NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
|
|
385266 |
1kwj   |
5279 | cing | 4-filtered-FRED | STAR | entry | full | 766 |
data_FRED_restraints_with_modified_coordinates_PDB_code_1kwj
# This FRED archive file contains, for PDB entry <1kwj>:
#
# - Coordinates and sequence information from the PDB mmCIF file
# - NMR restraints from the PDB MR file
#
# In this file, the coordinates and NMR restraints share the same atom names,
# and in this way can differ from the data deposited at the wwPDB. To achieve
# this aim, the NMR restraints were parsed from their original format files, and
# the coordinates and NMR restraints information were subsequently harmonized.
#
# Due to the complexity of this harmonization process and the filtering process
# used in creating these files, the NMR restraints information in these files
# may differ significantly from that in the originally deposited file. Other
# modifications could have occurred to the NMR restraints information, or data
# could have been lost because of parsing or conversion errors. The PDB file
# remains the authoritative reference for the atomic coordinates and the
# originally deposited restraints files remain the primary reference for these
# data.
#
# This file is generated at the BioMagResBank (BMRB) in collaboration with the
# PDBe (formerly MSD) group at the European Bioinformatics Institute (EBI) and
# the CMBI/IMM group at the Radboud University of Nijmegen.
#
# Several software packages were used to produce this file:
#
# - Wattos (BMRB and CMBI/IMM).
# - FormatConverter and NMRStarExport (PDBe).
# - CCPN framework (http://www.ccpn.ac.uk/).
#
# More information about this process can be found in the references below.
# Please cite the original reference for this PDB entry.
#
# JF Doreleijers, A Nederveen, W Vranken, J Lin, AM Bonvin, R Kaptein, JL
# Markley, and EL Ulrich (2005). BioMagResBank databases DOCR and FRED
# containing converted and filtered sets of experimental NMR restraints and
# coordinates from over 500 protein PDB structures. J. Biomol. NMR 32, 1-12.
#
# WF Vranken, W Boucher, TJ Stevens, RH Fogh, A Pajon, M Llinas, EL Ulrich, JL
# Markley, J Ionides, ED Laue (2005). The CCPN data model for NMR spectroscopy:
# development of a software pipeline. Proteins 59, 687-696.
#
# JF Doreleijers, W Vranken, C Penkett, J Lin, CF Schulte, G Vuister, G Vriend,
# JL Markley, EL Ulrich. BioMagResBank database `NMR Restraints Grid` with
# curated sets of experimental NMR restraints for over 4,000 protein and nucleic
# acid PDB entries. (in preparation)
save_Conversion_project_for_entry_Name_1
_Study_list.Sf_category study_list
_Study_list.Entry_ID 1
_Study_list.ID 1
loop_
_Study.ID
_Study.Name
_Study.Type
_Study.Details
_Study.Entry_ID
_Study.Study_list_ID
1 "Conversion project for entry 1" NMR . 1 1
stop_
save_
save_originalConstraints_1
_Entry.Sf_category entry_information
_Entry.ID 1
_Entry.Title "Data for entry 1"
_Entry.NMR_STAR_version 3.1.0.8
_Entry.Experimental_method NMR
_Entry.Details .
save_
save_assembly_1kwj
_Assembly.Sf_category assembly
_Assembly.Entry_ID 1
_Assembly.ID 1
_Assembly.Name 1kwj
_Assembly.Number_of_components 4
_Assembly.Organic_ligands .
_Assembly.Metal_ions .
_Assembly.Paramagnetic .
_Assembly.Thiol_state "all other bound"
_Assembly.Molecular_mass 8993.41
loop_
_Entity_assembly.ID
_Entity_assembly.Entity_assembly_name
_Entity_assembly.Entity_ID
_Entity_assembly.Entity_label
_Entity_assembly.Asym_ID
_Entity_assembly.Details
_Entity_assembly.Entry_ID
_Entity_assembly.Assembly_ID
1 . 1 $cytochrome_c7 A . 1 1
2 . 2 $HEME_C B . 1 1
3 . 2 $HEME_C C . 1 1
4 . 2 $HEME_C D . 1 1
stop_
loop_
_PDBX_nonpoly_scheme.Entity_assembly_ID
_PDBX_nonpoly_scheme.Entity_ID
_PDBX_nonpoly_scheme.Mon_ID
_PDBX_nonpoly_scheme.Comp_index_ID
_PDBX_nonpoly_scheme.Comp_ID
_PDBX_nonpoly_scheme.Entry_ID
_PDBX_nonpoly_scheme.Assembly_ID
2 2 HEC 1 HEC 1 1
3 2 HEC 1 HEC 1 1
4 2 HEC 1 HEC 1 1
stop_
save_
save_cytochrome_c7
_Entity.Sf_category entity
_Entity.Entry_ID 1
_Entity.ID 1
_Entity.Name "cytochrome c7"
_Entity.Type polymer
_Entity.Polymer_type polypeptide(L)
_Entity.Polymer_seq_one_letter_code ADVVTYENAAGNVTFDHKAHAEKLGCDACHEGTPAKIAIDKKSAHKDACKTCHKSNNGPTKCGGCHIK
_Entity.Number_of_monomers 68
loop_
_Entity_comp_index.ID
_Entity_comp_index.Comp_ID
_Entity_comp_index.Comp_label
_Entity_comp_index.Entry_ID
_Entity_comp_index.Entity_ID
1 ALA . 1 1
2 ASP . 1 1
3 VAL . 1 1
4 VAL . 1 1
5 THR . 1 1
6 TYR . 1 1
7 GLU . 1 1
8 ASN . 1 1
9 ALA . 1 1
10 ALA . 1 1
11 GLY . 1 1
12 ASN . 1 1
13 VAL . 1 1
14 THR . 1 1
15 PHE . 1 1
16 ASP . 1 1
17 HIS . 1 1
18 LYS . 1 1
19 ALA . 1 1
20 HIS . 1 1
21 ALA . 1 1
22 GLU . 1 1
23 LYS . 1 1
24 LEU . 1 1
25 GLY . 1 1
26 CYS . 1 1
27 ASP . 1 1
28 ALA . 1 1
29 CYS . 1 1
30 HIS . 1 1
31 GLU . 1 1
32 GLY . 1 1
33 THR . 1 1
34 PRO . 1 1
35 ALA . 1 1
36 LYS . 1 1
37 ILE . 1 1
38 ALA . 1 1
39 ILE . 1 1
40 ASP . 1 1
41 LYS . 1 1
42 LYS . 1 1
43 SER . 1 1
44 ALA . 1 1
45 HIS . 1 1
46 LYS . 1 1
47 ASP . 1 1
48 ALA . 1 1
49 CYS . 1 1
50 LYS . 1 1
51 THR . 1 1
52 CYS . 1 1
53 HIS . 1 1
54 LYS . 1 1
55 SER . 1 1
56 ASN . 1 1
57 ASN . 1 1
58 GLY . 1 1
59 PRO . 1 1
60 THR . 1 1
61 LYS . 1 1
62 CYS . 1 1
63 GLY . 1 1
64 GLY . 1 1
65 CYS . 1 1
66 HIS . 1 1
67 ILE . 1 1
68 LYS . 1 1
stop_
loop_
_Entity_poly_seq.Mon_ID
_Entity_poly_seq.Num
_Entity_poly_seq.Comp_index_ID
_Entity_poly_seq.Entry_ID
_Entity_poly_seq.Entity_ID
ALA 1 1 1 1
ASP 2 2 1 1
VAL 3 3 1 1
VAL 4 4 1 1
THR 5 5 1 1
TYR 6 6 1 1
GLU 7 7 1 1
ASN 8 8 1 1
ALA 9 9 1 1
ALA 10 10 1 1
GLY 11 11 1 1
ASN 12 12 1 1
VAL 13 13 1 1
THR 14 14 1 1
PHE 15 15 1 1
ASP 16 16 1 1
HIS 17 17 1 1
LYS 18 18 1 1
ALA 19 19 1 1
HIS 20 20 1 1
ALA 21 21 1 1
GLU 22 22 1 1
LYS 23 23 1 1
LEU 24 24 1 1
GLY 25 25 1 1
CYS 26 26 1 1
ASP 27 27 1 1
ALA 28 28 1 1
CYS 29 29 1 1
HIS 30 30 1 1
GLU 31 31 1 1
GLY 32 32 1 1
THR 33 33 1 1
PRO 34 34 1 1
ALA 35 35 1 1
LYS 36 36 1 1
ILE 37 37 1 1
ALA 38 38 1 1
ILE 39 39 1 1
ASP 40 40 1 1
LYS 41 41 1 1
LYS 42 42 1 1
SER 43 43 1 1
ALA 44 44 1 1
HIS 45 45 1 1
LYS 46 46 1 1
ASP 47 47 1 1
ALA 48 48 1 1
CYS 49 49 1 1
LYS 50 50 1 1
THR 51 51 1 1
CYS 52 52 1 1
HIS 53 53 1 1
LYS 54 54 1 1
SER 55 55 1 1
ASN 56 56 1 1
ASN 57 57 1 1
GLY 58 58 1 1
PRO 59 59 1 1
THR 60 60 1 1
LYS 61 61 1 1
CYS 62 62 1 1
GLY 63 63 1 1
GLY 64 64 1 1
CYS 65 65 1 1
HIS 66 66 1 1
ILE 67 67 1 1
LYS 68 68 1 1
stop_
save_
save_HEME_C
_Entity.Sf_category entity
_Entity.Entry_ID 1
_Entity.ID 2
_Entity.Name "HEME C"
_Entity.Type non-polymer
loop_
_Entity_comp_index.ID
_Entity_comp_index.Comp_ID
_Entity_comp_index.Comp_label
_Entity_comp_index.Entry_ID
_Entity_comp_index.Entity_ID
1 HEC $HEC 1 2
stop_
save_
save_HEC
_Chem_comp.Sf_category chem_comp
_Chem_comp.Entry_ID 1
_Chem_comp.ID HEC
_Chem_comp.Type non-polymer
save_
save_DYANA/DIANA_distance_constraints_2_1
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID 1
_Distance_constraint_list.ID 1
_Distance_constraint_list.Constraint_type NOE
_Distance_constraint_list.Constraint_file_ID .
_Distance_constraint_list.Block_ID .
