| blob | ea75ae444539e12c9faf8e171ca777544f78c92a |
1 <?xml version="1.0"?>
2 <!DOCTYPE residues SYSTEM "residues.dtd">
4 <residues>
5 <residue restype="ACE">
6 <ratom name="CA">
7 <ratom name="HA1">
8 <ratom name="HA2">
9 <ratom name="HA3">
10 <ratom name="C">
11 <ratom name="O">
12 <rbond a1="CA" a2="HA1"/>
13 <rbond a1="CA" a2="HA2"/>
14 <rbond a1="CA" a2="HA3"/>
15 <rbond a1="CA" a2="C"/>
16 <rbond a1="C" a2="O"/>
17 <raddh hclass="aliphatic" addgeom="4" addnum="3" addto="CA C O"/>
18 </residue>
20 <residue restype="ALA">
21 <ratom name="N">
22 <ratom name="H">
23 <ratom name="CA">
24 <ratom name="HA">
25 <ratom name="CB">
26 <ratom name="HB1">
27 <ratom name="HB2">
28 <ratom name="HB3">
29 <ratom name="C">
30 <ratom name="O">
31 <rbond a1="N" a2="H"/>
32 <rbond a1="N" a2="CA"/>
33 <rbond a1="CA" a2="HA"/>
34 <rbond a1="CA" a2="CB"/>
35 <rbond a1="CA" a2="C"/>
36 <rbond a1="CB" a2="HB1"/>
37 <rbond a1="CB" a2="HB2"/>
38 <rbond a1="CB" a2="HB3"/>
39 <rbond a1="C" a2="O"/>
40 <rbond a1="-C" a2="N"/>
41 <rimproper a1="N" a2="-C" a3="CA" a4="H"/>
42 <rimproper a1="-C" a2="-CA" a3="N" a4="-O"/>
43 <rimproper a1="CA" a2="N" a3="C" a4="CB"/>
44 <raddh hclass="polar" addgeom="1" addnum="1" addto="N -C CA"/>
45 <raddh hclass="aliphatic" addgeom="5" addnum="1" addto="CA N C CB"/>
46 <raddh hclass="aliphatic" addgeom="4" addnum="3" addto="CB CA N"/>
47 </residue>
49 <residue restype="ARG">
50 <ratom name="N">
51 <ratom name="H">
52 <ratom name="CA">
53 <ratom name="HA">
54 <ratom name="CB">
55 <ratom name="HB1">
56 <ratom name="HB2">
57 <ratom name="CG">
58 <ratom name="HG1">
59 <ratom name="HG2">
60 <ratom name="CD">
61 <ratom name="HD1">
62 <ratom name="HD2">
63 <ratom name="NE">
64 <ratom name="HE">
65 <ratom name="CZ">
66 <ratom name="NH1">
67 <ratom name="HH11">
68 <ratom name="HH12">
69 <ratom name="NH2">
70 <ratom name="HH21">
71 <ratom name="HH22">
72 <ratom name="C">
73 <ratom name="O">
74 <rbond a1="N" a2="H"/>
75 <rbond a1="N" a2="CA"/>
76 <rbond a1="CA" a2="HA"/>
77 <rbond a1="CA" a2="CB"/>
78 <rbond a1="CA" a2="C"/>
79 <rbond a1="CB" a2="HB1"/>
80 <rbond a1="CB" a2="HB2"/>
81 <rbond a1="CB" a2="CG"/>
82 <rbond a1="CG" a2="HG1"/>
83 <rbond a1="CG" a2="HG2"/>
84 <rbond a1="CG" a2="CD"/>
85 <rbond a1="CD" a2="HD1"/>
86 <rbond a1="CD" a2="HD2"/>
87 <rbond a1="CD" a2="NE"/>
88 <rbond a1="NE" a2="HE"/>
89 <rbond a1="NE" a2="CZ"/>
90 <rbond a1="CZ" a2="NH1"/>
91 <rbond a1="CZ" a2="NH2"/>
92 <rbond a1="NH1" a2="HH11"/>
93 <rbond a1="NH1" a2="HH12"/>
94 <rbond a1="NH2" a2="HH21"/>
95 <rbond a1="NH2" a2="HH22"/>
96 <rbond a1="C" a2="O"/>
97 <rbond a1="-C" a2="N"/>
98 <rimproper a1="N" a2="-C" a3="CA" a4="H"/>
99 <rimproper a1="-C" a2="-CA" a3="N" a4="-O"/>
100 <rimproper a1="CA" a2="N" a3="C" a4="CB"/>
101 <rimproper a1="NE" a2="CD" a3="CZ" a4="HE"/>
102 <rimproper a1="CZ" a2="NH1" a3="NH2" a4="NE"/>
103 <rimproper a1="NH1" a2="HH11" a3="HH12" a4="CZ"/>
104 <rimproper a1="NH2" a2="HH21" a3="HH22" a4="CZ"/>
105 <raddh hclass="polar" addgeom="1" addnum="1" addto="N -C CA"/>
106 <raddh hclass="aliphatic" addgeom="5" addnum="1" addto="CA N C CB"/>
107 <raddh hclass="aliphatic" addgeom="6" addnum="2" addto="CB CG CA"/>
108 <raddh hclass="aliphatic" addgeom="6" addnum="2" addto="CG CD CB"/>
109 <raddh hclass="aliphatic" addgeom="6" addnum="2" addto="CD NE CG"/>
110 <raddh hclass="polar" addgeom="1" addnum="1" addto="NE CD CZ"/>
111 <raddh hclass="polar" addgeom="3" addnum="2" addto="NH1 CZ NE"/>
112 <raddh hclass="polar" addgeom="3" addnum="2" addto="NH2 CZ NE"/>
113 </residue>
115 <residue restype="ASN">
116 <ratom name="N">
117 <ratom name="H">
118 <ratom name="CA">
119 <ratom name="HA">
120 <ratom name="CB">
121 <ratom name="HB1">
122 <ratom name="HB2">
123 <ratom name="CG">
124 <ratom name="OD1">
125 <ratom name="ND2">
126 <ratom name="HD21">
127 <ratom name="HD22">
128 <ratom name="C">
129 <ratom name="O">
130 <rbond a1="N" a2="H"/>
131 <rbond a1="N" a2="CA"/>
132 <rbond a1="CA" a2="HA"/>
133 <rbond a1="CA" a2="CB"/>
134 <rbond a1="CA" a2="C"/>
135 <rbond a1="CB" a2="HB1"/>
136 <rbond a1="CB" a2="HB2"/>
137 <rbond a1="CB" a2="CG"/>
138 <rbond a1="CG" a2="OD1"/>
139 <rbond a1="CG" a2="ND2"/>
140 <rbond a1="ND2" a2="HD21"/>
141 <rbond a1="ND2" a2="HD22"/>
142 <rbond a1="C" a2="O"/>
143 <rbond a1="-C" a2="N"/>
144 <rimproper a1="N" a2="-C" a3="CA" a4="H"/>
145 <rimproper a1="-C" a2="-CA" a3="N" a4="-O"/>
146 <rimproper a1="CA" a2="N" a3="C" a4="CB"/>
147 <rimproper a1="CG" a2="OD1" a3="ND2" a4="CB"/>
148 <rimproper a1="ND2" a2="HD21" a3="HD22" a4="CG"/>
149 <raddh hclass="polar" addgeom="1" addnum="1" addto="N -C CA"/>
150 <raddh hclass="aliphatic" addgeom="5" addnum="1" addto="CA N C CB"/>
151 <raddh hclass="aliphatic" addgeom="6" addnum="2" addto="CB CG CA"/>
152 <raddh hclass="polar" addgeom="3" addnum="2" addto="ND2 CG CB"/>
153 </residue>
155 <residue restype="ASP">
156 <ratom name="N">
157 <ratom name="H">
158 <ratom name="CA">
159 <ratom name="HA">
160 <ratom name="CB">
161 <ratom name="HB1">
162 <ratom name="HB2">
163 <ratom name="CG">
164 <ratom name="OD1">
165 <ratom name="OD2">
166 <ratom name="C">
167 <ratom name="O">
168 <rbond a1="N" a2="H"/>
169 <rbond a1="N" a2="CA"/>
170 <rbond a1="CA" a2="HA"/>
171 <rbond a1="CA" a2="CB"/>
172 <rbond a1="CA" a2="C"/>
173 <rbond a1="CB" a2="HB1"/>
174 <rbond a1="CB" a2="HB2"/>
175 <rbond a1="CB" a2="CG"/>
176 <rbond a1="CG" a2="OD1"/>
177 <rbond a1="CG" a2="OD2"/>
178 <rbond a1="C" a2="O"/>
179 <rbond a1="-C" a2="N"/>
180 <rimproper a1="N" a2="-C" a3="CA" a4="H"/>
181 <rimproper a1="-C" a2="-CA" a3="N" a4="-O"/>
182 <rimproper a1="CA" a2="N" a3="C" a4="CB"/>
183 <rimproper a1="CG" a2="OD1" a3="OD2" a4="CB"/>
184 <raddh hclass="polar" addgeom="1" addnum="1" addto="N -C CA"/>
185 <raddh hclass="aliphatic" addgeom="5" addnum="1" addto="CA N C CB"/>
186 <raddh hclass="aliphatic" addgeom="6" addnum="2" addto="CB CG CA"/>
187 </residue>
189 <residue restype="ASPH">
190 <ratom name="N">
191 <ratom name="H">
192 <ratom name="CA">
193 <ratom name="HA">
194 <ratom name="CB">
195 <ratom name="HB1">
196 <ratom name="HB2">
197 <ratom name="CG">
198 <ratom name="OD1">
199 <ratom name="OD2">
200 <ratom name="HD2">
201 <ratom name="C">
202 <ratom name="O">
203 <rbond a1="N" a2="H"/>
204 <rbond a1="N" a2="CA"/>
205 <rbond a1="CA" a2="HA"/>
206 <rbond a1="CA" a2="CB"/>
207 <rbond a1="CA" a2="C"/>
208 <rbond a1="CB" a2="HB1"/>
209 <rbond a1="CB" a2="HB2"/>
210 <rbond a1="CB" a2="CG"/>
211 <rbond a1="CG" a2="OD1"/>
212 <rbond a1="CG" a2="OD2"/>
213 <rbond a1="OD2" a2="HD2"/>
214 <rbond a1="C" a2="O"/>
215 <rbond a1="-C" a2="N"/>
216 <rimproper a1="N" a2="-C" a3="CA" a4="H"/>
217 <rimproper a1="-C" a2="-CA" a3="N" a4="-O"/>
218 <rimproper a1="CA" a2="N" a3="C" a4="CB"/>
219 <rimproper a1="CG" a2="OD1" a3="OD2" a4="CB"/>
220 <raddh hclass="polar" addgeom="1" addnum="1" addto="N -C CA"/>
221 <raddh hclass="aliphatic" addgeom="5" addnum="1" addto="CA N C CB"/>
222 <raddh hclass="aliphatic" addgeom="6" addnum="2" addto="CB CG CA"/>
223 <raddh hclass="polar" addgeom="2" addnum="1" addto="OD1 CG CB"/>
224 </residue>
226 <residue restype="CYS2">
227 <ratom name="N">
228 <ratom name="H">
229 <ratom name="CA">
230 <ratom name="HA">
231 <ratom name="CB">
232 <ratom name="HB1">
233 <ratom name="HB2">
234 <ratom name="SG">
