В этом задании предлагалось провести макромолекулярный докинг с помощью программы zdock для связывания фрагмента антитела (VHH domain) c панкреатической альфа-амилазой.
%%bash
export LD_LIBRARY_PATH=${LD_LIBRARY_PATH}:/home/preps/golovin/progs/lib
export PATH=${PATH}:/home/preps/golovin/progs/bin
! wget http://kodomo.cmm.msu.ru/~golovin/zdock/amylase.pdb
! wget http://kodomo.cmm.msu.ru/~golovin/zdock/camelid.pdb
! wget http://kodomo.cmm.msu.ru/~golovin/zdock/uniCHARMM
--2017-05-12 15:53:08-- http://kodomo.cmm.msu.ru/~golovin/zdock/amylase.pdb Resolving kodomo.cmm.msu.ru... 93.180.63.127 Connecting to kodomo.cmm.msu.ru|93.180.63.127|:80... connected. HTTP request sent, awaiting response... 200 OK Length: 387504 (378K) [chemical/x-pdb] Saving to: `amylase.pdb' 100%[======================================>] 387,504 --.-K/s in 0.001s 2017-05-12 15:53:08 (326 MB/s) - `amylase.pdb' saved [387504/387504] --2017-05-12 15:53:08-- http://kodomo.cmm.msu.ru/~golovin/zdock/camelid.pdb Resolving kodomo.cmm.msu.ru... 93.180.63.127 Connecting to kodomo.cmm.msu.ru|93.180.63.127|:80... connected. HTTP request sent, awaiting response... 200 OK Length: 73224 (72K) [chemical/x-pdb] Saving to: `camelid.pdb' 100%[======================================>] 73,224 --.-K/s in 0s 2017-05-12 15:53:08 (380 MB/s) - `camelid.pdb' saved [73224/73224] --2017-05-12 15:53:08-- http://kodomo.cmm.msu.ru/~golovin/zdock/uniCHARMM Resolving kodomo.cmm.msu.ru... 93.180.63.127 Connecting to kodomo.cmm.msu.ru|93.180.63.127|:80... connected. HTTP request sent, awaiting response... 200 OK Length: 17376 (17K) Saving to: `uniCHARMM' 100%[======================================>] 17,376 --.-K/s in 0s 2017-05-12 15:53:08 (170 MB/s) - `uniCHARMM' saved [17376/17376]
В терминале запускала: pdb2gmx -f camelid.pdb -o camelid_h.pdb -p с параметрами 9 и 1 pdb2gmx -f amylase.pdb -o amylase_h.pdb -p -ignh с параметрами 9 и 1 для добавления водородов в pdb-файлы
%%bash
export LD_LIBRARY_PATH=${LD_LIBRARY_PATH}:/home/preps/golovin/progs/lib
export PATH=${PATH}:/home/preps/golovin/progs/bin
mark_sur amylase_h.pdb amylase_m.pdb
1 TYR N unknown type. rad set to 1.9, chg 0
2 TYR H1 unknown type. rad set to 1.9, chg 0
3 TYR H2 unknown type. rad set to 1.9, chg 0
4 TYR H3 unknown type. rad set to 1.9, chg 0
9 TYR HD1unknown type. rad set to 1.9, chg 0
11 TYR HD2unknown type. rad set to 1.9, chg 0
13 TYR HE1unknown type. rad set to 1.9, chg 0
15 TYR HE2unknown type. rad set to 1.9, chg 0
18 TYR HH unknown type. rad set to 1.9, chg 0
19 TYR C unknown type. rad set to 1.9, chg 0
20 TYR O unknown type. rad set to 1.9, chg 0
21 ALA N unknown type. rad set to 1.9, chg 0
22 ALA H unknown type. rad set to 1.9, chg 0
25 ALA C unknown type. rad set to 1.9, chg 0
26 ALA O unknown type. rad set to 1.9, chg 0
27 PRO N unknown type. rad set to 1.9, chg 0
32 PRO C unknown type. rad set to 1.9, chg 0
33 PRO O unknown type. rad set to 1.9, chg 0
34 GLN N unknown type. rad set to 1.9, chg 0
35 GLN H unknown type. rad set to 1.9, chg 0
42 GLN 1HE2unknown type. rad set to 1.9, chg 0
43 GLN 2HE2unknown type. rad set to 1.9, chg 0
44 GLN C unknown type. rad set to 1.9, chg 0
45 GLN O unknown type. rad set to 1.9, chg 0
46 THR N unknown type. rad set to 1.9, chg 0
47 THR H unknown type. rad set to 1.9, chg 0
51 THR HG1unknown type. rad set to 1.9, chg 0
53 THR C unknown type. rad set to 1.9, chg 0
54 THR O unknown type. rad set to 1.9, chg 0
55 GLN N unknown type. rad set to 1.9, chg 0
56 GLN H unknown type. rad set to 1.9, chg 0
63 GLN 1HE2unknown type. rad set to 1.9, chg 0
64 GLN 2HE2unknown type. rad set to 1.9, chg 0
65 GLN C unknown type. rad set to 1.9, chg 0
66 GLN O unknown type. rad set to 1.9, chg 0
67 SER N unknown type. rad set to 1.9, chg 0
68 SER H unknown type. rad set to 1.9, chg 0
72 SER HG unknown type. rad set to 1.9, chg 0
73 SER C unknown type. rad set to 1.9, chg 0
74 SER O unknown type. rad set to 1.9, chg 0
75 GLY N unknown type. rad set to 1.9, chg 0
76 GLY H unknown type. rad set to 1.9, chg 0
78 GLY C unknown type. rad set to 1.9, chg 0
79 GLY O unknown type. rad set to 1.9, chg 0
80 ARG N unknown type. rad set to 1.9, chg 0
81 ARG H unknown type. rad set to 1.9, chg 0
87 ARG HE unknown type. rad set to 1.9, chg 0
90 ARG 1HH1unknown type. rad set to 1.9, chg 0
91 ARG 2HH1unknown type. rad set to 1.9, chg 0
93 ARG 1HH2unknown type. rad set to 1.9, chg 0
94 ARG 2HH2unknown type. rad set to 1.9, chg 0
95 ARG C unknown type. rad set to 1.9, chg 0
96 ARG O unknown type. rad set to 1.9, chg 0
97 THR N unknown type. rad set to 1.9, chg 0
98 THR H unknown type. rad set to 1.9, chg 0
102 THR HG1unknown type. rad set to 1.9, chg 0
104 THR C unknown type. rad set to 1.9, chg 0
105 THR O unknown type. rad set to 1.9, chg 0
106 SER N unknown type. rad set to 1.9, chg 0
107 SER H unknown type. rad set to 1.9, chg 0
111 SER HG unknown type. rad set to 1.9, chg 0
112 SER C unknown type. rad set to 1.9, chg 0
113 SER O unknown type. rad set to 1.9, chg 0
114 ILE N unknown type. rad set to 1.9, chg 0
115 ILE H unknown type. rad set to 1.9, chg 0
120 ILE CD unknown type. rad set to 1.9, chg 0
121 ILE C unknown type. rad set to 1.9, chg 0
122 ILE O unknown type. rad set to 1.9, chg 0
123 VAL N unknown type. rad set to 1.9, chg 0
124 VAL H unknown type. rad set to 1.9, chg 0
129 VAL C unknown type. rad set to 1.9, chg 0
130 VAL O unknown type. rad set to 1.9, chg 0
131 HIS N unknown type. rad set to 1.9, chg 0
132 HIS H unknown type. rad set to 1.9, chg 0
140 HIS HE2unknown type. rad set to 1.9, chg 0
141 HIS C unknown type. rad set to 1.9, chg 0
142 HIS O unknown type. rad set to 1.9, chg 0
143 LEU N unknown type. rad set to 1.9, chg 0
144 LEU H unknown type. rad set to 1.9, chg 0
150 LEU C unknown type. rad set to 1.9, chg 0
151 LEU O unknown type. rad set to 1.9, chg 0
152 PHE N unknown type. rad set to 1.9, chg 0
153 PHE H unknown type. rad set to 1.9, chg 0
158 PHE HD1unknown type. rad set to 1.9, chg 0
160 PHE HD2unknown type. rad set to 1.9, chg 0
162 PHE HE1unknown type. rad set to 1.9, chg 0
164 PHE HE2unknown type. rad set to 1.9, chg 0
166 PHE HZ unknown type. rad set to 1.9, chg 0
167 PHE C unknown type. rad set to 1.9, chg 0
168 PHE O unknown type. rad set to 1.9, chg 0
169 GLU N unknown type. rad set to 1.9, chg 0
170 GLU H unknown type. rad set to 1.9, chg 0
177 GLU C unknown type. rad set to 1.9, chg 0
178 GLU O unknown type. rad set to 1.9, chg 0
179 TRP N unknown type. rad set to 1.9, chg 0
180 TRP H unknown type. rad set to 1.9, chg 0
185 TRP HD1unknown type. rad set to 1.9, chg 0
188 TRP HE1unknown type. rad set to 1.9, chg 0
191 TRP HE3unknown type. rad set to 1.9, chg 0
193 TRP HZ2unknown type. rad set to 1.9, chg 0
195 TRP HZ3unknown type. rad set to 1.9, chg 0
197 TRP HH2unknown type. rad set to 1.9, chg 0
198 TRP C unknown type. rad set to 1.9, chg 0
199 TRP O unknown type. rad set to 1.9, chg 0
200 ARG N unknown type. rad set to 1.9, chg 0
201 ARG H unknown type. rad set to 1.9, chg 0
207 ARG HE unknown type. rad set to 1.9, chg 0
210 ARG 1HH1unknown type. rad set to 1.9, chg 0
211 ARG 2HH1unknown type. rad set to 1.9, chg 0
213 ARG 1HH2unknown type. rad set to 1.9, chg 0
214 ARG 2HH2unknown type. rad set to 1.9, chg 0
215 ARG C unknown type. rad set to 1.9, chg 0
216 ARG O unknown type. rad set to 1.9, chg 0
217 TRP N unknown type. rad set to 1.9, chg 0
218 TRP H unknown type. rad set to 1.9, chg 0
223 TRP HD1unknown type. rad set to 1.9, chg 0
226 TRP HE1unknown type. rad set to 1.9, chg 0
229 TRP HE3unknown type. rad set to 1.9, chg 0
231 TRP HZ2unknown type. rad set to 1.9, chg 0
233 TRP HZ3unknown type. rad set to 1.9, chg 0
235 TRP HH2unknown type. rad set to 1.9, chg 0
236 TRP C unknown type. rad set to 1.9, chg 0
237 TRP O unknown type. rad set to 1.9, chg 0
238 VAL N unknown type. rad set to 1.9, chg 0
239 VAL H unknown type. rad set to 1.9, chg 0
244 VAL C unknown type. rad set to 1.9, chg 0
245 VAL O unknown type. rad set to 1.9, chg 0
246 ASP N unknown type. rad set to 1.9, chg 0
247 ASP H unknown type. rad set to 1.9, chg 0
253 ASP C unknown type. rad set to 1.9, chg 0
254 ASP O unknown type. rad set to 1.9, chg 0
255 ILE N unknown type. rad set to 1.9, chg 0
256 ILE H unknown type. rad set to 1.9, chg 0
261 ILE CD unknown type. rad set to 1.9, chg 0
262 ILE C unknown type. rad set to 1.9, chg 0
263 ILE O unknown type. rad set to 1.9, chg 0
264 ALA N unknown type. rad set to 1.9, chg 0
265 ALA H unknown type. rad set to 1.9, chg 0
268 ALA C unknown type. rad set to 1.9, chg 0
269 ALA O unknown type. rad set to 1.9, chg 0
270 LEU N unknown type. rad set to 1.9, chg 0
271 LEU H unknown type. rad set to 1.9, chg 0
277 LEU C unknown type. rad set to 1.9, chg 0
278 LEU O unknown type. rad set to 1.9, chg 0
279 GLU N unknown type. rad set to 1.9, chg 0
280 GLU H unknown type. rad set to 1.9, chg 0
287 GLU C unknown type. rad set to 1.9, chg 0
288 GLU O unknown type. rad set to 1.9, chg 0
289 CYS N unknown type. rad set to 1.9, chg 0
290 CYS H unknown type. rad set to 1.9, chg 0
294 CYS C unknown type. rad set to 1.9, chg 0
295 CYS O unknown type. rad set to 1.9, chg 0
296 GLU N unknown type. rad set to 1.9, chg 0
297 GLU H unknown type. rad set to 1.9, chg 0
304 GLU C unknown type. rad set to 1.9, chg 0
305 GLU O unknown type. rad set to 1.9, chg 0
306 ARG N unknown type. rad set to 1.9, chg 0
307 ARG H unknown type. rad set to 1.9, chg 0
313 ARG HE unknown type. rad set to 1.9, chg 0
316 ARG 1HH1unknown type. rad set to 1.9, chg 0
317 ARG 2HH1unknown type. rad set to 1.9, chg 0
319 ARG 1HH2unknown type. rad set to 1.9, chg 0
320 ARG 2HH2unknown type. rad set to 1.9, chg 0
321 ARG C unknown type. rad set to 1.9, chg 0
322 ARG O unknown type. rad set to 1.9, chg 0
323 TYR N unknown type. rad set to 1.9, chg 0
324 TYR H unknown type. rad set to 1.9, chg 0
329 TYR HD1unknown type. rad set to 1.9, chg 0
331 TYR HD2unknown type. rad set to 1.9, chg 0
333 TYR HE1unknown type. rad set to 1.9, chg 0
335 TYR HE2unknown type. rad set to 1.9, chg 0
338 TYR HH unknown type. rad set to 1.9, chg 0
339 TYR C unknown type. rad set to 1.9, chg 0
340 TYR O unknown type. rad set to 1.9, chg 0
341 LEU N unknown type. rad set to 1.9, chg 0
342 LEU H unknown type. rad set to 1.9, chg 0
348 LEU C unknown type. rad set to 1.9, chg 0
349 LEU O unknown type. rad set to 1.9, chg 0
350 GLY N unknown type. rad set to 1.9, chg 0
351 GLY H unknown type. rad set to 1.9, chg 0
353 GLY C unknown type. rad set to 1.9, chg 0
354 GLY O unknown type. rad set to 1.9, chg 0
355 PRO N unknown type. rad set to 1.9, chg 0
360 PRO C unknown type. rad set to 1.9, chg 0
361 PRO O unknown type. rad set to 1.9, chg 0
362 LYS N unknown type. rad set to 1.9, chg 0
363 LYS H unknown type. rad set to 1.9, chg 0
370 LYS HZ1unknown type. rad set to 1.9, chg 0
371 LYS HZ2unknown type. rad set to 1.9, chg 0
372 LYS HZ3unknown type. rad set to 1.9, chg 0
373 LYS C unknown type. rad set to 1.9, chg 0
374 LYS O unknown type. rad set to 1.9, chg 0
375 GLY N unknown type. rad set to 1.9, chg 0
376 GLY H unknown type. rad set to 1.9, chg 0
378 GLY C unknown type. rad set to 1.9, chg 0
379 GLY O unknown type. rad set to 1.9, chg 0
380 PHE N unknown type. rad set to 1.9, chg 0
381 PHE H unknown type. rad set to 1.9, chg 0
386 PHE HD1unknown type. rad set to 1.9, chg 0
388 PHE HD2unknown type. rad set to 1.9, chg 0
390 PHE HE1unknown type. rad set to 1.9, chg 0
392 PHE HE2unknown type. rad set to 1.9, chg 0
394 PHE HZ unknown type. rad set to 1.9, chg 0
395 PHE C unknown type. rad set to 1.9, chg 0
396 PHE O unknown type. rad set to 1.9, chg 0
397 GLY N unknown type. rad set to 1.9, chg 0
398 GLY H unknown type. rad set to 1.9, chg 0
400 GLY C unknown type. rad set to 1.9, chg 0
401 GLY O unknown type. rad set to 1.9, chg 0
402 GLY N unknown type. rad set to 1.9, chg 0
403 GLY H unknown type. rad set to 1.9, chg 0
405 GLY C unknown type. rad set to 1.9, chg 0
406 GLY O unknown type. rad set to 1.9, chg 0
407 VAL N unknown type. rad set to 1.9, chg 0
408 VAL H unknown type. rad set to 1.9, chg 0
413 VAL C unknown type. rad set to 1.9, chg 0
414 VAL O unknown type. rad set to 1.9, chg 0
415 GLN N unknown type. rad set to 1.9, chg 0
416 GLN H unknown type. rad set to 1.9, chg 0
423 GLN 1HE2unknown type. rad set to 1.9, chg 0
424 GLN 2HE2unknown type. rad set to 1.9, chg 0
425 GLN C unknown type. rad set to 1.9, chg 0
426 GLN O unknown type. rad set to 1.9, chg 0
427 VAL N unknown type. rad set to 1.9, chg 0
428 VAL H unknown type. rad set to 1.9, chg 0
433 VAL C unknown type. rad set to 1.9, chg 0
434 VAL O unknown type. rad set to 1.9, chg 0
435 SER N unknown type. rad set to 1.9, chg 0
436 SER H unknown type. rad set to 1.9, chg 0
440 SER HG unknown type. rad set to 1.9, chg 0
441 SER C unknown type. rad set to 1.9, chg 0
442 SER O unknown type. rad set to 1.9, chg 0
443 PRO N unknown type. rad set to 1.9, chg 0
448 PRO C unknown type. rad set to 1.9, chg 0
449 PRO O unknown type. rad set to 1.9, chg 0
450 PRO N unknown type. rad set to 1.9, chg 0
455 PRO C unknown type. rad set to 1.9, chg 0
456 PRO O unknown type. rad set to 1.9, chg 0
457 ASN N unknown type. rad set to 1.9, chg 0
458 ASN H unknown type. rad set to 1.9, chg 0
464 ASN 1HD2unknown type. rad set to 1.9, chg 0
465 ASN 2HD2unknown type. rad set to 1.9, chg 0
466 ASN C unknown type. rad set to 1.9, chg 0
467 ASN O unknown type. rad set to 1.9, chg 0
468 GLU N unknown type. rad set to 1.9, chg 0
469 GLU H unknown type. rad set to 1.9, chg 0
476 GLU C unknown type. rad set to 1.9, chg 0
477 GLU O unknown type. rad set to 1.9, chg 0
478 ASN N unknown type. rad set to 1.9, chg 0
479 ASN H unknown type. rad set to 1.9, chg 0
485 ASN 1HD2unknown type. rad set to 1.9, chg 0
486 ASN 2HD2unknown type. rad set to 1.9, chg 0
487 ASN C unknown type. rad set to 1.9, chg 0
488 ASN O unknown type. rad set to 1.9, chg 0
489 VAL N unknown type. rad set to 1.9, chg 0
490 VAL H unknown type. rad set to 1.9, chg 0
495 VAL C unknown type. rad set to 1.9, chg 0
496 VAL O unknown type. rad set to 1.9, chg 0
497 VAL N unknown type. rad set to 1.9, chg 0
498 VAL H unknown type. rad set to 1.9, chg 0
503 VAL C unknown type. rad set to 1.9, chg 0
504 VAL O unknown type. rad set to 1.9, chg 0
505 VAL N unknown type. rad set to 1.9, chg 0
506 VAL H unknown type. rad set to 1.9, chg 0
511 VAL C unknown type. rad set to 1.9, chg 0
512 VAL O unknown type. rad set to 1.9, chg 0
513 THR N unknown type. rad set to 1.9, chg 0
514 THR H unknown type. rad set to 1.9, chg 0
518 THR HG1unknown type. rad set to 1.9, chg 0
520 THR C unknown type. rad set to 1.9, chg 0
521 THR O unknown type. rad set to 1.9, chg 0
522 ASN N unknown type. rad set to 1.9, chg 0
523 ASN H unknown type. rad set to 1.9, chg 0
529 ASN 1HD2unknown type. rad set to 1.9, chg 0
530 ASN 2HD2unknown type. rad set to 1.9, chg 0
531 ASN C unknown type. rad set to 1.9, chg 0
532 ASN O unknown type. rad set to 1.9, chg 0
533 PRO N unknown type. rad set to 1.9, chg 0
538 PRO C unknown type. rad set to 1.9, chg 0
539 PRO O unknown type. rad set to 1.9, chg 0
540 SER N unknown type. rad set to 1.9, chg 0
541 SER H unknown type. rad set to 1.9, chg 0
545 SER HG unknown type. rad set to 1.9, chg 0
546 SER C unknown type. rad set to 1.9, chg 0
547 SER O unknown type. rad set to 1.9, chg 0
548 ARG N unknown type. rad set to 1.9, chg 0
549 ARG H unknown type. rad set to 1.9, chg 0
555 ARG HE unknown type. rad set to 1.9, chg 0
558 ARG 1HH1unknown type. rad set to 1.9, chg 0
559 ARG 2HH1unknown type. rad set to 1.9, chg 0
561 ARG 1HH2unknown type. rad set to 1.9, chg 0
562 ARG 2HH2unknown type. rad set to 1.9, chg 0
563 ARG C unknown type. rad set to 1.9, chg 0
564 ARG O unknown type. rad set to 1.9, chg 0
565 PRO N unknown type. rad set to 1.9, chg 0
570 PRO C unknown type. rad set to 1.9, chg 0
571 PRO O unknown type. rad set to 1.9, chg 0
572 TRP N unknown type. rad set to 1.9, chg 0
573 TRP H unknown type. rad set to 1.9, chg 0
578 TRP HD1unknown type. rad set to 1.9, chg 0
581 TRP HE1unknown type. rad set to 1.9, chg 0
584 TRP HE3unknown type. rad set to 1.9, chg 0
586 TRP HZ2unknown type. rad set to 1.9, chg 0
588 TRP HZ3unknown type. rad set to 1.9, chg 0
590 TRP HH2unknown type. rad set to 1.9, chg 0
591 TRP C unknown type. rad set to 1.9, chg 0
592 TRP O unknown type. rad set to 1.9, chg 0
593 TRP N unknown type. rad set to 1.9, chg 0
594 TRP H unknown type. rad set to 1.9, chg 0
599 TRP HD1unknown type. rad set to 1.9, chg 0
