This repository has been archived by the owner on Oct 21, 2018. It is now read-only.
-
Notifications
You must be signed in to change notification settings - Fork 0
/
5kkk.pdb
2099 lines (2099 loc) · 166 KB
/
5kkk.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 OXYGEN TRANSPORT 21-JUN-16 5KKK
TITLE 1.7-ANGSTROM IN SITU MYLAR STRUCTURE OF SPERM WHALE MYOGLOBIN (SWMB-
TITLE 2 CO) AT 100 K
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: MYOGLOBIN;
COMPND 3 CHAIN: A;
COMPND 4 ENGINEERED: YES
SOURCE MOL_ID: 1;
SOURCE 2 ORGANISM_SCIENTIFIC: PHYSETER CATODON;
SOURCE 3 ORGANISM_COMMON: SPERM WHALE;
SOURCE 4 ORGANISM_TAXID: 9755;
SOURCE 5 GENE: MB;
SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;
SOURCE 7 EXPRESSION_SYSTEM_TAXID: 562
KEYWDS OXYGEN TRANSPORT
EXPDTA X-RAY DIFFRACTION
AUTHOR J.BROECKER,O.P.ERNST
REVDAT 1 15-FEB-17 5KKK 0
JRNL AUTH J.BROECKER,V.KLINGEL,W.-L.OU,A.R.BALO,D.J.KISSICK,C.M.OGATA,
JRNL AUTH 2 A.KUO,O.P.ERNST
JRNL TITL A VERSATILE SYSTEM FOR HIGH-THROUGHPUT IN SITU X-RAY
JRNL TITL 2 SCREENING AND DATA COLLECTION OF SOLUBLE AND
JRNL TITL 3 MEMBRANE-PROTEIN CRYSTALS
JRNL REF CRYST.GROWTH DES. V. 16 6318 2016
JRNL REFN ISSN 1528-7483
JRNL DOI 10.1021/ACS.CGD.6B00950
REMARK 2
REMARK 2 RESOLUTION. 1.70 ANGSTROMS.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : PHENIX 1.9_1692
REMARK 3 AUTHORS : PAUL ADAMS,PAVEL AFONINE,VINCENT CHEN,IAN
REMARK 3 : DAVIS,KRESHNA GOPAL,RALF GROSSE-KUNSTLEVE,
REMARK 3 : LI-WEI HUNG,ROBERT IMMORMINO,TOM IOERGER,
REMARK 3 : AIRLIE MCCOY,ERIK MCKEE,NIGEL MORIARTY,
REMARK 3 : REETAL PAI,RANDY READ,JANE RICHARDSON,
REMARK 3 : DAVID RICHARDSON,TOD ROMO,JIM SACCHETTINI,
REMARK 3 : NICHOLAS SAUTER,JACOB SMITH,LAURENT
REMARK 3 : STORONI,TOM TERWILLIGER,PETER ZWART
REMARK 3
REMARK 3 REFINEMENT TARGET : NULL
REMARK 3
REMARK 3 DATA USED IN REFINEMENT.
REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 1.70
REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 24.91
REMARK 3 MIN(FOBS/SIGMA_FOBS) : 1.420
REMARK 3 COMPLETENESS FOR RANGE (%) : 93.8
REMARK 3 NUMBER OF REFLECTIONS : 22329
REMARK 3
REMARK 3 FIT TO DATA USED IN REFINEMENT.
REMARK 3 R VALUE (WORKING + TEST SET) : 0.179
REMARK 3 R VALUE (WORKING SET) : 0.176
REMARK 3 FREE R VALUE : 0.215
REMARK 3 FREE R VALUE TEST SET SIZE (%) : 8.970
REMARK 3 FREE R VALUE TEST SET COUNT : 2002
REMARK 3
REMARK 3 FIT TO DATA USED IN REFINEMENT (IN BINS).
REMARK 3 BIN RESOLUTION RANGE COMPL. NWORK NFREE RWORK RFREE
REMARK 3 1 24.9077 - 4.0916 0.88 1417 135 0.1536 0.1880
REMARK 3 2 4.0916 - 3.2499 0.92 1439 141 0.1445 0.1780
REMARK 3 3 3.2499 - 2.8398 0.93 1446 150 0.1722 0.2167
REMARK 3 4 2.8398 - 2.5804 0.94 1461 142 0.1798 0.2031
REMARK 3 5 2.5804 - 2.3956 0.93 1434 148 0.1659 0.2261
REMARK 3 6 2.3956 - 2.2545 0.93 1436 143 0.1580 0.2237
REMARK 3 7 2.2545 - 2.1417 0.94 1456 142 0.1710 0.1797
REMARK 3 8 2.1417 - 2.0485 0.93 1438 140 0.1797 0.2239
REMARK 3 9 2.0485 - 1.9696 0.95 1446 142 0.2044 0.2280
REMARK 3 10 1.9696 - 1.9017 0.95 1468 143 0.2150 0.2739
REMARK 3 11 1.9017 - 1.8423 0.96 1468 147 0.2200 0.2721
REMARK 3 12 1.8423 - 1.7896 0.96 1471 145 0.2332 0.2840
REMARK 3 13 1.7896 - 1.7425 0.96 1466 141 0.2978 0.3188
REMARK 3 14 1.7425 - 1.7000 0.96 1481 143 0.3676 0.4089
REMARK 3
REMARK 3 BULK SOLVENT MODELLING.
REMARK 3 METHOD USED : NULL
REMARK 3 SOLVENT RADIUS : 1.11
REMARK 3 SHRINKAGE RADIUS : 0.90
REMARK 3 K_SOL : NULL
REMARK 3 B_SOL : NULL
REMARK 3
REMARK 3 ERROR ESTIMATES.
REMARK 3 COORDINATE ERROR (MAXIMUM-LIKELIHOOD BASED) : 0.240
REMARK 3 PHASE ERROR (DEGREES, MAXIMUM-LIKELIHOOD BASED) : 22.510
REMARK 3
REMARK 3 B VALUES.
REMARK 3 FROM WILSON PLOT (A**2) : 23.47
REMARK 3 MEAN B VALUE (OVERALL, A**2) : NULL
REMARK 3 OVERALL ANISOTROPIC B VALUE.
REMARK 3 B11 (A**2) : NULL
REMARK 3 B22 (A**2) : NULL
REMARK 3 B33 (A**2) : NULL
REMARK 3 B12 (A**2) : NULL
REMARK 3 B13 (A**2) : NULL
REMARK 3 B23 (A**2) : NULL
REMARK 3
REMARK 3 TWINNING INFORMATION.
REMARK 3 FRACTION: NULL
REMARK 3 OPERATOR: NULL
REMARK 3
REMARK 3 DEVIATIONS FROM IDEAL VALUES.
REMARK 3 RMSD COUNT
REMARK 3 BOND : 0.008 1392
REMARK 3 ANGLE : 1.026 1895
REMARK 3 CHIRALITY : 0.061 195
REMARK 3 PLANARITY : 0.004 228
REMARK 3 DIHEDRAL : 12.964 521
REMARK 3
REMARK 3 TLS DETAILS
REMARK 3 NUMBER OF TLS GROUPS : NULL
REMARK 3
REMARK 3 NCS DETAILS
REMARK 3 NUMBER OF NCS GROUPS : NULL
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS: NULL
REMARK 4
REMARK 4 5KKK COMPLIES WITH FORMAT V. 3.30, 13-JUL-11
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 22-JUN-16.
REMARK 100 THE DEPOSITION ID IS D_1000222324.
REMARK 200
REMARK 200 EXPERIMENTAL DETAILS
REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION
REMARK 200 DATE OF DATA COLLECTION : 11-MAR-16
REMARK 200 TEMPERATURE (KELVIN) : 100
REMARK 200 PH : 9.0
REMARK 200 NUMBER OF CRYSTALS USED : 1
REMARK 200
REMARK 200 SYNCHROTRON (Y/N) : Y
REMARK 200 RADIATION SOURCE : APS
REMARK 200 BEAMLINE : 23-ID-D
REMARK 200 X-RAY GENERATOR MODEL : NULL
REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M
REMARK 200 WAVELENGTH OR RANGE (A) : 1.0
REMARK 200 MONOCHROMATOR : NULL
REMARK 200 OPTICS : NULL
REMARK 200
REMARK 200 DETECTOR TYPE : PIXEL
REMARK 200 DETECTOR MANUFACTURER : DECTRIS PILATUS 6M
REMARK 200 INTENSITY-INTEGRATION SOFTWARE : IMOSFLM
REMARK 200 DATA SCALING SOFTWARE : AIMLESS
REMARK 200
REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 22335
REMARK 200 RESOLUTION RANGE HIGH (A) : 1.700
REMARK 200 RESOLUTION RANGE LOW (A) : 24.910
REMARK 200 REJECTION CRITERIA (SIGMA(I)) : NULL
REMARK 200
REMARK 200 OVERALL.
REMARK 200 COMPLETENESS FOR RANGE (%) : 94.0
REMARK 200 DATA REDUNDANCY : 1.900
REMARK 200 R MERGE (I) : 0.17200
REMARK 200 R SYM (I) : NULL
REMARK 200 <I/SIGMA(I)> FOR THE DATA SET : 4.3500
REMARK 200
REMARK 200 IN THE HIGHEST RESOLUTION SHELL.
REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.70
REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 1.76
REMARK 200 COMPLETENESS FOR SHELL (%) : 96.0
REMARK 200 DATA REDUNDANCY IN SHELL : 1.90
REMARK 200 R MERGE FOR SHELL (I) : 0.73200
REMARK 200 R SYM FOR SHELL (I) : NULL
REMARK 200 <I/SIGMA(I)> FOR SHELL : 1.240
REMARK 200
REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH
REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT
REMARK 200 SOFTWARE USED: PHASER
REMARK 200 STARTING MODEL: 3E55
REMARK 200
REMARK 200 REMARK: CUBES AND RODS
REMARK 280
REMARK 280 CRYSTAL
REMARK 280 SOLVENT CONTENT, VS (%): 61.10
REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 3.16
REMARK 280
REMARK 280 CRYSTALLIZATION CONDITIONS: 10 MM TRIS-HCL, 2.5 TO 2.6 M
REMARK 280 (NH4)2SO4, 1 ATM CO GAS, SEED SOLUTION IN 10 MM TRIS-HCL PH 9.0
REMARK 280 AND 3.2 M (NH4)2SO4, BATCH MODE, TEMPERATURE 293K
REMARK 290
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY
REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 6
REMARK 290
REMARK 290 SYMOP SYMMETRY
REMARK 290 NNNMMM OPERATOR
REMARK 290 1555 X,Y,Z
REMARK 290 2555 -Y,X-Y,Z
REMARK 290 3555 -X+Y,-X,Z
REMARK 290 4555 -X,-Y,Z
REMARK 290 5555 Y,-X+Y,Z
REMARK 290 6555 X-Y,X,Z
REMARK 290
REMARK 290 WHERE NNN -> OPERATOR NUMBER
REMARK 290 MMM -> TRANSLATION VECTOR
REMARK 290
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS
REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM
REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY
REMARK 290 RELATED MOLECULES.
REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000
REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000
REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000
REMARK 290 SMTRY1 2 -0.500000 -0.866025 0.000000 0.00000
REMARK 290 SMTRY2 2 0.866025 -0.500000 0.000000 0.00000
REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 0.00000
REMARK 290 SMTRY1 3 -0.500000 0.866025 0.000000 0.00000
REMARK 290 SMTRY2 3 -0.866025 -0.500000 0.000000 0.00000
REMARK 290 SMTRY3 3 0.000000 0.000000 1.000000 0.00000
REMARK 290 SMTRY1 4 -1.000000 0.000000 0.000000 0.00000
REMARK 290 SMTRY2 4 0.000000 -1.000000 0.000000 0.00000
REMARK 290 SMTRY3 4 0.000000 0.000000 1.000000 0.00000
REMARK 290 SMTRY1 5 0.500000 0.866025 0.000000 0.00000
REMARK 290 SMTRY2 5 -0.866025 0.500000 0.000000 0.00000
REMARK 290 SMTRY3 5 0.000000 0.000000 1.000000 0.00000
REMARK 290 SMTRY1 6 0.500000 -0.866025 0.000000 0.00000
REMARK 290 SMTRY2 6 0.866025 0.500000 0.000000 0.00000
REMARK 290 SMTRY3 6 0.000000 0.000000 1.000000 0.00000
REMARK 290
REMARK 290 REMARK: NULL
REMARK 300
REMARK 300 BIOMOLECULE: 1
REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM
REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN
REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON
REMARK 300 BURIED SURFACE AREA.
REMARK 350
REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN
REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE
REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS
REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND
REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN.
REMARK 350
REMARK 350 BIOMOLECULE: 1
REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC
REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: MONOMERIC
REMARK 350 SOFTWARE USED: PISA
REMARK 350 APPLY THE FOLLOWING TO CHAINS: A
REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000
REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000
REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000
REMARK 375
REMARK 375 SPECIAL POSITION
REMARK 375 THE FOLLOWING ATOMS ARE FOUND TO BE WITHIN 0.15 ANGSTROMS
REMARK 375 OF A SYMMETRY RELATED ATOM AND ARE ASSUMED TO BE ON SPECIAL
REMARK 375 POSITIONS.
REMARK 375
REMARK 375 ATOM RES CSSEQI
REMARK 375 CL CL A 208 LIES ON A SPECIAL POSITION.
REMARK 375 HOH A 517 LIES ON A SPECIAL POSITION.
REMARK 500
REMARK 500 GEOMETRY AND STEREOCHEMISTRY
REMARK 500 SUBTOPIC: CLOSE CONTACTS IN SAME ASYMMETRIC UNIT
REMARK 500
REMARK 500 THE FOLLOWING ATOMS ARE IN CLOSE CONTACT.
REMARK 500
REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI DISTANCE
REMARK 500 O HOH A 461 O HOH A 480 2.15
REMARK 500 O HOH A 420 O HOH A 464 2.17
REMARK 500
REMARK 500 REMARK: NULL
REMARK 500
REMARK 500 GEOMETRY AND STEREOCHEMISTRY
REMARK 500 SUBTOPIC: CLOSE CONTACTS
REMARK 500
REMARK 500 THE FOLLOWING ATOMS THAT ARE RELATED BY CRYSTALLOGRAPHIC
REMARK 500 SYMMETRY ARE IN CLOSE CONTACT. AN ATOM LOCATED WITHIN 0.15
REMARK 500 ANGSTROMS OF A SYMMETRY RELATED ATOM IS ASSUMED TO BE ON A
REMARK 500 SPECIAL POSITION AND IS, THEREFORE, LISTED IN REMARK 375
REMARK 500 INSTEAD OF REMARK 500. ATOMS WITH NON-BLANK ALTERNATE
REMARK 500 LOCATION INDICATORS ARE NOT INCLUDED IN THE CALCULATIONS.
REMARK 500
REMARK 500 DISTANCE CUTOFF:
REMARK 500 2.2 ANGSTROMS FOR CONTACTS NOT INVOLVING HYDROGEN ATOMS
REMARK 500 1.6 ANGSTROMS FOR CONTACTS INVOLVING HYDROGEN ATOMS
REMARK 500
REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI SSYMOP DISTANCE
REMARK 500 O HOH A 308 O HOH A 457 6545 2.11
REMARK 500
REMARK 500 REMARK: NULL
REMARK 500
REMARK 500 GEOMETRY AND STEREOCHEMISTRY
REMARK 500 SUBTOPIC: TORSION ANGLES
REMARK 500
REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS:
REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER;
REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).
REMARK 500
REMARK 500 STANDARD TABLE:
REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2)
REMARK 500
REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI-
REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400
REMARK 500
REMARK 500 M RES CSSEQI PSI PHI
REMARK 500 ASP A 21 73.79 -161.62
REMARK 500 PHE A 124 54.11 -143.42
REMARK 500
REMARK 500 REMARK: NULL
REMARK 525
REMARK 525 SOLVENT
REMARK 525
REMARK 525 THE SOLVENT MOLECULES HAVE CHAIN IDENTIFIERS THAT
REMARK 525 INDICATE THE POLYMER CHAIN WITH WHICH THEY ARE MOST
REMARK 525 CLOSELY ASSOCIATED. THE REMARK LISTS ALL THE SOLVENT
REMARK 525 MOLECULES WHICH ARE MORE THAN 5A AWAY FROM THE
REMARK 525 NEAREST POLYMER CHAIN (M = MODEL NUMBER;
REMARK 525 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE
REMARK 525 NUMBER; I=INSERTION CODE):
REMARK 525
REMARK 525 M RES CSSEQI
REMARK 525 HOH A 546 DISTANCE = 5.95 ANGSTROMS
REMARK 525 HOH A 547 DISTANCE = 6.05 ANGSTROMS
REMARK 620
REMARK 620 METAL COORDINATION
REMARK 620 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER;
REMARK 620 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE):
REMARK 620
REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL
REMARK 620 HEM A 201 FE
REMARK 620 N RES CSSEQI ATOM
REMARK 620 1 HIS A 94 NE2
REMARK 620 2 HEM A 201 NA 92.0
REMARK 620 3 HEM A 201 NB 92.8 89.8
REMARK 620 4 HEM A 201 NC 97.2 170.8 89.8
REMARK 620 5 HEM A 201 ND 97.6 88.9 169.6 89.9
REMARK 620 6 CMO A 202 C 175.5 92.3 88.3 78.5 81.4
REMARK 620 N 1 2 3 4 5
REMARK 800
REMARK 800 SITE
REMARK 800 SITE_IDENTIFIER: AC1
REMARK 800 EVIDENCE_CODE: SOFTWARE
REMARK 800 SITE_DESCRIPTION: binding site for residue HEM A 201
REMARK 800
REMARK 800 SITE_IDENTIFIER: AC2
REMARK 800 EVIDENCE_CODE: SOFTWARE
REMARK 800 SITE_DESCRIPTION: binding site for residue CMO A 202
REMARK 800
REMARK 800 SITE_IDENTIFIER: AC3
REMARK 800 EVIDENCE_CODE: SOFTWARE
REMARK 800 SITE_DESCRIPTION: binding site for residue SO4 A 203
REMARK 800
REMARK 800 SITE_IDENTIFIER: AC4
REMARK 800 EVIDENCE_CODE: SOFTWARE
REMARK 800 SITE_DESCRIPTION: binding site for residue SO4 A 204
REMARK 800
REMARK 800 SITE_IDENTIFIER: AC5
REMARK 800 EVIDENCE_CODE: SOFTWARE
REMARK 800 SITE_DESCRIPTION: binding site for residue SO4 A 205
REMARK 800
REMARK 800 SITE_IDENTIFIER: AC6
REMARK 800 EVIDENCE_CODE: SOFTWARE
REMARK 800 SITE_DESCRIPTION: binding site for residue SO4 A 206
REMARK 800
REMARK 800 SITE_IDENTIFIER: AC7
REMARK 800 EVIDENCE_CODE: SOFTWARE
REMARK 800 SITE_DESCRIPTION: binding site for residue SO4 A 207
REMARK 900
REMARK 900 RELATED ENTRIES
REMARK 900 RELATED ID: 5KKH RELATED DB: PDB
REMARK 900 RELATED ID: 5KKI RELATED DB: PDB
REMARK 900 RELATED ID: 5KKJ RELATED DB: PDB
DBREF 5KKK A 1 154 UNP P02185 MYG_PHYCD 1 154
SEQADV 5KKK ASN A 123 UNP P02185 ASP 123 ENGINEERED MUTATION
SEQRES 1 A 154 MET VAL LEU SER GLU GLY GLU TRP GLN LEU VAL LEU HIS
SEQRES 2 A 154 VAL TRP ALA LYS VAL GLU ALA ASP VAL ALA GLY HIS GLY
SEQRES 3 A 154 GLN ASP ILE LEU ILE ARG LEU PHE LYS SER HIS PRO GLU
SEQRES 4 A 154 THR LEU GLU LYS PHE ASP ARG PHE LYS HIS LEU LYS THR
SEQRES 5 A 154 GLU ALA GLU MET LYS ALA SER GLU ASP LEU LYS LYS HIS
SEQRES 6 A 154 GLY VAL THR VAL LEU THR ALA LEU GLY ALA ILE LEU LYS
SEQRES 7 A 154 LYS LYS GLY HIS HIS GLU ALA GLU LEU LYS PRO LEU ALA
SEQRES 8 A 154 GLN SER HIS ALA THR LYS HIS LYS ILE PRO ILE LYS TYR
SEQRES 9 A 154 LEU GLU PHE ILE SER GLU ALA ILE ILE HIS VAL LEU HIS
SEQRES 10 A 154 SER ARG HIS PRO GLY ASN PHE GLY ALA ASP ALA GLN GLY
SEQRES 11 A 154 ALA MET ASN LYS ALA LEU GLU LEU PHE ARG LYS ASP ILE
SEQRES 12 A 154 ALA ALA LYS TYR LYS GLU LEU GLY TYR GLN GLY
HET HEM A 201 43
HET CMO A 202 2
HET SO4 A 203 5
HET SO4 A 204 5
HET SO4 A 205 5
HET SO4 A 206 5
HET SO4 A 207 5
HET CL A 208 1
HET CL A 209 1
HETNAM HEM PROTOPORPHYRIN IX CONTAINING FE
HETNAM CMO CARBON MONOXIDE
HETNAM SO4 SULFATE ION
HETNAM CL CHLORIDE ION
HETSYN HEM HEME
FORMUL 2 HEM C34 H32 FE N4 O4
FORMUL 3 CMO C O
FORMUL 4 SO4 5(O4 S 2-)
FORMUL 9 CL 2(CL 1-)
FORMUL 11 HOH *247(H2 O)
HELIX 1 AA1 SER A 4 GLU A 19 1 16
HELIX 2 AA2 ASP A 21 HIS A 37 1 17
HELIX 3 AA3 PRO A 38 PHE A 44 5 7
HELIX 4 AA4 THR A 52 SER A 59 1 8
HELIX 5 AA5 SER A 59 LYS A 79 1 21
HELIX 6 AA6 HIS A 83 LYS A 97 1 15
HELIX 7 AA7 PRO A 101 HIS A 120 1 20
HELIX 8 AA8 PRO A 121 PHE A 124 5 4
HELIX 9 AA9 GLY A 125 GLY A 151 1 27
LINK NE2 HIS A 94 FE HEM A 201 1555 1555 2.04
LINK FE HEM A 201 C CMO A 202 1555 1555 1.79
SITE 1 AC1 18 THR A 40 LYS A 43 PHE A 44 ARG A 46
SITE 2 AC1 18 HIS A 65 LEU A 90 SER A 93 HIS A 94
SITE 3 AC1 18 HIS A 98 ILE A 100 TYR A 104 CMO A 202
SITE 4 AC1 18 HOH A 315 HOH A 353 HOH A 373 HOH A 390
SITE 5 AC1 18 HOH A 415 HOH A 417
SITE 1 AC2 4 PHE A 44 HIS A 65 VAL A 69 HEM A 201
SITE 1 AC3 6 ARG A 46 LYS A 64 HIS A 65 THR A 68
SITE 2 AC3 6 HOH A 341 HOH A 415
SITE 1 AC4 5 ALA A 58 GLU A 60 ASP A 61 HOH A 313
SITE 2 AC4 5 HOH A 318
SITE 1 AC5 8 SER A 4 GLU A 5 THR A 52 GLU A 53
SITE 2 AC5 8 ALA A 54 HOH A 306 HOH A 393 HOH A 428
SITE 1 AC6 3 SER A 4 GLY A 6 HOH A 428
SITE 1 AC7 3 ARG A 32 LYS A 99 HOH A 359
CRYST1 90.770 90.770 45.671 90.00 90.00 120.00 P 6 6
ORIGX1 1.000000 0.000000 0.000000 0.00000
ORIGX2 0.000000 1.000000 0.000000 0.00000
ORIGX3 0.000000 0.000000 1.000000 0.00000
SCALE1 0.011017 0.006361 0.000000 0.00000
SCALE2 0.000000 0.012721 0.000000 0.00000
SCALE3 0.000000 0.000000 0.021896 0.00000
ATOM 1 N MET A 1 71.096 -16.781 6.874 1.00 41.02 N
ATOM 2 CA MET A 1 70.119 -16.161 7.765 1.00 51.92 C
ATOM 3 C MET A 1 69.189 -17.218 8.347 1.00 45.01 C
ATOM 4 O MET A 1 69.416 -18.418 8.167 1.00 48.73 O
ATOM 5 CB MET A 1 69.315 -15.090 7.021 1.00 53.97 C
ATOM 6 CG MET A 1 69.843 -13.672 7.206 1.00 63.21 C
ATOM 7 SD MET A 1 69.714 -12.672 5.708 1.00 99.10 S
ATOM 8 CE MET A 1 71.385 -12.038 5.568 1.00 75.23 C
ATOM 9 N VAL A 2 68.158 -16.782 9.067 1.00 38.33 N
ATOM 10 CA AVAL A 2 67.166 -17.704 9.620 0.50 35.40 C
ATOM 11 CA BVAL A 2 67.170 -17.709 9.599 0.50 35.40 C
ATOM 12 C VAL A 2 65.754 -17.138 9.473 1.00 30.09 C
ATOM 13 O VAL A 2 65.450 -16.057 9.978 1.00 33.51 O
ATOM 14 CB AVAL A 2 67.419 -18.021 11.115 0.50 37.37 C
ATOM 15 CB BVAL A 2 67.475 -18.068 11.070 0.50 37.37 C
ATOM 16 CG1AVAL A 2 66.351 -18.976 11.641 0.50 33.80 C
ATOM 17 CG1BVAL A 2 67.754 -16.810 11.888 0.50 39.31 C
ATOM 18 CG2AVAL A 2 68.803 -18.615 11.326 0.50 35.40 C
ATOM 19 CG2BVAL A 2 66.339 -18.893 11.672 0.50 33.81 C
ATOM 20 N LEU A 3 64.895 -17.872 8.776 1.00 23.97 N
ATOM 21 CA LEU A 3 63.510 -17.461 8.596 1.00 20.43 C
ATOM 22 C LEU A 3 62.671 -17.756 9.837 1.00 27.88 C
ATOM 23 O LEU A 3 62.925 -18.721 10.560 1.00 26.58 O
ATOM 24 CB LEU A 3 62.878 -18.166 7.386 1.00 23.61 C
ATOM 25 CG LEU A 3 63.231 -17.648 5.996 1.00 18.67 C
ATOM 26 CD1 LEU A 3 64.664 -18.058 5.613 1.00 21.76 C
ATOM 27 CD2 LEU A 3 62.224 -18.116 4.942 1.00 22.45 C
ATOM 28 N SER A 4 61.665 -16.920 10.072 1.00 23.07 N
ATOM 29 CA SER A 4 60.690 -17.167 11.127 1.00 24.35 C
ATOM 30 C SER A 4 59.682 -18.198 10.644 1.00 21.09 C
ATOM 31 O SER A 4 59.565 -18.434 9.444 1.00 20.77 O
