2.397 145 H CYS 21 HN CYS 21 7.795 -4.109 1.086 146 HA CYS 21 HA CYS 21 8.294 -4.557 3.943 147 HB2 CYS 21 HB2 CYS 21 9.775 -6.318 3.119 148 HB3 CYS 21 HB1 CYS 21 8.226 -6.422 2.330 149 H CYS 22 HN CYS 22 9.623 -2.855 1.214 150 HA CYS 22 HA CYS 22 12.131 -2.174 2.669 151 HB2 CYS 22 HB2 CYS 22 12.210 -2.432 0.071 152 HB3 CYS 22 HB1 CYS 22 11.206 -1.036 -0.057 153 HN1 NH2 23 HN1 NH2 23 8.909 -1.278 2.233 154 HN2 NH2 23 HN2 NH2 23 8.947 0.291 2.813 Start of MODEL 14 1 H1 ARG 1 HT1 ARG 1 11.567 -7.424 -5.919 2 H2 ARG 1 HT2 ARG 1 10.693 -6.087 -5.345 3 H3 ARG 1 HT3 ARG 1 9.963 -7.194 -6.408 4 HA ARG 1 HA ARG 1 10.620 -7.509 -3.558 5 HB2 ARG 1 HB2 ARG 1 8.272 -8.267 -3.448 6 HB3 ARG 1 HB1 ARG 1 8.410 -6.680 -4.151 7 HG2 ARG 1 HG2 ARG 1 6.738 -7.869 -5.392 8 HG3 ARG 1 HG1 ARG 1 8.118 -7.652 -6.437 9 HD2 ARG 1 HD2 ARG 1 7.127 -9.914 -6.634 10 HD3 ARG 1 HD1 ARG 1 8.781 -10.033 -6.093 11 HE ARG 1 HE ARG 1 6.686 -9.919 -3.991 12 HH11 ARG 1 HH11 ARG 1 8.847 -11.852 -5.898 13 HH12 ARG 1 HH12 ARG 1 8.748 -13.206 -4.824 14 HH21 ARG 1 HH21 ARG 1 6.560 -11.626 -2.630 15 HH22 ARG 1 HH22 ARG 1 7.441 -13.082 -2.952 16 H HIS 2 HN HIS 2 11.293 -8.978 -6.393 17 HA HIS 2 HA HIS 2 11.143 -11.777 -5.375 18 HB2 HIS 2 HB2 HIS 2 11.485 -12.388 -7.775 19 HB3 HIS 2 HB1 HIS 2 10.103 -11.331 -7.572 20 HD1 HIS 2 HD1 HIS 2 11.113 -11.212 -10.252 21 HD2 HIS 2 HD2 HIS 2 12.902 -8.852 -7.438 22 HE1 HIS 2 HE1 HIS 2 12.249 -9.402 -11.479 23 H GLY 3 HN GLY 3 13.000 -9.974 -4.327 24 HA2 GLY 3 HA2 GLY 3 15.333 -11.355 -3.971 25 HA3 GLY 3 HA1 GLY 3 15.667 -10.433 -5.444 26 H CYS 4 HN CYS 4 13.546 -8.557 -4.049 27 HA CYS 4 HA CYS 4 15.394 -6.614 -3.041 28 HB2 CYS 4 HB2 CYS 4 12.382 -6.745 -3.094 29 HB3 CYS 4 HB1 CYS 4 13.321 -5.334 -2.811 30 H CYS 5 HN CYS 5 14.240 -5.512 -0.940 31 HA CYS 5 HA CYS 5 15.130 -6.293 1.332 32 HB2 CYS 5 HB2 CYS 5 13.026 -5.513 2.450 33 HB3 CYS 5 HB1 CYS 5 13.774 -4.456 1.306 34 H LYS 6 HN LYS 6 15.445 -8.422 0.728 35 HA LYS 6 HA LYS 6 14.069 -10.285 2.610 36 HB2 LYS 6 HB2 LYS 6 14.026 -12.086 0.977 37 HB3 LYS 6 HB1 LYS 6 13.309 -10.722 0.182 38 HG2 LYS 6 HG2 LYS 6 14.684 -11.632 -1.508 39 HG3 LYS 6 HG1 LYS 6 15.657 -10.313 -0.911 40 HD2 LYS 6 HD2 LYS 6 17.059 -12.193 -1.293 41 HD3 LYS 6 HD1 LYS 6 17.078 -11.832 0.409 42 HE2 LYS 6 HE2 LYS 6 15.386 -13.670 0.783 43 HE3 LYS 6 HE1 LYS 6 15.446 -14.023 -0.940 44 HZ1 LYS 6 HZ1 LYS 6 17.345 -14.605 1.146 45 HZ2 LYS 6 HZ2 LYS 6 18.032 -14.043 -0.303 46 HZ3 LYS 6 HZ3 LYS 6 17.037 -15.420 -0.313 47 H GLY 7 HN GLY 7 16.770 -8.905 1.092 48 HA2 GLY 7 HA2 GLY 7 18.665 -10.094 2.976 49 HA3 GLY 7 HA1 GLY 7 18.935 -10.524 1.287 50 HA HYP 8 HA HYP 8 21.156 -6.781 2.756 51 HB2 HYP 8 HB2 HYP 8 23.540 -7.124 1.408 52 HB3 HYP 8 HB1 HYP 8 23.159 -7.857 2.967 53 HG HYP 8 HG HYP 8 23.028 -9.075 0.206 54 HD22 HYP 8 HD11 HYP 8 21.397 -10.343 2.400 55 HD23 HYP 8 HD12 HYP 8 21.073 -10.273 0.658 56 HD1 HYP 8 HD2 HYP 8 24.113 -10.632 1.176 57 H LYS 9 HN LYS 9 20.284 -7.617 -0.415 58 HA LYS 9 HA LYS 9 20.876 -4.848 -1.435 59 HB2 LYS 9 HB2 LYS 9 20.264 -7.409 -3.010 60 HB3 LYS 9 HB1 LYS 9 20.732 -5.872 -3.706 61 HG2 LYS 9 HG2 LYS 9 22.478 -7.597 -1.903 62 HG3 LYS 9 HG1 LYS 9 22.635 -7.466 -3.641 63 HD2 LYS 9 HD2 LYS 9 23.136 -5.023 -3.394 64 HD3 LYS 9 HD1 LYS 9 23.022 -5.187 -1.648 65 HE2 LYS 9 HE2 LYS 9 24.863 -6.868 -1.681 66 HE3 LYS 9 HE1 LYS 9 24.997 -6.671 -3.425 67 HZ1 LYS 9 HZ1 LYS 9 25.078 -4.187 -2.009 68 HZ2 LYS 9 HZ2 LYS 9 26.125 -4.803 -3.196 69 HZ3 LYS 9 HZ3 LYS 9 26.332 -5.245 -1.570 70 H GLY 10 HN GLY 10 18.944 -5.403 0.374 71 HA2 GLY 10 HA2 GLY 10 16.400 -5.985 -0.639 72 HA3 GLY 10 HA1 GLY 10 16.734 -5.176 0.883 73 H CYS 11 HN CYS 11 18.124 -3.135 -0.992 74 HA CYS 11 HA CYS 11 15.765 -1.791 -2.197 75 HB2 CYS 11 HB2 CYS 11 17.401 -0.469 -0.024 76 HB3 CYS 11 HB1 CYS 11 16.123 0.280 -0.914 77 H SER 12 HN SER 12 18.104 -2.893 -3.287 78 HA SER 12 HA SER 12 20.025 -0.757 -3.833 79 HB2 SER 12 HB2 SER 12 19.676 -3.533 -5.065 80 HB3 SER 12 HB1 SER 12 21.078 -2.479 -5.329 81 HG SER 12 HG SER 12 21.538 -2.558 -3.181 82 H SER 13 HN SER 13 17.543 -2.485 -5.613 83 HA SER 13 HA SER 13 17.709 -0.610 -7.884 84 HB2 SER 13 HB2 SER 13 16.175 -3.219 -7.490 85 HB3 SER 13 HB1 SER 13 16.251 -2.296 -8.999 86 HG SER 13 HG SER 13 18.406 -3.392 -7.531 87 H ARG 14 HN ARG 14 15.600 -0.084 -8.890 88 HA ARG 14 HA ARG 14 13.947 1.397 -6.978 89 HB2 ARG 14 HB2 ARG 14 13.828 1.012 -9.993 90 HB3 ARG 14 HB1 ARG 14 12.830 2.136 -9.108 91 HG2 ARG 14 HG2 ARG 14 15.879 2.217 -9.335 92 HG3 ARG 14 HG1 ARG 14 14.768 3.273 -10.179 93 HD2 ARG 14 HD2 ARG 14 15.150 3.171 -7.143 94 HD3 ARG 14 HD1 ARG 14 15.696 4.437 -8.233 95 HE ARG 14 HE ARG 14 12.790 3.778 -8.078 96 HH11 ARG 14 HH11 ARG 14 15.374 6.072 -7.621 97 HH12 ARG 14 HH12 ARG 14 14.277 7.391 -7.408 98 HH21 ARG 14 HH21 ARG 14 11.428 5.433 -7.800 99 HH22 ARG 14 HH22 ARG 14 12.024 7.031 -7.503 100 H GLU 15 HN GLU 15 14.147 -1.465 -8.695 101 HA GLU 15 HA GLU 15 11.465 -2.335 -8.717 102 HB2 GLU 15 HB2 GLU 15 13.186 -2.974 -10.374 103 HB3 GLU 15 HB1 GLU 15 14.169 -3.688 -9.111 104 HG2 GLU 15 HG2 GLU 15 12.498 -5.376 -8.694 105 HG3 GLU 15 HG1 GLU 15 11.410 -4.607 -9.854 106 H CYS 16 HN CYS 16 13.352 -1.696 -6.228 107 HA CYS 16 HA CYS 16 12.333 -3.845 -4.447 108 HB2 CYS 16 HB2 CYS 16 15.066 -2.658 -4.423 109 HB3 CYS 16 HB1 CYS 16 14.442 -3.696 -3.208 110 H ARG 17 HN ARG 17 13.380 -0.510 -4.630 111 HA ARG 17 HA ARG 17 13.010 0.182 -1.930 112 HB2 ARG 17 HB2 ARG 17 12.941 1.873 -4.458 113 HB3 ARG 17 HB1 ARG 17 12.789 2.554 -2.849 114 HG2 ARG 17 HG2 ARG 17 14.870 1.357 -2.266 115 HG3 ARG 17 HG1 ARG 17 14.983 0.776 -3.899 116 HD2 ARG 17 HD2 ARG 17 15.296 2.941 -4.851 117 HD3 ARG 17 HD1 ARG 17 14.777 3.769 -3.378 118 HE ARG 17 HE ARG 17 17.423 2.725 -3.876 119 HH11 ARG 17 HH11 ARG 17 14.909 3.136 -1.539 120 HH12 ARG 17 HH12 ARG 17 15.958 3.120 -0.171 121 HH21 ARG 17 HH21 ARG 17 18.816 2.699 -2.187 122 HH22 ARG 17 HH22 ARG 17 18.246 2.872 -0.550 123 HA HYP 18 HA HYP 18 8.578 1.673 -2.825 124 HB2 HYP 18 HB2 HYP 18 7.653 -0.054 -5.054 125 HB3 HYP 18 HB1 HYP 18 7.453 1.676 -4.820 126 HG HYP 18 HG HYP 18 9.502 0.267 -6.371 127 HD22 HYP 18 