235 <ratom name="C">
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237 <rbond a1="N" a2="H"/>
238 <rbond a1="N" a2="CA"/>
239 <rbond a1="CA" a2="HA"/>
240 <rbond a1="CA" a2="CB"/>
241 <rbond a1="CA" a2="C"/>
242 <rbond a1="CB" a2="HB1"/>
243 <rbond a1="CB" a2="HB2"/>
244 <rbond a1="CB" a2="SG"/>
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246 <rbond a1="-C" a2="N"/>
247 <rimproper a1="N" a2="-C" a3="CA" a4="H"/>
248 <rimproper a1="-C" a2="-CA" a3="N" a4="-O"/>
249 <rimproper a1="CA" a2="N" a3="C" a4="CB"/>
250 <raddh hclass="polar" addgeom="1" addnum="1" addto="N -C CA"/>
251 <raddh hclass="aliphatic" addgeom="5" addnum="1" addto="CA N C CB"/>
252 <raddh hclass="aliphatic" addgeom="6" addnum="2" addto="CB SG CA"/>
253 </residue>
255 <residue restype="CYSH">
256 <ratom name="N">
257 <ratom name="H">
258 <ratom name="CA">
259 <ratom name="HA">
260 <ratom name="CB">
261 <ratom name="HB1">
262 <ratom name="HB2">
263 <ratom name="SG">
264 <ratom name="HG">
265 <ratom name="C">
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267 <rbond a1="N" a2="H"/>
268 <rbond a1="N" a2="CA"/>
269 <rbond a1="CA" a2="HA"/>
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271 <rbond a1="CA" a2="C"/>
272 <rbond a1="CB" a2="HB1"/>
273 <rbond a1="CB" a2="HB2"/>
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275 <rbond a1="SG" a2="HG"/>
276 <rbond a1="C" a2="O"/>
277 <rbond a1="-C" a2="N"/>
278 <rimproper a1="N" a2="-C" a3="CA" a4="H"/>
279 <rimproper a1="-C" a2="-CA" a3="N" a4="-O"/>
280 <rimproper a1="CA" a2="N" a3="C" a4="CB"/>
281 <raddh hclass="polar" addgeom="1" addnum="1" addto="N -C CA"/>
282 <raddh hclass="aliphatic" addgeom="5" addnum="1" addto="CA N C CB"/>
283 <raddh hclass="aliphatic" addgeom="6" addnum="2" addto="CB SG CA"/>
284 <raddh hclass="aliphatic" addgeom="2" addnum="1" addto="SG CB CA"/>
285 </residue>
287 <residue restype="GLN">
288 <ratom name="N">
289 <ratom name="H">
290 <ratom name="CA">
291 <ratom name="HA">
292 <ratom name="CB">
293 <ratom name="HB1">
294 <ratom name="HB2">
295 <ratom name="CG">
296 <ratom name="HG1">
297 <ratom name="HG2">
298 <ratom name="CD">
299 <ratom name="OE1">
300 <ratom name="NE2">
301 <ratom name="HE21">
302 <ratom name="HE22">
303 <ratom name="C">
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306 <rbond a1="N" a2="CA"/>
307 <rbond a1="CA" a2="HA"/>
308 <rbond a1="CA" a2="CB"/>
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310 <rbond a1="CB" a2="HB1"/>
311 <rbond a1="CB" a2="HB2"/>
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313 <rbond a1="CG" a2="HG1"/>
314 <rbond a1="CG" a2="HG2"/>
315 <rbond a1="CG" a2="CD"/>
316 <rbond a1="CD" a2="OE1"/>
317 <rbond a1="CD" a2="NE2"/>
318 <rbond a1="NE2" a2="HE21"/>
319 <rbond a1="NE2" a2="HE22"/>
320 <rbond a1="C" a2="O"/>
321 <rbond a1="-C" a2="N"/>
322 <rimproper a1="N" a2="-C" a3="CA" a4="H"/>
323 <rimproper a1="CA" a2="N" a3="C" a4="CB"/>
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325 <rimproper a1="NE2" a2="HE21" a3="HE22" a4="CD"/>
326 <rimproper a1="-C" a2="-CA" a3="N" a4="-O"/>
327 <raddh hclass="polar" addgeom="1" addnum="1" addto="N -C CA"/>
328 <raddh hclass="aliphatic" addgeom="5" addnum="1" addto="CA N C CB"/>
329 <raddh hclass="aliphatic" addgeom="6" addnum="2" addto="CB CG CA"/>
330 <raddh hclass="aliphatic" addgeom="6" addnum="2" addto="CG CD CB"/>
331 <raddh hclass="polar" addgeom="3" addnum="2" addto="NE2 CD CG"/>
332 </residue>
334 <residue restype="GLU">
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336 <ratom name="H">
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338 <ratom name="HA">
339 <ratom name="CB">
340 <ratom name="HB1">
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347 <ratom name="OE2">
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362 <rbond a1="CD" a2="OE2"/>
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365 <rimproper a1="N" a2="-C" a3="CA" a4="H"/>
366 <rimproper a1="CA" a2="N" a3="C" a4="CB"/>
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368 <rimproper a1="-C" a2="-CA" a3="N" a4="-O"/>
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370 <raddh hclass="aliphatic" addgeom="5" addnum="1" addto="CA N C CB"/>
371 <raddh hclass="aliphatic" addgeom="6" addnum="2" addto="CB CG CA"/>
372 <raddh hclass="aliphatic" addgeom="6" addnum="2" addto="CG CD CB"/>
373 </residue>
375 <residue restype="GLUH">
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378 <ratom name="CA">
379 <ratom name="HA">
380 <ratom name="CB">
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382 <ratom name="HB2">
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384 <ratom name="HG1">
385 <ratom name="HG2">
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387 <ratom name="OE1">
388 <ratom name="OE2">
389 <ratom name="HE2">
390 <ratom name="C">
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396 <rbond a1="CB" a2="C"/>
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398 <rbond a1="CB" a2="HB2"/>
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401 <rbond a1="CG" a2="HG2"/>
402 <rbond a1="CG" a2="CD"/>
403 <rbond a1="CD" a2="OE1"/>
404 <rbond a1="CD" a2="OE2"/>
405 <rbond a1="OE2" a2="HE2"/>
406 <rbond a1="C" a2="O"/>
407 <rbond a1="-C" a2="N"/>
408 <rimproper a1="N" a2="-C" a3="CA" a4="H"/>
409 <rimproper a1="CA" a2="N" a3="C" a4="CB"/>
410 <rimproper a1="CD" a2="OE1" a3="OE2" a4="CG"/>
411 <rimproper a1="-C" a2="-CA" a3="N" a4="-O"/>
412 <raddh hclass="polar" addgeom="1" addnum="1" addto="N -C CA"/>
413 <raddh hclass="aliphatic" addgeom="5" addnum="1" addto="CA N C CB"/>
414 <raddh hclass="aliphatic" addgeom="6" addnum="2" addto="CB CG CA"/>
415 <raddh hclass="aliphatic" addgeom="6" addnum="2" addto="CG CD CB"/>
416 <raddh hclass="polar" addgeom="2" addnum="1" addto="OE2 CD CG"/>
417 </residue>
419 <residue restype="GLY">
420 <ratom name="N">
421 <ratom name="H">
422 <ratom name="CA">
423 <ratom name="HA1">
424 <ratom name="HA2">
425 <ratom name="C">
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427 <rbond a1="N" a2="H"/>
428 <rbond a1="N" a2="CA"/>
429 <rbond a1="CA" a2="HA1"/>
430 <rbond a1="CA" a2="HA2"/>
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432 <rbond a1="C" a2="O"/>
433 <rbond a1="-C" a2="N"/>
434 <rimproper a1="N" a2="-C" a3="CA" a4="H"/>
435 <rimproper a1="-C" a2="-CA" a3="N" a4="-O"/>
436 <raddh hclass="polar" addgeom="1" addnum="1" addto="N -C CA"/>
437 <raddh hclass="aliphatic" addgeom="6" addnum="2" addto="CA C N"/>
438 </residue>
440 <residue restype="HEME">
441 <ratom name="FE">
442 <ratom name="NA">
443 <ratom name="NB">
444 <ratom name="NC">
445 <ratom name="ND">
446 <ratom name="CHA">
447 <ratom name="HHA">
448 <ratom name="C1A">
449 <ratom name="C2A">
450 <ratom name="C3A">
451 <ratom name="C4A">
452 <ratom name="CMA">
453 <ratom name="HMA1">
454 <ratom name="HMA2">
455 <ratom name="HMA3">
456 <ratom name="CAA">
457 <ratom name="HAA1">
458 <ratom name="HAA2">
459 <ratom name="CBA">
460 <ratom name="HBA1">
461 <ratom name="HBA2">
462 <ratom name="CGA">
463 <ratom name="O1A">
464 <ratom name="O2A">
465 <ratom name="H2A">
466 <ratom name="CHB">
467 <ratom name="HHB">
468 <ratom name="C1B">
469 <ratom name="C2B">
470 <ratom name="H2B">
471 <ratom name="C3B">
472 <ratom name="C4B">
473 <ratom name="CMB">