ATOM 32 CB SER A 4 59.971 -15.876 11.518 1.00 26.99 C
ATOM 33 OG SER A 4 59.097 -15.460 10.476 1.00 24.10 O
ATOM 34 N GLU A 5 58.957 -18.808 11.572 1.00 21.92 N
ATOM 35 CA GLU A 5 57.895 -19.743 11.219 1.00 23.79 C
ATOM 36 C GLU A 5 56.837 -19.062 10.335 1.00 23.28 C
ATOM 37 O GLU A 5 56.320 -19.671 9.397 1.00 20.93 O
ATOM 38 CB GLU A 5 57.257 -20.320 12.486 1.00 23.16 C
ATOM 39 CG GLU A 5 55.975 -21.131 12.251 1.00 23.41 C
ATOM 40 CD GLU A 5 56.218 -22.501 11.626 1.00 27.04 C
ATOM 41 OE1 GLU A 5 57.389 -22.889 11.458 1.00 29.29 O
ATOM 42 OE2 GLU A 5 55.231 -23.202 11.300 1.00 26.20 O
ATOM 43 N GLY A 6 56.531 -17.800 10.639 1.00 23.51 N
ATOM 44 CA GLY A 6 55.608 -17.018 9.834 1.00 27.37 C
ATOM 45 C GLY A 6 56.059 -16.885 8.386 1.00 21.98 C
ATOM 46 O GLY A 6 55.246 -17.000 7.472 1.00 21.53 O
ATOM 47 N GLU A 7 57.353 -16.636 8.188 1.00 17.44 N
ATOM 48 CA GLU A 7 57.940 -16.542 6.862 1.00 20.14 C
ATOM 49 C GLU A 7 57.900 -17.906 6.164 1.00 21.68 C
ATOM 50 O GLU A 7 57.568 -17.985 4.992 1.00 19.40 O
ATOM 51 CB GLU A 7 59.376 -16.003 6.955 1.00 19.22 C
ATOM 52 CG GLU A 7 59.427 -14.520 7.384 1.00 22.31 C
ATOM 53 CD GLU A 7 60.829 -14.010 7.708 1.00 25.06 C
ATOM 54 OE1 GLU A 7 61.080 -12.793 7.540 1.00 25.96 O
ATOM 55 OE2 GLU A 7 61.682 -14.810 8.137 1.00 24.43 O
ATOM 56 N TRP A 8 58.203 -18.984 6.885 1.00 20.45 N
ATOM 57 CA TRP A 8 58.117 -20.309 6.263 1.00 19.37 C
ATOM 58 C TRP A 8 56.689 -20.614 5.817 1.00 19.58 C
ATOM 59 O TRP A 8 56.475 -21.263 4.788 1.00 18.92 O
ATOM 60 CB TRP A 8 58.615 -21.424 7.218 1.00 20.73 C
ATOM 61 CG TRP A 8 60.109 -21.498 7.305 1.00 18.74 C
ATOM 62 CD1 TRP A 8 60.887 -21.330 8.416 1.00 19.88 C
ATOM 63 CD2 TRP A 8 61.010 -21.725 6.215 1.00 18.54 C
ATOM 64 NE1 TRP A 8 62.217 -21.452 8.082 1.00 19.51 N
ATOM 65 CE2 TRP A 8 62.314 -21.696 6.736 1.00 20.89 C
ATOM 66 CE3 TRP A 8 60.834 -21.973 4.851 1.00 19.32 C
ATOM 67 CZ2 TRP A 8 63.437 -21.888 5.938 1.00 19.59 C
ATOM 68 CZ3 TRP A 8 61.950 -22.160 4.059 1.00 17.82 C
ATOM 69 CH2 TRP A 8 63.234 -22.120 4.602 1.00 21.07 C
ATOM 70 N GLN A 9 55.704 -20.182 6.598 1.00 20.42 N
ATOM 71 CA GLN A 9 54.331 -20.463 6.210 1.00 19.06 C
ATOM 72 C GLN A 9 53.937 -19.687 4.938 1.00 18.00 C
ATOM 73 O GLN A 9 53.188 -20.201 4.109 1.00 20.72 O
ATOM 74 CB GLN A 9 53.358 -20.157 7.357 1.00 20.27 C
ATOM 75 CG GLN A 9 53.342 -21.226 8.456 1.00 28.61 C
ATOM 76 CD GLN A 9 53.266 -22.652 7.899 1.00 32.61 C
ATOM 77 OE1 GLN A 9 52.515 -22.929 6.962 1.00 37.85 O
ATOM 78 NE2 GLN A 9 54.060 -23.555 8.468 1.00 31.39 N
ATOM 79 N LEU A 10 54.419 -18.460 4.774 1.00 17.90 N
ATOM 80 CA LEU A 10 54.141 -17.747 3.518 1.00 18.10 C
ATOM 81 C LEU A 10 54.765 -18.494 2.335 1.00 17.94 C
ATOM 82 O LEU A 10 54.191 -18.547 1.242 1.00 18.90 O
ATOM 83 CB LEU A 10 54.667 -16.307 3.549 1.00 17.15 C
ATOM 84 CG LEU A 10 54.025 -15.385 4.574 1.00 22.27 C
ATOM 85 CD1 LEU A 10 54.733 -14.024 4.602 1.00 20.19 C
ATOM 86 CD2 LEU A 10 52.552 -15.225 4.226 1.00 21.83 C
ATOM 87 N VAL A 11 55.944 -19.069 2.566 1.00 15.58 N
ATOM 88 CA VAL A 11 56.620 -19.861 1.548 1.00 17.23 C
ATOM 89 C VAL A 11 55.799 -21.093 1.217 1.00 16.73 C
ATOM 90 O VAL A 11 55.550 -21.393 0.059 1.00 18.01 O
ATOM 91 CB VAL A 11 58.028 -20.287 2.008 1.00 15.94 C
ATOM 92 CG1 VAL A 11 58.684 -21.243 0.996 1.00 19.36 C
ATOM 93 CG2 VAL A 11 58.884 -19.052 2.180 1.00 15.70 C
ATOM 94 N LEU A 12 55.366 -21.804 2.242 1.00 18.06 N
ATOM 95 CA LEU A 12 54.687 -23.075 2.008 1.00 16.43 C
ATOM 96 C LEU A 12 53.284 -22.877 1.444 1.00 21.14 C
ATOM 97 O LEU A 12 52.781 -23.732 0.693 1.00 17.83 O
ATOM 98 CB LEU A 12 54.650 -23.894 3.301 1.00 19.28 C
ATOM 99 CG LEU A 12 56.054 -24.338 3.749 1.00 20.34 C
ATOM 100 CD1 LEU A 12 56.001 -24.972 5.124 1.00 24.90 C
ATOM 101 CD2 LEU A 12 56.683 -25.274 2.720 1.00 22.51 C
ATOM 102 N HIS A 13 52.664 -21.743 1.767 1.00 19.89 N
ATOM 103 CA HIS A 13 51.318 -21.467 1.264 1.00 20.80 C
ATOM 104 C HIS A 13 51.291 -21.167 -0.242 1.00 19.29 C
ATOM 105 O HIS A 13 50.367 -21.586 -0.943 1.00 16.97 O
ATOM 106 CB HIS A 13 50.685 -20.321 2.056 1.00 18.12 C
ATOM 107 CG HIS A 13 50.188 -20.739 3.403 1.00 35.18 C
ATOM 108 ND1 HIS A 13 51.011 -21.307 4.353 1.00 40.18 N
ATOM 109 CD2 HIS A 13 48.955 -20.683 3.958 1.00 52.38 C
ATOM 110 CE1 HIS A 13 50.305 -21.577 5.437 1.00 43.62 C
ATOM 111 NE2 HIS A 13 49.055 -21.208 5.224 1.00 42.16 N
ATOM 112 N VAL A 14 52.303 -20.481 -0.772 1.00 16.60 N
ATOM 113 CA VAL A 14 52.326 -20.339 -2.222 1.00 16.69 C
ATOM 114 C VAL A 14 52.813 -21.642 -2.866 1.00 17.54 C
ATOM 115 O VAL A 14 52.358 -21.974 -3.940 1.00 15.83 O
ATOM 116 CB VAL A 14 53.185 -19.130 -2.726 1.00 17.06 C
ATOM 117 CG1 VAL A 14 54.689 -19.358 -2.509 1.00 18.60 C
ATOM 118 CG2 VAL A 14 52.896 -18.862 -4.199 1.00 19.06 C
ATOM 119 N TRP A 15 53.688 -22.401 -2.206 1.00 17.68 N
ATOM 120 CA TRP A 15 54.187 -23.630 -2.825 1.00 14.60 C
ATOM 121 C TRP A 15 53.046 -24.631 -2.969 1.00 14.62 C
ATOM 122 O TRP A 15 53.026 -25.432 -3.903 1.00 16.87 O
ATOM 123 CB TRP A 15 55.349 -24.264 -2.024 1.00 16.72 C
ATOM 124 CG TRP A 15 56.166 -25.152 -2.918 1.00 18.15 C
ATOM 125 CD1 TRP A 15 56.138 -26.519 -2.978 1.00 19.83 C
ATOM 126 CD2 TRP A 15 57.076 -24.722 -3.940 1.00 15.74 C
ATOM 127 NE1 TRP A 15 56.990 -26.966 -3.964 1.00 17.71 N
ATOM 128 CE2 TRP A 15 57.576 -25.882 -4.570 1.00 19.57 C
ATOM 129 CE3 TRP A 15 57.526 -23.465 -4.374 1.00 17.17 C
ATOM 130 CZ2 TRP A 15 58.513 -25.824 -5.606 1.00 18.87 C
ATOM 131 CZ3 TRP A 15 58.445 -23.404 -5.413 1.00 23.34 C
ATOM 132 CH2 TRP A 15 58.937 -24.581 -6.011 1.00 19.99 C
ATOM 133 N ALA A 16 52.087 -24.572 -2.052 1.00 17.07 N
ATOM 134 CA ALA A 16 50.900 -25.424 -2.152 1.00 20.12 C
ATOM 135 C ALA A 16 50.128 -25.177 -3.447 1.00 20.01 C
ATOM 136 O ALA A 16 49.507 -26.093 -4.005 1.00 16.47 O
ATOM 137 CB ALA A 16 49.985 -25.216 -0.935 1.00 19.39 C
ATOM 138 N LYS A 17 50.153 -23.941 -3.937 1.00 17.83 N
ATOM 139 CA LYS A 17 49.498 -23.634 -5.210 1.00 18.04 C
ATOM 140 C LYS A 17 50.310 -24.152 -6.403 1.00 19.42 C
ATOM 141 O LYS A 17 49.746 -24.654 -7.375 1.00 16.60 O
ATOM 142 CB LYS A 17 49.277 -22.130 -5.348 1.00 20.19 C
ATOM 143 CG LYS A 17 48.597 -21.496 -4.147 1.00 19.78 C
ATOM 144 CD LYS A 17 47.306 -22.222 -3.737 1.00 16.84 C