602 TRP HE1unknown type. rad set to 1.9, chg 0
605 TRP HE3unknown type. rad set to 1.9, chg 0
607 TRP HZ2unknown type. rad set to 1.9, chg 0
609 TRP HZ3unknown type. rad set to 1.9, chg 0
611 TRP HH2unknown type. rad set to 1.9, chg 0
612 TRP C unknown type. rad set to 1.9, chg 0
613 TRP O unknown type. rad set to 1.9, chg 0
614 GLU N unknown type. rad set to 1.9, chg 0
615 GLU H unknown type. rad set to 1.9, chg 0
622 GLU C unknown type. rad set to 1.9, chg 0
623 GLU O unknown type. rad set to 1.9, chg 0
624 ARG N unknown type. rad set to 1.9, chg 0
625 ARG H unknown type. rad set to 1.9, chg 0
631 ARG HE unknown type. rad set to 1.9, chg 0
634 ARG 1HH1unknown type. rad set to 1.9, chg 0
635 ARG 2HH1unknown type. rad set to 1.9, chg 0
637 ARG 1HH2unknown type. rad set to 1.9, chg 0
638 ARG 2HH2unknown type. rad set to 1.9, chg 0
639 ARG C unknown type. rad set to 1.9, chg 0
640 ARG O unknown type. rad set to 1.9, chg 0
641 TYR N unknown type. rad set to 1.9, chg 0
642 TYR H unknown type. rad set to 1.9, chg 0
647 TYR HD1unknown type. rad set to 1.9, chg 0
649 TYR HD2unknown type. rad set to 1.9, chg 0
651 TYR HE1unknown type. rad set to 1.9, chg 0
653 TYR HE2unknown type. rad set to 1.9, chg 0
656 TYR HH unknown type. rad set to 1.9, chg 0
657 TYR C unknown type. rad set to 1.9, chg 0
658 TYR O unknown type. rad set to 1.9, chg 0
659 GLN N unknown type. rad set to 1.9, chg 0
660 GLN H unknown type. rad set to 1.9, chg 0
667 GLN 1HE2unknown type. rad set to 1.9, chg 0
668 GLN 2HE2unknown type. rad set to 1.9, chg 0
669 GLN C unknown type. rad set to 1.9, chg 0
670 GLN O unknown type. rad set to 1.9, chg 0
671 PRO N unknown type. rad set to 1.9, chg 0
676 PRO C unknown type. rad set to 1.9, chg 0
677 PRO O unknown type. rad set to 1.9, chg 0
678 VAL N unknown type. rad set to 1.9, chg 0
679 VAL H unknown type. rad set to 1.9, chg 0
684 VAL C unknown type. rad set to 1.9, chg 0
685 VAL O unknown type. rad set to 1.9, chg 0
686 SER N unknown type. rad set to 1.9, chg 0
687 SER H unknown type. rad set to 1.9, chg 0
691 SER HG unknown type. rad set to 1.9, chg 0
692 SER C unknown type. rad set to 1.9, chg 0
693 SER O unknown type. rad set to 1.9, chg 0
694 TYR N unknown type. rad set to 1.9, chg 0
695 TYR H unknown type. rad set to 1.9, chg 0
700 TYR HD1unknown type. rad set to 1.9, chg 0
702 TYR HD2unknown type. rad set to 1.9, chg 0
704 TYR HE1unknown type. rad set to 1.9, chg 0
706 TYR HE2unknown type. rad set to 1.9, chg 0
709 TYR HH unknown type. rad set to 1.9, chg 0
710 TYR C unknown type. rad set to 1.9, chg 0
711 TYR O unknown type. rad set to 1.9, chg 0
712 LYS N unknown type. rad set to 1.9, chg 0
713 LYS H unknown type. rad set to 1.9, chg 0
720 LYS HZ1unknown type. rad set to 1.9, chg 0
721 LYS HZ2unknown type. rad set to 1.9, chg 0
722 LYS HZ3unknown type. rad set to 1.9, chg 0
723 LYS C unknown type. rad set to 1.9, chg 0
724 LYS O unknown type. rad set to 1.9, chg 0
725 LEU N unknown type. rad set to 1.9, chg 0
726 LEU H unknown type. rad set to 1.9, chg 0
732 LEU C unknown type. rad set to 1.9, chg 0
733 LEU O unknown type. rad set to 1.9, chg 0
734 CYS N unknown type. rad set to 1.9, chg 0
735 CYS H unknown type. rad set to 1.9, chg 0
739 CYS C unknown type. rad set to 1.9, chg 0
740 CYS O unknown type. rad set to 1.9, chg 0
741 THR N unknown type. rad set to 1.9, chg 0
742 THR H unknown type. rad set to 1.9, chg 0
746 THR HG1unknown type. rad set to 1.9, chg 0
748 THR C unknown type. rad set to 1.9, chg 0
749 THR O unknown type. rad set to 1.9, chg 0
750 ARG N unknown type. rad set to 1.9, chg 0
751 ARG H unknown type. rad set to 1.9, chg 0
757 ARG HE unknown type. rad set to 1.9, chg 0
760 ARG 1HH1unknown type. rad set to 1.9, chg 0
761 ARG 2HH1unknown type. rad set to 1.9, chg 0
763 ARG 1HH2unknown type. rad set to 1.9, chg 0
764 ARG 2HH2unknown type. rad set to 1.9, chg 0
765 ARG C unknown type. rad set to 1.9, chg 0
766 ARG O unknown type. rad set to 1.9, chg 0
767 SER N unknown type. rad set to 1.9, chg 0
768 SER H unknown type. rad set to 1.9, chg 0
772 SER HG unknown type. rad set to 1.9, chg 0
773 SER C unknown type. rad set to 1.9, chg 0
774 SER O unknown type. rad set to 1.9, chg 0
775 GLY N unknown type. rad set to 1.9, chg 0
776 GLY H unknown type. rad set to 1.9, chg 0
778 GLY C unknown type. rad set to 1.9, chg 0
779 GLY O unknown type. rad set to 1.9, chg 0
780 ASN N unknown type. rad set to 1.9, chg 0
781 ASN H unknown type. rad set to 1.9, chg 0
787 ASN 1HD2unknown type. rad set to 1.9, chg 0
788 ASN 2HD2unknown type. rad set to 1.9, chg 0
789 ASN C unknown type. rad set to 1.9, chg 0
790 ASN O unknown type. rad set to 1.9, chg 0
791 GLU N unknown type. rad set to 1.9, chg 0
792 GLU H unknown type. rad set to 1.9, chg 0
799 GLU C unknown type. rad set to 1.9, chg 0
800 GLU O unknown type. rad set to 1.9, chg 0
801 ASN N unknown type. rad set to 1.9, chg 0
802 ASN H unknown type. rad set to 1.9, chg 0
808 ASN 1HD2unknown type. rad set to 1.9, chg 0
809 ASN 2HD2unknown type. rad set to 1.9, chg 0
810 ASN C unknown type. rad set to 1.9, chg 0
811 ASN O unknown type. rad set to 1.9, chg 0
812 GLU N unknown type. rad set to 1.9, chg 0
813 GLU H unknown type. rad set to 1.9, chg 0
820 GLU C unknown type. rad set to 1.9, chg 0
821 GLU O unknown type. rad set to 1.9, chg 0
822 PHE N unknown type. rad set to 1.9, chg 0
823 PHE H unknown type. rad set to 1.9, chg 0
828 PHE HD1unknown type. rad set to 1.9, chg 0
830 PHE HD2unknown type. rad set to 1.9, chg 0
832 PHE HE1unknown type. rad set to 1.9, chg 0
834 PHE HE2unknown type. rad set to 1.9, chg 0
836 PHE HZ unknown type. rad set to 1.9, chg 0
837 PHE C unknown type. rad set to 1.9, chg 0
838 PHE O unknown type. rad set to 1.9, chg 0
839 ARG N unknown type. rad set to 1.9, chg 0
840 ARG H unknown type. rad set to 1.9, chg 0
846 ARG HE unknown type. rad set to 1.9, chg 0
849 ARG 1HH1unknown type. rad set to 1.9, chg 0
850 ARG 2HH1unknown type. rad set to 1.9, chg 0
852 ARG 1HH2unknown type. rad set to 1.9, chg 0
853 ARG 2HH2unknown type. rad set to 1.9, chg 0
854 ARG C unknown type. rad set to 1.9, chg 0
855 ARG O unknown type. rad set to 1.9, chg 0
856 ASP N unknown type. rad set to 1.9, chg 0
857 ASP H unknown type. rad set to 1.9, chg 0
863 ASP C unknown type. rad set to 1.9, chg 0
864 ASP O unknown type. rad set to 1.9, chg 0
865 MET N unknown type. rad set to 1.9, chg 0
866 MET H unknown type. rad set to 1.9, chg 0
872 MET C unknown type. rad set to 1.9, chg 0
873 MET O unknown type. rad set to 1.9, chg 0
874 VAL N unknown type. rad set to 1.9, chg 0
875 VAL H unknown type. rad set to 1.9, chg 0
880 VAL C unknown type. rad set to 1.9, chg 0
881 VAL O unknown type. rad set to 1.9, chg 0
882 THR N unknown type. rad set to 1.9, chg 0
883 THR H unknown type. rad set to 1.9, chg 0
887 THR HG1unknown type. rad set to 1.9, chg 0
889 THR C unknown type. rad set to 1.9, chg 0
890 THR O unknown type. rad set to 1.9, chg 0
891 ARG N unknown type. rad set to 1.9, chg 0
892 ARG H unknown type. rad set to 1.9, chg 0
898 ARG HE unknown type. rad set to 1.9, chg 0
901 ARG 1HH1unknown type. rad set to 1.9, chg 0
902 ARG 2HH1unknown type. rad set to 1.9, chg 0
904 ARG 1HH2unknown type. rad set to 1.9, chg 0
905 ARG 2HH2unknown type. rad set to 1.9, chg 0
906 ARG C unknown type. rad set to 1.9, chg 0
907 ARG O unknown type. rad set to 1.9, chg 0
908 CYS N unknown type. rad set to 1.9, chg 0
909 CYS H unknown type. rad set to 1.9, chg 0
913 CYS C unknown type. rad set to 1.9, chg 0
914 CYS O unknown type. rad set to 1.9, chg 0
915 ASN N unknown type. rad set to 1.9, chg 0
916 ASN H unknown type. rad set to 1.9, chg 0
922 ASN 1HD2unknown type. rad set to 1.9, chg 0
923 ASN 2HD2unknown type. rad set to 1.9, chg 0
924 ASN C unknown type. rad set to 1.9, chg 0
925 ASN O unknown type. rad set to 1.9, chg 0
926 ASN N unknown type. rad set to 1.9, chg 0
927 ASN H unknown type. rad set to 1.9, chg 0
933 ASN 1HD2unknown type. rad set to 1.9, chg 0
934 ASN 2HD2unknown type. rad set to 1.9, chg 0
935 ASN C unknown type. rad set to 1.9, chg 0
936 ASN O unknown type. rad set to 1.9, chg 0
937 VAL N unknown type. rad set to 1.9, chg 0
938 VAL H unknown type. rad set to 1.9, chg 0
943 VAL C unknown type. rad set to 1.9, chg 0
944 VAL O unknown type. rad set to 1.9, chg 0
945 GLY N unknown type. rad set to 1.9, chg 0
946 GLY H unknown type. rad set to 1.9, chg 0
948 GLY C unknown type. rad set to 1.9, chg 0
949 GLY O unknown type. rad set to 1.9, chg 0
950 VAL N unknown type. rad set to 1.9, chg 0
951 VAL H unknown type. rad set to 1.9, chg 0
956 VAL C unknown type. rad set to 1.9, chg 0
957 VAL O unknown type. rad set to 1.9, chg 0
958 ARG N unknown type. rad set to 1.9, chg 0
959 ARG H unknown type. rad set to 1.9, chg 0
965 ARG HE unknown type. rad set to 1.9, chg 0
968 ARG 1HH1unknown type. rad set to 1.9, chg 0
969 ARG 2HH1unknown type. rad set to 1.9, chg 0
971 ARG 1HH2unknown type. rad set to 1.9, chg 0
972 ARG 2HH2unknown type. rad set to 1.9, chg 0
973 ARG C unknown type. rad set to 1.9, chg 0
974 ARG O unknown type. rad set to 1.9, chg 0
975 ILE N unknown type. rad set to 1.9, chg 0
976 ILE H unknown type. rad set to 1.9, chg 0
981 ILE CD unknown type. rad set to 1.9, chg 0
982 ILE C unknown type. rad set to 1.9, chg 0
983 ILE O unknown type. rad set to 1.9, chg 0
984 TYR N unknown type. rad set to 1.9, chg 0
985 TYR H unknown type. rad set to 1.9, chg 0
990 TYR HD1unknown type. rad set to 1.9, chg 0
992 TYR HD2unknown type. rad set to 1.9, chg 0
994 TYR HE1unknown type. rad set to 1.9, chg 0
996 TYR HE2unknown type. rad set to 1.9, chg 0
999 TYR HH unknown type. rad set to 1.9, chg 0
1000 TYR C unknown type. rad set to 1.9, chg 0
1001 TYR O unknown type. rad set to 1.9, chg 0
1002 VAL N unknown type. rad set to 1.9, chg 0
1003 VAL H unknown type. rad set to 1.9, chg 0
1008 VAL C unknown type. rad set to 1.9, chg 0
1009 VAL O unknown type. rad set to 1.9, chg 0
1010 ASP N unknown type. rad set to 1.9, chg 0
1011 ASP H unknown type. rad set to 1.9, chg 0
1017 ASP C unknown type. rad set to 1.9, chg 0
1018 ASP O unknown type. rad set to 1.9, chg 0
1019 ALA N unknown type. rad set to 1.9, chg 0
1020 ALA H unknown type. rad set to 1.9, chg 0
1023 ALA C unknown type. rad set to 1.9, chg 0
1024 ALA O unknown type. rad set to 1.9, chg 0
1025 VAL N unknown type. rad set to 1.9, chg 0
1026 VAL H unknown type. rad set to 1.9, chg 0
1031 VAL C unknown type. rad set to 1.9, chg 0
1032 VAL O unknown type. rad set to 1.9, chg 0
1033 ILE N unknown type. rad set to 1.9, chg 0
1034 ILE H unknown type. rad set to 1.9, chg 0
1039 ILE CD unknown type. rad set to 1.9, chg 0
1040 ILE C unknown type. rad set to 1.9, chg 0
1041 ILE O unknown type. rad set to 1.9, chg 0
1042 ASN N unknown type. rad set to 1.9, chg 0
1043 ASN H unknown type. rad set to 1.9, chg 0
1049 ASN 1HD2unknown type. rad set to 1.9, chg 0
1050 ASN 2HD2unknown type. rad set to 1.9, chg 0
1051 ASN C unknown type. rad set to 1.9, chg 0
1052 ASN O unknown type. rad set to 1.9, chg 0
1053 HIS N unknown type. rad set to 1.9, chg 0
1054 HIS H unknown type. rad set to 1.9, chg 0
1062 HIS HE2unknown type. rad set to 1.9, chg 0
1063 HIS C unknown type. rad set to 1.9, chg 0
1064 HIS O unknown type. rad set to 1.9, chg 0
1065 MET N unknown type. rad set to 1.9, chg 0
1066 MET H unknown type. rad set to 1.9, chg 0
1072 MET C unknown type. rad set to 1.9, chg 0
1073 MET O unknown type. rad set to 1.9, chg 0
1074 CYS N unknown type. rad set to 1.9, chg 0
1075 CYS H unknown type. rad set to 1.9, chg 0
1079 CYS HG unknown type. rad set to 1.9, chg 0
1080 CYS C unknown type. rad set to 1.9, chg 0
1081 CYS O unknown type. rad set to 1.9, chg 0
1082 GLY N unknown type. rad set to 1.9, chg 0
1083 GLY H unknown type. rad set to 1.9, chg 0
1085 GLY C unknown type. rad set to 1.9, chg 0
1086 GLY O unknown type. rad set to 1.9, chg 0
1087 SER N unknown type. rad set to 1.9, chg 0
1088 SER H unknown type. rad set to 1.9, chg 0
1092 SER HG unknown type. rad set to 1.9, chg 0
1093 SER C unknown type. rad set to 1.9, chg 0
1094 SER O unknown type. rad set to 1.9, chg 0
1095 GLY N unknown type. rad set to 1.9, chg 0
1096 GLY H unknown type. rad set to 1.9, chg 0
1098 GLY C unknown type. rad set to 1.9, chg 0
1099 GLY O unknown type. rad set to 1.9, chg 0
1100 ALA N unknown type. rad set to 1.9, chg 0
1101 ALA H unknown type. rad set to 1.9, chg 0
1104 ALA C unknown type. rad set to 1.9, chg 0
1105 ALA O unknown type. rad set to 1.9, chg 0
1106 ALA N unknown type. rad set to 1.9, chg 0
1107 ALA H unknown type. rad set to 1.9, chg 0
1110 ALA C unknown type. rad set to 1.9, chg 0
1111 ALA O unknown type. rad set to 1.9, chg 0
1112 ALA N unknown type. rad set to 1.9, chg 0
1113 ALA H unknown type. rad set to 1.9, chg 0
1116 ALA C unknown type. rad set to 1.9, chg 0
1117 ALA O unknown type. rad set to 1.9, chg 0
1118 GLY N unknown type. rad set to 1.9, chg 0
1119 GLY H unknown type. rad set to 1.9, chg 0
1121 GLY C unknown type. rad set to 1.9, chg 0
1122 GLY O unknown type. rad set to 1.9, chg 0
1123 THR N unknown type. rad set to 1.9, chg 0
1124 THR H unknown type. rad set to 1.9, chg 0
1128 THR HG1unknown type. rad set to 1.9, chg 0
1130 THR C unknown type. rad set to 1.9, chg 0
1131 THR O unknown type. rad set to 1.9, chg 0
1132 GLY N unknown type. rad set to 1.9, chg 0
1133 GLY H unknown type. rad set to 1.9, chg 0
1135 GLY C unknown type. rad set to 1.9, chg 0
1136 GLY O unknown type. rad set to 1.9, chg 0
1137 THR N unknown type. rad set to 1.9, chg 0
1138 THR H unknown type. rad set to 1.9, chg 0
1142 THR HG1unknown type. rad set to 1.9, chg 0
1144 THR C unknown type. rad set to 1.9, chg 0
1145 THR O unknown type. rad set to 1.9, chg 0
1146 THR N unknown type. rad set to 1.9, chg 0
1147 THR H unknown type. rad set to 1.9, chg 0
1151 THR HG1unknown type. rad set to 1.9, chg 0
1153 THR C unknown type. rad set to 1.9, chg 0
1154 THR O unknown type. rad set to 1.9, chg 0
1155 CYS N unknown type. rad set to 1.9, chg 0
1156 CYS H unknown type. rad set to 1.9, chg 0
1160 CYS C unknown type. rad set to 1.9, chg 0
1161 CYS O unknown type. rad set to 1.9, chg 0
1162 GLY N unknown type. rad set to 1.9, chg 0
1163 GLY H unknown type. rad set to 1.9, chg 0
1165 GLY C unknown type. rad set to 1.9, chg 0
1166 GLY O unknown type. rad set to 1.9, chg 0
1167 SER N unknown type. rad set to 1.9, chg 0
1168 SER H unknown type. rad set to 1.9, chg 0
1172 SER HG unknown type. rad set to 1.9, chg 0
1173 SER C unknown type. rad set to 1.9, chg 0
1174 SER O unknown type. rad set to 1.9, chg 0
1175 TYR N unknown type. rad set to 1.9, chg 0
1176 TYR H unknown type. rad set to 1.9, chg 0
1181 TYR HD1unknown type. rad set to 1.9, chg 0
1183 TYR HD2unknown type. rad set to 1.9, chg 0
1185 TYR HE1unknown type. rad set to 1.9, chg 0
1187 TYR HE2unknown type. rad set to 1.9, chg 0
1190 TYR HH unknown type. rad set to 1.9, chg 0
1191 TYR C unknown type. rad set to 1.9, chg 0
1192 TYR O unknown type. rad set to 1.9, chg 0
1193 CYS N unknown type. rad set to 1.9, chg 0
1194 CYS H unknown type. rad set to 1.9, chg 0
1198 CYS HG unknown type. rad set to 1.9, chg 0
1199 CYS C unknown type. rad set to 1.9, chg 0
1200 CYS O unknown type. rad set to 1.9, chg 0
1201 ASN N unknown type. rad set to 1.9, chg 0
1202 ASN H unknown type. rad set to 1.9, chg 0
1208 ASN 1HD2unknown type. rad set to 1.9, chg 0
1209 ASN 2HD2unknown type. rad set to 1.9, chg 0
1210 ASN C unknown type. rad set to 1.9, chg 0
1211 ASN O unknown type. rad set to 1.9, chg 0
1212 PRO N unknown type. rad set to 1.9, chg 0
1217 PRO C unknown type. rad set to 1.9, chg 0
1218 PRO O unknown type. rad set to 1.9, chg 0
1219 GLY N unknown type. rad set to 1.9, chg 0
1220 GLY H unknown type. rad set to 1.9, chg 0
1222 GLY C unknown type. rad set to 1.9, chg 0
1223 GLY O unknown type. rad set to 1.9, chg 0
1224 SER N unknown type. rad set to 1.9, chg 0
1225 SER H unknown type. rad set to 1.9, chg 0
1229 SER HG unknown type. rad set to 1.9, chg 0
1230 SER C unknown type. rad set to 1.9, chg 0
1231 SER O unknown type. rad set to 1.9, chg 0
1232 ARG N unknown type. rad set to 1.9, chg 0
1233 ARG H unknown type. rad set to 1.9, chg 0
1239 ARG HE unknown type. rad set to 1.9, chg 0
1242 ARG 1HH1unknown type. rad set to 1.9, chg 0
1243 ARG 2HH1unknown type. rad set to 1.9, chg 0
1245 ARG 1HH2unknown type. rad set to 1.9, chg 0
1246 ARG 2HH2unknown type. rad set to 1.9, chg 0
1247 ARG C unknown type. rad set to 1.9, chg 0