HD11 HYP 18 10.829 2.311 -4.570 128 HD23 HYP 18 HD12 HYP 18 11.505 0.816 -5.195 129 HD1 HYP 18 HD2 HYP 18 8.929 2.004 -7.387 130 H GLN 19 HN GLN 19 9.884 -1.239 -2.229 131 HA GLN 19 HA GLN 19 7.587 -2.870 -1.716 132 HB2 GLN 19 HB2 GLN 19 10.496 -3.044 -1.043 133 HB3 GLN 19 HB1 GLN 19 9.347 -4.210 -0.473 134 HG2 GLN 19 HG2 GLN 19 10.583 -4.692 -2.719 135 HG3 GLN 19 HG1 GLN 19 8.901 -5.136 -2.577 136 HE21 GLN 19 HE21 GLN 19 10.808 -4.392 -4.862 137 HE22 GLN 19 HE22 GLN 19 9.923 -3.276 -5.784 138 H HIS 20 HN HIS 20 6.675 -3.568 0.038 139 HA HIS 20 HA HIS 20 6.263 -1.638 2.139 140 HB2 HIS 20 HB2 HIS 20 4.819 -3.455 3.119 141 HB3 HIS 20 HB1 HIS 20 4.470 -3.200 1.416 142 HD1 HIS 20 HD1 HIS 20 4.612 -5.297 0.054 143 HD2 HIS 20 HD2 HIS 20 6.716 -5.739 3.514 144 HE1 HIS 20 HE1 HIS 20 5.388 -7.638 0.095 145 H CYS 21 HN CYS 21 8.441 -4.219 1.570 146 HA CYS 21 HA CYS 21 9.249 -4.372 4.420 147 HB2 CYS 21 HB2 CYS 21 10.733 -6.195 3.667 148 HB3 CYS 21 HB1 CYS 21 9.068 -6.496 3.324 149 H CYS 22 HN CYS 22 10.055 -2.762 1.515 150 HA CYS 22 HA CYS 22 12.800 -2.066 2.471 151 HB2 CYS 22 HB2 CYS 22 12.467 -2.345 -0.113 152 HB3 CYS 22 HB1 CYS 22 11.352 -1.042 -0.034 153 HN1 NH2 23 HN1 NH2 23 9.529 -1.130 2.401 154 HN2 NH2 23 HN2 NH2 23 9.640 0.429 2.999 Start of MODEL 15 1 H1 ARG 1 HT1 ARG 1 10.267 -6.579 -3.694 2 H2 ARG 1 HT2 ARG 1 11.155 -7.099 -2.344 3 H3 ARG 1 HT3 ARG 1 9.515 -6.691 -2.178 4 HA ARG 1 HA ARG 1 8.961 -8.773 -2.516 5 HB2 ARG 1 HB2 ARG 1 9.184 -9.679 -4.830 6 HB3 ARG 1 HB1 ARG 1 8.703 -7.999 -4.860 7 HG2 ARG 1 HG2 ARG 1 11.031 -7.297 -5.330 8 HG3 ARG 1 HG1 ARG 1 11.572 -8.966 -5.252 9 HD2 ARG 1 HD2 ARG 1 10.052 -9.517 -7.149 10 HD3 ARG 1 HD1 ARG 1 9.569 -7.824 -7.245 11 HE ARG 1 HE ARG 1 12.278 -7.625 -7.424 12 HH11 ARG 1 HH11 ARG 1 9.957 -9.644 -9.035 13 HH12 ARG 1 HH12 ARG 1 10.898 -9.759 -10.481 14 HH21 ARG 1 HH21 ARG 1 13.480 -7.761 -9.254 15 HH22 ARG 1 HH22 ARG 1 12.916 -8.680 -10.610 16 H HIS 2 HN HIS 2 10.110 -10.954 -3.741 17 HA HIS 2 HA HIS 2 11.917 -11.927 -1.805 18 HB2 HIS 2 HB2 HIS 2 12.200 -13.860 -3.357 19 HB3 HIS 2 HB1 HIS 2 10.512 -13.392 -3.222 20 HD1 HIS 2 HD1 HIS 2 9.858 -11.596 -5.265 21 HD2 HIS 2 HD2 HIS 2 13.029 -14.069 -5.959 22 HE1 HIS 2 HE1 HIS 2 10.202 -11.618 -7.711 23 H GLY 3 HN GLY 3 12.578 -10.605 -4.996 24 HA2 GLY 3 HA2 GLY 3 15.462 -11.084 -4.852 25 HA3 GLY 3 HA1 GLY 3 14.627 -10.101 -6.076 26 H CYS 4 HN CYS 4 13.314 -8.291 -4.636 27 HA CYS 4 HA CYS 4 15.346 -6.455 -3.787 28 HB2 CYS 4 HB2 CYS 4 12.307 -6.371 -3.872 29 HB3 CYS 4 HB1 CYS 4 13.293 -5.028 -3.501 30 H CYS 5 HN CYS 5 14.010 -5.224 -1.763 31 HA CYS 5 HA CYS 5 14.935 -5.662 0.585 32 HB2 CYS 5 HB2 CYS 5 12.795 -4.945 1.579 33 HB3 CYS 5 HB1 CYS 5 13.434 -4.004 0.272 34 H LYS 6 HN LYS 6 15.312 -8.034 0.052 35 HA LYS 6 HA LYS 6 14.085 -9.533 2.295 36 HB2 LYS 6 HB2 LYS 6 12.827 -10.084 0.173 37 HB3 LYS 6 HB1 LYS 6 14.340 -10.570 -0.546 38 HG2 LYS 6 HG2 LYS 6 13.079 -12.529 0.197 39 HG3 LYS 6 HG1 LYS 6 14.589 -12.410 1.063 40 HD2 LYS 6 HD2 LYS 6 12.724 -13.004 2.590 41 HD3 LYS 6 HD1 LYS 6 13.421 -11.468 3.045 42 HE2 LYS 6 HE2 LYS 6 10.929 -11.407 3.088 43 HE3 LYS 6 HE1 LYS 6 11.541 -10.273 1.901 44 HZ1 LYS 6 HZ1 LYS 6 10.680 -13.033 1.257 45 HZ2 LYS 6 HZ2 LYS 6 11.057 -11.790 0.163 46 HZ3 LYS 6 HZ3 LYS 6 9.671 -11.670 1.138 47 H GLY 7 HN GLY 7 16.673 -8.831 0.163 48 HA2 GLY 7 HA2 GLY 7 18.540 -10.593 1.715 49 HA3 GLY 7 HA1 GLY 7 18.677 -10.378 -0.027 50 HA HYP 8 HA HYP 8 21.321 -7.296 2.207 51 HB2 HYP 8 HB2 HYP 8 23.699 -7.765 0.980 52 HB3 HYP 8 HB1 HYP 8 23.135 -8.727 2.345 53 HG HYP 8 HG HYP 8 22.977 -9.364 -0.619 54 HD22 HYP 8 HD11 HYP 8 21.202 -10.876 1.299 55 HD23 HYP 8 HD12 HYP 8 20.905 -10.429 -0.391 56 HD1 HYP 8 HD2 HYP 8 23.511 -10.869 1.720 57 H LYS 9 HN LYS 9 20.254 -7.808 -0.885 58 HA LYS 9 HA LYS 9 21.079 -5.084 -1.810 59 HB2 LYS 9 HB2 LYS 9 22.096 -7.057 -3.108 60 HB3 LYS 9 HB1 LYS 9 20.464 -7.564 -3.507 61 HG2 LYS 9 HG2 LYS 9 20.097 -5.315 -4.623 62 HG3 LYS 9 HG1 LYS 9 21.765 -4.915 -4.266 63 HD2 LYS 9 HD2 LYS 9 22.516 -6.873 -5.626 64 HD3 LYS 9 HD1 LYS 9 20.839 -7.250 -5.982 65 HE2 LYS 9 HE2 LYS 9 22.249 -4.648 -6.730 66 HE3 LYS 9 HE1 LYS 9 21.835 -5.949 -7.838 67 HZ1 LYS 9 HZ1 LYS 9 19.474 -5.610 -7.085 68 HZ2 LYS 9 HZ2 LYS 9 20.151 -4.379 -8.042 69 HZ3 LYS 9 HZ3 LYS 9 20.005 -4.166 -6.366 70 H GLY 10 HN GLY 10 19.108 -5.829 -0.060 71 HA2 GLY 10 HA2 GLY 10 16.549 -6.293 -1.183 72 HA3 GLY 10 HA1 GLY 10 16.894 -5.656 0.420 73 H CYS 11 HN CYS 11 18.096 -3.319 -0.106 74 HA CYS 11 HA CYS 11 16.017 -1.747 -1.618 75 HB2 CYS 11 HB2 CYS 11 17.445 -1.081 0.942 76 HB3 CYS 11 HB1 CYS 11 16.445 0.052 0.123 77 H SER 12 HN SER 12 18.520 -2.713 -2.652 78 HA SER 12 HA SER 12 20.358 -0.427 -2.776 79 HB2 SER 12 HB2 SER 12 20.315 -3.066 -4.319 80 HB3 SER 12 HB1 SER 12 21.657 -1.908 -4.327 81 HG SER 12 HG SER 12 20.514 -3.202 -2.080 82 H SER 13 HN SER 13 18.238 -2.144 -4.977 83 HA SER 13 HA SER 13 18.493 -0.089 -7.073 84 HB2 SER 13 HB2 SER 13 16.883 -2.679 -6.963 85 HB3 SER 13 HB1 SER 13 17.065 -1.651 -8.395 86 HG SER 13 HG SER 13 19.082 -2.951 -6.899 87 H ARG 14 HN ARG 14 16.729 1.032 -7.970 88 HA ARG 14 HA ARG 14 14.765 1.932 -5.960 89 HB2 ARG 14 HB2 ARG 14 15.907 3.566 -7.551 90 HB3 ARG 14 HB1 ARG 14 15.119 2.761 -8.897 91 HG2 ARG 14 HG2 ARG 14 12.888 3.330 -7.968 92 HG3 ARG 14 HG1 ARG 14 13.638 4.040 -6.553 93 HD2 ARG 14 HD2 ARG 14 14.688 5.779 -8.018 94 HD3 ARG 14 HD1 ARG 14 13.943 5.024 -9.425 95 HE ARG 14 HE ARG 14 11.884 5.956 -8.798 96 HH11 ARG 14 HH11 ARG 14 14.128 6.100 -6.154 97 HH12 ARG 14 HH12 ARG 14 13.081 7.069 -5.174 98 HH21 ARG 14 HH21 ARG 14 10.548 7.178 -7.573 99 HH22 ARG 14 HH22 ARG 14 11.025 7.690 -5.987 100 H GLU 15 HN GLU 15 15.201 -0.368 -8.269 101 HA GLU 15 HA GLU 15 12.528 -0.810 -9.122 102 HB2 GLU 15 HB2 GLU 15 14.559 -1.163 -10.533 103 HB3 GLU 15 HB1 GLU 15 15.155 -2.345 -9.382 104 HG2 GLU 15 HG2 GLU 15 13.266 -3.776 -9.813 105 HG3 GLU 15 HG1 GLU 15 12.581 -2.556 -10.895 106 H CYS 16 HN CYS 16 14.028 -1.046 -6.317 107 HA CYS 16 HA CYS 16 12.626 -3.394 -5.271 108 HB2 CYS 16 HB2 CYS 16 15.418 -2.544 -4.817 109 HB3 CYS 16 HB1 CYS 16 14.597 -3.592 -3.748 