-
Notifications
You must be signed in to change notification settings - Fork 1
/
1LK2.pdb
executable file
·3748 lines (3748 loc) · 293 KB
/
1LK2.pdb
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43
44
45
46
47
48
49
50
51
52
53
54
55
56
57
58
59
60
61
62
63
64
65
66
67
68
69
70
71
72
73
74
75
76
77
78
79
80
81
82
83
84
85
86
87
88
89
90
91
92
93
94
95
96
97
98
99
100
101
102
103
104
105
106
107
108
109
110
111
112
113
114
115
116
117
118
119
120
121
122
123
124
125
126
127
128
129
130
131
132
133
134
135
136
137
138
139
140
141
142
143
144
145
146
147
148
149
150
151
152
153
154
155
156
157
158
159
160
161
162
163
164
165
166
167
168
169
170
171
172
173
174
175
176
177
178
179
180
181
182
183
184
185
186
187
188
189
190
191
192
193
194
195
196
197
198
199
200
201
202
203
204
205
206
207
208
209
210
211
212
213
214
215
216
217
218
219
220
221
222
223
224
225
226
227
228
229
230
231
232
233
234
235
236
237
238
239
240
241
242
243
244
245
246
247
248
249
250
251
252
253
254
255
256
257
258
259
260
261
262
263
264
265
266
267
268
269
270
271
272
273
274
275
276
277
278
279
280
281
282
283
284
285
286
287
288
289
290
291
292
293
294
295
296
297
298
299
300
301
302
303
304
305
306
307
308
309
310
311
312
313
314
315
316
317
318
319
320
321
322
323
324
325
326
327
328
329
330
331
332
333
334
335
336
337
338
339
340
341
342
343
344
345
346
347
348
349
350
351
352
353
354
355
356
357
358
359
360
361
362
363
364
365
366
367
368
369
370
371
372
373
374
375
376
377
378
379
380
381
382
383
384
385
386
387
388
389
390
391
392
393
394
395
396
397
398
399
400
401
402
403
404
405
406
407
408
409
410
411
412
413
414
415
416
417
418
419
420
421
422
423
424
425
426
427
428
429
430
431
432
433
434
435
436
437
438
439
440
441
442
443
444
445
446
447
448
449
450
451
452
453
454
455
456
457
458
459
460
461
462
463
464
465
466
467
468
469
470
471
472
473
474
475
476
477
478
479
480
481
482
483
484
485
486
487
488
489
490
491
492
493
494
495
496
497
498
499
500
501
502
503
504
505
506
507
508
509
510
511
512
513
514
515
516
517
518
519
520
521
522
523
524
525
526
527
528
529
530
531
532
533
534
535
536
537
538
539
540
541
542
543
544
545
546
547
548
549
550
551
552
553
554
555
556
557
558
559
560
561
562
563
564
565
566
567
568
569
570
571
572
573
574
575
576
577
578
579
580
581
582
583
584
585
586
587
588
589
590
591
592
593
594
595
596
597
598
599
600
601
602
603
604
605
606
607
608
609
610
611
612
613
614
615
616
617
618
619
620
621
622
623
624
625
626
627
628
629
630
631
632
633
634
635
636
637
638
639
640
641
642
643
644
645
646
647
648
649
650
651
652
653
654
655
656
657
658
659
660
661
662
663
664
665
666
667
668
669
670
671
672
673
674
675
676
677
678
679
680
681
682
683
684
685
686
687
688
689
690
691
692
693
694
695
696
697
698
699
700
701
702
703
704
705
706
707
708
709
710
711
712
713
714
715
716
717
718
719
720
721
722
723
724
725
726
727
728
729
730
731
732
733
734
735
736
737
738
739
740
741
742
743
744
745
746
747
748
749
750
751
752
753
754
755
756
757
758
759
760
761
762
763
764
765
766
767
768
769
770
771
772
773
774
775
776
777
778
779
780
781
782
783
784
785
786
787
788
789
790
791
792
793
794
795
796
797
798
799
800
801
802
803
804
805
806
807
808
809
810
811
812
813
814
815
816
817
818
819
820
821
822
823
824
825
826
827
828
829
830
831
832
833
834
835
836
837
838
839
840
841
842
843
844
845
846
847
848
849
850
851
852
853
854
855
856
857
858
859
860
861
862
863
864
865
866
867
868
869
870
871
872
873
874
875
876
877
878
879
880
881
882
883
884
885
886
887
888
889
890
891
892
893
894
895
896
897
898
899
900
901
902
903
904
905
906
907
908
909
910
911
912
913
914
915
916
917
918
919
920
921
922
923
924
925
926
927
928
929
930
931
932
933
934
935
936
937
938
939
940
941
942
943
944
945
946
947
948
949
950
951
952
953
954
955
956
957
958
959
960
961
962
963
964
965
966
967
968
969
970
971
972
973
974
975
976
977
978
979
980
981
982
983
984
985
986
987
988
989
990
991
992
993
994
995
996
997
998
999
1000
HEADER IMMUNE SYSTEM 23-APR-02 1LK2
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: H-2 CLASS I HISTOCOMPATIBILITY ANTIGEN, K-B ALPHA CHAIN;
COMPND 3 CHAIN: A;
COMPND 4 FRAGMENT: EXTRACELLULAR DOMAIN, SEQUENCE DATABASE RESIDUES 22-295,
COMPND 5 NUMBERED 1-274;
COMPND 6 SYNONYM: MHC CLASS I H-2KB HEAVY CHAIN;
COMPND 7 ENGINEERED: YES;
COMPND 9 MOLECULE: BETA-2-MICROGLOBULIN;
COMPND 10 CHAIN: B;
COMPND 11 FRAGMENT: SEQUENCE DATABASE RESIDUES 21-119, NUMBERED 1-99;
COMPND 12 ENGINEERED: YES;
COMPND 14 MOLECULE: INSULIN RECEPTOR, BETA-SUBUNIT;
COMPND 15 CHAIN: P;
COMPND 16 FRAGMENT: SEQUENCE DATABASE RESIDUES 423-430, NUMBERED 1-8;
COMPND 17 SYNONYM: GNYSFYAL PEPTIDE;
COMPND 18 ENGINEERED: YES
SOURCE MOL_ID: 1;
SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS;
SOURCE 3 ORGANISM_COMMON: HOUSE MOUSE;
SOURCE 4 ORGANISM_TAXID: 10090;
SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21(DE3);
SOURCE 6 EXPRESSION_SYSTEM_TAXID: 469008;
SOURCE 7 EXPRESSION_SYSTEM_STRAIN: BL21(DE3);
SOURCE 8 EXPRESSION_SYSTEM_PLASMID: PET22B(+);
SOURCE 10 ORGANISM_SCIENTIFIC: MUS MUSCULUS;
SOURCE 11 ORGANISM_COMMON: HOUSE MOUSE;
SOURCE 12 ORGANISM_TAXID: 10090;
SOURCE 13 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21(DE3);
SOURCE 14 EXPRESSION_SYSTEM_TAXID: 469008;
SOURCE 15 EXPRESSION_SYSTEM_STRAIN: BL21(DE3);
SOURCE 16 EXPRESSION_SYSTEM_PLASMID: PET22B(+);
SOURCE 18 SYNTHETIC: YES;
SOURCE 19 OTHER_DETAILS: THE PEPTIDE WAS CHEMICALLY SYNTHESIZED. THE SEQUENCE
SOURCE 20 OF THE PEPTIDE IS FOUND NATURALLY IN MUS MUSCULUS.
KEYWDS CLASS I MHC-PEPTIDE COMPLEX, HIGH RESOLUTION, ANISOTROPIC AND TLS
KEYWDS 2 REFINEMENT, IMMUNE SYSTEM
AUTHOR J.G.LUZ,M.G.RUDOLPH,I.A.WILSON,H.EISEN
REVDAT 4 13-JUL-11 1LK2 1 VERSN
REVDAT 3 24-FEB-09 1LK2 1 VERSN
REVDAT 2 05- PR-05 1LK2 1 JRNL
REVDAT 1 11-NOV-03 1LK2 0
JRNL AUTH M.G.RUDOLPH,L.Q.SHEN,S.A.LAMONTAGNE,J.G.LUZ,J.R.DELANEY,
JRNL AUTH 2 Q.GE,B.K.CHO,D.PALLISER,C.A.MCKINLEY,J.CHEN,I.A.WILSON,
JRNL AUTH 3 H.N.EISEN
JRNL TITL A PEPTIDE THAT ANTAGONIZES TCR-MEDIATED REACTIONS WITH BOTH
JRNL TITL 2 SYNGENEIC AND ALLOGENEIC AGONISTS: FUNCTIONAL AND STRUCTURAL
JRNL TITL 3 ASPECTS.