1248 ARG O unknown type. rad set to 1.9, chg 0
1249 GLU N unknown type. rad set to 1.9, chg 0
1250 GLU H unknown type. rad set to 1.9, chg 0
1257 GLU C unknown type. rad set to 1.9, chg 0
1258 GLU O unknown type. rad set to 1.9, chg 0
1259 PHE N unknown type. rad set to 1.9, chg 0
1260 PHE H unknown type. rad set to 1.9, chg 0
1265 PHE HD1unknown type. rad set to 1.9, chg 0
1267 PHE HD2unknown type. rad set to 1.9, chg 0
1269 PHE HE1unknown type. rad set to 1.9, chg 0
1271 PHE HE2unknown type. rad set to 1.9, chg 0
1273 PHE HZ unknown type. rad set to 1.9, chg 0
1274 PHE C unknown type. rad set to 1.9, chg 0
1275 PHE O unknown type. rad set to 1.9, chg 0
1276 PRO N unknown type. rad set to 1.9, chg 0
1281 PRO C unknown type. rad set to 1.9, chg 0
1282 PRO O unknown type. rad set to 1.9, chg 0
1283 ALA N unknown type. rad set to 1.9, chg 0
1284 ALA H unknown type. rad set to 1.9, chg 0
1287 ALA C unknown type. rad set to 1.9, chg 0
1288 ALA O unknown type. rad set to 1.9, chg 0
1289 VAL N unknown type. rad set to 1.9, chg 0
1290 VAL H unknown type. rad set to 1.9, chg 0
1295 VAL C unknown type. rad set to 1.9, chg 0
1296 VAL O unknown type. rad set to 1.9, chg 0
1297 PRO N unknown type. rad set to 1.9, chg 0
1302 PRO C unknown type. rad set to 1.9, chg 0
1303 PRO O unknown type. rad set to 1.9, chg 0
1304 TYR N unknown type. rad set to 1.9, chg 0
1305 TYR H unknown type. rad set to 1.9, chg 0
1310 TYR HD1unknown type. rad set to 1.9, chg 0
1312 TYR HD2unknown type. rad set to 1.9, chg 0
1314 TYR HE1unknown type. rad set to 1.9, chg 0
1316 TYR HE2unknown type. rad set to 1.9, chg 0
1319 TYR HH unknown type. rad set to 1.9, chg 0
1320 TYR C unknown type. rad set to 1.9, chg 0
1321 TYR O unknown type. rad set to 1.9, chg 0
1322 SER N unknown type. rad set to 1.9, chg 0
1323 SER H unknown type. rad set to 1.9, chg 0
1327 SER HG unknown type. rad set to 1.9, chg 0
1328 SER C unknown type. rad set to 1.9, chg 0
1329 SER O unknown type. rad set to 1.9, chg 0
1330 ALA N unknown type. rad set to 1.9, chg 0
1331 ALA H unknown type. rad set to 1.9, chg 0
1334 ALA C unknown type. rad set to 1.9, chg 0
1335 ALA O unknown type. rad set to 1.9, chg 0
1336 TRP N unknown type. rad set to 1.9, chg 0
1337 TRP H unknown type. rad set to 1.9, chg 0
1342 TRP HD1unknown type. rad set to 1.9, chg 0
1345 TRP HE1unknown type. rad set to 1.9, chg 0
1348 TRP HE3unknown type. rad set to 1.9, chg 0
1350 TRP HZ2unknown type. rad set to 1.9, chg 0
1352 TRP HZ3unknown type. rad set to 1.9, chg 0
1354 TRP HH2unknown type. rad set to 1.9, chg 0
1355 TRP C unknown type. rad set to 1.9, chg 0
1356 TRP O unknown type. rad set to 1.9, chg 0
1357 ASP N unknown type. rad set to 1.9, chg 0
1358 ASP H unknown type. rad set to 1.9, chg 0
1364 ASP C unknown type. rad set to 1.9, chg 0
1365 ASP O unknown type. rad set to 1.9, chg 0
1366 PHE N unknown type. rad set to 1.9, chg 0
1367 PHE H unknown type. rad set to 1.9, chg 0
1372 PHE HD1unknown type. rad set to 1.9, chg 0
1374 PHE HD2unknown type. rad set to 1.9, chg 0
1376 PHE HE1unknown type. rad set to 1.9, chg 0
1378 PHE HE2unknown type. rad set to 1.9, chg 0
1380 PHE HZ unknown type. rad set to 1.9, chg 0
1381 PHE C unknown type. rad set to 1.9, chg 0
1382 PHE O unknown type. rad set to 1.9, chg 0
1383 ASN N unknown type. rad set to 1.9, chg 0
1384 ASN H unknown type. rad set to 1.9, chg 0
1390 ASN 1HD2unknown type. rad set to 1.9, chg 0
1391 ASN 2HD2unknown type. rad set to 1.9, chg 0
1392 ASN C unknown type. rad set to 1.9, chg 0
1393 ASN O unknown type. rad set to 1.9, chg 0
1394 ASP N unknown type. rad set to 1.9, chg 0
1395 ASP H unknown type. rad set to 1.9, chg 0
1401 ASP C unknown type. rad set to 1.9, chg 0
1402 ASP O unknown type. rad set to 1.9, chg 0
1403 GLY N unknown type. rad set to 1.9, chg 0
1404 GLY H unknown type. rad set to 1.9, chg 0
1406 GLY C unknown type. rad set to 1.9, chg 0
1407 GLY O unknown type. rad set to 1.9, chg 0
1408 LYS N unknown type. rad set to 1.9, chg 0
1409 LYS H unknown type. rad set to 1.9, chg 0
1416 LYS HZ1unknown type. rad set to 1.9, chg 0
1417 LYS HZ2unknown type. rad set to 1.9, chg 0
1418 LYS HZ3unknown type. rad set to 1.9, chg 0
1419 LYS C unknown type. rad set to 1.9, chg 0
1420 LYS O unknown type. rad set to 1.9, chg 0
1421 CYS N unknown type. rad set to 1.9, chg 0
1422 CYS H unknown type. rad set to 1.9, chg 0
1426 CYS C unknown type. rad set to 1.9, chg 0
1427 CYS O unknown type. rad set to 1.9, chg 0
1428 LYS N unknown type. rad set to 1.9, chg 0
1429 LYS H unknown type. rad set to 1.9, chg 0
1436 LYS HZ1unknown type. rad set to 1.9, chg 0
1437 LYS HZ2unknown type. rad set to 1.9, chg 0
1438 LYS HZ3unknown type. rad set to 1.9, chg 0
1439 LYS C unknown type. rad set to 1.9, chg 0
1440 LYS O unknown type. rad set to 1.9, chg 0
1441 THR N unknown type. rad set to 1.9, chg 0
1442 THR H unknown type. rad set to 1.9, chg 0
1446 THR HG1unknown type. rad set to 1.9, chg 0
1448 THR C unknown type. rad set to 1.9, chg 0
1449 THR O unknown type. rad set to 1.9, chg 0
1450 ALA N unknown type. rad set to 1.9, chg 0
1451 ALA H unknown type. rad set to 1.9, chg 0
1454 ALA C unknown type. rad set to 1.9, chg 0
1455 ALA O unknown type. rad set to 1.9, chg 0
1456 SER N unknown type. rad set to 1.9, chg 0
1457 SER H unknown type. rad set to 1.9, chg 0
1461 SER HG unknown type. rad set to 1.9, chg 0
1462 SER C unknown type. rad set to 1.9, chg 0
1463 SER O unknown type. rad set to 1.9, chg 0
1464 GLY N unknown type. rad set to 1.9, chg 0
1465 GLY H unknown type. rad set to 1.9, chg 0
1467 GLY C unknown type. rad set to 1.9, chg 0
1468 GLY O unknown type. rad set to 1.9, chg 0
1469 GLY N unknown type. rad set to 1.9, chg 0
1470 GLY H unknown type. rad set to 1.9, chg 0
1472 GLY C unknown type. rad set to 1.9, chg 0
1473 GLY O unknown type. rad set to 1.9, chg 0
1474 ILE N unknown type. rad set to 1.9, chg 0
1475 ILE H unknown type. rad set to 1.9, chg 0
1480 ILE CD unknown type. rad set to 1.9, chg 0
1481 ILE C unknown type. rad set to 1.9, chg 0
1482 ILE O unknown type. rad set to 1.9, chg 0
1483 GLU N unknown type. rad set to 1.9, chg 0
1484 GLU H unknown type. rad set to 1.9, chg 0
1491 GLU C unknown type. rad set to 1.9, chg 0
1492 GLU O unknown type. rad set to 1.9, chg 0
1493 SER N unknown type. rad set to 1.9, chg 0
1494 SER H unknown type. rad set to 1.9, chg 0
1498 SER HG unknown type. rad set to 1.9, chg 0
1499 SER C unknown type. rad set to 1.9, chg 0
1500 SER O unknown type. rad set to 1.9, chg 0
1501 TYR N unknown type. rad set to 1.9, chg 0
1502 TYR H unknown type. rad set to 1.9, chg 0
1507 TYR HD1unknown type. rad set to 1.9, chg 0
1509 TYR HD2unknown type. rad set to 1.9, chg 0
1511 TYR HE1unknown type. rad set to 1.9, chg 0
1513 TYR HE2unknown type. rad set to 1.9, chg 0
1516 TYR HH unknown type. rad set to 1.9, chg 0
1517 TYR C unknown type. rad set to 1.9, chg 0
1518 TYR O unknown type. rad set to 1.9, chg 0
1519 ASN N unknown type. rad set to 1.9, chg 0
1520 ASN H unknown type. rad set to 1.9, chg 0
1526 ASN 1HD2unknown type. rad set to 1.9, chg 0
1527 ASN 2HD2unknown type. rad set to 1.9, chg 0
1528 ASN C unknown type. rad set to 1.9, chg 0
1529 ASN O unknown type. rad set to 1.9, chg 0
1530 ASP N unknown type. rad set to 1.9, chg 0
1531 ASP H unknown type. rad set to 1.9, chg 0
1537 ASP C unknown type. rad set to 1.9, chg 0
1538 ASP O unknown type. rad set to 1.9, chg 0
1539 PRO N unknown type. rad set to 1.9, chg 0
1544 PRO C unknown type. rad set to 1.9, chg 0
1545 PRO O unknown type. rad set to 1.9, chg 0
1546 TYR N unknown type. rad set to 1.9, chg 0
1547 TYR H unknown type. rad set to 1.9, chg 0
1552 TYR HD1unknown type. rad set to 1.9, chg 0
1554 TYR HD2unknown type. rad set to 1.9, chg 0
1556 TYR HE1unknown type. rad set to 1.9, chg 0
1558 TYR HE2unknown type. rad set to 1.9, chg 0
1561 TYR HH unknown type. rad set to 1.9, chg 0
1562 TYR C unknown type. rad set to 1.9, chg 0
1563 TYR O unknown type. rad set to 1.9, chg 0
1564 GLN N unknown type. rad set to 1.9, chg 0
1565 GLN H unknown type. rad set to 1.9, chg 0
1572 GLN 1HE2unknown type. rad set to 1.9, chg 0
1573 GLN 2HE2unknown type. rad set to 1.9, chg 0
1574 GLN C unknown type. rad set to 1.9, chg 0
1575 GLN O unknown type. rad set to 1.9, chg 0
1576 VAL N unknown type. rad set to 1.9, chg 0
1577 VAL H unknown type. rad set to 1.9, chg 0
1582 VAL C unknown type. rad set to 1.9, chg 0
1583 VAL O unknown type. rad set to 1.9, chg 0
1584 ARG N unknown type. rad set to 1.9, chg 0
1585 ARG H unknown type. rad set to 1.9, chg 0
1591 ARG HE unknown type. rad set to 1.9, chg 0
1594 ARG 1HH1unknown type. rad set to 1.9, chg 0
1595 ARG 2HH1unknown type. rad set to 1.9, chg 0
1597 ARG 1HH2unknown type. rad set to 1.9, chg 0
1598 ARG 2HH2unknown type. rad set to 1.9, chg 0
1599 ARG C unknown type. rad set to 1.9, chg 0
1600 ARG O unknown type. rad set to 1.9, chg 0
1601 ASP N unknown type. rad set to 1.9, chg 0
1602 ASP H unknown type. rad set to 1.9, chg 0
1608 ASP C unknown type. rad set to 1.9, chg 0
1609 ASP O unknown type. rad set to 1.9, chg 0
1610 CYS N unknown type. rad set to 1.9, chg 0
1611 CYS H unknown type. rad set to 1.9, chg 0
1615 CYS C unknown type. rad set to 1.9, chg 0
1616 CYS O unknown type. rad set to 1.9, chg 0
1617 GLN N unknown type. rad set to 1.9, chg 0
1618 GLN H unknown type. rad set to 1.9, chg 0
1625 GLN 1HE2unknown type. rad set to 1.9, chg 0
1626 GLN 2HE2unknown type. rad set to 1.9, chg 0
1627 GLN C unknown type. rad set to 1.9, chg 0
1628 GLN O unknown type. rad set to 1.9, chg 0
1629 LEU N unknown type. rad set to 1.9, chg 0
1630 LEU H unknown type. rad set to 1.9, chg 0
1636 LEU C unknown type. rad set to 1.9, chg 0
1637 LEU O unknown type. rad set to 1.9, chg 0
1638 VAL N unknown type. rad set to 1.9, chg 0
1639 VAL H unknown type. rad set to 1.9, chg 0
1644 VAL C unknown type. rad set to 1.9, chg 0
1645 VAL O unknown type. rad set to 1.9, chg 0
1646 GLY N unknown type. rad set to 1.9, chg 0
1647 GLY H unknown type. rad set to 1.9, chg 0
1649 GLY C unknown type. rad set to 1.9, chg 0
1650 GLY O unknown type. rad set to 1.9, chg 0
1651 LEU N unknown type. rad set to 1.9, chg 0
1652 LEU H unknown type. rad set to 1.9, chg 0
1658 LEU C unknown type. rad set to 1.9, chg 0
1659 LEU O unknown type. rad set to 1.9, chg 0
1660 LEU N unknown type. rad set to 1.9, chg 0
1661 LEU H unknown type. rad set to 1.9, chg 0
1667 LEU C unknown type. rad set to 1.9, chg 0
1668 LEU O unknown type. rad set to 1.9, chg 0
1669 ASP N unknown type. rad set to 1.9, chg 0
1670 ASP H unknown type. rad set to 1.9, chg 0
1676 ASP C unknown type. rad set to 1.9, chg 0
1677 ASP O unknown type. rad set to 1.9, chg 0
1678 LEU N unknown type. rad set to 1.9, chg 0
1679 LEU H unknown type. rad set to 1.9, chg 0
1685 LEU C unknown type. rad set to 1.9, chg 0
1686 LEU O unknown type. rad set to 1.9, chg 0
1687 ALA N unknown type. rad set to 1.9, chg 0
1688 ALA H unknown type. rad set to 1.9, chg 0
1691 ALA C unknown type. rad set to 1.9, chg 0
1692 ALA O unknown type. rad set to 1.9, chg 0
1693 LEU N unknown type. rad set to 1.9, chg 0
1694 LEU H unknown type. rad set to 1.9, chg 0
1700 LEU C unknown type. rad set to 1.9, chg 0
1701 LEU O unknown type. rad set to 1.9, chg 0
1702 GLU N unknown type. rad set to 1.9, chg 0
1703 GLU H unknown type. rad set to 1.9, chg 0
1710 GLU C unknown type. rad set to 1.9, chg 0
1711 GLU O unknown type. rad set to 1.9, chg 0
1712 LYS N unknown type. rad set to 1.9, chg 0
1713 LYS H unknown type. rad set to 1.9, chg 0
1720 LYS HZ1unknown type. rad set to 1.9, chg 0
1721 LYS HZ2unknown type. rad set to 1.9, chg 0
1722 LYS HZ3unknown type. rad set to 1.9, chg 0
1723 LYS C unknown type. rad set to 1.9, chg 0
1724 LYS O unknown type. rad set to 1.9, chg 0
1725 ASP N unknown type. rad set to 1.9, chg 0
1726 ASP H unknown type. rad set to 1.9, chg 0
1732 ASP C unknown type. rad set to 1.9, chg 0
1733 ASP O unknown type. rad set to 1.9, chg 0
1734 TYR N unknown type. rad set to 1.9, chg 0
1735 TYR H unknown type. rad set to 1.9, chg 0
1740 TYR HD1unknown type. rad set to 1.9, chg 0
1742 TYR HD2unknown type. rad set to 1.9, chg 0
1744 TYR HE1unknown type. rad set to 1.9, chg 0
1746 TYR HE2unknown type. rad set to 1.9, chg 0
1749 TYR HH unknown type. rad set to 1.9, chg 0
1750 TYR C unknown type. rad set to 1.9, chg 0
1751 TYR O unknown type. rad set to 1.9, chg 0
1752 VAL N unknown type. rad set to 1.9, chg 0
1753 VAL H unknown type. rad set to 1.9, chg 0
1758 VAL C unknown type. rad set to 1.9, chg 0
1759 VAL O unknown type. rad set to 1.9, chg 0
1760 ARG N unknown type. rad set to 1.9, chg 0
1761 ARG H unknown type. rad set to 1.9, chg 0
1767 ARG HE unknown type. rad set to 1.9, chg 0
1770 ARG 1HH1unknown type. rad set to 1.9, chg 0
1771 ARG 2HH1unknown type. rad set to 1.9, chg 0
1773 ARG 1HH2unknown type. rad set to 1.9, chg 0
1774 ARG 2HH2unknown type. rad set to 1.9, chg 0
1775 ARG C unknown type. rad set to 1.9, chg 0
1776 ARG O unknown type. rad set to 1.9, chg 0
1777 SER N unknown type. rad set to 1.9, chg 0
1778 SER H unknown type. rad set to 1.9, chg 0
1782 SER HG unknown type. rad set to 1.9, chg 0
1783 SER C unknown type. rad set to 1.9, chg 0
1784 SER O unknown type. rad set to 1.9, chg 0
1785 MET N unknown type. rad set to 1.9, chg 0
1786 MET H unknown type. rad set to 1.9, chg 0
1792 MET C unknown type. rad set to 1.9, chg 0
1793 MET O unknown type. rad set to 1.9, chg 0
1794 ILE N unknown type. rad set to 1.9, chg 0
1795 ILE H unknown type. rad set to 1.9, chg 0
1800 ILE CD unknown type. rad set to 1.9, chg 0
1801 ILE C unknown type. rad set to 1.9, chg 0
1802 ILE O unknown type. rad set to 1.9, chg 0
1803 ALA N unknown type. rad set to 1.9, chg 0
1804 ALA H unknown type. rad set to 1.9, chg 0
1807 ALA C unknown type. rad set to 1.9, chg 0
1808 ALA O unknown type. rad set to 1.9, chg 0
1809 ASP N unknown type. rad set to 1.9, chg 0
1810 ASP H unknown type. rad set to 1.9, chg 0
1816 ASP C unknown type. rad set to 1.9, chg 0
1817 ASP O unknown type. rad set to 1.9, chg 0
1818 TYR N unknown type. rad set to 1.9, chg 0
1819 TYR H unknown type. rad set to 1.9, chg 0
1824 TYR HD1unknown type. rad set to 1.9, chg 0
1826 TYR HD2unknown type. rad set to 1.9, chg 0
1828 TYR HE1unknown type. rad set to 1.9, chg 0
1830 TYR HE2unknown type. rad set to 1.9, chg 0
1833 TYR HH unknown type. rad set to 1.9, chg 0
1834 TYR C unknown type. rad set to 1.9, chg 0
1835 TYR O unknown type. rad set to 1.9, chg 0
1836 LEU N unknown type. rad set to 1.9, chg 0
1837 LEU H unknown type. rad set to 1.9, chg 0
1843 LEU C unknown type. rad set to 1.9, chg 0
1844 LEU O unknown type. rad set to 1.9, chg 0
1845 ASN N unknown type. rad set to 1.9, chg 0
1846 ASN H unknown type. rad set to 1.9, chg 0
1852 ASN 1HD2unknown type. rad set to 1.9, chg 0
1853 ASN 2HD2unknown type. rad set to 1.9, chg 0
1854 ASN C unknown type. rad set to 1.9, chg 0
1855 ASN O unknown type. rad set to 1.9, chg 0
1856 LYS N unknown type. rad set to 1.9, chg 0
1857 LYS H unknown type. rad set to 1.9, chg 0
1864 LYS HZ1unknown type. rad set to 1.9, chg 0
1865 LYS HZ2unknown type. rad set to 1.9, chg 0
1866 LYS HZ3unknown type. rad set to 1.9, chg 0
1867 LYS C unknown type. rad set to 1.9, chg 0
1868 LYS O unknown type. rad set to 1.9, chg 0
1869 LEU N unknown type. rad set to 1.9, chg 0
1870 LEU H unknown type. rad set to 1.9, chg 0
1876 LEU C unknown type. rad set to 1.9, chg 0
1877 LEU O unknown type. rad set to 1.9, chg 0
1878 ILE N unknown type. rad set to 1.9, chg 0
1879 ILE H unknown type. rad set to 1.9, chg 0
1884 ILE CD unknown type. rad set to 1.9, chg 0
1885 ILE C unknown type. rad set to 1.9, chg 0
1886 ILE O unknown type. rad set to 1.9, chg 0
1887 ASP N unknown type. rad set to 1.9, chg 0
1888 ASP H unknown type. rad set to 1.9, chg 0
1894 ASP C unknown type. rad set to 1.9, chg 0
1895 ASP O unknown type. rad set to 1.9, chg 0
1896 ILE N unknown type. rad set to 1.9, chg 0
1897 ILE H unknown type. rad set to 1.9, chg 0
1902 ILE CD unknown type. rad set to 1.9, chg 0
1903 ILE C unknown type. rad set to 1.9, chg 0
1904 ILE O unknown type. rad set to 1.9, chg 0
1905 GLY N unknown type. rad set to 1.9, chg 0
1906 GLY H unknown type. rad set to 1.9, chg 0
1908 GLY C unknown type. rad set to 1.9, chg 0
1909 GLY O unknown type. rad set to 1.9, chg 0
1910 VAL N unknown type. rad set to 1.9, chg 0
1911 VAL H unknown type. rad set to 1.9, chg 0
1916 VAL C unknown type. rad set to 1.9, chg 0