ATOM 145 CE LYS A 17 46.667 -21.514 -2.562 1.00 24.61 C
ATOM 146 NZ LYS A 17 45.475 -22.232 -2.019 1.00 30.84 N
ATOM 147 N VAL A 18 51.635 -24.018 -6.327 1.00 19.74 N
ATOM 148 CA VAL A 18 52.527 -24.602 -7.324 1.00 15.22 C
ATOM 149 C VAL A 18 52.227 -26.083 -7.517 1.00 14.17 C
ATOM 150 O VAL A 18 52.255 -26.594 -8.638 1.00 19.07 O
ATOM 151 CB VAL A 18 54.009 -24.451 -6.926 1.00 14.00 C
ATOM 152 CG1 VAL A 18 54.904 -25.213 -7.896 1.00 20.32 C
ATOM 153 CG2 VAL A 18 54.388 -22.983 -6.875 1.00 14.69 C
ATOM 154 N GLU A 19 51.928 -26.764 -6.416 1.00 20.37 N
ATOM 155 CA GLU A 19 51.731 -28.211 -6.440 1.00 19.83 C
ATOM 156 C GLU A 19 50.377 -28.638 -7.028 1.00 20.58 C
ATOM 157 O GLU A 19 50.131 -29.830 -7.228 1.00 20.31 O
ATOM 158 CB GLU A 19 51.896 -28.771 -5.029 1.00 19.44 C
ATOM 159 CG GLU A 19 53.360 -28.727 -4.560 1.00 18.48 C
ATOM 160 CD GLU A 19 53.518 -29.314 -3.187 1.00 23.43 C
ATOM 161 OE1 GLU A 19 54.569 -29.944 -2.925 1.00 22.65 O
ATOM 162 OE2 GLU A 19 52.581 -29.138 -2.378 1.00 21.39 O
ATOM 163 N ALA A 20 49.500 -27.681 -7.328 1.00 20.39 N
ATOM 164 CA ALA A 20 48.320 -28.025 -8.119 1.00 23.09 C
ATOM 165 C ALA A 20 48.741 -28.521 -9.504 1.00 21.49 C
ATOM 166 O ALA A 20 48.066 -29.342 -10.114 1.00 20.69 O
ATOM 167 CB ALA A 20 47.375 -26.834 -8.249 1.00 19.02 C
ATOM 168 N ASP A 21 49.871 -28.019 -9.996 1.00 18.02 N
ATOM 169 CA ASP A 21 50.293 -28.308 -11.361 1.00 16.75 C
ATOM 170 C ASP A 21 51.782 -28.011 -11.517 1.00 17.40 C
ATOM 171 O ASP A 21 52.174 -27.020 -12.132 1.00 16.29 O
ATOM 172 CB ASP A 21 49.455 -27.495 -12.357 1.00 22.89 C
ATOM 173 CG ASP A 21 49.889 -27.677 -13.805 1.00 24.63 C
ATOM 174 OD1 ASP A 21 50.578 -28.668 -14.138 1.00 22.13 O
ATOM 175 OD2 ASP A 21 49.518 -26.814 -14.628 1.00 27.83 O
ATOM 176 N VAL A 22 52.613 -28.876 -10.956 1.00 16.08 N
ATOM 177 CA VAL A 22 54.042 -28.570 -10.900 1.00 14.39 C
ATOM 178 C VAL A 22 54.658 -28.618 -12.296 1.00 16.49 C
ATOM 179 O VAL A 22 55.595 -27.851 -12.597 1.00 18.88 O
ATOM 180 CB VAL A 22 54.793 -29.523 -9.903 1.00 16.60 C
ATOM 181 CG1 VAL A 22 54.807 -30.982 -10.384 1.00 18.24 C
ATOM 182 CG2 VAL A 22 56.209 -29.034 -9.607 1.00 20.20 C
ATOM 183 N ALA A 23 54.128 -29.472 -13.171 1.00 16.27 N
ATOM 184 CA ALA A 23 54.658 -29.556 -14.537 1.00 18.09 C
ATOM 185 C ALA A 23 54.506 -28.234 -15.286 1.00 16.04 C
ATOM 186 O ALA A 23 55.440 -27.776 -15.947 1.00 16.51 O
ATOM 187 CB ALA A 23 53.980 -30.678 -15.317 1.00 18.62 C
ATOM 188 N GLY A 24 53.325 -27.626 -15.180 1.00 16.26 N
ATOM 189 CA GLY A 24 53.070 -26.340 -15.820 1.00 16.76 C
ATOM 190 C GLY A 24 53.916 -25.209 -15.249 1.00 18.28 C
ATOM 191 O GLY A 24 54.402 -24.362 -16.005 1.00 18.72 O
ATOM 192 N HIS A 25 54.077 -25.185 -13.925 1.00 15.90 N
ATOM 193 CA HIS A 25 54.948 -24.201 -13.265 1.00 16.66 C
ATOM 194 C HIS A 25 56.396 -24.391 -13.701 1.00 17.77 C
ATOM 195 O HIS A 25 57.116 -23.411 -13.944 1.00 16.94 O
ATOM 196 CB HIS A 25 54.837 -24.303 -11.734 1.00 16.71 C
ATOM 197 CG HIS A 25 53.561 -23.743 -11.186 1.00 18.31 C
ATOM 198 ND1 HIS A 25 52.361 -24.425 -11.248 1.00 17.41 N
ATOM 199 CD2 HIS A 25 53.293 -22.563 -10.577 1.00 17.78 C
ATOM 200 CE1 HIS A 25 51.407 -23.681 -10.710 1.00 16.95 C
ATOM 201 NE2 HIS A 25 51.949 -22.548 -10.288 1.00 18.07 N
ATOM 202 N GLY A 26 56.820 -25.651 -13.806 1.00 12.97 N
ATOM 203 CA GLY A 26 58.188 -25.956 -14.206 1.00 18.00 C
ATOM 204 C GLY A 26 58.518 -25.486 -15.612 1.00 19.39 C
ATOM 205 O GLY A 26 59.601 -24.953 -15.868 1.00 18.84 O
ATOM 206 N GLN A 27 57.582 -25.695 -16.536 1.00 17.03 N
ATOM 207 CA GLN A 27 57.742 -25.204 -17.896 1.00 19.29 C
ATOM 208 C GLN A 27 57.928 -23.691 -17.917 1.00 19.63 C
ATOM 209 O GLN A 27 58.872 -23.181 -18.520 1.00 20.67 O
ATOM 210 CB GLN A 27 56.535 -25.593 -18.738 1.00 18.05 C
ATOM 211 CG GLN A 27 56.528 -27.065 -19.130 1.00 22.08 C
ATOM 212 CD GLN A 27 55.224 -27.453 -19.777 1.00 25.22 C
ATOM 213 OE1 GLN A 27 54.161 -27.300 -19.184 1.00 24.38 O
ATOM 214 NE2 GLN A 27 55.293 -27.914 -21.015 1.00 25.43 N
ATOM 215 N ASP A 28 57.038 -22.981 -17.230 1.00 16.27 N
ATOM 216 CA ASP A 28 57.085 -21.522 -17.198 1.00 17.67 C
ATOM 217 C ASP A 28 58.417 -21.032 -16.661 1.00 20.06 C
ATOM 218 O ASP A 28 59.004 -20.096 -17.190 1.00 15.59 O
ATOM 219 CB ASP A 28 55.958 -20.966 -16.327 1.00 19.27 C
ATOM 220 CG ASP A 28 54.615 -20.975 -17.023 1.00 23.47 C
ATOM 221 OD1 ASP A 28 54.529 -21.515 -18.149 1.00 20.41 O
ATOM 222 OD2 ASP A 28 53.638 -20.470 -16.417 1.00 24.29 O
ATOM 223 N ILE A 29 58.891 -21.670 -15.598 1.00 17.06 N
ATOM 224 CA ILE A 29 60.089 -21.192 -14.914 1.00 17.27 C
ATOM 225 C ILE A 29 61.347 -21.441 -15.770 1.00 16.64 C
ATOM 226 O ILE A 29 62.173 -20.549 -15.926 1.00 16.61 O
ATOM 227 CB ILE A 29 60.198 -21.853 -13.506 1.00 14.38 C
ATOM 228 CG1 ILE A 29 59.151 -21.217 -12.562 1.00 14.03 C
ATOM 229 CG2 ILE A 29 61.616 -21.754 -12.928 1.00 19.00 C
ATOM 230 CD1 ILE A 29 58.939 -21.962 -11.246 1.00 17.21 C
ATOM 231 N LEU A 30 61.493 -22.636 -16.332 1.00 15.23 N
ATOM 232 CA LEU A 30 62.665 -22.906 -17.165 1.00 17.09 C
ATOM 233 C LEU A 30 62.653 -22.044 -18.430 1.00 19.03 C
ATOM 234 O LEU A 30 63.694 -21.540 -18.875 1.00 19.06 O
ATOM 235 CB LEU A 30 62.740 -24.392 -17.538 1.00 18.26 C
ATOM 236 CG LEU A 30 63.063 -25.355 -16.387 1.00 19.32 C
ATOM 237 CD1 LEU A 30 63.074 -26.788 -16.869 1.00 21.27 C
ATOM 238 CD2 LEU A 30 64.398 -24.985 -15.707 1.00 26.97 C
ATOM 239 N ILE A 31 61.479 -21.869 -19.020 1.00 18.67 N
ATOM 240 CA ILE A 31 61.387 -21.048 -20.217 1.00 19.89 C
ATOM 241 C ILE A 31 61.755 -19.596 -19.892 1.00 19.14 C
ATOM 242 O ILE A 31 62.500 -18.957 -20.638 1.00 20.79 O
ATOM 243 CB ILE A 31 59.971 -21.154 -20.843 1.00 22.02 C
ATOM 244 CG1 ILE A 31 59.813 -22.535 -21.504 1.00 20.28 C
ATOM 245 CG2 ILE A 31 59.740 -20.043 -21.840 1.00 23.69 C
ATOM 246 CD1 ILE A 31 58.419 -22.827 -22.067 1.00 23.75 C
ATOM 247 N ARG A 32 61.269 -19.079 -18.762 1.00 19.06 N
ATOM 248 CA ARG A 32 61.634 -17.722 -18.324 1.00 19.12 C
ATOM 249 C ARG A 32 63.137 -17.580 -18.094 1.00 21.69 C
ATOM 250 O ARG A 32 63.762 -16.579 -18.490 1.00 19.41 O
ATOM 251 CB ARG A 32 60.877 -17.362 -17.041 1.00 21.02 C
ATOM 252 CG ARG A 32 61.286 -16.052 -16.388 1.00 20.07 C
ATOM 253 CD ARG A 32 60.616 -14.876 -17.086 1.00 24.01 C