110 H ARG 17 HN ARG 17 13.736 -0.084 -4.352 111 HA ARG 17 HA ARG 17 12.687 -0.508 -1.694 112 HB2 ARG 17 HB2 ARG 17 13.452 2.005 -3.035 113 HB3 ARG 17 HB1 ARG 17 12.941 1.932 -1.355 114 HG2 ARG 17 HG2 ARG 17 14.719 0.277 -0.891 115 HG3 ARG 17 HG1 ARG 17 15.288 0.392 -2.512 116 HD2 ARG 17 HD2 ARG 17 15.176 2.621 -0.357 117 HD3 ARG 17 HD1 ARG 17 16.643 2.018 -1.132 118 HE ARG 17 HE ARG 17 14.933 4.039 -2.193 119 HH11 ARG 17 HH11 ARG 17 16.678 1.187 -3.054 120 HH12 ARG 17 HH12 ARG 17 16.767 1.585 -4.729 121 HH21 ARG 17 HH21 ARG 17 15.014 4.601 -4.237 122 HH22 ARG 17 HH22 ARG 17 15.808 3.617 -5.436 123 HA HYP 18 HA HYP 18 8.846 1.871 -3.031 124 HB2 HYP 18 HB2 HYP 18 8.284 0.442 -5.606 125 HB3 HYP 18 HB1 HYP 18 7.945 2.112 -5.156 126 HG HYP 18 HG HYP 18 9.995 1.538 -6.820 127 HD22 HYP 18 HD11 HYP 18 12.019 1.422 -4.999 128 HD23 HYP 18 HD12 HYP 18 11.177 -0.060 -5.503 129 HD1 HYP 18 HD2 HYP 18 11.079 3.241 -5.106 130 H GLN 19 HN GLN 19 10.050 -1.164 -2.747 131 HA GLN 19 HA GLN 19 7.697 -2.725 -2.747 132 HB2 GLN 19 HB2 GLN 19 10.488 -3.170 -1.850 133 HB3 GLN 19 HB1 GLN 19 9.252 -4.370 -1.656 134 HG2 GLN 19 HG2 GLN 19 10.687 -4.465 -3.841 135 HG3 GLN 19 HG1 GLN 19 8.990 -4.853 -3.933 136 HE21 GLN 19 HE21 GLN 19 11.150 -3.715 -5.828 137 HE22 GLN 19 HE22 GLN 19 10.368 -2.422 -6.589 138 H HIS 20 HN HIS 20 6.706 -3.810 -1.301 139 HA HIS 20 HA HIS 20 5.805 -2.439 1.022 140 HB2 HIS 20 HB2 HIS 20 4.546 -4.554 1.464 141 HB3 HIS 20 HB1 HIS 20 4.456 -4.156 -0.249 142 HD1 HIS 20 HD1 HIS 20 5.490 -6.825 1.923 143 HD2 HIS 20 HD2 HIS 20 6.524 -5.651 -1.847 144 HE1 HIS 20 HE1 HIS 20 6.638 -8.744 0.889 145 H CYS 21 HN CYS 21 8.330 -4.700 0.420 146 HA CYS 21 HA CYS 21 8.784 -5.181 3.306 147 HB2 CYS 21 HB2 CYS 21 10.487 -6.763 2.551 148 HB3 CYS 21 HB1 CYS 21 8.923 -7.103 1.909 149 H CYS 22 HN CYS 22 9.902 -3.080 0.773 150 HA CYS 22 HA CYS 22 12.371 -2.422 2.342 151 HB2 CYS 22 HB2 CYS 22 12.401 -2.092 -0.471 152 HB3 CYS 22 HB1 CYS 22 11.480 -0.729 -0.068 153 HN1 NH2 23 HN1 NH2 23 9.089 -1.693 1.871 154 HN2 NH2 23 HN2 NH2 23 8.969 -0.238 2.681 Start of MODEL 16 1 H1 ARG 1 HT1 ARG 1 9.009 -10.398 -0.788 2 H2 ARG 1 HT2 ARG 1 8.832 -8.746 -1.148 3 H3 ARG 1 HT3 ARG 1 10.316 -9.335 -0.572 4 HA ARG 1 HA ARG 1 9.099 -10.196 -3.124 5 HB2 ARG 1 HB2 ARG 1 9.750 -7.723 -3.052 6 HB3 ARG 1 HB1 ARG 1 11.366 -8.232 -2.616 7 HG2 ARG 1 HG2 ARG 1 11.303 -7.715 -5.019 8 HG3 ARG 1 HG1 ARG 1 11.592 -9.415 -4.816 9 HD2 ARG 1 HD2 ARG 1 9.872 -8.976 -6.585 10 HD3 ARG 1 HD1 ARG 1 9.167 -9.888 -5.262 11 HE ARG 1 HE ARG 1 7.777 -8.059 -4.829 12 HH11 ARG 1 HH11 ARG 1 10.548 -6.987 -6.629 13 HH12 ARG 1 HH12 ARG 1 9.957 -5.367 -6.777 14 HH21 ARG 1 HH21 ARG 1 7.017 -6.017 -5.022 15 HH22 ARG 1 HH22 ARG 1 7.934 -4.812 -5.862 16 H HIS 2 HN HIS 2 10.824 -11.213 -4.449 17 HA HIS 2 HA HIS 2 12.424 -13.043 -2.798 18 HB2 HIS 2 HB2 HIS 2 12.758 -14.223 -5.011 19 HB3 HIS 2 HB1 HIS 2 11.062 -13.977 -4.616 20 HD1 HIS 2 HD1 HIS 2 9.807 -12.327 -6.131 21 HD2 HIS 2 HD2 HIS 2 13.758 -12.552 -7.102 22 HE1 HIS 2 HE1 HIS 2 10.052 -11.145 -8.284 23 H GLY 3 HN GLY 3 12.993 -10.690 -5.349 24 HA2 GLY 3 HA2 GLY 3 15.926 -10.965 -5.162 25 HA3 GLY 3 HA1 GLY 3 15.044 -9.905 -6.268 26 H CYS 4 HN CYS 4 13.469 -8.472 -4.585 27 HA CYS 4 HA CYS 4 15.335 -6.596 -3.402 28 HB2 CYS 4 HB2 CYS 4 12.287 -6.663 -3.499 29 HB3 CYS 4 HB1 CYS 4 13.261 -5.342 -3.035 30 H CYS 5 HN CYS 5 13.743 -5.845 -1.267 31 HA CYS 5 HA CYS 5 14.643 -6.443 1.041 32 HB2 CYS 5 HB2 CYS 5 12.413 -6.390 2.066 33 HB3 CYS 5 HB1 CYS 5 12.567 -5.256 0.747 34 H LYS 6 HN LYS 6 15.546 -8.617 0.065 35 HA LYS 6 HA LYS 6 14.796 -10.701 1.999 36 HB2 LYS 6 HB2 LYS 6 13.432 -11.176 -0.025 37 HB3 LYS 6 HB1 LYS 6 14.859 -11.140 -1.036 38 HG2 LYS 6 HG2 LYS 6 14.224 -13.423 -0.616 39 HG3 LYS 6 HG1 LYS 6 15.757 -13.115 0.167 40 HD2 LYS 6 HD2 LYS 6 14.534 -12.770 2.364 41 HD3 LYS 6 HD1 LYS 6 13.020 -13.110 1.544 42 HE2 LYS 6 HE2 LYS 6 13.868 -15.114 2.728 43 HE3 LYS 6 HE1 LYS 6 13.841 -15.398 0.993 44 HZ1 LYS 6 HZ1 LYS 6 16.022 -15.464 2.768 45 HZ2 LYS 6 HZ2 LYS 6 16.309 -14.283 1.585 46 HZ3 LYS 6 HZ3 LYS 6 15.971 -15.881 1.123 47 H GLY 7 HN GLY 7 16.742 -9.798 -0.764 48 HA2 GLY 7 HA2 GLY 7 19.176 -11.091 0.363 49 HA3 GLY 7 HA1 GLY 7 18.967 -10.539 -1.296 50 HA HYP 8 HA HYP 8 21.309 -7.492 1.353 51 HB2 HYP 8 HB2 HYP 8 23.606 -7.291 -0.150 52 HB3 HYP 8 HB1 HYP 8 23.377 -8.478 1.131 53 HG HYP 8 HG HYP 8 23.051 -8.839 -1.858 54 HD22 HYP 8 HD11 HYP 8 21.746 -10.805 0.035 55 HD23 HYP 8 HD12 HYP 8 21.254 -10.322 -1.599 56 HD1 HYP 8 HD2 HYP 8 24.853 -9.598 -0.408 57 H LYS 9 HN LYS 9 20.132 -7.607 -1.802 58 HA LYS 9 HA LYS 9 20.537 -4.679 -2.261 59 HB2 LYS 9 HB2 LYS 9 21.386 -6.385 -3.964 60 HB3 LYS 9 HB1 LYS 9 19.726 -6.931 -4.121 61 HG2 LYS 9 HG2 LYS 9 19.062 -4.689 -4.994 62 HG3 LYS 9 HG1 LYS 9 20.692 -4.118 -4.707 63 HD2 LYS 9 HD2 LYS 9 20.373 -4.576 -7.045 64 HD3 LYS 9 HD1 LYS 9 21.579 -5.656 -6.398 65 HE2 LYS 9 HE2 LYS 9 18.675 -6.423 -6.933 66 HE3 LYS 9 HE1 LYS 9 20.026 -6.802 -7.986 67 HZ1 LYS 9 HZ1 LYS 9 20.854 -7.757 -5.614 68 HZ2 LYS 9 HZ2 LYS 9 20.122 -8.671 -6.844 69 HZ3 LYS 9 HZ3 LYS 9 19.184 -8.072 -5.561 70 H GLY 10 HN GLY 10 18.830 -5.855 -0.339 71 HA2 GLY 10 HA2 GLY 10 16.152 -6.111 -1.221 72 HA3 GLY 10 HA1 GLY 10 16.656 -5.876 0.441 73 H CYS 11 HN CYS 11 17.979 -3.304 -0.676 74 HA CYS 11 HA CYS 11 15.759 -1.584 -1.355 75 HB2 CYS 11 HB2 CYS 11 17.022 -1.362 1.378 76 HB3 CYS 11 HB1 CYS 11 16.104 -0.085 0.667 77 H SER 12 HN SER 12 17.777 -1.695 -2.914 78 HA SER 12 HA SER 12 19.434 0.749 -2.306 79 HB2 SER 12 HB2 SER 12 21.296 -0.289 -3.477 80 HB3 SER 12 HB1 SER 12 20.780 -1.255 -2.074 81 HG SER 12 HG SER 12 19.520 -2.516 -3.495 82 H SER 13 HN SER 13 17.938 -1.245 -4.756 83 HA SER 13 HA SER 13 18.355 0.827 -6.849 84 HB2 SER 13 HB2 SER 13 17.117 -1.978 -6.997 85 HB3 SER 13 HB1 SER 13 17.484 -0.940 -8.389 86 HG SER 13 HG SER 13 19.322 -1.830 -6.421 87 H ARG 14 HN ARG 14 16.300 1.349 -8.172 88 HA ARG 14 HA ARG 14 14.149 1.987 -6.257 89 HB2 ARG 14 HB2 ARG 14 14.670 2.774 -9.140 90 HB3 ARG 14 HB1 ARG 14 13.334 3.367 -8.173 91 HG2 ARG 14 HG2 ARG 14 15.033 4.224 -6.470 92 HG3 ARG 14 HG1 ARG 