1917 VAL O unknown type. rad set to 1.9, chg 0
1918 ALA N unknown type. rad set to 1.9, chg 0
1919 ALA H unknown type. rad set to 1.9, chg 0
1922 ALA C unknown type. rad set to 1.9, chg 0
1923 ALA O unknown type. rad set to 1.9, chg 0
1924 GLY N unknown type. rad set to 1.9, chg 0
1925 GLY H unknown type. rad set to 1.9, chg 0
1927 GLY C unknown type. rad set to 1.9, chg 0
1928 GLY O unknown type. rad set to 1.9, chg 0
1929 PHE N unknown type. rad set to 1.9, chg 0
1930 PHE H unknown type. rad set to 1.9, chg 0
1935 PHE HD1unknown type. rad set to 1.9, chg 0
1937 PHE HD2unknown type. rad set to 1.9, chg 0
1939 PHE HE1unknown type. rad set to 1.9, chg 0
1941 PHE HE2unknown type. rad set to 1.9, chg 0
1943 PHE HZ unknown type. rad set to 1.9, chg 0
1944 PHE C unknown type. rad set to 1.9, chg 0
1945 PHE O unknown type. rad set to 1.9, chg 0
1946 ARG N unknown type. rad set to 1.9, chg 0
1947 ARG H unknown type. rad set to 1.9, chg 0
1953 ARG HE unknown type. rad set to 1.9, chg 0
1956 ARG 1HH1unknown type. rad set to 1.9, chg 0
1957 ARG 2HH1unknown type. rad set to 1.9, chg 0
1959 ARG 1HH2unknown type. rad set to 1.9, chg 0
1960 ARG 2HH2unknown type. rad set to 1.9, chg 0
1961 ARG C unknown type. rad set to 1.9, chg 0
1962 ARG O unknown type. rad set to 1.9, chg 0
1963 ILE N unknown type. rad set to 1.9, chg 0
1964 ILE H unknown type. rad set to 1.9, chg 0
1969 ILE CD unknown type. rad set to 1.9, chg 0
1970 ILE C unknown type. rad set to 1.9, chg 0
1971 ILE O unknown type. rad set to 1.9, chg 0
1972 ASP N unknown type. rad set to 1.9, chg 0
1973 ASP H unknown type. rad set to 1.9, chg 0
1979 ASP C unknown type. rad set to 1.9, chg 0
1980 ASP O unknown type. rad set to 1.9, chg 0
1981 ALA N unknown type. rad set to 1.9, chg 0
1982 ALA H unknown type. rad set to 1.9, chg 0
1985 ALA C unknown type. rad set to 1.9, chg 0
1986 ALA O unknown type. rad set to 1.9, chg 0
1987 SER N unknown type. rad set to 1.9, chg 0
1988 SER H unknown type. rad set to 1.9, chg 0
1992 SER HG unknown type. rad set to 1.9, chg 0
1993 SER C unknown type. rad set to 1.9, chg 0
1994 SER O unknown type. rad set to 1.9, chg 0
1995 LYS N unknown type. rad set to 1.9, chg 0
1996 LYS H unknown type. rad set to 1.9, chg 0
2003 LYS HZ1unknown type. rad set to 1.9, chg 0
2004 LYS HZ2unknown type. rad set to 1.9, chg 0
2005 LYS HZ3unknown type. rad set to 1.9, chg 0
2006 LYS C unknown type. rad set to 1.9, chg 0
2007 LYS O unknown type. rad set to 1.9, chg 0
2008 HIS N unknown type. rad set to 1.9, chg 0
2009 HIS H unknown type. rad set to 1.9, chg 0
2014 HIS HD1unknown type. rad set to 1.9, chg 0
2018 HIS C unknown type. rad set to 1.9, chg 0
2019 HIS O unknown type. rad set to 1.9, chg 0
2020 MET N unknown type. rad set to 1.9, chg 0
2021 MET H unknown type. rad set to 1.9, chg 0
2027 MET C unknown type. rad set to 1.9, chg 0
2028 MET O unknown type. rad set to 1.9, chg 0
2029 TRP N unknown type. rad set to 1.9, chg 0
2030 TRP H unknown type. rad set to 1.9, chg 0
2035 TRP HD1unknown type. rad set to 1.9, chg 0
2038 TRP HE1unknown type. rad set to 1.9, chg 0
2041 TRP HE3unknown type. rad set to 1.9, chg 0
2043 TRP HZ2unknown type. rad set to 1.9, chg 0
2045 TRP HZ3unknown type. rad set to 1.9, chg 0
2047 TRP HH2unknown type. rad set to 1.9, chg 0
2048 TRP C unknown type. rad set to 1.9, chg 0
2049 TRP O unknown type. rad set to 1.9, chg 0
2050 PRO N unknown type. rad set to 1.9, chg 0
2055 PRO C unknown type. rad set to 1.9, chg 0
2056 PRO O unknown type. rad set to 1.9, chg 0
2057 GLY N unknown type. rad set to 1.9, chg 0
2058 GLY H unknown type. rad set to 1.9, chg 0
2060 GLY C unknown type. rad set to 1.9, chg 0
2061 GLY O unknown type. rad set to 1.9, chg 0
2062 ASP N unknown type. rad set to 1.9, chg 0
2063 ASP H unknown type. rad set to 1.9, chg 0
2069 ASP C unknown type. rad set to 1.9, chg 0
2070 ASP O unknown type. rad set to 1.9, chg 0
2071 ILE N unknown type. rad set to 1.9, chg 0
2072 ILE H unknown type. rad set to 1.9, chg 0
2077 ILE CD unknown type. rad set to 1.9, chg 0
2078 ILE C unknown type. rad set to 1.9, chg 0
2079 ILE O unknown type. rad set to 1.9, chg 0
2080 LYS N unknown type. rad set to 1.9, chg 0
2081 LYS H unknown type. rad set to 1.9, chg 0
2088 LYS HZ1unknown type. rad set to 1.9, chg 0
2089 LYS HZ2unknown type. rad set to 1.9, chg 0
2090 LYS HZ3unknown type. rad set to 1.9, chg 0
2091 LYS C unknown type. rad set to 1.9, chg 0
2092 LYS O unknown type. rad set to 1.9, chg 0
2093 ALA N unknown type. rad set to 1.9, chg 0
2094 ALA H unknown type. rad set to 1.9, chg 0
2097 ALA C unknown type. rad set to 1.9, chg 0
2098 ALA O unknown type. rad set to 1.9, chg 0
2099 VAL N unknown type. rad set to 1.9, chg 0
2100 VAL H unknown type. rad set to 1.9, chg 0
2105 VAL C unknown type. rad set to 1.9, chg 0
2106 VAL O unknown type. rad set to 1.9, chg 0
2107 LEU N unknown type. rad set to 1.9, chg 0
2108 LEU H unknown type. rad set to 1.9, chg 0
2114 LEU C unknown type. rad set to 1.9, chg 0
2115 LEU O unknown type. rad set to 1.9, chg 0
2116 ASP N unknown type. rad set to 1.9, chg 0
2117 ASP H unknown type. rad set to 1.9, chg 0
2123 ASP C unknown type. rad set to 1.9, chg 0
2124 ASP O unknown type. rad set to 1.9, chg 0
2125 LYS N unknown type. rad set to 1.9, chg 0
2126 LYS H unknown type. rad set to 1.9, chg 0
2133 LYS HZ1unknown type. rad set to 1.9, chg 0
2134 LYS HZ2unknown type. rad set to 1.9, chg 0
2135 LYS HZ3unknown type. rad set to 1.9, chg 0
2136 LYS C unknown type. rad set to 1.9, chg 0
2137 LYS O unknown type. rad set to 1.9, chg 0
2138 LEU N unknown type. rad set to 1.9, chg 0
2139 LEU H unknown type. rad set to 1.9, chg 0
2145 LEU C unknown type. rad set to 1.9, chg 0
2146 LEU O unknown type. rad set to 1.9, chg 0
2147 HIS N unknown type. rad set to 1.9, chg 0
2148 HIS H unknown type. rad set to 1.9, chg 0
2153 HIS HD1unknown type. rad set to 1.9, chg 0
2157 HIS C unknown type. rad set to 1.9, chg 0
2158 HIS O unknown type. rad set to 1.9, chg 0
2159 ASN N unknown type. rad set to 1.9, chg 0
2160 ASN H unknown type. rad set to 1.9, chg 0
2166 ASN 1HD2unknown type. rad set to 1.9, chg 0
2167 ASN 2HD2unknown type. rad set to 1.9, chg 0
2168 ASN C unknown type. rad set to 1.9, chg 0
2169 ASN O unknown type. rad set to 1.9, chg 0
2170 LEU N unknown type. rad set to 1.9, chg 0
2171 LEU H unknown type. rad set to 1.9, chg 0
2177 LEU C unknown type. rad set to 1.9, chg 0
2178 LEU O unknown type. rad set to 1.9, chg 0
2179 ASN N unknown type. rad set to 1.9, chg 0
2180 ASN H unknown type. rad set to 1.9, chg 0
2186 ASN 1HD2unknown type. rad set to 1.9, chg 0
2187 ASN 2HD2unknown type. rad set to 1.9, chg 0
2188 ASN C unknown type. rad set to 1.9, chg 0
2189 ASN O unknown type. rad set to 1.9, chg 0
2190 THR N unknown type. rad set to 1.9, chg 0
2191 THR H unknown type. rad set to 1.9, chg 0
2195 THR HG1unknown type. rad set to 1.9, chg 0
2197 THR C unknown type. rad set to 1.9, chg 0
2198 THR O unknown type. rad set to 1.9, chg 0
2199 ASN N unknown type. rad set to 1.9, chg 0
2200 ASN H unknown type. rad set to 1.9, chg 0
2206 ASN 1HD2unknown type. rad set to 1.9, chg 0
2207 ASN 2HD2unknown type. rad set to 1.9, chg 0
2208 ASN C unknown type. rad set to 1.9, chg 0
2209 ASN O unknown type. rad set to 1.9, chg 0
2210 TRP N unknown type. rad set to 1.9, chg 0
2211 TRP H unknown type. rad set to 1.9, chg 0
2216 TRP HD1unknown type. rad set to 1.9, chg 0
2219 TRP HE1unknown type. rad set to 1.9, chg 0
2222 TRP HE3unknown type. rad set to 1.9, chg 0
2224 TRP HZ2unknown type. rad set to 1.9, chg 0
2226 TRP HZ3unknown type. rad set to 1.9, chg 0
2228 TRP HH2unknown type. rad set to 1.9, chg 0
2229 TRP C unknown type. rad set to 1.9, chg 0
2230 TRP O unknown type. rad set to 1.9, chg 0
2231 PHE N unknown type. rad set to 1.9, chg 0
2232 PHE H unknown type. rad set to 1.9, chg 0
2237 PHE HD1unknown type. rad set to 1.9, chg 0
2239 PHE HD2unknown type. rad set to 1.9, chg 0
2241 PHE HE1unknown type. rad set to 1.9, chg 0
2243 PHE HE2unknown type. rad set to 1.9, chg 0
2245 PHE HZ unknown type. rad set to 1.9, chg 0
2246 PHE C unknown type. rad set to 1.9, chg 0
2247 PHE O unknown type. rad set to 1.9, chg 0
2248 PRO N unknown type. rad set to 1.9, chg 0
2253 PRO C unknown type. rad set to 1.9, chg 0
2254 PRO O unknown type. rad set to 1.9, chg 0
2255 ALA N unknown type. rad set to 1.9, chg 0
2256 ALA H unknown type. rad set to 1.9, chg 0
2259 ALA C unknown type. rad set to 1.9, chg 0
2260 ALA O unknown type. rad set to 1.9, chg 0
2261 GLY N unknown type. rad set to 1.9, chg 0
2262 GLY H unknown type. rad set to 1.9, chg 0
2264 GLY C unknown type. rad set to 1.9, chg 0
2265 GLY O unknown type. rad set to 1.9, chg 0
2266 SER N unknown type. rad set to 1.9, chg 0
2267 SER H unknown type. rad set to 1.9, chg 0
2271 SER HG unknown type. rad set to 1.9, chg 0
2272 SER C unknown type. rad set to 1.9, chg 0
2273 SER O unknown type. rad set to 1.9, chg 0
2274 ARG N unknown type. rad set to 1.9, chg 0
2275 ARG H unknown type. rad set to 1.9, chg 0
2281 ARG HE unknown type. rad set to 1.9, chg 0
2284 ARG 1HH1unknown type. rad set to 1.9, chg 0
2285 ARG 2HH1unknown type. rad set to 1.9, chg 0
2287 ARG 1HH2unknown type. rad set to 1.9, chg 0
2288 ARG 2HH2unknown type. rad set to 1.9, chg 0
2289 ARG C unknown type. rad set to 1.9, chg 0
2290 ARG O unknown type. rad set to 1.9, chg 0
2291 PRO N unknown type. rad set to 1.9, chg 0
2296 PRO C unknown type. rad set to 1.9, chg 0
2297 PRO O unknown type. rad set to 1.9, chg 0
2298 PHE N unknown type. rad set to 1.9, chg 0
2299 PHE H unknown type. rad set to 1.9, chg 0
2304 PHE HD1unknown type. rad set to 1.9, chg 0
2306 PHE HD2unknown type. rad set to 1.9, chg 0
2308 PHE HE1unknown type. rad set to 1.9, chg 0
2310 PHE HE2unknown type. rad set to 1.9, chg 0
2312 PHE HZ unknown type. rad set to 1.9, chg 0
2313 PHE C unknown type. rad set to 1.9, chg 0
2314 PHE O unknown type. rad set to 1.9, chg 0
2315 ILE N unknown type. rad set to 1.9, chg 0
2316 ILE H unknown type. rad set to 1.9, chg 0
2321 ILE CD unknown type. rad set to 1.9, chg 0
2322 ILE C unknown type. rad set to 1.9, chg 0
2323 ILE O unknown type. rad set to 1.9, chg 0
2324 PHE N unknown type. rad set to 1.9, chg 0
2325 PHE H unknown type. rad set to 1.9, chg 0
2330 PHE HD1unknown type. rad set to 1.9, chg 0
2332 PHE HD2unknown type. rad set to 1.9, chg 0
2334 PHE HE1unknown type. rad set to 1.9, chg 0
2336 PHE HE2unknown type. rad set to 1.9, chg 0
2338 PHE HZ unknown type. rad set to 1.9, chg 0
2339 PHE C unknown type. rad set to 1.9, chg 0
2340 PHE O unknown type. rad set to 1.9, chg 0
2341 GLN N unknown type. rad set to 1.9, chg 0
2342 GLN H unknown type. rad set to 1.9, chg 0
2349 GLN 1HE2unknown type. rad set to 1.9, chg 0
2350 GLN 2HE2unknown type. rad set to 1.9, chg 0
2351 GLN C unknown type. rad set to 1.9, chg 0
2352 GLN O unknown type. rad set to 1.9, chg 0
2353 GLU N unknown type. rad set to 1.9, chg 0
2354 GLU H unknown type. rad set to 1.9, chg 0
2361 GLU C unknown type. rad set to 1.9, chg 0
2362 GLU O unknown type. rad set to 1.9, chg 0
2363 VAL N unknown type. rad set to 1.9, chg 0
2364 VAL H unknown type. rad set to 1.9, chg 0
2369 VAL C unknown type. rad set to 1.9, chg 0
2370 VAL O unknown type. rad set to 1.9, chg 0
2371 ILE N unknown type. rad set to 1.9, chg 0
2372 ILE H unknown type. rad set to 1.9, chg 0
2377 ILE CD unknown type. rad set to 1.9, chg 0
2378 ILE C unknown type. rad set to 1.9, chg 0
2379 ILE O unknown type. rad set to 1.9, chg 0
2380 ASP N unknown type. rad set to 1.9, chg 0
2381 ASP H unknown type. rad set to 1.9, chg 0
2387 ASP C unknown type. rad set to 1.9, chg 0
2388 ASP O unknown type. rad set to 1.9, chg 0
2389 LEU N unknown type. rad set to 1.9, chg 0
2390 LEU H unknown type. rad set to 1.9, chg 0
2396 LEU C unknown type. rad set to 1.9, chg 0
2397 LEU O unknown type. rad set to 1.9, chg 0
2398 GLY N unknown type. rad set to 1.9, chg 0
2399 GLY H unknown type. rad set to 1.9, chg 0
2401 GLY C unknown type. rad set to 1.9, chg 0
2402 GLY O unknown type. rad set to 1.9, chg 0
2403 GLY N unknown type. rad set to 1.9, chg 0
2404 GLY H unknown type. rad set to 1.9, chg 0
2406 GLY C unknown type. rad set to 1.9, chg 0
2407 GLY O unknown type. rad set to 1.9, chg 0
2408 GLU N unknown type. rad set to 1.9, chg 0
2409 GLU H unknown type. rad set to 1.9, chg 0
2416 GLU C unknown type. rad set to 1.9, chg 0
2417 GLU O unknown type. rad set to 1.9, chg 0
2418 ALA N unknown type. rad set to 1.9, chg 0
2419 ALA H unknown type. rad set to 1.9, chg 0
2422 ALA C unknown type. rad set to 1.9, chg 0
2423 ALA O unknown type. rad set to 1.9, chg 0
2424 ILE N unknown type. rad set to 1.9, chg 0
2425 ILE H unknown type. rad set to 1.9, chg 0
2430 ILE CD unknown type. rad set to 1.9, chg 0
2431 ILE C unknown type. rad set to 1.9, chg 0
2432 ILE O unknown type. rad set to 1.9, chg 0
2433 GLN N unknown type. rad set to 1.9, chg 0
2434 GLN H unknown type. rad set to 1.9, chg 0
2441 GLN 1HE2unknown type. rad set to 1.9, chg 0
2442 GLN 2HE2unknown type. rad set to 1.9, chg 0
2443 GLN C unknown type. rad set to 1.9, chg 0
2444 GLN O unknown type. rad set to 1.9, chg 0
2445 SER N unknown type. rad set to 1.9, chg 0
2446 SER H unknown type. rad set to 1.9, chg 0
2450 SER HG unknown type. rad set to 1.9, chg 0
2451 SER C unknown type. rad set to 1.9, chg 0
2452 SER O unknown type. rad set to 1.9, chg 0
2453 SER N unknown type. rad set to 1.9, chg 0
2454 SER H unknown type. rad set to 1.9, chg 0
2458 SER HG unknown type. rad set to 1.9, chg 0
2459 SER C unknown type. rad set to 1.9, chg 0
2460 SER O unknown type. rad set to 1.9, chg 0
2461 GLU N unknown type. rad set to 1.9, chg 0
2462 GLU H unknown type. rad set to 1.9, chg 0
2469 GLU C unknown type. rad set to 1.9, chg 0
2470 GLU O unknown type. rad set to 1.9, chg 0
2471 TYR N unknown type. rad set to 1.9, chg 0
2472 TYR H unknown type. rad set to 1.9, chg 0
2477 TYR HD1unknown type. rad set to 1.9, chg 0
2479 TYR HD2unknown type. rad set to 1.9, chg 0
2481 TYR HE1unknown type. rad set to 1.9, chg 0
2483 TYR HE2unknown type. rad set to 1.9, chg 0
2486 TYR HH unknown type. rad set to 1.9, chg 0
2487 TYR C unknown type. rad set to 1.9, chg 0
2488 TYR O unknown type. rad set to 1.9, chg 0
2489 PHE N unknown type. rad set to 1.9, chg 0
2490 PHE H unknown type. rad set to 1.9, chg 0
2495 PHE HD1unknown type. rad set to 1.9, chg 0
2497 PHE HD2unknown type. rad set to 1.9, chg 0
2499 PHE HE1unknown type. rad set to 1.9, chg 0
2501 PHE HE2unknown type. rad set to 1.9, chg 0
2503 PHE HZ unknown type. rad set to 1.9, chg 0
2504 PHE C unknown type. rad set to 1.9, chg 0
2505 PHE O unknown type. rad set to 1.9, chg 0
2506 GLY N unknown type. rad set to 1.9, chg 0
2507 GLY H unknown type. rad set to 1.9, chg 0
2509 GLY C unknown type. rad set to 1.9, chg 0
2510 GLY O unknown type. rad set to 1.9, chg 0
2511 ASN N unknown type. rad set to 1.9, chg 0
2512 ASN H unknown type. rad set to 1.9, chg 0
2518 ASN 1HD2unknown type. rad set to 1.9, chg 0
2519 ASN 2HD2unknown type. rad set to 1.9, chg 0
2520 ASN C unknown type. rad set to 1.9, chg 0
2521 ASN O unknown type. rad set to 1.9, chg 0
2522 GLY N unknown type. rad set to 1.9, chg 0
2523 GLY H unknown type. rad set to 1.9, chg 0
2525 GLY C unknown type. rad set to 1.9, chg 0
2526 GLY O unknown type. rad set to 1.9, chg 0
2527 ARG N unknown type. rad set to 1.9, chg 0
2528 ARG H unknown type. rad set to 1.9, chg 0
2534 ARG HE unknown type. rad set to 1.9, chg 0
2537 ARG 1HH1unknown type. rad set to 1.9, chg 0
2538 ARG 2HH1unknown type. rad set to 1.9, chg 0
2540 ARG 1HH2unknown type. rad set to 1.9, chg 0
2541 ARG 2HH2unknown type. rad set to 1.9, chg 0
2542 ARG C unknown type. rad set to 1.9, chg 0
2543 ARG O unknown type. rad set to 1.9, chg 0
2544 VAL N unknown type. rad set to 1.9, chg 0
2545 VAL H unknown type. rad set to 1.9, chg 0
2550 VAL C unknown type. rad set to 1.9, chg 0
2551 VAL O unknown type. rad set to 1.9, chg 0
2552 THR N unknown type. rad set to 1.9, chg 0
2553 THR H unknown type. rad set to 1.9, chg 0
2557 THR HG1unknown type. rad set to 1.9, chg 0
2559 THR C unknown type. rad set to 1.9, chg 0
2560 THR O unknown type. rad set to 1.9, chg 0
2561 GLU N unknown type. rad set to 1.9, chg 0
2562 GLU H unknown type. rad set to 1.9, chg 0
2569 GLU C unknown type. rad set to 1.9, chg 0
2570 GLU O unknown type. rad set to 1.9, chg 0
2571 PHE N unknown type. rad set to 1.9, chg 0
2572 PHE H unknown type. rad set to 1.9, chg 0