JRNL REF J.IMMUNOL. V. 172 2994 2004
JRNL REFN ISSN 0022-1767
JRNL PMID 14978103
REMARK 2
REMARK 2 RESOLUTION. 1.35 ANGSTROMS.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : REFMAC 5
REMARK 3 AUTHORS : MURSHUDOV,VAGIN,DODSON
REMARK 3
REMARK 3 REFINEMENT TARGET : ENGH & HUBER
REMARK 3
REMARK 3 DATA USED IN REFINEMENT.
REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 1.35
REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 18.35
REMARK 3 DAT CUTOFF (SIGMA(F)) : 0.000
REMARK 3 COMPLETENESS FOR RANGE (%) : 93.6
REMARK 3
REMARK 3 FIT TO DATA USED IN REFINEMENT.
REMARK 3 CROSS-VALIDATION METHOD : THROUGHOUT
REMARK 3 FREE R VALUE TEST SET SELECTION : RANDOM
REMARK 3 R V LUE (WORKING + TEST SET) : 0.150
REMARK 3 R V LUE (WORKING SET) : 0.149
REMARK 3 FREE R VALUE : 0.164
REMARK 3 FREE R VALUE TEST SET SIZE (%) : 5.000
REMARK 3 FREE R VALUE TEST SET COUNT : 5552
REMARK 3
REMARK 3 FIT IN THE HIGHEST RESOLUTION BIN.
REMARK 3 TOT L NUMBER OF BINS USED : 20
REMARK 3 BIN RESOLUTION RANGE HIGH (A) : 1.35
REMARK 3 BIN RESOLUTION RANGE LOW (A) : 1.39
REMARK 3 REFLECTION IN BIN (WORKING SET) : 6364
REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : NULL
REMARK 3 BIN R VALUE (WORKING SET) : 0.2610
REMARK 3 BIN FREE R VALUE SET COUNT : 357
REMARK 3 BIN FREE R VALUE : 0.2820
REMARK 3
REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT.
REMARK 3 PROTEIN ATOMS : 3119
REMARK 3 NUCLEIC ACID ATOMS : 0
REMARK 3 HETEROGEN ATOMS : 67
REMARK 3 SOLVENT ATOMS : 387
REMARK 3
REMARK 3 B VALUES.
REMARK 3 FROM WILSON PLOT (A**2) : 16.50
REMARK 3 MEAN B VALUE (OVERALL, A**2) : 9.96
REMARK 3 OVERALL ANISOTROPIC B VALUE.
REMARK 3 B11 (A**2) : -0.26000
REMARK 3 B22 (A**2) : 0.44000
REMARK 3 B33 (A**2) : -0.18000
REMARK 3 B12 (A**2) : 0.00000
REMARK 3 B13 (A**2) : 0.00000
REMARK 3 B23 (A**2) : 0.00000
REMARK 3
REMARK 3 ESTIMATED OVERALL COORDINATE ERROR.
REMARK 3 ESU BASED ON R VALUE (A): 0.047
REMARK 3 ESU BASED ON FREE R VALUE (A): 0.043
REMARK 3 ESU BASED ON MAXIMUM LIKELIHOOD (A): 0.041
REMARK 3 ESU FOR B VALUES BASED ON MAXIMUM LIKELIHOOD (A**2): 2.001
REMARK 3
REMARK 3 CORRELATION COEFFICIENTS.
REMARK 3 CORRELATION COEFFICIENT FO-FC : 0.973
REMARK 3 CORRELATION COEFFICIENT FO-FC FREE : 0.970
REMARK 3
REMARK 3 TORSION ANGLES, PERIOD 1 (DEGREES): 378 ; 5.638 ; 3.000
REMARK 3 TORSION ANGLES, PERIOD 2 (DEGREES): 606 ;16.934 ;15.000
REMARK 3 TORSION ANGLES, PERIOD 3 (DEGREES): NULL ; NULL ; NULL
REMARK 3 TORSION ANGLES, PERIOD 4 (DEGREES): NULL ; NULL ; NULL
REMARK 3 CHIRAL-CENTER RESTRAINTS (A**3): 481 ; 0.166 ; 0.200
REMARK 3 GENERAL PLANES REFINED ATOMS (A): 3618 ; 0.007 ; 0.020
REMARK 3 GENERAL PLANES OTHERS (A): 692 ; 0.002 ; 0.020
REMARK 3 NON-BONDED CONTACTS REFINED ATOMS (A): 582 ; 0.218 ; 0.300
REMARK 3 NON-BONDED CONTACTS OTHERS (A): 2755 ; 0.201 ; 0.300
REMARK 3 NON-BONDED TORSION REFINED ATOMS (A): NULL ; NULL ; NULL
REMARK 3 NON-BONDED TORSION OTHERS (A): 4 ; 0.566 ; 0.500
REMARK 3 H-BOND (X...Y) REFINED ATOMS (A): 370 ; 0.170 ; 0.500
REMARK 3 H-BOND (X...Y) OTHERS (A): NULL ; NULL ; NULL
REMARK 3 POTENTIAL METAL-ION REFINED ATOMS (A): NULL ; NULL ; NULL
REMARK 3 POTENTIAL METAL-ION OTHERS (A): NULL ; NULL ; NULL
REMARK 3 SYMMETRY VDW REFINED ATOMS (A): 9 ; 0.176 ; 0.300
REMARK 3 SYMMETRY VDW OTHERS (A): 52 ; 0.196 ; 0.300
REMARK 3 SYMMETRY H-BOND REFINED ATOMS (A): 22 ; 0.222 ; 0.500
REMARK 3 SYMMETRY H-BOND OTHERS (A): 1 ; 0.128 ; 0.500
REMARK 3 SYMMETRY METAL-ION REFINED ATOMS (A): NULL ; NULL ; NULL
REMARK 3 SYMMETRY METAL-ION OTHERS (A): NULL ; NULL ; NULL
REMARK 3
REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS. COUNT RMS WEIGHT
REMARK 3 MAIN-CHAIN BOND REFINED ATOMS (A**2): 1916 ; 1.124 ; 1.500
REMARK 3 MAIN-CHAIN BOND OTHER ATOMS (A**2): NULL ; NULL ; NULL
REMARK 3 MAIN-CHAIN ANGLE REFINED ATOMS (A**2): 3118 ; 1.691 ; 2.000
REMARK 3 SIDE-CHAIN BOND REFINED ATOMS (A**2): 1426 ; 2.755 ; 3.000
REMARK 3 SIDE-CHAIN ANGLE REFINED ATOMS (A**2): 1430 ; 4.043 ; 4.500
REMARK 3
REMARK 3 ANISOTROPIC THERMAL FACTOR RESTRAINTS. COUNT RMS WEIGHT
REMARK 3 RIGID-BOND RESTRAINTS (A**2): 3342 ; 1.163 ; 2.000
REMARK 3 SPHERICITY; FREE ATOMS (A**2): 387 ;20.989 ; NULL
REMARK 3 SPHERICITY; BONDED ATOMS (A**2): 3249 ; 3.587 ; NULL
REMARK 3
REMARK 3 NCS RESTRAINTS STATISTICS
REMARK 3
REMARK 3
REMARK 3 TLS GROUP : 1
REMARK 3 NUMBER OF COMPONENTS GROUP : 1
REMARK 3 COMPONENTS C SSSEQI TO C SSSEQI
REMARK 3 RESIDUE RANGE : A 1 A 12
REMARK 3 ORIGIN FOR THE GROUP (A): 48.3671 47.6778 -0.5700
REMARK 3 T TENSOR
REMARK 3 T11: 0.0655 T22: 0.0429
REMARK 3 T33: 0.0157 T12: 0.0070
REMARK 3 T13: 0.0110 T23: 0.0078
REMARK 3 L TENSOR
REMARK 3 L11: 11.3592 L22: 1.2999
REMARK 3 L33: 2.0030 L12: 0.9683
REMARK 3 L13: 3.5683 L23: 0.3897
