Project name: C977S_var296_4D

Status: done

Started: 2026-05-04 06:51:46
Chain sequence(s) A: MGPGARGRRRRRRPMSPPPPPPPVRALPLLLLLAGPGAAAPPCLDGSPCANGGRCTQLPSREAACLCPPGWVGERCQLEDPCHSGPCAGRGVCQSSVVAGTARFSCRCPRGFRGPDCSLPDPCLSSPCAHGARCSVGPDGRFLCSCPPGYQGRSCRSDVDECRVGEPCRHGGTCLNTPGSFRCQCPAGYTGPLCENPAVPCAPSPCRNGGTCRQSGDLTYDCACLPGFEGQNCEVNVDDCPGHRCLNGGTCVDGVNTYNCQCPPEWTGQFCTEDVDECQLQPNACHNGGTCFNTLGGHSCVCVNGWTGESCSQNIDDCATAVCFHGATCHDRVASFYCACPMGKTGLLCHLDDACVSNPCHEDAICDTNPVNGRAICTCPPGFTGGACDQDVDECSIGANPCEHLGRCVNTQGSFLCQCGRGYTGPRCETDVNECLSGPCRNQATCLDRIGQFTCICMAGFTGTYCEVDIDECQSSPCVNGGVCKDRVNGFSCTCPSGFSGSTCQLDVDECASTPCRNGAKCVDQPDGYECRCAEGFEGTLCDRNVDDCSPDPCHHGRCVDGIASFSCACAPGYTGTRCESQVDECRSQPCRHGGKCLDLVDKYLCRCPSGTTGVNCEVNIDDCASNPCTFGVCRDGINRYDCVCQPGFTGPLCNVEINECASSPCGEGGSCVDGENGFRCLCPPGSLPPLCLPPSHPCAHEPCSHGICYDAPGGFRCVCEPGWSGPRCSQSLARDACESQPCRAGGTCSSDGMGFHCTCPPGVQGRQCELLSPCTPNPCEHGGRCESAPGQLPVCSCPQGWQGPRCQQDVDECAGPAPCGPHGICTNLAGSFSCTCHGGYTGPSCDQDINDCDPNPCLNGGSCQDGVGSFSCSCLPGFAGPRCARDVDECLSNPCGPGTCTDHVASFTCTCPPGYGGFHCEQDLPDCSPSSCFNGGTCVDGVNSFSCLCRPGYTGAHCQHEADPCLSRPCLHGGVSSAAHPGFRCTCLESFTGPQCQTLVDWCSRQPCQNGGRCVQTGAYCLCPPGWSGRLCDIRSLPCREAAAQIGVRLEQLCQAGGQCVDEDSSHYCVCPEGRTGSHCEQEVDPCLAQPCQHGGTCRGYMGGYMCECLPGYNGDNCEDDVDECASQPCQHGGSCIDLVARYLCSCPPGTLGVLCEINEDDCGPGPPLDSGPRCLHNGTCVDLVGGFRCTCPPGYTGLRCEADINECRSGACHAAHTRDCLQDPGGGFRCLCHAGFSGPRCQTVLSPCESQPCQHGGQCRPSPGPGGGLTFTCHCAQPFWGPRCERVARSCRELQCPVGVPCQQTPRGPRCACPPGLSGPSCRSFPGSPPGASNASCAAAPCLHGGSCRPAPLAPFFRCACAQGWTGPRCEAPAAAPEVSEEPRCPRAACQAKRGDQRCDRECNSPGCGWDGGDCSLSVGDPWRQCEALQCWRLFNNSRCDPACSSPACLYDNFDCHAGGRERTCNPVYEKYCADHFADGRCDQGCNTEECGWDGLDCASEVPALLARGVLVLTVLLPPEELLRSSADFLQRLSAILRTSLRFRLDAHGQAMVFPYHRPSPGSEPRARRELAPEVIGSVVMLEIDNRLCLQSPENDHCFPDAQSAADYLGALSAVERLDFPYPLRDVRGEPLEPPEPSVPLLPLLVAGAVLLLVILVLGVMVARRKREHSTLWFPEGFSLHKDVASGHKGRREPVGQDALGMKNMAKGESLMGEVATDWMDTECPEAKRLKVEEPGMGAEEAVDCRQWTQHHLVAADIRVAPAMALTPPQGDADADGMDVNVRGPDGFTPLMLASFCGGALEPMPTEEDEADDTSASIISDLICQGAQLGARTDRTGETALHLAARYARADAAKRLLDAGADTNAQDHSGRTPLHTAVTADAQGVFQILIRNRSTDLDARMADGSTALILAARLAVEGMVEELIASHADVNAVDELGKSALHWAAAVNNVEATLALLKNGANKDMQDSKEETPLFLAAREGSYEAAKLLLDHFANREITDHLDRLPRDVAQERLHQDIVRLLDQPSGPRSPPGPHGLGPLLCPPGAFLPGLKAAQSGSKKSRRPPGKAGLGPQGPRGRGKKLTLACPGPLADSSVTLSPVDSLDSPRPFGGPPASPGGFPLEGPYAAATATAVSLAQLGGPGRAGLGRQPPGGCVLSLGLLNPVAVPLDWARLPPPAPPGPSFLLPLAPGPQLLNPGTPVSPQERPPPYLAVPGHGEEYPAAGAHSSPPKARFLRVPSEHPYLTPSPESPEHWASPSPPSLSDWSESTPSPATATGAMATTTGALPAQPLPLSVPSSLAQAQTQLGPQPEVTPKRQVLA
input PDB
Selected Chain(s) A
Distance of aggregation 10 Å
FoldX usage Yes
pH calculations No
alphaCutter usage No
Dynamic mode No