ATOM 254 NE ARG A 32 61.124 -13.608 -16.559 1.00 32.57 N
ATOM 255 CZ ARG A 32 60.829 -12.412 -17.061 1.00 28.20 C
ATOM 256 NH1 ARG A 32 60.016 -12.305 -18.100 1.00 31.66 N
ATOM 257 NH2 ARG A 32 61.353 -11.320 -16.520 1.00 31.75 N
ATOM 258 N LEU A 33 63.713 -18.581 -17.439 1.00 19.55 N
ATOM 259 CA LEU A 33 65.157 -18.612 -17.209 1.00 18.42 C
ATOM 260 C LEU A 33 65.925 -18.493 -18.519 1.00 22.74 C
ATOM 261 O LEU A 33 66.854 -17.679 -18.649 1.00 21.23 O
ATOM 262 CB LEU A 33 65.557 -19.911 -16.500 1.00 19.49 C
ATOM 263 CG LEU A 33 67.059 -20.129 -16.313 1.00 16.57 C
ATOM 264 CD1 LEU A 33 67.658 -19.005 -15.495 1.00 20.19 C
ATOM 265 CD2 LEU A 33 67.304 -21.489 -15.628 1.00 18.96 C
ATOM 266 N PHE A 34 65.547 -19.333 -19.481 1.00 18.55 N
ATOM 267 CA PHE A 34 66.280 -19.412 -20.748 1.00 23.45 C
ATOM 268 C PHE A 34 66.094 -18.139 -21.554 1.00 27.68 C
ATOM 269 O PHE A 34 67.014 -17.697 -22.234 1.00 30.77 O
ATOM 270 CB PHE A 34 65.842 -20.621 -21.562 1.00 22.37 C
ATOM 271 CG PHE A 34 66.168 -21.934 -20.913 1.00 25.56 C
ATOM 272 CD1 PHE A 34 67.224 -22.036 -20.017 1.00 24.15 C
ATOM 273 CD2 PHE A 34 65.410 -23.063 -21.181 1.00 24.15 C
ATOM 274 CE1 PHE A 34 67.525 -23.243 -19.418 1.00 24.28 C
ATOM 275 CE2 PHE A 34 65.705 -24.281 -20.579 1.00 22.81 C
ATOM 276 CZ PHE A 34 66.759 -24.374 -19.705 1.00 23.05 C
ATOM 277 N LYS A 35 64.915 -17.534 -21.456 1.00 20.50 N
ATOM 278 CA LYS A 35 64.652 -16.305 -22.204 1.00 25.07 C
ATOM 279 C LYS A 35 65.393 -15.099 -21.631 1.00 28.75 C
ATOM 280 O LYS A 35 65.902 -14.267 -22.383 1.00 28.34 O
ATOM 281 CB LYS A 35 63.155 -16.001 -22.242 1.00 27.30 C
ATOM 282 CG LYS A 35 62.430 -16.603 -23.422 1.00 38.14 C
ATOM 283 CD LYS A 35 62.721 -18.082 -23.558 1.00 42.77 C
ATOM 284 CE LYS A 35 61.777 -18.747 -24.524 1.00 45.86 C
ATOM 285 NZ LYS A 35 61.839 -20.215 -24.329 1.00 54.88 N
ATOM 286 N SER A 36 65.448 -14.999 -20.306 1.00 26.52 N
ATOM 287 CA SER A 36 66.036 -13.830 -19.654 1.00 24.34 C
ATOM 288 C SER A 36 67.549 -13.930 -19.609 1.00 25.78 C
ATOM 289 O SER A 36 68.248 -12.913 -19.542 1.00 26.09 O
ATOM 290 CB SER A 36 65.490 -13.662 -18.236 1.00 25.52 C
ATOM 291 OG SER A 36 64.085 -13.525 -18.247 1.00 30.27 O
ATOM 292 N HIS A 37 68.043 -15.166 -19.624 1.00 26.17 N
ATOM 293 CA HIS A 37 69.477 -15.424 -19.575 1.00 24.87 C
ATOM 294 C HIS A 37 69.821 -16.621 -20.438 1.00 26.65 C
ATOM 295 O HIS A 37 70.030 -17.725 -19.925 1.00 24.06 O
ATOM 296 CB HIS A 37 69.942 -15.649 -18.137 1.00 26.31 C
ATOM 297 CG HIS A 37 69.535 -14.559 -17.197 1.00 26.53 C
ATOM 298 ND1 HIS A 37 70.278 -13.413 -17.019 1.00 31.04 N
ATOM 299 CD2 HIS A 37 68.464 -14.445 -16.378 1.00 25.37 C
ATOM 300 CE1 HIS A 37 69.677 -12.635 -16.136 1.00 28.28 C
ATOM 301 NE2 HIS A 37 68.576 -13.241 -15.729 1.00 26.89 N
ATOM 302 N PRO A 38 69.897 -16.399 -21.761 1.00 25.03 N
ATOM 303 CA PRO A 38 70.172 -17.419 -22.780 1.00 27.67 C
ATOM 304 C PRO A 38 71.448 -18.228 -22.508 1.00 24.40 C
ATOM 305 O PRO A 38 71.523 -19.393 -22.895 1.00 24.75 O
ATOM 306 CB PRO A 38 70.305 -16.592 -24.067 1.00 31.04 C
ATOM 307 CG PRO A 38 69.506 -15.344 -23.784 1.00 27.98 C
ATOM 308 CD PRO A 38 69.788 -15.050 -22.353 1.00 26.88 C
ATOM 309 N GLU A 39 72.423 -17.631 -21.826 1.00 26.35 N
ATOM 310 CA GLU A 39 73.663 -18.339 -21.516 1.00 31.06 C
ATOM 311 C GLU A 39 73.422 -19.549 -20.603 1.00 29.19 C
ATOM 312 O GLU A 39 74.219 -20.481 -20.586 1.00 28.98 O
ATOM 313 CB GLU A 39 74.687 -17.391 -20.878 1.00 29.77 C
ATOM 314 CG GLU A 39 74.342 -16.909 -19.472 1.00 32.26 C
ATOM 315 CD GLU A 39 73.663 -15.553 -19.450 1.00 36.41 C
ATOM 316 OE1 GLU A 39 73.924 -14.787 -18.485 1.00 36.06 O
ATOM 317 OE2 GLU A 39 72.865 -15.257 -20.378 1.00 36.08 O
ATOM 318 N THR A 40 72.317 -19.551 -19.856 1.00 26.51 N
ATOM 319 CA THR A 40 72.041 -20.683 -18.964 1.00 24.59 C
ATOM 320 C THR A 40 71.642 -21.926 -19.755 1.00 24.91 C
ATOM 321 O THR A 40 71.885 -23.063 -19.332 1.00 21.83 O
ATOM 322 CB THR A 40 70.928 -20.357 -17.933 1.00 22.41 C
ATOM 323 OG1 THR A 40 69.705 -20.012 -18.606 1.00 21.69 O
ATOM 324 CG2 THR A 40 71.365 -19.202 -17.026 1.00 21.65 C
ATOM 325 N LEU A 41 71.016 -21.715 -20.905 1.00 21.95 N
ATOM 326 CA LEU A 41 70.557 -22.839 -21.710 1.00 24.03 C
ATOM 327 C LEU A 41 71.750 -23.640 -22.233 1.00 25.63 C
ATOM 328 O LEU A 41 71.651 -24.847 -22.449 1.00 24.15 O
ATOM 329 CB LEU A 41 69.681 -22.353 -22.867 1.00 23.28 C
ATOM 330 CG LEU A 41 69.108 -23.386 -23.839 1.00 26.16 C
ATOM 331 CD1 LEU A 41 68.286 -24.485 -23.137 1.00 25.75 C
ATOM 332 CD2 LEU A 41 68.289 -22.684 -24.918 1.00 28.79 C
ATOM 333 N GLU A 42 72.885 -22.966 -22.393 1.00 23.94 N
ATOM 334 CA GLU A 42 74.078 -23.619 -22.915 1.00 25.37 C
ATOM 335 C GLU A 42 74.683 -24.634 -21.936 1.00 29.46 C
ATOM 336 O GLU A 42 75.539 -25.431 -22.319 1.00 30.11 O
ATOM 337 CB GLU A 42 75.117 -22.569 -23.310 1.00 30.35 C
ATOM 338 CG GLU A 42 74.601 -21.642 -24.415 1.00 36.76 C
ATOM 339 CD GLU A 42 73.989 -22.418 -25.588 1.00 53.22 C
ATOM 340 OE1 GLU A 42 74.692 -23.285 -26.164 1.00 45.96 O
ATOM 341 OE2 GLU A 42 72.797 -22.175 -25.916 1.00 41.62 O
ATOM 342 N LYS A 43 74.230 -24.618 -20.683 1.00 23.99 N
ATOM 343 CA LYS A 43 74.686 -25.609 -19.697 1.00 25.57 C
ATOM 344 C LYS A 43 73.952 -26.941 -19.838 1.00 26.15 C
ATOM 345 O LYS A 43 74.406 -27.961 -19.329 1.00 24.59 O
ATOM 346 CB LYS A 43 74.515 -25.071 -18.271 1.00 22.56 C
ATOM 347 CG LYS A 43 75.489 -23.975 -17.905 1.00 24.69 C
ATOM 348 CD LYS A 43 76.889 -24.527 -17.614 1.00 28.57 C
ATOM 349 CE LYS A 43 77.846 -23.382 -17.297 1.00 27.12 C
ATOM 350 NZ LYS A 43 79.211 -23.848 -16.921 1.00 28.81 N
ATOM 351 N PHE A 44 72.814 -26.931 -20.524 1.00 21.89 N
ATOM 352 CA PHE A 44 72.058 -28.157 -20.771 1.00 25.55 C
ATOM 353 C PHE A 44 72.354 -28.725 -22.166 1.00 31.99 C
ATOM 354 O PHE A 44 71.727 -28.324 -23.149 1.00 28.50 O
ATOM 355 CB PHE A 44 70.550 -27.901 -20.648 1.00 26.26 C
ATOM 356 CG PHE A 44 70.099 -27.484 -19.276 1.00 24.42 C
ATOM 357 CD1 PHE A 44 70.147 -26.154 -18.888 1.00 21.53 C
ATOM 358 CD2 PHE A 44 69.579 -28.419 -18.392 1.00 22.44 C
ATOM 359 CE1 PHE A 44 69.716 -25.765 -17.630 1.00 23.16 C
ATOM 360 CE2 PHE A 44 69.140 -28.037 -17.130 1.00 26.16 C
ATOM 361 CZ PHE A 44 69.207 -26.708 -16.753 1.00 26.00 C