2577 PHE HD1unknown type. rad set to 1.9, chg 0
2579 PHE HD2unknown type. rad set to 1.9, chg 0
2581 PHE HE1unknown type. rad set to 1.9, chg 0
2583 PHE HE2unknown type. rad set to 1.9, chg 0
2585 PHE HZ unknown type. rad set to 1.9, chg 0
2586 PHE C unknown type. rad set to 1.9, chg 0
2587 PHE O unknown type. rad set to 1.9, chg 0
2588 LYS N unknown type. rad set to 1.9, chg 0
2589 LYS H unknown type. rad set to 1.9, chg 0
2596 LYS HZ1unknown type. rad set to 1.9, chg 0
2597 LYS HZ2unknown type. rad set to 1.9, chg 0
2598 LYS HZ3unknown type. rad set to 1.9, chg 0
2599 LYS C unknown type. rad set to 1.9, chg 0
2600 LYS O unknown type. rad set to 1.9, chg 0
2601 TYR N unknown type. rad set to 1.9, chg 0
2602 TYR H unknown type. rad set to 1.9, chg 0
2607 TYR HD1unknown type. rad set to 1.9, chg 0
2609 TYR HD2unknown type. rad set to 1.9, chg 0
2611 TYR HE1unknown type. rad set to 1.9, chg 0
2613 TYR HE2unknown type. rad set to 1.9, chg 0
2616 TYR HH unknown type. rad set to 1.9, chg 0
2617 TYR C unknown type. rad set to 1.9, chg 0
2618 TYR O unknown type. rad set to 1.9, chg 0
2619 GLY N unknown type. rad set to 1.9, chg 0
2620 GLY H unknown type. rad set to 1.9, chg 0
2622 GLY C unknown type. rad set to 1.9, chg 0
2623 GLY O unknown type. rad set to 1.9, chg 0
2624 ALA N unknown type. rad set to 1.9, chg 0
2625 ALA H unknown type. rad set to 1.9, chg 0
2628 ALA C unknown type. rad set to 1.9, chg 0
2629 ALA O unknown type. rad set to 1.9, chg 0
2630 LYS N unknown type. rad set to 1.9, chg 0
2631 LYS H unknown type. rad set to 1.9, chg 0
2638 LYS HZ1unknown type. rad set to 1.9, chg 0
2639 LYS HZ2unknown type. rad set to 1.9, chg 0
2640 LYS HZ3unknown type. rad set to 1.9, chg 0
2641 LYS C unknown type. rad set to 1.9, chg 0
2642 LYS O unknown type. rad set to 1.9, chg 0
2643 LEU N unknown type. rad set to 1.9, chg 0
2644 LEU H unknown type. rad set to 1.9, chg 0
2650 LEU C unknown type. rad set to 1.9, chg 0
2651 LEU O unknown type. rad set to 1.9, chg 0
2652 GLY N unknown type. rad set to 1.9, chg 0
2653 GLY H unknown type. rad set to 1.9, chg 0
2655 GLY C unknown type. rad set to 1.9, chg 0
2656 GLY O unknown type. rad set to 1.9, chg 0
2657 THR N unknown type. rad set to 1.9, chg 0
2658 THR H unknown type. rad set to 1.9, chg 0
2662 THR HG1unknown type. rad set to 1.9, chg 0
2664 THR C unknown type. rad set to 1.9, chg 0
2665 THR O unknown type. rad set to 1.9, chg 0
2666 VAL N unknown type. rad set to 1.9, chg 0
2667 VAL H unknown type. rad set to 1.9, chg 0
2672 VAL C unknown type. rad set to 1.9, chg 0
2673 VAL O unknown type. rad set to 1.9, chg 0
2674 VAL N unknown type. rad set to 1.9, chg 0
2675 VAL H unknown type. rad set to 1.9, chg 0
2680 VAL C unknown type. rad set to 1.9, chg 0
2681 VAL O unknown type. rad set to 1.9, chg 0
2682 ARG N unknown type. rad set to 1.9, chg 0
2683 ARG H unknown type. rad set to 1.9, chg 0
2689 ARG HE unknown type. rad set to 1.9, chg 0
2692 ARG 1HH1unknown type. rad set to 1.9, chg 0
2693 ARG 2HH1unknown type. rad set to 1.9, chg 0
2695 ARG 1HH2unknown type. rad set to 1.9, chg 0
2696 ARG 2HH2unknown type. rad set to 1.9, chg 0
2697 ARG C unknown type. rad set to 1.9, chg 0
2698 ARG O unknown type. rad set to 1.9, chg 0
2699 LYS N unknown type. rad set to 1.9, chg 0
2700 LYS H unknown type. rad set to 1.9, chg 0
2707 LYS HZ1unknown type. rad set to 1.9, chg 0
2708 LYS HZ2unknown type. rad set to 1.9, chg 0
2709 LYS HZ3unknown type. rad set to 1.9, chg 0
2710 LYS C unknown type. rad set to 1.9, chg 0
2711 LYS O unknown type. rad set to 1.9, chg 0
2712 TRP N unknown type. rad set to 1.9, chg 0
2713 TRP H unknown type. rad set to 1.9, chg 0
2718 TRP HD1unknown type. rad set to 1.9, chg 0
2721 TRP HE1unknown type. rad set to 1.9, chg 0
2724 TRP HE3unknown type. rad set to 1.9, chg 0
2726 TRP HZ2unknown type. rad set to 1.9, chg 0
2728 TRP HZ3unknown type. rad set to 1.9, chg 0
2730 TRP HH2unknown type. rad set to 1.9, chg 0
2731 TRP C unknown type. rad set to 1.9, chg 0
2732 TRP O unknown type. rad set to 1.9, chg 0
2733 SER N unknown type. rad set to 1.9, chg 0
2734 SER H unknown type. rad set to 1.9, chg 0
2738 SER HG unknown type. rad set to 1.9, chg 0
2739 SER C unknown type. rad set to 1.9, chg 0
2740 SER O unknown type. rad set to 1.9, chg 0
2741 GLY N unknown type. rad set to 1.9, chg 0
2742 GLY H unknown type. rad set to 1.9, chg 0
2744 GLY C unknown type. rad set to 1.9, chg 0
2745 GLY O unknown type. rad set to 1.9, chg 0
2746 GLU N unknown type. rad set to 1.9, chg 0
2747 GLU H unknown type. rad set to 1.9, chg 0
2754 GLU C unknown type. rad set to 1.9, chg 0
2755 GLU O unknown type. rad set to 1.9, chg 0
2756 LYS N unknown type. rad set to 1.9, chg 0
2757 LYS H unknown type. rad set to 1.9, chg 0
2764 LYS HZ1unknown type. rad set to 1.9, chg 0
2765 LYS HZ2unknown type. rad set to 1.9, chg 0
2766 LYS HZ3unknown type. rad set to 1.9, chg 0
2767 LYS C unknown type. rad set to 1.9, chg 0
2768 LYS O unknown type. rad set to 1.9, chg 0
2769 MET N unknown type. rad set to 1.9, chg 0
2770 MET H unknown type. rad set to 1.9, chg 0
2776 MET C unknown type. rad set to 1.9, chg 0
2777 MET O unknown type. rad set to 1.9, chg 0
2778 SER N unknown type. rad set to 1.9, chg 0
2779 SER H unknown type. rad set to 1.9, chg 0
2783 SER HG unknown type. rad set to 1.9, chg 0
2784 SER C unknown type. rad set to 1.9, chg 0
2785 SER O unknown type. rad set to 1.9, chg 0
2786 TYR N unknown type. rad set to 1.9, chg 0
2787 TYR H unknown type. rad set to 1.9, chg 0
2792 TYR HD1unknown type. rad set to 1.9, chg 0
2794 TYR HD2unknown type. rad set to 1.9, chg 0
2796 TYR HE1unknown type. rad set to 1.9, chg 0
2798 TYR HE2unknown type. rad set to 1.9, chg 0
2801 TYR HH unknown type. rad set to 1.9, chg 0
2802 TYR C unknown type. rad set to 1.9, chg 0
2803 TYR O unknown type. rad set to 1.9, chg 0
2804 LEU N unknown type. rad set to 1.9, chg 0
2805 LEU H unknown type. rad set to 1.9, chg 0
2811 LEU C unknown type. rad set to 1.9, chg 0
2812 LEU O unknown type. rad set to 1.9, chg 0
2813 LYS N unknown type. rad set to 1.9, chg 0
2814 LYS H unknown type. rad set to 1.9, chg 0
2821 LYS HZ1unknown type. rad set to 1.9, chg 0
2822 LYS HZ2unknown type. rad set to 1.9, chg 0
2823 LYS HZ3unknown type. rad set to 1.9, chg 0
2824 LYS C unknown type. rad set to 1.9, chg 0
2825 LYS O unknown type. rad set to 1.9, chg 0
2826 ASN N unknown type. rad set to 1.9, chg 0
2827 ASN H unknown type. rad set to 1.9, chg 0
2833 ASN 1HD2unknown type. rad set to 1.9, chg 0
2834 ASN 2HD2unknown type. rad set to 1.9, chg 0
2835 ASN C unknown type. rad set to 1.9, chg 0
2836 ASN O unknown type. rad set to 1.9, chg 0
2837 TRP N unknown type. rad set to 1.9, chg 0
2838 TRP H unknown type. rad set to 1.9, chg 0
2843 TRP HD1unknown type. rad set to 1.9, chg 0
2846 TRP HE1unknown type. rad set to 1.9, chg 0
2849 TRP HE3unknown type. rad set to 1.9, chg 0
2851 TRP HZ2unknown type. rad set to 1.9, chg 0
2853 TRP HZ3unknown type. rad set to 1.9, chg 0
2855 TRP HH2unknown type. rad set to 1.9, chg 0
2856 TRP C unknown type. rad set to 1.9, chg 0
2857 TRP O unknown type. rad set to 1.9, chg 0
2858 GLY N unknown type. rad set to 1.9, chg 0
2859 GLY H unknown type. rad set to 1.9, chg 0
2861 GLY C unknown type. rad set to 1.9, chg 0
2862 GLY O unknown type. rad set to 1.9, chg 0
2863 GLU N unknown type. rad set to 1.9, chg 0
2864 GLU H unknown type. rad set to 1.9, chg 0
2871 GLU C unknown type. rad set to 1.9, chg 0
2872 GLU O unknown type. rad set to 1.9, chg 0
2873 GLY N unknown type. rad set to 1.9, chg 0
2874 GLY H unknown type. rad set to 1.9, chg 0
2876 GLY C unknown type. rad set to 1.9, chg 0
2877 GLY O unknown type. rad set to 1.9, chg 0
2878 TRP N unknown type. rad set to 1.9, chg 0
2879 TRP H unknown type. rad set to 1.9, chg 0
2884 TRP HD1unknown type. rad set to 1.9, chg 0
2887 TRP HE1unknown type. rad set to 1.9, chg 0
2890 TRP HE3unknown type. rad set to 1.9, chg 0
2892 TRP HZ2unknown type. rad set to 1.9, chg 0
2894 TRP HZ3unknown type. rad set to 1.9, chg 0
2896 TRP HH2unknown type. rad set to 1.9, chg 0
2897 TRP C unknown type. rad set to 1.9, chg 0
2898 TRP O unknown type. rad set to 1.9, chg 0
2899 GLY N unknown type. rad set to 1.9, chg 0
2900 GLY H unknown type. rad set to 1.9, chg 0
2902 GLY C unknown type. rad set to 1.9, chg 0
2903 GLY O unknown type. rad set to 1.9, chg 0
2904 PHE N unknown type. rad set to 1.9, chg 0
2905 PHE H unknown type. rad set to 1.9, chg 0
2910 PHE HD1unknown type. rad set to 1.9, chg 0
2912 PHE HD2unknown type. rad set to 1.9, chg 0
2914 PHE HE1unknown type. rad set to 1.9, chg 0
2916 PHE HE2unknown type. rad set to 1.9, chg 0
2918 PHE HZ unknown type. rad set to 1.9, chg 0
2919 PHE C unknown type. rad set to 1.9, chg 0
2920 PHE O unknown type. rad set to 1.9, chg 0
2921 MET N unknown type. rad set to 1.9, chg 0
2922 MET H unknown type. rad set to 1.9, chg 0
2928 MET C unknown type. rad set to 1.9, chg 0
2929 MET O unknown type. rad set to 1.9, chg 0
2930 PRO N unknown type. rad set to 1.9, chg 0
2935 PRO C unknown type. rad set to 1.9, chg 0
2936 PRO O unknown type. rad set to 1.9, chg 0
2937 SER N unknown type. rad set to 1.9, chg 0
2938 SER H unknown type. rad set to 1.9, chg 0
2942 SER HG unknown type. rad set to 1.9, chg 0
2943 SER C unknown type. rad set to 1.9, chg 0
2944 SER O unknown type. rad set to 1.9, chg 0
2945 ASP N unknown type. rad set to 1.9, chg 0
2946 ASP H unknown type. rad set to 1.9, chg 0
2952 ASP C unknown type. rad set to 1.9, chg 0
2953 ASP O unknown type. rad set to 1.9, chg 0
2954 ARG N unknown type. rad set to 1.9, chg 0
2955 ARG H unknown type. rad set to 1.9, chg 0
2961 ARG HE unknown type. rad set to 1.9, chg 0
2964 ARG 1HH1unknown type. rad set to 1.9, chg 0
2965 ARG 2HH1unknown type. rad set to 1.9, chg 0
2967 ARG 1HH2unknown type. rad set to 1.9, chg 0
2968 ARG 2HH2unknown type. rad set to 1.9, chg 0
2969 ARG C unknown type. rad set to 1.9, chg 0
2970 ARG O unknown type. rad set to 1.9, chg 0
2971 ALA N unknown type. rad set to 1.9, chg 0
2972 ALA H unknown type. rad set to 1.9, chg 0
2975 ALA C unknown type. rad set to 1.9, chg 0
2976 ALA O unknown type. rad set to 1.9, chg 0
2977 LEU N unknown type. rad set to 1.9, chg 0
2978 LEU H unknown type. rad set to 1.9, chg 0
2984 LEU C unknown type. rad set to 1.9, chg 0
2985 LEU O unknown type. rad set to 1.9, chg 0
2986 VAL N unknown type. rad set to 1.9, chg 0
2987 VAL H unknown type. rad set to 1.9, chg 0
2992 VAL C unknown type. rad set to 1.9, chg 0
2993 VAL O unknown type. rad set to 1.9, chg 0
2994 PHE N unknown type. rad set to 1.9, chg 0
2995 PHE H unknown type. rad set to 1.9, chg 0
3000 PHE HD1unknown type. rad set to 1.9, chg 0
3002 PHE HD2unknown type. rad set to 1.9, chg 0
3004 PHE HE1unknown type. rad set to 1.9, chg 0
3006 PHE HE2unknown type. rad set to 1.9, chg 0
3008 PHE HZ unknown type. rad set to 1.9, chg 0
3009 PHE C unknown type. rad set to 1.9, chg 0
3010 PHE O unknown type. rad set to 1.9, chg 0
3011 VAL N unknown type. rad set to 1.9, chg 0
3012 VAL H unknown type. rad set to 1.9, chg 0
3017 VAL C unknown type. rad set to 1.9, chg 0
3018 VAL O unknown type. rad set to 1.9, chg 0
3019 ASP N unknown type. rad set to 1.9, chg 0
3020 ASP H unknown type. rad set to 1.9, chg 0
3026 ASP C unknown type. rad set to 1.9, chg 0
3027 ASP O unknown type. rad set to 1.9, chg 0
3028 ASN N unknown type. rad set to 1.9, chg 0
3029 ASN H unknown type. rad set to 1.9, chg 0
3035 ASN 1HD2unknown type. rad set to 1.9, chg 0
3036 ASN 2HD2unknown type. rad set to 1.9, chg 0
3037 ASN C unknown type. rad set to 1.9, chg 0
3038 ASN O unknown type. rad set to 1.9, chg 0
3039 HIS N unknown type. rad set to 1.9, chg 0
3040 HIS H unknown type. rad set to 1.9, chg 0
3048 HIS HE2unknown type. rad set to 1.9, chg 0
3049 HIS C unknown type. rad set to 1.9, chg 0
3050 HIS O unknown type. rad set to 1.9, chg 0
3051 ASP N unknown type. rad set to 1.9, chg 0
3052 ASP H unknown type. rad set to 1.9, chg 0
3058 ASP C unknown type. rad set to 1.9, chg 0
3059 ASP O unknown type. rad set to 1.9, chg 0
3060 ASN N unknown type. rad set to 1.9, chg 0
3061 ASN H unknown type. rad set to 1.9, chg 0
3067 ASN 1HD2unknown type. rad set to 1.9, chg 0
3068 ASN 2HD2unknown type. rad set to 1.9, chg 0
3069 ASN C unknown type. rad set to 1.9, chg 0
3070 ASN O unknown type. rad set to 1.9, chg 0
3071 GLN N unknown type. rad set to 1.9, chg 0
3072 GLN H unknown type. rad set to 1.9, chg 0
3079 GLN 1HE2unknown type. rad set to 1.9, chg 0
3080 GLN 2HE2unknown type. rad set to 1.9, chg 0
3081 GLN C unknown type. rad set to 1.9, chg 0
3082 GLN O unknown type. rad set to 1.9, chg 0
3083 ARG N unknown type. rad set to 1.9, chg 0
3084 ARG H unknown type. rad set to 1.9, chg 0
3090 ARG HE unknown type. rad set to 1.9, chg 0
3093 ARG 1HH1unknown type. rad set to 1.9, chg 0
3094 ARG 2HH1unknown type. rad set to 1.9, chg 0
3096 ARG 1HH2unknown type. rad set to 1.9, chg 0
3097 ARG 2HH2unknown type. rad set to 1.9, chg 0
3098 ARG C unknown type. rad set to 1.9, chg 0
3099 ARG O unknown type. rad set to 1.9, chg 0
3100 GLY N unknown type. rad set to 1.9, chg 0
3101 GLY H unknown type. rad set to 1.9, chg 0
3103 GLY C unknown type. rad set to 1.9, chg 0
3104 GLY O unknown type. rad set to 1.9, chg 0
3105 HIS N unknown type. rad set to 1.9, chg 0
3106 HIS H unknown type. rad set to 1.9, chg 0
3114 HIS HE2unknown type. rad set to 1.9, chg 0
3115 HIS C unknown type. rad set to 1.9, chg 0
3116 HIS O unknown type. rad set to 1.9, chg 0
3117 GLY N unknown type. rad set to 1.9, chg 0
3118 GLY H unknown type. rad set to 1.9, chg 0
3120 GLY C unknown type. rad set to 1.9, chg 0
3121 GLY O unknown type. rad set to 1.9, chg 0
3122 ALA N unknown type. rad set to 1.9, chg 0
3123 ALA H unknown type. rad set to 1.9, chg 0
3126 ALA C unknown type. rad set to 1.9, chg 0
3127 ALA O unknown type. rad set to 1.9, chg 0
3128 GLY N unknown type. rad set to 1.9, chg 0
3129 GLY H unknown type. rad set to 1.9, chg 0
3131 GLY C unknown type. rad set to 1.9, chg 0
3132 GLY O unknown type. rad set to 1.9, chg 0
3133 GLY N unknown type. rad set to 1.9, chg 0
3134 GLY H unknown type. rad set to 1.9, chg 0
3136 GLY C unknown type. rad set to 1.9, chg 0
3137 GLY O unknown type. rad set to 1.9, chg 0
3138 ALA N unknown type. rad set to 1.9, chg 0
3139 ALA H unknown type. rad set to 1.9, chg 0
3142 ALA C unknown type. rad set to 1.9, chg 0
3143 ALA O unknown type. rad set to 1.9, chg 0
3144 SER N unknown type. rad set to 1.9, chg 0
3145 SER H unknown type. rad set to 1.9, chg 0
3149 SER HG unknown type. rad set to 1.9, chg 0
3150 SER C unknown type. rad set to 1.9, chg 0
3151 SER O unknown type. rad set to 1.9, chg 0
3152 ILE N unknown type. rad set to 1.9, chg 0
3153 ILE H unknown type. rad set to 1.9, chg 0
3158 ILE CD unknown type. rad set to 1.9, chg 0
3159 ILE C unknown type. rad set to 1.9, chg 0
3160 ILE O unknown type. rad set to 1.9, chg 0
3161 LEU N unknown type. rad set to 1.9, chg 0
3162 LEU H unknown type. rad set to 1.9, chg 0
3168 LEU C unknown type. rad set to 1.9, chg 0
3169 LEU O unknown type. rad set to 1.9, chg 0
3170 THR N unknown type. rad set to 1.9, chg 0
3171 THR H unknown type. rad set to 1.9, chg 0
3175 THR HG1unknown type. rad set to 1.9, chg 0
3177 THR C unknown type. rad set to 1.9, chg 0
3178 THR O unknown type. rad set to 1.9, chg 0
3179 PHE N unknown type. rad set to 1.9, chg 0
3180 PHE H unknown type. rad set to 1.9, chg 0
3185 PHE HD1unknown type. rad set to 1.9, chg 0
3187 PHE HD2unknown type. rad set to 1.9, chg 0
3189 PHE HE1unknown type. rad set to 1.9, chg 0
3191 PHE HE2unknown type. rad set to 1.9, chg 0
3193 PHE HZ unknown type. rad set to 1.9, chg 0
3194 PHE C unknown type. rad set to 1.9, chg 0
3195 PHE O unknown type. rad set to 1.9, chg 0
3196 TRP N unknown type. rad set to 1.9, chg 0
3197 TRP H unknown type. rad set to 1.9, chg 0
3202 TRP HD1unknown type. rad set to 1.9, chg 0
3205 TRP HE1unknown type. rad set to 1.9, chg 0
3208 TRP HE3unknown type. rad set to 1.9, chg 0
3210 TRP HZ2unknown type. rad set to 1.9, chg 0
3212 TRP HZ3unknown type. rad set to 1.9, chg 0
3214 TRP HH2unknown type. rad set to 1.9, chg 0
3215 TRP C unknown type. rad set to 1.9, chg 0
3216 TRP O unknown type. rad set to 1.9, chg 0
3217 ASP N unknown type. rad set to 1.9, chg 0
3218 ASP H unknown type. rad set to 1.9, chg 0
3224 ASP C unknown type. rad set to 1.9, chg 0
3225 ASP O unknown type. rad set to 1.9, chg 0
3226 ALA N unknown type. rad set to 1.9, chg 0