474 <ratom name="HMB1">
475 <ratom name="HMB2">
476 <ratom name="HMB3">
477 <ratom name="CAB">
478 <ratom name="HAB1">
479 <ratom name="HAB2">
480 <ratom name="CBB">
481 <ratom name="HBB1">
482 <ratom name="HBB2">
483 <ratom name="HBB3">
484 <ratom name="CHC">
485 <ratom name="HHC">
486 <ratom name="C1C">
487 <ratom name="C2C">
488 <ratom name="H2C">
489 <ratom name="C3C">
490 <ratom name="C4C">
491 <ratom name="CMC">
492 <ratom name="HMC1">
493 <ratom name="HMC2">
494 <ratom name="HMC3">
495 <ratom name="CAC">
496 <ratom name="HAC1">
497 <ratom name="HAC2">
498 <ratom name="CBC">
499 <ratom name="HBC1">
500 <ratom name="HBC2">
501 <ratom name="HBC3">
502 <ratom name="CHD">
503 <ratom name="HHD">
504 <ratom name="C1D">
505 <ratom name="C2D">
506 <ratom name="C3D">
507 <ratom name="C4D">
508 <ratom name="CMD">
509 <ratom name="HMD1">
510 <ratom name="HMD2">
511 <ratom name="HMD3">
512 <ratom name="CAD">
513 <ratom name="HAD1">
514 <ratom name="HAD2">
515 <ratom name="CBD">
516 <ratom name="HBD1">
517 <ratom name="HBD2">
518 <ratom name="CGD">
519 <ratom name="O1D">
520 <ratom name="O2D">
521 <ratom name="H2D">
522 <rbond a1="FE" a2="NA"/>
523 <rbond a1="FE" a2="NB"/>
524 <rbond a1="FE" a2="NC"/>
525 <rbond a1="FE" a2="ND"/>
526 <rbond a1="NA" a2="C1A"/>
527 <rbond a1="C1A" a2="C2A"/>
528 <rbond a1="C2A" a2="C3A"/>
529 <rbond a1="C3A" a2="C4A"/>
530 <rbond a1="NA" a2="C4A"/>
531 <rbond a1="C2A" a2="CAA"/>
532 <rbond a1="CAA" a2="CBA"/>
533 <rbond a1="CBA" a2="CGA"/>
534 <rbond a1="CGA" a2="O1A"/>
535 <rbond a1="CGA" a2="O2A"/>
536 <rbond a1="C3A" a2="CMA"/>
537 <rbond a1="CMA" a2="HMA1"/>
538 <rbond a1="CMA" a2="HMA2"/>
539 <rbond a1="CMA" a2="HMA3"/>
540 <rbond a1="C4A" a2="CHB"/>
541 <rbond a1="CHB" a2="C1B"/>
542 <rbond a1="NB" a2="C1B"/>
543 <rbond a1="C1B" a2="C2B"/>
544 <rbond a1="C2B" a2="C3B"/>
545 <rbond a1="C3B" a2="C4B"/>
546 <rbond a1="NB" a2="C4B"/>
547 <rbond a1="C2B" a2="CMB"/>
548 <rbond a1="CMB" a2="HMB1"/>
549 <rbond a1="CMB" a2="HMB2"/>
550 <rbond a1="CMB" a2="HMB3"/>
551 <rbond a1="C3B" a2="CAB"/>
552 <rbond a1="CAB" a2="CBB"/>
553 <rbond a1="C4B" a2="CHC"/>
554 <rbond a1="CHC" a2="C1C"/>
555 <rbond a1="NC" a2="C1C"/>
556 <rbond a1="C1C" a2="C2C"/>
557 <rbond a1="C2C" a2="C3C"/>
558 <rbond a1="C3C" a2="C4C"/>
559 <rbond a1="NC" a2="C4C"/>
560 <rbond a1="C2C" a2="CMC"/>
561 <rbond a1="CMC" a2="HMC1"/>
562 <rbond a1="CMC" a2="HMC2"/>
563 <rbond a1="CMC" a2="HMC3"/>
564 <rbond a1="C3C" a2="CAC"/>
565 <rbond a1="CAC" a2="CBC"/>
566 <rbond a1="C4C" a2="CHD"/>
567 <rbond a1="CHD" a2="C1D"/>
568 <rbond a1="ND" a2="C1D"/>
569 <rbond a1="C1D" a2="C2D"/>
570 <rbond a1="C2D" a2="C3D"/>
571 <rbond a1="C3D" a2="C4D"/>
572 <rbond a1="ND" a2="C4D"/>
573 <rbond a1="C2D" a2="CMD"/>
574 <rbond a1="CMD" a2="HMD1"/>
575 <rbond a1="CMD" a2="HMD2"/>
576 <rbond a1="CMD" a2="HMD3"/>
577 <rbond a1="C3D" a2="CAD"/>
578 <rbond a1="CAD" a2="CBD"/>
579 <rbond a1="CBD" a2="CGD"/>
580 <rbond a1="CGD" a2="O1D"/>
581 <rbond a1="CGD" a2="O2D"/>
582 <rbond a1="CHA" a2="C4D"/>
583 <rbond a1="CHA" a2="C1A"/>
584 <rangle a1="NA" a2="FE" a3="NC"/>
585 <rangle a1="NB" a2="FE" a3="ND"/>
586 <rdihedral a1="ND" a2="FE" a3="NA" a4="C1A"/>
587 <rdihedral a1="NA" a2="FE" a3="NB" a4="C1B"/>
588 <rdihedral a1="NB" a2="FE" a3="NC" a4="C1C"/>
589 <rdihedral a1="NC" a2="FE" a3="ND" a4="C1D"/>
590 <rdihedral a1="FE" a2="NA" a3="C1A" a4="CHA"/>
591 <rdihedral a1="FE" a2="NA" a3="C4A" a4="C3A"/>
592 <rdihedral a1="FE" a2="NB" a3="C1B" a4="CHB"/>
593 <rdihedral a1="FE" a2="NB" a3="C4B" a4="C3B"/>
594 <rdihedral a1="FE" a2="NC" a3="C1C" a4="CHC"/>
595 <rdihedral a1="FE" a2="NC" a3="C4C" a4="C3C"/>
596 <rdihedral a1="FE" a2="ND" a3="C1D" a4="CHD"/>
597 <rdihedral a1="FE" a2="ND" a3="C4D" a4="CHA"/>
598 <rdihedral a1="NA" a2="C1A" a3="C2A" a4="C3A"/>
599 <rdihedral a1="C1A" a2="C2A" a3="C3A" a4="C4A"/>
600 <rdihedral a1="C2A" a2="C3A" a3="C4A" a4="NA"/>
601 <rdihedral a1="NB" a2="C1B" a3="C2B" a4="C3B"/>
602 <rdihedral a1="C1B" a2="C2B" a3="C3B" a4="C4B"/>
603 <rdihedral a1="C2B" a2="C3B" a3="C4B" a4="NB"/>
604 <rdihedral a1="NC" a2="C1C" a3="C2C" a4="C3C"/>
605 <rdihedral a1="C1C" a2="C2C" a3="C3C" a4="C4C"/>
606 <rdihedral a1="C2C" a2="C3C" a3="C4C" a4="NC"/>
607 <rdihedral a1="ND" a2="C1D" a3="C2D" a4="C3D"/>
608 <rdihedral a1="C1D" a2="C2D" a3="C3D" a4="C4D"/>
609 <rdihedral a1="C2D" a2="C3D" a3="C4D" a4="ND"/>
610 <rimproper a1="FE" a2="C1A" a3="C4A" a4="NA"/>
611 <rimproper a1="FE" a2="C1B" a3="C4B" a4="NB"/>
612 <rimproper a1="FE" a2="C1C" a3="C4C" a4="NC"/>
613 <rimproper a1="FE" a2="C1D" a3="C4D" a4="ND"/>
614 <rimproper a1="CHA" a2="NA" a3="C2A" a4="C1A"/>
615 <rimproper a1="CHB" a2="NA" a3="C3A" a4="C4A"/>
616 <rimproper a1="CHB" a2="NB" a3="C2B" a4="C1B"/>
617 <rimproper a1="CHC" a2="NB" a3="C3B" a4="C4B"/>
618 <rimproper a1="CHC" a2="NC" a3="C2C" a4="C1C"/>
619 <rimproper a1="CHD" a2="NC" a3="C3C" a4="C4C"/>
620 <rimproper a1="CHD" a2="ND" a3="C2D" a4="C1D"/>
621 <rimproper a1="CHA" a2="ND" a3="C3D" a4="C4D"/>
622 <rimproper a1="C2A" a2="C1A" a3="C3A" a4="CAA"/>
623 <rimproper a1="C3A" a2="C2A" a3="C4A" a4="CMA"/>
624 <rimproper a1="C2B" a2="C1B" a3="C3B" a4="CMB"/>
625 <rimproper a1="C3B" a2="C2B" a3="C4B" a4="CAB"/>
626 <rimproper a1="C2C" a2="C1C" a3="C3C" a4="CMC"/>
627 <rimproper a1="C3C" a2="C2C" a3="C4C" a4="CAC"/>
628 <rimproper a1="C2D" a2="C1D" a3="C3D" a4="CMD"/>
629 <rimproper a1="C3D" a2="C2D" a3="C4D" a4="CAD"/>
630 <rimproper a1="CBA" a2="O1A" a3="O2A" a4="CGA"/>
631 <rimproper a1="CBD" a2="O1D" a3="O2D" a4="CGD"/>
632 <raddh hclass="aliphatic" addgeom="4" addnum="3" addto="CMA C3A C4A"/>
633 <raddh hclass="aliphatic" addgeom="4" addnum="3" addto="CMB C2B C3B"/>
634 <raddh hclass="aliphatic" addgeom="4" addnum="3" addto="CMC C2C C3C"/>
635 <raddh hclass="aliphatic" addgeom="4" addnum="3" addto="CMD C2D C1D"/>
636 <raddh hclass="aliphatic" addgeom="4" addnum="3" addto="CBC CAC C3C"/>
637 <raddh hclass="aliphatic" addgeom="6" addnum="2" addto="CAC C3C CBC"/>
638 <raddh hclass="aliphatic" addgeom="6" addnum="2" addto="CAB CBB C3B"/>
639 <raddh hclass="aliphatic" addgeom="4" addnum="3" addto="CBB CAB C3B"/>
640 <raddh hclass="aliphatic" addgeom="1" addnum="1" addto="CHC C4B C1C"/>
641 <raddh hclass="aliphatic" addgeom="1" addnum="1" addto="CHD C4C C1D"/>
642 <raddh hclass="aliphatic" addgeom="1" addnum="1" addto="CHB C4A C1B"/>
643 <raddh hclass="aliphatic" addgeom="1" addnum="1" addto="CHA C4D C1A"/>
644 <raddh hclass="aliphatic" addgeom="6" addnum="2" addto="CBA CAA CGA"/>
645 <raddh hclass="aliphatic" addgeom="6" addnum="2" addto="CAA CBA C2A"/>
646 <raddh hclass="aliphatic" addgeom="6" addnum="2" addto="CBD CAD CGD"/>
647 <raddh hclass="aliphatic" addgeom="6" addnum="2" addto="CAD CBD C2D"/>
648 <raddh hclass="polar" addgeom="4" addnum="1" addto="O2A CGA CBA"/>
649 <raddh hclass="polar" addgeom="4" addnum="1" addto="O2D CGD CBD"/>
650 </residue>
652 <residue restype="HIS1">
653 <ratom name="N">
654 <ratom name="H">
655 <ratom name="CA">
656 <ratom name="HA">
657 <ratom name="CB">
658 <ratom name="HB1">
659 <ratom name="HB2">
660 <ratom name="CG">
661 <ratom name="ND1">
662 <ratom name="HD1">
663 <ratom name="CD2">
664 <ratom name="HD2">
665 <ratom name="CE1">
666 <ratom name="HE1">
667 <ratom name="NE2">
668 <ratom name="C">
669 <ratom name="O">
