| blob | f0c0137632196b5e8176a52ecd56e3e8c8eba34f |
1 [ bondedtypes ]
2 ; bonds angles dihedrals impropers
3 1 1 1 2
5 [ ABU ]
6 [ atoms ]
7 N N -0.280 0
8 H H 0.280 0
9 CA CH1 0.000 1
10 CB CH2 0.000 2
11 CG CH3 0.000 3
12 C C 0.380 4
13 O O -0.380 4
14 [ bonds ]
15 N H
16 N CA
17 CA C
18 C O
19 -C N
20 CA CB
21 CB CG
22 [ impropers ]
23 N -C CA H
24 -C -CA N -O
25 CA N C CB
27 [ ACE ]
28 [ atoms ]
29 CA CH3 0.000 0
30 C C 0.380 1
31 O O -0.380 1
32 [ bonds ]
33 C CA
34 C O
36 [ ADE ]
37 [ atoms ]
38 P P 0.990 0
39 O1P OM -0.635 0
40 O2P OM -0.635 0
41 O5* OS -0.360 0
42 C5* CS2 0.000 1
43 C4* CS1 0.160 2
44 O4* OS -0.360 2
45 C1* CS1 0.200 2
46 N9 NR5* -0.200 3
47 C4 CB 0.200 3
48 N3 NR6 -0.360 4
49 C2 CR61 0.360 4
50 N1 NR6 -0.360 5
51 C6 CB 0.360 5
52 N6 NT -0.830 6
53 H61 H 0.415 6
54 H62 H 0.415 6
55 C5 CB 0.000 7
56 N7 NR5 -0.360 8
57 C8 CR51 0.360 8
58 C2* CS1 0.150 9
59 O2* OA -0.548 9
60 H2* HO 0.398 9
61 C3* CS1 0.000 10
62 O3* OS -0.360 11
63 [ bonds ]
64 P O1P
65 P O2P
66 P O5*
67 O5* C5*
68 C5* C4*
69 C4* O4*
70 C4* C3*
71 O4* C1*
72 C1* N9
73 C1* C2*
74 N9 C4
75 N9 C8
76 C4 N3
77 C4 C5
78 N3 C2
79 C2 N1
80 N1 C6
81 C6 N6
82 C6 C5
83 N6 H61
84 N6 H62
85 C5 N7
86 N7 C8
87 C2* O2*
88 C2* C3*
89 O2* H2*
90 C3* O3*
91 -O3* P
92 [ impropers ]
93 C4* O4* C5* C3*
94 C3* C2* O3* C4*
95 C1* N9 O4* C2*
96 N9 C8 C4 C1*
97 C4 N9 C8 N7
98 C8 N9 C4 C5
99 N9 C8 N7 C5
100 N9 C4 C5 N7
101 C8 N7 C5 C4
102 C4 N9 N3 C5
103 C5 C6 N7 C4
104 N3 C4 C5 C6
105 C4 C5 C6 N1
106 C5 C4 N3 C2
107 C5 C6 N1 C2
108 C4 N3 C2 N1
109 N3 C2 N1 C6
110 C6 C5 N1 N6
111 N6 H61 H62 C6
112 C2* O2* C3* C1*
114 [ AIB ]
115 [ atoms ]
116 N N -0.280 0
117 H H 0.280 0
118 CA CH1 0.000 1
119 CB1 CH3 0.000 2
120 CB2 CH3 0.000 3
121 C C 0.380 4
122 O O -0.380 4
123 [ bonds ]
124 N H
125 N CA
126 CA C
127 C O
128 -C N
129 CA CB1
130 CA CB2
131 [ impropers ]
132 N -C CA H
133 -C -CA N -O
134 CA N C CB1
136 [ ALA ]
137 [ atoms ]
138 N N -0.280 0
139 H H 0.280 0
140 CA CH1 0.000 1
141 CB CH3 0.000 2
142 C C 0.380 3
143 O O -0.380 3
144 [ bonds ]
145 N H
146 N CA
147 CA C
148 C O
149 -C N
150 CA CB
151 [ impropers ]
152 N -C CA H
153 -C -CA N -O
154 CA N C CB
156 [ ARG ]
157 [ atoms ]
158 N N -0.280 0
159 H H 0.280 0
160 CA CH1 0.000 1
161 CB CH2 0.000 2
162 CG CH2 0.000 3
163 CD CH2 0.090 4
164 NE NE -0.110 4
165 HE H 0.240 4
166 CZ C 0.340 4
167 NH1 NZ -0.260 4
168 HH11 H 0.240 4
169 HH12 H 0.240 4
170 NH2 NZ -0.260 4
171 HH21 H 0.240 4
172 HH22 H 0.240 4
173 C C 0.380 5
174 O O -0.380 5
175 [ bonds ]
176 N H
177 N CA
178 CA C
179 C O
180 -C N
181 CA CB
182 CB CG
183 CG CD
184 CD NE
185 NE HE
186 NE CZ
187 CZ NH1
188 CZ NH2
189 NH1 HH11
190 NH1 HH12
191 NH2 HH21
192 NH2 HH22
193 [ impropers ]
194 N -C CA H
195 -C -CA N -O
196 CA N C CB
197 NE CD CZ HE
198 CZ NH1 NH2 NE
199 NH1 HH11 HH12 CZ
200 NH2 HH21 HH22 CZ
202 [ ARGN ]
203 [ atoms ]
204 N N -0.280 0
205 H H 0.280 0
206 CA CH1 0.000 1
207 CB CH2 0.000 2
208 CG CH2 0.000 3
209 CD CH2 0.000 4
210 NE NE -0.280 5
211 HE H 0.280 5
212 CZ C 0.150 6
213 NH1 NE -0.548 6
214 HH1 H 0.398 6
215 NH2 NZ -0.830 7
216 HH21 H 0.415 7
217 HH22 H 0.415 7
218 C C 0.380 8
219 O O -0.380 8
220 [ bonds ]
221 N H
222 N CA
223 CA C
224 C O
225 -C N
226 CA CB
227 CB CG
228 CG CD
229 CD NE
230 NE HE
231 NE CZ
232 CZ NH1
233 CZ NH2
234 NH1 HH1
235 NH2 HH21
236 NH2 HH22
237 [ impropers ]
238 N -C CA H
239 -C -CA N -O
240 CA N C CB
241 NE CD CZ HE
242 CZ NH1 NH2 NE
243 NH2 HH21 HH22 CZ
245 [ ASN ]
246 [ atoms ]
247 N N -0.280 0
248 H H 0.280 0
249 CA CH1 0.000 1
250 CB CH2 0.000 2
251 CG C 0.380 3
252 OD1 O -0.380 3
253 ND2 NT -0.830 4
254 HD21 H 0.415 4
255 HD22 H 0.415 4
256 C C 0.380 5
257 O O -0.380 5
258 [ bonds ]
259 N H
260 N CA
261 CA C
262 C O
263 -C N
264 CA CB
265 CB CG
266 CG OD1
267 CG ND2
268 ND2 HD21
269 ND2 HD22
270 [ impropers ]
271 N -C CA H
272 -C -CA N -O
273 CA N C CB
274 CG OD1 ND2 CB
275 ND2 HD21 HD22 CG
277 [ ASP ]
278 [ atoms ]
279 N N -0.280 0
280 H H 0.280 0
281 CA CH1 0.000 1
282 CB CH2 0.000 2
283 CG C 0.270 3
284 OD1 OM -0.635 3
285 OD2 OM -0.635 3
286 C C 0.380 4
287 O O -0.380 4
288 [ bonds ]
289 N H
290 N CA
291 CA C
292 C O
293 -C N
294 CA CB
295 CB CG
296 CG OD1
297 CG OD2
298 [ impropers ]
299 N -C CA H
300 -C -CA N -O
301 CA N C CB
302 CG OD1 OD2 CB
304 [ ASPH ]
305 [ atoms ]
306 N N -0.280 0
307 H H 0.280 0
308 CA CH1 0.000 1
309 CB CH2 0.000 2
310 CG C 0.530 3
311 OD1 O -0.380 3
312 OD2 OA -0.548 3
313 HD2 HO 0.398 3
314 C C 0.380 4
315 O O -0.380 4
316 [ bonds ]
317 N H
318 N CA
319 CA C
320 C O
321 -C N
322 CA CB
323 CB CG
324 CG OD1
325 CG OD2
326 OD2 HD2
327 [ impropers ]
328 N -C CA H
329 -C -CA N -O
330 CA N C CB
331 CG OD1 OD2 CB
333 [ ATP ]
334 [ atoms ]
335 AN9 NR5* -0.200 0
336 AC4 CB 0.200 0
337 AN3 NR6 -0.360 1
338 AC2 CR61 0.360 1
339 AN1 NR6 -0.360 2
340 AC6 CB 0.360 2
341 AN6 NT -0.830 3
342 AH61 H 0.415 3
343 AH62 H 0.415 3
344 AC5 CB 0.000 4
345 AN7 NR5 -0.360 5
346 AC8 CR51 0.360 5
347 AC1* CS1 0.200 6
348 AO4* OS -0.360 6
349 AC4* CS1 0.160 6
350 AC2* CS1 0.150 7
351 AO2* OA -0.548 7
352 AH2* HO 0.398 7
353 AC3* CS1 0.150 8
354 AO3* OA -0.548 8
355 AH3* HO 0.398 8
356 AC5* CS2 0.000 9
357 AO5* OS -0.360 10
358 APA P 0.705 10
359 AO1PA OM -0.635 10
360 AO2PA OM -0.635 10
361 AO3PA OS -0.360 11
362 APB P 0.705 11
363 AO1PB OM -0.635 11
364 AO2PB OM -0.635 11
365 AO3PB OS -0.360 12
366 APG P 0.630 12
367 AO1PG OM -0.635 12
368 AO2PG OM -0.635 12
369 AO3PG OA -0.548 12
370 AH3PG HO 0.398 12
371 [ bonds ]
372 AN9 AC4
373 AN9 AC8
374 AN9 AC1*
375 AC4 AN3
376 AC4 AC5
377 AN3 AC2
378 AC2 AN1
379 AN1 AC6
380 AC6 AN6
381 AC6 AC5
382 AN6 AH61
383 AN6 AH62
384 AC5 AN7
385 AN7 AC8
386 AC1* AO4*
387 AC1* AC2*
388 AO4* AC4*
389 AC4* AC3*
390 AC4* AC5*
391 AC2* AO2*
392 AC2* AC3*
393 AO2* AH2*
394 AC3* AO3*
395 AO3* AH3*
396 AC5* AO5*
397 AO5* APA
398 APA AO1PA
399 APA AO2PA
400 APA AO3PA
401 AO3PA APB
402 APB AO1PB
403 APB AO2PB
404 APB AO3PB
405 AO3PB APG
406 APG AO1PG
407 APG AO2PG
408 APG AO3PG
409 AO3PG AH3PG
410 [ impropers ]
411 AN9 AC8 AC4 AC1*
412 AC4 AN9 AC8 AN7
413 AC8 AN9 AC4 AC5
414 AN9 AC8 AN7 AC5
415 AN9 AC4 AC5 AN7
416 AC8 AN7 AC5 AC4
417 AC4 AN9 AN3 AC5
418 AC5 AC6 AN7 AC4
419 AN3 AC4 AC5 AC6
420 AC4 AC5 AC6 AN1
421 AC5 AC4 AN3 AC2
422 AC5 AC6 AN1 AC2
423 AC4 AN3 AC2 AN1
424 AN3 AC2 AN1 AC6
425 AC6 AC5 AN1 AN6
426 AN6 AH61 AH62 AC6
427 AC1* AN9 AO4* AC2*
428 AC4* AO4* AC5* AC3*
429 AC2* AO2* AC3* AC1*
430 AC3* AC2* AO3* AC4*
432 [ BEN ]
433 [ atoms ]
434 C1 CB 0.000 0
435 C2 CR6 -0.140 1
436 H2 HCR 0.140 1
437 C3 CR6 -0.140 2
438 H3 HCR 0.140 2
439 C4 CR6 -0.140 3
440 H4 HCR 0.140 4
441 C5 CR6 -0.140 5
442 H5 HCR 0.140 6
443 C6 CR6 -0.140 7
444 H6 HCR 0.140 7
445 C7 C 0.560 8
446 N1 NZ -0.260 8
447 H11 H 0.240 8
448 H12 H 0.240 8
449 N2 NZ -0.260 8
450 H21 H 0.240 8
451 H22 H 0.240 8
452 [ bonds ]
453 C1 C2
454 C2 C3
455 C3 C4
456 C4 C5
457 C5 C6
458 C6 C1
459 C1 C7
460 C7 N1
461 C7 N2
462 C2 H2
463 C3 H3
464 C4 H4
465 C5 H5
466 C6 H6
467 N1 H11
468 N1 H12
469 N2 H21
470 N2 H22
471 [ impropers ]
472 C1 C2 C3 C4
473 C2 C3 C4 C5
474 C3 C4 C5 C6
475 C4 C5 C6 C1
476 C5 C6 C1 C2
477 C6 C1 C2 C3
478 C2 C1 C3 H2
479 C3 C2 C4 H3
480 C4 C3 C5 H4
481 C5 C4 C6 H5
482 C6 C5 C1 H6
483 C1 C6 C2 C7
484 C7 N1 N2 C1
485 C6 C1 C7 N2
486 C2 C1 C7 N1
487 N1 H11 H12 C7
488 N2 H21 H22 C7
490 [ C10 ]
491 [ atoms ]
492 C1 CP3 0.000 0
493 C2 CP2 0.000 1
494 C3 CP2 0.000 2
495 C4 CP2 0.000 3
496 C5 CP2 0.000 4
497 C6 CP2 0.000 5
498 C7 CP2 0.000 6
499 C8 CP2 0.000 7
500 C9 CP2 0.000 8
501 C10 CP3 0.000 9
502 [ bonds ]
503 C1 C2
504 C2 C3
505 C3 C4
506 C4 C5
507 C5 C6
508 C6 C7
509 C7 C8
510 C8 C9
511 C9 C10
513 [ CA ]
514 [ atoms ]
515 CA CA 2.000 0
517 [ CL ]
518 [ atoms ]
519 CL CL -1.000 0
521 [ CYS2 ]
522 [ atoms ]
523 N N -0.280 0
524 H H 0.280 0
525 CA CH1 0.000 1
526 CB CH2 0.000 2
527 SG S 0.000 3
528 C C 0.380 4
529 O O -0.380 4
530 [ bonds ]
531 N H
532 N CA
533 CA C
534 C O
535 -C N
536 CA CB
537 CB SG
538 [ impropers ]
539 N -C CA H
540 -C -CA N -O
541 CA N C CB
543 [ CYSH ]
544 [ atoms ]
545 N N -0.280 0
546 H H 0.280 0
547 CA CH1 0.000 1
548 CB CH2 0.000 2
549 SG S -0.064 3
550 HG HS 0.064 3
551 C C 0.380 4
552 O O -0.380 4
553 [ bonds ]
554 N H
555 N CA
556 CA C
557 C O
558 -C N
559 CA CB
560 CB SG
561 SG HG
562 [ impropers ]
563 N -C CA H
564 -C -CA N -O
565 CA N C CB
567 [ CYT ]
568 [ atoms ]
569 P P 0.990 0
570 O1P OM -0.635 0
571 O2P OM -0.635 0
572 O5* OS -0.360 0
573 C5* CS2 0.000 1
574 C4* CS1 0.160 2
575 O4* OS -0.360 2
576 C1* CS1 0.200 2
577 N1 NR6* -0.200 3
578 C6 CR61 0.200 3
579 C2 CB 0.380 4
580 O2 O -0.380 4
581 N3 NR6 -0.360 5
582 C4 CB 0.360 5
583 N4 NT -0.830 6
584 H41 H 0.415 6
585 H42 H 0.415 6
586 C5 CR61 0.000 7
587 C2* CS1 0.150 8
588 O2* OA -0.548 8
589 H2* HO 0.398 8
590 C3* CS1 0.000 9
591 O3* OS -0.360 10
592 [ bonds ]
593 P O1P
594 P O2P
595 P O5*
596 O5* C5*
597 C5* C4*
598 C4* O4*
599 C4* C3*
600 O4* C1*
601 C1* N1
602 C1* C2*
603 N1 C6
604 N1 C2
605 C6 C5
606 C2 O2
607 C2 N3
608 N3 C4
609 C4 N4
610 C4 C5
611 N4 H41
612 N4 H42
613 C2* O2*
614 C2* C3*
615 O2* H2*
616 C3* O3*
617 -O3* P
618 [ impropers ]
619 C4* O4* C5* C3*
620 C3* C2* O3* C4*
621 C1* N1 O4* C2*
622 N1 C6 C2 C1*
623 C2 N1 C6 C5
624 C6 N1 C2 N3
625 N1 C6 C5 C4
626 N1 C2 N3 C4
627 C6 C5 C4 N3
628 C2 N3 C4 C5
629 C2 N3 N1 O2
630 C4 C5 N3 N4
631 N4 H41 H42 C4
632 C2* O2* C3* C1*
634 [ CYT* ]
635 [ atoms ]
636 C4* CS1 0.160 0
637 O4* OS -0.360 0
638 C1* CS1 0.200 0
639 N1 NR6* -0.200 1
640 C6 CR61 0.200 1
641 C2 CB 0.380 2
642 O2 O -0.380 2
643 N3 NR6 -0.360 3
644 C4 CB 0.360 3
645 N4 NT -0.830 4
646 H41 H 0.415 4
647 H42 H 0.415 4
648 C5 CR61 0.000 5
649 C2* CS1 0.150 6
650 O2* OA -0.548 6
651 H2* HO 0.398 6
652 C3* CS1 0.000 7
653 O3* OS -0.360 8
654 SI1 SI 0.540 8
655 OSI OS -0.360 8
656 SI2 SI 0.540 8
657 O5* OS -0.360 8
658 C5* CS2 0.000 9
659 C11 CH1 0.000 10
660 C111 CH3 0.000 11
661 C112 CH3 0.000 12
662 C12 CH1 0.000 13
663 C121 CH3 0.000 14
664 C122 CH3 0.000 15
665 C21 CH1 0.000 16
666 C211 CH3 0.000 17
667 C212 CH3 0.000 18
668 C22 CH1 0.000 19
669 C221 CH3 0.000 20
670 C222 CH3 0.000 21
671 [ bonds ]
672 C4* O4*
673 C4* C3*
674 C4* C5*
675 O4* C1*
676 C1* N1
677 C1* C2*
678 N1 C6
679 N1 C2
680 C6 C5
681 C2 O2
682 C2 N3
683 N3 C4
684 C4 N4
685 C4 C5
686 N4 H41
687 N4 H42
688 C2* O2*
689 C2* C3*
690 O2* H2*
691 C3* O3*
692 O3* SI1
693 SI1 OSI
694 SI1 C11
695 SI1 C12
696 OSI SI2
697 SI2 O5*
698 SI2 C21
699 SI2 C22
700 O5* C5*
701 C11 C111
702 C11 C112
703 C12 C121
704 C12 C122
705 C21 C211
706 C21 C212
707 C22 C221
708 C22 C222
709 [ impropers ]