ATOM 362 N ASP A 45 73.291 -29.662 -22.266 1.00 32.37 N
ATOM 363 CA ASP A 45 73.563 -30.289 -23.559 1.00 32.38 C
ATOM 364 C ASP A 45 72.328 -31.051 -24.055 1.00 37.76 C
ATOM 365 O ASP A 45 72.150 -31.268 -25.252 1.00 34.98 O
ATOM 366 CB ASP A 45 74.781 -31.219 -23.463 1.00 41.16 C
ATOM 367 CG ASP A 45 76.082 -30.457 -23.212 1.00 48.92 C
ATOM 368 OD1 ASP A 45 76.121 -29.233 -23.471 1.00 41.40 O
ATOM 369 OD2 ASP A 45 77.066 -31.081 -22.757 1.00 48.28 O
ATOM 370 N ARG A 46 71.461 -31.419 -23.120 1.00 31.87 N
ATOM 371 CA AARG A 46 70.263 -32.166 -23.476 0.50 30.52 C
ATOM 372 CA BARG A 46 70.226 -32.154 -23.387 0.50 30.54 C
ATOM 373 C ARG A 46 69.149 -31.262 -24.026 1.00 32.92 C
ATOM 374 O ARG A 46 68.288 -31.737 -24.776 1.00 33.28 O
ATOM 375 CB AARG A 46 69.762 -32.964 -22.271 0.50 33.15 C
ATOM 376 CB BARG A 46 69.732 -32.775 -22.063 0.50 32.99 C
ATOM 377 CG AARG A 46 68.851 -34.124 -22.639 0.50 35.84 C
ATOM 378 CG BARG A 46 68.287 -33.277 -21.987 0.50 31.33 C
ATOM 379 CD AARG A 46 68.882 -35.208 -21.577 0.50 33.72 C
ATOM 380 CD BARG A 46 68.020 -33.859 -20.586 0.50 33.15 C
ATOM 381 NE AARG A 46 68.479 -34.703 -20.271 0.50 34.32 N
ATOM 382 NE BARG A 46 66.618 -34.191 -20.323 0.50 33.50 N
ATOM 383 CZ AARG A 46 67.230 -34.711 -19.821 0.50 35.08 C
ATOM 384 CZ BARG A 46 66.138 -34.521 -19.123 0.50 34.86 C
ATOM 385 NH1AARG A 46 66.256 -35.202 -20.576 0.50 32.64 N
ATOM 386 NH1BARG A 46 66.950 -34.567 -18.073 0.50 33.62 N
ATOM 387 NH2AARG A 46 66.954 -34.229 -18.615 0.50 34.60 N
ATOM 388 NH2BARG A 46 64.846 -34.807 -18.964 0.50 26.30 N
ATOM 389 N PHE A 47 69.189 -29.962 -23.716 1.00 22.92 N
ATOM 390 CA PHE A 47 68.137 -29.028 -24.173 1.00 29.97 C
ATOM 391 C PHE A 47 68.554 -27.883 -25.105 1.00 29.42 C
ATOM 392 O PHE A 47 67.699 -27.181 -25.640 1.00 28.57 O
ATOM 393 CB PHE A 47 67.447 -28.387 -22.964 1.00 26.48 C
ATOM 394 CG PHE A 47 66.813 -29.375 -22.047 1.00 29.53 C
ATOM 395 CD1 PHE A 47 65.936 -30.330 -22.536 1.00 28.22 C
ATOM 396 CD2 PHE A 47 67.124 -29.376 -20.695 1.00 28.05 C
ATOM 397 CE1 PHE A 47 65.369 -31.249 -21.696 1.00 31.38 C
ATOM 398 CE2 PHE A 47 66.553 -30.290 -19.846 1.00 27.70 C
ATOM 399 CZ PHE A 47 65.676 -31.229 -20.342 1.00 30.43 C
ATOM 400 N LYS A 48 69.845 -27.670 -25.299 1.00 30.37 N
ATOM 401 CA LYS A 48 70.272 -26.467 -26.011 1.00 33.18 C
ATOM 402 C LYS A 48 69.912 -26.474 -27.508 1.00 32.74 C
ATOM 403 O LYS A 48 70.060 -25.454 -28.182 1.00 35.95 O
ATOM 404 CB LYS A 48 71.772 -26.254 -25.827 1.00 31.02 C
ATOM 405 CG LYS A 48 72.633 -27.320 -26.462 1.00 36.66 C
ATOM 406 CD LYS A 48 74.099 -27.032 -26.212 1.00 38.25 C
ATOM 407 CE LYS A 48 74.960 -28.222 -26.593 1.00 47.28 C
ATOM 408 NZ LYS A 48 76.402 -27.963 -26.310 1.00 49.80 N
ATOM 409 N HIS A 49 69.422 -27.605 -28.013 1.00 30.71 N
ATOM 410 CA HIS A 49 68.876 -27.685 -29.370 1.00 31.83 C
ATOM 411 C HIS A 49 67.511 -27.000 -29.482 1.00 36.60 C
ATOM 412 O HIS A 49 67.027 -26.750 -30.583 1.00 33.23 O
ATOM 413 CB HIS A 49 68.745 -29.146 -29.823 1.00 33.38 C
ATOM 414 CG HIS A 49 67.628 -29.892 -29.153 1.00 41.48 C
ATOM 415 ND1 HIS A 49 67.750 -30.450 -27.898 1.00 39.48 N
ATOM 416 CD2 HIS A 49 66.370 -30.177 -29.570 1.00 36.12 C
ATOM 417 CE1 HIS A 49 66.615 -31.041 -27.567 1.00 36.23 C
ATOM 418 NE2 HIS A 49 65.762 -30.892 -28.565 1.00 40.67 N
ATOM 419 N LEU A 50 66.883 -26.710 -28.344 1.00 29.27 N
ATOM 420 CA LEU A 50 65.584 -26.043 -28.342 1.00 28.19 C
ATOM 421 C LEU A 50 65.754 -24.566 -28.707 1.00 28.33 C
ATOM 422 O LEU A 50 66.326 -23.790 -27.946 1.00 31.80 O
ATOM 423 CB LEU A 50 64.900 -26.208 -26.974 1.00 31.36 C
ATOM 424 CG LEU A 50 64.522 -27.652 -26.607 1.00 30.88 C
ATOM 425 CD1 LEU A 50 64.093 -27.806 -25.149 1.00 27.48 C
ATOM 426 CD2 LEU A 50 63.418 -28.176 -27.511 1.00 26.89 C
ATOM 427 N LYS A 51 65.250 -24.195 -29.883 1.00 31.61 N
ATOM 428 CA LYS A 51 65.518 -22.894 -30.503 1.00 35.76 C
ATOM 429 C LYS A 51 64.555 -21.772 -30.127 1.00 38.89 C
ATOM 430 O LYS A 51 64.921 -20.592 -30.151 1.00 38.91 O
ATOM 431 CB LYS A 51 65.486 -23.032 -32.024 1.00 33.60 C
ATOM 432 CG LYS A 51 66.684 -23.692 -32.654 1.00 37.24 C
ATOM 433 CD LYS A 51 66.526 -23.685 -34.181 1.00 41.95 C
ATOM 434 CE LYS A 51 67.778 -24.176 -34.887 1.00 39.77 C
ATOM 435 NZ LYS A 51 68.965 -23.364 -34.503 1.00 47.86 N
ATOM 436 N THR A 52 63.316 -22.150 -29.838 1.00 30.69 N
ATOM 437 CA THR A 52 62.223 -21.213 -29.626 1.00 27.94 C
ATOM 438 C THR A 52 61.403 -21.594 -28.409 1.00 27.19 C
ATOM 439 O THR A 52 61.490 -22.725 -27.920 1.00 28.32 O
ATOM 440 CB THR A 52 61.255 -21.165 -30.823 1.00 25.78 C
ATOM 441 OG1 THR A 52 60.570 -22.422 -30.922 1.00 28.85 O
ATOM 442 CG2 THR A 52 61.992 -20.860 -32.128 1.00 28.55 C
ATOM 443 N GLU A 53 60.575 -20.658 -27.955 1.00 29.77 N
ATOM 444 CA GLU A 53 59.660 -20.911 -26.849 1.00 29.90 C
ATOM 445 C GLU A 53 58.673 -22.012 -27.207 1.00 30.02 C
ATOM 446 O GLU A 53 58.339 -22.865 -26.368 1.00 27.07 O
ATOM 447 CB GLU A 53 58.904 -19.632 -26.465 1.00 32.96 C
ATOM 448 CG GLU A 53 57.887 -19.837 -25.347 1.00 46.17 C
ATOM 449 CD GLU A 53 57.284 -18.533 -24.845 1.00 51.70 C
ATOM 450 OE1 GLU A 53 56.595 -18.560 -23.800 1.00 48.09 O
ATOM 451 OE2 GLU A 53 57.501 -17.485 -25.490 1.00 47.36 O
ATOM 452 N ALA A 54 58.211 -22.009 -28.455 1.00 26.60 N
ATOM 453 CA ALA A 54 57.275 -23.043 -28.886 1.00 31.40 C
ATOM 454 C ALA A 54 57.901 -24.441 -28.790 1.00 28.12 C
ATOM 455 O ALA A 54 57.253 -25.374 -28.314 1.00 30.31 O
ATOM 456 CB ALA A 54 56.781 -22.770 -30.318 1.00 29.72 C
ATOM 457 N GLU A 55 59.154 -24.590 -29.226 1.00 27.97 N
ATOM 458 CA GLU A 55 59.830 -25.884 -29.121 1.00 28.71 C
ATOM 459 C GLU A 55 59.983 -26.303 -27.654 1.00 24.34 C
ATOM 460 O GLU A 55 59.839 -27.473 -27.313 1.00 22.67 O
ATOM 461 CB GLU A 55 61.205 -25.848 -29.799 1.00 27.34 C
ATOM 462 CG GLU A 55 61.147 -25.747 -31.326 1.00 29.25 C
ATOM 463 CD GLU A 55 62.521 -25.752 -31.981 1.00 33.20 C
ATOM 464 OE1 GLU A 55 62.579 -25.739 -33.229 1.00 41.99 O
ATOM 465 OE2 GLU A 55 63.542 -25.773 -31.262 1.00 34.46 O
ATOM 466 N MET A 56 60.287 -25.340 -26.792 1.00 27.02 N
ATOM 467 CA MET A 56 60.457 -25.623 -25.371 1.00 26.80 C
ATOM 468 C MET A 56 59.154 -26.093 -24.737 1.00 26.64 C
ATOM 469 O MET A 56 59.141 -27.042 -23.960 1.00 25.03 O