670 <rbond a1="N" a2="H"/>
671 <rbond a1="N" a2="CA"/>
672 <rbond a1="CA" a2="HA"/>
673 <rbond a1="CA" a2="CB"/>
674 <rbond a1="CA" a2="C"/>
675 <rbond a1="CB" a2="HB1"/>
676 <rbond a1="CB" a2="HB2"/>
677 <rbond a1="CB" a2="CG"/>
678 <rbond a1="CG" a2="ND1"/>
679 <rbond a1="CG" a2="CD2"/>
680 <rbond a1="ND1" a2="HD1"/>
681 <rbond a1="ND1" a2="CE1"/>
682 <rbond a1="CD2" a2="HD2"/>
683 <rbond a1="CD2" a2="NE2"/>
684 <rbond a1="CE1" a2="HE1"/>
685 <rbond a1="CE1" a2="NE2"/>
686 <rbond a1="C" a2="O"/>
687 <rbond a1="-C" a2="N"/>
688 <rimproper a1="N" a2="-C" a3="CA" a4="H"/>
689 <rimproper a1="CA" a2="N" a3="C" a4="CB"/>
690 <rimproper a1="CG" a2="ND1" a3="CD2" a4="CB"/>
691 <rimproper a1="CD2" a2="CG" a3="ND1" a4="CE1"/>
692 <rimproper a1="ND1" a2="CG" a3="CD2" a4="NE2"/>
693 <rimproper a1="CG" a2="ND1" a3="CE1" a4="NE2"/>
694 <rimproper a1="CG" a2="CD2" a3="NE2" a4="CE1"/>
695 <rimproper a1="CD2" a2="NE2" a3="CE1" a4="ND1"/>
696 <rimproper a1="ND1" a2="CG" a3="CE1" a4="HD1"/>
697 <rimproper a1="CE1" a2="ND1" a3="NE2" a4="HE1"/>
698 <rimproper a1="CD2" a2="CG" a3="NE2" a4="HD2"/>
699 <rimproper a1="-C" a2="-CA" a3="N" a4="-O"/>
700 <raddh hclass="polar" addgeom="1" addnum="1" addto="N -C CA"/>
701 <raddh hclass="aliphatic" addgeom="5" addnum="1" addto="CA N C CB"/>
702 <raddh hclass="aliphatic" addgeom="6" addnum="2" addto="CB CG CA"/>
703 <raddh hclass="aliphatic" addgeom="1" addnum="1" addto="CD2 CG NE2"/>
704 <raddh hclass="aliphatic" addgeom="1" addnum="1" addto="CE1 ND1 NE2"/>
705 <raddh hclass="polar" addgeom="1" addnum="1" addto="ND1 CG CE1"/>
706 </residue>
708 <residue restype="HISA">
709 <ratom name="N">
710 <ratom name="H">
711 <ratom name="CA">
712 <ratom name="HA">
713 <ratom name="CB">
714 <ratom name="HB1">
715 <ratom name="HB2">
716 <ratom name="CG">
717 <ratom name="ND1">
718 <ratom name="HD1">
719 <ratom name="CD2">
720 <ratom name="HD2">
721 <ratom name="CE1">
722 <ratom name="HE1">
723 <ratom name="NE2">
724 <ratom name="C">
725 <ratom name="O">
726 <rbond a1="N" a2="H"/>
727 <rbond a1="N" a2="CA"/>
728 <rbond a1="CA" a2="HA"/>
729 <rbond a1="CA" a2="CB"/>
730 <rbond a1="CA" a2="C"/>
731 <rbond a1="CB" a2="HB1"/>
732 <rbond a1="CB" a2="HB2"/>
733 <rbond a1="CB" a2="CG"/>
734 <rbond a1="CG" a2="ND1"/>
735 <rbond a1="CG" a2="CD2"/>
736 <rbond a1="ND1" a2="HD1"/>
737 <rbond a1="ND1" a2="CE1"/>
738 <rbond a1="CD2" a2="HD2"/>
739 <rbond a1="CD2" a2="NE2"/>
740 <rbond a1="CE1" a2="HE1"/>
741 <rbond a1="CE1" a2="NE2"/>
742 <rbond a1="C" a2="O"/>
743 <rbond a1="-C" a2="N"/>
744 <rimproper a1="N" a2="-C" a3="CA" a4="H"/>
745 <rimproper a1="CA" a2="N" a3="C" a4="CB"/>
746 <rimproper a1="CG" a2="ND1" a3="CD2" a4="CB"/>
747 <rimproper a1="CD2" a2="CG" a3="ND1" a4="CE1"/>
748 <rimproper a1="ND1" a2="CG" a3="CD2" a4="NE2"/>
749 <rimproper a1="CG" a2="ND1" a3="CE1" a4="NE2"/>
750 <rimproper a1="CG" a2="CD2" a3="NE2" a4="CE1"/>
751 <rimproper a1="CD2" a2="NE2" a3="CE1" a4="ND1"/>
752 <rimproper a1="ND1" a2="CG" a3="CE1" a4="HD1"/>
753 <rimproper a1="CD2" a2="CG" a3="NE2" a4="HD2"/>
754 <rimproper a1="CE1" a2="ND1" a3="NE2" a4="HE1"/>
755 <rimproper a1="-C" a2="-CA" a3="N" a4="-O"/>
756 <raddh hclass="polar" addgeom="1" addnum="1" addto="N -C CA"/>
757 <raddh hclass="aliphatic" addgeom="5" addnum="1" addto="CA N C CB"/>
758 <raddh hclass="aliphatic" addgeom="6" addnum="2" addto="CB CG CA"/>
759 <raddh hclass="polar" addgeom="1" addnum="1" addto="ND1 CG CE1"/>
760 <raddh hclass="aliphatic" addgeom="1" addnum="1" addto="CD2 CG NE2"/>
761 <raddh hclass="aliphatic" addgeom="1" addnum="1" addto="CE1 ND1 NE2"/>
762 </residue>
764 <residue restype="HISB">
765 <ratom name="N">
766 <ratom name="H">
767 <ratom name="CA">
768 <ratom name="HA">
769 <ratom name="CB">
770 <ratom name="HB1">
771 <ratom name="HB2">
772 <ratom name="CG">
773 <ratom name="ND1">
774 <ratom name="CD2">
775 <ratom name="HD2">
776 <ratom name="CE1">
777 <ratom name="HE1">
778 <ratom name="NE2">
779 <ratom name="HE2">
780 <ratom name="C">
781 <ratom name="O">
782 <rbond a1="N" a2="H"/>
783 <rbond a1="N" a2="CA"/>
784 <rbond a1="CA" a2="HA"/>
785 <rbond a1="CA" a2="CB"/>
786 <rbond a1="CA" a2="C"/>
787 <rbond a1="CB" a2="HB1"/>
788 <rbond a1="CB" a2="HB2"/>
789 <rbond a1="CB" a2="CG"/>
790 <rbond a1="CG" a2="ND1"/>
791 <rbond a1="CG" a2="CD2"/>
792 <rbond a1="ND1" a2="CE1"/>
793 <rbond a1="CD2" a2="HD2"/>
794 <rbond a1="CD2" a2="NE2"/>
795 <rbond a1="CE1" a2="HE1"/>
796 <rbond a1="CE1" a2="NE2"/>
797 <rbond a1="NE2" a2="HE2"/>
798 <rbond a1="C" a2="O"/>
799 <rbond a1="-C" a2="N"/>
800 <rimproper a1="N" a2="-C" a3="CA" a4="H"/>
801 <rimproper a1="CA" a2="N" a3="C" a4="CB"/>
802 <rimproper a1="CG" a2="ND1" a3="CD2" a4="CB"/>
803 <rimproper a1="CD2" a2="CG" a3="ND1" a4="CE1"/>
804 <rimproper a1="ND1" a2="CG" a3="CD2" a4="NE2"/>
805 <rimproper a1="CG" a2="ND1" a3="CE1" a4="NE2"/>
806 <rimproper a1="CG" a2="CD2" a3="NE2" a4="CE1"/>
807 <rimproper a1="CD2" a2="NE2" a3="CE1" a4="ND1"/>
808 <rimproper a1="CE1" a2="ND1" a3="NE2" a4="HE1"/>
809 <rimproper a1="NE2" a2="CD2" a3="CE1" a4="HE2"/>
810 <rimproper a1="CD2" a2="CG" a3="NE2" a4="HD2"/>
811 <rimproper a1="-C" a2="-CA" a3="N" a4="-O"/>
812 <raddh hclass="polar" addgeom="1" addnum="1" addto="N -C CA"/>
813 <raddh hclass="aliphatic" addgeom="6" addnum="2" addto="CB CG CA"/>
814 <raddh hclass="aliphatic" addgeom="5" addnum="1" addto="CA N C CB"/>
815 <raddh hclass="polar" addgeom="1" addnum="1" addto="NE2 CE1 CD2"/>
816 <raddh hclass="aliphatic" addgeom="1" addnum="1" addto="CD2 CG NE2"/>
817 <raddh hclass="aliphatic" addgeom="1" addnum="1" addto="CE1 ND1 NE2"/>
818 </residue>
820 <residue restype="HISH">
821 <ratom name="N">
822 <ratom name="H">
823 <ratom name="CA">
824 <ratom name="HA">
825 <ratom name="CB">
826 <ratom name="HB1">
827 <ratom name="HB2">
828 <ratom name="CG">
829 <ratom name="ND1">
830 <ratom name="HD1">
831 <ratom name="CD2">
832 <ratom name="HD2">
833 <ratom name="CE1">
834 <ratom name="HE1">
835 <ratom name="NE2">
836 <ratom name="HE2">
837 <ratom name="C">
838 <ratom name="O">
839 <rbond a1="N" a2="H"/>
840 <rbond a1="N" a2="CA"/>
841 <rbond a1="CA" a2="HA"/>
842 <rbond a1="CA" a2="CB"/>
843 <rbond a1="CA" a2="C"/>
844 <rbond a1="CB" a2="HB1"/>
845 <rbond a1="CB" a2="HB2"/>
846 <rbond a1="CB" a2="CG"/>
847 <rbond a1="CG" a2="ND1"/>
848 <rbond a1="CG" a2="CD2"/>
849 <rbond a1="ND1" a2="HD1"/>
850 <rbond a1="ND1" a2="CE1"/>
851 <rbond a1="CD2" a2="HD2"/>
852 <rbond a1="CD2" a2="NE2"/>
853 <rbond a1="CE1" a2="HE1"/>
854 <rbond a1="CE1" a2="NE2"/>
855 <rbond a1="NE2" a2="HE2"/>
856 <rbond a1="C" a2="O"/>
857 <rbond a1="-C" a2="N"/>
858 <rimproper a1="N" a2="-C" a3="CA" a4="H"/>
859 <rimproper a1="CA" a2="N" a3="C" a4="CB"/>
860 <rimproper a1="CG" a2="ND1" a3="CD2" a4="CB"/>
861 <rimproper a1="CD2" a2="CG" a3="ND1" a4="CE1"/>
862 <rimproper a1="ND1" a2="CG" a3="CD2" a4="NE2"/>
863 <rimproper a1="CG" a2="ND1" a3="CE1" a4="NE2"/>
864 <rimproper a1="CG" a2="CD2" a3="NE2" a4="CE1"/>
865 <rimproper a1="CD2" a2="NE2" a3="CE1" a4="ND1"/>
866 <rimproper a1="ND1" a2="CG" a3="CE1" a4="HD1"/>
867 <rimproper a1="CE1" a2="ND1" a3="NE2" a4="HE1"/>
868 <rimproper a1="NE2" a2="CE1" a3="CD2" a4="HE2"/>
869 <rimproper a1="CD2" a2="CG" a3="NE2" a4="HD2"/>
870 <rimproper a1="-C" a2="-CA" a3="N" a4="-O"/>
871 <raddh hclass="polar" addgeom="1" addnum="1" addto="N -C CA"/>