3227 ALA H unknown type. rad set to 1.9, chg 0
3230 ALA C unknown type. rad set to 1.9, chg 0
3231 ALA O unknown type. rad set to 1.9, chg 0
3232 ARG N unknown type. rad set to 1.9, chg 0
3233 ARG H unknown type. rad set to 1.9, chg 0
3239 ARG HE unknown type. rad set to 1.9, chg 0
3242 ARG 1HH1unknown type. rad set to 1.9, chg 0
3243 ARG 2HH1unknown type. rad set to 1.9, chg 0
3245 ARG 1HH2unknown type. rad set to 1.9, chg 0
3246 ARG 2HH2unknown type. rad set to 1.9, chg 0
3247 ARG C unknown type. rad set to 1.9, chg 0
3248 ARG O unknown type. rad set to 1.9, chg 0
3249 LEU N unknown type. rad set to 1.9, chg 0
3250 LEU H unknown type. rad set to 1.9, chg 0
3256 LEU C unknown type. rad set to 1.9, chg 0
3257 LEU O unknown type. rad set to 1.9, chg 0
3258 TYR N unknown type. rad set to 1.9, chg 0
3259 TYR H unknown type. rad set to 1.9, chg 0
3264 TYR HD1unknown type. rad set to 1.9, chg 0
3266 TYR HD2unknown type. rad set to 1.9, chg 0
3268 TYR HE1unknown type. rad set to 1.9, chg 0
3270 TYR HE2unknown type. rad set to 1.9, chg 0
3273 TYR HH unknown type. rad set to 1.9, chg 0
3274 TYR C unknown type. rad set to 1.9, chg 0
3275 TYR O unknown type. rad set to 1.9, chg 0
3276 LYS N unknown type. rad set to 1.9, chg 0
3277 LYS H unknown type. rad set to 1.9, chg 0
3284 LYS HZ1unknown type. rad set to 1.9, chg 0
3285 LYS HZ2unknown type. rad set to 1.9, chg 0
3286 LYS HZ3unknown type. rad set to 1.9, chg 0
3287 LYS C unknown type. rad set to 1.9, chg 0
3288 LYS O unknown type. rad set to 1.9, chg 0
3289 VAL N unknown type. rad set to 1.9, chg 0
3290 VAL H unknown type. rad set to 1.9, chg 0
3295 VAL C unknown type. rad set to 1.9, chg 0
3296 VAL O unknown type. rad set to 1.9, chg 0
3297 ALA N unknown type. rad set to 1.9, chg 0
3298 ALA H unknown type. rad set to 1.9, chg 0
3301 ALA C unknown type. rad set to 1.9, chg 0
3302 ALA O unknown type. rad set to 1.9, chg 0
3303 VAL N unknown type. rad set to 1.9, chg 0
3304 VAL H unknown type. rad set to 1.9, chg 0
3309 VAL C unknown type. rad set to 1.9, chg 0
3310 VAL O unknown type. rad set to 1.9, chg 0
3311 GLY N unknown type. rad set to 1.9, chg 0
3312 GLY H unknown type. rad set to 1.9, chg 0
3314 GLY C unknown type. rad set to 1.9, chg 0
3315 GLY O unknown type. rad set to 1.9, chg 0
3316 PHE N unknown type. rad set to 1.9, chg 0
3317 PHE H unknown type. rad set to 1.9, chg 0
3322 PHE HD1unknown type. rad set to 1.9, chg 0
3324 PHE HD2unknown type. rad set to 1.9, chg 0
3326 PHE HE1unknown type. rad set to 1.9, chg 0
3328 PHE HE2unknown type. rad set to 1.9, chg 0
3330 PHE HZ unknown type. rad set to 1.9, chg 0
3331 PHE C unknown type. rad set to 1.9, chg 0
3332 PHE O unknown type. rad set to 1.9, chg 0
3333 MET N unknown type. rad set to 1.9, chg 0
3334 MET H unknown type. rad set to 1.9, chg 0
3340 MET C unknown type. rad set to 1.9, chg 0
3341 MET O unknown type. rad set to 1.9, chg 0
3342 LEU N unknown type. rad set to 1.9, chg 0
3343 LEU H unknown type. rad set to 1.9, chg 0
3349 LEU C unknown type. rad set to 1.9, chg 0
3350 LEU O unknown type. rad set to 1.9, chg 0
3351 ALA N unknown type. rad set to 1.9, chg 0
3352 ALA H unknown type. rad set to 1.9, chg 0
3355 ALA C unknown type. rad set to 1.9, chg 0
3356 ALA O unknown type. rad set to 1.9, chg 0
3357 HIS N unknown type. rad set to 1.9, chg 0
3358 HIS H unknown type. rad set to 1.9, chg 0
3366 HIS HE2unknown type. rad set to 1.9, chg 0
3367 HIS C unknown type. rad set to 1.9, chg 0
3368 HIS O unknown type. rad set to 1.9, chg 0
3369 PRO N unknown type. rad set to 1.9, chg 0
3374 PRO C unknown type. rad set to 1.9, chg 0
3375 PRO O unknown type. rad set to 1.9, chg 0
3376 TYR N unknown type. rad set to 1.9, chg 0
3377 TYR H unknown type. rad set to 1.9, chg 0
3382 TYR HD1unknown type. rad set to 1.9, chg 0
3384 TYR HD2unknown type. rad set to 1.9, chg 0
3386 TYR HE1unknown type. rad set to 1.9, chg 0
3388 TYR HE2unknown type. rad set to 1.9, chg 0
3391 TYR HH unknown type. rad set to 1.9, chg 0
3392 TYR C unknown type. rad set to 1.9, chg 0
3393 TYR O unknown type. rad set to 1.9, chg 0
3394 GLY N unknown type. rad set to 1.9, chg 0
3395 GLY H unknown type. rad set to 1.9, chg 0
3397 GLY C unknown type. rad set to 1.9, chg 0
3398 GLY O unknown type. rad set to 1.9, chg 0
3399 PHE N unknown type. rad set to 1.9, chg 0
3400 PHE H unknown type. rad set to 1.9, chg 0
3405 PHE HD1unknown type. rad set to 1.9, chg 0
3407 PHE HD2unknown type. rad set to 1.9, chg 0
3409 PHE HE1unknown type. rad set to 1.9, chg 0
3411 PHE HE2unknown type. rad set to 1.9, chg 0
3413 PHE HZ unknown type. rad set to 1.9, chg 0
3414 PHE C unknown type. rad set to 1.9, chg 0
3415 PHE O unknown type. rad set to 1.9, chg 0
3416 THR N unknown type. rad set to 1.9, chg 0
3417 THR H unknown type. rad set to 1.9, chg 0
3421 THR HG1unknown type. rad set to 1.9, chg 0
3423 THR C unknown type. rad set to 1.9, chg 0
3424 THR O unknown type. rad set to 1.9, chg 0
3425 ARG N unknown type. rad set to 1.9, chg 0
3426 ARG H unknown type. rad set to 1.9, chg 0
3432 ARG HE unknown type. rad set to 1.9, chg 0
3435 ARG 1HH1unknown type. rad set to 1.9, chg 0
3436 ARG 2HH1unknown type. rad set to 1.9, chg 0
3438 ARG 1HH2unknown type. rad set to 1.9, chg 0
3439 ARG 2HH2unknown type. rad set to 1.9, chg 0
3440 ARG C unknown type. rad set to 1.9, chg 0
3441 ARG O unknown type. rad set to 1.9, chg 0
3442 VAL N unknown type. rad set to 1.9, chg 0
3443 VAL H unknown type. rad set to 1.9, chg 0
3448 VAL C unknown type. rad set to 1.9, chg 0
3449 VAL O unknown type. rad set to 1.9, chg 0
3450 MET N unknown type. rad set to 1.9, chg 0
3451 MET H unknown type. rad set to 1.9, chg 0
3457 MET C unknown type. rad set to 1.9, chg 0
3458 MET O unknown type. rad set to 1.9, chg 0
3459 SER N unknown type. rad set to 1.9, chg 0
3460 SER H unknown type. rad set to 1.9, chg 0
3464 SER HG unknown type. rad set to 1.9, chg 0
3465 SER C unknown type. rad set to 1.9, chg 0
3466 SER O unknown type. rad set to 1.9, chg 0
3467 SER N unknown type. rad set to 1.9, chg 0
3468 SER H unknown type. rad set to 1.9, chg 0
3472 SER HG unknown type. rad set to 1.9, chg 0
3473 SER C unknown type. rad set to 1.9, chg 0
3474 SER O unknown type. rad set to 1.9, chg 0
3475 TYR N unknown type. rad set to 1.9, chg 0
3476 TYR H unknown type. rad set to 1.9, chg 0
3481 TYR HD1unknown type. rad set to 1.9, chg 0
3483 TYR HD2unknown type. rad set to 1.9, chg 0
3485 TYR HE1unknown type. rad set to 1.9, chg 0
3487 TYR HE2unknown type. rad set to 1.9, chg 0
3490 TYR HH unknown type. rad set to 1.9, chg 0
3491 TYR C unknown type. rad set to 1.9, chg 0
3492 TYR O unknown type. rad set to 1.9, chg 0
3493 ARG N unknown type. rad set to 1.9, chg 0
3494 ARG H unknown type. rad set to 1.9, chg 0
3500 ARG HE unknown type. rad set to 1.9, chg 0
3503 ARG 1HH1unknown type. rad set to 1.9, chg 0
3504 ARG 2HH1unknown type. rad set to 1.9, chg 0
3506 ARG 1HH2unknown type. rad set to 1.9, chg 0
3507 ARG 2HH2unknown type. rad set to 1.9, chg 0
3508 ARG C unknown type. rad set to 1.9, chg 0
3509 ARG O unknown type. rad set to 1.9, chg 0
3510 TRP N unknown type. rad set to 1.9, chg 0
3511 TRP H unknown type. rad set to 1.9, chg 0
3516 TRP HD1unknown type. rad set to 1.9, chg 0
3519 TRP HE1unknown type. rad set to 1.9, chg 0
3522 TRP HE3unknown type. rad set to 1.9, chg 0
3524 TRP HZ2unknown type. rad set to 1.9, chg 0
3526 TRP HZ3unknown type. rad set to 1.9, chg 0
3528 TRP HH2unknown type. rad set to 1.9, chg 0
3529 TRP C unknown type. rad set to 1.9, chg 0
3530 TRP O unknown type. rad set to 1.9, chg 0
3531 ALA N unknown type. rad set to 1.9, chg 0
3532 ALA H unknown type. rad set to 1.9, chg 0
3535 ALA C unknown type. rad set to 1.9, chg 0
3536 ALA O unknown type. rad set to 1.9, chg 0
3537 ARG N unknown type. rad set to 1.9, chg 0
3538 ARG H unknown type. rad set to 1.9, chg 0
3544 ARG HE unknown type. rad set to 1.9, chg 0
3547 ARG 1HH1unknown type. rad set to 1.9, chg 0
3548 ARG 2HH1unknown type. rad set to 1.9, chg 0
3550 ARG 1HH2unknown type. rad set to 1.9, chg 0
3551 ARG 2HH2unknown type. rad set to 1.9, chg 0
3552 ARG C unknown type. rad set to 1.9, chg 0
3553 ARG O unknown type. rad set to 1.9, chg 0
3554 ASN N unknown type. rad set to 1.9, chg 0
3555 ASN H unknown type. rad set to 1.9, chg 0
3561 ASN 1HD2unknown type. rad set to 1.9, chg 0
3562 ASN 2HD2unknown type. rad set to 1.9, chg 0
3563 ASN C unknown type. rad set to 1.9, chg 0
3564 ASN O unknown type. rad set to 1.9, chg 0
3565 PHE N unknown type. rad set to 1.9, chg 0
3566 PHE H unknown type. rad set to 1.9, chg 0
3571 PHE HD1unknown type. rad set to 1.9, chg 0
3573 PHE HD2unknown type. rad set to 1.9, chg 0
3575 PHE HE1unknown type. rad set to 1.9, chg 0
3577 PHE HE2unknown type. rad set to 1.9, chg 0
3579 PHE HZ unknown type. rad set to 1.9, chg 0
3580 PHE C unknown type. rad set to 1.9, chg 0
3581 PHE O unknown type. rad set to 1.9, chg 0
3582 VAL N unknown type. rad set to 1.9, chg 0
3583 VAL H unknown type. rad set to 1.9, chg 0
3588 VAL C unknown type. rad set to 1.9, chg 0
3589 VAL O unknown type. rad set to 1.9, chg 0
3590 ASN N unknown type. rad set to 1.9, chg 0
3591 ASN H unknown type. rad set to 1.9, chg 0
3597 ASN 1HD2unknown type. rad set to 1.9, chg 0
3598 ASN 2HD2unknown type. rad set to 1.9, chg 0
3599 ASN C unknown type. rad set to 1.9, chg 0
3600 ASN O unknown type. rad set to 1.9, chg 0
3601 GLY N unknown type. rad set to 1.9, chg 0
3602 GLY H unknown type. rad set to 1.9, chg 0
3604 GLY C unknown type. rad set to 1.9, chg 0
3605 GLY O unknown type. rad set to 1.9, chg 0
3606 GLU N unknown type. rad set to 1.9, chg 0
3607 GLU H unknown type. rad set to 1.9, chg 0
3614 GLU C unknown type. rad set to 1.9, chg 0
3615 GLU O unknown type. rad set to 1.9, chg 0
3616 ASP N unknown type. rad set to 1.9, chg 0
3617 ASP H unknown type. rad set to 1.9, chg 0
3623 ASP C unknown type. rad set to 1.9, chg 0
3624 ASP O unknown type. rad set to 1.9, chg 0
3625 VAL N unknown type. rad set to 1.9, chg 0
3626 VAL H unknown type. rad set to 1.9, chg 0
3631 VAL C unknown type. rad set to 1.9, chg 0
3632 VAL O unknown type. rad set to 1.9, chg 0
3633 ASN N unknown type. rad set to 1.9, chg 0
3634 ASN H unknown type. rad set to 1.9, chg 0
3640 ASN 1HD2unknown type. rad set to 1.9, chg 0
3641 ASN 2HD2unknown type. rad set to 1.9, chg 0
3642 ASN C unknown type. rad set to 1.9, chg 0
3643 ASN O unknown type. rad set to 1.9, chg 0
3644 ASP N unknown type. rad set to 1.9, chg 0
3645 ASP H unknown type. rad set to 1.9, chg 0
3651 ASP C unknown type. rad set to 1.9, chg 0
3652 ASP O unknown type. rad set to 1.9, chg 0
3653 TRP N unknown type. rad set to 1.9, chg 0
3654 TRP H unknown type. rad set to 1.9, chg 0
3659 TRP HD1unknown type. rad set to 1.9, chg 0
3662 TRP HE1unknown type. rad set to 1.9, chg 0
3665 TRP HE3unknown type. rad set to 1.9, chg 0
3667 TRP HZ2unknown type. rad set to 1.9, chg 0
3669 TRP HZ3unknown type. rad set to 1.9, chg 0
3671 TRP HH2unknown type. rad set to 1.9, chg 0
3672 TRP C unknown type. rad set to 1.9, chg 0
3673 TRP O unknown type. rad set to 1.9, chg 0
3674 ILE N unknown type. rad set to 1.9, chg 0
3675 ILE H unknown type. rad set to 1.9, chg 0
3680 ILE CD unknown type. rad set to 1.9, chg 0
3681 ILE C unknown type. rad set to 1.9, chg 0
3682 ILE O unknown type. rad set to 1.9, chg 0
3683 GLY N unknown type. rad set to 1.9, chg 0
3684 GLY H unknown type. rad set to 1.9, chg 0
3686 GLY C unknown type. rad set to 1.9, chg 0
3687 GLY O unknown type. rad set to 1.9, chg 0
3688 PRO N unknown type. rad set to 1.9, chg 0
3693 PRO C unknown type. rad set to 1.9, chg 0
3694 PRO O unknown type. rad set to 1.9, chg 0
3695 PRO N unknown type. rad set to 1.9, chg 0
3700 PRO C unknown type. rad set to 1.9, chg 0
3701 PRO O unknown type. rad set to 1.9, chg 0
3702 ASN N unknown type. rad set to 1.9, chg 0
3703 ASN H unknown type. rad set to 1.9, chg 0
3709 ASN 1HD2unknown type. rad set to 1.9, chg 0
3710 ASN 2HD2unknown type. rad set to 1.9, chg 0
3711 ASN C unknown type. rad set to 1.9, chg 0
3712 ASN O unknown type. rad set to 1.9, chg 0
3713 ASN N unknown type. rad set to 1.9, chg 0
3714 ASN H unknown type. rad set to 1.9, chg 0
3720 ASN 1HD2unknown type. rad set to 1.9, chg 0
3721 ASN 2HD2unknown type. rad set to 1.9, chg 0
3722 ASN C unknown type. rad set to 1.9, chg 0
3723 ASN O unknown type. rad set to 1.9, chg 0
3724 ASN N unknown type. rad set to 1.9, chg 0
3725 ASN H unknown type. rad set to 1.9, chg 0
3731 ASN 1HD2unknown type. rad set to 1.9, chg 0
3732 ASN 2HD2unknown type. rad set to 1.9, chg 0
3733 ASN C unknown type. rad set to 1.9, chg 0
3734 ASN O unknown type. rad set to 1.9, chg 0
3735 GLY N unknown type. rad set to 1.9, chg 0
3736 GLY H unknown type. rad set to 1.9, chg 0
3738 GLY C unknown type. rad set to 1.9, chg 0
3739 GLY O unknown type. rad set to 1.9, chg 0
3740 VAL N unknown type. rad set to 1.9, chg 0
3741 VAL H unknown type. rad set to 1.9, chg 0
3746 VAL C unknown type. rad set to 1.9, chg 0
3747 VAL O unknown type. rad set to 1.9, chg 0
3748 ILE N unknown type. rad set to 1.9, chg 0
3749 ILE H unknown type. rad set to 1.9, chg 0
3754 ILE CD unknown type. rad set to 1.9, chg 0
3755 ILE C unknown type. rad set to 1.9, chg 0
3756 ILE O unknown type. rad set to 1.9, chg 0
3757 LYS N unknown type. rad set to 1.9, chg 0
3758 LYS H unknown type. rad set to 1.9, chg 0
3765 LYS HZ1unknown type. rad set to 1.9, chg 0
3766 LYS HZ2unknown type. rad set to 1.9, chg 0
3767 LYS HZ3unknown type. rad set to 1.9, chg 0
3768 LYS C unknown type. rad set to 1.9, chg 0
3769 LYS O unknown type. rad set to 1.9, chg 0
3770 GLU N unknown type. rad set to 1.9, chg 0
3771 GLU H unknown type. rad set to 1.9, chg 0
3778 GLU C unknown type. rad set to 1.9, chg 0
3779 GLU O unknown type. rad set to 1.9, chg 0
3780 VAL N unknown type. rad set to 1.9, chg 0
3781 VAL H unknown type. rad set to 1.9, chg 0
3786 VAL C unknown type. rad set to 1.9, chg 0
3787 VAL O unknown type. rad set to 1.9, chg 0
3788 THR N unknown type. rad set to 1.9, chg 0
3789 THR H unknown type. rad set to 1.9, chg 0
3793 THR HG1unknown type. rad set to 1.9, chg 0
3795 THR C unknown type. rad set to 1.9, chg 0
3796 THR O unknown type. rad set to 1.9, chg 0
3797 ILE N unknown type. rad set to 1.9, chg 0
3798 ILE H unknown type. rad set to 1.9, chg 0
3803 ILE CD unknown type. rad set to 1.9, chg 0
3804 ILE C unknown type. rad set to 1.9, chg 0
3805 ILE O unknown type. rad set to 1.9, chg 0
3806 ASN N unknown type. rad set to 1.9, chg 0
3807 ASN H unknown type. rad set to 1.9, chg 0
3813 ASN 1HD2unknown type. rad set to 1.9, chg 0
3814 ASN 2HD2unknown type. rad set to 1.9, chg 0
3815 ASN C unknown type. rad set to 1.9, chg 0
3816 ASN O unknown type. rad set to 1.9, chg 0
3817 ALA N unknown type. rad set to 1.9, chg 0
3818 ALA H unknown type. rad set to 1.9, chg 0
3821 ALA C unknown type. rad set to 1.9, chg 0
3822 ALA O unknown type. rad set to 1.9, chg 0
3823 ASP N unknown type. rad set to 1.9, chg 0
3824 ASP H unknown type. rad set to 1.9, chg 0
3830 ASP C unknown type. rad set to 1.9, chg 0
3831 ASP O unknown type. rad set to 1.9, chg 0
3832 THR N unknown type. rad set to 1.9, chg 0
3833 THR H unknown type. rad set to 1.9, chg 0
3837 THR HG1unknown type. rad set to 1.9, chg 0
3839 THR C unknown type. rad set to 1.9, chg 0
3840 THR O unknown type. rad set to 1.9, chg 0
3841 THR N unknown type. rad set to 1.9, chg 0
3842 THR H unknown type. rad set to 1.9, chg 0
3846 THR HG1unknown type. rad set to 1.9, chg 0
3848 THR C unknown type. rad set to 1.9, chg 0
3849 THR O unknown type. rad set to 1.9, chg 0
3850 CYS N unknown type. rad set to 1.9, chg 0
3851 CYS H unknown type. rad set to 1.9, chg 0
3855 CYS C unknown type. rad set to 1.9, chg 0
3856 CYS O unknown type. rad set to 1.9, chg 0
3857 GLY N unknown type. rad set to 1.9, chg 0
3858 GLY H unknown type. rad set to 1.9, chg 0
3860 GLY C unknown type. rad set to 1.9, chg 0
3861 GLY O unknown type. rad set to 1.9, chg 0
3862 ASN N unknown type. rad set to 1.9, chg 0
3863 ASN H unknown type. rad set to 1.9, chg 0
3869 ASN 1HD2unknown type. rad set to 1.9, chg 0
3870 ASN 2HD2unknown type. rad set to 1.9, chg 0
3871 ASN C unknown type. rad set to 1.9, chg 0
3872 ASN O unknown type. rad set to 1.9, chg 0
3873 ASP N unknown type. rad set to 1.9, chg 0
3874 ASP H unknown type. rad set to 1.9, chg 0
3880 ASP C unknown type. rad set to 1.9, chg 0
3881 ASP O unknown type. rad set to 1.9, chg 0