ATOM 470 CB MET A 56 60.983 -24.388 -24.640 1.00 22.22 C
ATOM 471 CG MET A 56 62.402 -24.040 -25.018 1.00 21.81 C
ATOM 472 SD MET A 56 62.905 -22.503 -24.245 1.00 28.27 S
ATOM 473 CE MET A 56 64.459 -22.220 -25.104 1.00 34.44 C
ATOM 474 N LYS A 57 58.055 -25.439 -25.101 1.00 25.37 N
ATOM 475 CA LYS A 57 56.742 -25.785 -24.570 1.00 26.41 C
ATOM 476 C LYS A 57 56.314 -27.186 -24.978 1.00 31.39 C
ATOM 477 O LYS A 57 55.579 -27.853 -24.253 1.00 30.32 O
ATOM 478 CB LYS A 57 55.696 -24.774 -25.037 1.00 28.70 C
ATOM 479 CG LYS A 57 55.694 -23.476 -24.250 1.00 35.62 C
ATOM 480 CD LYS A 57 54.721 -22.476 -24.851 1.00 37.19 C
ATOM 481 CE LYS A 57 54.748 -21.155 -24.113 1.00 41.32 C
ATOM 482 NZ LYS A 57 53.947 -20.117 -24.821 1.00 49.28 N
ATOM 483 N ALA A 58 56.791 -27.633 -26.137 1.00 27.17 N
ATOM 484 CA ALA A 58 56.365 -28.905 -26.703 1.00 30.21 C
ATOM 485 C ALA A 58 57.309 -30.047 -26.313 1.00 32.71 C
ATOM 486 O ALA A 58 57.051 -31.215 -26.624 1.00 32.04 O
ATOM 487 CB ALA A 58 56.264 -28.790 -28.222 1.00 30.46 C
ATOM 488 N SER A 59 58.396 -29.708 -25.622 1.00 25.53 N
ATOM 489 CA SER A 59 59.384 -30.697 -25.209 1.00 28.34 C
ATOM 490 C SER A 59 58.923 -31.434 -23.958 1.00 24.38 C
ATOM 491 O SER A 59 58.842 -30.844 -22.882 1.00 24.66 O
ATOM 492 CB SER A 59 60.744 -30.031 -24.957 1.00 24.66 C
ATOM 493 OG SER A 59 61.653 -30.946 -24.355 1.00 23.32 O
ATOM 494 N GLU A 60 58.606 -32.719 -24.109 1.00 28.52 N
ATOM 495 CA GLU A 60 58.198 -33.546 -22.978 1.00 23.53 C
ATOM 496 C GLU A 60 59.372 -33.789 -22.030 1.00 26.52 C
ATOM 497 O GLU A 60 59.193 -33.929 -20.823 1.00 23.27 O
ATOM 498 CB GLU A 60 57.622 -34.886 -23.461 1.00 26.64 C
ATOM 499 CG GLU A 60 56.423 -34.739 -24.389 1.00 39.95 C
ATOM 500 CD GLU A 60 55.261 -34.006 -23.742 1.00 46.33 C
ATOM 501 OE1 GLU A 60 55.032 -34.189 -22.524 1.00 43.66 O
ATOM 502 OE2 GLU A 60 54.583 -33.235 -24.455 1.00 59.82 O
ATOM 503 N ASP A 61 60.577 -33.841 -22.579 1.00 23.13 N
ATOM 504 CA AASP A 61 61.734 -34.072 -21.724 0.50 24.81 C
ATOM 505 CA BASP A 61 61.790 -34.026 -21.794 0.50 24.83 C
ATOM 506 C ASP A 61 62.040 -32.823 -20.890 1.00 20.99 C
ATOM 507 O ASP A 61 62.407 -32.950 -19.717 1.00 21.78 O
ATOM 508 CB AASP A 61 62.954 -34.505 -22.545 0.50 29.32 C
ATOM 509 CB BASP A 61 62.978 -34.237 -22.730 0.50 29.49 C
ATOM 510 CG AASP A 61 62.981 -36.017 -22.811 0.50 34.80 C
ATOM 511 CG BASP A 61 64.142 -34.901 -22.050 0.50 30.66 C
ATOM 512 OD1AASP A 61 62.157 -36.764 -22.226 0.50 27.66 O
ATOM 513 OD1BASP A 61 63.910 -35.842 -21.259 0.50 30.97 O
ATOM 514 OD2AASP A 61 63.841 -36.460 -23.600 0.50 32.67 O
ATOM 515 OD2BASP A 61 65.291 -34.483 -22.312 0.50 32.49 O
ATOM 516 N LEU A 62 61.857 -31.633 -21.459 1.00 19.81 N
ATOM 517 CA LEU A 62 62.036 -30.398 -20.688 1.00 20.03 C
ATOM 518 C LEU A 62 60.980 -30.316 -19.579 1.00 22.06 C
ATOM 519 O LEU A 62 61.278 -29.917 -18.451 1.00 19.29 O
ATOM 520 CB LEU A 62 61.949 -29.161 -21.578 1.00 16.85 C
ATOM 521 CG LEU A 62 62.280 -27.828 -20.891 1.00 20.03 C
ATOM 522 CD1 LEU A 62 63.709 -27.812 -20.349 1.00 21.88 C
ATOM 523 CD2 LEU A 62 62.063 -26.636 -21.818 1.00 25.48 C
ATOM 524 N LYS A 63 59.745 -30.694 -19.909 1.00 21.84 N
ATOM 525 CA LYS A 63 58.680 -30.728 -18.912 1.00 17.70 C
ATOM 526 C LYS A 63 59.053 -31.660 -17.752 1.00 18.72 C
ATOM 527 O LYS A 63 58.853 -31.329 -16.577 1.00 18.86 O
ATOM 528 CB LYS A 63 57.360 -31.182 -19.547 1.00 15.86 C
ATOM 529 CG LYS A 63 56.207 -31.172 -18.570 1.00 20.70 C
ATOM 530 CD LYS A 63 54.874 -31.310 -19.295 1.00 28.80 C
ATOM 531 CE LYS A 63 54.684 -32.694 -19.875 1.00 44.74 C
ATOM 532 NZ LYS A 63 53.395 -32.788 -20.644 1.00 40.92 N
ATOM 533 N LYS A 64 59.613 -32.813 -18.104 1.00 17.87 N
ATOM 534 CA LYS A 64 60.004 -33.828 -17.132 1.00 21.07 C
ATOM 535 C LYS A 64 61.078 -33.271 -16.202 1.00 19.01 C
ATOM 536 O LYS A 64 61.043 -33.474 -14.985 1.00 19.78 O
ATOM 537 CB LYS A 64 60.508 -35.077 -17.863 1.00 22.49 C
ATOM 538 CG LYS A 64 61.015 -36.211 -17.000 1.00 35.31 C
ATOM 539 CD LYS A 64 61.492 -37.358 -17.903 1.00 40.19 C
ATOM 540 CE LYS A 64 61.928 -38.576 -17.098 1.00 47.65 C
ATOM 541 NZ LYS A 64 62.973 -38.207 -16.101 1.00 47.79 N
ATOM 542 N HIS A 65 62.034 -32.558 -16.780 1.00 20.52 N
ATOM 543 CA HIS A 65 63.097 -31.988 -15.968 1.00 18.30 C
ATOM 544 C HIS A 65 62.591 -30.884 -15.039 1.00 17.84 C
ATOM 545 O HIS A 65 63.034 -30.771 -13.892 1.00 16.79 O
ATOM 546 CB HIS A 65 64.220 -31.447 -16.846 1.00 17.52 C
ATOM 547 CG HIS A 65 65.384 -30.951 -16.052 1.00 22.39 C
ATOM 548 ND1 HIS A 65 66.130 -31.774 -15.237 1.00 25.91 N
ATOM 549 CD2 HIS A 65 65.909 -29.713 -15.924 1.00 21.20 C
ATOM 550 CE1 HIS A 65 67.076 -31.063 -14.650 1.00 24.99 C
ATOM 551 NE2 HIS A 65 66.953 -29.807 -15.043 1.00 19.67 N
ATOM 552 N GLY A 66 61.639 -30.088 -15.518 1.00 14.98 N
ATOM 553 CA GLY A 66 61.058 -29.053 -14.685 1.00 18.26 C
ATOM 554 C GLY A 66 60.349 -29.641 -13.468 1.00 16.26 C
ATOM 555 O GLY A 66 60.411 -29.082 -12.375 1.00 15.07 O
ATOM 556 N VAL A 67 59.701 -30.788 -13.641 1.00 18.33 N
ATOM 557 CA VAL A 67 59.048 -31.446 -12.511 1.00 17.99 C
ATOM 558 C VAL A 67 60.099 -31.944 -11.517 1.00 16.15 C
ATOM 559 O VAL A 67 59.940 -31.789 -10.311 1.00 17.64 O
ATOM 560 CB VAL A 67 58.149 -32.622 -12.973 1.00 20.50 C
ATOM 561 CG1 VAL A 67 57.563 -33.373 -11.771 1.00 18.46 C
ATOM 562 CG2 VAL A 67 57.035 -32.094 -13.855 1.00 18.92 C
ATOM 563 N THR A 68 61.192 -32.504 -12.037 1.00 17.63 N
ATOM 564 CA THR A 68 62.302 -32.944 -11.194 1.00 15.20 C
ATOM 565 C THR A 68 62.948 -31.812 -10.377 1.00 16.49 C
ATOM 566 O THR A 68 63.195 -31.970 -9.181 1.00 14.90 O
ATOM 567 CB THR A 68 63.372 -33.628 -12.044 1.00 18.41 C
ATOM 568 OG1 THR A 68 62.822 -34.842 -12.580 1.00 17.67 O
ATOM 569 CG2 THR A 68 64.587 -33.985 -11.191 1.00 20.40 C
ATOM 570 N VAL A 69 63.210 -30.676 -11.024 1.00 15.78 N
ATOM 571 CA VAL A 69 63.792 -29.514 -10.362 1.00 14.29 C
ATOM 572 C VAL A 69 62.865 -28.939 -9.280 1.00 15.19 C
ATOM 573 O VAL A 69 63.295 -28.691 -8.156 1.00 15.96 O
ATOM 574 CB VAL A 69 64.116 -28.405 -11.388 1.00 14.82 C
ATOM 575 CG1 VAL A 69 64.534 -27.106 -10.696 1.00 12.23 C
ATOM 576 CG2 VAL A 69 65.190 -28.895 -12.375 1.00 17.22 C
ATOM 577 N LEU A 70 61.595 -28.719 -9.608 1.00 14.62 N