872 <raddh hclass="aliphatic" addgeom="5" addnum="1" addto="CA N C CB"/>
873 <raddh hclass="aliphatic" addgeom="6" addnum="2" addto="CB CG CA"/>
874 <raddh hclass="aliphatic" addgeom="1" addnum="1" addto="CD2 CG NE2"/>
875 <raddh hclass="aliphatic" addgeom="1" addnum="1" addto="CE1 ND1 NE2"/>
876 <raddh hclass="polar" addgeom="1" addnum="1" addto="ND1 CG CE1"/>
877 <raddh hclass="polar" addgeom="1" addnum="1" addto="NE2 CE1 CD2"/>
878 </residue>
880 <residue restype="HOH">
881 <ratom name="OW">
882 <ratom name="HW1">
883 <ratom name="HW2">
884 <rbond a1="OW" a2="HW1"/>
885 <rbond a1="OW" a2="HW2"/>
886 <raddh hclass="polar" addgeom="7" addnum="2" addto="OW (null) (null)"/>
887 </residue>
889 <residue restype="HYP">
890 <ratom name="N">
891 <ratom name="CA">
892 <ratom name="HA">
893 <ratom name="CB">
894 <ratom name="HB1">
895 <ratom name="HB2">
896 <ratom name="CG">
897 <ratom name="HG">
898 <ratom name="OD1">
899 <ratom name="HD1">
900 <ratom name="CD2">
901 <ratom name="HD1">
902 <ratom name="HD2">
903 <ratom name="C">
904 <ratom name="O">
905 <rbond a1="N" a2="CA"/>
906 <rbond a1="CA" a2="C"/>
907 <rbond a1="C" a2="O"/>
908 <rbond a1="-C" a2="N"/>
909 <rbond a1="CA" a2="HA"/>
910 <rbond a1="CA" a2="CB"/>
911 <rbond a1="CB" a2="HB1"/>
912 <rbond a1="CB" a2="HB2"/>
913 <rbond a1="CB" a2="CG"/>
914 <rbond a1="CG" a2="HG"/>
915 <rbond a1="CG" a2="OD1"/>
916 <rbond a1="OD1" a2="HD1"/>
917 <rbond a1="CG" a2="CD2"/>
918 <rbond a1="CD2" a2="HD1"/>
919 <rbond a1="CD2" a2="HD2"/>
920 <rbond a1="CD2" a2="N"/>
921 <rimproper a1="N" a2="-C" a3="CA" a4="CD2"/>
922 <rimproper a1="-C" a2="-CA" a3="N" a4="-O"/>
923 <rimproper a1="CA" a2="N" a3="C" a4="CB"/>
924 <rimproper a1="CG" a2="CD2" a3="CB" a4="OD1"/>
925 <raddh hclass="aliphatic" addgeom="5" addnum="1" addto="CA N C CB"/>
926 <raddh hclass="polar" addgeom="2" addnum="1" addto="OD1 CG CB"/>
927 <raddh hclass="aliphatic" addgeom="5" addnum="1" addto="CG CB OD1 CD2"/>
928 </residue>
930 <residue restype="ILE">
931 <ratom name="N">
932 <ratom name="H">
933 <ratom name="CA">
934 <ratom name="HA">
935 <ratom name="CB">
936 <ratom name="HB">
937 <ratom name="CG1">
938 <ratom name="HG11">
939 <ratom name="HG12">
940 <ratom name="CG2">
941 <ratom name="HG21">
942 <ratom name="HG22">
943 <ratom name="HG23">
944 <ratom name="CD">
945 <ratom name="HD1">
946 <ratom name="HD2">
947 <ratom name="HD3">
948 <ratom name="C">
949 <ratom name="O">
950 <rbond a1="N" a2="H"/>
951 <rbond a1="N" a2="CA"/>
952 <rbond a1="CA" a2="HA"/>
953 <rbond a1="CA" a2="CB"/>
954 <rbond a1="CA" a2="C"/>
955 <rbond a1="CB" a2="HB"/>
956 <rbond a1="CB" a2="CG1"/>
957 <rbond a1="CB" a2="CG2"/>
958 <rbond a1="CG1" a2="HG11"/>
959 <rbond a1="CG1" a2="HG12"/>
960 <rbond a1="CG1" a2="CD"/>
961 <rbond a1="CG2" a2="HG21"/>
962 <rbond a1="CG2" a2="HG22"/>
963 <rbond a1="CG2" a2="HG23"/>
964 <rbond a1="CD" a2="HD1"/>
965 <rbond a1="CD" a2="HD2"/>
966 <rbond a1="CD" a2="HD3"/>
967 <rbond a1="C" a2="O"/>
968 <rbond a1="-C" a2="N"/>
969 <rimproper a1="N" a2="-C" a3="CA" a4="H"/>
970 <rimproper a1="-C" a2="-CA" a3="N" a4="-O"/>
971 <rimproper a1="CA" a2="N" a3="C" a4="CB"/>
972 <rimproper a1="CB" a2="CG1" a3="CG2" a4="CA"/>
973 <raddh hclass="polar" addgeom="1" addnum="1" addto="N -C CA"/>
974 <raddh hclass="aliphatic" addgeom="5" addnum="1" addto="CA N C CB"/>
975 <raddh hclass="aliphatic" addgeom="5" addnum="1" addto="CB CA CG1 CG2"/>
976 <raddh hclass="aliphatic" addgeom="6" addnum="2" addto="CG1 CD CB"/>
977 <raddh hclass="aliphatic" addgeom="4" addnum="3" addto="CG2 CB CA"/>
978 <raddh hclass="aliphatic" addgeom="4" addnum="3" addto="CD CG1 CB"/>
979 </residue>
981 <residue restype="LEU">
982 <ratom name="N">
983 <ratom name="H">
984 <ratom name="CA">
985 <ratom name="HA">
986 <ratom name="CB">
987 <ratom name="HB1">
988 <ratom name="HB2">
989 <ratom name="CG">
990 <ratom name="HG">
991 <ratom name="CD1">
992 <ratom name="HD11">
993 <ratom name="HD12">
994 <ratom name="HD13">
995 <ratom name="CD2">
996 <ratom name="HD21">
997 <ratom name="HD22">
998 <ratom name="HD23">
999 <ratom name="C">
1000 <ratom name="O">
1001 <rbond a1="N" a2="H"/>
1002 <rbond a1="N" a2="CA"/>
1003 <rbond a1="CA" a2="HA"/>
1004 <rbond a1="CA" a2="CB"/>
1005 <rbond a1="CA" a2="C"/>
1006 <rbond a1="CB" a2="HB1"/>
1007 <rbond a1="CB" a2="HB2"/>
1008 <rbond a1="CB" a2="CG"/>
1009 <rbond a1="CG" a2="HG"/>
1010 <rbond a1="CG" a2="CD1"/>
1011 <rbond a1="CG" a2="CD2"/>
1012 <rbond a1="CD1" a2="HD11"/>
1013 <rbond a1="CD1" a2="HD12"/>
1014 <rbond a1="CD1" a2="HD13"/>
1015 <rbond a1="CD2" a2="HD21"/>
1016 <rbond a1="CD2" a2="HD22"/>
1017 <rbond a1="CD2" a2="HD23"/>
1018 <rbond a1="C" a2="O"/>
1019 <rbond a1="-C" a2="N"/>
1020 <rimproper a1="N" a2="-C" a3="CA" a4="H"/>
1021 <rimproper a1="-C" a2="-CA" a3="N" a4="-O"/>
1022 <rimproper a1="CA" a2="N" a3="C" a4="CB"/>
1023 <rimproper a1="CG" a2="CD2" a3="CD1" a4="CB"/>
1024 <raddh hclass="polar" addgeom="1" addnum="1" addto="N -C CA"/>
1025 <raddh hclass="aliphatic" addgeom="5" addnum="1" addto="CA N C CB"/>
1026 <raddh hclass="aliphatic" addgeom="6" addnum="2" addto="CB CG CA"/>
1027 <raddh hclass="aliphatic" addgeom="5" addnum="1" addto="CG CB CD1 CD2"/>
1028 <raddh hclass="aliphatic" addgeom="4" addnum="3" addto="CD1 CG CB"/>
1029 <raddh hclass="aliphatic" addgeom="4" addnum="3" addto="CD2 CG CB"/>
1030 </residue>
1032 <residue restype="LYS">
1033 <ratom name="N">
1034 <ratom name="H">
1035 <ratom name="CA">
1036 <ratom name="HA">
1037 <ratom name="CB">
1038 <ratom name="HB1">
1039 <ratom name="HB2">
1040 <ratom name="CG">
1041 <ratom name="HG1">
1042 <ratom name="HG2">
1043 <ratom name="CD">
1044 <ratom name="HD1">
1045 <ratom name="HD2">
1046 <ratom name="CE">
1047 <ratom name="HE1">
1048 <ratom name="HE2">
1049 <ratom name="NZ">
1050 <ratom name="HZ1">
1051 <ratom name="HZ2">
1052 <ratom name="C">
1053 <ratom name="O">
1054 <rbond a1="N" a2="H"/>
1055 <rbond a1="N" a2="CA"/>
1056 <rbond a1="CA" a2="HA"/>
1057 <rbond a1="CA" a2="CB"/>
1058 <rbond a1="CA" a2="C"/>
1059 <rbond a1="CB" a2="HB1"/>
1060 <rbond a1="CB" a2="HB2"/>
1061 <rbond a1="CB" a2="CG"/>
1062 <rbond a1="CG" a2="HG1"/>
1063 <rbond a1="CG" a2="HG2"/>
1064 <rbond a1="CG" a2="CD"/>
1065 <rbond a1="CD" a2="HD1"/>
1066 <rbond a1="CD" a2="HD2"/>
1067 <rbond a1="CD" a2="CE"/>
1068 <rbond a1="CE" a2="HE1"/>
1069 <rbond a1="CE" a2="HE2"/>
1070 <rbond a1="CE" a2="NZ"/>
1071 <rbond a1="NZ" a2="HZ1"/>
1072 <rbond a1="NZ" a2="HZ2"/>
1073 <rbond a1="C" a2="O"/>
1074 <rbond a1="-C" a2="N"/>
1075 <rimproper a1="N" a2="-C" a3="CA" a4="H"/>
1076 <rimproper a1="NZ" a2="CE" a3="HZ2" a4="NZ"/>
1077 <rimproper a1="-C" a2="-CA" a3="N" a4="-O"/>
1078 <rimproper a1="CA" a2="N" a3="C" a4="CB"/>
1079 <rimproper a1="NZ" a2="CE" a3="HZ2" a4="HZ1"/>
1080 <raddh hclass="polar" addgeom="1" addnum="1" addto="N -C CA"/>
1081 <raddh hclass="aliphatic" addgeom="5" addnum="1" addto="CA N C CB"/>
1082 <raddh hclass="aliphatic" addgeom="6" addnum="2" addto="CB CG CA"/>
1083 <raddh hclass="aliphatic" addgeom="6" addnum="2" addto="CG CD CB"/>
1084 <raddh hclass="aliphatic" addgeom="6" addnum="2" addto="CD CE CG"/>
1085 <raddh hclass="aliphatic" addgeom="6" addnum="2" addto="CE NZ CD"/>
1086 <raddh hclass="polar" addgeom="4" addnum="2" addto="NZ CE CD"/>
1087 </residue>