Automated mutations No
Downloads Download all the data
Simulation log
[INFO]       Logger:   Verbosity set to: 2 - [INFO]                                                (00:00:01)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:02)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:02)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:02)
[INFO]       FoldX:    Starting FoldX energy minimization                                          (00:00:02)
[INFO]       Analysis: Starting Aggrescan4D on folded.pdb                                          (00:17:24)
[INFO]       Main:     Simulation completed successfully.                                          (00:18:23)
Show buried residues

Minimal score value
-4.672
Maximal score value
5.523
Average score
-0.7678
Total score value
-1782.124

The table below lists A4D score for protein residues. Residues with A4D score > 0.0000 are marked by yellow rows.

residue index residue name chain Aggrescan4D score mutation
1 M A 0.7136
2 G A -0.1936
3 P A -0.6333
4 G A -0.9688
5 A A -1.3451
6 R A -2.5545
7 G A -2.7245
8 R A -3.7699
9 R A -4.2834
10 R A -4.5580
11 R A -4.5504
12 R A -4.1975
13 R A -2.9993
14 P A -1.0873
15 M A 0.3605
16 S A 0.0734
17 P A -0.2943
18 P A -0.6177
19 P A -0.6382
20 P A -0.6492
21 P A -0.4500
22 P A -0.4023
23 P A 0.0385
24 V A 0.8660
25 R A -0.6548
26 A A 0.5092
27 L A 1.7825
28 P A 1.6510
29 L A 3.2722
30 L A 3.8836
31 L A 3.9818
32 L A 3.6707
33 L A 2.8560
34 A A 1.1368
35 G A 0.0204
36 P A -0.4620
37 G A -0.6486
38 A A -0.2908
39 A A -0.0892
40 A A -0.2913
41 P A -0.7916
42 P A -0.9187
43 C A -0.7476
44 L A 0.2077
45 D A -1.3132
46 G A -0.9017
47 S A -0.6621
48 P A -0.8389
49 C A -1.1229
50 A A -1.2117
51 N A -1.6292
52 G A -1.2340
53 G A -1.1606
54 R A -1.5214
55 C A -0.0115
56 T A -0.8275
57 Q A -1.8446
58 L A -1.2525
59 P A -1.3818
60 S A -1.8471
61 R A -3.0991
62 E A -2.8304
63 A A 0.0000
64 A A -0.9785
65 C A 0.0000
66 L A 0.2914
67 C A -0.3760
68 P A -0.3052
69 P A -0.4825
70 G A -0.9809
71 W A -0.8015
72 V A -0.8094
73 G A -0.9118
74 E A -1.9407
75 R A -1.6512
76 C A 0.0000
77 Q A -1.5320
78 L A -1.3985
79 E A -2.2298
80 D A -1.6173
81 P A -1.3930
82 C A -1.0284
83 H A -1.6357
84 S A -1.1418
85 G A -0.8541
86 P A -0.5856
87 C A -0.7998
88 A A -0.5438
89 G A -1.0533
90 R A -1.8632
91 G A -1.1027
92 V A 0.3977
93 C A -0.3909
94 Q A -1.1017
95 S A -0.6575
96 S A -0.1805
97 V A 0.5739
98 V A 1.5326
99 A A 0.6104
100 G A -0.2283
101 T A -0.1234
102 A A 0.0000
103 R A -1.2982
104 F A -0.7143
105 S A -0.9390
106 C A -1.0132
107 R A -1.7603