REMARK 3 S TENSOR
REMARK 3 S11: 0.0267 S12: 0.1910 S13: -0.3310
REMARK 3 S21: 0.0011 S22: 0.0149 S23: -0.0801
REMARK 3 S31: 0.0777 S32: 0.0987 S33: -0.0415
REMARK 3
REMARK 3 TLS GROUP : 2
REMARK 3 NUMBER OF COMPONENTS GROUP : 1
REMARK 3 COMPONENTS C SSSEQI TO C SSSEQI
REMARK 3 RESIDUE RANGE : A 13 A 21
REMARK 3 ORIGIN FOR THE GROUP (A): 25.6094 46.8227 -3.3321
REMARK 3 T TENSOR
REMARK 3 T11: 0.0958 T22: 0.1405
REMARK 3 T33: 0.1477 T12: -0.0086
REMARK 3 T13: 0.0121 T23: 0.0038
REMARK 3 L TENSOR
REMARK 3 L11: 15.2110 L22: 3.6528
REMARK 3 L33: 2.7938 L12: 2.3248
REMARK 3 L13: 3.1292 L23: 1.3549
REMARK 3 S TENSOR
REMARK 3 S11: 0.1625 S12: -0.2456 S13: -0.1402
REMARK 3 S21: 0.2304 S22: -0.0718 S23: 0.5526
REMARK 3 S31: -0.0233 S32: -0.3899 S33: -0.0907
REMARK 3
REMARK 3 TLS GROUP : 3
REMARK 3 NUMBER OF COMPONENTS GROUP : 1
REMARK 3 COMPONENTS C SSSEQI TO C SSSEQI
REMARK 3 RESIDUE RANGE : A 22 A 28
REMARK 3 ORIGIN FOR THE GROUP (A): 42.9550 48.0603 2.7054
REMARK 3 T TENSOR
REMARK 3 T11: 0.0630 T22: 0.0314
REMARK 3 T33: 0.0109 T12: -0.0028
REMARK 3 T13: 0.0117 T23: -0.0107
REMARK 3 L TENSOR
REMARK 3 L11: 13.1154 L22: 1.5264
REMARK 3 L33: 1.6037 L12: -3.9880
REMARK 3 L13: 2.8942 L23: -1.3983
REMARK 3 S TENSOR
REMARK 3 S11: -0.0185 S12: -0.1284 S13: -0.1069
REMARK 3 S21: 0.0412 S22: 0.0007 S23: 0.0660
REMARK 3 S31: -0.0083 S32: -0.0829 S33: 0.0179
REMARK 3
REMARK 3 TLS GROUP : 4
REMARK 3 NUMBER OF COMPONENTS GROUP : 1
REMARK 3 COMPONENTS C SSSEQI TO C SSSEQI
REMARK 3 RESIDUE RANGE : A 28 A 34
REMARK 3 ORIGIN FOR THE GROUP (A): 49.7289 46.1443 7.3466
REMARK 3 T TENSOR
REMARK 3 T11: 0.0756 T22: 0.0304
REMARK 3 T33: 0.0280 T12: -0.0062
REMARK 3 T13: 0.0030 T23: -0.0033
REMARK 3 L TENSOR
REMARK 3 L11: 12.1370 L22: 2.7053
REMARK 3 L33: 6.8109 L12: -2.3825
REMARK 3 L13: -5.8670 L23: -0.8969
REMARK 3 S TENSOR
REMARK 3 S11: -0.2380 S12: -0.1885 S13: -0.3800
REMARK 3 S21: -0.0076 S22: 0.0235 S23: -0.1933
REMARK 3 S31: 0.3241 S32: 0.1414 S33: 0.2145
REMARK 3
REMARK 3 TLS GROUP : 5
REMARK 3 NUMBER OF COMPONENTS GROUP : 1
REMARK 3 COMPONENTS C SSSEQI TO C SSSEQI
REMARK 3 RESIDUE RANGE : A 34 A 37
REMARK 3 ORIGIN FOR THE GROUP (A): 37.3164 49.1153 6.6088
REMARK 3 T TENSOR
REMARK 3 T11: 0.0804 T22: 0.0782
REMARK 3 T33: 0.0308 T12: 0.0042
REMARK 3 T13: 0.0089 T23: 0.0055
REMARK 3 L TENSOR
REMARK 3 L11: 19.4594 L22: 2.9915
REMARK 3 L33: 7.7910 L12: 1.1131
REMARK 3 L13: 6.5333 L23: 3.0333
REMARK 3 S TENSOR
REMARK 3 S11: 0.1616 S12: -0.4183 S13: -0.5900
REMARK 3 S21: 0.3446 S22: 0.0473 S23: 0.2017
REMARK 3 S31: 0.3621 S32: -0.3102 S33: -0.2089
REMARK 3
REMARK 3 TLS GROUP : 6
REMARK 3 NUMBER OF COMPONENTS GROUP : 1
REMARK 3 COMPONENTS C SSSEQI TO C SSSEQI
REMARK 3 RESIDUE RANGE : A 37 A 50
REMARK 3 ORIGIN FOR THE GROUP (A): 37.7884 50.6254 11.2805
REMARK 3 T TENSOR
REMARK 3 T11: 0.1088 T22: 0.1354
REMARK 3 T33: 0.0655 T12: -0.0040
REMARK 3 T13: 0.0294 T23: 0.0018
REMARK 3 L TENSOR
REMARK 3 L11: 8.4306 L22: 2.0936
REMARK 3 L33: 7.1099 L12: -0.4816
REMARK 3 L13: 5.3446 L23: -0.4060
REMARK 3 S TENSOR
REMARK 3 S11: 0.0094 S12: -0.6265 S13: 0.0418
REMARK 3 S21: 0.1323 S22: 0.0332 S23: 0.3089
REMARK 3 S31: 0.0692 S32: -0.8160 S33: -0.0426
REMARK 3
REMARK 3 TLS GROUP : 7
REMARK 3 NUMBER OF COMPONENTS GROUP : 1
REMARK 3 COMPONENTS C SSSEQI TO C SSSEQI
REMARK 3 RESIDUE RANGE : A 50 A 56
REMARK 3 ORIGIN FOR THE GROUP (A): 49.8050 53.9158 15.5799
REMARK 3 T TENSOR
REMARK 3 T11: 0.0828 T22: 0.0797
REMARK 3 T33: 0.0488 T12: -0.0025
REMARK 3 T13: 0.0016 T23: -0.0098
REMARK 3 L TENSOR
REMARK 3 L11: 2.5238 L22: 5.4545
REMARK 3 L33: 5.8905 L12: -0.2998
REMARK 3 L13: 2.0141 L23: -0.5042
REMARK 3 S TENSOR
REMARK 3 S11: -0.0118 S12: -0.0756 S13: 0.1178
REMARK 3 S21: 0.0952 S22: 0.0683 S23: -0.1948
REMARK 3 S31: -0.2410 S32: 0.2202 S33: -0.0565
REMARK 3
REMARK 3 TLS GROUP : 8
REMARK 3 NUMBER OF COMPONENTS GROUP : 1
REMARK 3 COMPONENTS C SSSEQI TO C SSSEQI
REMARK 3 RESIDUE RANGE : A 57 A 85
REMARK 3 ORIGIN FOR THE GROUP (A): 35.8995 56.7535 -2.7568
REMARK 3 T TENSOR
REMARK 3 T11: 0.0888 T22: 0.0418
REMARK 3 T33: 0.0645 T12: 0.0082
REMARK 3 T13: 0.0061 T23: 0.0099
REMARK 3 L TENSOR
REMARK 3 L11: 2.3458 L22: 0.7507
REMARK 3 L33: 10.0158 L12: 0.4613
REMARK 3 L13: 3.6892 L23: 1.7546
REMARK 3 S TENSOR
REMARK 3 S11: -0.1000 S12: -0.0946 S13: 0.0800
REMARK 3 S21: -0.0316 S22: -0.0384 S23: 0.1133
REMARK 3 S31: -0.2260 S32: -0.3224 S33: 0.1384
REMARK 3
REMARK 3 TLS GROUP : 9
REMARK 3 NUMBER OF COMPONENTS GROUP : 1
REMARK 3 COMPONENTS C SSSEQI TO C SSSEQI
REMARK 3 RESIDUE RANGE : A 85 A 94
REMARK 3 ORIGIN FOR THE GROUP (A): 26.7655 45.7639 -15.1340
REMARK 3 T TENSOR
REMARK 3 T11: 0.1227 T22: 0.1891
REMARK 3 T33: 0.1781 T12: 0.0031
REMARK 3 T13: -0.0528 T23: -0.0099