14 16.306 3.737 -7.574 93 HD2 ARG 14 HD2 ARG 14 14.124 5.748 -8.219 94 HD3 ARG 14 HD1 ARG 14 15.775 6.161 -7.805 95 HE ARG 14 HE ARG 14 14.864 4.844 -10.314 96 HH11 ARG 14 HH11 ARG 14 17.469 6.147 -8.404 97 HH12 ARG 14 HH12 ARG 14 18.554 6.201 -9.749 98 HH21 ARG 14 HH21 ARG 14 16.230 4.910 -12.000 99 HH22 ARG 14 HH22 ARG 14 17.851 5.492 -11.807 100 H GLU 15 HN GLU 15 14.963 -0.572 -7.643 101 HA GLU 15 HA GLU 15 12.577 -1.496 -8.920 102 HB2 GLU 15 HB2 GLU 15 14.733 -1.828 -10.004 103 HB3 GLU 15 HB1 GLU 15 15.403 -2.518 -8.543 104 HG2 GLU 15 HG2 GLU 15 14.947 -4.205 -10.146 105 HG3 GLU 15 HG1 GLU 15 13.932 -4.445 -8.739 106 H CYS 16 HN CYS 16 14.114 -1.405 -6.002 107 HA CYS 16 HA CYS 16 12.527 -3.540 -4.715 108 HB2 CYS 16 HB2 CYS 16 15.304 -2.690 -4.228 109 HB3 CYS 16 HB1 CYS 16 14.462 -3.781 -3.205 110 H ARG 17 HN ARG 17 13.972 -0.389 -4.221 111 HA ARG 17 HA ARG 17 13.084 -0.055 -1.541 112 HB2 ARG 17 HB2 ARG 17 13.933 1.978 -3.584 113 HB3 ARG 17 HB1 ARG 17 13.752 2.230 -1.845 114 HG2 ARG 17 HG2 ARG 17 15.404 0.520 -1.382 115 HG3 ARG 17 HG1 ARG 17 15.619 0.101 -3.058 116 HD2 ARG 17 HD2 ARG 17 17.480 1.529 -2.442 117 HD3 ARG 17 HD1 ARG 17 16.420 2.587 -3.342 118 HE ARG 17 HE ARG 17 16.904 2.585 -0.439 119 HH11 ARG 17 HH11 ARG 17 14.976 3.663 -3.076 120 HH12 ARG 17 HH12 ARG 17 14.291 4.992 -2.203 121 HH21 ARG 17 HH21 ARG 17 16.121 4.175 0.701 122 HH22 ARG 17 HH22 ARG 17 14.969 5.298 0.043 123 HA HYP 18 HA HYP 18 9.450 2.489 -3.158 124 HB2 HYP 18 HB2 HYP 18 8.348 1.100 -5.478 125 HB3 HYP 18 HB1 HYP 18 8.745 2.800 -5.287 126 HG HYP 18 HG HYP 18 10.202 0.796 -6.730 127 HD22 HYP 18 HD11 HYP 18 12.319 1.912 -5.063 128 HD23 HYP 18 HD12 HYP 18 11.930 0.209 -5.350 129 HD1 HYP 18 HD2 HYP 18 11.629 2.715 -6.991 130 H GLN 19 HN GLN 19 10.120 -0.710 -2.754 131 HA GLN 19 HA GLN 19 7.535 -1.879 -2.543 132 HB2 GLN 19 HB2 GLN 19 10.227 -2.652 -1.454 133 HB3 GLN 19 HB1 GLN 19 8.787 -3.586 -1.234 134 HG2 GLN 19 HG2 GLN 19 10.353 -4.174 -3.237 135 HG3 GLN 19 HG1 GLN 19 8.630 -4.341 -3.429 136 HE21 GLN 19 HE21 GLN 19 11.000 -3.832 -5.258 137 HE22 GLN 19 HE22 GLN 19 10.508 -2.546 -6.244 138 H HIS 20 HN HIS 20 6.329 -2.449 -0.976 139 HA HIS 20 HA HIS 20 6.088 -0.625 1.272 140 HB2 HIS 20 HB2 HIS 20 4.118 -2.126 1.838 141 HB3 HIS 20 HB1 HIS 20 4.069 -1.603 0.159 142 HD1 HIS 20 HD1 HIS 20 4.100 -3.468 -1.516 143 HD2 HIS 20 HD2 HIS 20 5.200 -4.862 2.152 144 HE1 HIS 20 HE1 HIS 20 4.269 -5.919 -1.731 145 H CYS 21 HN CYS 21 7.572 -3.587 0.501 146 HA CYS 21 HA CYS 21 7.948 -4.556 3.232 147 HB2 CYS 21 HB2 CYS 21 9.303 -6.280 2.177 148 HB3 CYS 21 HB1 CYS 21 7.840 -6.086 1.260 149 H CYS 22 HN CYS 22 9.483 -2.486 0.883 150 HA CYS 22 HA CYS 22 11.964 -2.265 2.509 151 HB2 CYS 22 HB2 CYS 22 12.123 -1.888 -0.173 152 HB3 CYS 22 HB1 CYS 22 11.247 -0.451 0.099 153 HN1 NH2 23 HN1 NH2 23 8.835 -1.000 2.005 154 HN2 NH2 23 HN2 NH2 23 8.906 0.365 2.964 Start of MODEL 17 1 H1 ARG 1 HT1 ARG 1 11.229 -8.338 -7.442 2 H2 ARG 1 HT2 ARG 1 12.457 -7.870 -6.369 3 H3 ARG 1 HT3 ARG 1 11.086 -6.887 -6.570 4 HA ARG 1 HA ARG 1 10.816 -8.011 -4.535 5 HB2 ARG 1 HB2 ARG 1 9.255 -9.512 -6.699 6 HB3 ARG 1 HB1 ARG 1 8.792 -9.422 -5.010 7 HG2 ARG 1 HG2 ARG 1 9.030 -7.039 -6.909 8 HG3 ARG 1 HG1 ARG 1 7.528 -7.777 -6.397 9 HD2 ARG 1 HD2 ARG 1 9.531 -6.434 -4.523 10 HD3 ARG 1 HD1 ARG 1 8.029 -5.735 -5.088 11 HE ARG 1 HE ARG 1 6.796 -7.504 -3.897 12 HH11 ARG 1 HH11 ARG 1 10.149 -7.118 -3.045 13 HH12 ARG 1 HH12 ARG 1 9.943 -7.886 -1.511 14 HH21 ARG 1 HH21 ARG 1 6.540 -8.450 -1.976 15 HH22 ARG 1 HH22 ARG 1 7.877 -8.646 -0.891 16 H HIS 2 HN HIS 2 11.836 -10.029 -7.126 17 HA HIS 2 HA HIS 2 12.150 -12.480 -5.652 18 HB2 HIS 2 HB2 HIS 2 13.442 -13.214 -7.648 19 HB3 HIS 2 HB1 HIS 2 11.990 -12.368 -8.151 20 HD1 HIS 2 HD1 HIS 2 14.582 -12.507 -9.868 21 HD2 HIS 2 HD2 HIS 2 13.587 -9.256 -7.602 22 HE1 HIS 2 HE1 HIS 2 15.773 -10.581 -10.840 23 H GLY 3 HN GLY 3 13.688 -9.613 -5.280 24 HA2 GLY 3 HA2 GLY 3 15.885 -10.798 -3.748 25 HA3 GLY 3 HA1 GLY 3 16.403 -9.883 -5.162 26 H CYS 4 HN CYS 4 13.538 -8.602 -3.892 27 HA CYS 4 HA CYS 4 14.940 -6.260 -2.925 28 HB2 CYS 4 HB2 CYS 4 11.992 -6.929 -2.988 29 HB3 CYS 4 HB1 CYS 4 12.645 -5.397 -2.587 30 H CYS 5 HN CYS 5 14.054 -5.323 -0.837 31 HA CYS 5 HA CYS 5 15.016 -6.041 1.414 32 HB2 CYS 5 HB2 CYS 5 13.006 -5.169 2.594 33 HB3 CYS 5 HB1 CYS 5 13.684 -4.186 1.341 34 H LYS 6 HN LYS 6 15.269 -8.240 0.889 35 HA LYS 6 HA LYS 6 13.832 -9.913 2.898 36 HB2 LYS 6 HB2 LYS 6 13.520 -11.765 1.381 37 HB3 LYS 6 HB1 LYS 6 12.938 -10.374 0.532 38 HG2 LYS 6 HG2 LYS 6 14.129 -11.588 -1.133 39 HG3 LYS 6 HG1 LYS 6 15.211 -10.288 -0.713 40 HD2 LYS 6 HD2 LYS 6 16.427 -12.369 -0.981 41 HD3 LYS 6 HD1 LYS 6 16.642 -11.768 0.634 42 HE2 LYS 6 HE2 LYS 6 14.841 -13.366 1.421 43 HE3 LYS 6 HE1 LYS 6 14.701 -13.964 -0.230 44 HZ1 LYS 6 HZ1 LYS 6 16.127 -15.406 0.931 45 HZ2 LYS 6 HZ2 LYS 6 17.030 -14.126 1.582 46 HZ3 LYS 6 HZ3 LYS 6 17.128 -14.476 -0.075 47 H GLY 7 HN GLY 7 16.602 -8.859 1.273 48 HA2 GLY 7 HA2 GLY 7 18.398 -10.266 3.123 49 HA3 GLY 7 HA1 GLY 7 18.610 -10.650 1.416 50 HA HYP 8 HA HYP 8 21.107 -7.065 2.872 51 HB2 HYP 8 HB2 HYP 8 23.547 -7.731 1.783 52 HB3 HYP 8 HB1 HYP 8 22.955 -8.329 3.329 53 HG HYP 8 HG HYP 8 22.954 -9.710 0.644 54 HD22 HYP 8 HD11 HYP 8 21.001 -10.696 2.705 55 HD23 HYP 8 HD12 HYP 8 20.844 -10.653 0.939 56 HD1 HYP 8 HD2 HYP 8 23.108 -10.724 3.279 57 H LYS 9 HN LYS 9 20.172 -7.950 -0.218 58 HA LYS 9 HA LYS 9 21.070 -5.371 -1.408 59 HB2 LYS 9 HB2 LYS 9 22.187 -7.404 -2.333 60 HB3 LYS 9 HB1 LYS 9 20.626 -8.121 -2.699 61 HG2 LYS 9 HG2 LYS 9 20.176 -6.108 -4.219 62 HG3 LYS 9 HG1 LYS 9 21.812 -5.591 -3.896 63 HD2 LYS 9 HD2 LYS 9 21.039 -8.225 -5.194 64 HD3 LYS 9 HD1 LYS 9 21.514 -6.784 -6.040 65 HE2 LYS 9 HE2 LYS 9 23.425 -8.309 -5.932 66 HE3 LYS 9 HE1 LYS 9 23.776 -6.915 -4.928 67 HZ1 LYS 9 HZ1 LYS 9 22.468 -9.070 -3.541 68 HZ2 LYS 9 HZ2 LYS 9 23.824 -8.145 -3.099 69 HZ3 LYS 9 HZ3 LYS 9 24.001 -9.461 -4.157 70 H GLY 10 HN GLY 10 18.994 -5.853 0.308 71 HA2 GLY 10 HA2 GLY 10 16.499 -6.507 -0.863 72 HA3 GLY 10 HA1 GLY 10 16.756 -5.622 0.632 73 H CYS 11 HN CYS 11 17.977 -3.386 -0.207 74 HA CYS 11 HA CYS 11 