loop_
_Dist_constraint_tree.Constraint_ID
_Dist_constraint_tree.Node_ID
_Dist_constraint_tree.Down_node_ID
_Dist_constraint_tree.Right_node_ID
_Dist_constraint_tree.Logic_operation
_Dist_constraint_tree.Entry_ID
_Dist_constraint_tree.Distance_constraint_list_ID
1 1 . . . 1 1
2 1 . . . 1 1
3 1 . . . 1 1
4 1 . . . 1 1
5 1 . . . 1 1
6 1 . . . 1 1
7 1 . . . 1 1
8 1 . . . 1 1
9 1 . . . 1 1
10 1 . . . 1 1
11 1 . . . 1 1
12 1 . . . 1 1
13 1 . . . 1 1
14 1 . . . 1 1
15 1 . . . 1 1
16 1 . . . 1 1
17 1 . . . 1 1
18 1 . . . 1 1
19 1 . . . 1 1
20 1 . . . 1 1
21 1 . . . 1 1
22 1 . . . 1 1
23 1 . . . 1 1
24 1 . . . 1 1
25 1 . . . 1 1
26 1 . . . 1 1
27 1 . . . 1 1
28 1 . . . 1 1
29 1 . . . 1 1
30 1 . . . 1 1
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33 1 . . . 1 1
34 1 . . . 1 1
35 1 . . . 1 1
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40 1 . . . 1 1
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44 1 . . . 1 1
45 1 . . . 1 1
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48 1 . . . 1 1
49 1 . . . 1 1
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51 1 . . . 1 1
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55 1 . . . 1 1
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560 1 . . . 1 1
561 1 . . . 1 1
562 1 . . . 1 1
563 1 . . . 1 1
564 1 . . . 1 1
565 1 . . . 1 1
566 1 . . . 1 1
567 1 . . . 1 1
568 1 . . . 1 1
569 1 . . . 1 1
570 1 . . . 1 1
571 1 . . . 1 1
572 1 . . . 1 1
573 1 . . . 1 1
574 1 . . . 1 1
575 1 . . . 1 1
576 1 . . . 1 1
577 1 . . . 1 1
578 1 . . . 1 1
579 1 . . . 1 1
580 1 . . . 1 1
581 1 . . . 1 1
582 1 . . . 1 1
583 1 . . . 1 1
584 1 . . . 1 1
585 1 . . . 1 1
586 1 . . . 1 1
587 1 . . . 1 1
588 1 . . . 1 1
589 1 . . . 1 1
590 1 . . . 1 1
591 1 . . . 1 1
592 1 . . . 1 1
593 1 . . . 1 1
594 1 . . . 1 1
595 1 . . . 1 1
596 1 . . . 1 1
597 1 . . . 1 1
598 1 . . . 1 1
599 1 . . . 1 1
600 1 . . . 1 1
601 1 . . . 1 1
602 1 . . . 1 1
603 1 . . . 1 1
604 1 . . . 1 1
605 1 . . . 1 1
606 1 . . . 1 1
607 1 . . . 1 1
608 1 . . . 1 1
609 1 . . . 1 1
610 1 . . . 1 1
611 1 . . . 1 1
612 1 . . . 1 1
613 1 . . . 1 1
614 1 . . . 1 1
615 1 . . . 1 1
616 1 . . . 1 1
617 1 . . . 1 1
618 1 . . . 1 1
619 1 . . . 1 1
620 1 . . . 1 1
621 1 . . . 1 1
622 1 . . . 1 1
623 1 . . . 1 1
624 1 . . . 1 1
625 1 . . . 1 1
626 1 . . . 1 1
627 1 . . . 1 1
628 1 . . . 1 1
629 1 . . . 1 1
630 1 . . . 1 1
631 1 . . . 1 1
632 1 . . . 1 1
633 1 . . . 1 1
634 1 . . . 1 1
635 1 . . . 1 1
636 1 . . . 1 1
637 1 . . . 1 1
638 1 . . . 1 1
639 1 . . . 1 1
640 1 . . . 1 1
641 1 . . . 1 1
642 1 . . . 1 1
643 1 . . . 1 1
644 1 . . . 1 1
645 1 . . . 1 1
646 1 . . . 1 1
647 1 . . . 1 1
648 1 . . . 1 1
649 1 . . . 1 1
650 1 . . . 1 1
651 1 . . . 1 1
652 1 . . . 1 1
653 1 . . . 1 1
654 1 . . . 1 1
655 1 . . . 1 1
656 1 . . . 1 1
657 1 . . . 1 1
658 1 . . . 1 1
659 1 . . . 1 1
660 1 . . . 1 1
661 1 . . . 1 1
662 1 . . . 1 1
663 1 . . . 1 1
664 1 . . . 1 1
665 1 . . . 1 1
666 1 . . . 1 1
667 1 . . . 1 1
668 1 . . . 1 1
669 1 . . . 1 1
670 1 . . . 1 1
671 1 . . . 1 1
672 1 . . . 1 1
673 1 . . . 1 1
674 1 . . . 1 1
675 1 . . . 1 1
676 1 . . . 1 1
677 1 . . . 1 1
678 1 . . . 1 1
679 1 . . . 1 1
680 1 . . . 1 1
681 1 . . . 1 1
682 1 . . . 1 1
683 1 . . . 1 1
684 1 . . . 1 1
685 1 . . . 1 1
686 1 . . . 1 1
687 1 . . . 1 1
688 1 . . . 1 1
689 1 . . . 1 1
690 1 . . . 1 1
691 1 . . . 1 1
692 1 . . . 1 1
693 1 . . . 1 1
694 1 . . . 1 1
695 1 . . . 1 1
696 1 . . . 1 1
697 1 . . . 1 1
698 1 . . . 1 1
699 1 . . . 1 1
700 1 . . . 1 1
701 1 . . . 1 1
702 1 . . . 1 1
703 1 . . . 1 1
704 1 . . . 1 1
705 1 . . . 1 1
706 1 . . . 1 1
707 1 . . . 1 1
708 1 . . . 1 1
709 1 . . . 1 1
710 1 . . . 1 1
711 1 . . . 1 1
712 1 . . . 1 1
713 1 . . . 1 1
714 1 . . . 1 1
715 1 . . . 1 1
716 1 . . . 1 1
717 1 . . . 1 1
718 1 . . . 1 1
719 1 . . . 1 1
720 1 . . . 1 1
721 1 . . . 1 1
722 1 . . . 1 1
723 1 . . . 1 1
724 1 . . . 1 1
725 1 . . . 1 1
726 1 . . . 1 1
727 1 . . . 1 1
728 1 . . . 1 1
729 1 . . . 1 1
730 1 . . . 1 1
731 1 . . . 1 1
732 1 . . . 1 1
733 1 . . . 1 1
734 1 . . . 1 1
735 1 . . . 1 1
736 1 . . . 1 1
737 1 . . . 1 1
738 1 . . . 1 1
739 1 . . . 1 1
740 1 . . . 1 1
741 1 . . . 1 1
742 1 . . . 1 1
743 1 . . . 1 1
744 1 . . . 1 1
745 1 . . . 1 1
746 1 . . . 1 1
747 1 . . . 1 1
748 1 . . . 1 1
749 1 . . . 1 1
750 1 . . . 1 1
751 1 . . . 1 1
752 1 . . . 1 1
753 1 . . . 1 1
754 1 . . . 1 1
755 1 . . . 1 1
756 1 . . . 1 1
757 1 . . . 1 1
758 1 . . . 1 1
759 1 . . . 1 1
760 1 . . . 1 1
761 1 . . . 1 1
762 1 . . . 1 1
763 1 . . . 1 1
764 1 . . . 1 1
765 1 . . . 1 1
766 1 . . . 1 1
stop_
loop_
_Dist_constraint.Tree_node_member_constraint_ID
_Dist_constraint.Tree_node_member_node_ID
_Dist_constraint.Constraint_tree_node_member_ID
_Dist_constraint.Entity_assembly_ID
_Dist_constraint.Entity_ID
_Dist_constraint.Comp_index_ID
_Dist_constraint.Comp_ID
_Dist_constraint.Atom_ID
_Dist_constraint.Auth_asym_ID
_Dist_constraint.Auth_seq_ID
_Dist_constraint.Auth_comp_ID
_Dist_constraint.Auth_atom_ID
_Dist_constraint.Entry_ID
_Dist_constraint.Distance_constraint_list_ID
1 1 1 1 1 1 ALA HA . 1 ALA HA 1 1
1 1 2 1 1 4 VAL QG . 4 VAL QG2 1 1
2 1 1 1 1 2 ASP H . 2 ASP- HN 1 1
2 1 2 1 1 3 VAL H . 3 VAL HN 1 1
3 1 1 1 1 2 ASP HA . 2 ASP- HA 1 1
3 1 2 1 1 3 VAL H . 3 VAL HN 1 1
4 1 1 1 1 2 ASP HA . 2 ASP- HA 1 1
4 1 2 1 1 3 VAL MG2 . 3 VAL QG2 1 1
5 1 1 1 1 2 ASP HA . 2 ASP- HA 1 1
5 1 2 1 1 17 HIS H . 17 HIS HN 1 1
6 1 1 1 1 2 ASP HA . 2 ASP- HA 1 1
6 1 2 1 1 17 HIS HB2 . 17 HIS HB2 1 1
7 1 1 1 1 2 ASP HA . 2 ASP- HA 1 1
7 1 2 1 1 17 HIS HB3 . 17 HIS HB3 1 1
8 1 1 1 1 2 ASP HA . 2 ASP- HA 1 1
8 1 2 1 1 18 LYS H . 18 LYS+ HN 1 1
9 1 1 1 1 2 ASP HA . 2 ASP- HA 1 1
9 1 2 1 1 18 LYS HA . 18 LYS+ HA 1 1
10 1 1 1 1 2 ASP HA . 2 ASP- HA 1 1
10 1 2 1 1 18 LYS HB2 . 18 LYS+ HB2 1 1
11 1 1 1 1 2 ASP HA . 2 ASP- HA 1 1
11 1 2 1 1 18 LYS HB3 . 18 LYS+ HB3 1 1
12 1 1 1 1 2 ASP HA . 2 ASP- HA 1 1
12 1 2 1 1 18 LYS QD . 18 LYS+ QD 1 1
13 1 1 1 1 2 ASP HA . 2 ASP- HA 1 1
13 1 2 1 1 18 LYS HG3 . 18 LYS+ HG3 1 1
14 1 1 1 1 2 ASP HA . 2 ASP- HA 1 1
14 1 2 1 1 19 ALA H . 19 ALA HN 1 1
15 1 1 1 1 2 ASP HB2 . 2 ASP- HB2 1 1
15 1 2 1 1 3 VAL H . 3 VAL HN 1 1
16 1 1 1 1 2 ASP HB2 . 2 ASP- HB2 1 1
16 1 2 1 1 18 LYS HB2 . 18 LYS+ HB2 1 1
17 1 1 1 1 2 ASP HB3 . 2 ASP- HB3 1 1
17 1 2 1 1 3 VAL H . 3 VAL HN 1 1
18 1 1 1 1 2 ASP HB3 . 2 ASP- HB3 1 1
18 1 2 1 1 3 VAL MG2 . 3 VAL QG2 1 1
19 1 1 1 1 3 VAL H . 3 VAL HN 1 1
19 1 2 1 1 3 VAL HB . 3 VAL HB 1 1
20 1 1 1 1 3 VAL H . 3 VAL HN 1 1
20 1 2 1 1 4 VAL H . 4 VAL HN 1 1
21 1 1 1 1 3 VAL H . 3 VAL HN 1 1
21 1 2 1 1 4 VAL QG . 4 VAL QG2 1 1
22 1 1 1 1 3 VAL H . 3 VAL HN 1 1
22 1 2 1 1 16 ASP HA . 16 ASP- HA 1 1
23 1 1 1 1 3 VAL H . 3 VAL HN 1 1
23 1 2 1 1 17 HIS H . 17 HIS HN 1 1
24 1 1 1 1 3 VAL H . 3 VAL HN 1 1
24 1 2 1 1 18 LYS H . 18 LYS+ HN 1 1
25 1 1 1 1 3 VAL HA . 3 VAL HA 1 1
25 1 2 1 1 4 VAL H . 4 VAL HN 1 1
26 1 1 1 1 3 VAL HA . 3 VAL HA 1 1
26 1 2 1 1 4 VAL HB . 4 VAL HB 1 1
27 1 1 1 1 3 VAL HA . 3 VAL HA 1 1
27 1 2 1 1 4 VAL QG . 4 VAL QG2 1 1
28 1 1 1 1 3 VAL HA . 3 VAL HA 1 1
28 1 2 1 1 16 ASP HA . 16 ASP- HA 1 1
29 1 1 1 1 3 VAL HA . 3 VAL HA 1 1
29 1 2 1 1 16 ASP HB2 . 16 ASP- HB3 1 1
30 1 1 1 1 3 VAL HA . 3 VAL HA 1 1
30 1 2 1 1 17 HIS H . 17 HIS HN 1 1
31 1 1 1 1 3 VAL HA . 3 VAL HA 1 1
31 1 2 1 1 17 HIS HB2 . 17 HIS HB2 1 1
32 1 1 1 1 3 VAL HB . 3 VAL HB 1 1
32 1 2 1 1 4 VAL H . 4 VAL HN 1 1