108 C A -1.1162
109 P A -1.2798
110 R A -1.8396
111 G A 0.0000
112 F A -0.0735
113 R A -0.5189
114 G A -0.5189
115 P A -0.7281
116 D A -0.7340
117 C A 0.0000
118 S A -0.0672
119 L A 0.4823
120 P A 0.2412
121 D A 0.0442
122 P A 0.2387
123 C A 0.4811
124 L A 1.0051
125 S A 0.3829
126 S A -0.0524
127 P A -0.3426
128 C A -1.1801
129 A A -1.6698
130 H A -1.7512
131 G A -1.2873
132 A A -1.5791
133 R A -1.8500
134 C A -0.2123
135 S A -0.1332
136 V A 0.0136
137 G A -0.6483
138 P A -1.2252
139 D A -2.2560
140 G A -1.5460
141 R A -1.8896
142 F A -0.5408
143 L A 0.0201
144 C A -0.7782
145 S A -0.9623
146 C A -1.3733
147 P A -0.8536
148 P A -0.5248
149 G A -0.9105
150 Y A -1.9173
151 Q A -2.4607
152 G A -2.5005
153 R A -2.4117
154 S A -1.9336
155 C A 0.0000
156 R A -2.9749
157 S A -2.3404
158 D A -2.0099
159 V A -1.1745
160 D A -1.1091
161 E A -1.3985
162 C A -1.3925
163 R A -1.6624
164 V A 0.1494
165 G A -1.0038
166 E A -2.3870
167 P A -1.7799
168 C A 0.0000
169 R A -3.0183
170 H A -2.1204
171 G A -1.7279
172 G A -1.7437
173 T A -1.2755
174 C A -1.4283
175 L A -0.6395
176 N A -1.1502
177 T A -0.7947
178 P A -0.9849
179 G A -1.1196
180 S A -0.8281
181 F A -0.9425
182 R A -1.8623
183 C A -1.6429
184 Q A -1.5453
185 C A -1.2749
186 P A -0.6429
187 A A 0.0149
188 G A 0.1159
189 Y A -0.3745
190 T A -0.6464
191 G A -0.9511
192 P A -1.1058
193 L A -1.4051
194 C A 0.0000
195 E A -1.7096
196 N A -1.4993
197 P A -0.2975
198 A A 0.4586
199 V A 1.2768
200 P A 0.0168
201 C A -0.1917
202 A A 0.3489
203 P A 0.0590
204 S A -0.6517
205 P A -1.1124
206 C A -2.0723
207 R A -2.7897
208 N A -1.8932
209 G A -1.2956
210 G A -1.4980
211 T A -1.1738
212 C A -1.8194
213 R A -2.9287
214 Q A -2.4297
215 S A -1.8525
216 G A -1.3581
217 D A -1.2855
218 L A 0.3475
219 T A -0.7104
220 Y A -1.6900
221 D A -2.8421
222 C A -2.2324
223 A A -0.9149
224 C A -0.8174
225 L A 0.0838
226 P A -0.0695
227 G A -0.5240
228 F A -1.0631
229 E A -2.2313
230 G A -1.9842
231 Q A -2.3079
232 N A -2.1546
233 C A 0.0000
234 E A -1.8869
235 V A -0.7011
236 N A -0.7072
237 V A -0.9762
238 D A -1.8698
239 D A -1.6436
240 C A -1.4380
241 P A -1.3287
242 G A -1.3122
243 H A -1.6060
244 R A -2.1123
245 C A 0.0000
246 L A 0.0550
247 N A -0.8657
248 G A -0.6142
249 G A -0.8264
250 T A -0.6556
251 C A -0.8422
252 V A -0.4083
253 D A -0.9951
254 G A -0.2983
255 V A 0.6586
256 N A -0.7681
257 T A -0.7292
258 Y A -1.2927
259 N A -1.8340
260 C A -1.3456
261 Q A -1.4104
262 C A -1.1118
263 P A -0.6517
264 P A -0.7410
265 E A -1.3744
266 W A -1.2414
267 T A -1.4038
268 G A -1.5324