3882 TRP N unknown type. rad set to 1.9, chg 0
3883 TRP H unknown type. rad set to 1.9, chg 0
3888 TRP HD1unknown type. rad set to 1.9, chg 0
3891 TRP HE1unknown type. rad set to 1.9, chg 0
3894 TRP HE3unknown type. rad set to 1.9, chg 0
3896 TRP HZ2unknown type. rad set to 1.9, chg 0
3898 TRP HZ3unknown type. rad set to 1.9, chg 0
3900 TRP HH2unknown type. rad set to 1.9, chg 0
3901 TRP C unknown type. rad set to 1.9, chg 0
3902 TRP O unknown type. rad set to 1.9, chg 0
3903 VAL N unknown type. rad set to 1.9, chg 0
3904 VAL H unknown type. rad set to 1.9, chg 0
3909 VAL C unknown type. rad set to 1.9, chg 0
3910 VAL O unknown type. rad set to 1.9, chg 0
3911 CYS N unknown type. rad set to 1.9, chg 0
3912 CYS H unknown type. rad set to 1.9, chg 0
3916 CYS C unknown type. rad set to 1.9, chg 0
3917 CYS O unknown type. rad set to 1.9, chg 0
3918 GLU N unknown type. rad set to 1.9, chg 0
3919 GLU H unknown type. rad set to 1.9, chg 0
3926 GLU C unknown type. rad set to 1.9, chg 0
3927 GLU O unknown type. rad set to 1.9, chg 0
3928 HIS N unknown type. rad set to 1.9, chg 0
3929 HIS H unknown type. rad set to 1.9, chg 0
3937 HIS HE2unknown type. rad set to 1.9, chg 0
3938 HIS C unknown type. rad set to 1.9, chg 0
3939 HIS O unknown type. rad set to 1.9, chg 0
3940 ARG N unknown type. rad set to 1.9, chg 0
3941 ARG H unknown type. rad set to 1.9, chg 0
3947 ARG HE unknown type. rad set to 1.9, chg 0
3950 ARG 1HH1unknown type. rad set to 1.9, chg 0
3951 ARG 2HH1unknown type. rad set to 1.9, chg 0
3953 ARG 1HH2unknown type. rad set to 1.9, chg 0
3954 ARG 2HH2unknown type. rad set to 1.9, chg 0
3955 ARG C unknown type. rad set to 1.9, chg 0
3956 ARG O unknown type. rad set to 1.9, chg 0
3957 TRP N unknown type. rad set to 1.9, chg 0
3958 TRP H unknown type. rad set to 1.9, chg 0
3963 TRP HD1unknown type. rad set to 1.9, chg 0
3966 TRP HE1unknown type. rad set to 1.9, chg 0
3969 TRP HE3unknown type. rad set to 1.9, chg 0
3971 TRP HZ2unknown type. rad set to 1.9, chg 0
3973 TRP HZ3unknown type. rad set to 1.9, chg 0
3975 TRP HH2unknown type. rad set to 1.9, chg 0
3976 TRP C unknown type. rad set to 1.9, chg 0
3977 TRP O unknown type. rad set to 1.9, chg 0
3978 ARG N unknown type. rad set to 1.9, chg 0
3979 ARG H unknown type. rad set to 1.9, chg 0
3985 ARG HE unknown type. rad set to 1.9, chg 0
3988 ARG 1HH1unknown type. rad set to 1.9, chg 0
3989 ARG 2HH1unknown type. rad set to 1.9, chg 0
3991 ARG 1HH2unknown type. rad set to 1.9, chg 0
3992 ARG 2HH2unknown type. rad set to 1.9, chg 0
3993 ARG C unknown type. rad set to 1.9, chg 0
3994 ARG O unknown type. rad set to 1.9, chg 0
3995 GLU N unknown type. rad set to 1.9, chg 0
3996 GLU H unknown type. rad set to 1.9, chg 0
4003 GLU C unknown type. rad set to 1.9, chg 0
4004 GLU O unknown type. rad set to 1.9, chg 0
4005 ILE N unknown type. rad set to 1.9, chg 0
4006 ILE H unknown type. rad set to 1.9, chg 0
4011 ILE CD unknown type. rad set to 1.9, chg 0
4012 ILE C unknown type. rad set to 1.9, chg 0
4013 ILE O unknown type. rad set to 1.9, chg 0
4014 ARG N unknown type. rad set to 1.9, chg 0
4015 ARG H unknown type. rad set to 1.9, chg 0
4021 ARG HE unknown type. rad set to 1.9, chg 0
4024 ARG 1HH1unknown type. rad set to 1.9, chg 0
4025 ARG 2HH1unknown type. rad set to 1.9, chg 0
4027 ARG 1HH2unknown type. rad set to 1.9, chg 0
4028 ARG 2HH2unknown type. rad set to 1.9, chg 0
4029 ARG C unknown type. rad set to 1.9, chg 0
4030 ARG O unknown type. rad set to 1.9, chg 0
4031 ASN N unknown type. rad set to 1.9, chg 0
4032 ASN H unknown type. rad set to 1.9, chg 0
4038 ASN 1HD2unknown type. rad set to 1.9, chg 0
4039 ASN 2HD2unknown type. rad set to 1.9, chg 0
4040 ASN C unknown type. rad set to 1.9, chg 0
4041 ASN O unknown type. rad set to 1.9, chg 0
4042 MET N unknown type. rad set to 1.9, chg 0
4043 MET H unknown type. rad set to 1.9, chg 0
4049 MET C unknown type. rad set to 1.9, chg 0
4050 MET O unknown type. rad set to 1.9, chg 0
4051 VAL N unknown type. rad set to 1.9, chg 0
4052 VAL H unknown type. rad set to 1.9, chg 0
4057 VAL C unknown type. rad set to 1.9, chg 0
4058 VAL O unknown type. rad set to 1.9, chg 0
4059 TRP N unknown type. rad set to 1.9, chg 0
4060 TRP H unknown type. rad set to 1.9, chg 0
4065 TRP HD1unknown type. rad set to 1.9, chg 0
4068 TRP HE1unknown type. rad set to 1.9, chg 0
4071 TRP HE3unknown type. rad set to 1.9, chg 0
4073 TRP HZ2unknown type. rad set to 1.9, chg 0
4075 TRP HZ3unknown type. rad set to 1.9, chg 0
4077 TRP HH2unknown type. rad set to 1.9, chg 0
4078 TRP C unknown type. rad set to 1.9, chg 0
4079 TRP O unknown type. rad set to 1.9, chg 0
4080 PHE N unknown type. rad set to 1.9, chg 0
4081 PHE H unknown type. rad set to 1.9, chg 0
4086 PHE HD1unknown type. rad set to 1.9, chg 0
4088 PHE HD2unknown type. rad set to 1.9, chg 0
4090 PHE HE1unknown type. rad set to 1.9, chg 0
4092 PHE HE2unknown type. rad set to 1.9, chg 0
4094 PHE HZ unknown type. rad set to 1.9, chg 0
4095 PHE C unknown type. rad set to 1.9, chg 0
4096 PHE O unknown type. rad set to 1.9, chg 0
4097 ARG N unknown type. rad set to 1.9, chg 0
4098 ARG H unknown type. rad set to 1.9, chg 0
4104 ARG HE unknown type. rad set to 1.9, chg 0
4107 ARG 1HH1unknown type. rad set to 1.9, chg 0
4108 ARG 2HH1unknown type. rad set to 1.9, chg 0
4110 ARG 1HH2unknown type. rad set to 1.9, chg 0
4111 ARG 2HH2unknown type. rad set to 1.9, chg 0
4112 ARG C unknown type. rad set to 1.9, chg 0
4113 ARG O unknown type. rad set to 1.9, chg 0
4114 ASN N unknown type. rad set to 1.9, chg 0
4115 ASN H unknown type. rad set to 1.9, chg 0
4121 ASN 1HD2unknown type. rad set to 1.9, chg 0
4122 ASN 2HD2unknown type. rad set to 1.9, chg 0
4123 ASN C unknown type. rad set to 1.9, chg 0
4124 ASN O unknown type. rad set to 1.9, chg 0
4125 VAL N unknown type. rad set to 1.9, chg 0
4126 VAL H unknown type. rad set to 1.9, chg 0
4131 VAL C unknown type. rad set to 1.9, chg 0
4132 VAL O unknown type. rad set to 1.9, chg 0
4133 VAL N unknown type. rad set to 1.9, chg 0
4134 VAL H unknown type. rad set to 1.9, chg 0
4139 VAL C unknown type. rad set to 1.9, chg 0
4140 VAL O unknown type. rad set to 1.9, chg 0
4141 ASP N unknown type. rad set to 1.9, chg 0
4142 ASP H unknown type. rad set to 1.9, chg 0
4148 ASP C unknown type. rad set to 1.9, chg 0
4149 ASP O unknown type. rad set to 1.9, chg 0
4150 GLY N unknown type. rad set to 1.9, chg 0
4151 GLY H unknown type. rad set to 1.9, chg 0
4153 GLY C unknown type. rad set to 1.9, chg 0
4154 GLY O unknown type. rad set to 1.9, chg 0
4155 GLN N unknown type. rad set to 1.9, chg 0
4156 GLN H unknown type. rad set to 1.9, chg 0
4163 GLN 1HE2unknown type. rad set to 1.9, chg 0
4164 GLN 2HE2unknown type. rad set to 1.9, chg 0
4165 GLN C unknown type. rad set to 1.9, chg 0
4166 GLN O unknown type. rad set to 1.9, chg 0
4167 PRO N unknown type. rad set to 1.9, chg 0
4172 PRO C unknown type. rad set to 1.9, chg 0
4173 PRO O unknown type. rad set to 1.9, chg 0
4174 PHE N unknown type. rad set to 1.9, chg 0
4175 PHE H unknown type. rad set to 1.9, chg 0
4180 PHE HD1unknown type. rad set to 1.9, chg 0
4182 PHE HD2unknown type. rad set to 1.9, chg 0
4184 PHE HE1unknown type. rad set to 1.9, chg 0
4186 PHE HE2unknown type. rad set to 1.9, chg 0
4188 PHE HZ unknown type. rad set to 1.9, chg 0
4189 PHE C unknown type. rad set to 1.9, chg 0
4190 PHE O unknown type. rad set to 1.9, chg 0
4191 ALA N unknown type. rad set to 1.9, chg 0
4192 ALA H unknown type. rad set to 1.9, chg 0
4195 ALA C unknown type. rad set to 1.9, chg 0
4196 ALA O unknown type. rad set to 1.9, chg 0
4197 ASN N unknown type. rad set to 1.9, chg 0
4198 ASN H unknown type. rad set to 1.9, chg 0
4204 ASN 1HD2unknown type. rad set to 1.9, chg 0
4205 ASN 2HD2unknown type. rad set to 1.9, chg 0
4206 ASN C unknown type. rad set to 1.9, chg 0
4207 ASN O unknown type. rad set to 1.9, chg 0
4208 TRP N unknown type. rad set to 1.9, chg 0
4209 TRP H unknown type. rad set to 1.9, chg 0
4214 TRP HD1unknown type. rad set to 1.9, chg 0
4217 TRP HE1unknown type. rad set to 1.9, chg 0
4220 TRP HE3unknown type. rad set to 1.9, chg 0
4222 TRP HZ2unknown type. rad set to 1.9, chg 0
4224 TRP HZ3unknown type. rad set to 1.9, chg 0
4226 TRP HH2unknown type. rad set to 1.9, chg 0
4227 TRP C unknown type. rad set to 1.9, chg 0
4228 TRP O unknown type. rad set to 1.9, chg 0
4229 TRP N unknown type. rad set to 1.9, chg 0
4230 TRP H unknown type. rad set to 1.9, chg 0
4235 TRP HD1unknown type. rad set to 1.9, chg 0
4238 TRP HE1unknown type. rad set to 1.9, chg 0
4241 TRP HE3unknown type. rad set to 1.9, chg 0
4243 TRP HZ2unknown type. rad set to 1.9, chg 0
4245 TRP HZ3unknown type. rad set to 1.9, chg 0
4247 TRP HH2unknown type. rad set to 1.9, chg 0
4248 TRP C unknown type. rad set to 1.9, chg 0
4249 TRP O unknown type. rad set to 1.9, chg 0
4250 ASP N unknown type. rad set to 1.9, chg 0
4251 ASP H unknown type. rad set to 1.9, chg 0
4257 ASP C unknown type. rad set to 1.9, chg 0
4258 ASP O unknown type. rad set to 1.9, chg 0
4259 ASN N unknown type. rad set to 1.9, chg 0
4260 ASN H unknown type. rad set to 1.9, chg 0
4266 ASN 1HD2unknown type. rad set to 1.9, chg 0
4267 ASN 2HD2unknown type. rad set to 1.9, chg 0
4268 ASN C unknown type. rad set to 1.9, chg 0
4269 ASN O unknown type. rad set to 1.9, chg 0
4270 GLY N unknown type. rad set to 1.9, chg 0
4271 GLY H unknown type. rad set to 1.9, chg 0
4273 GLY C unknown type. rad set to 1.9, chg 0
4274 GLY O unknown type. rad set to 1.9, chg 0
4275 SER N unknown type. rad set to 1.9, chg 0
4276 SER H unknown type. rad set to 1.9, chg 0
4280 SER HG unknown type. rad set to 1.9, chg 0
4281 SER C unknown type. rad set to 1.9, chg 0
4282 SER O unknown type. rad set to 1.9, chg 0
4283 ASN N unknown type. rad set to 1.9, chg 0
4284 ASN H unknown type. rad set to 1.9, chg 0
4290 ASN 1HD2unknown type. rad set to 1.9, chg 0
4291 ASN 2HD2unknown type. rad set to 1.9, chg 0
4292 ASN C unknown type. rad set to 1.9, chg 0
4293 ASN O unknown type. rad set to 1.9, chg 0
4294 GLN N unknown type. rad set to 1.9, chg 0
4295 GLN H unknown type. rad set to 1.9, chg 0
4302 GLN 1HE2unknown type. rad set to 1.9, chg 0
4303 GLN 2HE2unknown type. rad set to 1.9, chg 0
4304 GLN C unknown type. rad set to 1.9, chg 0
4305 GLN O unknown type. rad set to 1.9, chg 0
4306 VAL N unknown type. rad set to 1.9, chg 0
4307 VAL H unknown type. rad set to 1.9, chg 0
4312 VAL C unknown type. rad set to 1.9, chg 0
4313 VAL O unknown type. rad set to 1.9, chg 0
4314 ALA N unknown type. rad set to 1.9, chg 0
4315 ALA H unknown type. rad set to 1.9, chg 0
4318 ALA C unknown type. rad set to 1.9, chg 0
4319 ALA O unknown type. rad set to 1.9, chg 0
4320 PHE N unknown type. rad set to 1.9, chg 0
4321 PHE H unknown type. rad set to 1.9, chg 0
4326 PHE HD1unknown type. rad set to 1.9, chg 0
4328 PHE HD2unknown type. rad set to 1.9, chg 0
4330 PHE HE1unknown type. rad set to 1.9, chg 0
4332 PHE HE2unknown type. rad set to 1.9, chg 0
4334 PHE HZ unknown type. rad set to 1.9, chg 0
4335 PHE C unknown type. rad set to 1.9, chg 0
4336 PHE O unknown type. rad set to 1.9, chg 0
4337 GLY N unknown type. rad set to 1.9, chg 0
4338 GLY H unknown type. rad set to 1.9, chg 0
4340 GLY C unknown type. rad set to 1.9, chg 0
4341 GLY O unknown type. rad set to 1.9, chg 0
4342 ARG N unknown type. rad set to 1.9, chg 0
4343 ARG H unknown type. rad set to 1.9, chg 0
4349 ARG HE unknown type. rad set to 1.9, chg 0
4352 ARG 1HH1unknown type. rad set to 1.9, chg 0
4353 ARG 2HH1unknown type. rad set to 1.9, chg 0
4355 ARG 1HH2unknown type. rad set to 1.9, chg 0
4356 ARG 2HH2unknown type. rad set to 1.9, chg 0
4357 ARG C unknown type. rad set to 1.9, chg 0
4358 ARG O unknown type. rad set to 1.9, chg 0
4359 GLY N unknown type. rad set to 1.9, chg 0
4360 GLY H unknown type. rad set to 1.9, chg 0
4362 GLY C unknown type. rad set to 1.9, chg 0
4363 GLY O unknown type. rad set to 1.9, chg 0
4364 ASN N unknown type. rad set to 1.9, chg 0
4365 ASN H unknown type. rad set to 1.9, chg 0
4371 ASN 1HD2unknown type. rad set to 1.9, chg 0
4372 ASN 2HD2unknown type. rad set to 1.9, chg 0
4373 ASN C unknown type. rad set to 1.9, chg 0
4374 ASN O unknown type. rad set to 1.9, chg 0
4375 ARG N unknown type. rad set to 1.9, chg 0
4376 ARG H unknown type. rad set to 1.9, chg 0
4382 ARG HE unknown type. rad set to 1.9, chg 0
4385 ARG 1HH1unknown type. rad set to 1.9, chg 0
4386 ARG 2HH1unknown type. rad set to 1.9, chg 0
4388 ARG 1HH2unknown type. rad set to 1.9, chg 0
4389 ARG 2HH2unknown type. rad set to 1.9, chg 0
4390 ARG C unknown type. rad set to 1.9, chg 0
4391 ARG O unknown type. rad set to 1.9, chg 0
4392 GLY N unknown type. rad set to 1.9, chg 0
4393 GLY H unknown type. rad set to 1.9, chg 0
4395 GLY C unknown type. rad set to 1.9, chg 0
4396 GLY O unknown type. rad set to 1.9, chg 0
4397 PHE N unknown type. rad set to 1.9, chg 0
4398 PHE H unknown type. rad set to 1.9, chg 0
4403 PHE HD1unknown type. rad set to 1.9, chg 0
4405 PHE HD2unknown type. rad set to 1.9, chg 0
4407 PHE HE1unknown type. rad set to 1.9, chg 0
4409 PHE HE2unknown type. rad set to 1.9, chg 0
4411 PHE HZ unknown type. rad set to 1.9, chg 0
4412 PHE C unknown type. rad set to 1.9, chg 0
4413 PHE O unknown type. rad set to 1.9, chg 0
4414 ILE N unknown type. rad set to 1.9, chg 0
4415 ILE H unknown type. rad set to 1.9, chg 0
4420 ILE CD unknown type. rad set to 1.9, chg 0
4421 ILE C unknown type. rad set to 1.9, chg 0
4422 ILE O unknown type. rad set to 1.9, chg 0
4423 VAL N unknown type. rad set to 1.9, chg 0
4424 VAL H unknown type. rad set to 1.9, chg 0
4429 VAL C unknown type. rad set to 1.9, chg 0
4430 VAL O unknown type. rad set to 1.9, chg 0
4431 PHE N unknown type. rad set to 1.9, chg 0
4432 PHE H unknown type. rad set to 1.9, chg 0
4437 PHE HD1unknown type. rad set to 1.9, chg 0
4439 PHE HD2unknown type. rad set to 1.9, chg 0
4441 PHE HE1unknown type. rad set to 1.9, chg 0
4443 PHE HE2unknown type. rad set to 1.9, chg 0
4445 PHE HZ unknown type. rad set to 1.9, chg 0
4446 PHE C unknown type. rad set to 1.9, chg 0
4447 PHE O unknown type. rad set to 1.9, chg 0
4448 ASN N unknown type. rad set to 1.9, chg 0
4449 ASN H unknown type. rad set to 1.9, chg 0
4455 ASN 1HD2unknown type. rad set to 1.9, chg 0
4456 ASN 2HD2unknown type. rad set to 1.9, chg 0
4457 ASN C unknown type. rad set to 1.9, chg 0
4458 ASN O unknown type. rad set to 1.9, chg 0
4459 ASN N unknown type. rad set to 1.9, chg 0
4460 ASN H unknown type. rad set to 1.9, chg 0
4466 ASN 1HD2unknown type. rad set to 1.9, chg 0
4467 ASN 2HD2unknown type. rad set to 1.9, chg 0
4468 ASN C unknown type. rad set to 1.9, chg 0
4469 ASN O unknown type. rad set to 1.9, chg 0
4470 ASP N unknown type. rad set to 1.9, chg 0
4471 ASP H unknown type. rad set to 1.9, chg 0
4477 ASP C unknown type. rad set to 1.9, chg 0
4478 ASP O unknown type. rad set to 1.9, chg 0
4479 ASP N unknown type. rad set to 1.9, chg 0
4480 ASP H unknown type. rad set to 1.9, chg 0
4486 ASP C unknown type. rad set to 1.9, chg 0
4487 ASP O unknown type. rad set to 1.9, chg 0
4488 TRP N unknown type. rad set to 1.9, chg 0
4489 TRP H unknown type. rad set to 1.9, chg 0
4494 TRP HD1unknown type. rad set to 1.9, chg 0
4497 TRP HE1unknown type. rad set to 1.9, chg 0
4500 TRP HE3unknown type. rad set to 1.9, chg 0
4502 TRP HZ2unknown type. rad set to 1.9, chg 0
4504 TRP HZ3unknown type. rad set to 1.9, chg 0
4506 TRP HH2unknown type. rad set to 1.9, chg 0
4507 TRP C unknown type. rad set to 1.9, chg 0
4508 TRP O unknown type. rad set to 1.9, chg 0
4509 GLN N unknown type. rad set to 1.9, chg 0
4510 GLN H unknown type. rad set to 1.9, chg 0
4517 GLN 1HE2unknown type. rad set to 1.9, chg 0
4518 GLN 2HE2unknown type. rad set to 1.9, chg 0
4519 GLN C unknown type. rad set to 1.9, chg 0
4520 GLN O unknown type. rad set to 1.9, chg 0
4521 LEU N unknown type. rad set to 1.9, chg 0
4522 LEU H unknown type. rad set to 1.9, chg 0
4528 LEU C unknown type. rad set to 1.9, chg 0
4529 LEU O unknown type. rad set to 1.9, chg 0
4530 SER N unknown type. rad set to 1.9, chg 0
4531 SER H unknown type. rad set to 1.9, chg 0
4535 SER HG unknown type. rad set to 1.9, chg 0
4536 SER C unknown type. rad set to 1.9, chg 0
4537 SER O unknown type. rad set to 1.9, chg 0
4538 SER N unknown type. rad set to 1.9, chg 0
4539 SER H unknown type. rad set to 1.9, chg 0
4543 SER HG unknown type. rad set to 1.9, chg 0
4544 SER C unknown type. rad set to 1.9, chg 0
4545 SER O unknown type. rad set to 1.9, chg 0