710 C4* O4* C5* C3*
711 C3* C2* O3* C4*
712 C2* O2* C3* C1*
713 C1* N1 O4* C2*
714 N1 C6 C2 C1*
715 C2 N1 C6 C5
716 C6 N1 C2 N3
717 N1 C6 C5 C4
718 N1 C2 N3 C4
719 C6 C5 C4 N3
720 C2 N3 C4 C5
721 C2 N3 N1 O2
722 C4 C5 N3 N4
723 N4 H41 H42 C4
724 C11 C112 C111 SI1
725 C12 C122 C121 SI1
726 C21 C212 C211 SI2
727 C22 C222 C221 SI2
729 [ DADE ]
730 [ atoms ]
731 P P 0.990 0
732 O1P OM -0.635 0
733 O2P OM -0.635 0
734 O5* OS -0.360 0
735 C5* CS2 0.000 1
736 C4* CS1 0.160 2
737 O4* OS -0.360 2
738 C1* CS1 0.200 2
739 N9 NR5* -0.200 3
740 C4 CB 0.200 3
741 N3 NR6 -0.360 4
742 C2 CR61 0.360 4
743 N1 NR6 -0.360 5
744 C6 CB 0.360 5
745 N6 NT -0.830 6
746 H61 H 0.415 6
747 H62 H 0.415 6
748 C5 CB 0.000 7
749 N7 NR5 -0.360 8
750 C8 CR51 0.360 8
751 C2* CS2 0.000 9
752 C3* CS1 0.000 10
753 O3* OS -0.360 11
754 [ bonds ]
755 P O1P
756 P O2P
757 P O5*
758 O5* C5*
759 C5* C4*
760 C4* O4*
761 C4* C3*
762 O4* C1*
763 C1* N9
764 C1* C2*
765 N9 C4
766 N9 C8
767 C4 N3
768 C4 C5
769 N3 C2
770 C2 N1
771 N1 C6
772 C6 N6
773 C6 C5
774 N6 H61
775 N6 H62
776 C5 N7
777 N7 C8
778 C2* C3*
779 C3* O3*
780 -O3* P
781 [ impropers ]
782 C4* O4* C5* C3*
783 C3* C2* O3* C4*
784 C1* N9 O4* C2*
785 N9 C8 C4 C1*
786 C4 N9 C8 N7
787 C8 N9 C4 C5
788 N9 C8 N7 C5
789 N9 C4 C5 N7
790 C8 N7 C5 C4
791 C4 N9 N3 C5
792 C5 C6 N7 C4
793 N3 C4 C5 C6
794 C4 C5 C6 N1
795 C5 C4 N3 C2
796 C5 C6 N1 C2
797 C4 N3 C2 N1
798 N3 C2 N1 C6
799 C6 C5 N1 N6
800 N6 H61 H62 C6
802 [ DCYT ]
803 [ atoms ]
804 P P 0.990 0
805 O1P OM -0.635 0
806 O2P OM -0.635 0
807 O5* OS -0.360 0
808 C5* CS2 0.000 1
809 C4* CS1 0.160 2
810 O4* OS -0.360 2
811 C1* CS1 0.200 2
812 N1 NR6* -0.200 3
813 C6 CR61 0.200 3
814 C2 CB 0.380 4
815 O2 O -0.380 4
816 N3 NR6 -0.360 5
817 C4 CB 0.360 5
818 N4 NT -0.830 6
819 H41 H 0.415 6
820 H42 H 0.415 6
821 C5 CR61 0.000 7
822 C2* CS2 0.000 8
823 C3* CS1 0.000 9
824 O3* OS -0.360 10
825 [ bonds ]
826 P O1P
827 P O2P
828 P O5*
829 O5* C5*
830 C5* C4*
831 C4* O4*
832 C4* C3*
833 O4* C1*
834 C1* N1
835 C1* C2*
836 N1 C6
837 N1 C2
838 C6 C5
839 C2 O2
840 C2 N3
841 N3 C4
842 C4 N4
843 C4 C5
844 N4 H41
845 N4 H42
846 C2* C3*
847 C3* O3*
848 -O3* P
849 [ impropers ]
850 C4* O4* C5* C3*
851 C3* C2* O3* C4*
852 C1* N1 O4* C2*
853 N1 C6 C2 C1*
854 C2 N1 C6 C5
855 C6 N1 C2 N3
856 N1 C6 C5 C4
857 N1 C2 N3 C4
858 C6 C5 C4 N3
859 C2 N3 C4 C5
860 C2 N3 N1 O2
861 C4 C5 N3 N4
862 N4 H41 H42 C4
864 [ DDPC ]
865 [ atoms ]
866 C1 CH3 0.124 0
867 C2 CH3 0.124 0
868 C3 CH3 0.124 0
869 N4 NL 0.004 0
870 C5 CH2 0.124 0
871 C6 CH2 0.000 1
872 O7 OS -0.180 2
873 P8 P 0.500 2
874 O9 OM -0.320 2
875 O10 OM -0.320 2
876 O11 OS -0.180 2
877 C12 CH2 0.000 3
878 C13 CH1 0.100 4
879 O14 OS -0.180 4
880 C15 C 0.270 4
881 O16 O -0.190 4
882 C17 CH2 0.000 5
883 C18 CH2 0.000 6
884 C19 CH2 0.000 7
885 C20 CH2 0.000 8
886 C21 CH2 0.000 9
887 C22 CH2 0.000 10
888 C23 CH2 0.000 11
889 C24 CH2 0.000 12
890 C25 CH3 0.000 13
891 C26 CH2 0.100 14
892 O27 OS -0.180 14
893 C28 C 0.270 14
894 O29 O -0.190 14
895 C30 CH2 0.000 15
896 C31 CH2 0.000 16
897 C32 CH2 0.000 17
898 C33 CH2 0.000 18
899 C34 CH2 0.000 19
900 C35 CH2 0.000 20
901 C36 CH2 0.000 21
902 C37 CH2 0.000 22
903 C38 CH3 0.000 23
904 [ bonds ]
905 C1 N4
906 C2 N4
907 C3 N4
908 N4 C5
909 C5 C6
910 C6 O7
911 O7 P8
912 P8 O9
913 P8 O10
914 P8 O11
915 O11 C12
916 C12 C13
917 C13 O14
918 O14 C15
919 C15 O16
920 C15 C17
921 C17 C18
922 C18 C19
923 C19 C20
924 C20 C21
925 C21 C22
926 C22 C23
927 C23 C24
928 C24 C25
929 C13 C26
930 C26 O27
931 O27 C28
932 C28 O29
933 C28 C30
934 C30 C31
935 C31 C32
936 C32 C33
937 C33 C34
938 C34 C35
939 C35 C36
940 C36 C37
941 C37 C38
942 [ impropers ]
943 C13 O14 C26 C12
944 C15 O14 C17 O16
945 C28 O27 C30 O29
947 [ DGUA ]
948 [ atoms ]
949 P P 0.990 0
950 O1P OM -0.635 0
951 O2P OM -0.635 0
952 O5* OS -0.360 0
953 C5* CS2 0.000 1
954 C4* CS1 0.160 2
955 O4* OS -0.360 2
956 C1* CS1 0.200 2
957 N9 NR5* -0.200 3
958 C4 CB 0.200 3
959 N3 NR6 -0.360 4
960 C2 CB 0.360 4
961 N2 NT -0.830 5
962 H21 H 0.415 5
963 H22 H 0.415 5
964 N1 NR6* -0.280 6
965 H1 H 0.280 6
966 C6 CB 0.380 7
967 O6 O -0.380 7
968 C5 CB 0.000 8
969 N7 NR5 -0.360 9
970 C8 CR51 0.360 9
971 C2* CS2 0.000 10
972 C3* CS1 0.000 11
973 O3* OS -0.360 12
974 [ bonds ]
975 P O1P
976 P O2P
977 P O5*
978 O5* C5*
979 C5* C4*
980 C4* O4*
981 C4* C3*
982 O4* C1*
983 C1* N9
984 C1* C2*
985 N9 C4
986 N9 C8
987 C4 N3
988 C4 C5
989 N3 C2
990 C2 N2
991 C2 N1
992 N2 H21
993 N2 H22
994 N1 H1
995 N1 C6
996 C6 O6
997 C6 C5
998 C5 N7
999 N7 C8
1000 C2* C3*
1001 C3* O3*
1002 -O3* P
1003 [ impropers ]
1004 C4* O4* C5* C3*
1005 C3* C2* O3* C4*
1006 C1* N9 O4* C2*
1007 N9 C8 C4 C1*
1008 C4 N9 C8 N7
1009 C8 N9 C4 C5
1010 N9 C8 N7 C5
1011 N9 C4 C5 N7
1012 C8 N7 C5 C4
1013 C4 N9 N3 C5
1014 C5 C6 N7 C4
1015 N3 C4 C5 C6
1016 C4 C5 C6 N1
1017 C5 C4 N3 C2
1018 C5 C6 N1 C2
1019 C4 N3 C2 N1
1020 N3 C2 N1 C6
1021 C2 N1 N3 N2
1022 N2 H21 H22 C2
1023 N1 C6 C2 H1
1024 C6 C5 N1 O6
1026 [ DHF ]
1027 [ atoms ]
1028 N1 NR6 -0.360 0
1029 C2 CB 0.360 0
1030 NA2 NT -0.830 1
1031 HA21 H 0.415 1
1032 HA22 H 0.415 1
1033 N3 NR6* -0.280 2
1034 HA3 H 0.280 2
1035 C4 CB 0.380 3
1036 OA4 O -0.380 3
1037 C4A CB 0.000 4
1038 N5 NR6 -0.360 5
1039 C6 CB 0.360 5
1040 C7 CS2 0.000 6
1041 N8 NR6* -0.280 7
1042 HA8 H 0.280 7
1043 C8A CB 0.000 8
1044 C9 CH2 0.000 9
1045 N10 NR6* -0.280 10
1046 H10 H 0.280 10
1047 C14 CB 0.000 11
1048 C13 CR61 0.000 12
1049 C15 CR61 0.000 13
1050 C12 CR61 0.000 14
1051 C16 CR61 0.000 15
1052 C11 CB 0.000 16
1053 C C 0.380 17
1054 O O -0.380 17
1055 N N -0.280 18
1056 H H 0.280 18
1057 CA CH1 0.000 19
1058 CB CH2 0.000 20
1059 CG CH2 0.000 21
1060 CD C 0.270 22
1061 OE1 OM -0.635 22
1062 OE2 OM -0.635 22
1063 CT C 0.270 23
1064 O1 OM -0.635 23
1065 O2 OM -0.635 23
1066 [ bonds ]
1067 N1 C2
1068 N1 C8A
1069 C2 NA2
1070 C2 N3
1071 NA2 HA21
1072 NA2 HA22
1073 N3 HA3
1074 N3 C4
1075 C4 OA4
1076 C4 C4A
1077 C4A N5
1078 C4A C8A
1079 N5 C6
1080 C6 C7
1081 C6 C9
1082 C7 N8
1083 N8 HA8
1084 N8 C8A
1085 C9 N10
1086 N10 H10
1087 N10 C14
1088 C14 C13
1089 C14 C15
1090 C13 C12
1091 C15 C16
1092 C12 C11
1093 C16 C11
1094 C11 C
1095 C O
1096 C N
1097 N H
1098 N CA
1099 CA CB
1100 CA CT
1101 CB CG
1102 CG CD
1103 CD OE1
1104 CD OE2
1105 CT O1
1106 CT O2
1107 [ impropers ]
1108 C2 N1 N3 NA2
1109 NA2 HA21 HA22 C2
1110 N3 C2 C4 HA3
1111 C4 N3 C4A OA4
1112 N1 C2 N3 C4
1113 C2 N3 C4 C4A
1114 N3 C4 C4A C8A
1115 C4 C4A C8A N1
1116 C4A C8A N1 C2
1117 C8A N1 C2 N3
1118 C4A C4 N5 C8A
1119 C8A N1 N8 C4A
1120 C4A N5 C6 C7
1121 N5 C6 C7 N8
1122 C6 C7 N8 C8A
1123 C7 N8 C8A C4A
1124 N8 C8A C4A N5
1125 C8A C4A N5 C6
1126 N8 C7 C8A HA8
1127 C6 N5 C7 C9
1128 N10 C9 C14 H10
1129 C14 C13 C15 N10
1130 C14 C13 C12 C11
1131 C14 C15 C16 C11
1132 C13 C14 C15 C16
1133 C15 C14 C13 C12
1134 C13 C12 C11 C16
1135 C15 C16 C11 C12
1136 C11 C12 C16 C
1137 C C11 N O
1138 N C CA H
1139 CA N CT CB
1140 CD OE1 OE2 CG
1141 CT CA O2 O1
1143 [ DMSO ]
1144 [ atoms ]
1145 DS S 0.540 0
1146 DO O -0.540 0
1147 DC1 CH3 0.000 1
1148 DC2 CH3 0.000 2
1149 [ bonds ]
1150 DS DO
1151 DS DC1
1152 DS DC2
1154 [ DPPC ]
1155 [ atoms ]
1156 C1 CH3 0.124 0
1157 C2 CH3 0.124 0
1158 C3 CH3 0.124 0
1159 N4 NL 0.004 0
1160 C5 CH2 0.124 0
1161 C6 CH2 0.000 1
1162 O7 OS -0.180 2
1163 P8 P 0.500 2
1164 O9 OM -0.320 2
1165 O10 OM -0.320 2
1166 O11 OS -0.180 2
1167 C12 CH2 0.000 3
1168 C13 CH1 0.100 4
1169 O14 OS -0.180 4
1170 C15 C 0.270 4
1171 O16 O -0.190 4
1172 C17 CH2 0.000 5
1173 C18 CH2 0.000 6
1174 C19 CH2 0.000 7
1175 C20 CH2 0.000 8
1176 C21 CH2 0.000 9
1177 C22 CH2 0.000 10
1178 C23 CH2 0.000 11
1179 C24 CH2 0.000 12
1180 C25 CH2 0.000 13
1181 C26 CH2 0.000 14
1182 C27 CH2 0.000 15
1183 C28 CH2 0.000 16
1184 C29 CH2 0.000 17
1185 C30 CH2 0.000 18
1186 C31 CH3 0.000 19
1187 C32 CH2 0.100 20
1188 O33 OS -0.180 20
1189 C34 C 0.270 20
1190 O35 O -0.190 20
1191 C36 CH2 0.000 21
1192 C37 CH2 0.000 22
1193 C38 CH2 0.000 23
1194 C39 CH2 0.000 24
1195 C40 CH2 0.000 25
1196 C41 CH2 0.000 26
1197 C42 CH2 0.000 27
1198 C43 CH2 0.000 28
1199 C44 CH2 0.000 29
1200 C45 CH2 0.000 30
1201 C46 CH2 0.000 31
1202 C47 CH2 0.000 32
1203 C48 CH2 0.000 33
1204 C49 CH2 0.000 34
1205 C50 CH3 0.000 35
1206 [ bonds ]
1207 C1 N4
1208 C2 N4
1209 C3 N4
1210 N4 C5
1211 C5 C6
1212 C6 O7
1213 O7 P8
1214 P8 O9
1215 P8 O10
1216 P8 O11
1217 O11 C12
1218 C12 C13
1219 C13 O14
1220 O14 C15
1221 C15 O16
1222 C15 C17
1223 C17 C18
1224 C18 C19
1225 C19 C20
1226 C20 C21
1227 C21 C22
1228 C22 C23
1229 C23 C24
1230 C24 C25
1231 C25 C26
1232 C26 C27
1233 C27 C28
1234 C28 C29
1235 C29 C30
1236 C30 C31
1237 C13 C32
1238 C32 O33
1239 O33 C34
1240 C34 O35
1241 C34 C36
1242 C36 C37
1243 C37 C38
1244 C38 C39
1245 C39 C40
1246 C40 C41
1247 C41 C42
1248 C42 C43
1249 C43 C44
1250 C44 C45
1251 C45 C46
1252 C46 C47
1253 C47 C48
1254 C48 C49
1255 C49 C50
1256 [ impropers ]
1257 C13 O14 C32 C12
1258 C15 O14 C17 O16
1259 C34 O33 C36 O35
1261 [ DTHY ]
1262 [ atoms ]
1263 P P 0.990 0
1264 O1P OM -0.635 0
1265 O2P OM -0.635 0
1266 O5* OS -0.360 0
1267 C5* CS2 0.000 1
1268 C4* CS1 0.160 2
1269 O4* OS -0.360 2
1270 C1* CS1 0.200 2
1271 N1 NR6* -0.200 3
1272 C6 CR61 0.200 3
1273 C2 CB 0.380 4
1274 O2 O -0.380 4
1275 N3 NR6* -0.280 5
1276 H3 H 0.280 5
1277 C4 CB 0.380 6
1278 O4 O -0.380 6
1279 C5 CB 0.000 7
1280 C5M CH3 0.000 8
1281 C2* CS2 0.000 9
1282 C3* CS1 0.000 10
1283 O3* OS -0.360 11
1284 [ bonds ]
1285 P O1P
1286 P O2P
1287 P O5*
1288 O5* C5*
1289 C5* C4*
1290 C4* O4*
1291 C4* C3*
1292 O4* C1*
1293 C1* N1
1294 C1* C2*
1295 N1 C6
1296 N1 C2
1297 C6 C5
1298 C2 O2
1299 C2 N3
1300 N3 H3
1301 N3 C4
1302 C4 O4
1303 C4 C5
1304 C5 C5M
1305 C2* C3*
1306 C3* O3*
1307 -O3* P
1308 [ impropers ]
1309 C4* O4* C5* C3*
1310 C3* C2* O3* C4*
1311 C1* N1 O4* C2*
1312 N1 C6 C2 C1*
1313 C2 N1 C6 C5
1314 C6 N1 C2 N3
1315 N1 C6 C5 C4
1316 N1 C2 N3 C4
1317 C6 C5 C4 N3
1318 C2 N3 C4 C5
1319 C2 N3 N1 O2
1320 N3 C4 C2 H3
1321 C4 C5 N3 O4
1322 C5 C6 C4 C5M
1324 [ ETH ]
1325 [ atoms ]
1326 EO OM -0.600 0
1327 EC1 CH2 -0.400 0
1328 EC2 CH3 0.000 1
1329 [ bonds ]
1330 EO EC1
1331 EC1 EC2
1333 [ ETHH ]
1334 [ atoms ]
1335 EH HO 0.398 0
1336 EO OA -0.548 0
1337 EC1 CH2 0.150 0
1338 EC2 CH3 0.000 1
1339 [ bonds ]
1340 EH EO
1341 EO EC1
1342 EC1 EC2
1344 [ F ]
1345 [ atoms ]
1346 F F -1.000 0
1348 [ FAD ]
1349 [ atoms ]
1350 AP P 1.560 0
1351 AO1 OM -1.000 0
1352 AO2 OM -1.000 0
1353 AO5* OS -0.560 0
1354 AC5* CS2 0.000 1
1355 AC4* CS1 0.160 2
1356 AO4* OS -0.360 2
1357 AC1* CS1 0.200 2
1358 AN9 NR5* -0.200 3
1359 AC4 CB 0.200 3
1360 AN3 NR6 -0.360 4
1361 AC2 CR61 0.360 4
1362 AN1 NR6 -0.360 5
1363 AC6 CB 0.360 5