1089 <residue restype="LYSH">
1090 <ratom name="N">
1091 <ratom name="H">
1092 <ratom name="CA">
1093 <ratom name="HA">
1094 <ratom name="CB">
1095 <ratom name="HB1">
1096 <ratom name="HB2">
1097 <ratom name="CG">
1098 <ratom name="HG1">
1099 <ratom name="HG2">
1100 <ratom name="CD">
1101 <ratom name="HD1">
1102 <ratom name="HD2">
1103 <ratom name="CE">
1104 <ratom name="HE1">
1105 <ratom name="HE2">
1106 <ratom name="NZ">
1107 <ratom name="HZ1">
1108 <ratom name="HZ2">
1109 <ratom name="HZ3">
1110 <ratom name="C">
1111 <ratom name="O">
1112 <rbond a1="N" a2="H"/>
1113 <rbond a1="N" a2="CA"/>
1114 <rbond a1="CA" a2="HA"/>
1115 <rbond a1="CA" a2="CB"/>
1116 <rbond a1="CA" a2="C"/>
1117 <rbond a1="CB" a2="HB1"/>
1118 <rbond a1="CB" a2="HB2"/>
1119 <rbond a1="CB" a2="CG"/>
1120 <rbond a1="CG" a2="HG1"/>
1121 <rbond a1="CG" a2="HG2"/>
1122 <rbond a1="CG" a2="CD"/>
1123 <rbond a1="CD" a2="HD1"/>
1124 <rbond a1="CD" a2="HD2"/>
1125 <rbond a1="CD" a2="CE"/>
1126 <rbond a1="CE" a2="HE1"/>
1127 <rbond a1="CE" a2="HE2"/>
1128 <rbond a1="CE" a2="NZ"/>
1129 <rbond a1="NZ" a2="HZ1"/>
1130 <rbond a1="NZ" a2="HZ2"/>
1131 <rbond a1="NZ" a2="HZ3"/>
1132 <rbond a1="C" a2="O"/>
1133 <rbond a1="-C" a2="N"/>
1134 <rimproper a1="N" a2="-C" a3="CA" a4="H"/>
1135 <rimproper a1="-C" a2="-CA" a3="N" a4="-O"/>
1136 <rimproper a1="CA" a2="N" a3="C" a4="CB"/>
1137 <raddh hclass="polar" addgeom="1" addnum="1" addto="N -C CA"/>
1138 <raddh hclass="aliphatic" addgeom="5" addnum="1" addto="CA N C CB"/>
1139 <raddh hclass="aliphatic" addgeom="6" addnum="2" addto="CB CG CA"/>
1140 <raddh hclass="aliphatic" addgeom="6" addnum="2" addto="CG CD CB"/>
1141 <raddh hclass="aliphatic" addgeom="6" addnum="2" addto="CD CE CG"/>
1142 <raddh hclass="aliphatic" addgeom="6" addnum="2" addto="CE NZ CD"/>
1143 <raddh hclass="polar" addgeom="4" addnum="3" addto="NZ CE CD"/>
1144 </residue>
1146 <residue restype="MET">
1147 <ratom name="N">
1148 <ratom name="H">
1149 <ratom name="CA">
1150 <ratom name="HA">
1151 <ratom name="CB">
1152 <ratom name="HB1">
1153 <ratom name="HB2">
1154 <ratom name="CG">
1155 <ratom name="HG1">
1156 <ratom name="HG2">
1157 <ratom name="SD">
1158 <ratom name="CE">
1159 <ratom name="HE1">
1160 <ratom name="HE2">
1161 <ratom name="HE3">
1162 <ratom name="C">
1163 <ratom name="O">
1164 <rbond a1="N" a2="H"/>
1165 <rbond a1="N" a2="CA"/>
1166 <rbond a1="CA" a2="HA"/>
1167 <rbond a1="CA" a2="CB"/>
1168 <rbond a1="CA" a2="C"/>
1169 <rbond a1="CB" a2="HB1"/>
1170 <rbond a1="CB" a2="HB2"/>
1171 <rbond a1="CB" a2="CG"/>
1172 <rbond a1="CG" a2="HG1"/>
1173 <rbond a1="CG" a2="HG2"/>
1174 <rbond a1="CG" a2="SD"/>
1175 <rbond a1="SD" a2="CE"/>
1176 <rbond a1="CE" a2="HE1"/>
1177 <rbond a1="CE" a2="HE2"/>
1178 <rbond a1="CE" a2="HE3"/>
1179 <rbond a1="C" a2="O"/>
1180 <rbond a1="-C" a2="N"/>
1181 <rimproper a1="N" a2="-C" a3="CA" a4="H"/>
1182 <rimproper a1="-C" a2="-CA" a3="N" a4="-O"/>
1183 <rimproper a1="CA" a2="N" a3="C" a4="CB"/>
1184 <raddh hclass="polar" addgeom="1" addnum="1" addto="N -C CA"/>
1185 <raddh hclass="aliphatic" addgeom="5" addnum="1" addto="CA N C CB"/>
1186 <raddh hclass="aliphatic" addgeom="6" addnum="2" addto="CB CG CA"/>
1187 <raddh hclass="aliphatic" addgeom="6" addnum="2" addto="CG SD CB"/>
1188 <raddh hclass="aliphatic" addgeom="4" addnum="3" addto="CE SD CG"/>
1189 </residue>
1191 <residue restype="NAC">
1192 <ratom name="N">
1193 <ratom name="H">
1194 <ratom name="CA">
1195 <ratom name="HA1">
1196 <ratom name="HA2">
1197 <ratom name="HA3">
1198 <rbond a1="N" a2="H"/>
1199 <rbond a1="N" a2="CA"/>
1200 <rbond a1="CA" a2="HA1"/>
1201 <rbond a1="CA" a2="HA2"/>
1202 <rbond a1="CA" a2="HA3"/>
1203 <rbond a1="-C" a2="N"/>
1204 <rimproper a1="N" a2="-C" a3="CA" a4="H"/>
1205 <raddh hclass="polar" addgeom="1" addnum="1" addto="N -C CA"/>
1206 <raddh hclass="aliphatic" addgeom="4" addnum="3" addto="CA N -C"/>
1207 </residue>
1209 <residue restype="NH2">
1210 <ratom name="N">
1211 <ratom name="H1">
1212 <ratom name="H2">
1213 <rbond a1="-C" a2="N"/>
1214 <rbond a1="N" a2="H1"/>
1215 <rbond a1="N" a2="H2"/>
1216 <rimproper a1="-C" a2="H1" a3="H2" a4="N"/>
1217 <rimproper a1="-C" a2="-O" a3="N" a4="-CA"/>
1218 <raddh hclass="polar" addgeom="3" addnum="2" addto="N -C -CA"/>
1219 </residue>
1221 <residue restype="OCT">
1222 <ratom name="C1">
1223 <ratom name="H11">
1224 <ratom name="H12">
1225 <ratom name="H13">
1226 <ratom name="C2">
1227 <ratom name="H21">
1228 <ratom name="H22">
1229 <ratom name="C3">
1230 <ratom name="H31">
1231 <ratom name="H32">
1232 <ratom name="C4">
1233 <ratom name="H41">
1234 <ratom name="H42">
1235 <ratom name="C5">
1236 <ratom name="H51">
1237 <ratom name="H52">
1238 <ratom name="C6">
1239 <ratom name="H61">
1240 <ratom name="H62">
1241 <ratom name="C7">
1242 <ratom name="H71">
1243 <ratom name="H72">
1244 <ratom name="C8">
1245 <ratom name="H81">
1246 <ratom name="H82">
1247 <ratom name="O9">
1248 <ratom name="H10">
1249 <rbond a1="C1" a2="H11"/>
1250 <rbond a1="C1" a2="H12"/>
1251 <rbond a1="C1" a2="H13"/>
1252 <rbond a1="C1" a2="C2"/>
1253 <rbond a1="C2" a2="H21"/>
1254 <rbond a1="C2" a2="H22"/>
1255 <rbond a1="C2" a2="C3"/>
1256 <rbond a1="C3" a2="H31"/>
1257 <rbond a1="C3" a2="H32"/>
1258 <rbond a1="C3" a2="C4"/>
1259 <rbond a1="C4" a2="H41"/>
1260 <rbond a1="C4" a2="H42"/>
1261 <rbond a1="C4" a2="C5"/>
1262 <rbond a1="C5" a2="H51"/>
1263 <rbond a1="C5" a2="H52"/>
1264 <rbond a1="C5" a2="C6"/>
1265 <rbond a1="C6" a2="H61"/>
1266 <rbond a1="C6" a2="H62"/>
1267 <rbond a1="C6" a2="C7"/>
1268 <rbond a1="C7" a2="H71"/>
1269 <rbond a1="C7" a2="H72"/>
1270 <rbond a1="C7" a2="C8"/>
1271 <rbond a1="C8" a2="H81"/>
1272 <rbond a1="C8" a2="H82"/>
1273 <rbond a1="C8" a2="O9"/>
1274 <rbond a1="O9" a2="H10"/>
1275 <raddh hclass="aliphatic" addgeom="4" addnum="3" addto="C1 C2 C3"/>
1276 <raddh hclass="aliphatic" addgeom="6" addnum="2" addto="C2 C1 C3"/>
1277 <raddh hclass="aliphatic" addgeom="6" addnum="2" addto="C3 C2 C4"/>
1278 <raddh hclass="aliphatic" addgeom="6" addnum="2" addto="C4 C3 C5"/>
1279 <raddh hclass="aliphatic" addgeom="6" addnum="2" addto="C5 C4 C6"/>
1280 <raddh hclass="aliphatic" addgeom="6" addnum="2" addto="C6 C5 C7"/>
1281 <raddh hclass="aliphatic" addgeom="6" addnum="2" addto="C7 C6 C8"/>
1282 <raddh hclass="aliphatic" addgeom="6" addnum="2" addto="C8 C7 O9"/>
1283 </residue>
1285 <residue restype="PHE">
1286 <ratom name="N">
1287 <ratom name="H">
1288 <ratom name="CA">
1289 <ratom name="HA">
1290 <ratom name="CB">
1291 <ratom name="HB1">
1292 <ratom name="HB2">
1293 <ratom name="CG">
1294 <ratom name="CD1">
1295 <ratom name="HD1">
1296 <ratom name="CD2">
1297 <ratom name="HD2">
1298 <ratom name="CE1">
1299 <ratom name="HE1">
1300 <ratom name="CE2">
1301 <ratom name="HE2">
1302 <ratom name="CZ">
1303 <ratom name="HZ">
1304 <ratom name="C">
1305 <ratom name="O">
1306 <rbond a1="N" a2="H"/>
1307 <rbond a1="N" a2="CA"/>
1308 <rbond a1="CA" a2="HA"/>
1309 <rbond a1="CA" a2="CB"/>
1310 <rbond a1="CA" a2="C"/>
1311 <rbond a1="CB" a2="HB1"/>
1312 <rbond a1="CB" a2="HB2"/>
1313 <rbond a1="CB" a2="CG"/>
1314 <rbond a1="CG" a2="CD1"/>
1315 <rbond a1="CG" a2="CD2"/>
1316 <rbond a1="CD1" a2="HD1"/>
1317 <rbond a1="CD1" a2="CE1"/>
1318 <rbond a1="CD2" a2="HD2"/>
1319 <rbond a1="CD2" a2="CE2"/>
1320 <rbond a1="CE1" a2="HE1"/>