33 1 1 1 1 3 VAL HB . 3 VAL HB 1 1
33 1 2 1 1 16 ASP HA . 16 ASP- HA 1 1
34 1 1 1 1 3 VAL MG1 . 3 VAL QG1 1 1
34 1 2 1 1 4 VAL H . 4 VAL HN 1 1
35 1 1 1 1 3 VAL MG1 . 3 VAL QG1 1 1
35 1 2 1 1 14 THR MG . 14 THR QG2 1 1
36 1 1 1 1 3 VAL MG1 . 3 VAL QG1 1 1
36 1 2 1 1 15 PHE H . 15 PHE HN 1 1
37 1 1 1 1 3 VAL MG1 . 3 VAL QG1 1 1
37 1 2 1 1 16 ASP HA . 16 ASP- HA 1 1
38 1 1 1 1 3 VAL MG1 . 3 VAL QG1 1 1
38 1 2 1 1 17 HIS H . 17 HIS HN 1 1
39 1 1 1 1 3 VAL MG2 . 3 VAL QG2 1 1
39 1 2 1 1 4 VAL H . 4 VAL HN 1 1
40 1 1 1 1 3 VAL MG2 . 3 VAL QG2 1 1
40 1 2 1 1 14 THR MG . 14 THR QG2 1 1
41 1 1 1 1 3 VAL MG2 . 3 VAL QG2 1 1
41 1 2 1 1 16 ASP HA . 16 ASP- HA 1 1
42 1 1 1 1 3 VAL MG2 . 3 VAL QG2 1 1
42 1 2 1 1 16 ASP HB2 . 16 ASP- HB3 1 1
43 1 1 1 1 3 VAL MG2 . 3 VAL QG2 1 1
43 1 2 1 1 17 HIS H . 17 HIS HN 1 1
44 1 1 1 1 3 VAL MG2 . 3 VAL QG2 1 1
44 1 2 1 1 18 LYS H . 18 LYS+ HN 1 1
45 1 1 1 1 4 VAL H . 4 VAL HN 1 1
45 1 2 1 1 4 VAL HB . 4 VAL HB 1 1
46 1 1 1 1 4 VAL H . 4 VAL HN 1 1
46 1 2 1 1 5 THR H . 5 THR HN 1 1
47 1 1 1 1 4 VAL H . 4 VAL HN 1 1
47 1 2 1 1 15 PHE QB . 15 PHE HB2 1 1
48 1 1 1 1 4 VAL H . 4 VAL HN 1 1
48 1 2 1 1 16 ASP HA . 16 ASP- HA 1 1
49 1 1 1 1 4 VAL H . 4 VAL HN 1 1
49 1 2 1 1 17 HIS H . 17 HIS HN 1 1
50 1 1 1 1 4 VAL H . 4 VAL HN 1 1
50 1 2 1 1 17 HIS HB2 . 17 HIS HB2 1 1
51 1 1 1 1 4 VAL H . 4 VAL HN 1 1
51 1 2 1 1 17 HIS HB3 . 17 HIS HB3 1 1
52 1 1 1 1 4 VAL H . 4 VAL HN 1 1
52 1 2 1 1 18 LYS H . 18 LYS+ HN 1 1
53 1 1 1 1 4 VAL HB . 4 VAL HB 1 1
53 1 2 1 1 5 THR H . 5 THR HN 1 1
54 1 1 1 1 4 VAL HB . 4 VAL HB 1 1
54 1 2 1 1 6 TYR CZ . 6 TYR CZ 1 1
55 1 1 1 1 4 VAL HB . 4 VAL HB 1 1
55 1 2 1 1 15 PHE CG . 15 PHE CG 1 1
56 1 1 1 1 4 VAL HB . 4 VAL HB 1 1
56 1 2 1 1 15 PHE H . 15 PHE HN 1 1
57 1 1 1 1 4 VAL HB . 4 VAL HB 1 1
57 1 2 1 1 15 PHE QB . 15 PHE HB2 1 1
58 1 1 1 1 4 VAL QG . 4 VAL QG1 1 1
58 1 2 1 1 5 THR H . 5 THR HN 1 1
59 1 1 1 1 4 VAL QG . 4 VAL QG1 1 1
59 1 2 1 1 5 THR HA . 5 THR HA 1 1
60 1 1 1 1 4 VAL QG . 4 VAL QG1 1 1
60 1 2 1 1 5 THR HB . 5 THR HB 1 1
61 1 1 1 1 4 VAL QG . 4 VAL QG1 1 1
61 1 2 1 1 6 TYR CG . 6 TYR CG 1 1
62 1 1 1 1 4 VAL QG . 4 VAL QG1 1 1
62 1 2 1 1 6 TYR CZ . 6 TYR CZ 1 1
63 1 1 1 1 4 VAL QG . 4 VAL QG1 1 1
63 1 2 1 1 6 TYR H . 6 TYR HN 1 1
64 1 1 1 1 4 VAL QG . 4 VAL QG2 1 1
64 1 2 1 1 6 TYR QB . 6 TYR HB2 1 1
65 1 1 1 1 4 VAL QG . 4 VAL QG1 1 1
65 1 2 1 1 15 PHE CG . 15 PHE CG 1 1
66 1 1 1 1 4 VAL QG . 4 VAL QG1 1 1
66 1 2 1 1 15 PHE CZ . 15 PHE CZ 1 1
67 1 1 1 1 4 VAL QG . 4 VAL QG1 1 1
67 1 2 1 1 15 PHE H . 15 PHE HN 1 1
68 1 1 1 1 4 VAL QG . 4 VAL QG1 1 1
68 1 2 1 1 15 PHE QB . 15 PHE HB2 1 1
69 1 1 1 1 4 VAL QG . 4 VAL QG2 1 1
69 1 2 1 1 17 HIS H . 17 HIS HN 1 1
70 1 1 1 1 4 VAL QG . 4 VAL QG2 1 1
70 1 2 1 1 17 HIS HB2 . 17 HIS HB2 1 1
71 1 1 1 1 4 VAL QG . 4 VAL QG2 1 1
71 1 2 1 1 17 HIS HB3 . 17 HIS HB3 1 1
72 1 1 1 1 4 VAL QG . 4 VAL QG2 1 1
72 1 2 1 1 18 LYS H . 18 LYS+ HN 1 1
73 1 1 1 1 5 THR H . 5 THR HN 1 1
73 1 2 1 1 5 THR HB . 5 THR HB 1 1
74 1 1 1 1 5 THR H . 5 THR HN 1 1
74 1 2 1 1 6 TYR H . 6 TYR HN 1 1
75 1 1 1 1 5 THR HA . 5 THR HA 1 1
75 1 2 1 1 6 TYR CG . 6 TYR CG 1 1
76 1 1 1 1 5 THR HA . 5 THR HA 1 1
76 1 2 1 1 6 TYR H . 6 TYR HN 1 1
77 1 1 1 1 5 THR HA . 5 THR HA 1 1
77 1 2 1 1 6 TYR QB . 6 TYR HB2 1 1
78 1 1 1 1 5 THR HA . 5 THR HA 1 1
78 1 2 1 1 13 VAL H . 13 VAL HN 1 1
79 1 1 1 1 5 THR HA . 5 THR HA 1 1
79 1 2 1 1 14 THR H . 14 THR HN 1 1
80 1 1 1 1 5 THR HA . 5 THR HA 1 1
80 1 2 1 1 14 THR HA . 14 THR HA 1 1
81 1 1 1 1 5 THR HA . 5 THR HA 1 1
81 1 2 1 1 14 THR MG . 14 THR QG2 1 1
82 1 1 1 1 5 THR HA . 5 THR HA 1 1
82 1 2 1 1 15 PHE H . 15 PHE HN 1 1
83 1 1 1 1 5 THR HB . 5 THR HB 1 1
83 1 2 1 1 6 TYR H . 6 TYR HN 1 1
84 1 1 1 1 5 THR HB . 5 THR HB 1 1
84 1 2 1 1 7 GLU HG2 . 7 GLU- HG2 1 1
85 1 1 1 1 5 THR MG . 5 THR QG2 1 1
85 1 2 1 1 6 TYR H . 6 TYR HN 1 1
86 1 1 1 1 5 THR MG . 5 THR QG2 1 1
86 1 2 1 1 7 GLU H . 7 GLU- HN 1 1
87 1 1 1 1 5 THR MG . 5 THR QG2 1 1
87 1 2 1 1 7 GLU HG2 . 7 GLU- HG2 1 1
88 1 1 1 1 5 THR MG . 5 THR QG2 1 1
88 1 2 1 1 7 GLU HG3 . 7 GLU- HG3 1 1
89 1 1 1 1 5 THR MG . 5 THR QG2 1 1
89 1 2 1 1 12 ASN HA . 12 ASN HA 1 1
90 1 1 1 1 5 THR MG . 5 THR QG2 1 1
90 1 2 1 1 12 ASN HB2 . 12 ASN HB3 1 1
91 1 1 1 1 5 THR MG . 5 THR QG2 1 1
91 1 2 1 1 12 ASN HB3 . 12 ASN HB2 1 1
92 1 1 1 1 5 THR MG . 5 THR QG2 1 1
92 1 2 1 1 12 ASN HD21 . 12 ASN HD21 1 1
93 1 1 1 1 5 THR MG . 5 THR QG2 1 1
93 1 2 1 1 12 ASN HD22 . 12 ASN HD22 1 1
94 1 1 1 1 5 THR MG . 5 THR QG2 1 1
94 1 2 1 1 13 VAL H . 13 VAL HN 1 1
95 1 1 1 1 5 THR MG . 5 THR QG2 1 1
95 1 2 1 1 14 THR HA . 14 THR HA 1 1
96 1 1 1 1 6 TYR CG . 6 TYR CG 1 1
96 1 2 1 1 7 GLU H . 7 GLU- HN 1 1
97 1 1 1 1 6 TYR CG . 6 TYR CG 1 1
97 1 2 1 1 7 GLU HG3 . 7 GLU- HG3 1 1
98 1 1 1 1 6 TYR CG . 6 TYR CG 1 1
98 1 2 1 1 12 ASN HA . 12 ASN HA 1 1
99 1 1 1 1 6 TYR CG . 6 TYR CG 1 1
99 1 2 1 1 13 VAL H . 13 VAL HN 1 1
100 1 1 1 1 6 TYR CG . 6 TYR CG 1 1
100 1 2 1 1 13 VAL MG1 . 13 VAL QG1 1 1
101 1 1 1 1 6 TYR CG . 6 TYR CG 1 1
101 1 2 1 1 13 VAL MG2 . 13 VAL QG2 1 1
102 1 1 1 1 6 TYR CG . 6 TYR CG 1 1
102 1 2 1 1 15 PHE H . 15 PHE HN 1 1
103 1 1 1 1 6 TYR CG . 6 TYR CG 1 1
103 1 2 1 1 15 PHE QB . 15 PHE HB2 1 1
104 1 1 1 1 6 TYR CG . 6 TYR CG 1 1
104 1 2 1 1 39 ILE HB . 39 ILE HB 1 1
105 1 1 1 1 6 TYR CZ . 6 TYR CZ 1 1
105 1 2 1 1 6 TYR H . 6 TYR HN 1 1
106 1 1 1 1 6 TYR CZ . 6 TYR CZ 1 1
106 1 2 1 1 13 VAL MG1 . 13 VAL QG1 1 1
107 1 1 1 1 6 TYR CZ . 6 TYR CZ 1 1
107 1 2 1 1 13 VAL MG2 . 13 VAL QG2 1 1
108 1 1 1 1 6 TYR CZ . 6 TYR CZ 1 1
108 1 2 1 1 15 PHE CZ . 15 PHE CZ 1 1
109 1 1 1 1 6 TYR CZ . 6 TYR CZ 1 1
109 1 2 1 1 15 PHE QB . 15 PHE HB3 1 1
110 1 1 1 1 6 TYR CZ . 6 TYR CZ 1 1
110 1 2 1 1 15 PHE HZ . 15 PHE HZ 1 1
111 1 1 1 1 6 TYR CZ . 6 TYR CZ 1 1
111 1 2 1 1 39 ILE H . 39 ILE HN 1 1
112 1 1 1 1 6 TYR CZ . 6 TYR CZ 1 1
112 1 2 1 1 39 ILE HB . 39 ILE HB 1 1
113 1 1 1 1 6 TYR CZ . 6 TYR CZ 1 1
113 1 2 1 1 39 ILE MD . 39 ILE QD1 1 1
114 1 1 1 1 6 TYR CZ . 6 TYR CZ 1 1
114 1 2 1 1 39 ILE HG12 . 39 ILE HG12 1 1
115 1 1 1 1 6 TYR CZ . 6 TYR CZ 1 1
115 1 2 1 1 39 ILE HG13 . 39 ILE HG13 1 1
116 1 1 1 1 6 TYR CZ . 6 TYR CZ 1 1
116 1 2 1 1 39 ILE MG . 39 ILE QG2 1 1
117 1 1 1 1 6 TYR H . 6 TYR HN 1 1
117 1 2 1 1 6 TYR QB . 6 TYR HB2 1 1
118 1 1 1 1 6 TYR H . 6 TYR HN 1 1
118 1 2 1 1 7 GLU H . 7 GLU- HN 1 1
119 1 1 1 1 6 TYR H . 6 TYR HN 1 1
119 1 2 1 1 12 ASN HA . 12 ASN HA 1 1
120 1 1 1 1 6 TYR H . 6 TYR HN 1 1
120 1 2 1 1 12 ASN HB2 . 12 ASN HB3 1 1
121 1 1 1 1 6 TYR H . 6 TYR HN 1 1
121 1 2 1 1 13 VAL H . 13 VAL HN 1 1
122 1 1 1 1 6 TYR H . 6 TYR HN 1 1
122 1 2 1 1 13 VAL HA . 13 VAL HA 1 1
123 1 1 1 1 6 TYR H . 6 TYR HN 1 1
123 1 2 1 1 13 VAL MG1 . 13 VAL QG1 1 1
124 1 1 1 1 6 TYR H . 6 TYR HN 1 1
124 1 2 1 1 13 VAL MG2 . 13 VAL QG2 1 1
125 1 1 1 1 6 TYR H . 6 TYR HN 1 1
125 1 2 1 1 14 THR H . 14 THR HN 1 1
126 1 1 1 1 6 TYR H . 6 TYR HN 1 1
126 1 2 1 1 14 THR HA . 14 THR HA 1 1
127 1 1 1 1 6 TYR H . 6 TYR HN 1 1
127 1 2 1 1 14 THR MG . 14 THR QG2 1 1
128 1 1 1 1 6 TYR H . 6 TYR HN 1 1
128 1 2 1 1 15 PHE H . 15 PHE HN 1 1
129 1 1 1 1 6 TYR HA . 6 TYR HA 1 1
129 1 2 1 1 7 GLU H . 7 GLU- HN 1 1
130 1 1 1 1 6 TYR QB . 6 TYR HB2 1 1
130 1 2 1 1 7 GLU H . 7 GLU- HN 1 1
131 1 1 1 1 6 TYR QB . 6 TYR HB2 1 1
131 1 2 1 1 8 ASN HD21 . 8 ASN HD21 1 1
132 1 1 1 1 6 TYR QB . 6 TYR HB2 1 1
132 1 2 1 1 8 ASN HD22 . 8 ASN HD22 1 1
133 1 1 1 1 6 TYR QB . 6 TYR HB3 1 1