1364 AN6 NT -0.830 6
1365 HN61 H 0.415 6
1366 HN62 H 0.415 6
1367 AC5 CB 0.000 7
1368 AN7 NR5 -0.360 8
1369 AC8 CR51 0.360 8
1370 AC2* CS1 0.150 9
1371 AO2* OA -0.548 9
1372 HO2* HO 0.398 9
1373 AC3* CS1 0.150 10
1374 AO3* OA -0.548 10
1375 HO3* HO 0.398 10
1376 O3 OS 0.000 11
1377 P P 1.560 12
1378 OP1 OM -1.000 12
1379 OP2 OM -1.000 12
1380 O5* OS -0.560 12
1381 C5* CH2 0.000 13
1382 C4* CH1 0.150 14
1383 O4* OA -0.548 14
1384 H4* HO 0.398 14
1385 C3* CH1 0.150 15
1386 O3* OA -0.548 15
1387 H3* HO 0.398 15
1388 C2* CH1 0.150 16
1389 O2* OA -0.548 16
1390 H2* HO 0.398 16
1391 C1* CH2 0.000 17
1392 N10 NR6* -0.200 18
1393 C9A CB 0.200 18
1394 C10 CB 0.360 19
1395 N1 NR6 -0.360 19
1396 C9 CB 0.000 20
1397 C8 CB 0.000 21
1398 C8M CH3 0.000 22
1399 C7 CB 0.000 23
1400 C7M CH3 0.000 24
1401 C6 CR61 0.000 25
1402 C5A CB 0.100 26
1403 N5 NR6 -0.280 26
1404 C4A CB 0.180 26
1405 C4 C 0.380 27
1406 O4 O -0.380 27
1407 N3 NR6* -0.280 28
1408 H3 H 0.280 28
1409 C2 C 0.380 29
1410 O2 O -0.380 29
1411 [ bonds ]
1412 AP AO1
1413 AP AO2
1414 AP AO5*
1415 AO5* AC5*
1416 AC5* AC4*
1417 AC4* AO4*
1418 AC4* AC3*
1419 AO4* AC1*
1420 AC1* AN9
1421 AC1* AC2*
1422 AN9 AC4
1423 AN9 AC8
1424 AC4 AN3
1425 AC4 AC5
1426 AN3 AC2
1427 AC2 AN1
1428 AN1 AC6
1429 AC6 AN6
1430 AC6 AC5
1431 AN6 AH61
1432 AN6 AH62
1433 AC5 AN7
1434 AN7 AC8
1435 AC2* AO2*
1436 AC2* AC3*
1437 AO2* HO2*
1438 AC3* AO3*
1439 AO3* HO3*
1440 N1 C2
1441 C2 O2
1442 C2 N3
1443 N3 H3
1444 N3 C4
1445 C4 O4
1446 C4 C4A
1447 C4A C10
1448 C4A N5
1449 N5 C5A
1450 C5A C9A
1451 C5A C6
1452 C6 C7
1453 C7 C7M
1454 C7 C8
1455 C8 C8M
1456 C8 C9
1457 C9 C9A
1458 C9A N10
1459 N10 C1*
1460 N10 C10
1461 C10 C1
1462 C1* C2*
1463 C2* O2*
1464 C2* C3*
1465 O2* H2*
1466 C3* O3*
1467 C3* C4*
1468 O3* H3*
1469 C4* O4*
1470 C4* C5*
1471 O4* H4*
1472 C5* O5*
1473 O5* P
1474 P OP1
1475 P OP2
1476 P O3
1477 O3 Ap
1478 [ impropers ]
1479 AC4* AO4* AC5* AC3*
1480 AC3* AC2* AO3* AC4*
1481 AC1* AN9 AO4* AC2*
1482 AN9 AC8 AC4 AC1*
1483 AC4 AN9 AC8 AN7
1484 AC8 AN9 AC4 AC5
1485 AN9 AC8 AN7 AC5
1486 AN9 AC4 AC5 AN7
1487 AC8 AN7 AC5 AC4
1488 AC4 AN9 AN3 AC5
1489 AC5 AC6 AN7 AC4
1490 AN3 AC4 AC5 AC6
1491 AC4 AC5 AC6 AN1
1492 AC5 AC4 AN3 AC2
1493 AC5 AC6 AN1 AC2
1494 AC4 AN3 AC2 AN1
1495 AN3 AC2 AN1 AC6
1496 AC6 AC5 AN1 AN6
1497 AN6 AH61 AH62 AC6
1498 AC2* AO2* AC3* AC1*
1499 AC3* AO3* AC2* AC4*
1500 C2 N3 C4 C4A
1501 C2 N1 N3 O2
1502 N3 C2 C4 H3
1503 C4 N3 C4A O4
1504 N1 C2 N3 C4
1505 N3 C4 C4A C10
1506 C4 C4A C10 N1
1507 C4A C10 N1 C2
1508 C10 N1 C2 N3
1509 C4A C4 N5 C10
1510 C10 N1 N10 C4A
1511 N10 C10 C4A N5
1512 N10 C9A C5A N5
1513 C5A N5 C6 C9A
1514 C9A N10 C9 C5A
1515 C5A C6 C7 C8
1516 C6 C7 C8 C9
1517 C7 C8 C9 C9A
1518 C8 C9 C9A C5A
1519 C9 C9A C5A C6
1520 C9A C5A C6 C7
1521 C7 C6 C8 CM7
1522 C8 C7 C9 CM8
1523 N10 C10 C9A C1*
1525 [ FMNO ]
1526 [ atoms ]
1527 FC9A CB 0.200 0
1528 FN10 NR6* -0.200 0
1529 FC10A CB 0.360 1
1530 FN1 NR6 -0.360 1
1531 FC2 CB 0.380 2
1532 FO2 O -0.380 2
1533 FN3 NR6* -0.280 3
1534 FH3 H 0.280 3
1535 FC4 CB 0.380 4
1536 FO4 O -0.380 4
1537 FC4A CB 0.180 5
1538 FN5 NR6 -0.280 5
1539 FC5A CB 0.100 5
1540 FC6 CR61 0.000 6
1541 FC7 CB 0.000 7
1542 FCM7 CH3 0.000 8
1543 FC8 CB 0.000 9
1544 FCM8 CH3 0.000 10
1545 FC9 CR61 0.000 11
1546 FCA CH2 0.000 12
1547 FCB CH1 0.150 13
1548 FOB OA -0.548 13
1549 FHB HO 0.398 13
1550 FCG CH1 0.150 14
1551 FOG OA -0.548 14
1552 FHG HO 0.398 14
1553 FCD CH1 0.150 15
1554 FOD OA -0.548 15
1555 FHD HO 0.398 15
1556 FCE CH2 0.150 16
1557 FOZ OS -0.360 16
1558 FPH P 0.630 16
1559 FOH OA -0.548 16
1560 FHH HO 0.398 16
1561 FOT1 OM -0.635 16
1562 FOT2 OM -0.635 16
1563 [ bonds ]
1564 FC9A FN10
1565 FC9A FC5A
1566 FC9A FC9
1567 FN10 FC10A
1568 FN10 FCA
1569 FC10A FN1
1570 FC10A FC4A
1571 FN1 FC2
1572 FC2 FO2
1573 FC2 FN3
1574 FN3 FH3
1575 FN3 FC4
1576 FC4 FO4
1577 FC4 FC4A
1578 FC4A FN5
1579 FN5 FC5A
1580 FC5A FC6
1581 FC6 FC7
1582 FC7 FCM7
1583 FC7 FC8
1584 FC8 FCM8
1585 FC8 FC9
1586 FCA FCB
1587 FCB FOB
1588 FCB FCG
1589 FOB FHB
1590 FCG FOG
1591 FCG FCD
1592 FOG FHG
1593 FCD FOD
1594 FCD FCE
1595 FOD FHD
1596 FCE FOZ
1597 FOZ FPH
1598 FPH FOH
1599 FPH FOT1
1600 FPH FOT2
1601 FOH FHH
1602 [ impropers ]
1603 FC2 FN1 FN3 FO2
1604 FN3 FC2 FC4 FH3
1605 FC4 FN3 FC4A FO4
1606 FN1 FC2 FN3 FC4
1607 FC2 FN3 FC4 FC4A
1608 FN3 FC4 FC4A FC10A
1609 FC4 FC4A FC10A FN1
1610 FC4A FC10A FN1 FC2
1611 FC10A FN1 FC2 FN3
1612 FC4A FC4 FN5 FC10A
1613 FC10A FN1 FN10 FC4A
1614 FN10 FC10A FC4A FN5
1615 FN10 FC9A FC5A FN5
1616 FC5A FN5 FC6 FC9A
1617 FC9A FN10 FC9 FC5A
1618 FC5A FC6 FC7 FC8
1619 FC6 FC7 FC8 FC9
1620 FC7 FC8 FC9 FC9A
1621 FC8 FC9 FC9A FC5A
1622 FC9 FC9A FC5A FC6
1623 FC9A FC5A FC6 FC7
1624 FC7 FC6 FC8 FCM7
1625 FC8 FC7 FC9 FCM8
1626 FCB FOB FCG FCA
1627 FCG FOG FCD FCB
1628 FCD FOD FCE FCG
1630 [ FMNR ]
1631 [ atoms ]
1632 FC9A CB 0.100 0
1633 FN10 NR6* -0.200 0
1634 FC10A CB 0.100 0
1635 FN1 NR6* -0.280 1
1636 FH1 H 0.280 1
1637 FC2 CB 0.380 2
1638 FO2 O -0.380 2
1639 FN3 NR6* -0.280 3
1640 FH3 H 0.280 3
1641 FC4 CB 0.380 4
1642 FO4 O -0.380 4
1643 FC4A CB 0.000 5
1644 FN5 NR6* -0.280 6
1645 FH5 H 0.280 6
1646 FC5A CB 0.000 7
1647 FC6 CR61 0.000 8
1648 FC7 CB 0.000 9
1649 FCM7 CH3 0.000 10
1650 FC8 CB 0.000 11
1651 FCM8 CH3 0.000 12
1652 FC9 CR61 0.000 13
1653 FCA CH2 0.000 14
1654 FCB CH1 0.150 15
1655 FOB OA -0.548 15
1656 FHB HO 0.398 15
1657 FCG CH1 0.150 16
1658 FOG OA -0.548 16
1659 FHG HO 0.398 16
1660 FCD CH1 0.150 17
1661 FOD OA -0.548 17
1662 FHD HO 0.398 17
1663 FCE CH2 0.150 18
1664 FOZ OS -0.360 18
1665 FPH P 0.630 18
1666 FOH OA -0.548 18
1667 FHH HO 0.398 18
1668 FOT1 OM -0.635 18
1669 FOT2 OM -0.635 18
1670 [ bonds ]
1671 FC9A FN10
1672 FC9A FC5A
1673 FC9A FC9
1674 FN10 FC10A
1675 FN10 FCA
1676 FC10A FN1
1677 FC10A FC4A
1678 FN1 FH1
1679 FN1 FC2
1680 FC2 FO2
1681 FC2 FN3
1682 FN3 FH3
1683 FN3 FC4
1684 FC4 FO4
1685 FC4 FC4A
1686 FC4A FN5
1687 FN5 FH5
1688 FN5 FC5A
1689 FC5A FC6
1690 FC6 FC7
1691 FC7 FCM7
1692 FC7 FC8
1693 FC8 FCM8
1694 FC8 FC9
1695 FCA FCB
1696 FCB FOB
1697 FCB FCG
1698 FOB FHB
1699 FCG FOG
1700 FCG FCD
1701 FOG FHG
1702 FCD FOD
1703 FCD FCE
1704 FOD FHD
1705 FCE FOZ
1706 FOZ FPH
1707 FPH FOH
1708 FPH FOT1
1709 FPH FOT2
1710 FOH FHH
1711 [ impropers ]
1712 FN1 FC10A FC2 FH1
1713 FC2 FN1 FN3 FO2
1714 FN3 FC2 FC4 FH3
1715 FC4 FN3 FC4A FO4
1716 FN1 FC2 FN3 FC4
1717 FC2 FN3 FC4 FC4A
1718 FN3 FC4 FC4A FC10A
1719 FC4 FC4A FC10A FN1
1720 FC4A FC10A FN1 FC2
1721 FC10A FN1 FC2 FN3
1722 FC4A FC4 FN5 FC10A
1723 FC10A FN1 FN10 FC4A
1724 FN10 FC10A FC4A FN5
1725 FN10 FC9A FC5A FN5
1726 FC5A FN5 FC6 FC9A
1727 FC9A FN10 FC9 FC5A
1728 FC5A FC6 FC7 FC8
1729 FC6 FC7 FC8 FC9
1730 FC7 FC8 FC9 FC9A
1731 FC8 FC9 FC9A FC5A
1732 FC9 FC9A FC5A FC6
1733 FC9A FC5A FC6 FC7
1734 FC7 FC6 FC8 FCM7
1735 FC8 FC7 FC9 FCM8
1736 FCB FOB FCG FCA
1737 FCG FOG FCD FCB
1738 FCD FOD FCE FCG
1740 [ FMNS ]
1741 [ atoms ]
1742 FC9A CB 0.200 0
1743 FN10 NR6* -0.200 0
1744 FC10A CB 0.360 1
1745 FN1 NR6 -0.360 1
1746 FC2 CB 0.380 2
1747 FO2 O -0.380 2
1748 FN3 NR6* -0.280 3
1749 FH3 H 0.280 3
1750 FC4 CB 0.380 4
1751 FO4 O -0.380 4
1752 FC4A CB 0.000 5
1753 FN5 NR6* -0.280 6
1754 FH5 H 0.280 6
1755 FC5A CB 0.000 7
1756 FC6 CR61 0.000 8
1757 FC7 CB 0.000 9
1758 FCM7 CH3 0.000 10
1759 FC8 CB 0.000 11
1760 FCM8 CH3 0.000 12
1761 FC9 CR61 0.000 13
1762 FCA CH2 0.000 14
1763 FCB CH1 0.150 15
1764 FOB OA -0.548 15
1765 FHB HO 0.398 15
1766 FCG CH1 0.150 16
1767 FOG OA -0.548 16
1768 FHG HO 0.398 16
1769 FCD CH1 0.150 17
1770 FOD OA -0.548 17
1771 FHD HO 0.398 17
1772 FCE CH2 0.150 18
1773 FOZ OS -0.360 18
1774 FPH P 0.630 18
1775 FOH OA -0.548 18
1776 FHH HO 0.398 18
1777 FOT1 OM -0.635 18
1778 FOT2 OM -0.635 18
1779 [ bonds ]
1780 FC9A FN10
1781 FC9A FC5A
1782 FC9A FC9
1783 FN10 FC10A
1784 FN10 FCA
1785 FC10A FN1
1786 FC10A FC4A
1787 FN1 FC2
1788 FC2 FO2
1789 FC2 FN3
1790 FN3 FH3
1791 FN3 FC4
1792 FC4 FO4
1793 FC4 FC4A
1794 FC4A FN5
1795 FN5 FH5
1796 FN5 FC5A
1797 FC5A FC6
1798 FC6 FC7
1799 FC7 FCM7
1800 FC7 FC8
1801 FC8 FCM8
1802 FC8 FC9
1803 FCA FCB
1804 FCB FOB
1805 FCB FCG
1806 FOB FHB
1807 FCG FOG
1808 FCG FCD
1809 FOG FHG
1810 FCD FOD
1811 FCD FCE
1812 FOD FHD
1813 FCE FOZ
1814 FOZ FPH
1815 FPH FOH
1816 FPH FOT1
1817 FPH FOT2
1818 FOH FHH
1819 [ impropers ]
1820 FC2 FN1 FN3 FO2
1821 FN3 FC2 FC4 FH3
1822 FC4 FN3 FC4A FO4
1823 FN1 FC2 FN3 FC4
1824 FC2 FN3 FC4 FC4A
1825 FN3 FC4 FC4A FC10A
1826 FC4 FC4A FC10A FN1
1827 FC4A FC10A FN1 FC2
1828 FC10A FN1 FC2 FN3
1829 FC4A FC4 FN5 FC10A
1830 FC10A FN1 FN10 FC4A
1831 FN10 FC10A FC4A FN5
1832 FN10 FC9A FC5A FN5
1833 FC5A FN5 FC6 FC9A
1834 FC9A FN10 FC9 FC5A
1835 FC5A FC6 FC7 FC8
1836 FC6 FC7 FC8 FC9
1837 FC7 FC8 FC9 FC9A
1838 FC8 FC9 FC9A FC5A
1839 FC9 FC9A FC5A FC6
1840 FC9A FC5A FC6 FC7
1841 FC7 FC6 FC8 FCM7
1842 FC8 FC7 FC9 FCM8
1843 FCB FOB FCG FCA
1844 FCG FOG FCD FCB
1845 FCD FOD FCE FCG
1847 [ FOL ]
1848 [ atoms ]
1849 N1 NR6 -0.360 0
1850 C2 CB 0.360 0
1851 NA2 NT -0.830 1
1852 HA21 H 0.415 1
1853 HA22 H 0.415 1
1854 N3 NR6* -0.280 2
1855 HA3 H 0.280 2
1856 C4 CB 0.380 3
1857 OA4 O -0.380 3
1858 C4A CB 0.000 4
1859 N5 NR6 -0.360 5
1860 C6 CB 0.360 5
1861 C7 CR61 0.360 6
1862 N8 NR6 -0.360 6
1863 C8A CB 0.000 7
1864 C9 CH2 0.000 8
1865 N10 NR6* -0.280 9
1866 H10 H 0.280 9
1867 C14 CB 0.000 10
1868 C13 CR61 0.000 11
1869 C15 CR61 0.000 12
1870 C12 CR61 0.000 13
1871 C16 CR61 0.000 14
1872 C11 CB 0.000 15
1873 C C 0.380 16
1874 O O -0.380 16
1875 N N -0.280 17
1876 H H 0.280 17
1877 CA CH1 0.000 18
1878 CB CH2 0.000 19
1879 CG CH2 0.000 20
1880 CD C 0.270 21
1881 OE1 OM -0.635 21
1882 OE2 OM -0.635 21
1883 CT C 0.270 22
1884 O1 OM -0.635 22
1885 O2 OM -0.635 22
1886 [ bonds ]
1887 N1 C2
1888 N1 C8A
1889 C2 NA2
1890 C2 N3
1891 NA2 HA21
1892 NA2 HA22
1893 N3 HA3
1894 N3 C4
1895 C4 OA4
1896 C4 C4A
1897 C4A N5
1898 C4A C8A
1899 N5 C6
1900 C6 C7
1901 C6 C9
1902 C7 N8
1903 N8 C8A
1904 C9 N10
1905 N10 H10
1906 N10 C14
1907 C14 C13
1908 C14 C15
1909 C13 C12
1910 C15 C16
1911 C12 C11
1912 C16 C11
1913 C11 C
1914 C O
1915 C N
1916 N H
1917 N CA
1918 CA CB
1919 CA CT
1920 CB CG
1921 CG CD
1922 CD OE1
1923 CD OE2
1924 CT O1
1925 CT O2
1926 [ impropers ]
1927 C2 N1 N3 NA2
1928 NA2 HA21 HA22 C2
1929 N3 C2 C4 HA3
1930 C4 N3 C4A OA4
1931 N1 C2 N3 C4
1932 C2 N3 C4 C4A
1933 N3 C4 C4A C8A
1934 C4 C4A C8A N1
1935 C4A C8A N1 C2
1936 C8A N1 C2 N3
1937 C4A C4 N5 C8A
1938 C8A N1 N8 C4A
1939 C4A N5 C6 C7
1940 N5 C6 C7 N8
1941 C6 C7 N8 C8A
1942 C7 N8 C8A C4A
1943 N8 C8A C4A N5
1944 C8A C4A N5 C6
1945 C6 N5 C7 C9
1946 N10 C9 C14 H10
1947 C14 C13 C15 N10
1948 C14 C13 C12 C11
1949 C14 C15 C16 C11
1950 C13 C14 C15 C16