1321 <rbond a1="CE1" a2="CZ"/>
1322 <rbond a1="CE2" a2="HE2"/>
1323 <rbond a1="CE2" a2="CZ"/>
1324 <rbond a1="CZ" a2="HZ"/>
1325 <rbond a1="C" a2="O"/>
1326 <rbond a1="-C" a2="N"/>
1327 <rimproper a1="N" a2="-C" a3="CA" a4="H"/>
1328 <rimproper a1="CA" a2="N" a3="C" a4="CB"/>
1329 <rimproper a1="CG" a2="CD1" a3="CD2" a4="CB"/>
1330 <rimproper a1="CD2" a2="CG" a3="CD1" a4="CE1"/>
1331 <rimproper a1="CD1" a2="CG" a3="CD2" a4="CE2"/>
1332 <rimproper a1="CG" a2="CD1" a3="CE1" a4="CZ"/>
1333 <rimproper a1="CG" a2="CD2" a3="CE2" a4="CZ"/>
1334 <rimproper a1="CD1" a2="CE1" a3="CZ" a4="CE2"/>
1335 <rimproper a1="CD2" a2="CE2" a3="CZ" a4="CE1"/>
1336 <rimproper a1="CD1" a2="CE1" a3="CG" a4="HD1"/>
1337 <rimproper a1="CE1" a2="CZ" a3="CD1" a4="HE1"/>
1338 <rimproper a1="CZ" a2="CE2" a3="CE1" a4="HZ"/>
1339 <rimproper a1="CE2" a2="CD2" a3="CZ" a4="HE2"/>
1340 <rimproper a1="CD2" a2="CG" a3="CE2" a4="HD2"/>
1341 <rimproper a1="-C" a2="-CA" a3="N" a4="-O"/>
1342 <raddh hclass="polar" addgeom="1" addnum="1" addto="N -C CA"/>
1343 <raddh hclass="aliphatic" addgeom="5" addnum="1" addto="CA N C CB"/>
1344 <raddh hclass="aliphatic" addgeom="6" addnum="2" addto="CB CG CA"/>
1345 <raddh hclass="aliphatic" addgeom="1" addnum="1" addto="CD1 CG CE1"/>
1346 <raddh hclass="aliphatic" addgeom="1" addnum="1" addto="CD2 CG CE2"/>
1347 <raddh hclass="aliphatic" addgeom="1" addnum="1" addto="CE1 CD1 CZ"/>
1348 <raddh hclass="aliphatic" addgeom="1" addnum="1" addto="CE2 CD2 CZ"/>
1349 <raddh hclass="aliphatic" addgeom="1" addnum="1" addto="CZ CE1 CE2"/>
1350 </residue>
1352 <residue restype="PRO">
1353 <ratom name="N">
1354 <ratom name="CA">
1355 <ratom name="HA">
1356 <ratom name="CB">
1357 <ratom name="HB1">
1358 <ratom name="HB2">
1359 <ratom name="CG">
1360 <ratom name="HG1">
1361 <ratom name="HG2">
1362 <ratom name="CD">
1363 <ratom name="HD1">
1364 <ratom name="HD2">
1365 <ratom name="C">
1366 <ratom name="O">
1367 <rbond a1="N" a2="CA"/>
1368 <rbond a1="CA" a2="HA"/>
1369 <rbond a1="CA" a2="CB"/>
1370 <rbond a1="CA" a2="C"/>
1371 <rbond a1="CB" a2="HB1"/>
1372 <rbond a1="CB" a2="HB2"/>
1373 <rbond a1="CB" a2="CG"/>
1374 <rbond a1="CG" a2="HG1"/>
1375 <rbond a1="CG" a2="HG2"/>
1376 <rbond a1="CG" a2="CD"/>
1377 <rbond a1="CD" a2="HD1"/>
1378 <rbond a1="CD" a2="HD2"/>
1379 <rbond a1="CD" a2="N"/>
1380 <rbond a1="C" a2="O"/>
1381 <rbond a1="-C" a2="N"/>
1382 <rimproper a1="N" a2="-C" a3="CA" a4="CD"/>
1383 <rimproper a1="-C" a2="-CA" a3="N" a4="-O"/>
1384 <rimproper a1="CA" a2="N" a3="C" a4="CB"/>
1385 <raddh hclass="aliphatic" addgeom="5" addnum="1" addto="CA N C CB"/>
1386 <raddh hclass="aliphatic" addgeom="6" addnum="2" addto="CB CG CA"/>
1387 <raddh hclass="aliphatic" addgeom="6" addnum="2" addto="CG CD CB"/>
1388 <raddh hclass="aliphatic" addgeom="6" addnum="2" addto="CD N CG"/>
1389 </residue>
1391 <residue restype="SER">
1392 <ratom name="N">
1393 <ratom name="H">
1394 <ratom name="CA">
1395 <ratom name="HA">
1396 <ratom name="CB">
1397 <ratom name="HB1">
1398 <ratom name="HB2">
1399 <ratom name="OG">
1400 <ratom name="HG">
1401 <ratom name="C">
1402 <ratom name="O">
1403 <rbond a1="N" a2="H"/>
1404 <rbond a1="N" a2="CA"/>
1405 <rbond a1="CA" a2="HA"/>
1406 <rbond a1="CA" a2="CB"/>
1407 <rbond a1="CA" a2="C"/>
1408 <rbond a1="CB" a2="HB1"/>
1409 <rbond a1="CB" a2="HB2"/>
1410 <rbond a1="CB" a2="OG"/>
1411 <rbond a1="OG" a2="HG"/>
1412 <rbond a1="C" a2="O"/>
1413 <rbond a1="-C" a2="N"/>
1414 <rimproper a1="N" a2="-C" a3="CA" a4="H"/>
1415 <rimproper a1="-C" a2="-CA" a3="N" a4="-O"/>
1416 <rimproper a1="CA" a2="N" a3="C" a4="CB"/>
1417 <raddh hclass="polar" addgeom="1" addnum="1" addto="N -C CA"/>
1418 <raddh hclass="aliphatic" addgeom="5" addnum="1" addto="CA N C CB"/>
1419 <raddh hclass="aliphatic" addgeom="6" addnum="2" addto="CB OG CA"/>
1420 <raddh hclass="polar" addgeom="2" addnum="1" addto="OG CB CA"/>
1421 </residue>
1423 <residue restype="THR">
1424 <ratom name="N">
1425 <ratom name="H">
1426 <ratom name="CA">
1427 <ratom name="HA">
1428 <ratom name="CB">
1429 <ratom name="HB">
1430 <ratom name="OG1">
1431 <ratom name="HG1">
1432 <ratom name="CG2">
1433 <ratom name="HG21">
1434 <ratom name="HG22">
1435 <ratom name="HG23">
1436 <ratom name="C">
1437 <ratom name="O">
1438 <rbond a1="N" a2="H"/>
1439 <rbond a1="N" a2="CA"/>
1440 <rbond a1="CA" a2="HA"/>
1441 <rbond a1="CA" a2="CB"/>
1442 <rbond a1="CA" a2="C"/>
1443 <rbond a1="CB" a2="HB"/>
1444 <rbond a1="CB" a2="OG1"/>
1445 <rbond a1="CB" a2="CG2"/>
1446 <rbond a1="OG1" a2="HG1"/>
1447 <rbond a1="CG2" a2="HG21"/>
1448 <rbond a1="CG2" a2="HG22"/>
1449 <rbond a1="CG2" a2="HG23"/>
1450 <rbond a1="C" a2="O"/>
1451 <rbond a1="-C" a2="N"/>
1452 <rimproper a1="N" a2="-C" a3="CA" a4="H"/>
1453 <rimproper a1="-C" a2="-CA" a3="N" a4="-O"/>
1454 <rimproper a1="CA" a2="N" a3="C" a4="CB"/>
1455 <rimproper a1="CB" a2="OG1" a3="CG2" a4="CA"/>
1456 <raddh hclass="polar" addgeom="1" addnum="1" addto="N -C CA"/>
1457 <raddh hclass="aliphatic" addgeom="5" addnum="1" addto="CA N C CB"/>
1458 <raddh hclass="aliphatic" addgeom="5" addnum="1" addto="CB CA OG1 CG2"/>
1459 <raddh hclass="polar" addgeom="2" addnum="1" addto="OG1 CB CA"/>
1460 <raddh hclass="aliphatic" addgeom="4" addnum="3" addto="CG2 CB CA"/>
1461 </residue>
1463 <residue restype="TRP">
1464 <ratom name="N">
1465 <ratom name="H">
1466 <ratom name="CA">
1467 <ratom name="HA">
1468 <ratom name="CB">
1469 <ratom name="HB1">
1470 <ratom name="HB2">
1471 <ratom name="CG">
1472 <ratom name="CD1">
1473 <ratom name="HD1">
1474 <ratom name="CD2">
1475 <ratom name="NE1">
1476 <ratom name="HE1">
1477 <ratom name="CE2">
1478 <ratom name="CE3">
1479 <ratom name="HE3">
1480 <ratom name="CZ2">
1481 <ratom name="HZ2">
1482 <ratom name="CZ3">
1483 <ratom name="HZ3">
1484 <ratom name="CH2">
1485 <ratom name="HH2">
1486 <ratom name="C">
1487 <ratom name="O">
1488 <rbond a1="N" a2="H"/>
1489 <rbond a1="N" a2="CA"/>
1490 <rbond a1="CA" a2="HA"/>
1491 <rbond a1="CA" a2="CB"/>
1492 <rbond a1="CA" a2="C"/>
1493 <rbond a1="CB" a2="HB1"/>
1494 <rbond a1="CB" a2="HB2"/>
1495 <rbond a1="CB" a2="CG"/>
1496 <rbond a1="CG" a2="CD1"/>
1497 <rbond a1="CG" a2="CD2"/>
1498 <rbond a1="CD1" a2="HD1"/>
1499 <rbond a1="CD1" a2="NE1"/>
1500 <rbond a1="CD2" a2="CE2"/>
1501 <rbond a1="CD2" a2="CE3"/>
1502 <rbond a1="NE1" a2="HE1"/>
1503 <rbond a1="NE1" a2="CE2"/>
1504 <rbond a1="CE2" a2="CZ2"/>
1505 <rbond a1="CE3" a2="HE3"/>
1506 <rbond a1="CE3" a2="CZ3"/>
1507 <rbond a1="CZ2" a2="HZ2"/>
1508 <rbond a1="CZ2" a2="CH2"/>
1509 <rbond a1="CZ3" a2="HZ3"/>
1510 <rbond a1="CZ3" a2="CH2"/>
1511 <rbond a1="CH2" a2="HH2"/>
1512 <rbond a1="C" a2="O"/>
1513 <rbond a1="-C" a2="N"/>
1514 <rimproper a1="N" a2="-C" a3="CA" a4="H"/>
1515 <rimproper a1="CA" a2="N" a3="C" a4="CB"/>
1516 <rimproper a1="CG" a2="CD1" a3="CD2" a4="CB"/>
1517 <rimproper a1="CD2" a2="CG" a3="CD1" a4="NE1"/>
1518 <rimproper a1="CD1" a2="CG" a3="CD2" a4="CE2"/>
1519 <rimproper a1="CG" a2="CD1" a3="NE1" a4="CE2"/>
1520 <rimproper a1="CG" a2="CD2" a3="CE2" a4="NE1"/>
1521 <rimproper a1="CD1" a2="NE1" a3="CE2" a4="CD2"/>
1522 <rimproper a1="NE1" a2="CD1" a3="CE2" a4="HE1"/>
1523 <rimproper a1="CD1" a2="CG" a3="NE1" a4="HD1"/>
1524 <rimproper a1="CD2" a2="CE2" a3="CE3" a4="CG"/>
1525 <rimproper a1="CE2" a2="CD2" a3="CZ2" a4="NE1"/>