269 Q A -1.8843
270 F A -1.3603
271 C A 0.0000
272 T A -1.1934
273 E A -2.1346
274 D A -1.5446
275 V A -1.2856
276 D A -1.7047
277 E A -1.3955
278 C A -0.9730
279 Q A -1.3161
280 L A -0.2203
281 Q A -1.5810
282 P A -1.5000
283 N A -2.1628
284 A A -1.3362
285 C A 0.0000
286 H A -2.1346
287 N A -1.6150
288 G A -0.9442
289 G A -0.1643
290 T A 0.7071
291 C A 0.4017
292 F A 1.5479
293 N A -0.1570
294 T A 0.3407
295 L A 0.6544
296 G A -0.5087
297 G A -0.2960
298 H A -0.3767
299 S A 0.2106
300 C A 0.6783
301 V A 1.9338
302 C A 0.3781
303 V A 0.5061
304 N A -0.5484
305 G A 0.0000
306 W A -0.5478
307 T A -0.9218
308 G A -1.3516
309 E A -2.0502
310 S A -1.5475
311 C A 0.0000
312 S A -1.6644
313 Q A -1.8476
314 N A -1.3651
315 I A -0.8730
316 D A -2.0275
317 D A -0.9901
318 C A -0.4075
319 A A -0.2635
320 T A 0.0211
321 A A 0.8687
322 V A 2.0004
323 C A 1.6998
324 F A 1.0434
325 H A -0.6083
326 G A -0.4400
327 A A 0.2551
328 T A 0.2950
329 C A 0.5251
330 H A -0.7380
331 D A -1.2957
332 R A -1.5147
333 V A -0.3418
334 A A -0.4983
335 S A -0.5686
336 F A 0.2230
337 Y A 1.1412
338 C A 0.0000
339 A A 0.6316
340 C A 0.5425
341 P A 0.1308
342 M A 0.7918
343 G A -0.0629
344 K A -1.0395
345 T A -0.6829
346 G A 0.3837
347 L A 2.2704
348 L A 1.7940
349 C A 0.0000
350 H A -0.0336
351 L A -1.1051
352 D A -2.1180
353 D A -1.4143
354 A A -1.1907
355 C A -0.3911
356 V A 0.8096
357 S A -0.0133
358 N A -1.1178
359 P A -1.0932
360 C A -1.4104
361 H A -2.2479
362 E A -2.9265
363 D A -2.4297
364 A A -0.9864
365 I A 0.8442
366 C A -0.1744
367 D A -1.4077
368 T A 0.0000
369 N A 0.0000
370 P A -0.2460
371 V A 0.4330
372 N A -1.2146
373 G A -1.8797
374 R A -2.2942
375 A A 0.0000
376 I A -0.5589
377 C A 0.0000
378 T A 0.1214
379 C A -0.4247
380 P A 0.0000
381 P A -0.5119
382 G A -1.0893
383 F A -1.3184
384 T A -1.1966
385 G A -1.3935
386 G A -1.3025
387 A A -1.1662
388 C A 0.0000
389 D A -2.8014
390 Q A -2.2663
391 D A -1.8893
392 V A -1.0606
393 D A -1.4343
394 E A -1.0032
395 C A -0.5338
396 S A -0.1101
397 I A 0.9900
398 G A 0.0910
399 A A -0.5576
400 N A -1.6106
401 P A -1.2027
402 C A 0.0000
403 E A -2.4780
404 H A -1.4642
405 L A -0.1895
406 G A 0.0000
407 R A -2.2293
408 C A 0.0000
409 V A -0.1175
410 N A -0.7275
411 T A -0.6350
412 Q A -1.6012
413 G A -1.3935
414 S A -0.5805
415 F A -0.0282
416 L A 0.4105
417 C A 0.0000
418 Q A -1.6027
419 C A -1.5877
420 G A -1.4034
421 R A -1.9727
422 G A 0.0000
423 Y A -0.9739
424 T A -1.4800
425 G A -1.3347
426 P A -1.2933
427 R A -2.3649
428 C A 0.0000
429 E A -1.5773
430 T A -1.2956