1951 C15 C14 C13 C12
1952 C13 C12 C11 C16
1953 C15 C16 C11 C12
1954 C11 C12 C16 C
1955 C C11 N O
1956 N C CA H
1957 CA N CT CB
1958 CD OE1 OE2 CG
1959 CT CA O2 O1
1961 [ GALB ]
1962 [ atoms ]
1963 C1 CS1 0.400 0
1964 O5 OS -0.360 0
1965 C5 CS1 0.160 0
1966 C6 CS2 0.150 1
1967 O6 OA -0.548 1
1968 H6 HO 0.398 1
1969 C2 CS1 0.150 2
1970 O2 OA -0.548 2
1971 H2 HO 0.398 2
1972 C4 CS1 0.150 3
1973 O4 OA -0.548 3
1974 H4 HO 0.398 3
1975 C3 CS1 0.160 4
1976 O3 OS -0.360 4
1977 [ bonds ]
1978 C1 O5
1979 C1 C2
1980 O5 C5
1981 C5 C6
1982 C5 C4
1983 C6 O6
1984 O6 H6
1985 C2 O2
1986 C2 C3
1987 O2 H2
1988 C4 O4
1989 C4 C3
1990 O4 H4
1991 C3 O3
1992 -O3 C1
1993 [ impropers ]
1994 C1 -O3 O5 C2
1995 C5 O5 C6 C4
1996 C2 O2 C3 C1
1997 C4 O4 C3 C5
1998 C3 O3 C2 C4
2000 [ GLCA ]
2001 [ atoms ]
2002 C1 CS1 0.400 0
2003 O5 OS -0.360 0
2004 C5 CS1 0.160 0
2005 C6 CS2 0.150 1
2006 O6 OA -0.548 1
2007 H6 HO 0.398 1
2008 C2 CS1 0.150 2
2009 O2 OA -0.548 2
2010 H2 HO 0.398 2
2011 C3 CS1 0.150 3
2012 O3 OA -0.548 3
2013 H3 HO 0.398 3
2014 C4 CS1 0.160 4
2015 O4 OS -0.360 4
2016 [ bonds ]
2017 C1 O5
2018 C1 C2
2019 O5 C5
2020 C5 C6
2021 C5 C4
2022 C6 O6
2023 O6 H6
2024 C2 O2
2025 C2 C3
2026 O2 H2
2027 C3 O3
2028 C3 C4
2029 O3 H3
2030 C4 O4
2031 -O4 C1
2032 [ impropers ]
2033 C1 O5 -O4 C2
2034 C5 O5 C6 C4
2035 C2 O2 C3 C1
2036 C3 O3 C2 C4
2037 C4 C3 O4 C5
2039 [ GLCB ]
2040 [ atoms ]
2041 C1 CS1 0.400 0
2042 O5 OS -0.360 0
2043 C5 CS1 0.160 0
2044 C6 CS2 0.150 1
2045 O6 OA -0.548 1
2046 H6 HO 0.398 1
2047 C3 CS1 0.150 2
2048 O3 OA -0.548 2
2049 H3 HO 0.398 2
2050 C4 CS1 0.150 3
2051 O4 OA -0.548 3
2052 H4 HO 0.398 3
2053 C2 CS1 0.160 4
2054 O2 OS -0.360 4
2055 [ bonds ]
2056 C1 O5
2057 C1 C2
2058 O5 C5
2059 C5 C6
2060 C5 C4
2061 C6 O6
2062 O6 H6
2063 C3 O3
2064 C3 C4
2065 C3 C2
2066 O3 H3
2067 C4 O4
2068 O4 H4
2069 C2 O2
2070 -O2 C1
2071 [ impropers ]
2072 C1 -O2 O5 C2
2073 C5 O5 C6 C4
2074 C3 O3 C2 C4
2075 C4 C3 O4 C5
2076 C2 O2 C3 C1
2078 [ GLN ]
2079 [ atoms ]
2080 N N -0.280 0
2081 H H 0.280 0
2082 CA CH1 0.000 1
2083 CB CH2 0.000 2
2084 CG CH2 0.000 3
2085 CD C 0.380 4
2086 OE1 O -0.380 4
2087 NE2 NT -0.830 5
2088 HE21 H 0.415 5
2089 HE22 H 0.415 5
2090 C C 0.380 6
2091 O O -0.380 6
2092 [ bonds ]
2093 N H
2094 N CA
2095 CA C
2096 C O
2097 -C N
2098 CA CB
2099 CB CG
2100 CG CD
2101 CD OE1
2102 CD NE2
2103 NE2 HE21
2104 NE2 HE22
2105 [ impropers ]
2106 N -C CA H
2107 -C -CA N -O
2108 CA N C CB
2109 CD OE1 NE2 CG
2110 NE2 HE21 HE22 CD
2112 [ GLU ]
2113 [ atoms ]
2114 N N -0.280 0
2115 H H 0.280 0
2116 CA CH1 0.000 1
2117 CB CH2 0.000 2
2118 CG CH2 0.000 3
2119 CD C 0.270 4
2120 OE1 OM -0.635 4
2121 OE2 OM -0.635 4
2122 C C 0.380 5
2123 O O -0.380 5
2124 [ bonds ]
2125 N H
2126 N CA
2127 CA C
2128 C O
2129 -C N
2130 CA CB
2131 CB CG
2132 CG CD
2133 CD OE1
2134 CD OE2
2135 [ impropers ]
2136 N -C CA H
2137 -C -CA N -O
2138 CA N C CB
2139 CD OE1 OE2 CG
2141 [ GLUH ]
2142 [ atoms ]
2143 N N -0.280 0
2144 H H 0.280 0
2145 CA CH1 0.000 1
2146 CB CH2 0.000 2
2147 CG CH2 0.000 3
2148 CD C 0.530 4
2149 OE1 O -0.380 4
2150 OE2 OA -0.548 4
2151 HE2 HO 0.398 4
2152 C C 0.380 5
2153 O O -0.380 5
2154 [ bonds ]
2155 N H
2156 N CA
2157 CA C
2158 C O
2159 -C N
2160 CA CB
2161 CB CG
2162 CG CD
2163 CD OE1
2164 CD OE2
2165 OE2 HE2
2166 [ impropers ]
2167 N -C CA H
2168 -C -CA N -O
2169 CA N C CB
2170 CD OE1 OE2 CG
2172 [ GLY ]
2173 [ atoms ]
2174 N N -0.280 0
2175 H H 0.280 0
2176 CA CH2 0.000 1
2177 C C 0.380 2
2178 O O -0.380 2
2179 [ bonds ]
2180 N H
2181 N CA
2182 CA C
2183 C O
2184 -C N
2185 [ impropers ]
2186 N -C CA H
2187 -C -CA N -O
2189 [ GUA ]
2190 [ atoms ]
2191 P P 0.990 0
2192 O1P OM -0.635 0
2193 O2P OM -0.635 0
2194 O5* OS -0.360 0
2195 C5* CS2 0.000 1
2196 C4* CS1 0.160 2
2197 O4* OS -0.360 2
2198 C1* CS1 0.200 2
2199 N9 NR5* -0.200 3
2200 C4 CB 0.200 3
2201 N3 NR6 -0.360 4
2202 C2 CB 0.360 4
2203 N2 NT -0.830 5
2204 H21 H 0.415 5
2205 H22 H 0.415 5
2206 N1 NR6* -0.280 6
2207 H1 H 0.280 6
2208 C6 CB 0.380 7
2209 O6 O -0.380 7
2210 C5 CB 0.000 8
2211 N7 NR5 -0.360 9
2212 C8 CR51 0.360 9
2213 C2* CS1 0.150 10
2214 O2* OA -0.548 10
2215 H2* HO 0.398 10
2216 C3* CS1 0.000 11
2217 O3* OS -0.360 12
2218 [ bonds ]
2219 P O1P
2220 P O2P
2221 P O5*
2222 O5* C5*
2223 C5* C4*
2224 C4* O4*
2225 C4* C3*
2226 O4* C1*
2227 C1* N9
2228 C1* C2*
2229 N9 C4
2230 N9 C8
2231 C4 N3
2232 C4 C5
2233 N3 C2
2234 C2 N2
2235 C2 N1
2236 N2 H21
2237 N2 H22
2238 N1 H1
2239 N1 C6
2240 C6 O6
2241 C6 C5
2242 C5 N7
2243 N7 C8
2244 C2* O2*
2245 C2* C3*
2246 O2* H2*
2247 C3* O3*
2248 -O3* P
2249 [ impropers ]
2250 C4* O4* C5* C3*
2251 C3* C2* O3* C4*
2252 C1* N9 O4* C2*
2253 N9 C8 C4 C1*
2254 C4 N9 C8 N7
2255 C8 N9 C4 C5
2256 N9 C8 N7 C5
2257 N9 C4 C5 N7
2258 C8 N7 C5 C4
2259 C4 N9 N3 C5
2260 C5 C6 N7 C4
2261 N3 C4 C5 C6
2262 C4 C5 C6 N1
2263 C5 C4 N3 C2
2264 C5 C6 N1 C2
2265 C4 N3 C2 N1
2266 N3 C2 N1 C6
2267 C2 N1 N3 N2
2268 N2 H21 H22 C2
2269 N1 C6 C2 H1
2270 C6 C5 N1 O6
2271 C2* O2* C3* C1*
2273 [ H2O ]
2274 [ atoms ]
2275 OW OW -0.820 0
2276 HW1 HW 0.410 0
2277 HW2 HW 0.410 0
2278 [ bonds ]
2279 OW HW1
2280 OW HW2
2282 [ HEME ]
2283 [ atoms ]
2284 FE FE 0.400 0
2285 NA NP -0.100 0
2286 NB NP -0.100 0
2287 NC NP -0.100 0
2288 ND NP -0.100 0
2289 CHA CR61 0.000 1
2290 C1A CHE 0.000 2
2291 C2A CHE 0.000 3
2292 C3A CHE 0.000 4
2293 C4A CHE 0.000 5
2294 CMA CH3 0.000 6
2295 CAA CH2 0.000 7
2296 CBA CH2 0.000 8
2297 CGA C 0.270 9
2298 O1A OM -0.635 9
2299 O2A OM -0.635 9
2300 CHB CR61 0.000 10
2301 C1B CHE 0.000 11
2302 C2B CHE 0.000 12
2303 C3B CHE 0.000 13
2304 C4B CHE 0.000 14
2305 CMB CH3 0.000 15
2306 CAB CR61 0.000 16
2307 CBB CH2 0.000 17
2308 CHC CR61 0.000 18
2309 C1C CHE 0.000 19
2310 C2C CHE 0.000 20
2311 C3C CHE 0.000 21
2312 C4C CHE 0.000 22
2313 CMC CH3 0.000 23
2314 CAC CR61 0.000 24
2315 CBC CH2 0.000 25
2316 CHD CR61 0.000 26
2317 C1D CHE 0.000 27
2318 C2D CHE 0.000 28
2319 C3D CHE 0.000 29
2320 C4D CHE 0.000 30
2321 CMD CH3 0.000 31
2322 CAD CH2 0.000 32
2323 CBD CH2 0.000 33
2324 CGD C 0.270 34
2325 O1D OM -0.635 34
2326 O2D OM -0.635 34
2327 [ bonds ]
2328 FE NA
2329 FE NB
2330 FE NC
2331 FE ND
2332 NA C1A
2333 C1A C2A
2334 C2A C3A
2335 C3A C4A
2336 NA C4A
2337 C2A CAA
2338 CAA CBA
2339 CBA CGA
2340 CGA O1A
2341 CGA O2A
2342 C3A CMA
2343 C4A CHB
2344 CHB C1B
2345 NB C1B
2346 C1B C2B
2347 C2B C3B
2348 C3B C4B
2349 NB C4B
2350 C2B CMB
2351 C3B CAB
2352 CAB CBB
2353 C4B CHC
2354 CHC C1C
2355 NC C1C
2356 C1C C2C
2357 C2C C3C
2358 C3C C4C
2359 NC C4C
2360 C2C CMC
2361 C3C CAC
2362 CAC CBC
2363 C4C CHD
2364 CHD C1D
2365 ND C1D
2366 C1D C2D
2367 C2D C3D
2368 C3D C4D
2369 ND C4D
2370 C2D CMD
2371 C3D CAD
2372 CAD CBD
2373 CBD CGD
2374 CGD O1D
2375 CGD O2D
2376 CHA C4D
2377 CHA C1A
2378 [ angles ]
2379 ; ai aj ak
2380 NA FE NC ANG_180_0
2381 NB FE ND ANG_180_0
2382 [ dihedrals ]
2383 ; ai aj ak al
2384 ND FE NA C1A DIH_0_0_2
2385 NA FE NB C1B DIH_0_0_2
2386 NB FE NC C1C DIH_0_0_2
2387 NC FE ND C1D DIH_0_0_2
2388 FE NA C1A CHA DIH_0_0_2
2389 FE NA C4A C3A DIH_0_0_2
2390 FE NB C1B CHB DIH_0_0_2
2391 FE NB C4B C3B DIH_0_0_2
2392 FE NC C1C CHC DIH_0_0_2
2393 FE NC C4C C3C DIH_0_0_2
2394 FE ND C1D CHD DIH_0_0_2
2395 FE ND C4D CHA DIH_0_0_2
2396 NA C1A C2A C3A DIH_0_0_2
2397 C1A C2A C3A C4A DIH_0_0_2
2398 C2A C3A C4A NA DIH_0_0_2
2399 NB C1B C2B C3B DIH_0_0_2
2400 C1B C2B C3B C4B DIH_0_0_2
2401 C2B C3B C4B NB DIH_0_0_2
2402 NC C1C C2C C3C DIH_0_0_2
2403 C1C C2C C3C C4C DIH_0_0_2
2404 C2C C3C C4C NC DIH_0_0_2
2405 ND C1D C2D C3D DIH_0_0_2
2406 C1D C2D C3D C4D DIH_0_0_2
2407 C2D C3D C4D ND DIH_0_0_2
2408 [ impropers ]
2409 FE C1A C4A NA
2410 FE C1B C4B NB
2411 FE C1C C4C NC
2412 FE C1D C4D ND
2413 CHA NA C2A C1A
2414 CHB NA C3A C4A
2415 CHB NB C2B C1B
2416 CHC NB C3B C4B
2417 CHC NC C2C C1C
2418 CHD NC C3C C4C
2419 CHD ND C2D C1D
2420 CHA ND C3D C4D
2421 C2A C1A C3A CAA
2422 C3A C2A C4A CMA
2423 C2B C1B C3B CMB
2424 C3B C2B C4B CAB
2425 C2C C1C C3C CMC
2426 C3C C2C C4C CAC
2427 C2D C1D C3D CMD
2428 C3D C2D C4D CAD
2429 CBA O1A O2A CGA
2430 CBD O1D O2D CGD
2432 [ HIS1 ]
2433 [ atoms ]
2434 N N -0.280 0
2435 H H 0.280 0
2436 CA CH1 0.000 1
2437 CB CH2 0.000 2
2438 CG CB 0.000 3
2439 ND1 NR5* 0.000 4
2440 HD1 H 0.190 5
2441 CD2 CR51 0.130 5
2442 CE1 CR51 0.260 5
2443 NE2 NR5 -0.580 5
2444 C C 0.380 6
2445 O O -0.380 6
2446 [ bonds ]
2447 N H
2448 N CA
2449 CA C
2450 C O
2451 -C N
2452 CA CB
2453 CB CG
2454 CG ND1
2455 CG CD2
2456 ND1 HD1
2457 ND1 CE1
2458 CD2 NE2
2459 CE1 NE2
2460 [ impropers ]
2461 N -C CA H
2462 -C -CA N -O
2463 CA N C CB
2464 CG ND1 CD2 CB
2465 CD2 CG ND1 CE1
2466 ND1 CG CD2 NE2
2467 CG ND1 CE1 NE2
2468 CG CD2 NE2 CE1
2469 CD2 NE2 CE1 ND1
2470 ND1 CG CE1 HD1
2472 [ HISA ]
2473 [ atoms ]
2474 N N -0.280 0
2475 H H 0.280 0
2476 CA CH1 0.000 1
2477 CB CH2 0.000 2
2478 CG CB 0.000 3
2479 ND1 NR5* 0.000 4
2480 HD1 H 0.190 5
2481 CD2 CR51 0.130 5
2482 CE1 CR51 0.260 5
2483 NE2 NR5 -0.580 5
2484 C C 0.380 6
2485 O O -0.380 6
2486 [ bonds ]
2487 N H
2488 N CA
2489 CA C
2490 C O
2491 -C N
2492 CA CB
2493 CB CG
2494 CG ND1
2495 CG CD2
2496 ND1 HD1
2497 ND1 CE1
2498 CD2 NE2
2499 CE1 NE2
2500 [ impropers ]
2501 N -C CA H
2502 -C -CA N -O
2503 CA N C CB
2504 CG ND1 CD2 CB
2505 CD2 CG ND1 CE1
2506 ND1 CG CD2 NE2
2507 CG ND1 CE1 NE2
2508 CG CD2 NE2 CE1
2509 CD2 NE2 CE1 ND1
2510 ND1 CG CE1 HD1
2512 [ HISB ]
2513 [ atoms ]
2514 N N -0.280 0
2515 H H 0.280 0
2516 CA CH1 0.000 1
2517 CB CH2 0.000 2
2518 CG CB 0.130 3
2519 ND1 NR5 -0.580 3
2520 CD2 CR51 0.000 3
2521 CE1 CR51 0.260 3
2522 NE2 NR5* 0.000 3
2523 HE2 H 0.190 3
2524 C C 0.380 4
2525 O O -0.380 4
2526 [ bonds ]
2527 N H
2528 N CA
2529 CA C
2530 C O
2531 -C N
2532 CA CB
2533 CB CG
2534 CG ND1
2535 CG CD2
2536 ND1 CE1
2537 CD2 NE2
2538 CE1 NE2
2539 NE2 HE2
2540 [ impropers ]
2541 N -C CA H
2542 -C -CA N -O
2543 CA N C CB
2544 CG ND1 CD2 CB
2545 CD2 CG ND1 CE1
2546 ND1 CG CD2 NE2
2547 CG ND1 CE1 NE2
2548 CG CD2 NE2 CE1
2549 CD2 NE2 CE1 ND1
2550 NE2 CD2 CE1 HE2
2552 [ HISH ]
2553 [ atoms ]
2554 N N -0.280 0
2555 H H 0.280 0
2556 CA CH1 0.000 1
2557 CB CH2 0.000 2
2558 CG CB -0.050 3
2559 ND1 NR5* 0.380 3
2560 HD1 H 0.300 3
2561 CD2 CR51 0.000 3
2562 CE1 CR51 -0.240 3
2563 NE2 NR5* 0.310 3
2564 HE2 H 0.300 3
2565 C C 0.380 4
2566 O O -0.380 4
2567 [ bonds ]
2568 N H
2569 N CA
2570 CA C
2571 C O
2572 -C N
2573 CA CB
2574 CB CG
2575 CG ND1
2576 CG CD2
2577 ND1 HD1
2578 ND1 CE1
2579 CD2 NE2
2580 CE1 NE2
2581 NE2 HE2
2582 [ impropers ]
2583 N -C CA H
2584 -C -CA N -O
2585 CA N C CB
2586 CG ND1 CD2 CB
2587 CD2 CG ND1 CE1
2588 ND1 CG CD2 NE2
2589 CG ND1 CE1 NE2
2590 CG CD2 NE2 CE1
2591 CD2 NE2 CE1 ND1