4546 THR N unknown type. rad set to 1.9, chg 0
4547 THR H unknown type. rad set to 1.9, chg 0
4551 THR HG1unknown type. rad set to 1.9, chg 0
4553 THR C unknown type. rad set to 1.9, chg 0
4554 THR O unknown type. rad set to 1.9, chg 0
4555 LEU N unknown type. rad set to 1.9, chg 0
4556 LEU H unknown type. rad set to 1.9, chg 0
4562 LEU C unknown type. rad set to 1.9, chg 0
4563 LEU O unknown type. rad set to 1.9, chg 0
4564 GLN N unknown type. rad set to 1.9, chg 0
4565 GLN H unknown type. rad set to 1.9, chg 0
4572 GLN 1HE2unknown type. rad set to 1.9, chg 0
4573 GLN 2HE2unknown type. rad set to 1.9, chg 0
4574 GLN C unknown type. rad set to 1.9, chg 0
4575 GLN O unknown type. rad set to 1.9, chg 0
4576 THR N unknown type. rad set to 1.9, chg 0
4577 THR H unknown type. rad set to 1.9, chg 0
4581 THR HG1unknown type. rad set to 1.9, chg 0
4583 THR C unknown type. rad set to 1.9, chg 0
4584 THR O unknown type. rad set to 1.9, chg 0
4585 GLY N unknown type. rad set to 1.9, chg 0
4586 GLY H unknown type. rad set to 1.9, chg 0
4588 GLY C unknown type. rad set to 1.9, chg 0
4589 GLY O unknown type. rad set to 1.9, chg 0
4590 LEU N unknown type. rad set to 1.9, chg 0
4591 LEU H unknown type. rad set to 1.9, chg 0
4597 LEU C unknown type. rad set to 1.9, chg 0
4598 LEU O unknown type. rad set to 1.9, chg 0
4599 PRO N unknown type. rad set to 1.9, chg 0
4604 PRO C unknown type. rad set to 1.9, chg 0
4605 PRO O unknown type. rad set to 1.9, chg 0
4606 GLY N unknown type. rad set to 1.9, chg 0
4607 GLY H unknown type. rad set to 1.9, chg 0
4609 GLY C unknown type. rad set to 1.9, chg 0
4610 GLY O unknown type. rad set to 1.9, chg 0
4611 GLY N unknown type. rad set to 1.9, chg 0
4612 GLY H unknown type. rad set to 1.9, chg 0
4614 GLY C unknown type. rad set to 1.9, chg 0
4615 GLY O unknown type. rad set to 1.9, chg 0
4616 THR N unknown type. rad set to 1.9, chg 0
4617 THR H unknown type. rad set to 1.9, chg 0
4621 THR HG1unknown type. rad set to 1.9, chg 0
4623 THR C unknown type. rad set to 1.9, chg 0
4624 THR O unknown type. rad set to 1.9, chg 0
4625 TYR N unknown type. rad set to 1.9, chg 0
4626 TYR H unknown type. rad set to 1.9, chg 0
4631 TYR HD1unknown type. rad set to 1.9, chg 0
4633 TYR HD2unknown type. rad set to 1.9, chg 0
4635 TYR HE1unknown type. rad set to 1.9, chg 0
4637 TYR HE2unknown type. rad set to 1.9, chg 0
4640 TYR HH unknown type. rad set to 1.9, chg 0
4641 TYR C unknown type. rad set to 1.9, chg 0
4642 TYR O unknown type. rad set to 1.9, chg 0
4643 CYS N unknown type. rad set to 1.9, chg 0
4644 CYS H unknown type. rad set to 1.9, chg 0
4648 CYS C unknown type. rad set to 1.9, chg 0
4649 CYS O unknown type. rad set to 1.9, chg 0
4650 ASP N unknown type. rad set to 1.9, chg 0
4651 ASP H unknown type. rad set to 1.9, chg 0
4657 ASP C unknown type. rad set to 1.9, chg 0
4658 ASP O unknown type. rad set to 1.9, chg 0
4659 VAL N unknown type. rad set to 1.9, chg 0
4660 VAL H unknown type. rad set to 1.9, chg 0
4665 VAL C unknown type. rad set to 1.9, chg 0
4666 VAL O unknown type. rad set to 1.9, chg 0
4667 ILE N unknown type. rad set to 1.9, chg 0
4668 ILE H unknown type. rad set to 1.9, chg 0
4673 ILE CD unknown type. rad set to 1.9, chg 0
4674 ILE C unknown type. rad set to 1.9, chg 0
4675 ILE O unknown type. rad set to 1.9, chg 0
4676 SER N unknown type. rad set to 1.9, chg 0
4677 SER H unknown type. rad set to 1.9, chg 0
4681 SER HG unknown type. rad set to 1.9, chg 0
4682 SER C unknown type. rad set to 1.9, chg 0
4683 SER O unknown type. rad set to 1.9, chg 0
4684 GLY N unknown type. rad set to 1.9, chg 0
4685 GLY H unknown type. rad set to 1.9, chg 0
4687 GLY C unknown type. rad set to 1.9, chg 0
4688 GLY O unknown type. rad set to 1.9, chg 0
4689 ASP N unknown type. rad set to 1.9, chg 0
4690 ASP H unknown type. rad set to 1.9, chg 0
4696 ASP C unknown type. rad set to 1.9, chg 0
4697 ASP O unknown type. rad set to 1.9, chg 0
4698 LYS N unknown type. rad set to 1.9, chg 0
4699 LYS H unknown type. rad set to 1.9, chg 0
4706 LYS HZ1unknown type. rad set to 1.9, chg 0
4707 LYS HZ2unknown type. rad set to 1.9, chg 0
4708 LYS HZ3unknown type. rad set to 1.9, chg 0
4709 LYS C unknown type. rad set to 1.9, chg 0
4710 LYS O unknown type. rad set to 1.9, chg 0
4711 VAL N unknown type. rad set to 1.9, chg 0
4712 VAL H unknown type. rad set to 1.9, chg 0
4717 VAL C unknown type. rad set to 1.9, chg 0
4718 VAL O unknown type. rad set to 1.9, chg 0
4719 GLY N unknown type. rad set to 1.9, chg 0
4720 GLY H unknown type. rad set to 1.9, chg 0
4722 GLY C unknown type. rad set to 1.9, chg 0
4723 GLY O unknown type. rad set to 1.9, chg 0
4724 ASN N unknown type. rad set to 1.9, chg 0
4725 ASN H unknown type. rad set to 1.9, chg 0
4731 ASN 1HD2unknown type. rad set to 1.9, chg 0
4732 ASN 2HD2unknown type. rad set to 1.9, chg 0
4733 ASN C unknown type. rad set to 1.9, chg 0
4734 ASN O unknown type. rad set to 1.9, chg 0
4735 SER N unknown type. rad set to 1.9, chg 0
4736 SER H unknown type. rad set to 1.9, chg 0
4740 SER HG unknown type. rad set to 1.9, chg 0
4741 SER C unknown type. rad set to 1.9, chg 0
4742 SER O unknown type. rad set to 1.9, chg 0
4743 CYS N unknown type. rad set to 1.9, chg 0
4744 CYS H unknown type. rad set to 1.9, chg 0
4748 CYS C unknown type. rad set to 1.9, chg 0
4749 CYS O unknown type. rad set to 1.9, chg 0
4750 THR N unknown type. rad set to 1.9, chg 0
4751 THR H unknown type. rad set to 1.9, chg 0
4755 THR HG1unknown type. rad set to 1.9, chg 0
4757 THR C unknown type. rad set to 1.9, chg 0
4758 THR O unknown type. rad set to 1.9, chg 0
4759 GLY N unknown type. rad set to 1.9, chg 0
4760 GLY H unknown type. rad set to 1.9, chg 0
4762 GLY C unknown type. rad set to 1.9, chg 0
4763 GLY O unknown type. rad set to 1.9, chg 0
4764 ILE N unknown type. rad set to 1.9, chg 0
4765 ILE H unknown type. rad set to 1.9, chg 0
4770 ILE CD unknown type. rad set to 1.9, chg 0
4771 ILE C unknown type. rad set to 1.9, chg 0
4772 ILE O unknown type. rad set to 1.9, chg 0
4773 LYS N unknown type. rad set to 1.9, chg 0
4774 LYS H unknown type. rad set to 1.9, chg 0
4781 LYS HZ1unknown type. rad set to 1.9, chg 0
4782 LYS HZ2unknown type. rad set to 1.9, chg 0
4783 LYS HZ3unknown type. rad set to 1.9, chg 0
4784 LYS C unknown type. rad set to 1.9, chg 0
4785 LYS O unknown type. rad set to 1.9, chg 0
4786 VAL N unknown type. rad set to 1.9, chg 0
4787 VAL H unknown type. rad set to 1.9, chg 0
4792 VAL C unknown type. rad set to 1.9, chg 0
4793 VAL O unknown type. rad set to 1.9, chg 0
4794 TYR N unknown type. rad set to 1.9, chg 0
4795 TYR H unknown type. rad set to 1.9, chg 0
4800 TYR HD1unknown type. rad set to 1.9, chg 0
4802 TYR HD2unknown type. rad set to 1.9, chg 0
4804 TYR HE1unknown type. rad set to 1.9, chg 0
4806 TYR HE2unknown type. rad set to 1.9, chg 0
4809 TYR HH unknown type. rad set to 1.9, chg 0
4810 TYR C unknown type. rad set to 1.9, chg 0
4811 TYR O unknown type. rad set to 1.9, chg 0
4812 VAL N unknown type. rad set to 1.9, chg 0
4813 VAL H unknown type. rad set to 1.9, chg 0
4818 VAL C unknown type. rad set to 1.9, chg 0
4819 VAL O unknown type. rad set to 1.9, chg 0
4820 SER N unknown type. rad set to 1.9, chg 0
4821 SER H unknown type. rad set to 1.9, chg 0
4825 SER HG unknown type. rad set to 1.9, chg 0
4826 SER C unknown type. rad set to 1.9, chg 0
4827 SER O unknown type. rad set to 1.9, chg 0
4828 SER N unknown type. rad set to 1.9, chg 0
4829 SER H unknown type. rad set to 1.9, chg 0
4833 SER HG unknown type. rad set to 1.9, chg 0
4834 SER C unknown type. rad set to 1.9, chg 0
4835 SER O unknown type. rad set to 1.9, chg 0
4836 ASP N unknown type. rad set to 1.9, chg 0
4837 ASP H unknown type. rad set to 1.9, chg 0
4843 ASP C unknown type. rad set to 1.9, chg 0
4844 ASP O unknown type. rad set to 1.9, chg 0
4845 GLY N unknown type. rad set to 1.9, chg 0
4846 GLY H unknown type. rad set to 1.9, chg 0
4848 GLY C unknown type. rad set to 1.9, chg 0
4849 GLY O unknown type. rad set to 1.9, chg 0
4850 THR N unknown type. rad set to 1.9, chg 0
4851 THR H unknown type. rad set to 1.9, chg 0
4855 THR HG1unknown type. rad set to 1.9, chg 0
4857 THR C unknown type. rad set to 1.9, chg 0
4858 THR O unknown type. rad set to 1.9, chg 0
4859 ALA N unknown type. rad set to 1.9, chg 0
4860 ALA H unknown type. rad set to 1.9, chg 0
4863 ALA C unknown type. rad set to 1.9, chg 0
4864 ALA O unknown type. rad set to 1.9, chg 0
4865 GLN N unknown type. rad set to 1.9, chg 0
4866 GLN H unknown type. rad set to 1.9, chg 0
4873 GLN 1HE2unknown type. rad set to 1.9, chg 0
4874 GLN 2HE2unknown type. rad set to 1.9, chg 0
4875 GLN C unknown type. rad set to 1.9, chg 0
4876 GLN O unknown type. rad set to 1.9, chg 0
4877 PHE N unknown type. rad set to 1.9, chg 0
4878 PHE H unknown type. rad set to 1.9, chg 0
4883 PHE HD1unknown type. rad set to 1.9, chg 0
4885 PHE HD2unknown type. rad set to 1.9, chg 0
4887 PHE HE1unknown type. rad set to 1.9, chg 0
4889 PHE HE2unknown type. rad set to 1.9, chg 0
4891 PHE HZ unknown type. rad set to 1.9, chg 0
4892 PHE C unknown type. rad set to 1.9, chg 0
4893 PHE O unknown type. rad set to 1.9, chg 0
4894 SER N unknown type. rad set to 1.9, chg 0
4895 SER H unknown type. rad set to 1.9, chg 0
4899 SER HG unknown type. rad set to 1.9, chg 0
4900 SER C unknown type. rad set to 1.9, chg 0
4901 SER O unknown type. rad set to 1.9, chg 0
4902 ILE N unknown type. rad set to 1.9, chg 0
4903 ILE H unknown type. rad set to 1.9, chg 0
4908 ILE CD unknown type. rad set to 1.9, chg 0
4909 ILE C unknown type. rad set to 1.9, chg 0
4910 ILE O unknown type. rad set to 1.9, chg 0
4911 SER N unknown type. rad set to 1.9, chg 0
4912 SER H unknown type. rad set to 1.9, chg 0
4916 SER HG unknown type. rad set to 1.9, chg 0
4917 SER C unknown type. rad set to 1.9, chg 0
4918 SER O unknown type. rad set to 1.9, chg 0
4919 ASN N unknown type. rad set to 1.9, chg 0
4920 ASN H unknown type. rad set to 1.9, chg 0
4926 ASN 1HD2unknown type. rad set to 1.9, chg 0
4927 ASN 2HD2unknown type. rad set to 1.9, chg 0
4928 ASN C unknown type. rad set to 1.9, chg 0
4929 ASN O unknown type. rad set to 1.9, chg 0
4930 SER N unknown type. rad set to 1.9, chg 0
4931 SER H unknown type. rad set to 1.9, chg 0
4935 SER HG unknown type. rad set to 1.9, chg 0
4936 SER C unknown type. rad set to 1.9, chg 0
4937 SER O unknown type. rad set to 1.9, chg 0
4938 ALA N unknown type. rad set to 1.9, chg 0
4939 ALA H unknown type. rad set to 1.9, chg 0
4942 ALA C unknown type. rad set to 1.9, chg 0
4943 ALA O unknown type. rad set to 1.9, chg 0
4944 GLU N unknown type. rad set to 1.9, chg 0
4945 GLU H unknown type. rad set to 1.9, chg 0
4952 GLU C unknown type. rad set to 1.9, chg 0
4953 GLU O unknown type. rad set to 1.9, chg 0
4954 ASP N unknown type. rad set to 1.9, chg 0
4955 ASP H unknown type. rad set to 1.9, chg 0
4961 ASP C unknown type. rad set to 1.9, chg 0
4962 ASP O unknown type. rad set to 1.9, chg 0
4963 PRO N unknown type. rad set to 1.9, chg 0
4968 PRO C unknown type. rad set to 1.9, chg 0
4969 PRO O unknown type. rad set to 1.9, chg 0
4970 PHE N unknown type. rad set to 1.9, chg 0
4971 PHE H unknown type. rad set to 1.9, chg 0
4976 PHE HD1unknown type. rad set to 1.9, chg 0
4978 PHE HD2unknown type. rad set to 1.9, chg 0
4980 PHE HE1unknown type. rad set to 1.9, chg 0
4982 PHE HE2unknown type. rad set to 1.9, chg 0
4984 PHE HZ unknown type. rad set to 1.9, chg 0
4985 PHE C unknown type. rad set to 1.9, chg 0
4986 PHE O unknown type. rad set to 1.9, chg 0
4987 ILE N unknown type. rad set to 1.9, chg 0
4988 ILE H unknown type. rad set to 1.9, chg 0
4993 ILE CD unknown type. rad set to 1.9, chg 0
4994 ILE C unknown type. rad set to 1.9, chg 0
4995 ILE O unknown type. rad set to 1.9, chg 0
4996 ALA N unknown type. rad set to 1.9, chg 0
4997 ALA H unknown type. rad set to 1.9, chg 0
5000 ALA C unknown type. rad set to 1.9, chg 0
5001 ALA O unknown type. rad set to 1.9, chg 0
5002 ILE N unknown type. rad set to 1.9, chg 0
5003 ILE H unknown type. rad set to 1.9, chg 0
5008 ILE CD unknown type. rad set to 1.9, chg 0
5009 ILE C unknown type. rad set to 1.9, chg 0
5010 ILE O unknown type. rad set to 1.9, chg 0
5011 HIS N unknown type. rad set to 1.9, chg 0
5012 HIS H unknown type. rad set to 1.9, chg 0
5020 HIS HE2unknown type. rad set to 1.9, chg 0
5021 HIS C unknown type. rad set to 1.9, chg 0
5022 HIS O unknown type. rad set to 1.9, chg 0
5023 ALA N unknown type. rad set to 1.9, chg 0
5024 ALA H unknown type. rad set to 1.9, chg 0
5027 ALA C unknown type. rad set to 1.9, chg 0
5028 ALA O unknown type. rad set to 1.9, chg 0
5029 GLU N unknown type. rad set to 1.9, chg 0
5030 GLU H unknown type. rad set to 1.9, chg 0
5037 GLU C unknown type. rad set to 1.9, chg 0
5038 GLU O unknown type. rad set to 1.9, chg 0
5039 SER N unknown type. rad set to 1.9, chg 0
5040 SER H unknown type. rad set to 1.9, chg 0
5044 SER HG unknown type. rad set to 1.9, chg 0
5045 SER C unknown type. rad set to 1.9, chg 0
5046 SER O unknown type. rad set to 1.9, chg 0
5047 LYS N unknown type. rad set to 1.9, chg 0
5048 LYS H unknown type. rad set to 1.9, chg 0
5055 LYS HZ1unknown type. rad set to 1.9, chg 0
5056 LYS HZ2unknown type. rad set to 1.9, chg 0
5057 LYS HZ3unknown type. rad set to 1.9, chg 0
5058 LYS C unknown type. rad set to 1.9, chg 0
5059 LYS O unknown type. rad set to 1.9, chg 0
5060 LEU N unknown type. rad set to 1.9, chg 0
5061 LEU H unknown type. rad set to 1.9, chg 0
5067 LEU C unknown type. rad set to 1.9, chg 0
5068 LEU O1 unknown type. rad set to 1.9, chg 0
5069 LEU O2 unknown type. rad set to 1.9, chg 0
В help написано, что эта программа помечает атомы, вносящие вклад в поверхность молекулы.
Аналогично в терминале запустила для второго файла: mark_sur camelid_h.pdb camelid_m.pdb
zdock help
Usage: zdock [options] -R [receptor.pdb] -L [ligand.pdb] Standard PDB format files must be processed by mark_sur to add atom radius, charge and atom type. If you know that some atoms are not in the binding site, you can block them by changing their atom type (column 55-56) to 19. Available options: -o filename : set the output filename (default to zdock.out) -N int : set the number of output predictions, (default to 2000) -S int : set the seed for the randomization of the starting PDBs (default to no randomization) -D : set rotational sampling to be dense, used only if zdock output will be further processed by more detailed binding energy calculations (default to none) -F : fix the receptor, preventing its rotation and switching with ligand during execution.
В терминале запустила zdock с параметрами по умолчанию: nohup zdock -R amylase_m.pdb -L camelid_m.pdb & Перед этим удалила строчки MODEL и TER из *_m.pdb
Далее я анализирую результат докинга. Предварительный анализ докинга проводится с помощью zrank.
%%bash
export LD_LIBRARY_PATH=${LD_LIBRARY_PATH}:/home/preps/golovin/progs/lib
export PATH=${PATH}:/home/preps/golovin/progs/bin
ln -s /home/preps/golovin/progs/bin/create_lig
create.pl zdock.out.cp
ls complex*pdb >list
zrank list
./create_lig new_pdb ligand.pdb rand1 rand2 rand3 r_x r_y r_z l_x l_y l_z angle_x angle_y angle_z trans_x trans_y trans_z N spacing OR ./create_lig new_pdb ligand.pdb switch rec_rand1 rec_rand2 rec_rand3 rand1 rand2 rand3 r_x r_y r_z l_x l_y l_z angle_x angle_y angle_z trans_x trans_y trans_z N spacing **Note: files must be in PDB format.
cat: zdock.out.cp.1: No such file or directory rm: cannot remove `zdock.out.cp.1': No such file or directory Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring Warning: no hydrogens found in PDB file, need to include polar hydrogens for accurate scoring
Получились новые структуры (1-2001) в формате pdb, которые нужно по RMSD сравнить со структурой 1KXT из PDB. К сожалению, мне не удалось воспользоваться программой g_rms. Первая проблема - из файла 1kxt надо сделать мономер, иначе программа совсем не работает, слишком большая разница в количестве атомов. Я просто оставила те строчки ATOM, которые про цепи A и B. Почему-то количество атомов все равно осталось разным и даже варьирует очень сильно в структурах, полученных с помошью zrank. А RMSD, который выдается программый все время одинаков, как и время (но если сравнить, например, две новые структуры между собой, то он становится другим). В общем, мне не удалось понять, как это сделать правильно :(
Запускала так с параметрами 0 и 0: g_rms -s 1kxtAB.pdb -f complex.1543.pdb -o rmsd_1543.xvg
В итоге всегда такие значения.