15.864 -2.091 -1.936 75 HB2 CYS 11 HB2 CYS 11 17.488 -0.874 0.272 76 HB3 CYS 11 HB1 CYS 11 16.352 -0.033 -0.724 77 H SER 12 HN SER 12 18.375 -3.259 -2.872 78 HA SER 12 HA SER 12 20.159 -1.041 -3.510 79 HB2 SER 12 HB2 SER 12 20.011 -3.874 -4.629 80 HB3 SER 12 HB1 SER 12 21.357 -2.748 -4.879 81 HG SER 12 HG SER 12 20.386 -3.850 -2.471 82 H SER 13 HN SER 13 17.452 -2.602 -5.024 83 HA SER 13 HA SER 13 17.856 -1.192 -7.573 84 HB2 SER 13 HB2 SER 13 15.857 -3.350 -6.766 85 HB3 SER 13 HB1 SER 13 16.046 -2.677 -8.391 86 HG SER 13 HG SER 13 18.271 -3.246 -8.254 87 H ARG 14 HN ARG 14 16.084 -0.322 -8.643 88 HA ARG 14 HA ARG 14 14.662 1.668 -7.058 89 HB2 ARG 14 HB2 ARG 14 14.813 0.994 -10.017 90 HB3 ARG 14 HB1 ARG 14 13.925 2.374 -9.412 91 HG2 ARG 14 HG2 ARG 14 16.916 1.885 -8.972 92 HG3 ARG 14 HG1 ARG 14 16.274 2.928 -10.220 93 HD2 ARG 14 HD2 ARG 14 15.792 3.392 -7.222 94 HD3 ARG 14 HD1 ARG 14 17.007 4.203 -8.179 95 HE ARG 14 HE ARG 14 15.309 5.352 -9.400 96 HH11 ARG 14 HH11 ARG 14 13.966 3.293 -6.942 97 HH12 ARG 14 HH12 ARG 14 12.422 4.069 -7.001 98 HH21 ARG 14 HH21 ARG 14 13.385 6.325 -9.472 99 HH22 ARG 14 HH22 ARG 14 12.087 5.806 -8.447 100 H GLU 15 HN GLU 15 14.296 -1.281 -8.584 101 HA GLU 15 HA GLU 15 11.523 -1.535 -8.832 102 HB2 GLU 15 HB2 GLU 15 13.098 -2.881 -10.106 103 HB3 GLU 15 HB1 GLU 15 13.844 -3.488 -8.646 104 HG2 GLU 15 HG2 GLU 15 12.395 -5.151 -9.689 105 HG3 GLU 15 HG1 GLU 15 11.847 -4.739 -8.072 106 H CYS 16 HN CYS 16 13.800 -2.143 -6.221 107 HA CYS 16 HA CYS 16 11.841 -3.430 -4.495 108 HB2 CYS 16 HB2 CYS 16 14.686 -2.661 -3.957 109 HB3 CYS 16 HB1 CYS 16 13.660 -3.663 -3.009 110 H ARG 17 HN ARG 17 13.376 -0.357 -4.769 111 HA ARG 17 HA ARG 17 13.153 0.992 -2.450 112 HB2 ARG 17 HB2 ARG 17 12.511 1.724 -5.272 113 HB3 ARG 17 HB1 ARG 17 12.213 2.938 -4.057 114 HG2 ARG 17 HG2 ARG 17 14.886 1.541 -4.147 115 HG3 ARG 17 HG1 ARG 17 14.582 2.706 -5.396 116 HD2 ARG 17 HD2 ARG 17 15.703 3.829 -3.536 117 HD3 ARG 17 HD1 ARG 17 14.050 4.402 -3.601 118 HE ARG 17 HE ARG 17 13.614 3.356 -1.550 119 HH11 ARG 17 HH11 ARG 17 16.592 2.281 -2.941 120 HH12 ARG 17 HH12 ARG 17 17.106 1.458 -1.510 121 HH21 ARG 17 HH21 ARG 17 14.205 2.322 0.258 122 HH22 ARG 17 HH22 ARG 17 15.716 1.474 0.355 123 HA HYP 18 HA HYP 18 8.555 1.912 -2.576 124 HB2 HYP 18 HB2 HYP 18 6.854 0.957 -4.476 125 HB3 HYP 18 HB1 HYP 18 7.906 2.344 -4.760 126 HG HYP 18 HG HYP 18 8.418 -0.578 -5.483 127 HD22 HYP 18 HD11 HYP 18 10.539 1.581 -5.498 128 HD23 HYP 18 HD12 HYP 18 10.771 -0.170 -5.329 129 HD1 HYP 18 HD2 HYP 18 9.035 0.392 -7.438 130 H GLN 19 HN GLN 19 9.809 -0.839 -1.932 131 HA GLN 19 HA GLN 19 7.554 -2.614 -1.571 132 HB2 GLN 19 HB2 GLN 19 10.475 -2.679 -0.955 133 HB3 GLN 19 HB1 GLN 19 9.408 -3.847 -0.239 134 HG2 GLN 19 HG2 GLN 19 10.616 -4.325 -2.532 135 HG3 GLN 19 HG1 GLN 19 9.028 -4.976 -2.225 136 HE21 GLN 19 HE21 GLN 19 10.416 -4.481 -4.762 137 HE22 GLN 19 HE22 GLN 19 9.358 -3.504 -5.658 138 H HIS 20 HN HIS 20 6.618 -3.325 0.184 139 HA HIS 20 HA HIS 20 6.076 -1.430 2.268 140 HB2 HIS 20 HB2 HIS 20 4.727 -3.272 3.264 141 HB3 HIS 20 HB1 HIS 20 4.462 -3.238 1.525 142 HD1 HIS 20 HD1 HIS 20 5.639 -5.436 4.131 143 HD2 HIS 20 HD2 HIS 20 6.088 -5.273 0.077 144 HE1 HIS 20 HE1 HIS 20 6.465 -7.653 3.434 145 H CYS 21 HN CYS 21 8.358 -3.933 1.793 146 HA CYS 21 HA CYS 21 9.230 -3.927 4.626 147 HB2 CYS 21 HB2 CYS 21 10.634 -5.826 3.976 148 HB3 CYS 21 HB1 CYS 21 8.960 -6.089 3.632 149 H CYS 22 HN CYS 22 9.995 -2.504 1.620 150 HA CYS 22 HA CYS 22 12.763 -1.809 2.517 151 HB2 CYS 22 HB2 CYS 22 12.411 -2.387 0.009 152 HB3 CYS 22 HB1 CYS 22 11.414 -0.983 -0.122 153 HN1 NH2 23 HN1 NH2 23 9.560 -0.854 2.630 154 HN2 NH2 23 HN2 NH2 23 9.740 0.779 2.948 Start of MODEL 18 1 H1 ARG 1 HT1 ARG 1 9.224 -8.619 -7.069 2 H2 ARG 1 HT2 ARG 1 8.313 -7.528 -6.139 3 H3 ARG 1 HT3 ARG 1 7.960 -9.190 -6.087 4 HA ARG 1 HA ARG 1 10.512 -7.983 -5.192 5 HB2 ARG 1 HB2 ARG 1 8.566 -7.315 -3.758 6 HB3 ARG 1 HB1 ARG 1 8.123 -9.001 -3.575 7 HG2 ARG 1 HG2 ARG 1 10.316 -9.454 -2.459 8 HG3 ARG 1 HG1 ARG 1 10.775 -7.782 -2.684 9 HD2 ARG 1 HD2 ARG 1 9.931 -8.110 -0.397 10 HD3 ARG 1 HD1 ARG 1 8.828 -7.071 -1.288 11 HE ARG 1 HE ARG 1 7.195 -8.759 -1.191 12 HH11 ARG 1 HH11 ARG 1 10.312 -10.012 -0.326 13 HH12 ARG 1 HH12 ARG 1 9.679 -11.534 0.201 14 HH21 ARG 1 HH21 ARG 1 6.375 -10.682 -0.530 15 HH22 ARG 1 HH22 ARG 1 7.420 -11.920 0.084 16 H HIS 2 HN HIS 2 11.757 -9.504 -6.073 17 HA HIS 2 HA HIS 2 11.456 -12.328 -5.146 18 HB2 HIS 2 HB2 HIS 2 12.306 -13.050 -7.391 19 HB3 HIS 2 HB1 HIS 2 10.769 -12.216 -7.495 20 HD1 HIS 2 HD1 HIS 2 11.707 -11.824 -9.999 21 HD2 HIS 2 HD2 HIS 2 13.611 -9.618 -7.136 22 HE1 HIS 2 HE1 HIS 2 12.880 -10.007 -11.182 23 H GLY 3 HN GLY 3 13.206 -9.690 -4.795 24 HA2 GLY 3 HA2 GLY 3 15.546 -11.042 -3.786 25 HA3 GLY 3 HA1 GLY 3 15.899 -10.212 -5.301 26 H CYS 4 HN CYS 4 13.498 -8.430 -3.964 27 HA CYS 4 HA CYS 4 15.285 -6.338 -3.096 28 HB2 CYS 4 HB2 CYS 4 12.243 -6.471 -3.041 29 HB3 CYS 4 HB1 CYS 4 13.229 -5.088 -2.867 30 H CYS 5 HN CYS 5 14.089 -5.245 -0.983 31 HA CYS 5 HA CYS 5 15.072 -5.860 1.304 32 HB2 CYS 5 HB2 CYS 5 12.967 -5.161 2.422 33 HB3 CYS 5 HB1 CYS 5 13.605 -4.134 1.182 34 H LYS 6 HN LYS 6 15.470 -8.085 0.747 35 HA LYS 6 HA LYS 6 14.304 -9.788 2.885 36 HB2 LYS 6 HB2 LYS 6 13.770 -11.669 1.481 37 HB3 LYS 6 HB1 LYS 6 13.077 -10.290 0.669 38 HG2 LYS 6 HG2 LYS 6 15.168 -10.299 -0.910 39 HG3 LYS 6 HG1 LYS 6 15.658 -11.734 -0.076 40 HD2 LYS 6 HD2 LYS 6 14.521 -12.348 -2.137 41 HD3 LYS 6 HD1 LYS 6 13.623 -12.919 -0.747 42 HE2 LYS 6 HE2 LYS 6 12.049 -10.992 -0.952 43 HE3 LYS 6 HE1 LYS 6 12.967 -10.388 -2.325 44 HZ1 LYS 6 HZ1 LYS 6 12.513 -12.579 -3.389 45 HZ2 LYS 6 HZ2 LYS 6 11.154 -11.586 -3.155 46 HZ3 LYS 6 HZ3 LYS 6 11.433 -12.903 -2.118 47 H GLY 7 HN GLY 7 16.662 -8.955 0.536 48 HA2 GLY 7 HA2 GLY 7 18.776 -10.589 1.883 49 HA3 GLY 7 HA1 GLY 7 18.760 -10.247 0.155 50 HA HYP 8 HA HYP 8 21.176 -7.455 3.009 51 HB2 HYP 8 HB2 HYP 8 23.644 -7.619 1.652 52 HB3 HYP 8 HB1 HYP 8 23.158 -8.540 3.067 53 HG HYP 8 HG HYP 8 23.553 -9.521 0.373 54 HD22 HYP 8 HD11 HYP 8 21.005 -10.670 0.700 55 HD23 HYP 8 HD12 HYP 8 21.371 -9.355 -0.430 56 HD1 HYP 