2592 ND1 CG CE1 HD1
2593 NE2 CD2 CE1 HE2
2595 [ HOH ]
2596 [ atoms ]
2597 OW OW -0.820 0
2598 HW1 HW 0.410 0
2599 HW2 HW 0.410 0
2600 [ bonds ]
2601 OW HW1
2602 OW HW2
2604 [ HYP ]
2605 [ atoms ]
2606 N N 0.000 0
2607 CA CH1 0.000 1
2608 CB CH2 0.000 2
2609 CG CH1 0.150 3
2610 OD1 OA -0.548 3
2611 HD1 HO 0.398 3
2612 CD2 CH2 0.000 4
2613 C C 0.380 5
2614 O O -0.380 5
2615 [ bonds ]
2616 N CA
2617 CA C
2618 C O
2619 -C N
2620 CA CB
2621 CB CG
2622 CG OD1
2623 OD1 HD1
2624 CG CD2
2625 CD2 N
2626 [ impropers ]
2627 N -C CA CD2
2628 -C -CA N -O
2629 CA N C CB
2630 CG CD2 CB OD1
2632 [ ILE ]
2633 [ atoms ]
2634 N N -0.280 0
2635 H H 0.280 0
2636 CA CH1 0.000 1
2637 CB CH1 0.000 2
2638 CG1 CH2 0.000 3
2639 CG2 CH3 0.000 4
2640 CD CH3 0.000 5
2641 C C 0.380 6
2642 O O -0.380 6
2643 [ bonds ]
2644 N H
2645 N CA
2646 CA C
2647 C O
2648 -C N
2649 CA CB
2650 CB CG1
2651 CB CG2
2652 CG1 CD
2653 [ impropers ]
2654 N -C CA H
2655 -C -CA N -O
2656 CA N C CB
2657 CB CG1 CG2 CA
2659 [ LEU ]
2660 [ atoms ]
2661 N N -0.280 0
2662 H H 0.280 0
2663 CA CH1 0.000 1
2664 CB CH2 0.000 2
2665 CG CH1 0.000 3
2666 CD1 CH3 0.000 4
2667 CD2 CH3 0.000 5
2668 C C 0.380 6
2669 O O -0.380 6
2670 [ bonds ]
2671 N H
2672 N CA
2673 CA C
2674 C O
2675 -C N
2676 CA CB
2677 CB CG
2678 CG CD1
2679 CG CD2
2680 [ impropers ]
2681 N -C CA H
2682 -C -CA N -O
2683 CA N C CB
2684 CG CD2 CD1 CB
2686 [ LYS ]
2687 [ atoms ]
2688 N N -0.280 0
2689 H H 0.280 0
2690 CA CH1 0.000 1
2691 CB CH2 0.000 2
2692 CG CH2 0.000 3
2693 CD CH2 0.000 4
2694 CE CH2 0.000 5
2695 NZ NL -0.830 5
2696 HZ1 H 0.415 5
2697 HZ2 H 0.415 5
2698 C C 0.380 6
2699 O O -0.380 6
2700 [ bonds ]
2701 N H
2702 N CA
2703 CA C
2704 C O
2705 -C N
2706 CA CB
2707 CB CG
2708 CG CD
2709 CD CE
2710 CE NZ
2711 NZ HZ1
2712 NZ HZ2
2713 [ impropers ]
2714 N -C CA H
2715 -C -CA N -O
2716 CA N C CB
2717 NZ CE HZ2 HZ1
2719 [ LYSH ]
2720 [ atoms ]
2721 N N -0.280 0
2722 H H 0.280 0
2723 CA CH1 0.000 1
2724 CB CH2 0.000 2
2725 CG CH2 0.000 3
2726 CD CH2 0.000 4
2727 CE CH2 0.127 5
2728 NZ NL 0.129 5
2729 HZ1 H 0.248 5
2730 HZ2 H 0.248 5
2731 HZ3 H 0.248 5
2732 C C 0.380 6
2733 O O -0.380 6
2734 [ bonds ]
2735 N H
2736 N CA
2737 CA C
2738 C O
2739 -C N
2740 CA CB
2741 CB CG
2742 CG CD
2743 CD CE
2744 CE NZ
2745 NZ HZ1
2746 NZ HZ2
2747 NZ HZ3
2748 [ impropers ]
2749 N -C CA H
2750 -C -CA N -O
2751 CA N C CB
2752 NZ CE HZ2 HZ1
2753 NZ CE HZ1 HZ3
2755 [ MEBMT ]
2756 [ atoms ]
2757 N N 0.000 0
2758 CN CH3 0.000 1
2759 CA CH1 0.000 2
2760 CB CH1 0.150 3
2761 OG1 OA -0.548 3
2762 HG1 HO 0.398 3
2763 CG2 CH1 0.000 4
2764 CD1 CH3 0.000 5
2765 CD2 CH2 0.000 6
2766 CE CR61 0.000 7
2767 CZ CR61 0.000 8
2768 CH CH3 0.000 9
2769 C C 0.380 10
2770 O O -0.380 10
2771 [ bonds ]
2772 N CN
2773 N CA
2774 CA C
2775 C O
2776 -C N
2777 CA CB
2778 CB OG1
2779 OG1 HG1
2780 CB CG2
2781 CG2 CD1
2782 CG2 CD2
2783 CD2 CE
2784 CE CZ
2785 CZ CH
2786 [ impropers ]
2787 N -C CA CN
2788 -C -CA N -O
2789 CA N C CB
2790 CB OG1 CG2 CA
2791 CG2 CD1 CD2 CB
2793 [ MELEU ]
2794 [ atoms ]
2795 N N 0.000 0
2796 CN CH3 0.000 1
2797 CA CH1 0.000 2
2798 CB CH2 0.000 3
2799 CG CH1 0.000 4
2800 CD1 CH3 0.000 5
2801 CD2 CH3 0.000 6
2802 C C 0.380 7
2803 O O -0.380 7
2804 [ bonds ]
2805 N CN
2806 N CA
2807 CA C
2808 C O
2809 -C N
2810 CA CB
2811 CB CG
2812 CG CD1
2813 CG CD2
2814 [ impropers ]
2815 N -C CA CN
2816 -C -CA N -O
2817 CA N C CB
2818 CG CD1 CD2 CB
2820 [ MET ]
2821 [ atoms ]
2822 N N -0.280 0
2823 H H 0.280 0
2824 CA CH1 0.000 1
2825 CB CH2 0.000 2
2826 CG CH2 0.000 3
2827 SD S 0.000 4
2828 CE CH3 0.000 5
2829 C C 0.380 6
2830 O O -0.380 6
2831 [ bonds ]
2832 N H
2833 N CA
2834 CA C
2835 C O
2836 -C N
2837 CA CB
2838 CB CG
2839 CG SD
2840 SD CE
2841 [ impropers ]
2842 N -C CA H
2843 -C -CA N -O
2844 CA N C CB
2846 [ MEVAL ]
2847 [ atoms ]
2848 N N 0.000 0
2849 CN CH3 0.000 1
2850 CA CH1 0.000 2
2851 CB CH1 0.000 3
2852 CG1 CH3 0.000 4
2853 CG2 CH3 0.000 5
2854 C C 0.380 6
2855 O O -0.380 6
2856 [ bonds ]
2857 N CN
2858 N CA
2859 CA C
2860 C O
2861 -C N
2862 CA CB
2863 CB CG1
2864 CB CG2
2865 [ impropers ]
2866 N -C CA CN
2867 -C -CA N -O
2868 CA N C CB
2869 CB CG1 CG2 CA
2871 [ MG ]
2872 [ atoms ]
2873 MG MG 2.000 0
2875 [ MTH ]
2876 [ atoms ]
2877 MH HO 0.398 0
2878 MO OA -0.548 0
2879 MC CH3 0.150 0
2880 [ bonds ]
2881 MH MO
2882 MO MC
2884 [ MTXH ]
2885 [ atoms ]
2886 N1 NR6* -0.280 0
2887 HA1 H 0.280 0
2888 C2 CB 0.000 1
2889 NA2 NT -0.830 2
2890 HA21 H 0.415 2
2891 HA22 H 0.415 2
2892 N3 NR6 -0.360 3
2893 C4 CB 0.360 3
2894 NA4 NT -0.830 4
2895 HA41 H 0.415 4
2896 HA42 H 0.415 4
2897 C4A CB 0.000 5
2898 N5 NR6 -0.360 6
2899 C6 CB 0.360 6
2900 C7 CR61 0.360 7
2901 N8 NR6 -0.360 7
2902 C8A CB 0.000 8
2903 C9 CH2 0.000 9
2904 N10 NR6* 0.000 10
2905 CM10 CH3 0.000 11
2906 C14 CB 0.000 12
2907 C13 CR61 0.000 13
2908 C15 CR61 0.000 14
2909 C12 CR61 0.000 15
2910 C16 CR61 0.000 16
2911 C11 CB 0.000 17
2912 C C 0.380 18
2913 O O -0.380 18
2914 N N -0.280 19
2915 H H 0.280 19
2916 CA CH1 0.000 20
2917 CB CH2 0.000 21
2918 CG CH2 0.000 22
2919 CD C 0.270 23
2920 OE1 OM -0.635 23
2921 OE2 OM -0.635 23
2922 CT C 0.270 24
2923 O1 OM -0.635 24
2924 O2 OM -0.635 24
2925 [ bonds ]
2926 N1 HA1
2927 N1 C2
2928 N1 C8A
2929 C2 NA2
2930 C2 N3
2931 NA2 HA21
2932 NA2 HA22
2933 N3 C4
2934 C4 NA4
2935 C4 C4A
2936 NA4 HA41
2937 NA4 HA42
2938 C4A N5
2939 C4A C8A
2940 N5 C6
2941 C6 C7
2942 C6 C9
2943 C7 N8
2944 N8 C8A
2945 C9 N10
2946 N10 CM10
2947 N10 C14
2948 C14 C13
2949 C14 C15
2950 C13 C12
2951 C15 C16
2952 C12 C11
2953 C16 C11
2954 C11 C
2955 C O
2956 C N
2957 N H
2958 N CA
2959 CA CB
2960 CA CT
2961 CB CG
2962 CG CD
2963 CD OE1
2964 CD OE2
2965 CT O1
2966 CT O2
2967 [ impropers ]
2968 N1 C2 C8A HA1
2969 C2 N1 N3 NA2
2970 NA2 HA21 HA22 C2
2971 C4 N3 C4A NA4
2972 NA4 HA41 HA42 C4
2973 N1 C2 N3 C4
2974 C2 N3 C4 C4A
2975 N3 C4 C4A C8A
2976 C4 C4A C8A N1
2977 C4A C8A N1 C2
2978 C8A N1 C2 N3
2979 C4A C4 N5 C8A
2980 C8A N1 N8 C4A
2981 C4A N5 C6 C7
2982 N5 C6 C7 N8
2983 C6 C7 N8 C8A
2984 C7 N8 C8A C4A
2985 N8 C8A C4A N5
2986 C8A C4A N5 C6
2987 C6 N5 C7 C9
2988 N10 C9 C14 CM10
2989 C14 C13 C15 N10
2990 C14 C13 C12 C11
2991 C14 C15 C16 C11
2992 C13 C14 C15 C16
2993 C15 C14 C13 C12
2994 C13 C12 C11 C16
2995 C15 C16 C11 C12
2996 C11 C12 C16 C
2997 C C11 N O
2998 N C CA H
2999 CA N CT CB
3000 CD OE1 OE2 CG
3001 CT CA O2 O1
3003 [ NA ]
3004 [ atoms ]
3005 NA NA 1.000 0
3007 [ NAC ]
3008 [ atoms ]
3009 N N -0.280 0
3010 H H 0.280 0
3011 CA CH3 0.000 1
3012 [ bonds ]
3013 N H
3014 N CA
3015 -C N
3016 [ impropers ]
3017 N -C CA H
3019 [ NADH ]
3020 [ atoms ]
3021 AP P 0.760 0
3022 AO1P OM -0.635 0
3023 AO2P OM -0.635 0
3024 AO5* OS -0.360 0
3025 O3P OS -0.260 0
3026 NP P 0.760 0
3027 NO1P OM -0.635 0
3028 NO2P OM -0.635 0
3029 NO5* OS -0.360 0
3030 AC5* CS2 0.000 1
3031 AC4* CS1 0.160 2
3032 AO4* OS -0.360 2
3033 AC1* CS1 0.200 2
3034 AN9 NR5* -0.200 3
3035 AC4 CB 0.200 3
3036 AN3 NR6 -0.360 4
3037 AC2 CR61 0.360 4
3038 AN1 NR6 -0.360 5
3039 AC6 CB 0.360 5
3040 AN6 NT -0.830 6
3041 AH61 H 0.415 6
3042 AH62 H 0.415 6
3043 AC5 CB 0.000 7
3044 AN7 NR5 -0.360 8
3045 AC8 CR51 0.360 8
3046 AC2* CS1 0.150 9
3047 AO2* OA -0.548 9
3048 AH2* HO 0.398 9
3049 AC3* CS1 0.150 10
3050 AO3* OA -0.548 10
3051 AH3* HO 0.398 10
3052 NC5* CS2 0.000 11
3053 NC4* CS1 0.160 12
3054 NO4* OS -0.360 12
3055 NC1* CS1 0.200 12
3056 NN1 NR6* -0.200 13
3057 NC6 CR61 0.200 13
3058 NC2 CR61 0.000 13
3059 NC3 CB 0.000 13
3060 NC4 CS2 0.000 13
3061 NC5 CR61 0.000 13
3062 NC7 C 0.380 14
3063 NO7 O -0.380 14
3064 NN7 NT -0.830 15
3065 NH71 H 0.415 15
3066 NH72 H 0.415 15
3067 NC2* CS1 0.150 16
3068 NO2* OA -0.548 16
3069 NH2* HO 0.398 16
3070 NC3* CS1 0.150 17
3071 NO3* OA -0.548 17
3072 NH3* HO 0.398 17
3073 [ bonds ]
3074 AP AO1P
3075 AP AO2P
3076 AP AO5*
3077 AP O3P
3078 AO5* AC5*
3079 O3P NP
3080 NP NO1P
3081 NP NO2P
3082 NP NO5*
3083 NO5* NC5*
3084 AC5* AC4*
3085 AC4* AO4*
3086 AC4* AC3*
3087 AO4* AC1*
3088 AC1* AN9
3089 AC1* AC2*
3090 AN9 AC4
3091 AN9 AC8
3092 AC4 AN3
3093 AC4 AC5
3094 AN3 AC2
3095 AC2 AN1
3096 AN1 AC6
3097 AC6 AN6
3098 AC6 AC5
3099 AN6 AH61
3100 AN6 AH62
3101 AC5 AN7
3102 AN7 AC8
3103 AC2* AO2*
3104 AC2* AC3*
3105 AO2* AH2*
3106 AC3* AO3*
3107 AO3* AH3*
3108 NC5* NC4*
3109 NC4* NO4*
3110 NC4* NC3*
3111 NO4* NC1*
3112 NC1* NN1
3113 NC1* NC2*
3114 NN1 NC6
3115 NN1 NC2
3116 NC6 NC5
3117 NC2 NC3
3118 NC3 NC4
3119 NC3 NC7
3120 NC4 NC5
3121 NC7 NO7
3122 NC7 NN7
3123 NN7 NH71
3124 NN7 NH72
3125 NC2* NO2*
3126 NC2* NC3*
3127 NO2* NH2*
3128 NC3* NO3*
3129 NO3* NH3*
3130 [ impropers ]
3131 AC4* AO4* AC5* AC3*
3132 AC3* AC2* AO3* AC4*
3133 AC2* AO2* AC3* AC1*
3134 AC1* AN9 AO4* AC2*
3135 AN9 AC8 AC4 AC1*
3136 AC4 AN9 AC8 AN7
3137 AC8 AN9 AC4 AC5
3138 AN9 AC8 AN7 AC5
3139 AN9 AC4 AC5 AN7
3140 AC8 AN7 AC5 AC4
3141 AC4 AN9 AN3 AC5
3142 AC5 AC6 AN7 AC4
3143 AN3 AC4 AC5 AC6
3144 AC4 AC5 AC6 AN1
3145 AC5 AC4 AN3 AC2
3146 AC5 AC6 AN1 AC2
3147 AC4 AN3 AC2 AN1
3148 AN3 AC2 AN1 AC6
3149 AC6 AC5 AN1 AN6
3150 AN6 AH61 AH62 AC6
3151 NC4* NO4* NC5* NC3*
3152 NC3* NC2* NO3* NC4*
3153 NC2* NO2* NC3* NC1*
3154 NC1* NN1 NO4* NC2*
3155 NN1 NC6 NC2 NC1*
3156 NC2 NN1 NC6 NC5
3157 NC6 NN1 NC2 NC3
3158 NN1 NC6 NC5 NC4
3159 NN1 NC2 NC3 NC4
3160 NC6 NC5 NC4 NC3
3161 NC2 NC3 NC4 NC5
3162 NC3 NC4 NC2 NC7
3163 NC7 NO7 NN7 NC3
3164 NN7 NH71 NH72 NC7
3166 [ NADP ]
3167 [ atoms ]
3168 AP P 0.760 0
3169 AO1P OM -0.635 0
3170 AO2P OM -0.635 0
3171 AO5* OS -0.360 0
3172 O3P OS -0.260 0
3173 NP P 0.760 0
3174 NO1P OM -0.635 0
3175 NO2P OM -0.635 0
3176 NO5* OS -0.360 0
3177 AC5* CS2 0.000 1
3178 AC4* CS1 0.160 2
3179 AO4* OS -0.360 2
3180 AC1* CS1 0.200 2
3181 AN9 NR5* -0.200 3
3182 AC4 CB 0.200 3
3183 AN3 NR6 -0.360 4
3184 AC2 CR61 0.360 4
3185 AN1 NR6 -0.360 5
3186 AC6 CB 0.360 5
3187 AN6 NT -0.830 6
3188 AH61 H 0.415 6
3189 AH62 H 0.415 6
3190 AC5 CB 0.000 7
3191 AN7 NR5 -0.360 8
3192 AC8 CR51 0.360 8
3193 AC2* CS1 0.150 9
3194 AO2* OA -0.548 9
3195 AH2* HO 0.398 9
3196 AC3* CS1 0.150 10
3197 AO3* OA -0.548 10
3198 AH3* HO 0.398 10
3199 NC5* CS2 0.000 11
3200 NC4* CS1 0.160 12
3201 NO4* OS -0.360 12
3202 NC1* CS1 0.200 12
3203 NN1 NR6* 0.100 13
3204 NC6 CR61 0.300 13
3205 NC2 CR61 0.250 13
3206 NC3 CB 0.000 13
3207 NC4 CR61 0.250 13
3208 NC5 CR61 0.100 13
3209 NC7 C 0.380 14
3210 NO7 O -0.380 14
3211 NN7 NT -0.830 15
3212 NH71 H 0.415 15
3213 NH72 H 0.415 15
3214 NC2* CS1 0.150 16
3215 NO2* OA -0.548 16
3216 NH2* HO 0.398 16
3217 NC3* CS1 0.150 17
3218 NO3* OA -0.548 17
3219 NH3* HO 0.398 17
3220 [ bonds ]
3221 AP AO1P
3222 AP AO2P
3223 AP AO5*
3224 AP O3P
3225 AO5* AC5*
3226 O3P NP
3227 NP NO1P
3228 NP NO2P