REMARK 3 L TENSOR
REMARK 3 L11: 5.3931 L22: 4.1721
REMARK 3 L33: 16.6553 L12: -0.0905
REMARK 3 L13: 3.3128 L23: -5.2326
REMARK 3 S TENSOR
REMARK 3 S11: 0.0782 S12: 0.1817 S13: -0.1463
REMARK 3 S21: -0.2766 S22: 0.3304 S23: 0.7136
REMARK 3 S31: -0.0095 S32: -1.2758 S33: -0.4086
REMARK 3
REMARK 3 TLS GROUP : 10
REMARK 3 NUMBER OF COMPONENTS GROUP : 1
REMARK 3 COMPONENTS C SSSEQI TO C SSSEQI
REMARK 3 RESIDUE RANGE : A 94 A 103
REMARK 3 ORIGIN FOR THE GROUP (A): 48.1138 49.3361 -5.2211
REMARK 3 T TENSOR
REMARK 3 T11: 0.0699 T22: 0.0647
REMARK 3 T33: 0.0122 T12: -0.0047
REMARK 3 T13: 0.0124 T23: 0.0137
REMARK 3 L TENSOR
REMARK 3 L11: 17.6740 L22: 1.8878
REMARK 3 L33: 2.5940 L12: 4.4058
REMARK 3 L13: 6.3696 L23: 1.5216
REMARK 3 S TENSOR
REMARK 3 S11: -0.0543 S12: 0.0157 S13: 0.2513
REMARK 3 S21: -0.0268 S22: -0.0748 S23: -0.0289
REMARK 3 S31: -0.0778 S32: 0.0510 S33: 0.1291
REMARK 3
REMARK 3 TLS GROUP : 11
REMARK 3 NUMBER OF COMPONENTS GROUP : 1
REMARK 3 COMPONENTS C SSSEQI TO C SSSEQI
REMARK 3 RESIDUE RANGE : A 103 A 111
REMARK 3 ORIGIN FOR THE GROUP (A): 63.6662 52.9449 -2.3470
REMARK 3 T TENSOR
REMARK 3 T11: 0.0726 T22: 0.1128
REMARK 3 T33: 0.1156 T12: 0.0006
REMARK 3 T13: 0.0218 T23: 0.0209
REMARK 3 L TENSOR
REMARK 3 L11: 14.6813 L22: 2.9026
REMARK 3 L33: 23.1597 L12: 0.4997
REMARK 3 L13: 11.6973 L23: 1.2473
REMARK 3 S TENSOR
REMARK 3 S11: 0.1902 S12: 0.6297 S13: -0.2621
REMARK 3 S21: -0.1666 S22: 0.0394 S23: -0.4774
REMARK 3 S31: -0.0239 S32: 0.4316 S33: -0.2297
REMARK 3
REMARK 3 TLS GROUP : 12
REMARK 3 NUMBER OF COMPONENTS GROUP : 1
REMARK 3 COMPONENTS C SSSEQI TO C SSSEQI
REMARK 3 RESIDUE RANGE : A 111 A 118
REMARK 3 ORIGIN FOR THE GROUP (A): 45.6445 49.1877 -10.7195
REMARK 3 T TENSOR
REMARK 3 T11: 0.0862 T22: 0.0602
REMARK 3 T33: 0.0064 T12: 0.0017
REMARK 3 T13: 0.0037 T23: 0.0194
REMARK 3 L TENSOR
REMARK 3 L11: 15.9485 L22: 4.3447
REMARK 3 L33: 3.4285 L12: 8.1043
REMARK 3 L13: 4.8704 L23: 2.8315
REMARK 3 S TENSOR
REMARK 3 S11: 0.0096 S12: 0.0393 S13: -0.3056
REMARK 3 S21: -0.1278 S22: 0.0043 S23: -0.1337
REMARK 3 S31: -0.0182 S32: 0.1810 S33: -0.0139
REMARK 3
REMARK 3 TLS GROUP : 13
REMARK 3 NUMBER OF COMPONENTS GROUP : 1
REMARK 3 COMPONENTS C SSSEQI TO C SSSEQI
REMARK 3 RESIDUE RANGE : A 118 A 124
REMARK 3 ORIGIN FOR THE GROUP (A): 41.2205 46.2189 -15.7451
REMARK 3 T TENSOR
REMARK 3 T11: 0.0992 T22: 0.0806
REMARK 3 T33: 0.0136 T12: 0.0036
REMARK 3 T13: -0.0106 T23: -0.0108
REMARK 3 L TENSOR
REMARK 3 L11: 5.8914 L22: 2.6364
REMARK 3 L33: 4.7154 L12: 2.1962
REMARK 3 L13: -2.6573 L23: -2.6497
REMARK 3 S TENSOR
REMARK 3 S11: -0.0005 S12: 0.1639 S13: -0.3290
REMARK 3 S21: -0.2783 S22: -0.0345 S23: 0.0016
REMARK 3 S31: 0.2708 S32: -0.0570 S33: 0.0349
REMARK 3
REMARK 3 TLS GROUP : 14
REMARK 3 NUMBER OF COMPONENTS GROUP : 1
REMARK 3 COMPONENTS C SSSEQI TO C SSSEQI
REMARK 3 RESIDUE RANGE : A 124 A 126
REMARK 3 ORIGIN FOR THE GROUP (A): 50.5740 52.8323 -13.8448
REMARK 3 T TENSOR
REMARK 3 T11: 0.0847 T22: 0.1158
REMARK 3 T33: 0.0122 T12: 0.0043
REMARK 3 T13: 0.0042 T23: 0.0238
REMARK 3 L TENSOR
REMARK 3 L11: 24.7632 L22: 14.5525
REMARK 3 L33: 13.0121 L12: 14.7963
REMARK 3 L13: 5.5843 L23: 12.9099
REMARK 3 S TENSOR
REMARK 3 S11: 0.0888 S12: -0.7249 S13: -0.2348
REMARK 3 S21: -0.2458 S22: 0.0856 S23: -0.3725
REMARK 3 S31: -0.3021 S32: -0.0536 S33: -0.1744
REMARK 3
REMARK 3 TLS GROUP : 15
REMARK 3 NUMBER OF COMPONENTS GROUP : 1
REMARK 3 COMPONENTS C SSSEQI TO C SSSEQI
REMARK 3 RESIDUE RANGE : A 126 A 133
REMARK 3 ORIGIN FOR THE GROUP (A): 54.5962 55.8510 -15.6014
REMARK 3 T TENSOR
REMARK 3 T11: 0.1096 T22: 0.1723
REMARK 3 T33: 0.0619 T12: -0.0325
REMARK 3 T13: 0.0290 T23: -0.0038
REMARK 3 L TENSOR
REMARK 3 L11: 13.6935 L22: 10.6377
REMARK 3 L33: 21.0918 L12: 3.4484
REMARK 3 L13: 12.3699 L23: 4.2401
REMARK 3 S TENSOR
REMARK 3 S11: -0.2905 S12: 0.0302 S13: 0.2273
REMARK 3 S21: -0.4274 S22: 0.1842 S23: -0.3820
REMARK 3 S31: -0.4158 S32: 0.8478 S33: 0.1063
REMARK 3
REMARK 3 TLS GROUP : 16
REMARK 3 NUMBER OF COMPONENTS GROUP : 1
REMARK 3 COMPONENTS C SSSEQI TO C SSSEQI
REMARK 3 RESIDUE RANGE : A 133 A 137
REMARK 3 ORIGIN FOR THE GROUP (A): 45.2665 48.8651 -21.2958
REMARK 3 T TENSOR
REMARK 3 T11: 0.1230 T22: 0.0721
REMARK 3 T33: 0.0182 T12: 0.0099
REMARK 3 T13: 0.0135 T23: -0.0099
REMARK 3 L TENSOR
REMARK 3 L11: 2.9466 L22: 8.5900
REMARK 3 L33: 5.3341 L12: 3.8505
REMARK 3 L13: 3.9492 L23: 2.0690
REMARK 3 S TENSOR
REMARK 3 S11: 0.0101 S12: 0.2300 S13: -0.3828
REMARK 3 S21: -0.0227 S22: 0.0711 S23: -0.0166
REMARK 3 S31: 0.1490 S32: 0.1606 S33: -0.0812
REMARK 3
REMARK 3 TLS GROUP : 17
REMARK 3 NUMBER OF COMPONENTS GROUP : 1
REMARK 3 COMPONENTS C SSSEQI TO C SSSEQI
REMARK 3 RESIDUE RANGE : A 138 A 151