8 HD2 HYP 8 23.034 -11.500 1.410 57 H LYS 9 HN LYS 9 20.357 -7.144 -0.205 58 HA LYS 9 HA LYS 9 20.866 -4.218 -0.155 59 HB2 LYS 9 HB2 LYS 9 21.667 -6.054 -2.451 60 HB3 LYS 9 HB1 LYS 9 21.747 -4.300 -2.529 61 HG2 LYS 9 HG2 LYS 9 23.346 -4.369 -0.549 62 HG3 LYS 9 HG1 LYS 9 23.367 -6.113 -0.691 63 HD2 LYS 9 HD2 LYS 9 24.298 -4.167 -2.831 64 HD3 LYS 9 HD1 LYS 9 25.338 -5.084 -1.771 65 HE2 LYS 9 HE2 LYS 9 25.287 -6.189 -3.937 66 HE3 LYS 9 HE1 LYS 9 24.433 -7.211 -2.794 67 HZ1 LYS 9 HZ1 LYS 9 22.736 -5.319 -4.120 68 HZ2 LYS 9 HZ2 LYS 9 22.547 -6.994 -3.904 69 HZ3 LYS 9 HZ3 LYS 9 23.497 -6.403 -5.180 70 H GLY 10 HN GLY 10 18.640 -5.411 0.427 71 HA2 GLY 10 HA2 GLY 10 16.859 -5.847 -1.819 72 HA3 GLY 10 HA1 GLY 10 16.439 -5.809 -0.118 73 H CYS 11 HN CYS 11 18.206 -3.177 -1.165 74 HA CYS 11 HA CYS 11 15.886 -1.485 -1.897 75 HB2 CYS 11 HB2 CYS 11 17.652 -1.076 0.493 76 HB3 CYS 11 HB1 CYS 11 16.717 0.218 -0.144 77 H SER 12 HN SER 12 18.451 -2.494 -3.031 78 HA SER 12 HA SER 12 19.909 0.031 -3.607 79 HB2 SER 12 HB2 SER 12 21.243 -1.934 -2.935 80 HB3 SER 12 HB1 SER 12 20.566 -2.873 -4.276 81 HG SER 12 HG SER 12 21.753 -0.349 -4.703 82 H SER 13 HN SER 13 17.667 -2.174 -4.985 83 HA SER 13 HA SER 13 18.077 -1.178 -7.750 84 HB2 SER 13 HB2 SER 13 16.201 -3.338 -6.658 85 HB3 SER 13 HB1 SER 13 16.555 -3.005 -8.361 86 HG SER 13 HG SER 13 18.722 -3.402 -7.958 87 H ARG 14 HN ARG 14 16.035 -0.471 -8.910 88 HA ARG 14 HA ARG 14 14.591 1.467 -7.238 89 HB2 ARG 14 HB2 ARG 14 14.615 0.902 -10.207 90 HB3 ARG 14 HB1 ARG 14 13.794 2.248 -9.443 91 HG2 ARG 14 HG2 ARG 14 16.809 1.728 -9.416 92 HG3 ARG 14 HG1 ARG 14 15.991 2.971 -10.336 93 HD2 ARG 14 HD2 ARG 14 15.231 4.045 -8.149 94 HD3 ARG 14 HD1 ARG 14 16.138 2.821 -7.279 95 HE ARG 14 HE ARG 14 18.137 3.871 -7.842 96 HH11 ARG 14 HH11 ARG 14 15.514 5.156 -9.712 97 HH12 ARG 14 HH12 ARG 14 16.455 6.471 -10.330 98 HH21 ARG 14 HH21 ARG 14 19.341 5.525 -8.617 99 HH22 ARG 14 HH22 ARG 14 18.651 6.683 -9.704 100 H GLU 15 HN GLU 15 14.381 -1.481 -8.695 101 HA GLU 15 HA GLU 15 11.549 -1.821 -8.626 102 HB2 GLU 15 HB2 GLU 15 12.252 -4.038 -9.603 103 HB3 GLU 15 HB1 GLU 15 12.783 -2.670 -10.534 104 HG2 GLU 15 HG2 GLU 15 15.017 -2.909 -9.567 105 HG3 GLU 15 HG1 GLU 15 14.487 -4.222 -8.515 106 H CYS 16 HN CYS 16 13.310 -1.407 -6.238 107 HA CYS 16 HA CYS 16 12.350 -3.567 -4.471 108 HB2 CYS 16 HB2 CYS 16 15.177 -2.633 -4.660 109 HB3 CYS 16 HB1 CYS 16 14.559 -3.575 -3.365 110 H ARG 17 HN ARG 17 13.561 -0.345 -4.834 111 HA ARG 17 HA ARG 17 13.580 0.637 -2.227 112 HB2 ARG 17 HB2 ARG 17 12.373 2.309 -4.485 113 HB3 ARG 17 HB1 ARG 17 13.243 2.865 -3.087 114 HG2 ARG 17 HG2 ARG 17 14.355 1.290 -5.353 115 HG3 ARG 17 HG1 ARG 17 14.578 3.002 -5.184 116 HD2 ARG 17 HD2 ARG 17 15.744 0.897 -3.325 117 HD3 ARG 17 HD1 ARG 17 16.620 1.883 -4.480 118 HE ARG 17 HE ARG 17 16.143 3.862 -3.175 119 HH11 ARG 17 HH11 ARG 17 15.201 0.870 -1.693 120 HH12 ARG 17 HH12 ARG 17 15.057 1.572 -0.124 121 HH21 ARG 17 HH21 ARG 17 16.001 4.748 -1.219 122 HH22 ARG 17 HH22 ARG 17 15.540 3.798 0.161 123 HA HYP 18 HA HYP 18 9.128 1.953 -2.357 124 HB2 HYP 18 HB2 HYP 18 7.403 1.386 -4.339 125 HB3 HYP 18 HB1 HYP 18 8.674 2.590 -4.558 126 HG HYP 18 HG HYP 18 8.605 -0.284 -5.519 127 HD22 HYP 18 HD11 HYP 18 11.297 0.955 -5.408 128 HD23 HYP 18 HD12 HYP 18 10.848 -0.666 -4.899 129 HD1 HYP 18 HD2 HYP 18 9.842 2.018 -6.593 130 H GLN 19 HN GLN 19 10.141 -1.062 -2.184 131 HA GLN 19 HA GLN 19 7.762 -2.606 -1.958 132 HB2 GLN 19 HB2 GLN 19 10.643 -2.969 -1.248 133 HB3 GLN 19 HB1 GLN 19 9.450 -4.131 -0.729 134 HG2 GLN 19 HG2 GLN 19 10.632 -4.536 -3.008 135 HG3 GLN 19 HG1 GLN 19 8.917 -4.848 -2.916 136 HE21 GLN 19 HE21 GLN 19 10.899 -4.068 -5.134 137 HE22 GLN 19 HE22 GLN 19 10.098 -2.826 -5.953 138 H HIS 20 HN HIS 20 6.752 -3.460 -0.305 139 HA HIS 20 HA HIS 20 6.090 -1.762 1.872 140 HB2 HIS 20 HB2 HIS 20 4.784 -3.721 2.697 141 HB3 HIS 20 HB1 HIS 20 4.580 -3.549 0.959 142 HD1 HIS 20 HD1 HIS 20 5.544 -5.993 3.372 143 HD2 HIS 20 HD2 HIS 20 6.513 -5.352 -0.541 144 HE1 HIS 20 HE1 HIS 20 6.511 -8.103 2.538 145 H CYS 21 HN CYS 21 8.484 -4.183 1.453 146 HA CYS 21 HA CYS 21 9.144 -4.225 4.349 147 HB2 CYS 21 HB2 CYS 21 10.656 -6.070 3.754 148 HB3 CYS 21 HB1 CYS 21 9.003 -6.380 3.348 149 H CYS 22 HN CYS 22 10.077 -2.707 1.443 150 HA CYS 22 HA CYS 22 12.766 -1.977 2.530 151 HB2 CYS 22 HB2 CYS 22 12.548 -2.487 -0.038 152 HB3 CYS 22 HB1 CYS 22 11.578 -1.086 -0.174 153 HN1 NH2 23 HN1 NH2 23 9.542 -1.102 2.509 154 HN2 NH2 23 HN2 NH2 23 9.666 0.528 2.860 Start of MODEL 19 1 H1 ARG 1 HT1 ARG 1 10.690 -8.644 -7.531 2 H2 ARG 1 HT2 ARG 1 12.057 -8.061 -6.710 3 H3 ARG 1 HT3 ARG 1 10.835 -6.984 -7.197 4 HA ARG 1 HA ARG 1 10.587 -7.311 -4.915 5 HB2 ARG 1 HB2 ARG 1 8.479 -7.298 -6.191 6 HB3 ARG 1 HB1 ARG 1 8.612 -9.016 -6.483 7 HG2 ARG 1 HG2 ARG 1 6.981 -8.612 -4.718 8 HG3 ARG 1 HG1 ARG 1 8.349 -9.451 -4.033 9 HD2 ARG 1 HD2 ARG 1 7.939 -6.465 -3.890 10 HD3 ARG 1 HD1 ARG 1 7.463 -7.567 -2.607 11 HE ARG 1 HE ARG 1 10.203 -6.723 -3.288 12 HH11 ARG 1 HH11 ARG 1 8.129 -8.827 -1.456 13 HH12 ARG 1 HH12 ARG 1 9.355 -9.181 -0.288 14 HH21 ARG 1 HH21 ARG 1 11.756 -7.177 -1.810 15 HH22 ARG 1 HH22 ARG 1 11.416 -8.238 -0.489 16 H HIS 2 HN HIS 2 10.540 -10.363 -6.625 17 HA HIS 2 HA HIS 2 10.758 -12.087 -4.333 18 HB2 HIS 2 HB2 HIS 2 11.224 -13.842 -6.077 19 HB3 HIS 2 HB1 HIS 2 9.837 -12.847 -6.493 20 HD1 HIS 2 HD1 HIS 2 10.902 -13.924 -8.904 21 HD2 HIS 2 HD2 HIS 2 12.762 -10.646 -7.330 22 HE1 HIS 2 HE1 HIS 2 12.177 -12.895 -10.745 23 H GLY 3 HN GLY 3 12.846 -9.890 -4.906 24 HA2 GLY 3 HA2 GLY 3 15.173 -11.396 -3.916 25 HA3 GLY 3 HA1 GLY 3 15.394 -10.623 -5.489 26 H CYS 4 HN CYS 4 13.262 -8.684 -4.103 27 HA CYS 4 HA CYS 4 15.187 -6.670 -3.356 28 HB2 CYS 4 HB2 CYS 4 12.158 -6.780 -3.502 29 HB3 CYS 4 HB1 CYS 4 13.043 -5.356 -3.139 30 H CYS 5 HN CYS 5 13.910 -5.398 -1.341 31 HA CYS 5 HA CYS 5 14.848 -5.853 1.018 32 HB2 CYS 5 HB2 CYS 5 12.755 -5.081 2.056 33 HB3 CYS 5 HB1 CYS 5 13.372 -4.143 0.742 34 H LYS 6 HN LYS 6 15.246 -8.119 0.571 35 HA LYS 6 HA LYS 6 13.927 -9.768 2.670 36 HB2 LYS 6 HB2 LYS 6 14.623 -10.788 -0.133 37 HB3 LYS 6 HB1 LYS 6 14.072 -11.802 