3229 NP NO5*
3230 NO5* NC5*
3231 AC5* AC4*
3232 AC4* AO4*
3233 AC4* AC3*
3234 AO4* AC1*
3235 AC1* AN9
3236 AC1* AC2*
3237 AN9 AC4
3238 AN9 AC8
3239 AC4 AN3
3240 AC4 AC5
3241 AN3 AC2
3242 AC2 AN1
3243 AN1 AC6
3244 AC6 AN6
3245 AC6 AC5
3246 AN6 AH61
3247 AN6 AH62
3248 AC5 AN7
3249 AN7 AC8
3250 AC2* AO2*
3251 AC2* AC3*
3252 AO2* AH2*
3253 AC3* AO3*
3254 AO3* AH3*
3255 NC5* NC4*
3256 NC4* NO4*
3257 NC4* NC3*
3258 NO4* NC1*
3259 NC1* NN1
3260 NC1* NC2*
3261 NN1 NC6
3262 NN1 NC2
3263 NC6 NC5
3264 NC2 NC3
3265 NC3 NC4
3266 NC3 NC7
3267 NC4 NC5
3268 NC7 NO7
3269 NC7 NN7
3270 NN7 NH71
3271 NN7 NH72
3272 NC2* NO2*
3273 NC2* NC3*
3274 NO2* NH2*
3275 NC3* NO3*
3276 NO3* NH3*
3277 [ impropers ]
3278 AC4* AO4* AC5* AC3*
3279 AC3* AC2* AO3* AC4*
3280 AC2* AO2* AC3* AC1*
3281 AC1* AN9 AO4* AC2*
3282 AN9 AC8 AC4 AC1*
3283 AC4 AN9 AC8 AN7
3284 AC8 AN9 AC4 AC5
3285 AN9 AC8 AN7 AC5
3286 AN9 AC4 AC5 AN7
3287 AC8 AN7 AC5 AC4
3288 AC4 AN9 AN3 AC5
3289 AC5 AC6 AN7 AC4
3290 AN3 AC4 AC5 AC6
3291 AC4 AC5 AC6 AN1
3292 AC5 AC4 AN3 AC2
3293 AC5 AC6 AN1 AC2
3294 AC4 AN3 AC2 AN1
3295 AN3 AC2 AN1 AC6
3296 AC6 AC5 AN1 AN6
3297 AN6 AH61 AH62 AC6
3298 NC4* NO4* NC5* NC3*
3299 NC3* NC2* NO3* NC4*
3300 NC2* NO2* NC3* NC1*
3301 NC1* NN1 NO4* NC2*
3302 NN1 NC6 NC2 NC1*
3303 NC2 NN1 NC6 NC5
3304 NC6 NN1 NC2 NC3
3305 NN1 NC6 NC5 NC4
3306 NN1 NC2 NC3 NC4
3307 NC6 NC5 NC4 NC3
3308 NC2 NC3 NC4 NC5
3309 NC3 NC4 NC2 NC7
3310 NC7 NO7 NN7 NC3
3311 NN7 NH71 NH72 NC7
3313 [ NDPH ]
3314 [ atoms ]
3315 AP P 0.760 0
3316 AO1P OM -0.635 0
3317 AO2P OM -0.635 0
3318 AO5* OS -0.360 0
3319 O3P OS -0.260 0
3320 NP P 0.760 0
3321 NO1P OM -0.635 0
3322 NO2P OM -0.635 0
3323 NO5* OS -0.360 0
3324 AC5* CS2 0.000 1
3325 AC4* CS1 0.160 2
3326 AO4* OS -0.360 2
3327 AC1* CS1 0.200 2
3328 AN9 NR5* -0.200 3
3329 AC4 CB 0.200 3
3330 AN3 NR6 -0.360 4
3331 AC2 CR61 0.360 4
3332 AN1 NR6 -0.360 5
3333 AC6 CB 0.360 5
3334 AN6 NT -0.830 6
3335 AH61 H 0.415 6
3336 AH62 H 0.415 6
3337 AC5 CB 0.000 7
3338 AN7 NR5 -0.360 8
3339 AC8 CR51 0.360 8
3340 AC2* CS1 0.150 9
3341 AO2* OS -0.360 9
3342 AP2* P 0.630 9
3343 AO6* OM -0.635 9
3344 AO7* OM -0.635 9
3345 AO8* OA -0.548 9
3346 AH8* HO 0.398 9
3347 AC3* CS1 0.150 10
3348 AO3* OA -0.548 10
3349 AH3* HO 0.398 10
3350 NC5* CS2 0.000 11
3351 NC4* CS1 0.160 12
3352 NO4* OS -0.360 12
3353 NC1* CS1 0.200 12
3354 NN1 NR6* -0.200 13
3355 NC6 CR61 0.200 13
3356 NC2 CR61 0.000 13
3357 NC3 CB 0.000 13
3358 NC4 CS2 0.000 13
3359 NC5 CR61 0.000 13
3360 NC7 C 0.380 14
3361 NO7 O -0.380 14
3362 NN7 NT -0.830 15
3363 NH71 H 0.415 15
3364 NH72 H 0.415 15
3365 NC2* CS1 0.150 16
3366 NO2* OA -0.548 16
3367 NH2* HO 0.398 16
3368 NC3* CS1 0.150 17
3369 NO3* OA -0.548 17
3370 NH3* HO 0.398 17
3371 [ bonds ]
3372 AP AO1P
3373 AP AO2P
3374 AP AO5*
3375 AP O3P
3376 AO5* AC5*
3377 O3P NP
3378 NP NO1P
3379 NP NO2P
3380 NP NO5*
3381 NO5* NC5*
3382 AC5* AC4*
3383 AC4* AO4*
3384 AC4* AC3*
3385 AO4* AC1*
3386 AC1* AN9
3387 AC1* AC2*
3388 AN9 AC4
3389 AN9 AC8
3390 AC4 AN3
3391 AC4 AC5
3392 AN3 AC2
3393 AC2 AN1
3394 AN1 AC6
3395 AC6 AN6
3396 AC6 AC5
3397 AN6 AH61
3398 AN6 AH62
3399 AC5 AN7
3400 AN7 AC8
3401 AC2* AO2*
3402 AC2* AC3*
3403 AO2* AP2*
3404 AP2* AO6*
3405 AP2* AO7*
3406 AP2* AO8*
3407 AO8* AH8*
3408 AC3* AO3*
3409 AO3* AH3*
3410 NC5* NC4*
3411 NC4* NO4*
3412 NC4* NC3*
3413 NO4* NC1*
3414 NC1* NN1
3415 NC1* NC2*
3416 NN1 NC6
3417 NN1 NC2
3418 NC6 NC5
3419 NC2 NC3
3420 NC3 NC4
3421 NC3 NC7
3422 NC4 NC5
3423 NC7 NO7
3424 NC7 NN7
3425 NN7 NH71
3426 NN7 NH72
3427 NC2* NO2*
3428 NC2* NC3*
3429 NO2* NH2*
3430 NC3* NO3*
3431 NO3* NH3*
3432 [ impropers ]
3433 AC4* AO4* AC5* AC3*
3434 AC3* AC2* AO3* AC4*
3435 AC2* AO2* AC3* AC1*
3436 AC1* AN9 AO4* AC2*
3437 AN9 AC8 AC4 AC1*
3438 AC4 AN9 AC8 AN7
3439 AC8 AN9 AC4 AC5
3440 AN9 AC8 AN7 AC5
3441 AN9 AC4 AC5 AN7
3442 AC8 AN7 AC5 AC4
3443 AC4 AN9 AN3 AC5
3444 AC5 AC6 AN7 AC4
3445 AN3 AC4 AC5 AC6
3446 AC4 AC5 AC6 AN1
3447 AC5 AC4 AN3 AC2
3448 AC5 AC6 AN1 AC2
3449 AC4 AN3 AC2 AN1
3450 AN3 AC2 AN1 AC6
3451 AC6 AC5 AN1 AN6
3452 AN6 AH61 AH62 AC6
3453 NC4* NO4* NC5* NC3*
3454 NC3* NC2* NO3* NC4*
3455 NC2* NO2* NC3* NC1*
3456 NC1* NN1 NO4* NC2*
3457 NN1 NC6 NC2 NC1*
3458 NC2 NN1 NC6 NC5
3459 NC6 NN1 NC2 NC3
3460 NN1 NC6 NC5 NC4
3461 NN1 NC2 NC3 NC4
3462 NC6 NC5 NC4 NC3
3463 NC2 NC3 NC4 NC5
3464 NC3 NC4 NC2 NC7
3465 NC7 NO7 NN7 NC3
3466 NN7 NH71 NH72 NC7
3468 [ NDPHN ]
3469 [ atoms ]
3470 AP P 1.020 0
3471 AO1P OA -0.548 0
3472 AH1P HO 0.398 0
3473 AO2P O -0.380 0
3474 AO5* OS -0.360 0
3475 O3P OS -0.260 0
3476 NP P 1.020 0
3477 NO1P OA -0.548 0
3478 NH1P HO 0.398 0
3479 NO2P O -0.380 0
3480 NO5* OS -0.360 0
3481 AC5* CS2 0.000 1
3482 AC4* CS1 0.160 2
3483 AO4* OS -0.360 2
3484 AC1* CS1 0.200 2
3485 AN9 NR5* -0.200 3
3486 AC4 CB 0.200 3
3487 AN3 NR6 -0.360 4
3488 AC2 CR61 0.360 4
3489 AN1 NR6 -0.360 5
3490 AC6 CB 0.360 5
3491 AN6 NT -0.830 6
3492 AH61 H 0.415 6
3493 AH62 H 0.415 6
3494 AC5 CB 0.000 7
3495 AN7 NR5 -0.360 8
3496 AC8 CR51 0.360 8
3497 AC2* CS1 0.150 9
3498 AO2* OS -0.360 9
3499 AP2* P 0.890 9
3500 AO6* O -0.380 9
3501 AO7* OA -0.548 9
3502 AH7* HO 0.398 9
3503 AO8* OA -0.548 9
3504 AH8* HO 0.398 9
3505 AC3* CS1 0.150 10
3506 AO3* OA -0.548 10
3507 AH3* HO 0.398 10
3508 NC5* CS2 0.000 11
3509 NC4* CS1 0.160 12
3510 NO4* OS -0.360 12
3511 NC1* CS1 0.200 12
3512 NN1 NR6* -0.200 13
3513 NC6 CR61 0.200 13
3514 NC2 CR61 0.000 13
3515 NC3 CB 0.000 13
3516 NC4 CS2 0.000 13
3517 NC5 CR61 0.000 13
3518 NC7 C 0.380 14
3519 NO7 O -0.380 14
3520 NN7 NT -0.830 15
3521 NH71 H 0.415 15
3522 NH72 H 0.415 15
3523 NC2* CS1 0.150 16
3524 NO2* OA -0.548 16
3525 NH2* HO 0.398 16
3526 NC3* CS1 0.150 17
3527 NO3* OA -0.548 17
3528 NH3* HO 0.398 17
3529 [ bonds ]
3530 AP AO1P
3531 AO1P AH1P
3532 AP AO2P
3533 AP AO5*
3534 AP O3P
3535 AO5* AC5*
3536 O3P NP
3537 NP NO1P
3538 NO1P NH1P
3539 NP NO2P
3540 NP NO5*
3541 NO5* NC5*
3542 AC5* AC4*
3543 AC4* AO4*
3544 AC4* AC3*
3545 AO4* AC1*
3546 AC1* AN9
3547 AC1* AC2*
3548 AN9 AC4
3549 AN9 AC8
3550 AC4 AN3
3551 AC4 AC5
3552 AN3 AC2
3553 AC2 AN1
3554 AN1 AC6
3555 AC6 AN6
3556 AC6 AC5
3557 AN6 AH61
3558 AN6 AH62
3559 AC5 AN7
3560 AN7 AC8
3561 AC2* AO2*
3562 AC2* AC3*
3563 AO2* AP2*
3564 AP2* AO6*
3565 AP2* AO7*
3566 AP2* AO8*
3567 AO7* AH7*
3568 AO8* AH8*
3569 AC3* AO3*
3570 AO3* AH3*
3571 NC5* NC4*
3572 NC4* NO4*
3573 NC4* NC3*
3574 NO4* NC1*
3575 NC1* NN1
3576 NC1* NC2*
3577 NN1 NC6
3578 NN1 NC2
3579 NC6 NC5
3580 NC2 NC3
3581 NC3 NC4
3582 NC3 NC7
3583 NC4 NC5
3584 NC7 NO7
3585 NC7 NN7
3586 NN7 NH71
3587 NN7 NH72
3588 NC2* NO2*
3589 NC2* NC3*
3590 NO2* NH2*
3591 NC3* NO3*
3592 NO3* NH3*
3593 [ impropers ]
3594 AC4* AO4* AC5* AC3*
3595 AC3* AC2* AO3* AC4*
3596 AC2* AO2* AC3* AC1*
3597 AC1* AN9 AO4* AC2*
3598 AN9 AC8 AC4 AC1*
3599 AC4 AN9 AC8 AN7
3600 AC8 AN9 AC4 AC5
3601 AN9 AC8 AN7 AC5
3602 AN9 AC4 AC5 AN7
3603 AC8 AN7 AC5 AC4
3604 AC4 AN9 AN3 AC5
3605 AC5 AC6 AN7 AC4
3606 AN3 AC4 AC5 AC6
3607 AC4 AC5 AC6 AN1
3608 AC5 AC4 AN3 AC2
3609 AC5 AC6 AN1 AC2
3610 AC4 AN3 AC2 AN1
3611 AN3 AC2 AN1 AC6
3612 AC6 AC5 AN1 AN6
3613 AN6 AH61 AH62 AC6
3614 NC4* NO4* NC5* NC3*
3615 NC3* NC2* NO3* NC4*
3616 NC2* NO2* NC3* NC1*
3617 NC1* NN1 NO4* NC2*
3618 NN1 NC6 NC2 NC1*
3619 NC2 NN1 NC6 NC5
3620 NC6 NN1 NC2 NC3
3621 NN1 NC6 NC5 NC4
3622 NN1 NC2 NC3 NC4
3623 NC6 NC5 NC4 NC3
3624 NC2 NC3 NC4 NC5
3625 NC3 NC4 NC2 NC7
3626 NC7 NO7 NN7 NC3
3627 NN7 NH71 NH72 NC7
3629 [ NDPP ]
3630 [ atoms ]
3631 AP P 0.760 0
3632 AO1P OM -0.635 0
3633 AO2P OM -0.635 0
3634 AO5* OS -0.360 0
3635 O3P OS -0.260 0
3636 NP P 0.760 0
3637 NO1P OM -0.635 0
3638 NO2P OM -0.635 0
3639 NO5* OS -0.360 0
3640 AC5* CS2 0.000 1
3641 AC4* CS1 0.160 2
3642 AO4* OS -0.360 2
3643 AC1* CS1 0.200 2
3644 AN9 NR5* -0.200 3
3645 AC4 CB 0.200 3
3646 AN3 NR6 -0.360 4
3647 AC2 CR61 0.360 4
3648 AN1 NR6 -0.360 5
3649 AC6 CB 0.360 5
3650 AN6 NT -0.830 6
3651 AH61 H 0.415 6
3652 AH62 H 0.415 6
3653 AC5 CB 0.000 7
3654 AN7 NR5 -0.360 8
3655 AC8 CR51 0.360 8
3656 AC2* CS1 0.150 9
3657 AO2* OS -0.360 9
3658 AP2* P 0.630 9
3659 AO6* OM -0.635 9
3660 AO7* OM -0.635 9
3661 AO8* OA -0.548 9
3662 AH8* HO 0.398 9
3663 AC3* CS1 0.150 10
3664 AO3* OA -0.548 10
3665 AH3* HO 0.398 10
3666 NC5* CS2 0.000 11
3667 NC4* CS1 0.160 12
3668 NO4* OS -0.360 12
3669 NC1* CS1 0.200 12
3670 NN1 NR6* 0.100 13
3671 NC6 CR61 0.300 13
3672 NC2 CR61 0.250 13
3673 NC3 CB 0.000 13
3674 NC4 CR61 0.250 13
3675 NC5 CR61 0.100 13
3676 NC7 C 0.380 14
3677 NO7 O -0.380 14
3678 NN7 NT -0.830 15
3679 NH71 H 0.415 15
3680 NH72 H 0.415 15
3681 NC2* CS1 0.150 16
3682 NO2* OA -0.548 16
3683 NH2* HO 0.398 16
3684 NC3* CS1 0.150 17
3685 NO3* OA -0.548 17
3686 NH3* HO 0.398 17
3687 [ bonds ]
3688 AP AO1P
3689 AP AO2P
3690 AP AO5*
3691 AP O3P
3692 AO5* AC5*
3693 O3P NP
3694 NP NO1P
3695 NP NO2P
3696 NP NO5*
3697 NO5* NC5*
3698 AC5* AC4*
3699 AC4* AO4*
3700 AC4* AC3*
3701 AO4* AC1*
3702 AC1* AN9
3703 AC1* AC2*
3704 AN9 AC4
3705 AN9 AC8
3706 AC4 AN3
3707 AC4 AC5
3708 AN3 AC2
3709 AC2 AN1
3710 AN1 AC6
3711 AC6 AN6
3712 AC6 AC5
3713 AN6 AH61
3714 AN6 AH62
3715 AC5 AN7
3716 AN7 AC8
3717 AC2* AO2*
3718 AC2* AC3*
3719 AO2* AP2*
3720 AP2* AO6*
3721 AP2* AO7*
3722 AP2* AO8*
3723 AO8* AH8*
3724 AC3* AO3*
3725 AO3* AH3*
3726 NC5* NC4*
3727 NC4* NO4*
3728 NC4* NC3*
3729 NO4* NC1*
3730 NC1* NN1
3731 NC1* NC2*
3732 NN1 NC6
3733 NN1 NC2
3734 NC6 NC5
3735 NC2 NC3
3736 NC3 NC4
3737 NC3 NC7
3738 NC4 NC5
3739 NC7 NO7
3740 NC7 NN7
3741 NN7 NH71
3742 NN7 NH72
3743 NC2* NO2*
3744 NC2* NC3*
3745 NO2* NH2*
3746 NC3* NO3*
3747 NO3* NH3*
3748 [ impropers ]
3749 AC4* AO4* AC5* AC3*
3750 AC3* AC2* AO3* AC4*
3751 AC2* AO2* AC3* AC1*
3752 AC1* AN9 AO4* AC2*
3753 AN9 AC8 AC4 AC1*
3754 AC4 AN9 AC8 AN7
3755 AC8 AN9 AC4 AC5
3756 AN9 AC8 AN7 AC5
3757 AN9 AC4 AC5 AN7
3758 AC8 AN7 AC5 AC4
3759 AC4 AN9 AN3 AC5
3760 AC5 AC6 AN7 AC4
3761 AN3 AC4 AC5 AC6
3762 AC4 AC5 AC6 AN1
3763 AC5 AC4 AN3 AC2
3764 AC5 AC6 AN1 AC2
3765 AC4 AN3 AC2 AN1
3766 AN3 AC2 AN1 AC6
3767 AC6 AC5 AN1 AN6
3768 AN6 AH61 AH62 AC6
3769 NC4* NO4* NC5* NC3*
3770 NC3* NC2* NO3* NC4*
3771 NC2* NO2* NC3* NC1*
3772 NC1* NN1 NO4* NC2*
3773 NN1 NC6 NC2 NC1*
3774 NC2 NN1 NC6 NC5
3775 NC6 NN1 NC2 NC3
3776 NN1 NC6 NC5 NC4
3777 NN1 NC2 NC3 NC4
3778 NC6 NC5 NC4 NC3
3779 NC2 NC3 NC4 NC5
3780 NC3 NC4 NC2 NC7
3781 NC7 NO7 NN7 NC3
3782 NN7 NH71 NH72 NC7
3784 [ NH2 ]
3785 [ atoms ]
3786 N NT -0.830 0
3787 H1 H 0.415 0
3788 H2 H 0.415 0
3789 [ bonds ]
3790 -C N
3791 N H1
3792 N H2
3794 [ PDG ]
3795 [ atoms ]
3796 P P 0.630 0
3797 O1P OM -0.635 0
3798 O2P OM -0.635 0
3799 O3P OA -0.548 0
3800 H3P HO 0.398 0
3801 O4P OS -0.360 0
3802 C1 CH2 0.150 0
3803 C2 CH1 0.150 1