133 1 2 1 1 12 ASN HB2 . 12 ASN HB3 1 1
134 1 1 1 1 6 TYR QB . 6 TYR HB2 1 1
134 1 2 1 1 13 VAL H . 13 VAL HN 1 1
135 1 1 1 1 6 TYR QB . 6 TYR HB2 1 1
135 1 2 1 1 13 VAL HA . 13 VAL HA 1 1
136 1 1 1 1 6 TYR QB . 6 TYR HB2 1 1
136 1 2 1 1 13 VAL HB . 13 VAL HB 1 1
137 1 1 1 1 6 TYR QB . 6 TYR HB3 1 1
137 1 2 1 1 39 ILE MG . 39 ILE QG2 1 1
138 1 1 1 1 7 GLU H . 7 GLU- HN 1 1
138 1 2 1 1 7 GLU HB2 . 7 GLU- HB2 1 1
139 1 1 1 1 7 GLU H . 7 GLU- HN 1 1
139 1 2 1 1 7 GLU HB3 . 7 GLU- HB3 1 1
140 1 1 1 1 7 GLU H . 7 GLU- HN 1 1
140 1 2 1 1 7 GLU HG2 . 7 GLU- HG2 1 1
141 1 1 1 1 7 GLU H . 7 GLU- HN 1 1
141 1 2 1 1 7 GLU HG3 . 7 GLU- HG3 1 1
142 1 1 1 1 7 GLU H . 7 GLU- HN 1 1
142 1 2 1 1 13 VAL H . 13 VAL HN 1 1
143 1 1 1 1 7 GLU HA . 7 GLU- HA 1 1
143 1 2 1 1 7 GLU HG2 . 7 GLU- HG2 1 1
144 1 1 1 1 7 GLU HA . 7 GLU- HA 1 1
144 1 2 1 1 8 ASN H . 8 ASN HN 1 1
145 1 1 1 1 7 GLU HA . 7 GLU- HA 1 1
145 1 2 1 1 8 ASN HD21 . 8 ASN HD21 1 1
146 1 1 1 1 7 GLU HA . 7 GLU- HA 1 1
146 1 2 1 1 8 ASN HD22 . 8 ASN HD22 1 1
147 1 1 1 1 7 GLU HA . 7 GLU- HA 1 1
147 1 2 1 1 12 ASN HA . 12 ASN HA 1 1
148 1 1 1 1 7 GLU HA . 7 GLU- HA 1 1
148 1 2 1 1 12 ASN HB2 . 12 ASN HB3 1 1
149 1 1 1 1 7 GLU HA . 7 GLU- HA 1 1
149 1 2 1 1 12 ASN HD21 . 12 ASN HD21 1 1
150 1 1 1 1 7 GLU HA . 7 GLU- HA 1 1
150 1 2 1 1 12 ASN HD22 . 12 ASN HD22 1 1
151 1 1 1 1 7 GLU HA . 7 GLU- HA 1 1
151 1 2 1 1 13 VAL H . 13 VAL HN 1 1
152 1 1 1 1 7 GLU HB2 . 7 GLU- HB2 1 1
152 1 2 1 1 7 GLU HG2 . 7 GLU- HG2 1 1
153 1 1 1 1 7 GLU HB2 . 7 GLU- HB2 1 1
153 1 2 1 1 8 ASN H . 8 ASN HN 1 1
154 1 1 1 1 7 GLU HB3 . 7 GLU- HB3 1 1
154 1 2 1 1 7 GLU HG2 . 7 GLU- HG2 1 1
155 1 1 1 1 7 GLU HB3 . 7 GLU- HB3 1 1
155 1 2 1 1 8 ASN H . 8 ASN HN 1 1
156 1 1 1 1 7 GLU HG2 . 7 GLU- HG2 1 1
156 1 2 1 1 12 ASN HD21 . 12 ASN HD21 1 1
157 1 1 1 1 7 GLU HG2 . 7 GLU- HG2 1 1
157 1 2 1 1 12 ASN HD22 . 12 ASN HD22 1 1
158 1 1 1 1 7 GLU HG3 . 7 GLU- HG3 1 1
158 1 2 1 1 12 ASN HD22 . 12 ASN HD22 1 1
159 1 1 1 1 8 ASN H . 8 ASN HN 1 1
159 1 2 1 1 8 ASN HD21 . 8 ASN HD21 1 1
160 1 1 1 1 8 ASN H . 8 ASN HN 1 1
160 1 2 1 1 8 ASN HD22 . 8 ASN HD22 1 1
161 1 1 1 1 8 ASN H . 8 ASN HN 1 1
161 1 2 1 1 10 ALA H . 10 ALA HN 1 1
162 1 1 1 1 8 ASN H . 8 ASN HN 1 1
162 1 2 1 1 11 GLY H . 11 GLY HN 1 1
163 1 1 1 1 8 ASN H . 8 ASN HN 1 1
163 1 2 1 1 12 ASN H . 12 ASN HN 1 1
164 1 1 1 1 8 ASN H . 8 ASN HN 1 1
164 1 2 1 1 12 ASN HA . 12 ASN HA 1 1
165 1 1 1 1 8 ASN H . 8 ASN HN 1 1
165 1 2 1 1 13 VAL H . 13 VAL HN 1 1
166 1 1 1 1 8 ASN HA . 8 ASN HA 1 1
166 1 2 1 1 8 ASN HB2 . 8 ASN HB3 1 1
167 1 1 1 1 8 ASN HA . 8 ASN HA 1 1
167 1 2 1 1 9 ALA H . 9 ALA HN 1 1
168 1 1 1 1 8 ASN HA . 8 ASN HA 1 1
168 1 2 1 1 9 ALA MB . 9 ALA QB 1 1
169 1 1 1 1 8 ASN HB2 . 8 ASN HB3 1 1
169 1 2 1 1 8 ASN HD21 . 8 ASN HD21 1 1
170 1 1 1 1 8 ASN HB2 . 8 ASN HB3 1 1
170 1 2 1 1 9 ALA H . 9 ALA HN 1 1
171 1 1 1 1 8 ASN HB2 . 8 ASN HB3 1 1
171 1 2 1 1 10 ALA H . 10 ALA HN 1 1
172 1 1 1 1 8 ASN HB2 . 8 ASN HB3 1 1
172 1 2 1 1 11 GLY H . 11 GLY HN 1 1
173 1 1 1 1 8 ASN HB3 . 8 ASN HB2 1 1
173 1 2 1 1 8 ASN HD22 . 8 ASN HD22 1 1
174 1 1 1 1 8 ASN HB3 . 8 ASN HB2 1 1
174 1 2 1 1 9 ALA H . 9 ALA HN 1 1
175 1 1 1 1 8 ASN HB3 . 8 ASN HB2 1 1
175 1 2 1 1 10 ALA H . 10 ALA HN 1 1
176 1 1 1 1 8 ASN HD21 . 8 ASN HD21 1 1
176 1 2 1 1 11 GLY H . 11 GLY HN 1 1
177 1 1 1 1 8 ASN HD21 . 8 ASN HD21 1 1
177 1 2 1 1 12 ASN HA . 12 ASN HA 1 1
178 1 1 1 1 8 ASN HD21 . 8 ASN HD21 1 1
178 1 2 1 1 13 VAL H . 13 VAL HN 1 1
179 1 1 1 1 8 ASN HD21 . 8 ASN HD21 1 1
179 1 2 1 1 13 VAL HB . 13 VAL HB 1 1
180 1 1 1 1 8 ASN HD21 . 8 ASN HD21 1 1
180 1 2 1 1 13 VAL MG1 . 13 VAL QG1 1 1
181 1 1 1 1 8 ASN HD22 . 8 ASN HD22 1 1
181 1 2 1 1 11 GLY H . 11 GLY HN 1 1
182 1 1 1 1 8 ASN HD22 . 8 ASN HD22 1 1
182 1 2 1 1 12 ASN HA . 12 ASN HA 1 1
183 1 1 1 1 8 ASN HD22 . 8 ASN HD22 1 1
183 1 2 1 1 13 VAL H . 13 VAL HN 1 1
184 1 1 1 1 8 ASN HD22 . 8 ASN HD22 1 1
184 1 2 1 1 13 VAL HB . 13 VAL HB 1 1
185 1 1 1 1 8 ASN HD22 . 8 ASN HD22 1 1
185 1 2 1 1 13 VAL MG1 . 13 VAL QG1 1 1
186 1 1 1 1 9 ALA H . 9 ALA HN 1 1
186 1 2 1 1 9 ALA MB . 9 ALA QB 1 1
187 1 1 1 1 9 ALA H . 9 ALA HN 1 1
187 1 2 1 1 10 ALA H . 10 ALA HN 1 1
188 1 1 1 1 9 ALA H . 9 ALA HN 1 1
188 1 2 1 1 11 GLY H . 11 GLY HN 1 1
189 1 1 1 1 9 ALA HA . 9 ALA HA 1 1
189 1 2 1 1 10 ALA H . 10 ALA HN 1 1
190 1 1 1 1 9 ALA HA . 9 ALA HA 1 1
190 1 2 1 1 11 GLY H . 11 GLY HN 1 1
191 1 1 1 1 9 ALA MB . 9 ALA QB 1 1
191 1 2 1 1 10 ALA H . 10 ALA HN 1 1
192 1 1 1 1 9 ALA MB . 9 ALA QB 1 1
192 1 2 1 1 11 GLY H . 11 GLY HN 1 1
193 1 1 1 1 10 ALA H . 10 ALA HN 1 1
193 1 2 1 1 11 GLY H . 11 GLY HN 1 1
194 1 1 1 1 10 ALA H . 10 ALA HN 1 1
194 1 2 1 1 11 GLY QA . 11 GLY HA1 1 1
195 1 1 1 1 10 ALA MB . 10 ALA QB 1 1
195 1 2 1 1 11 GLY H . 11 GLY HN 1 1
196 1 1 1 1 11 GLY H . 11 GLY HN 1 1
196 1 2 1 1 12 ASN H . 12 ASN HN 1 1
197 1 1 1 1 11 GLY QA . 11 GLY HA1 1 1
197 1 2 1 1 12 ASN H . 12 ASN HN 1 1
198 1 1 1 1 11 GLY QA . 11 GLY HA1 1 1
198 1 2 1 1 12 ASN HA . 12 ASN HA 1 1
199 1 1 1 1 11 GLY QA . 11 GLY HA1 1 1
199 1 2 1 1 67 ILE H . 67 ILE HN 1 1
200 1 1 1 1 11 GLY QA . 11 GLY HA1 1 1
200 1 2 1 1 67 ILE HG12 . 67 ILE HG12 1 1
201 1 1 1 1 11 GLY QA . 11 GLY HA2 1 1
201 1 2 1 1 68 LYS HA . 68 LYS+ HA 1 1
202 1 1 1 1 11 GLY QA . 11 GLY HA2 1 1
202 1 2 1 1 68 LYS HB2 . 68 LYS+ HB2 1 1
203 1 1 1 1 12 ASN H . 12 ASN HN 1 1
203 1 2 1 1 12 ASN HB2 . 12 ASN HB3 1 1
204 1 1 1 1 12 ASN H . 12 ASN HN 1 1
204 1 2 1 1 12 ASN HB3 . 12 ASN HB2 1 1
205 1 1 1 1 12 ASN H . 12 ASN HN 1 1
205 1 2 1 1 12 ASN HD21 . 12 ASN HD21 1 1
206 1 1 1 1 12 ASN H . 12 ASN HN 1 1
206 1 2 1 1 12 ASN HD22 . 12 ASN HD22 1 1
207 1 1 1 1 12 ASN H . 12 ASN HN 1 1
207 1 2 1 1 13 VAL H . 13 VAL HN 1 1
208 1 1 1 1 12 ASN HA . 12 ASN HA 1 1
208 1 2 1 1 12 ASN HD21 . 12 ASN HD21 1 1
209 1 1 1 1 12 ASN HA . 12 ASN HA 1 1
209 1 2 1 1 13 VAL H . 13 VAL HN 1 1
210 1 1 1 1 12 ASN HA . 12 ASN HA 1 1
210 1 2 1 1 13 VAL MG1 . 13 VAL QG1 1 1
211 1 1 1 1 12 ASN HB2 . 12 ASN HB3 1 1
211 1 2 1 1 13 VAL H . 13 VAL HN 1 1
212 1 1 1 1 12 ASN HB3 . 12 ASN HB2 1 1
212 1 2 1 1 12 ASN HD21 . 12 ASN HD21 1 1
213 1 1 1 1 12 ASN HB3 . 12 ASN HB2 1 1
213 1 2 1 1 12 ASN HD22 . 12 ASN HD22 1 1
214 1 1 1 1 12 ASN HB3 . 12 ASN HB2 1 1
214 1 2 1 1 13 VAL H . 13 VAL HN 1 1
215 1 1 1 1 12 ASN HD21 . 12 ASN HD21 1 1
215 1 2 1 1 13 VAL H . 13 VAL HN 1 1
216 1 1 1 1 13 VAL H . 13 VAL HN 1 1
216 1 2 1 1 13 VAL HB . 13 VAL HB 1 1
217 1 1 1 1 13 VAL H . 13 VAL HN 1 1
217 1 2 1 1 13 VAL MG1 . 13 VAL QG1 1 1
218 1 1 1 1 13 VAL H . 13 VAL HN 1 1
218 1 2 1 1 14 THR H . 14 THR HN 1 1
219 1 1 1 1 13 VAL H . 13 VAL HN 1 1
219 1 2 1 1 67 ILE H . 67 ILE HN 1 1
220 1 1 1 1 13 VAL HA . 13 VAL HA 1 1
220 1 2 1 1 14 THR H . 14 THR HN 1 1
221 1 1 1 1 13 VAL HA . 13 VAL HA 1 1
221 1 2 1 1 14 THR HA . 14 THR HA 1 1
222 1 1 1 1 13 VAL HA . 13 VAL HA 1 1
222 1 2 1 1 14 THR HB . 14 THR HB 1 1
223 1 1 1 1 13 VAL HA . 13 VAL HA 1 1
223 1 2 1 1 67 ILE H . 67 ILE HN 1 1
224 1 1 1 1 13 VAL HB . 13 VAL HB 1 1
224 1 2 1 1 67 ILE H . 67 ILE HN 1 1
225 1 1 1 1 13 VAL MG1 . 13 VAL QG1 1 1
225 1 2 1 1 14 THR H . 14 THR HN 1 1
226 1 1 1 1 13 VAL MG1 . 13 VAL QG1 1 1
226 1 2 1 1 15 PHE CZ . 15 PHE CZ 1 1
227 1 1 1 1 13 VAL MG2 . 13 VAL QG2 1 1
227 1 2 1 1 14 THR H . 14 THR HN 1 1
228 1 1 1 1 13 VAL MG2 . 13 VAL QG2 1 1
228 1 2 1 1 15 PHE CG . 15 PHE CG 1 1
229 1 1 1 1 13 VAL MG2 . 13 VAL QG2 1 1
229 1 2 1 1 15 PHE CZ . 15 PHE CZ 1 1