1.172 38 HG2 LYS 6 HG2 LYS 6 12.466 -9.590 -0.176 39 HG3 LYS 6 HG1 LYS 6 12.253 -11.295 -0.438 40 HD2 LYS 6 HD2 LYS 6 11.774 -9.870 2.224 41 HD3 LYS 6 HD1 LYS 6 10.532 -10.386 1.111 42 HE2 LYS 6 HE2 LYS 6 11.232 -12.758 1.429 43 HE3 LYS 6 HE1 LYS 6 12.481 -12.239 2.553 44 HZ1 LYS 6 HZ1 LYS 6 10.617 -11.138 3.814 45 HZ2 LYS 6 HZ2 LYS 6 10.703 -12.833 3.871 46 HZ3 LYS 6 HZ3 LYS 6 9.561 -12.074 2.868 47 H GLY 7 HN GLY 7 16.672 -8.883 0.762 48 HA2 GLY 7 HA2 GLY 7 18.475 -10.262 2.696 49 HA3 GLY 7 HA1 GLY 7 18.703 -10.517 0.975 50 HA HYP 8 HA HYP 8 21.384 -7.327 2.692 51 HB2 HYP 8 HB2 HYP 8 23.706 -7.844 1.423 52 HB3 HYP 8 HB1 HYP 8 23.069 -8.911 2.676 53 HG HYP 8 HG HYP 8 22.896 -9.212 -0.336 54 HD22 HYP 8 HD11 HYP 8 21.001 -10.834 1.338 55 HD23 HYP 8 HD12 HYP 8 20.726 -10.072 -0.239 56 HD1 HYP 8 HD2 HYP 8 23.014 -11.500 0.629 57 H LYS 9 HN LYS 9 20.148 -7.407 -0.382 58 HA LYS 9 HA LYS 9 21.031 -4.610 -0.922 59 HB2 LYS 9 HB2 LYS 9 22.491 -6.174 -2.206 60 HB3 LYS 9 HB1 LYS 9 21.089 -6.921 -2.943 61 HG2 LYS 9 HG2 LYS 9 20.574 -4.719 -4.070 62 HG3 LYS 9 HG1 LYS 9 21.969 -4.019 -3.262 63 HD2 LYS 9 HD2 LYS 9 23.453 -5.600 -4.451 64 HD3 LYS 9 HD1 LYS 9 22.064 -6.361 -5.208 65 HE2 LYS 9 HE2 LYS 9 23.127 -4.717 -6.744 66 HE3 LYS 9 HE1 LYS 9 21.497 -4.206 -6.334 67 HZ1 LYS 9 HZ1 LYS 9 22.241 -2.508 -5.064 68 HZ2 LYS 9 HZ2 LYS 9 23.503 -2.574 -6.198 69 HZ3 LYS 9 HZ3 LYS 9 23.704 -3.270 -4.661 70 H GLY 10 HN GLY 10 18.738 -6.076 0.134 71 HA2 GLY 10 HA2 GLY 10 16.580 -6.111 -1.735 72 HA3 GLY 10 HA1 GLY 10 16.456 -6.139 0.015 73 H CYS 11 HN CYS 11 18.235 -3.511 -0.518 74 HA CYS 11 HA CYS 11 16.076 -1.671 -1.280 75 HB2 CYS 11 HB2 CYS 11 17.512 -1.592 1.368 76 HB3 CYS 11 HB1 CYS 11 16.727 -0.191 0.721 77 H SER 12 HN SER 12 18.024 -2.142 -2.881 78 HA SER 12 HA SER 12 19.894 0.201 -2.632 79 HB2 SER 12 HB2 SER 12 20.345 -2.424 -4.089 80 HB3 SER 12 HB1 SER 12 21.497 -1.075 -3.955 81 HG SER 12 HG SER 12 20.485 -2.769 -1.942 82 H SER 13 HN SER 13 18.180 -1.929 -4.835 83 HA SER 13 HA SER 13 18.337 -0.086 -7.087 84 HB2 SER 13 HB2 SER 13 16.790 -2.700 -6.713 85 HB3 SER 13 HB1 SER 13 16.993 -1.853 -8.256 86 HG SER 13 HG SER 13 18.606 -3.529 -7.598 87 H ARG 14 HN ARG 14 16.302 0.374 -8.291 88 HA ARG 14 HA ARG 14 14.375 1.729 -6.519 89 HB2 ARG 14 HB2 ARG 14 13.789 2.894 -8.623 90 HB3 ARG 14 HB1 ARG 14 15.502 3.019 -8.282 91 HG2 ARG 14 HG2 ARG 14 15.937 1.130 -9.895 92 HG3 ARG 14 HG1 ARG 14 14.221 1.060 -10.251 93 HD2 ARG 14 HD2 ARG 14 14.268 3.360 -11.131 94 HD3 ARG 14 HD1 ARG 14 15.962 3.530 -10.696 95 HE ARG 14 HE ARG 14 14.896 2.065 -12.985 96 HH11 ARG 14 HH11 ARG 14 17.535 2.398 -10.760 97 HH12 ARG 14 HH12 ARG 14 18.685 1.692 -11.843 98 HH21 ARG 14 HH21 ARG 14 16.343 1.163 -14.371 99 HH22 ARG 14 HH22 ARG 14 18.003 0.983 -13.911 100 H GLU 15 HN GLU 15 14.863 -1.079 -8.087 101 HA GLU 15 HA GLU 15 12.147 -1.685 -8.773 102 HB2 GLU 15 HB2 GLU 15 14.022 -2.169 -10.332 103 HB3 GLU 15 HB1 GLU 15 14.805 -3.141 -9.103 104 HG2 GLU 15 HG2 GLU 15 12.972 -4.732 -9.137 105 HG3 GLU 15 HG1 GLU 15 12.089 -3.708 -10.271 106 H CYS 16 HN CYS 16 13.857 -1.545 -6.087 107 HA CYS 16 HA CYS 16 12.511 -3.800 -4.720 108 HB2 CYS 16 HB2 CYS 16 15.333 -2.974 -4.470 109 HB3 CYS 16 HB1 CYS 16 14.569 -4.034 -3.362 110 H ARG 17 HN ARG 17 14.006 -0.649 -4.225 111 HA ARG 17 HA ARG 17 13.283 -0.462 -1.480 112 HB2 ARG 17 HB2 ARG 17 14.031 1.482 -3.496 113 HB3 ARG 17 HB1 ARG 17 13.795 1.942 -1.804 114 HG2 ARG 17 HG2 ARG 17 15.526 0.332 -1.109 115 HG3 ARG 17 HG1 ARG 17 15.803 -0.166 -2.774 116 HD2 ARG 17 HD2 ARG 17 16.359 2.615 -1.592 117 HD3 ARG 17 HD1 ARG 17 17.562 1.449 -2.112 118 HE ARG 17 HE ARG 17 17.072 1.890 -4.359 119 HH11 ARG 17 HH11 ARG 17 14.861 3.410 -2.183 120 HH12 ARG 17 HH12 ARG 17 14.076 4.341 -3.406 121 HH21 ARG 17 HH21 ARG 17 16.151 2.999 -5.923 122 HH22 ARG 17 HH22 ARG 17 14.843 4.109 -5.616 123 HA HYP 18 HA HYP 18 9.487 2.006 -2.606 124 HB2 HYP 18 HB2 HYP 18 8.105 1.115 -4.912 125 HB3 HYP 18 HB1 HYP 18 8.965 2.634 -4.717 126 HG HYP 18 HG HYP 18 9.843 0.120 -6.079 127 HD22 HYP 18 HD11 HYP 18 12.059 1.758 -4.863 128 HD23 HYP 18 HD12 HYP 18 11.962 0.011 -5.141 129 HD1 HYP 18 HD2 HYP 18 10.565 2.855 -6.263 130 H GLN 19 HN GLN 19 10.274 -1.062 -2.236 131 HA GLN 19 HA GLN 19 7.743 -2.367 -2.239 132 HB2 GLN 19 HB2 GLN 19 10.482 -3.067 -1.294 133 HB3 GLN 19 HB1 GLN 19 9.133 -4.115 -0.986 134 HG2 GLN 19 HG2 GLN 19 10.493 -4.575 -3.136 135 HG3 GLN 19 HG1 GLN 19 8.756 -4.694 -3.207 136 HE21 GLN 19 HE21 GLN 19 10.962 -4.148 -5.237 137 HE22 GLN 19 HE22 GLN 19 10.398 -2.805 -6.096 138 H HIS 20 HN HIS 20 6.755 -3.453 -0.712 139 HA HIS 20 HA HIS 20 5.828 -1.929 1.501 140 HB2 HIS 20 HB2 HIS 20 4.590 -4.033 2.087 141 HB3 HIS 20 HB1 HIS 20 4.494 -3.734 0.355 142 HD1 HIS 20 HD1 HIS 20 5.572 -6.273 2.670 143 HD2 HIS 20 HD2 HIS 20 6.562 -5.289 -1.164 144 HE1 HIS 20 HE1 HIS 20 6.740 -8.230 1.725 145 H CYS 21 HN CYS 21 8.301 -4.290 1.083 146 HA CYS 21 HA CYS 21 8.838 -4.440 3.989 147 HB2 CYS 21 HB2 CYS 21 10.396 -6.237 3.381 148 HB3 CYS 21 HB1 CYS 21 8.759 -6.541 2.918 149 H CYS 22 HN CYS 22 10.001 -2.733 1.180 150 HA CYS 22 HA CYS 22 12.630 -2.247 2.535 151 HB2 CYS 22 HB2 CYS 22 12.502 -1.858 -0.294 152 HB3 CYS 22 HB1 CYS 22 11.632 -0.502 0.236 153 HN1 NH2 23 HN1 NH2 23 9.414 -1.177 2.153 154 HN2 NH2 23 HN2 NH2 23 9.439 0.255 3.007 Start of MODEL 20 1 H1 ARG 1 HT1 ARG 1 11.194 -6.302 -3.587 2 H2 ARG 1 HT2 ARG 1 10.565 -6.572 -5.135 3 H3 ARG 1 HT3 ARG 1 12.091 -7.200 -4.719 4 HA ARG 1 HA ARG 1 9.961 -8.000 -2.971 5 HB2 ARG 1 HB2 ARG 1 8.997 -9.641 -4.593 6 HB3 ARG 1 HB1 ARG 1 8.719 -7.999 -5.099 7 HG2 ARG 1 HG2 ARG 1 10.924 -9.745 -6.261 8 HG3 ARG 1 HG1 ARG 1 9.341 -9.558 -6.975 9 HD2 ARG 1 HD2 ARG 1 9.818 -7.117 -7.273 10 HD3 ARG 1 HD1 ARG 1 11.433 -7.350 -6.620 11 HE ARG 1 HE ARG 1 10.405 -8.539 -9.147 12 HH11 ARG 1 HH11 ARG 1 13.087 -7.790 -7.046 13 HH12 ARG 1 HH12 ARG 1 14.252 -8.208 -8.251 14 HH21 ARG 1 HH21 ARG 1 11.872 -9.066 -10.638 15 HH22 ARG 1 HH22 ARG 1 13.566 -8.938 -10.302 16 H HIS 2 HN HIS 2 10.632 -10.684 -4.619 17 HA HIS 2 HA HIS 2 12.173 -12.028 -2.826 18 HB2 HIS 2 HB2 HIS 2 12.768 -13.564 -4.720 19 HB3 