3804 O2 OA -0.548 1
3805 H2 HO 0.398 1
3806 C3 C 0.270 2
3807 OT1 OM -0.635 2
3808 OT2 OM -0.635 2
3809 [ bonds ]
3810 P O1P
3811 P O2P
3812 P O3P
3813 P O4P
3814 O3P H3P
3815 O4P C1
3816 C1 C2
3817 C2 O2
3818 C2 C3
3819 O2 H2
3820 C3 OT1
3821 C3 OT2
3822 [ impropers ]
3823 C2 C1 C3 O2
3824 C3 C2 OT2 OT1
3826 [ PFN ]
3827 [ atoms ]
3828 FC9A CB 0.000 0
3829 FC10 CR61 0.000 1
3830 FC10A CB 0.000 2
3831 FC1 CR61 0.000 3
3832 FC2 CR61 0.000 4
3833 FC3 CB 0.000 5
3834 FN3 NT -0.830 6
3835 FH31 H 0.415 6
3836 FH32 H 0.415 6
3837 FC4 CR61 0.000 7
3838 FC4A CB 0.150 8
3839 FN5 NR6* 0.285 8
3840 FH5 H 0.415 8
3841 FC5A CB 0.150 8
3842 FC6 CR61 0.000 9
3843 FC7 CB 0.000 10
3844 FN7 NT -0.830 11
3845 FH71 H 0.415 11
3846 FH72 H 0.415 11
3847 FC8 CR61 0.000 12
3848 FC9 CR61 0.000 13
3849 [ bonds ]
3850 FC9A FC10
3851 FC9A FC5A
3852 FC9A FC9
3853 FC10 FC10A
3854 FC10A FC1
3855 FC10A FC4A
3856 FC1 FC2
3857 FC2 FC3
3858 FC3 FN3
3859 FC3 FC4
3860 FN3 FH31
3861 FN3 FH32
3862 FC4 FC4A
3863 FC4A FN5
3864 FN5 FH5
3865 FN5 FC5A
3866 FC5A FC6
3867 FC6 FC7
3868 FC7 FN7
3869 FC7 FC8
3870 FN7 FH71
3871 FN7 FH72
3872 FC8 FC9
3873 [ impropers ]
3874 FC9A FC10 FC10A FC4A
3875 FC10 FC10A FC4A FN5
3876 FC10A FC4A FN5 FC5A
3877 FC4A FN5 FC5A FC9A
3878 FN5 FC5A FC9A FC10
3879 FC5A FC9A FC10 FC10A
3880 FN5 FC4A FC5A FH5
3881 FC10A FC1 FC10 FC4A
3882 FC4A FC4 FN5 FC10A
3883 FC4A FC10A FC1 FC2
3884 FC10A FC1 FC2 FC3
3885 FC1 FC2 FC3 FC4
3886 FC2 FC3 FC4 FC4A
3887 FC3 FC4 FC4A FC10A
3888 FC4 FC4A FC10A FC1
3889 FC3 FC2 FC4 FN3
3890 FN3 FH31 FH32 FC3
3891 FC5A FN5 FC6 FC9A
3892 FC9A FC10 FC9 FC5A
3893 FC5A FC6 FC7 FC8
3894 FC6 FC7 FC8 FC9
3895 FC7 FC8 FC9 FC9A
3896 FC8 FC9 FC9A FC5A
3897 FC9 FC9A FC5A FC6
3898 FC9A FC5A FC6 FC7
3899 FC7 FC8 FC6 FN7
3900 FN7 FH71 FH72 FC7
3902 [ PHE ]
3903 [ atoms ]
3904 N N -0.280 0
3905 H H 0.280 0
3906 CA CH1 0.000 1
3907 CB CH2 0.000 2
3908 CG CB 0.000 3
3909 CD1 CR6 -0.140 4
3910 HD1 HCR 0.140 4
3911 CD2 CR6 -0.140 5
3912 HD2 HCR 0.140 5
3913 CE1 CR6 -0.140 6
3914 HE1 HCR 0.140 6
3915 CE2 CR6 -0.140 7
3916 HE2 HCR 0.140 7
3917 CZ CR6 -0.140 8
3918 HZ HCR 0.140 8
3919 C C 0.380 9
3920 O O -0.380 9
3921 [ bonds ]
3922 N H
3923 N CA
3924 CA C
3925 C O
3926 -C N
3927 CA CB
3928 CB CG
3929 CG CD1
3930 CG CD2
3931 CD1 HD1
3932 CD1 CE1
3933 CD2 HD2
3934 CD2 CE2
3935 CE1 HE1
3936 CE1 CZ
3937 CE2 HE2
3938 CE2 CZ
3939 CZ HZ
3940 [ impropers ]
3941 N -C CA H
3942 -C -CA N -O
3943 CA N C CB
3944 CG CD1 CD2 CB
3945 CD2 CG CD1 CE1
3946 CD1 CG CD2 CE2
3947 CG CD1 CE1 CZ
3948 CG CD2 CE2 CZ
3949 CD1 CE1 CZ CE2
3950 CD2 CE2 CZ CE1
3951 CD1 HD1 CG CE1
3952 CD2 HD2 CG CE2
3953 CE1 HE1 CD1 CZ
3954 CE2 HE2 CD2 CZ
3955 CZ HZ CE1 CE2
3957 [ PHL ]
3958 [ atoms ]
3959 N N -0.280 0
3960 H H 0.280 0
3961 CA CH1 0.000 1
3962 CB CH2 0.000 2
3963 CG CB 0.000 3
3964 CD1 CR6 -0.140 4
3965 HD1 HCR 0.140 4
3966 CD2 CR6 -0.140 5
3967 HD2 HCR 0.140 5
3968 CE1 CR6 -0.140 6
3969 HE1 HCR 0.140 6
3970 CE2 CR6 -0.140 7
3971 HE2 HCR 0.140 7
3972 CZ CR6 -0.140 8
3973 HZ HCR 0.140 8
3974 CX CH2 0.150 9
3975 OY OA -0.548 9
3976 HY HO 0.398 9
3977 [ bonds ]
3978 N H
3979 N CA
3980 CA CX
3981 CX OY
3982 HY1 OY
3983 -C N
3984 CA CB
3985 CB CG
3986 CG CD1
3987 CG CD2
3988 CD1 HD1
3989 CD1 CE1
3990 CD2 HD2
3991 CD2 CE2
3992 CE1 HE1
3993 CE1 CZ
3994 CE2 HE2
3995 CE2 CZ
3996 CZ HZ
3997 [ impropers ]
3998 N -C CA H
3999 -C -CA N -O
4000 CA N C CB
4001 CG CD1 CD2 CB
4002 CD2 CG CD1 CE1
4003 CD1 CG CD2 CE2
4004 CG CD1 CE1 CZ
4005 CG CD2 CE2 CZ
4006 CD1 CE1 CZ CE2
4007 CD2 CE2 CZ CE1
4008 CD1 HD1 CG CE1
4009 CD2 HD2 CG CE2
4010 CE1 HE1 CD1 CZ
4011 CE2 HE2 CD2 CZ
4012 CZ HZ CE1 CE2
4014 [ PHEU ]
4015 [ atoms ]
4016 N N -0.280 0
4017 H H 0.280 0
4018 CA CH1 0.000 1
4019 CB CH2 0.000 2
4020 CG CB 0.000 3
4021 CD1 CR61 0.000 4
4022 CD2 CR61 0.000 5
4023 CE1 CR61 0.000 6
4024 CE2 CR61 0.000 7
4025 CZ CR61 0.000 8
4026 C C 0.380 9
4027 O O -0.380 9
4028 [ bonds ]
4029 N H
4030 N CA
4031 CA C
4032 C O
4033 -C N
4034 CA CB
4035 CB CG
4036 CG CD1
4037 CG CD2
4038 CD1 CE1
4039 CD2 CE2
4040 CE1 CZ
4041 CE2 CZ
4042 [ impropers ]
4043 N -C CA H
4044 -C -CA N -O
4045 CA N C CB
4046 CG CD1 CD2 CB
4047 CD2 CG CD1 CE1
4048 CD1 CG CD2 CE2
4049 CG CD1 CE1 CZ
4050 CG CD2 CE2 CZ
4051 CD1 CE1 CZ CE2
4052 CD2 CE2 CZ CE1
4054 [ PMB ]
4055 [ atoms ]
4056 PC8 CH3 0.000 0
4057 PC5 CB 0.000 1
4058 PC4 CR61 0.000 2
4059 PC6 CR61 0.000 3
4060 PC3 CR61 0.000 4
4061 PC7 CR61 0.000 5
4062 PC2 CB 0.000 6
4063 PC1 CH2 0.000 7
4064 PO OM -0.600 7
4065 PHC1 H -0.200 7
4066 PHC2 H -0.200 7
4067 [ bonds ]
4068 PC8 PC5
4069 PC5 PC4
4070 PC5 PC6
4071 PC4 PC3
4072 PC6 PC7
4073 PC3 PC2
4074 PC7 PC2
4075 PC2 PC1
4076 PC1 PO
4077 PC1 PHC1
4078 PC1 PHC2
4079 [ impropers ]
4080 PC5 PC4 PC6 PC8
4081 PC6 PC5 PC4 PC3
4082 PC4 PC5 PC6 PC7
4083 PC5 PC4 PC3 PC2
4084 PC5 PC6 PC7 PC2
4085 PC4 PC3 PC2 PC7
4086 PC6 PC7 PC2 PC3
4087 PC2 PC3 PC7 PC1
4089 [ PMBH ]
4090 [ atoms ]
4091 PC8 CH3 0.000 0
4092 PC5 CB 0.000 1
4093 PC4 CR61 0.000 2
4094 PC6 CR61 0.000 3
4095 PC3 CR61 0.000 4
4096 PC7 CR61 0.000 5
4097 PC2 CB 0.000 6
4098 PC1 CH2 -0.050 7
4099 PO OA -0.548 7
4100 PH HO 0.398 7
4101 PHC1 H 0.100 7
4102 PHC2 H 0.100 7
4103 [ bonds ]
4104 PC8 PC5
4105 PC5 PC4
4106 PC5 PC6
4107 PC4 PC3
4108 PC6 PC7
4109 PC3 PC2
4110 PC7 PC2
4111 PC2 PC1
4112 PC1 PO
4113 PO PH
4114 PC1 PHC1
4115 PC1 PHC2
4116 [ impropers ]
4117 PC5 PC4 PC6 PC8
4118 PC6 PC5 PC4 PC3
4119 PC4 PC5 PC6 PC7
4120 PC5 PC4 PC3 PC2
4121 PC5 PC6 PC7 PC2
4122 PC4 PC3 PC2 PC7
4123 PC6 PC7 PC2 PC3
4124 PC2 PC3 PC7 PC1
4126 [ PRO ]
4127 [ atoms ]
4128 N N 0.000 0
4129 CA CH1 0.000 1
4130 CB CH2 0.000 2
4131 CG CH2 0.000 3
4132 CD CH2 0.000 4
4133 C C 0.380 5
4134 O O -0.380 5
4135 [ bonds ]
4136 N CA
4137 CA C
4138 C O
4139 -C N
4140 CA CB
4141 CB CG
4142 CG CD
4143 CD N
4144 [ impropers ]
4145 -C -CA N -O
4146 CA N C CB
4147 N -C CA CD
4149 [ RTOL ]
4150 [ atoms ]
4151 C18 CH3 0.000 0
4152 C17 CH3 0.000 1
4153 C1 CB 0.000 2
4154 C2 CH2 0.000 3
4155 C3 CH2 0.000 4
4156 C4 CH2 0.000 5
4157 C5 CB 0.000 6
4158 C16 CH3 0.000 7
4159 C6 CB 0.000 8
4160 C7 CR61 0.000 9
4161 C8 CR61 0.000 10
4162 C9 CB 0.000 11
4163 C19 CH3 0.000 12
4164 C10 CR61 0.000 13
4165 C11 CR61 0.000 14
4166 C12 CR61 0.000 15
4167 C13 CB 0.000 16
4168 C20 CH3 0.000 17
4169 C14 CR61 0.000 18
4170 C15 CH2 0.150 19
4171 O21 OA -0.548 19
4172 H21 HO 0.398 19
4173 [ bonds ]
4174 C18 C1
4175 C17 C1
4176 C1 C2
4177 C1 C6
4178 C2 C3
4179 C3 C4
4180 C4 C5
4181 C5 C16
4182 C5 C6
4183 C6 C7
4184 C7 C8
4185 C8 C9
4186 C9 C19
4187 C9 C10
4188 C10 C11
4189 C11 C12
4190 C12 C13
4191 C13 C20
4192 C13 C14
4193 C14 C15
4194 C15 O21
4195 O21 H21
4196 [ impropers ]
4197 C5 C4 C6 C16
4198 C6 C1 C7 C5
4199 C9 C8 C10 C19
4200 C13 C12 C14 C20
4202 [ SAR ]
4203 [ atoms ]
4204 N N 0.000 0
4205 CN CH3 0.000 1
4206 CA CH2 0.000 2
4207 C C 0.380 3
4208 O O -0.380 3
4209 [ bonds ]
4210 N CN
4211 N CA
4212 CA C
4213 C O
4214 -C N
4215 [ impropers ]
4216 N -C CA CN
4217 -C -CA N -O
4219 [ SER ]
4220 [ atoms ]
4221 N N -0.280 0
4222 H H 0.280 0
4223 CA CH1 0.000 1
4224 CB CH2 0.150 2
4225 OG OA -0.548 2
4226 HG HO 0.398 2
4227 C C 0.380 3
4228 O O -0.380 3
4229 [ bonds ]
4230 N H
4231 N CA
4232 CA C
4233 C O
4234 -C N
4235 CA CB
4236 CB OG
4237 OG HG
4238 [ impropers ]
4239 N -C CA H
4240 -C -CA N -O
4241 CA N C CB
4243 [ SO4 ]
4244 [ atoms ]
4245 IS S 0.540 0
4246 IO1 OM -0.635 0
4247 IO2 OM -0.635 0
4248 IO3 OM -0.635 0
4249 IO4 OM -0.635 0
4250 [ bonds ]
4251 IS IO1
4252 IS IO2
4253 IS IO3
4254 IS IO4
4256 [ TEMP ]
4257 [ atoms ]
4258 O1 O -0.200 0
4259 N1 NR5* -0.036 0
4260 C1 CB 0.118 0
4261 C4 CB 0.118 0
4262 CA CB 0.000 1
4263 C3 CR51 0.000 2
4264 C6 CH3 0.000 3
4265 C7 CH3 0.000 4
4266 C8 CH3 0.000 5
4267 C9 CH3 0.000 6
4268 C5 C 0.380 7
4269 O5 O -0.380 7
4270 [ bonds ]
4271 O1 N1
4272 N1 C1
4273 N1 C4
4274 C1 CA
4275 C1 C6
4276 C1 C7
4277 C4 C3
4278 C4 C8
4279 C4 C9
4280 CA C3
4281 CA C5
4282 C5 O5
4283 -C5 O1
4284 [ impropers ]
4285 N1 C1 C4 O1
4286 N1 C1 CA C3
4287 C1 CA C3 C4
4288 CA C3 C4 N1
4289 C3 C4 N1 C1
4290 C4 N1 C1 CA
4291 CA C1 C3 C5
4292 -C5 -CA O1 -O5
4294 [ TFE ]
4295 [ atoms ]
4296 C C 0.590 0
4297 F1 F -0.200 0
4298 F2 F -0.200 0
4299 F3 F -0.200 0
4300 CH2 CH2 0.260 1
4301 OA OA -0.550 2
4302 OH HO 0.300 2
4303 [ bonds ]
4304 C F1
4305 C F2
4306 C F3
4307 C CH2
4308 CH2 OA
4309 OA OH
4311 [ THF ]
4312 [ atoms ]
4313 N1 NR6 -0.360 0
4314 C2 CB 0.360 0
4315 NA2 NT -0.830 1
4316 HA21 H 0.415 1
4317 HA22 H 0.415 1
4318 N3 NR6* -0.280 2
4319 HA3 H 0.280 2
4320 C4 CB 0.380 3
4321 OA4 O -0.380 3
4322 C4A CB 0.000 4
4323 N5 NR6* -0.280 5
4324 HA5 H 0.280 5
4325 C6 CS1 0.000 6
4326 C7 CS2 0.000 7
4327 N8 NR6* -0.280 8
4328 HA8 H 0.280 8
4329 C8A CB 0.000 9
4330 C9 CH2 0.000 10
4331 N10 NR6* -0.280 11
4332 H10 H 0.280 11
4333 C14 CB 0.000 12
4334 C13 CR61 0.000 13
4335 C15 CR61 0.000 14
4336 C12 CR61 0.000 15
4337 C16 CR61 0.000 16
4338 C11 CB 0.000 17
4339 C C 0.380 18
4340 O O -0.380 18
4341 N N -0.280 19
4342 H H 0.280 19
4343 CA CH1 0.000 20
4344 CB CH2 0.000 21
4345 CG CH2 0.000 22
4346 CD C 0.270 23
4347 OE1 OM -0.635 23
4348 OE2 OM -0.635 23
4349 CT C 0.270 24
4350 O1 OM -0.635 24
4351 O2 OM -0.635 24
4352 [ bonds ]
4353 N1 C2
4354 N1 C8A
4355 C2 NA2
4356 C2 N3
4357 NA2 HA21
4358 NA2 HA22
4359 N3 HA3
4360 N3 C4
4361 C4 OA4
4362 C4 C4A
4363 C4A N5
4364 C4A C8A
4365 N5 HA5
4366 N5 C6
4367 C6 C7
4368 C6 C9
4369 C7 N8
4370 N8 HA8
4371 N8 C8A
4372 C9 N10
4373 N10 H10
4374 N10 C14
4375 C14 C13
4376 C14 C15
4377 C13 C12
4378 C15 C16
4379 C12 C11
4380 C16 C11
4381 C11 C
4382 C O
4383 C N
4384 N H
4385 N CA
4386 CA CB
4387 CA CT
4388 CB CG
4389 CG CD
4390 CD OE1
4391 CD OE2
4392 CT O1
4393 CT O2
4394 [ impropers ]
4395 C2 N1 N3 NA2
4396 NA2 HA21 HA22 C2
4397 N3 C2 C4 HA3
4398 C4 N3 C4A OA4
4399 N1 C2 N3 C4
4400 C2 N3 C4 C4A
4401 N3 C4 C4A C8A
4402 C4 C4A C8A N1
4403 C4A C8A N1 C2
4404 C8A N1 C2 N3
4405 C4A C4 N5 C8A
4406 C8A N1 N8 C4A
4407 C4A N5 C6 C7
4408 N5 C6 C7 N8
4409 C6 C7 N8 C8A
4410 C7 N8 C8A C4A
4411 N8 C8A C4A N5
4412 C8A C4A N5 C6
4413 N5 C4A C6 HA5
4414 N8 C7 C8A HA8
4415 C6 N5 C7 C9
4416 N10 C9 C14 H10
4417 C14 C13 C15 N10
4418 C14 C13 C12 C11
4419 C14 C15 C16 C11
4420 C13 C14 C15 C16
4421 C15 C14 C13 C12
4422 C13 C12 C11 C16
4423 C15 C16 C11 C12
4424 C11 C12 C16 C
4425 C C11 N O
4426 N C CA H
4427 CA N CT CB
4428 CD OE1 OE2 CG
4429 CT CA O2 O1
4431 [ THR ]
4432 [ atoms ]
4433 N N -0.280 0
4434 H H 0.280 0
4435 CA CH1 0.000 1
4436 CB CH1 0.150 2
4437 OG1 OA -0.548 2
4438 HG1 HO 0.398 2
4439 CG2 CH3 0.000 3
4440 C C 0.380 4
4441 O O -0.380 4
4442 [ bonds ]
4443 N H
4444 N CA
4445 CA C