230 1 1 1 1 13 VAL MG2 . 13 VAL QG2 1 1
230 1 2 1 1 15 PHE H . 15 PHE HN 1 1
231 1 1 1 1 13 VAL MG2 . 13 VAL QG2 1 1
231 1 2 1 1 65 CYS HA . 65 CYSS HA 1 1
232 1 1 1 1 13 VAL MG2 . 13 VAL QG2 1 1
232 1 2 1 1 65 CYS HB2 . 65 CYSS HB2 1 1
233 1 1 1 1 13 VAL MG2 . 13 VAL QG2 1 1
233 1 2 1 1 65 CYS HB3 . 65 CYSS HB3 1 1
234 1 1 1 1 14 THR H . 14 THR HN 1 1
234 1 2 1 1 14 THR HB . 14 THR HB 1 1
235 1 1 1 1 14 THR H . 14 THR HN 1 1
235 1 2 1 1 15 PHE H . 15 PHE HN 1 1
236 1 1 1 1 14 THR HA . 14 THR HA 1 1
236 1 2 1 1 15 PHE H . 15 PHE HN 1 1
237 1 1 1 1 14 THR HA . 14 THR HA 1 1
237 1 2 1 1 15 PHE QB . 15 PHE HB2 1 1
238 1 1 1 1 14 THR HB . 14 THR HB 1 1
238 1 2 1 1 15 PHE H . 15 PHE HN 1 1
239 1 1 1 1 14 THR MG . 14 THR QG2 1 1
239 1 2 1 1 15 PHE H . 15 PHE HN 1 1
240 1 1 1 1 14 THR MG . 14 THR QG2 1 1
240 1 2 1 1 16 ASP HA . 16 ASP- HA 1 1
241 1 1 1 1 14 THR MG . 14 THR QG2 1 1
241 1 2 1 1 16 ASP HB2 . 16 ASP- HB3 1 1
242 1 1 1 1 15 PHE CG . 15 PHE CG 1 1
242 1 2 1 1 39 ILE HB . 39 ILE HB 1 1
243 1 1 1 1 15 PHE CG . 15 PHE CG 1 1
243 1 2 1 1 39 ILE MD . 39 ILE QD1 1 1
244 1 1 1 1 15 PHE CG . 15 PHE CG 1 1
244 1 2 1 1 39 ILE HG12 . 39 ILE HG12 1 1
245 1 1 1 1 15 PHE CG . 15 PHE CG 1 1
245 1 2 1 1 39 ILE HG13 . 39 ILE HG13 1 1
246 1 1 1 1 15 PHE CG . 15 PHE CG 1 1
246 1 2 1 1 39 ILE MG . 39 ILE QG2 1 1
247 1 1 1 1 15 PHE CZ . 15 PHE CZ 1 1
247 1 2 1 1 39 ILE MG . 39 ILE QG2 1 1
248 1 1 1 1 15 PHE H . 15 PHE HN 1 1
248 1 2 1 1 15 PHE QB . 15 PHE HB2 1 1
249 1 1 1 1 15 PHE H . 15 PHE HN 1 1
249 1 2 1 1 16 ASP H . 16 ASP- HN 1 1
250 1 1 1 1 15 PHE HA . 15 PHE HA 1 1
250 1 2 1 1 16 ASP H . 16 ASP- HN 1 1
251 1 1 1 1 15 PHE HA . 15 PHE HA 1 1
251 1 2 1 1 16 ASP HB2 . 16 ASP- HB3 1 1
252 1 1 1 1 15 PHE HZ . 15 PHE HZ 1 1
252 1 2 1 1 39 ILE MG . 39 ILE QG2 1 1
253 1 1 1 1 16 ASP H . 16 ASP- HN 1 1
253 1 2 1 1 16 ASP HB2 . 16 ASP- HB3 1 1
254 1 1 1 1 16 ASP H . 16 ASP- HN 1 1
254 1 2 1 1 17 HIS H . 17 HIS HN 1 1
255 1 1 1 1 16 ASP HA . 16 ASP- HA 1 1
255 1 2 1 1 17 HIS H . 17 HIS HN 1 1
256 1 1 1 1 16 ASP HA . 16 ASP- HA 1 1
256 1 2 1 1 17 HIS HA . 17 HIS HA 1 1
257 1 1 1 1 16 ASP HA . 16 ASP- HA 1 1
257 1 2 1 1 17 HIS HB2 . 17 HIS HB2 1 1
258 1 1 1 1 16 ASP HA . 16 ASP- HA 1 1
258 1 2 1 1 18 LYS H . 18 LYS+ HN 1 1
259 1 1 1 1 16 ASP HA . 16 ASP- HA 1 1
259 1 2 1 1 19 ALA H . 19 ALA HN 1 1
260 1 1 1 1 16 ASP HB2 . 16 ASP- HB3 1 1
260 1 2 1 1 17 HIS H . 17 HIS HN 1 1
261 1 1 1 1 16 ASP HB2 . 16 ASP- HB3 1 1
261 1 2 1 1 19 ALA H . 19 ALA HN 1 1
262 1 1 1 1 16 ASP HB2 . 16 ASP- HB3 1 1
262 1 2 1 1 19 ALA MB . 19 ALA QB 1 1
263 1 1 1 1 16 ASP HB3 . 16 ASP- HB2 1 1
263 1 2 1 1 17 HIS H . 17 HIS HN 1 1
264 1 1 1 1 16 ASP HB3 . 16 ASP- HB2 1 1
264 1 2 1 1 19 ALA H . 19 ALA HN 1 1
265 1 1 1 1 16 ASP HB3 . 16 ASP- HB2 1 1
265 1 2 1 1 19 ALA MB . 19 ALA QB 1 1
266 1 1 1 1 17 HIS H . 17 HIS HN 1 1
266 1 2 1 1 17 HIS HB2 . 17 HIS HB2 1 1
267 1 1 1 1 17 HIS H . 17 HIS HN 1 1
267 1 2 1 1 17 HIS HB3 . 17 HIS HB3 1 1
268 1 1 1 1 17 HIS H . 17 HIS HN 1 1
268 1 2 1 1 18 LYS H . 18 LYS+ HN 1 1
269 1 1 1 1 17 HIS H . 17 HIS HN 1 1
269 1 2 1 1 18 LYS HB2 . 18 LYS+ HB2 1 1
270 1 1 1 1 17 HIS H . 17 HIS HN 1 1
270 1 2 1 1 19 ALA H . 19 ALA HN 1 1
271 1 1 1 1 17 HIS HA . 17 HIS HA 1 1
271 1 2 1 1 18 LYS H . 18 LYS+ HN 1 1
272 1 1 1 1 17 HIS HA . 17 HIS HA 1 1
272 1 2 1 1 19 ALA H . 19 ALA HN 1 1
273 1 1 1 1 17 HIS HA . 17 HIS HA 1 1
273 1 2 1 1 20 HIS H . 20 HIS HN 1 1
274 1 1 1 1 17 HIS HA . 17 HIS HA 1 1
274 1 2 1 1 20 HIS HB2 . 20 HIS HB2 1 1
275 1 1 1 1 17 HIS HA . 17 HIS HA 1 1
275 1 2 1 1 21 ALA H . 21 ALA HN 1 1
276 1 1 1 1 17 HIS HB2 . 17 HIS HB2 1 1
276 1 2 1 1 18 LYS H . 18 LYS+ HN 1 1
277 1 1 1 1 18 LYS H . 18 LYS+ HN 1 1
277 1 2 1 1 18 LYS HB2 . 18 LYS+ HB2 1 1
278 1 1 1 1 18 LYS H . 18 LYS+ HN 1 1
278 1 2 1 1 18 LYS HB3 . 18 LYS+ HB3 1 1
279 1 1 1 1 18 LYS H . 18 LYS+ HN 1 1
279 1 2 1 1 18 LYS HG2 . 18 LYS+ HG2 1 1
280 1 1 1 1 18 LYS H . 18 LYS+ HN 1 1
280 1 2 1 1 18 LYS HG3 . 18 LYS+ HG3 1 1
281 1 1 1 1 18 LYS H . 18 LYS+ HN 1 1
281 1 2 1 1 19 ALA H . 19 ALA HN 1 1
282 1 1 1 1 18 LYS H . 18 LYS+ HN 1 1
282 1 2 1 1 19 ALA HA . 19 ALA HA 1 1
283 1 1 1 1 18 LYS H . 18 LYS+ HN 1 1
283 1 2 1 1 19 ALA MB . 19 ALA QB 1 1
284 1 1 1 1 18 LYS H . 18 LYS+ HN 1 1
284 1 2 1 1 20 HIS H . 20 HIS HN 1 1
285 1 1 1 1 18 LYS H . 18 LYS+ HN 1 1
285 1 2 1 1 21 ALA H . 21 ALA HN 1 1
286 1 1 1 1 18 LYS H . 18 LYS+ HN 1 1
286 1 2 1 1 21 ALA MB . 21 ALA QB 1 1
287 1 1 1 1 18 LYS H . 18 LYS+ HN 1 1
287 1 2 1 1 22 GLU HG2 . 22 GLU- HG3 1 1
288 1 1 1 1 18 LYS HA . 18 LYS+ HA 1 1
288 1 2 1 1 18 LYS HG2 . 18 LYS+ HG2 1 1
289 1 1 1 1 18 LYS HA . 18 LYS+ HA 1 1
289 1 2 1 1 18 LYS HG3 . 18 LYS+ HG3 1 1
290 1 1 1 1 18 LYS HA . 18 LYS+ HA 1 1
290 1 2 1 1 19 ALA H . 19 ALA HN 1 1
291 1 1 1 1 18 LYS HA . 18 LYS+ HA 1 1
291 1 2 1 1 20 HIS H . 20 HIS HN 1 1
292 1 1 1 1 18 LYS HA . 18 LYS+ HA 1 1
292 1 2 1 1 21 ALA H . 21 ALA HN 1 1
293 1 1 1 1 18 LYS HA . 18 LYS+ HA 1 1
293 1 2 1 1 21 ALA MB . 21 ALA QB 1 1
294 1 1 1 1 18 LYS HA . 18 LYS+ HA 1 1
294 1 2 1 1 22 GLU H . 22 GLU- HN 1 1
295 1 1 1 1 18 LYS HB2 . 18 LYS+ HB2 1 1
295 1 2 1 1 19 ALA H . 19 ALA HN 1 1
296 1 1 1 1 18 LYS HB3 . 18 LYS+ HB3 1 1
296 1 2 1 1 18 LYS HG2 . 18 LYS+ HG2 1 1
297 1 1 1 1 18 LYS HB3 . 18 LYS+ HB3 1 1
297 1 2 1 1 19 ALA H . 19 ALA HN 1 1
298 1 1 1 1 18 LYS HB3 . 18 LYS+ HB3 1 1
298 1 2 1 1 19 ALA MB . 19 ALA QB 1 1
299 1 1 1 1 18 LYS QD . 18 LYS+ QD 1 1
299 1 2 1 1 19 ALA H . 19 ALA HN 1 1
300 1 1 1 1 18 LYS QE . 18 LYS+ QE 1 1
300 1 2 1 1 22 GLU HG2 . 22 GLU- HG3 1 1
301 1 1 1 1 18 LYS HG2 . 18 LYS+ HG2 1 1
301 1 2 1 1 19 ALA H . 19 ALA HN 1 1
302 1 1 1 1 18 LYS HG3 . 18 LYS+ HG3 1 1
302 1 2 1 1 19 ALA H . 19 ALA HN 1 1
303 1 1 1 1 19 ALA H . 19 ALA HN 1 1
303 1 2 1 1 19 ALA MB . 19 ALA QB 1 1
304 1 1 1 1 19 ALA H . 19 ALA HN 1 1
304 1 2 1 1 20 HIS H . 20 HIS HN 1 1
305 1 1 1 1 19 ALA H . 19 ALA HN 1 1
305 1 2 1 1 20 HIS HA . 20 HIS HA 1 1
306 1 1 1 1 19 ALA H . 19 ALA HN 1 1
306 1 2 1 1 20 HIS HB2 . 20 HIS HB2 1 1
307 1 1 1 1 19 ALA H . 19 ALA HN 1 1
307 1 2 1 1 21 ALA H . 21 ALA HN 1 1
308 1 1 1 1 19 ALA H . 19 ALA HN 1 1
308 1 2 1 1 22 GLU H . 22 GLU- HN 1 1
309 1 1 1 1 19 ALA HA . 19 ALA HA 1 1
309 1 2 1 1 20 HIS H . 20 HIS HN 1 1
310 1 1 1 1 19 ALA HA . 19 ALA HA 1 1
310 1 2 1 1 21 ALA H . 21 ALA HN 1 1
311 1 1 1 1 19 ALA HA . 19 ALA HA 1 1
311 1 2 1 1 22 GLU H . 22 GLU- HN 1 1
312 1 1 1 1 19 ALA HA . 19 ALA HA 1 1
312 1 2 1 1 22 GLU HB2 . 22 GLU- HB2 1 1
313 1 1 1 1 19 ALA HA . 19 ALA HA 1 1
313 1 2 1 1 22 GLU HB3 . 22 GLU- HB3 1 1
314 1 1 1 1 19 ALA HA . 19 ALA HA 1 1
314 1 2 1 1 22 GLU HG2 . 22 GLU- HG3 1 1
315 1 1 1 1 19 ALA HA . 19 ALA HA 1 1
315 1 2 1 1 22 GLU HG3 . 22 GLU- HG2 1 1
316 1 1 1 1 19 ALA HA . 19 ALA HA 1 1
316 1 2 1 1 23 LYS H . 23 LYS+ HN 1 1
317 1 1 1 1 19 ALA MB . 19 ALA QB 1 1
317 1 2 1 1 20 HIS H . 20 HIS HN 1 1
318 1 1 1 1 19 ALA MB . 19 ALA QB 1 1
318 1 2 1 1 20 HIS HB2 . 20 HIS HB2 1 1
319 1 1 1 1 19 ALA MB . 19 ALA QB 1 1
319 1 2 1 1 20 HIS HB3 . 20 HIS HB3 1 1
320 1 1 1 1 20 HIS H . 20 HIS HN 1 1
320 1 2 1 1 20 HIS HB2 . 20 HIS HB2 1 1
321 1 1 1 1 20 HIS H . 20 HIS HN 1 1
321 1 2 1 1 21 ALA H . 21 ALA HN 1 1
322 1 1 1 1 20 HIS H . 20 HIS HN 1 1
322 1 2 1 1 21 ALA MB . 21 ALA QB 1 1
323 1 1 1 1 20 HIS H . 20 HIS HN 1 1
323 1 2 1 1 22 GLU H . 22 GLU- HN 1 1
324 1 1 1 1 20 HIS H . 20 HIS HN 1 1
324 1 2 1 1 22 GLU HB2 . 22 GLU- HB2 1 1