REMARK 3 ORIGIN FOR THE GROUP (A): 42.2435 57.7668 -20.9060
REMARK 3 T TENSOR
REMARK 3 T11: 0.0875 T22: 0.0642
REMARK 3 T33: 0.0264 T12: 0.0221
REMARK 3 T13: 0.0058 T23: 0.0129
REMARK 3 L TENSOR
REMARK 3 L11: 4.3345 L22: 9.3037
REMARK 3 L33: 6.2402 L12: 1.8849
REMARK 3 L13: 1.0106 L23: 3.4757
REMARK 3 S TENSOR
REMARK 3 S11: -0.0841 S12: 0.1456 S13: 0.1697
REMARK 3 S21: -0.3087 S22: 0.0332 S23: 0.0224
REMARK 3 S31: -0.2241 S32: 0.0768 S33: 0.0509
REMARK 3
REMARK 3 TLS GROUP : 18
REMARK 3 NUMBER OF COMPONENTS GROUP : 1
REMARK 3 COMPONENTS C SSSEQI TO C SSSEQI
REMARK 3 RESIDUE RANGE : A 152 A 162
REMARK 3 ORIGIN FOR THE GROUP (A): 51.8411 61.0634 -8.4763
REMARK 3 T TENSOR
REMARK 3 T11: 0.0857 T22: 0.0953
REMARK 3 T33: 0.0706 T12: 0.0023
REMARK 3 T13: 0.0079 T23: 0.0186
REMARK 3 L TENSOR
REMARK 3 L11: 7.0821 L22: 5.5865
REMARK 3 L33: 10.6077 L12: -1.3039
REMARK 3 L13: 1.3706 L23: -3.5565
REMARK 3 S TENSOR
REMARK 3 S11: 0.0073 S12: 0.5009 S13: 0.0482
REMARK 3 S21: -0.2504 S22: -0.2608 S23: -0.3111
REMARK 3 S31: -0.0141 S32: 0.5047 S33: 0.2535
REMARK 3
REMARK 3 TLS GROUP : 19
REMARK 3 NUMBER OF COMPONENTS GROUP : 1
REMARK 3 COMPONENTS C SSSEQI TO C SSSEQI
REMARK 3 RESIDUE RANGE : A 163 A 175
REMARK 3 ORIGIN FOR THE GROUP (A): 56.2721 56.5476 6.8126
REMARK 3 T TENSOR
REMARK 3 T11: 0.0548 T22: 0.0385
REMARK 3 T33: 0.0714 T12: -0.0088
REMARK 3 T13: -0.0076 T23: -0.0086
REMARK 3 L TENSOR
REMARK 3 L11: 4.3789 L22: 2.4681
REMARK 3 L33: 8.5000 L12: -0.1078
REMARK 3 L13: 0.2949 L23: -2.9297
REMARK 3 S TENSOR
REMARK 3 S11: -0.0234 S12: -0.0312 S13: 0.2934
REMARK 3 S21: 0.0955 S22: -0.0450 S23: -0.0048
REMARK 3 S31: -0.2919 S32: 0.1563 S33: 0.0684
REMARK 3
REMARK 3 TLS GROUP : 20
REMARK 3 NUMBER OF COMPONENTS GROUP : 1
REMARK 3 COMPONENTS C SSSEQI TO C SSSEQI
REMARK 3 RESIDUE RANGE : A 176 A 179
REMARK 3 ORIGIN FOR THE GROUP (A): 57.6654 46.8731 13.9445
REMARK 3 T TENSOR
REMARK 3 T11: 0.0649 T22: 0.0775
REMARK 3 T33: 0.1027 T12: 0.0112
REMARK 3 T13: 0.0027 T23: -0.0010
REMARK 3 L TENSOR
REMARK 3 L11: 5.9426 L22: 17.7915
REMARK 3 L33: 19.2064 L12: -0.0603
REMARK 3 L13: 1.3268 L23: 5.2273
REMARK 3 S TENSOR
REMARK 3 S11: -0.1145 S12: -0.1265 S13: -0.1799
REMARK 3 S21: 0.2764 S22: -0.0274 S23: 0.2229
REMARK 3 S31: 0.1660 S32: -0.1719 S33: 0.1419
REMARK 3
REMARK 3 TLS GROUP : 21
REMARK 3 NUMBER OF COMPONENTS GROUP : 1
REMARK 3 COMPONENTS C SSSEQI TO C SSSEQI
REMARK 3 RESIDUE RANGE : A 179 A 186
REMARK 3 ORIGIN FOR THE GROUP (A): 60.7491 36.2814 13.2303
REMARK 3 T TENSOR
REMARK 3 T11: 0.0941 T22: 0.1241
REMARK 3 T33: 0.1463 T12: -0.0060
REMARK 3 T13: 0.0193 T23: -0.0113
REMARK 3 L TENSOR
REMARK 3 L11: -0.1701 L22: 34.0861
REMARK 3 L33: -0.1670 L12: -4.0277
REMARK 3 L13: 1.6949 L23: 4.9199
REMARK 3 S TENSOR
REMARK 3 S11: -0.0883 S12: -0.1293 S13: -0.0378
REMARK 3 S21: 0.2685 S22: 0.0979 S23: -0.5746
REMARK 3 S31: 0.0195 S32: 0.0233 S33: -0.0095
REMARK 3
REMARK 3 TLS GROUP : 22
REMARK 3 NUMBER OF COMPONENTS GROUP : 1
REMARK 3 COMPONENTS C SSSEQI TO C SSSEQI
REMARK 3 RESIDUE RANGE : A 186 A 193
REMARK 3 ORIGIN FOR THE GROUP (A): 55.1821 14.3180 8.3217
REMARK 3 T TENSOR
REMARK 3 T11: 0.1562 T22: 0.0898
REMARK 3 T33: 0.1738 T12: -0.0004
REMARK 3 T13: 0.0198 T23: 0.0435
REMARK 3 L TENSOR
REMARK 3 L11: 16.6241 L22: 37.0163
REMARK 3 L33: 6.6074 L12: 22.1112
REMARK 3 L13: 9.5093 L23: 16.1912
REMARK 3 S TENSOR
REMARK 3 S11: 0.1386 S12: -0.1947 S13: -0.3419
REMARK 3 S21: 0.4508 S22: -0.2748 S23: -0.2121
REMARK 3 S31: 0.2916 S32: -0.1992 S33: 0.1362
REMARK 3
REMARK 3 TLS GROUP : 23
REMARK 3 NUMBER OF COMPONENTS GROUP : 1
REMARK 3 COMPONENTS C SSSEQI TO C SSSEQI
REMARK 3 RESIDUE RANGE : A 193 A 198
REMARK 3 ORIGIN FOR THE GROUP (A): 51.5697 4.6139 -2.5922
REMARK 3 T TENSOR
REMARK 3 T11: 0.4498 T22: 0.2913
REMARK 3 T33: 0.2665 T12: -0.0647
REMARK 3 T13: 0.0938 T23: -0.0996
REMARK 3 L TENSOR
REMARK 3 L11: 61.2126 L22: 17.7260
REMARK 3 L33: 8.7901 L12: -2.0544
REMARK 3 L13: -10.9212 L23: 3.1580
REMARK 3 S TENSOR
REMARK 3 S11: -0.0946 S12: 2.7663 S13: -1.9406
REMARK 3 S21: -1.9670 S22: -0.0145 S23: -0.4145
REMARK 3 S31: 0.0212 S32: -0.9451 S33: 0.1092
REMARK 3
REMARK 3 TLS GROUP : 24
REMARK 3 NUMBER OF COMPONENTS GROUP : 1
REMARK 3 COMPONENTS C SSSEQI TO C SSSEQI
REMARK 3 RESIDUE RANGE : A 198 A 206
REMARK 3 ORIGIN FOR THE GROUP (A): 54.9153 17.7399 5.8145
REMARK 3 T TENSOR
REMARK 3 T11: 0.0973 T22: 0.0672
REMARK 3 T33: 0.1338 T12: 0.0123
REMARK 3 T13: 0.0095 T23: 0.0252
REMARK 3 L TENSOR
REMARK 3 L11: 2.0324 L22: 18.6222
REMARK 3 L33: 4.7897 L12: 1.7504
REMARK 3 L13: -0.3350 L23: 8.5673
REMARK 3 S TENSOR
REMARK 3 S11: -0.0748 S12: 0.0694 S13: -0.2876
REMARK 3 S21: 0.1735 S22: 0.0363 S23: -0.1744
REMARK 3 S31: 0.2417 S32: -0.0009 S33: 0.0385
REMARK 3
REMARK 3 TLS GROUP : 25