HIS 2 HB1 HIS 2 11.081 -13.090 -4.693 20 HD1 HIS 2 HD1 HIS 2 10.264 -12.255 -6.861 21 HD2 HIS 2 HD2 HIS 2 14.317 -11.797 -6.686 22 HE1 HIS 2 HE1 HIS 2 10.963 -11.387 -9.063 23 H GLY 3 HN GLY 3 13.492 -9.877 -5.251 24 HA2 GLY 3 HA2 GLY 3 16.286 -10.640 -4.636 25 HA3 GLY 3 HA1 GLY 3 15.763 -9.449 -5.835 26 H CYS 4 HN CYS 4 14.098 -7.889 -4.360 27 HA CYS 4 HA CYS 4 15.905 -6.198 -2.927 28 HB2 CYS 4 HB2 CYS 4 12.893 -6.043 -3.024 29 HB3 CYS 4 HB1 CYS 4 14.032 -4.766 -2.810 30 H CYS 5 HN CYS 5 14.505 -5.294 -0.808 31 HA CYS 5 HA CYS 5 15.134 -6.343 1.477 32 HB2 CYS 5 HB2 CYS 5 12.891 -5.615 2.373 33 HB3 CYS 5 HB1 CYS 5 13.862 -4.476 1.520 34 H LYS 6 HN LYS 6 15.363 -8.435 0.527 35 HA LYS 6 HA LYS 6 14.108 -10.468 2.212 36 HB2 LYS 6 HB2 LYS 6 14.351 -10.784 -0.838 37 HB3 LYS 6 HB1 LYS 6 13.904 -12.062 0.260 38 HG2 LYS 6 HG2 LYS 6 12.286 -9.534 -0.255 39 HG3 LYS 6 HG1 LYS 6 11.937 -11.120 -0.906 40 HD2 LYS 6 HD2 LYS 6 11.636 -12.015 1.406 41 HD3 LYS 6 HD1 LYS 6 11.919 -10.415 2.064 42 HE2 LYS 6 HE2 LYS 6 9.656 -11.185 0.176 43 HE3 LYS 6 HE1 LYS 6 9.501 -10.821 1.886 44 HZ1 LYS 6 HZ1 LYS 6 10.507 -8.605 1.327 45 HZ2 LYS 6 HZ2 LYS 6 8.921 -8.876 0.780 46 HZ3 LYS 6 HZ3 LYS 6 10.226 -8.990 -0.302 47 H GLY 7 HN GLY 7 16.394 -9.302 -0.127 48 HA2 GLY 7 HA2 GLY 7 18.630 -10.759 1.186 49 HA3 GLY 7 HA1 GLY 7 18.414 -10.888 -0.555 50 HA HYP 8 HA HYP 8 21.519 -7.792 0.732 51 HB2 HYP 8 HB2 HYP 8 22.953 -8.075 -1.766 52 HB3 HYP 8 HB1 HYP 8 23.428 -8.574 -0.159 53 HG HYP 8 HG HYP 8 22.501 -10.229 -2.344 54 HD22 HYP 8 HD11 HYP 8 20.801 -11.169 -0.190 55 HD23 HYP 8 HD12 HYP 8 20.309 -10.668 -1.804 56 HD1 HYP 8 HD2 HYP 8 22.804 -11.848 -0.604 57 H LYS 9 HN LYS 9 19.560 -7.668 -2.057 58 HA LYS 9 HA LYS 9 20.274 -4.842 -2.678 59 HB2 LYS 9 HB2 LYS 9 18.462 -6.851 -4.108 60 HB3 LYS 9 HB1 LYS 9 18.725 -5.231 -4.676 61 HG2 LYS 9 HG2 LYS 9 20.131 -6.733 -5.970 62 HG3 LYS 9 HG1 LYS 9 21.147 -5.708 -4.992 63 HD2 LYS 9 HD2 LYS 9 21.966 -8.040 -5.027 64 HD3 LYS 9 HD1 LYS 9 21.583 -7.552 -3.411 65 HE2 LYS 9 HE2 LYS 9 20.722 -9.832 -3.882 66 HE3 LYS 9 HE1 LYS 9 19.363 -8.759 -3.617 67 HZ1 LYS 9 HZ1 LYS 9 18.749 -8.855 -5.778 68 HZ2 LYS 9 HZ2 LYS 9 19.511 -10.367 -5.683 69 HZ3 LYS 9 HZ3 LYS 9 20.338 -9.044 -6.349 70 H GLY 10 HN GLY 10 19.081 -5.678 -0.272 71 HA2 GLY 10 HA2 GLY 10 16.514 -5.675 0.323 72 HA3 GLY 10 HA1 GLY 10 17.628 -4.699 1.247 73 H CYS 11 HN CYS 11 18.257 -2.991 -0.687 74 HA CYS 11 HA CYS 11 15.991 -1.532 -1.801 75 HB2 CYS 11 HB2 CYS 11 17.361 -0.305 0.618 76 HB3 CYS 11 HB1 CYS 11 16.168 0.459 -0.379 77 H SER 12 HN SER 12 17.885 -2.224 -3.257 78 HA SER 12 HA SER 12 19.944 -0.045 -3.383 79 HB2 SER 12 HB2 SER 12 21.339 -1.684 -4.653 80 HB3 SER 12 HB1 SER 12 20.884 -2.359 -3.080 81 HG SER 12 HG SER 12 19.655 -2.784 -5.593 82 H SER 13 HN SER 13 17.533 -1.852 -5.138 83 HA SER 13 HA SER 13 18.020 -0.296 -7.604 84 HB2 SER 13 HB2 SER 13 16.185 -2.684 -7.112 85 HB3 SER 13 HB1 SER 13 16.594 -1.926 -8.664 86 HG SER 13 HG SER 13 18.484 -2.952 -6.838 87 H ARG 14 HN ARG 14 15.864 0.021 -8.840 88 HA ARG 14 HA ARG 14 14.242 1.916 -7.256 89 HB2 ARG 14 HB2 ARG 14 14.281 1.237 -10.223 90 HB3 ARG 14 HB1 ARG 14 13.483 2.607 -9.483 91 HG2 ARG 14 HG2 ARG 14 16.493 2.156 -9.692 92 HG3 ARG 14 HG1 ARG 14 15.560 3.316 -10.609 93 HD2 ARG 14 HD2 ARG 14 16.677 4.565 -8.863 94 HD3 ARG 14 HD1 ARG 14 14.984 4.474 -8.422 95 HE ARG 14 HE ARG 14 15.551 3.069 -6.602 96 HH11 ARG 14 HH11 ARG 14 18.276 3.568 -8.708 97 HH12 ARG 14 HH12 ARG 14 19.394 2.902 -7.564 98 HH21 ARG 14 HH21 ARG 14 16.960 2.204 -5.192 99 HH22 ARG 14 HH22 ARG 14 18.649 2.163 -5.550 100 H GLU 15 HN GLU 15 14.413 -1.087 -8.796 101 HA GLU 15 HA GLU 15 11.629 -1.707 -8.700 102 HB2 GLU 15 HB2 GLU 15 12.476 -3.891 -9.596 103 HB3 GLU 15 HB1 GLU 15 12.925 -2.545 -10.600 104 HG2 GLU 15 HG2 GLU 15 15.161 -2.623 -9.723 105 HG3 GLU 15 HG1 GLU 15 14.756 -3.836 -8.508 106 H CYS 16 HN CYS 16 13.274 -1.039 -6.336 107 HA CYS 16 HA CYS 16 12.651 -3.329 -4.567 108 HB2 CYS 16 HB2 CYS 16 15.256 -1.885 -4.693 109 HB3 CYS 16 HB1 CYS 16 14.796 -2.851 -3.349 110 H ARG 17 HN ARG 17 13.581 0.127 -4.606 111 HA ARG 17 HA ARG 17 12.979 0.675 -1.904 112 HB2 ARG 17 HB2 ARG 17 12.320 2.684 -4.105 113 HB3 ARG 17 HB1 ARG 17 12.672 2.984 -2.416 114 HG2 ARG 17 HG2 ARG 17 14.814 1.632 -2.900 115 HG3 ARG 17 HG1 ARG 17 14.396 1.934 -4.556 116 HD2 ARG 17 HD2 ARG 17 14.534 4.283 -4.459 117 HD3 ARG 17 HD1 ARG 17 14.693 4.287 -2.691 118 HE ARG 17 HE ARG 17 16.810 3.759 -4.550 119 HH11 ARG 17 HH11 ARG 17 15.400 2.727 -1.549 120 HH12 ARG 17 HH12 ARG 17 16.857 2.031 -0.946 121 HH21 ARG 17 HH21 ARG 17 18.656 2.888 -3.842 122 HH22 ARG 17 HH22 ARG 17 18.764 2.139 -2.274 123 HA HYP 18 HA HYP 18 8.534 1.845 -2.966 124 HB2 HYP 18 HB2 HYP 18 7.321 0.698 -5.185 125 HB3 HYP 18 HB1 HYP 18 8.133 2.260 -5.185 126 HG HYP 18 HG HYP 18 9.257 -0.438 -6.006 127 HD22 HYP 18 HD11 HYP 18 11.060 1.933 -5.331 128 HD23 HYP 18 HD12 HYP 18 11.445 0.225 -5.331 129 HD1 HYP 18 HD2 HYP 18 9.759 2.109 -7.096 130 H GLN 19 HN GLN 19 9.928 -0.960 -2.416 131 HA GLN 19 HA GLN 19 7.719 -2.777 -2.246 132 HB2 GLN 19 HB2 GLN 19 10.600 -2.851 -1.415 133 HB3 GLN 19 HB1 GLN 19 9.496 -4.126 -1.015 134 HG2 GLN 19 HG2 GLN 19 10.887 -4.315 -3.229 135 HG3 GLN 19 HG1 GLN 19 9.246 -4.910 -3.211 136 HE21 GLN 19 HE21 GLN 19 11.206 -3.745 -5.317 137 HE22 GLN 19 HE22 GLN 19 10.242 -2.653 -6.177 138 H HIS 20 HN HIS 20 6.719 -3.608 -0.644 139 HA HIS 20 HA HIS 20 6.008 -1.940 1.576 140 HB2 HIS 20 HB2 HIS 20 4.681 -3.941 2.312 141 HB3 HIS 20 HB1 HIS 20 4.458 -3.666 0.589 142 HD1 HIS 20 HD1 HIS 20 5.480 -6.260 2.849 143 HD2 HIS 20 HD2 HIS 20 6.333 -5.379 -1.044 144 HE1 HIS 20 HE1 HIS 20 6.429 -8.312 1.860 145 H CYS 21 HN CYS 21 8.372 -4.345 0.992 146 HA CYS 21 HA CYS 21 9.025 -4.664 3.857 147 HB2 CYS 21 HB2 CYS 21 10.612 -6.359 3.061 148 HB3 CYS 21 HB1 CYS 21 9.002 -6.656 2.513 149 H CYS 22 HN CYS 22 9.981 -2.788 1.120 150 HA CYS 22 HA CYS 22 12.566 -2.017 2.414 151 HB2 CYS 22 HB2 CYS 22 12.456 -2.144 -0.252 152 HB3 CYS 22 HB1 CYS 22 11.415 -0.790 -0.161 153 HN1 NH2 23 HN1 NH2 23 9.274 -1.315 2.224 154 HN2 NH2 23 HN2 NH2 23 9.253 0.240 2.837