325 1 1 1 1 20 HIS HA . 20 HIS HA 1 1
325 1 2 1 1 21 ALA H . 21 ALA HN 1 1
326 1 1 1 1 20 HIS HA . 20 HIS HA 1 1
326 1 2 1 1 22 GLU H . 22 GLU- HN 1 1
327 1 1 1 1 20 HIS HA . 20 HIS HA 1 1
327 1 2 1 1 23 LYS H . 23 LYS+ HN 1 1
328 1 1 1 1 20 HIS HA . 20 HIS HA 1 1
328 1 2 1 1 23 LYS HB2 . 23 LYS+ HB2 1 1
329 1 1 1 1 20 HIS HA . 20 HIS HA 1 1
329 1 2 1 1 23 LYS HD2 . 23 LYS+ HD3 1 1
330 1 1 1 1 20 HIS HA . 20 HIS HA 1 1
330 1 2 1 1 23 LYS HG3 . 23 LYS+ HG3 1 1
331 1 1 1 1 20 HIS HA . 20 HIS HA 1 1
331 1 2 1 1 24 LEU H . 24 LEU HN 1 1
332 1 1 1 1 20 HIS HA . 20 HIS HA 1 1
332 1 2 1 1 24 LEU MD2 . 24 LEU QD2 1 1
333 1 1 1 1 20 HIS HB2 . 20 HIS HB2 1 1
333 1 2 1 1 21 ALA H . 21 ALA HN 1 1
334 1 1 1 1 20 HIS HB2 . 20 HIS HB2 1 1
334 1 2 1 1 21 ALA MB . 21 ALA QB 1 1
335 1 1 1 1 20 HIS HB3 . 20 HIS HB3 1 1
335 1 2 1 1 21 ALA H . 21 ALA HN 1 1
336 1 1 1 1 20 HIS HB3 . 20 HIS HB3 1 1
336 1 2 1 1 24 LEU MD2 . 24 LEU QD2 1 1
337 1 1 1 1 21 ALA H . 21 ALA HN 1 1
337 1 2 1 1 21 ALA MB . 21 ALA QB 1 1
338 1 1 1 1 21 ALA H . 21 ALA HN 1 1
338 1 2 1 1 22 GLU H . 22 GLU- HN 1 1
339 1 1 1 1 21 ALA H . 21 ALA HN 1 1
339 1 2 1 1 22 GLU HA . 22 GLU- HA 1 1
340 1 1 1 1 21 ALA H . 21 ALA HN 1 1
340 1 2 1 1 23 LYS H . 23 LYS+ HN 1 1
341 1 1 1 1 21 ALA H . 21 ALA HN 1 1
341 1 2 1 1 23 LYS HB2 . 23 LYS+ HB2 1 1
342 1 1 1 1 21 ALA HA . 21 ALA HA 1 1
342 1 2 1 1 22 GLU H . 22 GLU- HN 1 1
343 1 1 1 1 21 ALA HA . 21 ALA HA 1 1
343 1 2 1 1 23 LYS H . 23 LYS+ HN 1 1
344 1 1 1 1 21 ALA HA . 21 ALA HA 1 1
344 1 2 1 1 24 LEU H . 24 LEU HN 1 1
345 1 1 1 1 21 ALA HA . 21 ALA HA 1 1
345 1 2 1 1 24 LEU HB2 . 24 LEU HB2 1 1
346 1 1 1 1 21 ALA HA . 21 ALA HA 1 1
346 1 2 1 1 25 GLY H . 25 GLY HN 1 1
347 1 1 1 1 21 ALA HA . 21 ALA HA 1 1
347 1 2 1 1 26 CYS HA . 26 CYSS HA 1 1
348 1 1 1 1 21 ALA MB . 21 ALA QB 1 1
348 1 2 1 1 22 GLU H . 22 GLU- HN 1 1
349 1 1 1 1 21 ALA MB . 21 ALA QB 1 1
349 1 2 1 1 22 GLU HA . 22 GLU- HA 1 1
350 1 1 1 1 21 ALA MB . 21 ALA QB 1 1
350 1 2 1 1 22 GLU HB2 . 22 GLU- HB2 1 1
351 1 1 1 1 21 ALA MB . 21 ALA QB 1 1
351 1 2 1 1 22 GLU HB3 . 22 GLU- HB3 1 1
352 1 1 1 1 21 ALA MB . 21 ALA QB 1 1
352 1 2 1 1 22 GLU HG2 . 22 GLU- HG3 1 1
353 1 1 1 1 21 ALA MB . 21 ALA QB 1 1
353 1 2 1 1 22 GLU HG3 . 22 GLU- HG2 1 1
354 1 1 1 1 21 ALA MB . 21 ALA QB 1 1
354 1 2 1 1 23 LYS H . 23 LYS+ HN 1 1
355 1 1 1 1 21 ALA MB . 21 ALA QB 1 1
355 1 2 1 1 25 GLY H . 25 GLY HN 1 1
356 1 1 1 1 21 ALA MB . 21 ALA QB 1 1
356 1 2 1 1 26 CYS H . 26 CYSS HN 1 1
357 1 1 1 1 21 ALA MB . 21 ALA QB 1 1
357 1 2 1 1 26 CYS HA . 26 CYSS HA 1 1
358 1 1 1 1 22 GLU H . 22 GLU- HN 1 1
358 1 2 1 1 22 GLU HB2 . 22 GLU- HB2 1 1
359 1 1 1 1 22 GLU H . 22 GLU- HN 1 1
359 1 2 1 1 22 GLU HB3 . 22 GLU- HB3 1 1
360 1 1 1 1 22 GLU H . 22 GLU- HN 1 1
360 1 2 1 1 22 GLU HG2 . 22 GLU- HG3 1 1
361 1 1 1 1 22 GLU H . 22 GLU- HN 1 1
361 1 2 1 1 22 GLU HG3 . 22 GLU- HG2 1 1
362 1 1 1 1 22 GLU H . 22 GLU- HN 1 1
362 1 2 1 1 23 LYS H . 23 LYS+ HN 1 1
363 1 1 1 1 22 GLU H . 22 GLU- HN 1 1
363 1 2 1 1 24 LEU H . 24 LEU HN 1 1
364 1 1 1 1 22 GLU HA . 22 GLU- HA 1 1
364 1 2 1 1 22 GLU HG2 . 22 GLU- HG3 1 1
365 1 1 1 1 22 GLU HA . 22 GLU- HA 1 1
365 1 2 1 1 23 LYS H . 23 LYS+ HN 1 1
366 1 1 1 1 22 GLU HA . 22 GLU- HA 1 1
366 1 2 1 1 24 LEU H . 24 LEU HN 1 1
367 1 1 1 1 22 GLU HB2 . 22 GLU- HB2 1 1
367 1 2 1 1 22 GLU HG2 . 22 GLU- HG3 1 1
368 1 1 1 1 22 GLU HB2 . 22 GLU- HB2 1 1
368 1 2 1 1 22 GLU HG3 . 22 GLU- HG2 1 1
369 1 1 1 1 22 GLU HB2 . 22 GLU- HB2 1 1
369 1 2 1 1 23 LYS H . 23 LYS+ HN 1 1
370 1 1 1 1 22 GLU HB3 . 22 GLU- HB3 1 1
370 1 2 1 1 23 LYS H . 23 LYS+ HN 1 1
371 1 1 1 1 22 GLU HG3 . 22 GLU- HG2 1 1
371 1 2 1 1 23 LYS H . 23 LYS+ HN 1 1
372 1 1 1 1 23 LYS H . 23 LYS+ HN 1 1
372 1 2 1 1 23 LYS HB2 . 23 LYS+ HB2 1 1
373 1 1 1 1 23 LYS H . 23 LYS+ HN 1 1
373 1 2 1 1 23 LYS HB3 . 23 LYS+ HB3 1 1
374 1 1 1 1 23 LYS H . 23 LYS+ HN 1 1
374 1 2 1 1 23 LYS HD2 . 23 LYS+ HD3 1 1
375 1 1 1 1 23 LYS H . 23 LYS+ HN 1 1
375 1 2 1 1 23 LYS HG2 . 23 LYS+ HG2 1 1
376 1 1 1 1 23 LYS H . 23 LYS+ HN 1 1
376 1 2 1 1 23 LYS HG3 . 23 LYS+ HG3 1 1
377 1 1 1 1 23 LYS H . 23 LYS+ HN 1 1
377 1 2 1 1 24 LEU H . 24 LEU HN 1 1
378 1 1 1 1 23 LYS H . 23 LYS+ HN 1 1
378 1 2 1 1 24 LEU HA . 24 LEU HA 1 1
379 1 1 1 1 23 LYS H . 23 LYS+ HN 1 1
379 1 2 1 1 24 LEU HB2 . 24 LEU HB2 1 1
380 1 1 1 1 23 LYS H . 23 LYS+ HN 1 1
380 1 2 1 1 24 LEU MD2 . 24 LEU QD2 1 1
381 1 1 1 1 23 LYS H . 23 LYS+ HN 1 1
381 1 2 1 1 25 GLY H . 25 GLY HN 1 1
382 1 1 1 1 23 LYS HA . 23 LYS+ HA 1 1
382 1 2 1 1 23 LYS HD2 . 23 LYS+ HD3 1 1
383 1 1 1 1 23 LYS HA . 23 LYS+ HA 1 1
383 1 2 1 1 23 LYS HD3 . 23 LYS+ HD2 1 1
384 1 1 1 1 23 LYS HA . 23 LYS+ HA 1 1
384 1 2 1 1 23 LYS HG2 . 23 LYS+ HG2 1 1
385 1 1 1 1 23 LYS HA . 23 LYS+ HA 1 1
385 1 2 1 1 23 LYS HG3 . 23 LYS+ HG3 1 1
386 1 1 1 1 23 LYS HA . 23 LYS+ HA 1 1
386 1 2 1 1 24 LEU H . 24 LEU HN 1 1
387 1 1 1 1 23 LYS HB2 . 23 LYS+ HB2 1 1
387 1 2 1 1 23 LYS HD2 . 23 LYS+ HD3 1 1
388 1 1 1 1 23 LYS HB2 . 23 LYS+ HB2 1 1
388 1 2 1 1 24 LEU H . 24 LEU HN 1 1
389 1 1 1 1 23 LYS HB2 . 23 LYS+ HB2 1 1
389 1 2 1 1 24 LEU HA . 24 LEU HA 1 1
390 1 1 1 1 23 LYS HB3 . 23 LYS+ HB3 1 1
390 1 2 1 1 23 LYS HD2 . 23 LYS+ HD3 1 1
391 1 1 1 1 23 LYS HB3 . 23 LYS+ HB3 1 1
391 1 2 1 1 23 LYS HD3 . 23 LYS+ HD2 1 1
392 1 1 1 1 23 LYS HB3 . 23 LYS+ HB3 1 1
392 1 2 1 1 24 LEU H . 24 LEU HN 1 1
393 1 1 1 1 23 LYS HB3 . 23 LYS+ HB3 1 1
393 1 2 1 1 24 LEU HA . 24 LEU HA 1 1
394 1 1 1 1 23 LYS HB3 . 23 LYS+ HB3 1 1
394 1 2 1 1 24 LEU MD1 . 24 LEU QD1 1 1
395 1 1 1 1 23 LYS HB3 . 23 LYS+ HB3 1 1
395 1 2 1 1 24 LEU MD2 . 24 LEU QD2 1 1
396 1 1 1 1 23 LYS HG2 . 23 LYS+ HG2 1 1
396 1 2 1 1 24 LEU MD2 . 24 LEU QD2 1 1
397 1 1 1 1 23 LYS HG3 . 23 LYS+ HG3 1 1
397 1 2 1 1 24 LEU H . 24 LEU HN 1 1
398 1 1 1 1 24 LEU H . 24 LEU HN 1 1
398 1 2 1 1 24 LEU HB2 . 24 LEU HB2 1 1
399 1 1 1 1 24 LEU H . 24 LEU HN 1 1
399 1 2 1 1 24 LEU HB3 . 24 LEU HB3 1 1
400 1 1 1 1 24 LEU H . 24 LEU HN 1 1
400 1 2 1 1 24 LEU HG . 24 LEU HG 1 1
401 1 1 1 1 24 LEU H . 24 LEU HN 1 1
401 1 2 1 1 25 GLY H . 25 GLY HN 1 1
402 1 1 1 1 24 LEU H . 24 LEU HN 1 1
402 1 2 1 1 25 GLY HA2 . 25 GLY HA1 1 1
403 1 1 1 1 24 LEU HA . 24 LEU HA 1 1
403 1 2 1 1 24 LEU MD2 . 24 LEU QD2 1 1
404 1 1 1 1 24 LEU HA . 24 LEU HA 1 1
404 1 2 1 1 24 LEU HG . 24 LEU HG 1 1
405 1 1 1 1 24 LEU HA . 24 LEU HA 1 1
405 1 2 1 1 25 GLY H . 25 GLY HN 1 1
406 1 1 1 1 24 LEU HA . 24 LEU HA 1 1
406 1 2 1 1 28 ALA MB . 28 ALA QB 1 1
407 1 1 1 1 24 LEU HB2 . 24 LEU HB2 1 1
407 1 2 1 1 25 GLY H . 25 GLY HN 1 1
408 1 1 1 1 24 LEU HB2 . 24 LEU HB2 1 1
408 1 2 1 1 28 ALA MB . 28 ALA QB 1 1
409 1 1 1 1 24 LEU HB3 . 24 LEU HB3 1 1
409 1 2 1 1 25 GLY H . 25 GLY HN 1 1
410 1 1 1 1 24 LEU HB3 . 24 LEU HB3 1 1
410 1 2 1 1 28 ALA H . 28 ALA HN 1 1
411 1 1 1 1 24 LEU HB3 . 24 LEU HB3 1 1
411 1 2 1 1 28 ALA MB . 28 ALA QB 1 1
412 1 1 1 1 24 LEU MD1 . 24 LEU QD1 1 1
412 1 2 1 1 25 GLY H . 25 GLY HN 1 1
413 1 1 1 1 24 LEU HG . 24 LEU HG 1 1
413 1 2 1 1 25 GLY H . 25 GLY HN 1 1
414 1 1 1 1 25 GLY H . 25 GLY HN 1 1
414 1 2 1 1 26 CYS H . 26 CYSS HN 1 1
415 1 1 1 1 25 GLY HA2 . 25 GLY HA1 1 1
415 1 2 1 1 26 CYS H . 26 CYSS HN 1 1
416 1 1 1 1 25 GLY HA2 . 25 GLY HA1 1 1
416 1 2 1 1 26 CYS HA . 26 CYSS HA 1 1
417 1 1 1 1 25 GLY HA2 . 25 GLY HA1 1 1
417 1 2 1 1 27 ASP H . 27 ASP- HN 1 1
418 1 1 1 1 25 GLY HA2 . 25 GLY HA1 1 1
418 1 2 1 1 28 ALA H . 28 ALA HN 1 1