REMARK 3 NUMBER OF COMPONENTS GROUP : 1
REMARK 3 COMPONENTS C SSSEQI TO C SSSEQI
REMARK 3 RESIDUE RANGE : A 206 A 214
REMARK 3 ORIGIN FOR THE GROUP (A): 58.7286 33.9604 6.2860
REMARK 3 T TENSOR
REMARK 3 T11: 0.0674 T22: 0.0652
REMARK 3 T33: 0.1237 T12: -0.0044
REMARK 3 T13: 0.0379 T23: 0.0067
REMARK 3 L TENSOR
REMARK 3 L11: 5.3770 L22: 5.8685
REMARK 3 L33: 4.6418 L12: -0.6584
REMARK 3 L13: -2.4083 L23: 3.6646
REMARK 3 S TENSOR
REMARK 3 S11: 0.2347 S12: 0.1612 S13: 0.2611
REMARK 3 S21: -0.3343 S22: 0.0982 S23: -0.2597
REMARK 3 S31: -0.3840 S32: 0.1076 S33: -0.3329
REMARK 3
REMARK 3 TLS GROUP : 26
REMARK 3 NUMBER OF COMPONENTS GROUP : 1
REMARK 3 COMPONENTS C SSSEQI TO C SSSEQI
REMARK 3 RESIDUE RANGE : A 214 A 219
REMARK 3 ORIGIN FOR THE GROUP (A): 63.3914 18.8837 -0.3456
REMARK 3 T TENSOR
REMARK 3 T11: 0.1633 T22: 0.1340
REMARK 3 T33: 0.2008 T12: -0.0078
REMARK 3 T13: 0.0682 T23: -0.0326
REMARK 3 L TENSOR
REMARK 3 L11: 6.6787 L22: 17.4715
REMARK 3 L33: 1.3965 L12: 2.9343
REMARK 3 L13: 0.2006 L23: 0.4227
REMARK 3 S TENSOR
REMARK 3 S11: -0.1696 S12: 0.1668 S13: -0.2586
REMARK 3 S21: -0.7977 S22: 0.1625 S23: -0.7781
REMARK 3 S31: 0.0063 S32: 0.2995 S33: 0.0071
REMARK 3
REMARK 3 TLS GROUP : 27
REMARK 3 NUMBER OF COMPONENTS GROUP : 1
REMARK 3 COMPONENTS C SSSEQI TO C SSSEQI
REMARK 3 RESIDUE RANGE : A 219 A 241
REMARK 3 ORIGIN FOR THE GROUP (A): 56.0830 25.2664 0.3784
REMARK 3 T TENSOR
REMARK 3 T11: 0.1686 T22: 0.1744
REMARK 3 T33: 0.2083 T12: 0.0530
REMARK 3 T13: 0.0488 T23: -0.0505
REMARK 3 L TENSOR
REMARK 3 L11: 4.4548 L22: 5.0155
REMARK 3 L33: 4.5665 L12: 0.9469
REMARK 3 L13: 0.5821 L23: 1.3194
REMARK 3 S TENSOR
REMARK 3 S11: 0.0814 S12: 0.6448 S13: -0.5518
REMARK 3 S21: -0.5672 S22: 0.1508 S23: -0.6448
REMARK 3 S31: 0.3493 S32: 0.4750 S33: -0.2322
REMARK 3
REMARK 3 TLS GROUP : 28
REMARK 3 NUMBER OF COMPONENTS GROUP : 1
REMARK 3 COMPONENTS C SSSEQI TO C SSSEQI
REMARK 3 RESIDUE RANGE : A 241 A 250
REMARK 3 ORIGIN FOR THE GROUP (A): 55.5054 17.9395 0.9912
REMARK 3 T TENSOR
REMARK 3 T11: 0.1338 T22: 0.0745
REMARK 3 T33: 0.1549 T12: 0.0142
REMARK 3 T13: 0.0478 T23: -0.0129
REMARK 3 L TENSOR
REMARK 3 L11: 1.6443 L22: 11.4074
REMARK 3 L33: 2.1052 L12: -0.4014
REMARK 3 L13: -0.3486 L23: 3.4939
REMARK 3 S TENSOR
REMARK 3 S11: -0.0702 S12: 0.1867 S13: -0.3557
REMARK 3 S21: -0.3780 S22: -0.0001 S23: -0.2861
REMARK 3 S31: 0.1437 S32: -0.0182 S33: 0.0703
REMARK 3
REMARK 3 TLS GROUP : 29
REMARK 3 NUMBER OF COMPONENTS GROUP : 1
REMARK 3 COMPONENTS C SSSEQI TO C SSSEQI
REMARK 3 RESIDUE RANGE : A 250 A 254
REMARK 3 ORIGIN FOR THE GROUP (A): 60.7238 4.2219 1.8697
REMARK 3 T TENSOR
REMARK 3 T11: 0.2791 T22: 0.1205
REMARK 3 T33: 0.5916 T12: 0.0578
REMARK 3 T13: 0.0862 T23: -0.0081
REMARK 3 L TENSOR
REMARK 3 L11: 19.1051 L22: 38.4327
REMARK 3 L33: 8.0519 L12: 11.8308
REMARK 3 L13: 4.0579 L23: 2.5983
REMARK 3 S TENSOR
REMARK 3 S11: -0.1047 S12: 0.0443 S13: -2.0901
REMARK 3 S21: 0.4481 S22: 0.0179 S23: -1.0463
REMARK 3 S31: 0.8111 S32: 0.1945 S33: 0.0868
REMARK 3
REMARK 3 TLS GROUP : 30
REMARK 3 NUMBER OF COMPONENTS GROUP : 1
REMARK 3 COMPONENTS C SSSEQI TO C SSSEQI
REMARK 3 RESIDUE RANGE : A 254 A 256
REMARK 3 ORIGIN FOR THE GROUP (A): 67.1015 7.3708 2.7442
REMARK 3 T TENSOR
REMARK 3 T11: 0.2878 T22: 0.1457
REMARK 3 T33: 0.6672 T12: 0.1243
REMARK 3 T13: 0.0231 T23: -0.0467
REMARK 3 L TENSOR
REMARK 3 L11: 24.7543 L22: 46.2389
REMARK 3 L33: 53.5440 L12: -4.4749
REMARK 3 L13: -7.9360 L23: -35.9462
REMARK 3 S TENSOR
REMARK 3 S11: -0.1929 S12: -0.2593 S13: -1.8828
REMARK 3 S21: -1.0329 S22: -0.5464 S23: -1.9262
REMARK 3 S31: 2.4062 S32: 1.2937 S33: 0.7393
REMARK 3
REMARK 3 TLS GROUP : 31
REMARK 3 NUMBER OF COMPONENTS GROUP : 1
REMARK 3 COMPONENTS C SSSEQI TO C SSSEQI
REMARK 3 RESIDUE RANGE : A 257 A 262
REMARK 3 ORIGIN FOR THE GROUP (A): 65.1554 20.4641 2.9404
REMARK 3 T TENSOR
REMARK 3 T11: 0.1113 T22: 0.1071
REMARK 3 T33: 0.2604 T12: 0.0173
REMARK 3 T13: 0.0477 T23: -0.0104
REMARK 3 L TENSOR
REMARK 3 L11: 2.8868 L22: 22.1776
REMARK 3 L33: -0.5214 L12: 5.0264
REMARK 3 L13: -0.0997 L23: 3.1182
REMARK 3 S TENSOR
REMARK 3 S11: -0.1584 S12: 0.0280 S13: -0.6766
REMARK 3 S21: -0.4410 S22: 0.0789 S23: -0.5628
REMARK 3 S31: 0.0700 S32: 0.1994 S33: 0.0795
REMARK 3
REMARK 3 TLS GROUP : 32
REMARK 3 NUMBER OF COMPONENTS GROUP : 1
REMARK 3 COMPONENTS C SSSEQI TO C SSSEQI
REMARK 3 RESIDUE RANGE : A 262 A 270
REMARK 3 ORIGIN FOR THE GROUP (A): 67.6206 30.2229 8.8118
REMARK 3 T TENSOR
REMARK 3 T11: 0.0859 T22: 0.1488
REMARK 3 T33: 0.1592 T12: -0.0233
REMARK 3 T13: 0.0273 T23: -0.0357
REMARK 3 L TENSOR
REMARK 3 L11: 13.7686 L22: -0.2065
REMARK 3 L33: 4.4745 L12: -3.8735
REMARK 3 L13: 1.5020 L23: -0.3088
REMARK 3 S TENSOR