4446 C O
4447 -C N
4448 CA CB
4449 CB OG1
4450 CB CG2
4451 OG1 HG1
4452 [ impropers ]
4453 N -C CA H
4454 -C -CA N -O
4455 CA N C CB
4456 CB OG1 CG2 CA
4458 [ TMP ]
4459 [ atoms ]
4460 N1 NR6 -0.360 0
4461 C2 CB 0.360 0
4462 NA2 NT -0.830 1
4463 HA21 H 0.415 1
4464 HA22 H 0.415 1
4465 N3 NR6 -0.360 2
4466 C4 CB 0.360 2
4467 NA4 NT -0.830 3
4468 HA41 H 0.415 3
4469 HA42 H 0.415 3
4470 C5 CB 0.000 4
4471 C6 CR61 0.000 5
4472 C7 CH2 0.000 6
4473 C11 CB 0.000 7
4474 C12 CR61 0.000 8
4475 C16 CR61 0.000 9
4476 C13 CB 0.180 10
4477 O13 OS -0.360 10
4478 CM13 CH3 0.180 10
4479 C15 CB 0.180 11
4480 O15 OS -0.360 11
4481 CM15 CH3 0.180 11
4482 C14 CB 0.180 12
4483 O14 OS -0.360 12
4484 CM14 CH3 0.180 12
4485 [ bonds ]
4486 N1 C2
4487 N1 C6
4488 C2 NA2
4489 C2 N3
4490 NA2 HA21
4491 NA2 HA22
4492 N3 C4
4493 C4 NA4
4494 C4 C5
4495 NA4 HA41
4496 NA4 HA42
4497 C5 C6
4498 C5 C7
4499 C7 C11
4500 C11 C12
4501 C11 C16
4502 C12 C13
4503 C16 C15
4504 C13 O13
4505 C13 C14
4506 O13 CM13
4507 C15 O15
4508 C15 C14
4509 O15 CM15
4510 C14 O14
4511 O14 CM14
4512 [ impropers ]
4513 C2 N1 N3 NA2
4514 NA2 HA21 HA22 C2
4515 C4 N3 C5 NA4
4516 NA4 HA41 HA42 C4
4517 N1 C2 N3 C4
4518 C2 N3 C4 C5
4519 N3 C4 C5 C6
4520 C4 C5 C6 N1
4521 C5 C6 N1 C2
4522 C6 N1 C2 N3
4523 C5 C4 C6 C7
4524 C11 C12 C16 C7
4525 C11 C12 C13 C14
4526 C11 C16 C15 C14
4527 C12 C13 C14 C15
4528 C12 C11 C16 C15
4529 C16 C15 C14 C13
4530 C16 C11 C12 C13
4531 C13 C12 O13 C14
4532 C15 C16 O15 C14
4533 C14 C13 O14 C15
4535 [ TMPH ]
4536 [ atoms ]
4537 N1 NR6* -0.280 0
4538 HA1 H 0.280 0
4539 C2 CB 0.000 1
4540 NA2 NT -0.830 2
4541 HA21 H 0.415 2
4542 HA22 H 0.415 2
4543 N3 NR6 -0.360 3
4544 C4 CB 0.360 3
4545 NA4 NT -0.830 4
4546 HA41 H 0.415 4
4547 HA42 H 0.415 4
4548 C5 CB 0.000 5
4549 C6 CR61 0.000 6
4550 C7 CH2 0.000 7
4551 C11 CB 0.000 8
4552 C12 CR61 0.000 9
4553 C16 CR61 0.000 10
4554 C13 CB 0.180 11
4555 O13 OS -0.360 11
4556 CM13 CH3 0.180 11
4557 C15 CB 0.180 12
4558 O15 OS -0.360 12
4559 CM15 CH3 0.180 12
4560 C14 CB 0.180 13
4561 O14 OS -0.360 13
4562 CM14 CH3 0.180 13
4563 [ bonds ]
4564 N1 HA1
4565 N1 C2
4566 N1 C6
4567 C2 NA2
4568 C2 N3
4569 NA2 HA21
4570 NA2 HA22
4571 N3 C4
4572 C4 NA4
4573 C4 C5
4574 NA4 HA41
4575 NA4 HA42
4576 C5 C6
4577 C5 C7
4578 C7 C11
4579 C11 C12
4580 C11 C16
4581 C12 C13
4582 C16 C15
4583 C13 O13
4584 C13 C14
4585 O13 CM13
4586 C15 O15
4587 C15 C14
4588 O15 CM15
4589 C14 O14
4590 O14 CM14
4591 [ impropers ]
4592 N1 C2 C6 HA1
4593 C2 N1 N3 NA2
4594 NA2 HA21 HA22 C2
4595 C4 N3 C5 NA4
4596 NA4 HA41 HA42 C4
4597 N1 C2 N3 C4
4598 C2 N3 C4 C5
4599 N3 C4 C5 C6
4600 C4 C5 C6 N1
4601 C5 C6 N1 C2
4602 C6 N1 C2 N3
4603 C5 C4 C6 C7
4604 C11 C12 C16 C7
4605 C11 C12 C13 C14
4606 C11 C16 C15 C14
4607 C12 C13 C14 C15
4608 C12 C11 C16 C15
4609 C16 C15 C14 C13
4610 C16 C11 C12 C13
4611 C13 C12 O13 C14
4612 C15 C16 O15 C14
4613 C14 C13 O14 C15
4615 [ TMPHP ]
4616 [ atoms ]
4617 N1 NR6* -0.360 0
4618 HA1 H 0.360 0
4619 C2 CB 0.600 1
4620 NA2 NT -0.730 1
4621 HA21 H 0.415 1
4622 HA22 H 0.415 1
4623 N3 NR6 -0.360 2
4624 C4 CB 0.360 2
4625 NA4 NT -0.830 3
4626 HA41 H 0.415 3
4627 HA42 H 0.415 3
4628 C5 CB 0.100 4
4629 C6 CR61 0.200 4
4630 C7 CH2 0.000 5
4631 C11 CB 0.000 6
4632 C12 CR61 0.000 7
4633 C16 CR61 0.000 8
4634 C13 CB 0.180 9
4635 O13 OS -0.360 9
4636 CM13 CH3 0.180 9
4637 C15 CB 0.180 10
4638 O15 OS -0.360 10
4639 CM15 CH3 0.180 10
4640 C14 CB 0.180 11
4641 O14 OS -0.360 11
4642 CM14 CH3 0.180 11
4643 [ bonds ]
4644 N1 HA1
4645 N1 C2
4646 N1 C6
4647 C2 NA2
4648 C2 N3
4649 NA2 HA21
4650 NA2 HA22
4651 N3 C4
4652 C4 NA4
4653 C4 C5
4654 NA4 HA41
4655 NA4 HA42
4656 C5 C6
4657 C5 C7
4658 C7 C11
4659 C11 C12
4660 C11 C16
4661 C12 C13
4662 C16 C15
4663 C13 O13
4664 C13 C14
4665 O13 CM13
4666 C15 O15
4667 C15 C14
4668 O15 CM15
4669 C14 O14
4670 O14 CM14
4671 [ impropers ]
4672 N1 C2 C6 HA1
4673 C2 N1 N3 NA2
4674 NA2 HA21 HA22 C2
4675 C4 N3 C5 NA4
4676 NA4 HA41 HA42 C4
4677 N1 C2 N3 C4
4678 C2 N3 C4 C5
4679 N3 C4 C5 C6
4680 C4 C5 C6 N1
4681 C5 C6 N1 C2
4682 C6 N1 C2 N3
4683 C5 C4 C6 C7
4684 C11 C12 C16 C7
4685 C11 C12 C13 C14
4686 C11 C16 C15 C14
4687 C12 C13 C14 C15
4688 C12 C11 C16 C15
4689 C16 C15 C14 C13
4690 C16 C11 C12 C13
4691 C13 C12 O13 C14
4692 C15 C16 O15 C14
4693 C14 C13 O14 C15
4695 [ TN2 ]
4696 [ atoms ]
4697 N N -0.280 0
4698 H H 0.280 0
4699 CA CH1 0.000 1
4700 CB CH2 0.000 2
4701 CG CB 0.000 3
4702 CD2 CR6 -0.140 4
4703 HD2 HCR 0.140 4
4704 CD1 CR6 -0.450 5
4705 HD1 HCR 0.280 5
4706 CE1 CR6 -0.110 5
4707 NE1 N 0.880 5
4708 OE2 O -0.600 5
4709 OE3 O -0.600 5
4710 CZ CB 0.700 5
4711 OH OA -0.760 5
4712 CE2 CR6 -0.490 5
4713 HE2 HCR 0.150 5
4714 C C 0.380 6
4715 O O -0.380 6
4716 [ bonds ]
4717 N H
4718 N CA
4719 CA C
4720 C O
4721 -C N
4722 CA CB
4723 CB CG
4724 CG CD1
4725 CG CD2
4726 CD1 HD1
4727 CD1 CE1
4728 CD2 HD2
4729 CD2 CE2
4730 CE1 NE1
4731 NE1 OE2
4732 NE1 OE3
4733 CE1 CZ
4734 CE2 HE2
4735 CE2 CZ
4736 CZ OH
4737 [ impropers ]
4738 N -C CA H
4739 -C -CA N -O
4740 CA N C CB
4741 CG CD1 CD2 CB
4742 CD2 CG CD1 CE1
4743 CD1 CG CD2 CE2
4744 CG CD1 CE1 CZ
4745 CG CD2 CE2 CZ
4746 CD1 CE1 CZ CE2
4747 CD2 CE2 CZ CE1
4748 CZ CE1 CE2 OH
4749 CD1 HD1 CG CE1
4750 CD2 HD2 CG CE2
4751 CE2 HE2 CD2 CZ
4752 CE1 NE1 CD1 CZ
4753 CZ CE1 NE1 OE2
4754 CD1 CE1 NE2 OE3
4756 [ TRP ]
4757 [ atoms ]
4758 N N -0.280 0
4759 H H 0.280 0
4760 CA CH1 0.000 1
4761 CB CH2 0.000 2
4762 CG CB -0.140 3
4763 CD1 CR5 -0.140 3
4764 HD1 HCR 0.140 3
4765 CD2 CB 0.000 3
4766 NE1 NR5* -0.050 3
4767 HE1 H 0.190 3
4768 CE2 CB 0.000 4
4769 CE3 CR6 -0.140 5
4770 HE3 HCR 0.140 5
4771 CZ2 CR6 -0.140 6
4772 HZ2 HCR 0.140 6
4773 CZ3 CR6 -0.140 7
4774 HZ3 HCR 0.140 7
4775 CH2 CR6 -0.140 8
4776 HH2 HCR 0.140 8
4777 C C 0.380 9
4778 O O -0.380 9
4779 [ bonds ]
4780 N H
4781 N CA
4782 CA C
4783 C O
4784 -C N
4785 CA CB
4786 CB CG
4787 CG CD1
4788 CG CD2
4789 CD1 HD1
4790 CD1 NE1
4791 CD2 CE2
4792 CD2 CE3
4793 NE1 HE1
4794 NE1 CE2
4795 CE2 CZ2
4796 CE3 HE3
4797 CE3 CZ3
4798 CZ2 HZ2
4799 CZ2 CH2
4800 CZ3 HZ3
4801 CZ3 CH2
4802 CH2 HH2
4803 [ impropers ]
4804 N -C CA H
4805 -C -CA N -O
4806 CA N C CB
4807 CG CD1 CD2 CB
4808 CD2 CG CD1 NE1
4809 CD1 CG CD2 CE2
4810 CG CD1 NE1 CE2
4811 CG CD2 CE2 NE1
4812 CD1 NE1 CE2 CD2
4813 NE1 CD1 CE2 HE1
4814 CD2 CE2 CE3 CG
4815 CE2 CD2 CZ2 NE1
4816 CE3 CD2 CE2 CZ2
4817 CD2 CE2 CZ2 CH2
4818 CE2 CD2 CE3 CZ3
4819 CE2 CZ2 CH2 CZ3
4820 CD2 CE3 CZ3 CH2
4821 CE3 CZ3 CH2 CZ2
4822 CD1 HD1 NE1 CG
4823 CE3 HE3 CD2 CZ3
4824 CZ3 HZ3 CE3 CH2
4825 CZ2 HZ2 CE2 CH2
4826 CH2 HH2 CZ2 CZ3
4828 [ TRPU ]
4829 [ atoms ]
4830 N N -0.280 0
4831 H H 0.280 0
4832 CA CH1 0.000 1
4833 CB CH2 0.000 2
4834 CG CB -0.140 3
4835 CD1 CR51 0.000 3
4836 CD2 CB 0.000 3
4837 NE1 NR5* -0.050 3
4838 HE1 H 0.190 3
4839 CE2 CB 0.000 4
4840 CE3 CR61 0.000 5
4841 CZ2 CR61 0.000 6
4842 CZ3 CR61 0.000 7
4843 CH2 CR61 0.000 8
4844 C C 0.380 9
4845 O O -0.380 9
4846 [ bonds ]
4847 N H
4848 N CA
4849 CA C
4850 C O
4851 -C N
4852 CA CB
4853 CB CG
4854 CG CD1
4855 CG CD2
4856 CD1 NE1
4857 CD2 CE2
4858 CD2 CE3
4859 NE1 HE1
4860 NE1 CE2
4861 CE2 CZ2
4862 CE3 CZ3
4863 CZ2 CH2
4864 CZ3 CH2
4865 [ impropers ]
4866 N -C CA H
4867 -C -CA N -O
4868 CA N C CB
4869 CG CD1 CD2 CB
4870 CD2 CG CD1 NE1
4871 CD1 CG CD2 CE2
4872 CG CD1 NE1 CE2
4873 CG CD2 CE2 NE1
4874 CD1 NE1 CE2 CD2
4875 NE1 CD1 CE2 HE1
4876 CD2 CE2 CE3 CG
4877 CE2 CD2 CZ2 NE1
4878 CE3 CD2 CE2 CZ2
4879 CD2 CE2 CZ2 CH2
4880 CE2 CD2 CE3 CZ3
4881 CE2 CZ2 CH2 CZ3
4882 CD2 CE3 CZ3 CH2
4883 CE3 CZ3 CH2 CZ2
4885 [ TYR ]
4886 [ atoms ]
4887 N N -0.280 0
4888 H H 0.280 0
4889 CA CH1 0.000 1
4890 CB CH2 0.000 2
4891 CG CB 0.000 3
4892 CD1 CR6 -0.140 4
4893 HD1 HCR 0.140 4
4894 CD2 CR6 -0.140 5
4895 HD2 HCR 0.140 5
4896 CE1 CR6 -0.140 6
4897 HE1 HCR 0.140 6
4898 CE2 CR6 -0.140 7
4899 HE2 HCR 0.140 7
4900 CZ CB 0.150 8
4901 OH OA -0.548 8
4902 HH HO 0.398 8
4903 C C 0.380 9
4904 O O -0.380 9
4905 [ bonds ]
4906 N H
4907 N CA
4908 CA C
4909 C O
4910 -C N
4911 CA CB
4912 CB CG
4913 CG CD1
4914 CG CD2
4915 CD1 HD1
4916 CD1 CE1
4917 CD2 HD2
4918 CD2 CE2
4919 CE1 HE1
4920 CE1 CZ
4921 CE2 HE2
4922 CE2 CZ
4923 CZ OH
4924 OH HH
4925 [ impropers ]
4926 N -C CA H
4927 -C -CA N -O
4928 CA N C CB
4929 CG CD1 CD2 CB
4930 CD2 CG CD1 CE1
4931 CD1 CG CD2 CE2
4932 CG CD1 CE1 CZ
4933 CG CD2 CE2 CZ
4934 CD1 CE1 CZ CE2
4935 CD2 CE2 CZ CE1
4936 CZ CE1 CE2 OH
4937 CD1 HD1 CG CE1
4938 CD2 HD2 CG CE2
4939 CE1 HE1 CD1 CZ
4940 CE2 HE2 CD2 CZ
4942 [ TYRU ]
4943 [ atoms ]
4944 N N -0.280 0
4945 H H 0.280 0
4946 CA CH1 0.000 1
4947 CB CH2 0.000 2
4948 CG CB 0.000 3
4949 CD1 CR61 0.000 4
4950 CD2 CR61 0.000 5
4951 CE1 CR61 0.000 6
4952 CE2 CR61 0.000 7
4953 CZ CB 0.150 8
4954 OH OA -0.548 8
4955 HH HO 0.398 8
4956 C C 0.380 9
4957 O O -0.380 9
4958 [ bonds ]
4959 N H
4960 N CA
4961 CA C
4962 C O
4963 -C N
4964 CA CB
4965 CB CG
4966 CG CD1
4967 CG CD2
4968 CD1 CE1
4969 CD2 CE2
4970 CE1 CZ
4971 CE2 CZ
4972 CZ OH
4973 OH HH
4974 [ impropers ]
4975 N -C CA H
4976 -C -CA N -O
4977 CA N C CB
4978 CG CD1 CD2 CB
4979 CD2 CG CD1 CE1
4980 CD1 CG CD2 CE2
4981 CG CD1 CE1 CZ
4982 CG CD2 CE2 CZ
4983 CD1 CE1 CZ CE2
4984 CD2 CE2 CZ CE1
4985 CZ CE1 CE2 OH
4987 [ URA ]
4988 [ atoms ]
4989 P P 0.990 0
4990 O1P OM -0.635 0
4991 O2P OM -0.635 0
4992 O5* OS -0.360 0
4993 C5* CS2 0.000 1
4994 C4* CS1 0.160 2
4995 O4* OS -0.360 2
4996 C1* CS1 0.200 2
4997 N1 NR6* -0.200 3
4998 C6 CR61 0.200 3
4999 C2 CB 0.380 4
5000 O2 O -0.380 4
5001 N3 NR6* -0.280 5
5002 H3 H 0.280 5
5003 C4 CB 0.380 6
5004 O4 O -0.380 6
5005 C5 CR61 0.000 7
5006 C2* CS1 0.150 8
5007 O2* OA -0.548 8
5008 H2* HO 0.398 8
5009 C3* CS1 0.000 9
5010 O3* OS -0.360 10
5011 [ bonds ]
5012 P O1P
5013 P O2P
5014 P O5*
5015 O5* C5*
5016 C5* C4*
5017 C4* O4*
5018 C4* C3*
5019 O4* C1*
5020 C1* N1
5021 C1* O2*
5022 N1 C6
5023 N1 C2
5024 C6 C5
5025 C2 O2
5026 C2 N3
5027 N3 H3
5028 N3 C4
5029 C4 O4
5030 C4 C5
5031 C2* O2*
5032 C2* C3*
5033 O2* H2*
5034 C3* O3*
5035 -O3* P
5036 [ impropers ]
5037 C4* O4* C5* C3*
5038 C3* C2* O3* C4*
5039 C1* N1 O4* C2*
5040 N1 C6 C2 C1*
5041 C2 N1 C6 C5
5042 C6 N1 C2 N3
5043 N1 C6 C5 C4
5044 N1 C2 N3 C4
5045 C6 C5 C4 N3
5046 C2 N3 C4 C5
5047 C2 N3 N1 O2
5048 N3 C4 C2 H3
5049 C4 C5 N3 O4
5050 C2* O2* C3* C1*
5052 [ VAL ]
5053 [ atoms ]
5054 N N -0.280 0
5055 H H 0.280 0
5056 CA CH1 0.000 1
5057 CB CH1 0.000 2
5058 CG1 CH3 0.000 3
5059 CG2 CH3 0.000 4
5060 C C 0.380 5
5061 O O -0.380 5
5062 [ bonds ]
5063 N H
5064 N CA
5065 CA C
5066 C O
5067 -C N
5068 CA CB
5069 CB CG1
5070 CB CG2
5071 [ impropers ]
5072 N -C CA H
5073 -C -CA N -O
5074 CA N C CB
5075 CB CG2 CG1 CA
5077 [ ZN ]
5078 [ atoms ]
5079 ZN ZN 2.000 0