419 1 1 1 1 25 GLY HA3 . 25 GLY HA2 1 1
419 1 2 1 1 26 CYS H . 26 CYSS HN 1 1
420 1 1 1 1 25 GLY HA3 . 25 GLY HA2 1 1
420 1 2 1 1 27 ASP H . 27 ASP- HN 1 1
421 1 1 1 1 25 GLY HA3 . 25 GLY HA2 1 1
421 1 2 1 1 28 ALA H . 28 ALA HN 1 1
422 1 1 1 1 26 CYS H . 26 CYSS HN 1 1
422 1 2 1 1 26 CYS HB2 . 26 CYSS HB2 1 1
423 1 1 1 1 26 CYS H . 26 CYSS HN 1 1
423 1 2 1 1 26 CYS HB3 . 26 CYSS HB3 1 1
424 1 1 1 1 26 CYS H . 26 CYSS HN 1 1
424 1 2 1 1 27 ASP H . 27 ASP- HN 1 1
425 1 1 1 1 26 CYS H . 26 CYSS HN 1 1
425 1 2 1 1 28 ALA MB . 28 ALA QB 1 1
426 1 1 1 1 26 CYS HA . 26 CYSS HA 1 1
426 1 2 1 1 27 ASP H . 27 ASP- HN 1 1
427 1 1 1 1 26 CYS HA . 26 CYSS HA 1 1
427 1 2 1 1 27 ASP HA . 27 ASP- HA 1 1
428 1 1 1 1 26 CYS HA . 26 CYSS HA 1 1
428 1 2 1 1 28 ALA H . 28 ALA HN 1 1
429 1 1 1 1 26 CYS HB2 . 26 CYSS HB2 1 1
429 1 2 1 1 27 ASP H . 27 ASP- HN 1 1
430 1 1 1 1 26 CYS HB2 . 26 CYSS HB2 1 1
430 1 2 1 1 27 ASP HA . 27 ASP- HA 1 1
431 1 1 1 1 26 CYS HB3 . 26 CYSS HB3 1 1
431 1 2 1 1 27 ASP H . 27 ASP- HN 1 1
432 1 1 1 1 26 CYS HB3 . 26 CYSS HB3 1 1
432 1 2 1 1 29 CYS HB2 . 29 CYSS HB2 1 1
433 1 1 1 1 27 ASP H . 27 ASP- HN 1 1
433 1 2 1 1 28 ALA H . 28 ALA HN 1 1
434 1 1 1 1 27 ASP H . 27 ASP- HN 1 1
434 1 2 1 1 28 ALA HA . 28 ALA HA 1 1
435 1 1 1 1 27 ASP H . 27 ASP- HN 1 1
435 1 2 1 1 28 ALA MB . 28 ALA QB 1 1
436 1 1 1 1 27 ASP H . 27 ASP- HN 1 1
436 1 2 1 1 29 CYS H . 29 CYSS HN 1 1
437 1 1 1 1 27 ASP HA . 27 ASP- HA 1 1
437 1 2 1 1 28 ALA H . 28 ALA HN 1 1
438 1 1 1 1 27 ASP HA . 27 ASP- HA 1 1
438 1 2 1 1 28 ALA MB . 28 ALA QB 1 1
439 1 1 1 1 27 ASP HA . 27 ASP- HA 1 1
439 1 2 1 1 29 CYS H . 29 CYSS HN 1 1
440 1 1 1 1 27 ASP HA . 27 ASP- HA 1 1
440 1 2 1 1 31 GLU HA . 31 GLU- HA 1 1
441 1 1 1 1 27 ASP HA . 27 ASP- HA 1 1
441 1 2 1 1 32 GLY H . 32 GLY HN 1 1
442 1 1 1 1 27 ASP QB . 27 ASP- QB 1 1
442 1 2 1 1 28 ALA H . 28 ALA HN 1 1
443 1 1 1 1 28 ALA H . 28 ALA HN 1 1
443 1 2 1 1 28 ALA MB . 28 ALA QB 1 1
444 1 1 1 1 28 ALA H . 28 ALA HN 1 1
444 1 2 1 1 29 CYS H . 29 CYSS HN 1 1
445 1 1 1 1 28 ALA HA . 28 ALA HA 1 1
445 1 2 1 1 29 CYS H . 29 CYSS HN 1 1
446 1 1 1 1 28 ALA MB . 28 ALA QB 1 1
446 1 2 1 1 29 CYS H . 29 CYSS HN 1 1
447 1 1 1 1 29 CYS HB2 . 29 CYSS HB2 1 1
447 1 2 1 1 37 ILE MD . 37 ILE QD1 1 1
448 1 1 1 1 29 CYS HB3 . 29 CYSS HB3 1 1
448 1 2 1 1 37 ILE MD . 37 ILE QD1 1 1
449 1 1 1 1 31 GLU H . 31 GLU- HN 1 1
449 1 2 1 1 31 GLU HB3 . 31 GLU- HB3 1 1
450 1 1 1 1 31 GLU H . 31 GLU- HN 1 1
450 1 2 1 1 32 GLY H . 32 GLY HN 1 1
451 1 1 1 1 31 GLU HA . 31 GLU- HA 1 1
451 1 2 1 1 32 GLY H . 32 GLY HN 1 1
452 1 1 1 1 31 GLU HB2 . 31 GLU- HB2 1 1
452 1 2 1 1 32 GLY H . 32 GLY HN 1 1
453 1 1 1 1 31 GLU HB3 . 31 GLU- HB3 1 1
453 1 2 1 1 32 GLY H . 32 GLY HN 1 1
454 1 1 1 1 32 GLY H . 32 GLY HN 1 1
454 1 2 1 1 33 THR H . 33 THR HN 1 1
455 1 1 1 1 33 THR H . 33 THR HN 1 1
455 1 2 1 1 33 THR HB . 33 THR HB 1 1
456 1 1 1 1 33 THR HA . 33 THR HA 1 1
456 1 2 1 1 34 PRO HD2 . 34 PRO HD2 1 1
457 1 1 1 1 33 THR HB . 33 THR HB 1 1
457 1 2 1 1 34 PRO HA . 34 PRO HA 1 1
458 1 1 1 1 33 THR MG . 33 THR QG2 1 1
458 1 2 1 1 34 PRO HG2 . 34 PRO HG2 1 1
459 1 1 1 1 33 THR MG . 33 THR QG2 1 1
459 1 2 1 1 35 ALA MB . 35 ALA QB 1 1
460 1 1 1 1 34 PRO HA . 34 PRO HA 1 1
460 1 2 1 1 35 ALA H . 35 ALA HN 1 1
461 1 1 1 1 34 PRO HA . 34 PRO HA 1 1
461 1 2 1 1 35 ALA MB . 35 ALA QB 1 1
462 1 1 1 1 34 PRO HD3 . 34 PRO HD3 1 1
462 1 2 1 1 34 PRO HG2 . 34 PRO HG2 1 1
463 1 1 1 1 35 ALA HA . 35 ALA HA 1 1
463 1 2 1 1 36 LYS H . 36 LYS+ HN 1 1
464 1 1 1 1 35 ALA HA . 35 ALA HA 1 1
464 1 2 1 1 36 LYS HA . 36 LYS+ HA 1 1
465 1 1 1 1 35 ALA HA . 35 ALA HA 1 1
465 1 2 1 1 36 LYS HB3 . 36 LYS+ HB3 1 1
466 1 1 1 1 35 ALA HA . 35 ALA HA 1 1
466 1 2 1 1 36 LYS HG3 . 36 LYS+ HG2 1 1
467 1 1 1 1 35 ALA MB . 35 ALA QB 1 1
467 1 2 1 1 36 LYS H . 36 LYS+ HN 1 1
468 1 1 1 1 35 ALA MB . 35 ALA QB 1 1
468 1 2 1 1 36 LYS HB3 . 36 LYS+ HB3 1 1
469 1 1 1 1 36 LYS H . 36 LYS+ HN 1 1
469 1 2 1 1 36 LYS HB3 . 36 LYS+ HB3 1 1
470 1 1 1 1 36 LYS H . 36 LYS+ HN 1 1
470 1 2 1 1 36 LYS HG2 . 36 LYS+ HG3 1 1
471 1 1 1 1 36 LYS H . 36 LYS+ HN 1 1
471 1 2 1 1 36 LYS HG3 . 36 LYS+ HG2 1 1
472 1 1 1 1 36 LYS H . 36 LYS+ HN 1 1
472 1 2 1 1 37 ILE H . 37 ILE HN 1 1
473 1 1 1 1 36 LYS HA . 36 LYS+ HA 1 1
473 1 2 1 1 36 LYS HD2 . 36 LYS+ HD2 1 1
474 1 1 1 1 36 LYS HA . 36 LYS+ HA 1 1
474 1 2 1 1 36 LYS HG3 . 36 LYS+ HG2 1 1
475 1 1 1 1 36 LYS HA . 36 LYS+ HA 1 1
475 1 2 1 1 37 ILE H . 37 ILE HN 1 1
476 1 1 1 1 36 LYS HA . 36 LYS+ HA 1 1
476 1 2 1 1 37 ILE HA . 37 ILE HA 1 1
477 1 1 1 1 36 LYS HA . 36 LYS+ HA 1 1
477 1 2 1 1 37 ILE HB . 37 ILE HB 1 1
478 1 1 1 1 36 LYS HB2 . 36 LYS+ HB2 1 1
478 1 2 1 1 36 LYS HD2 . 36 LYS+ HD2 1 1
479 1 1 1 1 36 LYS HB2 . 36 LYS+ HB2 1 1
479 1 2 1 1 36 LYS HE2 . 36 LYS+ HE2 1 1
480 1 1 1 1 36 LYS HB2 . 36 LYS+ HB2 1 1
480 1 2 1 1 36 LYS HE3 . 36 LYS+ HE3 1 1
481 1 1 1 1 36 LYS HB2 . 36 LYS+ HB2 1 1
481 1 2 1 1 36 LYS HG2 . 36 LYS+ HG3 1 1
482 1 1 1 1 36 LYS HB2 . 36 LYS+ HB2 1 1
482 1 2 1 1 36 LYS HG3 . 36 LYS+ HG2 1 1
483 1 1 1 1 36 LYS HB2 . 36 LYS+ HB2 1 1
483 1 2 1 1 37 ILE H . 37 ILE HN 1 1
484 1 1 1 1 36 LYS HB2 . 36 LYS+ HB2 1 1
484 1 2 1 1 38 ALA HA . 38 ALA HA 1 1
485 1 1 1 1 36 LYS HB3 . 36 LYS+ HB3 1 1
485 1 2 1 1 36 LYS HG3 . 36 LYS+ HG2 1 1
486 1 1 1 1 36 LYS HB3 . 36 LYS+ HB3 1 1
486 1 2 1 1 37 ILE H . 37 ILE HN 1 1
487 1 1 1 1 36 LYS HG3 . 36 LYS+ HG2 1 1
487 1 2 1 1 37 ILE H . 37 ILE HN 1 1
488 1 1 1 1 37 ILE H . 37 ILE HN 1 1
488 1 2 1 1 37 ILE HB . 37 ILE HB 1 1
489 1 1 1 1 37 ILE H . 37 ILE HN 1 1
489 1 2 1 1 37 ILE HG12 . 37 ILE HG12 1 1
490 1 1 1 1 37 ILE H . 37 ILE HN 1 1
490 1 2 1 1 37 ILE HG13 . 37 ILE HG13 1 1
491 1 1 1 1 37 ILE H . 37 ILE HN 1 1
491 1 2 1 1 38 ALA H . 38 ALA HN 1 1
492 1 1 1 1 37 ILE HA . 37 ILE HA 1 1
492 1 2 1 1 37 ILE HG12 . 37 ILE HG12 1 1
493 1 1 1 1 37 ILE HA . 37 ILE HA 1 1
493 1 2 1 1 37 ILE HG13 . 37 ILE HG13 1 1
494 1 1 1 1 37 ILE HA . 37 ILE HA 1 1
494 1 2 1 1 38 ALA H . 38 ALA HN 1 1
495 1 1 1 1 37 ILE HB . 37 ILE HB 1 1
495 1 2 1 1 38 ALA H . 38 ALA HN 1 1
496 1 1 1 1 37 ILE HB . 37 ILE HB 1 1
496 1 2 1 1 39 ILE MD . 39 ILE QD1 1 1
497 1 1 1 1 37 ILE HB . 37 ILE HB 1 1
497 1 2 1 1 39 ILE HG12 . 39 ILE HG12 1 1
498 1 1 1 1 37 ILE MD . 37 ILE QD1 1 1
498 1 2 1 1 38 ALA H . 38 ALA HN 1 1
499 1 1 1 1 37 ILE MD . 37 ILE QD1 1 1
499 1 2 1 1 39 ILE MD . 39 ILE QD1 1 1
500 1 1 1 1 37 ILE MD . 37 ILE QD1 1 1
500 1 2 1 1 48 ALA MB . 48 ALA QB 1 1
501 1 1 1 1 37 ILE HG12 . 37 ILE HG12 1 1
501 1 2 1 1 38 ALA H . 38 ALA HN 1 1
502 1 1 1 1 37 ILE HG13 . 37 ILE HG13 1 1
502 1 2 1 1 38 ALA H . 38 ALA HN 1 1
503 1 1 1 1 37 ILE MG . 37 ILE QG2 1 1
503 1 2 1 1 38 ALA H . 38 ALA HN 1 1
504 1 1 1 1 37 ILE MG . 37 ILE QG2 1 1
504 1 2 1 1 38 ALA MB . 38 ALA QB 1 1
505 1 1 1 1 37 ILE MG . 37 ILE QG2 1 1
505 1 2 1 1 39 ILE HG12 . 39 ILE HG12 1 1
506 1 1 1 1 37 ILE MG . 37 ILE QG2 1 1
506 1 2 1 1 43 SER HB3 . 43 SER HB3 1 1
507 1 1 1 1 38 ALA H . 38 ALA HN 1 1
507 1 2 1 1 38 ALA MB . 38 ALA QB 1 1
508 1 1 1 1 38 ALA H . 38 ALA HN 1 1
508 1 2 1 1 39 ILE H . 39 ILE HN 1 1
509 1 1 1 1 38 ALA HA . 38 ALA HA 1 1
509 1 2 1 1 39 ILE H . 39 ILE HN 1 1
510 1 1 1 1 38 ALA HA . 38 ALA HA 1 1
510 1 2 1 1 39 ILE HA . 39 ILE HA 1 1
511 1 1 1 1 38 ALA HA . 38 ALA HA 1 1
511 1 2 1 1 39 ILE HB . 39 ILE HB 1 1
512 1 1 1 1 38 ALA HA . 38 ALA HA 1 1
512 1 2 1 1 39 ILE MD . 39 ILE QD1 1 1
513 1 1 1 1 38 ALA HA . 38 ALA HA 1 1