431 D A -1.2188
432 V A -0.5113
433 N A -0.6626
434 E A -0.5216
435 C A 0.0081
436 L A 0.9975
437 S A 0.1361
438 G A -0.4525
439 P A -0.3117
440 C A -0.9361
441 R A -2.2734
442 N A -1.9553
443 Q A -1.7965
444 A A -0.6811
445 T A -0.0846
446 C A 0.0777
447 L A -0.6909
448 D A -1.3182
449 R A -1.2554
450 I A -0.1562
451 G A 0.0000
452 Q A -1.3977
453 F A -0.3782
454 T A 0.0915
455 C A 0.4770
456 I A 1.1573
457 C A 0.5415
458 M A 0.1331
459 A A 0.2789
460 G A -0.7667
461 F A -0.2538
462 T A -0.0618
463 G A -0.0567
464 T A 0.1892
465 Y A 0.1378
466 C A 0.0000
467 E A -1.0227
468 V A -0.2837
469 D A -1.7768
470 I A -1.2518
471 D A -3.0492
472 E A -2.9863
473 C A -2.1896
474 Q A -2.2107
475 S A -1.3420
476 S A -0.6695
477 P A -0.0856
478 C A 0.2690
479 V A 0.5107
480 N A -0.7499
481 G A -0.2683
482 G A 0.3466
483 V A 1.2116
484 C A -0.5908
485 K A -2.3292
486 D A -3.6359
487 R A -2.9021
488 V A -0.6309
489 N A -1.4826
490 G A -1.4937
491 F A -1.6769
492 S A -0.8991
493 C A 0.0265
494 T A 0.3489
495 C A 0.3645
496 P A -0.3658
497 S A -1.1115
498 G A -2.0115
499 F A -1.1743
500 S A -0.6317
501 G A -0.5191
502 S A -0.2325
503 T A 0.0431
504 C A 0.0000
505 Q A -0.9817
506 L A -0.3418
507 D A -2.4840
508 V A -1.9503
509 D A -2.9116
510 E A -2.7399
511 C A -1.7516
512 A A -1.0076
513 S A -0.6940
514 T A -0.9464
515 P A -1.1251
516 C A 0.0000
517 R A -3.2221
518 N A -2.8573
519 G A -2.3237
520 A A -2.9470
521 K A -2.9864
522 C A -2.3885
523 V A -2.0745
524 D A -3.3840
525 Q A -2.8089
526 P A -2.4981
527 D A -2.8785
528 G A -2.2220
529 Y A -2.2448
530 E A -2.6728
531 C A -2.7011
532 R A -3.1879
533 C A -3.0642
534 A A -2.0398
535 E A -1.9039
536 G A 0.0000
537 F A -2.4692
538 E A -3.3597
539 G A -2.1112
540 T A -1.5354
541 L A -2.0375
542 C A 0.0000
543 D A -3.5764
544 R A -3.5295
545 N A -2.3216
546 V A -1.5715
547 D A -2.3164
548 D A -1.5305
549 C A -1.8473
550 S A -1.6402
551 P A -1.6000
552 D A -2.7903
553 P A -1.9888
554 C A 0.0000
555 H A -2.6401
556 H A -2.1228
557 G A -1.9736
558 R A -2.3291
559 C A -1.6858
560 V A -0.5540
561 D A -0.9984
562 G A 0.2878
563 I A 0.9418
564 A A 0.0500
565 S A 0.0050
566 F A -0.2846
567 S A -0.4603
568 C A -1.2798
569 A A -0.5965
570 C A -1.1960
571 A A -0.9450
572 P A -0.7034
573 G A 0.0000
574 Y A -1.1992
575 T A -1.1941
576 G A -1.3590
577 T A -1.0885
578 R A -2.4583
579 C A 0.0000
580 E A -2.8269
581 S A -1.9439
582 Q A -1.4847
583 V A -1.4108
584 D A -2.5214
585 E A -2.2143
586 C A -2.2937
587 R A -2.9462
588 S A -1.9214
589 Q A -2.6000
590 P A -1.4667
591 C A -1.7763
592 R A -2.7707