1526 <rimproper a1="CE3" a2="CD2" a3="CE2" a4="CZ2"/>
1527 <rimproper a1="CD2" a2="CE2" a3="CZ2" a4="CH2"/>
1528 <rimproper a1="CE2" a2="CD2" a3="CE3" a4="CZ3"/>
1529 <rimproper a1="CE2" a2="CZ2" a3="CH2" a4="CZ3"/>
1530 <rimproper a1="CD2" a2="CE3" a3="CZ3" a4="CH2"/>
1531 <rimproper a1="CE3" a2="CZ3" a3="CH2" a4="CZ2"/>
1532 <rimproper a1="CE3" a2="CD2" a3="CZ3" a4="HE3"/>
1533 <rimproper a1="CZ3" a2="CE3" a3="CH2" a4="HZ3"/>
1534 <rimproper a1="CH2" a2="CZ3" a3="CZ2" a4="HH2"/>
1535 <rimproper a1="CZ2" a2="CH2" a3="CE2" a4="HZ2"/>
1536 <rimproper a1="-C" a2="-CA" a3="N" a4="-O"/>
1537 <raddh hclass="polar" addgeom="1" addnum="1" addto="N -C CA"/>
1538 <raddh hclass="aliphatic" addgeom="5" addnum="1" addto="CA N C CB"/>
1539 <raddh hclass="aliphatic" addgeom="6" addnum="2" addto="CB CG CA"/>
1540 <raddh hclass="aliphatic" addgeom="1" addnum="1" addto="CD1 NE1 CG"/>
1541 <raddh hclass="polar" addgeom="1" addnum="1" addto="NE1 CD1 CE2"/>
1542 <raddh hclass="aliphatic" addgeom="1" addnum="1" addto="CE3 CD2 CZ3"/>
1543 <raddh hclass="aliphatic" addgeom="1" addnum="1" addto="CZ3 CE3 CH2"/>
1544 <raddh hclass="aliphatic" addgeom="1" addnum="1" addto="CH2 CZ3 CZ2"/>
1545 <raddh hclass="aliphatic" addgeom="1" addnum="1" addto="CZ2 CE2 CH2"/>
1546 </residue>
1548 <residue restype="TYR">
1549 <ratom name="N">
1550 <ratom name="H">
1551 <ratom name="CA">
1552 <ratom name="HA">
1553 <ratom name="CB">
1554 <ratom name="HB1">
1555 <ratom name="HB2">
1556 <ratom name="CG">
1557 <ratom name="CD1">
1558 <ratom name="HD1">
1559 <ratom name="CD2">
1560 <ratom name="HD2">
1561 <ratom name="CE1">
1562 <ratom name="HE1">
1563 <ratom name="CE2">
1564 <ratom name="HE2">
1565 <ratom name="CZ">
1566 <ratom name="OH">
1567 <ratom name="HH">
1568 <ratom name="C">
1569 <ratom name="O">
1570 <rbond a1="N" a2="H"/>
1571 <rbond a1="N" a2="CA"/>
1572 <rbond a1="CA" a2="HA"/>
1573 <rbond a1="CA" a2="CB"/>
1574 <rbond a1="CA" a2="C"/>
1575 <rbond a1="CB" a2="HB1"/>
1576 <rbond a1="CB" a2="HB2"/>
1577 <rbond a1="CB" a2="CG"/>
1578 <rbond a1="CG" a2="CD1"/>
1579 <rbond a1="CG" a2="CD2"/>
1580 <rbond a1="CD1" a2="HD1"/>
1581 <rbond a1="CD1" a2="CE1"/>
1582 <rbond a1="CD2" a2="HD2"/>
1583 <rbond a1="CD2" a2="CE2"/>
1584 <rbond a1="CE1" a2="HE1"/>
1585 <rbond a1="CE1" a2="CZ"/>
1586 <rbond a1="CE2" a2="HE2"/>
1587 <rbond a1="CE2" a2="CZ"/>
1588 <rbond a1="CZ" a2="OH"/>
1589 <rbond a1="OH" a2="HH"/>
1590 <rbond a1="C" a2="O"/>
1591 <rbond a1="-C" a2="N"/>
1592 <rimproper a1="N" a2="-C" a3="CA" a4="H"/>
1593 <rimproper a1="CA" a2="N" a3="C" a4="CB"/>
1594 <rimproper a1="CG" a2="CD1" a3="CD2" a4="CB"/>
1595 <rimproper a1="CD2" a2="CG" a3="CD1" a4="CE1"/>
1596 <rimproper a1="CD1" a2="CG" a3="CD2" a4="CE2"/>
1597 <rimproper a1="CG" a2="CD1" a3="CE1" a4="CZ"/>
1598 <rimproper a1="CG" a2="CD2" a3="CE2" a4="CZ"/>
1599 <rimproper a1="CD1" a2="CE1" a3="CZ" a4="CE2"/>
1600 <rimproper a1="CD2" a2="CE2" a3="CZ" a4="CE1"/>
1601 <rimproper a1="CD1" a2="CE1" a3="CG" a4="HD1"/>
1602 <rimproper a1="CE1" a2="CD1" a3="CZ" a4="HE1"/>
1603 <rimproper a1="CZ" a2="CE1" a3="CE2" a4="OH"/>
1604 <rimproper a1="CE2" a2="CZ" a3="CD2" a4="HE2"/>
1605 <rimproper a1="CD2" a2="CE2" a3="CG" a4="HD2"/>
1606 <rimproper a1="-C" a2="-CA" a3="N" a4="-O"/>
1607 <raddh hclass="polar" addgeom="1" addnum="1" addto="N -C CA"/>
1608 <raddh hclass="aliphatic" addgeom="5" addnum="1" addto="CA N C CB"/>
1609 <raddh hclass="aliphatic" addgeom="6" addnum="2" addto="CB CG CA"/>
1610 <raddh hclass="aliphatic" addgeom="1" addnum="1" addto="CD1 CG CE1"/>
1611 <raddh hclass="aliphatic" addgeom="1" addnum="1" addto="CD2 CG CE2"/>
1612 <raddh hclass="aliphatic" addgeom="1" addnum="1" addto="CE1 CD1 CZ"/>
1613 <raddh hclass="aliphatic" addgeom="1" addnum="1" addto="CE2 CD2 CZ"/>
1614 <raddh hclass="polar" addgeom="2" addnum="1" addto="OH CZ CE1"/>
1615 </residue>
1617 <residue restype="VAL">
1618 <ratom name="N">
1619 <ratom name="H">
1620 <ratom name="CA">
1621 <ratom name="HA">
1622 <ratom name="CB">
1623 <ratom name="HB">
1624 <ratom name="CG1">
1625 <ratom name="HG11">
1626 <ratom name="HG12">
1627 <ratom name="HG13">
1628 <ratom name="CG2">
1629 <ratom name="HG21">
1630 <ratom name="HG22">
1631 <ratom name="HG23">
1632 <ratom name="C">
1633 <ratom name="O">
1634 <rbond a1="N" a2="H"/>
1635 <rbond a1="N" a2="CA"/>
1636 <rbond a1="CA" a2="HA"/>
1637 <rbond a1="CA" a2="CB"/>
1638 <rbond a1="CA" a2="C"/>
1639 <rbond a1="CB" a2="HB"/>
1640 <rbond a1="CB" a2="CG1"/>
1641 <rbond a1="CB" a2="CG2"/>
1642 <rbond a1="CG1" a2="HG11"/>
1643 <rbond a1="CG1" a2="HG12"/>
1644 <rbond a1="CG1" a2="HG13"/>
1645 <rbond a1="CG2" a2="HG21"/>
1646 <rbond a1="CG2" a2="HG22"/>
1647 <rbond a1="CG2" a2="HG23"/>
1648 <rbond a1="C" a2="O"/>
1649 <rbond a1="-C" a2="N"/>
1650 <rimproper a1="N" a2="-C" a3="CA" a4="H"/>
1651 <rimproper a1="-C" a2="-CA" a3="N" a4="-O"/>
1652 <rimproper a1="CA" a2="N" a3="C" a4="CB"/>
1653 <rimproper a1="CB" a2="CG2" a3="CG1" a4="CA"/>
1654 <raddh hclass="polar" addgeom="1" addnum="1" addto="N -C CA"/>
1655 <raddh hclass="aliphatic" addgeom="5" addnum="1" addto="CA N C CB"/>
1656 <raddh hclass="aliphatic" addgeom="5" addnum="1" addto="CB CA CG1 CG2"/>
1657 <raddh hclass="aliphatic" addgeom="4" addnum="3" addto="CG1 CB CA"/>
1658 <raddh hclass="aliphatic" addgeom="4" addnum="3" addto="CG2 CB CA"/>
1659 </residue>
1661 <linkdef linktype="peptide" restype="* *" atomprev="C" atomnext="N" refdist="0.133"/>
1662 <linkdef linktype="unknown" restype="CYS CYS" atomprev="SG" atomnext="SG" refdist="0.2"/>
1663 <linkdef linktype="unknown" restype="CYS HEME" atomprev="SG" atomnext="FE" refdist="0.25"/>
1664 <linkdef linktype="unknown" restype="CYS HEME" atomprev="SG" atomnext="CAB" refdist="0.2"/>
1665 <linkdef linktype="unknown" restype="CYS HEME" atomprev="SG" atomnext="CAC" refdist="0.2"/>
1666 <linkdef linktype="unknown" restype="HIS HEME" atomprev="NE2" atomnext="FE" refdist="0.2"/>
1668 <moddef modtype="None"
1669 </moddef>
1671 <moddef modtype="NH3+"
1672 <modreplace oldname="N" newname="N"/>
1673 <modreplace oldname="CA" newname="CA"/>
1674 <modadd addname="H" addgeom="4" addto="N CA C"/>
1675 <moddelete delname="H"/>
1676 </moddef>
1678 <moddef modtype="NH2"
1679 <modreplace oldname="N" newname="N"/>
1680 <modadd addname="H" addgeom="4" addto="N CA C"/>
1681 <moddelete delname="H"/>
1682 </moddef>
1684 <moddef modtype="PRO-NH2+"
1685 <modreplace oldname="N" newname="N"/>
1686 <modadd addname="H" addgeom="4" addto="N CA C"/>
1687 </moddef>
1689 <moddef modtype="PRO-NH"
1690 <modreplace oldname="N" newname="N"/>
1691 <modadd addname="H" addgeom="4" addto="N CA C"/>
1692 </moddef>
1694 <moddef modtype="GLY-NH3+"
1695 <modreplace oldname="N" newname="N"/>
1696 <modreplace oldname="CA" newname="CA"/>
1697 <modadd addname="H" addgeom="4" addto="N CA C"/>
1698 <moddelete delname="H"/>
1699 </moddef>
1701 <moddef modtype="None"
1702 </moddef>
1704 <moddef modtype="COO-"
1705 <modreplace oldname="C" newname="C"/>
1706 <modadd addname="O" addgeom="3" addto="C CA N"/>
1707 <moddelete delname="O"/>
1708 </moddef>
1710 <moddef modtype="COOH"
1711 <modreplace oldname="C" newname="C"/>
1712 <modreplace oldname="O" newname="O"/>
1713 <modadd addname="OT" addgeom="2" addto="C CA N"/>
1714 <modadd addname="HO" addgeom="2" addto="O C CA"/>
1715 </moddef>
1717 </residues>