REMARK 3 S11: -0.0129 S12: -0.4591 S13: -0.0381
REMARK 3 S21: 0.2094 S22: 0.1809 S23: -0.2337
REMARK 3 S31: -0.0572 S32: 0.2649 S33: -0.1680
REMARK 3
REMARK 3 TLS GROUP : 33
REMARK 3 NUMBER OF COMPONENTS GROUP : 1
REMARK 3 COMPONENTS C SSSEQI TO C SSSEQI
REMARK 3 RESIDUE RANGE : A 270 A 274
REMARK 3 ORIGIN FOR THE GROUP (A): 64.2000 14.8172 8.1216
REMARK 3 T TENSOR
REMARK 3 T11: 0.2108 T22: 0.1932
REMARK 3 T33: 0.3450 T12: -0.0010
REMARK 3 T13: -0.0410 T23: 0.0649
REMARK 3 L TENSOR
REMARK 3 L11: 65.1261 L22: 81.1282
REMARK 3 L33: 9.0587 L12: 62.0391
REMARK 3 L13: 9.6226 L23: -0.4585
REMARK 3 S TENSOR
REMARK 3 S11: 1.0435 S12: -0.7136 S13: -2.5223
REMARK 3 S21: 0.8790 S22: -0.5073 S23: -2.2468
REMARK 3 S31: 0.8089 S32: -0.5429 S33: -0.5362
REMARK 3
REMARK 3 TLS GROUP : 34
REMARK 3 NUMBER OF COMPONENTS GROUP : 1
REMARK 3 COMPONENTS C SSSEQI TO C SSSEQI
REMARK 3 RESIDUE RANGE : B 1 B 6
REMARK 3 ORIGIN FOR THE GROUP (A): 37.4677 30.9399 -8.3001
REMARK 3 T TENSOR
REMARK 3 T11: 0.2489 T22: 0.1404
REMARK 3 T33: 0.1284 T12: 0.0008
REMARK 3 T13: -0.0272 T23: -0.0012
REMARK 3 L TENSOR
REMARK 3 L11: 21.5112 L22: 16.4632
REMARK 3 L33: 53.4879 L12: -9.3771
REMARK 3 L13: 19.9929 L23: -11.3103
REMARK 3 S TENSOR
REMARK 3 S11: 0.2227 S12: 1.4414 S13: 0.5015
REMARK 3 S21: -0.7348 S22: -0.7269 S23: -0.1437
REMARK 3 S31: -0.5954 S32: 0.6209 S33: 0.5042
REMARK 3
REMARK 3 TLS GROUP : 35
REMARK 3 NUMBER OF COMPONENTS GROUP : 1
REMARK 3 COMPONENTS C SSSEQI TO C SSSEQI
REMARK 3 RESIDUE RANGE : B 6 B 11
REMARK 3 ORIGIN FOR THE GROUP (A): 42.7672 25.9580 6.5452
REMARK 3 T TENSOR
REMARK 3 T11: 0.0741 T22: 0.0309
REMARK 3 T33: 0.0709 T12: 0.0090
REMARK 3 T13: 0.0047 T23: 0.0068
REMARK 3 L TENSOR
REMARK 3 L11: 5.0907 L22: 2.6746
REMARK 3 L33: 7.5547 L12: 0.6163
REMARK 3 L13: 4.5763 L23: 0.7845
REMARK 3 S TENSOR
REMARK 3 S11: 0.0664 S12: 0.0208 S13: -0.2117
REMARK 3 S21: -0.1605 S22: 0.0523 S23: 0.1074
REMARK 3 S31: 0.1237 S32: 0.0367 S33: -0.1187
REMARK 3
REMARK 3 TLS GROUP : 36
REMARK 3 NUMBER OF COMPONENTS GROUP : 1
REMARK 3 COMPONENTS C SSSEQI TO C SSSEQI
REMARK 3 RESIDUE RANGE : B 11 B 21
REMARK 3 ORIGIN FOR THE GROUP (A): 48.4217 24.4429 20.5049
REMARK 3 T TENSOR
REMARK 3 T11: 0.1642 T22: 0.2035
REMARK 3 T33: 0.1326 T12: -0.0443
REMARK 3 T13: -0.0434 T23: 0.0722
REMARK 3 L TENSOR
REMARK 3 L11: 4.2197 L22: 5.5257
REMARK 3 L33: 5.0773 L12: 3.0720
REMARK 3 L13: -3.9618 L23: -4.8271
REMARK 3 S TENSOR
REMARK 3 S11: 0.2514 S12: -0.7805 S13: -0.5383
REMARK 3 S21: 0.5487 S22: -0.4650 S23: -0.5805
REMARK 3 S31: 0.0425 S32: 0.5607 S33: 0.2136
REMARK 3
REMARK 3 TLS GROUP : 37
REMARK 3 NUMBER OF COMPONENTS GROUP : 1
REMARK 3 COMPONENTS C SSSEQI TO C SSSEQI
REMARK 3 RESIDUE RANGE : B 21 B 28
REMARK 3 ORIGIN FOR THE GROUP (A): 42.4320 30.3024 8.1633
REMARK 3 T TENSOR
REMARK 3 T11: 0.0635 T22: 0.0183
REMARK 3 T33: 0.0629 T12: 0.0017
REMARK 3 T13: 0.0070 T23: -0.0039
REMARK 3 L TENSOR
REMARK 3 L11: 2.5916 L22: 1.8127
REMARK 3 L33: 12.9121 L12: -0.1496
REMARK 3 L13: 3.1168 L23: -3.5255
REMARK 3 S TENSOR
REMARK 3 S11: 0.0790 S12: -0.0632 S13: -0.0030
REMARK 3 S21: -0.0302 S22: -0.0289 S23: 0.0945
REMARK 3 S31: 0.2396 S32: -0.0325 S33: -0.0502
REMARK 3
REMARK 3 TLS GROUP : 38
REMARK 3 NUMBER OF COMPONENTS GROUP : 1
REMARK 3 COMPONENTS C SSSEQI TO C SSSEQI
REMARK 3 RESIDUE RANGE : B 28 B 36
REMARK 3 ORIGIN FOR THE GROUP (A): 34.6007 35.3915 -3.4240
REMARK 3 T TENSOR
REMARK 3 T11: 0.1184 T22: 0.0463
REMARK 3 T33: 0.0983 T12: -0.0167
REMARK 3 T13: -0.0251 T23: 0.0158
REMARK 3 L TENSOR
REMARK 3 L11: 4.5547 L22: 4.7467
REMARK 3 L33: 8.6243 L12: 1.2610
REMARK 3 L13: -2.0274 L23: -1.3771
REMARK 3 S TENSOR
REMARK 3 S11: 0.1898 S12: 0.2067 S13: 0.0578
REMARK 3 S21: -0.1273 S22: 0.1046 S23: 0.4477
REMARK 3 S31: -0.1280 S32: -0.3463 S33: -0.2944
REMARK 3
REMARK 3 TLS GROUP : 39
REMARK 3 NUMBER OF COMPONENTS GROUP : 1
REMARK 3 COMPONENTS C SSSEQI TO C SSSEQI
REMARK 3 RESIDUE RANGE : B 36 B 41
REMARK 3 ORIGIN FOR THE GROUP (A): 32.9699 28.1838 11.3986
REMARK 3 T TENSOR
REMARK 3 T11: 0.0956 T22: 0.0598
REMARK 3 T33: 0.1135 T12: 0.0036
REMARK 3 T13: 0.0172 T23: -0.0121
REMARK 3 L TENSOR
REMARK 3 L11: 2.0404 L22: 14.8280
REMARK 3 L33: 19.3622 L12: 2.9818
REMARK 3 L13: -2.4845 L23: -16.6705
REMARK 3 S TENSOR
REMARK 3 S11: -0.0407 S12: -0.1226 S13: 0.1521
REMARK 3 S21: -0.2075 S22: 0.1653 S23: 0.3460
REMARK 3 S31: 0.0901 S32: -0.2776 S33: -0.1246
REMARK 3
REMARK 3 TLS GROUP : 40
REMARK 3 NUMBER OF COMPONENTS GROUP : 1
REMARK 3 COMPONENTS C SSSEQI TO C SSSEQI
REMARK 3 RESIDUE RANGE : B 41 B 50
REMARK 3 ORIGIN FOR THE GROUP (A): 31.9847 30.8910 16.3435
REMARK 3 T TENSOR
REMARK 3 T11: 0.1874 T22: 0.1179
REMARK 3 T33: 0.2009 T12: -0.0273
REMARK 3 T13: 0.1034 T23: -0.0392
REMARK 3 L TENSOR