593 H A -1.8348
594 G A -2.1532
595 G A -2.2791
596 K A -2.7899
597 C A -1.7442
598 L A -0.9809
599 D A -1.7359
600 L A -0.0017
601 V A 0.1510
602 D A -1.9866
603 K A -1.7494
604 Y A -0.5683
605 L A 0.4088
606 C A -1.0063
607 R A -2.0735
608 C A -1.3047
609 P A -1.2956
610 S A -0.5295
611 G A -0.7617
612 T A 0.0000
613 T A 0.1193
614 G A 0.4538
615 V A 1.4312
616 N A -0.4469
617 C A 0.0000
618 E A -0.6000
619 V A 0.5971
620 N A -0.7645
621 I A -0.2962
622 D A -2.2950
623 D A -2.7033
624 C A 0.0000
625 A A -1.0761
626 S A -1.2026
627 N A -1.3370
628 P A -0.6118
629 C A -0.1492
630 T A 0.1819
631 F A 0.6767
632 G A 0.2587
633 V A 0.6030
634 C A -0.8081
635 R A -2.5522
636 D A -2.6018
637 G A -1.9606
638 I A -0.7292
639 N A -2.1121
640 R A -3.0574
641 Y A -2.5571
642 D A -2.1061
643 C A -0.4657
644 V A 0.5982
645 C A 0.2283
646 Q A -1.2423
647 P A -1.3667
648 G A -2.0322
649 F A -0.9141
650 T A 0.0064
651 G A 0.1407
652 P A -0.1343
653 L A 0.5520
654 C A 0.0000
655 N A -0.6616
656 V A 0.0316
657 E A -2.0363
658 I A -1.2840
659 N A -2.0725
660 E A -2.2766
661 C A -0.9038
662 A A -0.6467
663 S A -0.6717
664 S A -0.4746
665 P A -0.4767
666 C A -0.1506
667 G A -0.7518
668 E A -2.0498
669 G A -1.2862
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1997 N A -0.6154
1998 R A -1.0534
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2253 E A -2.5019
2254 H A -1.4154
2255 W A 0.1507
2256 A A -0.1218
2257 S A 0.1200
2258 P A 0.0659
2259 S A -0.0160
2260 P A -0.3333
2261 P A -0.8133
2262 S A -0.5277
2263 L A 0.0617
2264 S A -0.2663
2265 D A -1.3626
2266 W A -0.2113
2267 S A -0.8650
2268 E A -1.9887
2269 S A -0.8915
2270 T A -0.8180
2271 P A -0.7470
2272 S A -0.4926
2273 P A -0.4102
2274 A A -0.1791
2275 T A -0.1765
2276 A A -0.1362
2277 T A -0.1543
2278 G A -0.2050
2279 A A 0.3349
2280 M A 0.9645
2281 A A 0.4649
2282 T A 0.1333
2283 T A -0.3074
2284 T A -0.3707
2285 G A -0.5364
2286 A A 0.5171
2287 L A 1.2184
2288 P A 0.1394
2289 A A -0.0752
2290 Q A -0.7719
2291 P A 0.0237
2292 L A 1.3908
2293 P A 1.1863
2294 L A 2.1775
2295 S A 1.4544
2296 V A 1.8516
2297 P A 0.5733
2298 S A 0.3558
2299 S A 0.4628
2300 L A 1.1458
2301 A A 0.1532
2302 Q A -1.0804
2303 A A -1.2159
2304 Q A -1.5799
2305 T A -0.8837
2306 Q A -0.8881
2307 L A 0.3954
2308 G A -0.4807
2309 P A -0.9606
2310 Q A -1.5302
2311 P A -1.4128
2312 E A -1.3399
2313 V A 0.3641
2314 T A -0.4477
2315 P A -1.3613
2316 K A -2.9185
2317 R A -3.0325
2318 Q A -1.2953
2319 V A 1.5858
2320 L A 2.2014
2321 A A 1.0812
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