REMARK 3 L11: 9.4599 L22: 26.8280
REMARK 3 L33: 4.3209 L12: 13.2048
REMARK 3 L13: -6.1356 L23: -10.3647
REMARK 3 S TENSOR
REMARK 3 S11: 0.9392 S12: -0.4304 S13: 1.2341
REMARK 3 S21: 1.5540 S22: -0.4018 S23: 1.6965
REMARK 3 S31: -0.6264 S32: 0.0039 S33: -0.5374
REMARK 3
REMARK 3 TLS GROUP : 41
REMARK 3 NUMBER OF COMPONENTS GROUP : 1
REMARK 3 COMPONENTS C SSSEQI TO C SSSEQI
REMARK 3 RESIDUE RANGE : B 50 B 52
REMARK 3 ORIGIN FOR THE GROUP (A): 38.8985 38.4637 8.6205
REMARK 3 T TENSOR
REMARK 3 T11: 0.0891 T22: 0.0333
REMARK 3 T33: 0.0902 T12: 0.0055
REMARK 3 T13: 0.0013 T23: -0.0060
REMARK 3 L TENSOR
REMARK 3 L11: 10.1812 L22: 22.4137
REMARK 3 L33: 12.1679 L12: 4.4925
REMARK 3 L13: -8.8580 L23: -2.9447
REMARK 3 S TENSOR
REMARK 3 S11: 0.0571 S12: 0.1168 S13: 0.3481
REMARK 3 S21: 0.1036 S22: 0.0620 S23: 0.7770
REMARK 3 S31: -0.3401 S32: -0.2762 S33: -0.1191
REMARK 3
REMARK 3 TLS GROUP : 42
REMARK 3 NUMBER OF COMPONENTS GROUP : 1
REMARK 3 COMPONENTS C SSSEQI TO C SSSEQI
REMARK 3 RESIDUE RANGE : B 52 B 62
REMARK 3 ORIGIN FOR THE GROUP (A): 44.0726 39.7013 -4.9392
REMARK 3 T TENSOR
REMARK 3 T11: 0.0865 T22: 0.0603
REMARK 3 T33: 0.0895 T12: -0.0098
REMARK 3 T13: -0.0009 T23: 0.0068
REMARK 3 L TENSOR
REMARK 3 L11: 1.2949 L22: 2.2939
REMARK 3 L33: 20.3214 L12: 0.6792
REMARK 3 L13: 1.1770 L23: -2.0224
REMARK 3 S TENSOR
REMARK 3 S11: -0.0574 S12: 0.0731 S13: 0.0170
REMARK 3 S21: -0.1272 S22: -0.0847 S23: -0.0993
REMARK 3 S31: -0.1636 S32: 0.6063 S33: 0.1420
REMARK 3
REMARK 3 TLS GROUP : 43
REMARK 3 NUMBER OF COMPONENTS GROUP : 1
REMARK 3 COMPONENTS C SSSEQI TO C SSSEQI
REMARK 3 RESIDUE RANGE : B 62 B 70
REMARK 3 ORIGIN FOR THE GROUP (A): 41.3529 33.1505 10.3892
REMARK 3 T TENSOR
REMARK 3 T11: 0.0461 T22: 0.0465
REMARK 3 T33: 0.0817 T12: -0.0046
REMARK 3 T13: 0.0139 T23: -0.0020
REMARK 3 L TENSOR
REMARK 3 L11: 1.7213 L22: 4.1949
REMARK 3 L33: 9.7427 L12: 0.3847
REMARK 3 L13: 0.6352 L23: -4.2183
REMARK 3 S TENSOR
REMARK 3 S11: 0.0160 S12: -0.2333 S13: -0.0127
REMARK 3 S21: 0.2605 S22: -0.0655 S23: 0.0688
REMARK 3 S31: -0.3262 S32: 0.0516 S33: 0.0494
REMARK 3
REMARK 3 TLS GROUP : 44
REMARK 3 NUMBER OF COMPONENTS GROUP : 1
REMARK 3 COMPONENTS C SSSEQI TO C SSSEQI
REMARK 3 RESIDUE RANGE : B 70 B 78
REMARK 3 ORIGIN FOR THE GROUP (A): 38.7999 19.3127 19.8477
REMARK 3 T TENSOR
REMARK 3 T11: 0.1222 T22: 0.1350
REMARK 3 T33: 0.1263 T12: -0.0299
REMARK 3 T13: -0.0059 T23: 0.0332
REMARK 3 L TENSOR
REMARK 3 L11: 7.5634 L22: 4.2250
REMARK 3 L33: 8.7611 L12: 2.3678
REMARK 3 L13: 5.6225 L23: -1.8963
REMARK 3 S TENSOR
REMARK 3 S11: 0.4184 S12: -0.5000 S13: -0.5306
REMARK 3 S21: 0.3100 S22: -0.2419 S23: -0.2942
REMARK 3 S31: 0.2792 S32: 0.0271 S33: -0.1765
REMARK 3
REMARK 3 TLS GROUP : 45
REMARK 3 NUMBER OF COMPONENTS GROUP : 1
REMARK 3 COMPONENTS C SSSEQI TO C SSSEQI
REMARK 3 RESIDUE RANGE : B 78 B 83
REMARK 3 ORIGIN FOR THE GROUP (A): 31.0152 27.0700 4.9477
REMARK 3 T TENSOR
REMARK 3 T11: 0.0902 T22: 0.0898
REMARK 3 T33: 0.1330 T12: -0.0198
REMARK 3 T13: -0.0057 T23: 0.0202
REMARK 3 L TENSOR
REMARK 3 L11: 5.1884 L22: 16.4301
REMARK 3 L33: 23.9389 L12: -6.9501
REMARK 3 L13: 9.7700 L23: -15.7868
REMARK 3 S TENSOR
REMARK 3 S11: 0.0047 S12: -0.4313 S13: -0.2101
REMARK 3 S21: -0.3639 S22: 0.6208 S23: 0.8698
REMARK 3 S31: 0.3089 S32: -1.1781 S33: -0.6254
REMARK 3
REMARK 3 TLS GROUP : 46
REMARK 3 NUMBER OF COMPONENTS GROUP : 1
REMARK 3 COMPONENTS C SSSEQI TO C SSSEQI
REMARK 3 RESIDUE RANGE : B 83 B 91
REMARK 3 ORIGIN FOR THE GROUP (A): 29.4717 26.7561 -3.2265
REMARK 3 T TENSOR
REMARK 3 T11: 0.2184 T22: 0.1200
REMARK 3 T33: 0.1770 T12: -0.0718
REMARK 3 T13: -0.0709 T23: 0.0073
REMARK 3 L TENSOR
REMARK 3 L11: -0.1941 L22: 18.3077
REMARK 3 L33: 25.0732 L12: 3.8170
REMARK 3 L13: -4.5744 L23: -18.4294
REMARK 3 S TENSOR
REMARK 3 S11: -0.3036 S12: 0.2973 S13: -0.1314
REMARK 3 S21: -1.0262 S22: 0.5554 S23: 0.5455
REMARK 3 S31: 1.0661 S32: -0.4376 S33: -0.2518
REMARK 3
REMARK 3 TLS GROUP : 47
REMARK 3 NUMBER OF COMPONENTS GROUP : 1
REMARK 3 COMPONENTS C SSSEQI TO C SSSEQI
REMARK 3 RESIDUE RANGE : B 91 B 94
REMARK 3 ORIGIN FOR THE GROUP (A): 35.1216 20.7350 6.3751
REMARK 3 T TENSOR
REMARK 3 T11: 0.1525 T22: 0.0314
REMARK 3 T33: 0.1029 T12: -0.0060
REMARK 3 T13: -0.0067 T23: -0.0106
REMARK 3 L TENSOR
REMARK 3 L11: 7.4040 L22: 2.1293
REMARK 3 L33: 13.9529 L12: 0.3000
REMARK 3 L13: 7.5448 L23: -3.1055
REMARK 3 S TENSOR
REMARK 3 S11: 0.0943 S12: -0.0112 S13: -0.1413
REMARK 3 S21: -0.5649 S22: -0.0172 S23: 0.1389
REMARK 3 S31: 0.0530 S32: 0.0070 S33: -0.0771
REMARK 3
REMARK 3 TLS GROUP : 48
REMARK 3 NUMBER OF COMPONENTS GROUP : 1
REMARK 3 COMPONENTS C SSSEQI TO C SSSEQI
REMARK 3 RESIDUE RANGE : B 94 B 99
REMARK 3 ORIGIN FOR THE GROUP (A): 44.6107 18.0472 11.8423