513 1 2 1 1 39 ILE HG12 . 39 ILE HG12 1 1
514 1 1 1 1 38 ALA HA . 38 ALA HA 1 1
514 1 2 1 1 39 ILE MG . 39 ILE QG2 1 1
515 1 1 1 1 38 ALA MB . 38 ALA QB 1 1
515 1 2 1 1 39 ILE H . 39 ILE HN 1 1
516 1 1 1 1 39 ILE H . 39 ILE HN 1 1
516 1 2 1 1 39 ILE HB . 39 ILE HB 1 1
517 1 1 1 1 39 ILE H . 39 ILE HN 1 1
517 1 2 1 1 39 ILE MD . 39 ILE QD1 1 1
518 1 1 1 1 39 ILE H . 39 ILE HN 1 1
518 1 2 1 1 39 ILE HG12 . 39 ILE HG12 1 1
519 1 1 1 1 39 ILE H . 39 ILE HN 1 1
519 1 2 1 1 39 ILE HG13 . 39 ILE HG13 1 1
520 1 1 1 1 39 ILE H . 39 ILE HN 1 1
520 1 2 1 1 40 ASP H . 40 ASP- HN 1 1
521 1 1 1 1 39 ILE HA . 39 ILE HA 1 1
521 1 2 1 1 39 ILE MD . 39 ILE QD1 1 1
522 1 1 1 1 39 ILE HA . 39 ILE HA 1 1
522 1 2 1 1 39 ILE HG12 . 39 ILE HG12 1 1
523 1 1 1 1 39 ILE HA . 39 ILE HA 1 1
523 1 2 1 1 39 ILE HG13 . 39 ILE HG13 1 1
524 1 1 1 1 39 ILE HA . 39 ILE HA 1 1
524 1 2 1 1 40 ASP H . 40 ASP- HN 1 1
525 1 1 1 1 39 ILE HA . 39 ILE HA 1 1
525 1 2 1 1 43 SER HB2 . 43 SER HB2 1 1
526 1 1 1 1 39 ILE HA . 39 ILE HA 1 1
526 1 2 1 1 44 ALA H . 44 ALA HN 1 1
527 1 1 1 1 39 ILE HA . 39 ILE HA 1 1
527 1 2 1 1 44 ALA MB . 44 ALA QB 1 1
528 1 1 1 1 39 ILE HA . 39 ILE HA 1 1
528 1 2 1 1 48 ALA MB . 48 ALA QB 1 1
529 1 1 1 1 39 ILE HB . 39 ILE HB 1 1
529 1 2 1 1 39 ILE HG12 . 39 ILE HG12 1 1
530 1 1 1 1 39 ILE HB . 39 ILE HB 1 1
530 1 2 1 1 39 ILE HG13 . 39 ILE HG13 1 1
531 1 1 1 1 39 ILE HB . 39 ILE HB 1 1
531 1 2 1 1 40 ASP H . 40 ASP- HN 1 1
532 1 1 1 1 39 ILE HB . 39 ILE HB 1 1
532 1 2 1 1 44 ALA MB . 44 ALA QB 1 1
533 1 1 1 1 39 ILE MD . 39 ILE QD1 1 1
533 1 2 1 1 40 ASP H . 40 ASP- HN 1 1
534 1 1 1 1 39 ILE MD . 39 ILE QD1 1 1
534 1 2 1 1 43 SER HB2 . 43 SER HB2 1 1
535 1 1 1 1 39 ILE MD . 39 ILE QD1 1 1
535 1 2 1 1 43 SER HB3 . 43 SER HB3 1 1
536 1 1 1 1 39 ILE MD . 39 ILE QD1 1 1
536 1 2 1 1 44 ALA H . 44 ALA HN 1 1
537 1 1 1 1 39 ILE MD . 39 ILE QD1 1 1
537 1 2 1 1 44 ALA HA . 44 ALA HA 1 1
538 1 1 1 1 39 ILE MD . 39 ILE QD1 1 1
538 1 2 1 1 44 ALA MB . 44 ALA QB 1 1
539 1 1 1 1 39 ILE MD . 39 ILE QD1 1 1
539 1 2 1 1 48 ALA H . 48 ALA HN 1 1
540 1 1 1 1 39 ILE MD . 39 ILE QD1 1 1
540 1 2 1 1 48 ALA MB . 48 ALA QB 1 1
541 1 1 1 1 39 ILE HG12 . 39 ILE HG12 1 1
541 1 2 1 1 40 ASP H . 40 ASP- HN 1 1
542 1 1 1 1 39 ILE HG13 . 39 ILE HG13 1 1
542 1 2 1 1 40 ASP H . 40 ASP- HN 1 1
543 1 1 1 1 39 ILE MG . 39 ILE QG2 1 1
543 1 2 1 1 40 ASP H . 40 ASP- HN 1 1
544 1 1 1 1 39 ILE MG . 39 ILE QG2 1 1
544 1 2 1 1 40 ASP HA . 40 ASP- HA 1 1
545 1 1 1 1 39 ILE MG . 39 ILE QG2 1 1
545 1 2 1 1 43 SER HB3 . 43 SER HB3 1 1
546 1 1 1 1 39 ILE MG . 39 ILE QG2 1 1
546 1 2 1 1 44 ALA H . 44 ALA HN 1 1
547 1 1 1 1 39 ILE MG . 39 ILE QG2 1 1
547 1 2 1 1 44 ALA HA . 44 ALA HA 1 1
548 1 1 1 1 39 ILE MG . 39 ILE QG2 1 1
548 1 2 1 1 44 ALA MB . 44 ALA QB 1 1
549 1 1 1 1 39 ILE MG . 39 ILE QG2 1 1
549 1 2 1 1 48 ALA MB . 48 ALA QB 1 1
550 1 1 1 1 40 ASP H . 40 ASP- HN 1 1
550 1 2 1 1 43 SER H . 43 SER HN 1 1
551 1 1 1 1 40 ASP H . 40 ASP- HN 1 1
551 1 2 1 1 43 SER HB2 . 43 SER HB2 1 1
552 1 1 1 1 40 ASP H . 40 ASP- HN 1 1
552 1 2 1 1 44 ALA H . 44 ALA HN 1 1
553 1 1 1 1 40 ASP H . 40 ASP- HN 1 1
553 1 2 1 1 44 ALA MB . 44 ALA QB 1 1
554 1 1 1 1 40 ASP H . 40 ASP- HN 1 1
554 1 2 1 1 48 ALA MB . 48 ALA QB 1 1
555 1 1 1 1 40 ASP HA . 40 ASP- HA 1 1
555 1 2 1 1 41 LYS H . 41 LYS+ HN 1 1
556 1 1 1 1 40 ASP HA . 40 ASP- HA 1 1
556 1 2 1 1 41 LYS QG . 41 LYS+ QG 1 1
557 1 1 1 1 40 ASP HB2 . 40 ASP- HB3 1 1
557 1 2 1 1 41 LYS H . 41 LYS+ HN 1 1
558 1 1 1 1 40 ASP HB2 . 40 ASP- HB3 1 1
558 1 2 1 1 42 LYS H . 42 LYS+ HN 1 1
559 1 1 1 1 40 ASP HB3 . 40 ASP- HB2 1 1
559 1 2 1 1 41 LYS H . 41 LYS+ HN 1 1
560 1 1 1 1 40 ASP HB3 . 40 ASP- HB2 1 1
560 1 2 1 1 42 LYS H . 42 LYS+ HN 1 1
561 1 1 1 1 41 LYS H . 41 LYS+ HN 1 1
561 1 2 1 1 41 LYS QG . 41 LYS+ QG 1 1
562 1 1 1 1 41 LYS H . 41 LYS+ HN 1 1
562 1 2 1 1 42 LYS H . 42 LYS+ HN 1 1
563 1 1 1 1 41 LYS HA . 41 LYS+ HA 1 1
563 1 2 1 1 42 LYS H . 42 LYS+ HN 1 1
564 1 1 1 1 41 LYS HA . 41 LYS+ HA 1 1
564 1 2 1 1 44 ALA MB . 44 ALA QB 1 1
565 1 1 1 1 41 LYS QB . 41 LYS+ QB 1 1
565 1 2 1 1 42 LYS H . 42 LYS+ HN 1 1
566 1 1 1 1 41 LYS QB . 41 LYS+ QB 1 1
566 1 2 1 1 44 ALA H . 44 ALA HN 1 1
567 1 1 1 1 41 LYS QG . 41 LYS+ QG 1 1
567 1 2 1 1 42 LYS H . 42 LYS+ HN 1 1
568 1 1 1 1 42 LYS H . 42 LYS+ HN 1 1
568 1 2 1 1 42 LYS QB . 42 LYS+ QB 1 1
569 1 1 1 1 42 LYS H . 42 LYS+ HN 1 1
569 1 2 1 1 42 LYS QG . 42 LYS+ QG 1 1
570 1 1 1 1 42 LYS H . 42 LYS+ HN 1 1
570 1 2 1 1 43 SER H . 43 SER HN 1 1
571 1 1 1 1 42 LYS H . 42 LYS+ HN 1 1
571 1 2 1 1 43 SER HA . 43 SER HA 1 1
572 1 1 1 1 42 LYS H . 42 LYS+ HN 1 1
572 1 2 1 1 44 ALA H . 44 ALA HN 1 1
573 1 1 1 1 42 LYS HA . 42 LYS+ HA 1 1
573 1 2 1 1 43 SER H . 43 SER HN 1 1
574 1 1 1 1 42 LYS HA . 42 LYS+ HA 1 1
574 1 2 1 1 44 ALA H . 44 ALA HN 1 1
575 1 1 1 1 42 LYS HA . 42 LYS+ HA 1 1
575 1 2 1 1 45 HIS H . 45 HIS HN 1 1
576 1 1 1 1 42 LYS HA . 42 LYS+ HA 1 1
576 1 2 1 1 45 HIS HB2 . 45 HIS HB2 1 1
577 1 1 1 1 42 LYS HA . 42 LYS+ HA 1 1
577 1 2 1 1 45 HIS HB3 . 45 HIS HB3 1 1
578 1 1 1 1 42 LYS QB . 42 LYS+ QB 1 1
578 1 2 1 1 43 SER H . 43 SER HN 1 1
579 1 1 1 1 42 LYS QG . 42 LYS+ QG 1 1
579 1 2 1 1 43 SER H . 43 SER HN 1 1
580 1 1 1 1 43 SER H . 43 SER HN 1 1
580 1 2 1 1 43 SER HB2 . 43 SER HB2 1 1
581 1 1 1 1 43 SER H . 43 SER HN 1 1
581 1 2 1 1 43 SER HB3 . 43 SER HB3 1 1
582 1 1 1 1 43 SER H . 43 SER HN 1 1
582 1 2 1 1 44 ALA H . 44 ALA HN 1 1
583 1 1 1 1 43 SER HA . 43 SER HA 1 1
583 1 2 1 1 44 ALA H . 44 ALA HN 1 1
584 1 1 1 1 43 SER HA . 43 SER HA 1 1
584 1 2 1 1 46 LYS H . 46 LYS+ HN 1 1
585 1 1 1 1 43 SER HA . 43 SER HA 1 1
585 1 2 1 1 47 ASP H . 47 ASP- HN 1 1
586 1 1 1 1 43 SER HA . 43 SER HA 1 1
586 1 2 1 1 48 ALA H . 48 ALA HN 1 1
587 1 1 1 1 43 SER HB2 . 43 SER HB2 1 1
587 1 2 1 1 44 ALA H . 44 ALA HN 1 1
588 1 1 1 1 43 SER HB2 . 43 SER HB2 1 1
588 1 2 1 1 48 ALA H . 48 ALA HN 1 1
589 1 1 1 1 43 SER HB2 . 43 SER HB2 1 1
589 1 2 1 1 48 ALA MB . 48 ALA QB 1 1
590 1 1 1 1 43 SER HB3 . 43 SER HB3 1 1
590 1 2 1 1 44 ALA H . 44 ALA HN 1 1
591 1 1 1 1 43 SER HB3 . 43 SER HB3 1 1
591 1 2 1 1 48 ALA H . 48 ALA HN 1 1
592 1 1 1 1 43 SER HB3 . 43 SER HB3 1 1
592 1 2 1 1 48 ALA MB . 48 ALA QB 1 1
593 1 1 1 1 44 ALA H . 44 ALA HN 1 1
593 1 2 1 1 44 ALA MB . 44 ALA QB 1 1
594 1 1 1 1 44 ALA H . 44 ALA HN 1 1
594 1 2 1 1 45 HIS H . 45 HIS HN 1 1
595 1 1 1 1 44 ALA H . 44 ALA HN 1 1
595 1 2 1 1 48 ALA MB . 48 ALA QB 1 1
596 1 1 1 1 44 ALA HA . 44 ALA HA 1 1
596 1 2 1 1 45 HIS H . 45 HIS HN 1 1
597 1 1 1 1 44 ALA HA . 44 ALA HA 1 1
597 1 2 1 1 48 ALA MB . 48 ALA QB 1 1
598 1 1 1 1 44 ALA HA . 44 ALA HA 1 1
598 1 2 1 1 50 LYS HG3 . 50 LYS+ HG3 1 1
599 1 1 1 1 44 ALA MB . 44 ALA QB 1 1
599 1 2 1 1 45 HIS H . 45 HIS HN 1 1
600 1 1 1 1 44 ALA MB . 44 ALA QB 1 1
600 1 2 1 1 45 HIS HB2 . 45 HIS HB2 1 1
601 1 1 1 1 44 ALA MB . 44 ALA QB 1 1
601 1 2 1 1 45 HIS HB3 . 45 HIS HB3 1 1
602 1 1 1 1 44 ALA MB . 44 ALA QB 1 1
602 1 2 1 1 48 ALA MB . 48 ALA QB 1 1
603 1 1 1 1 44 ALA MB . 44 ALA QB 1 1
603 1 2 1 1 50 LYS H . 50 LYS+ HN 1 1
604 1 1 1 1 45 HIS H . 45 HIS HN 1 1
604 1 2 1 1 45 HIS HB2 . 45 HIS HB2 1 1
605 1 1 1 1 45 HIS H . 45 HIS HN 1 1
605 1 2 1 1 45 HIS HB3 . 45 HIS HB3 1 1
606 1 1 1 1 45 HIS H . 45 HIS HN 1 1
606 1 2 1 1 46 LYS H . 46 LYS+ HN 1 1
607 1 1 1 1 45 HIS H . 45 HIS HN 1 1
607 1 2 1 1 48 ALA MB . 48 ALA QB 1 1
608 1 1 1 1 45 HIS HA . 45 HIS HA 1 1
608 1 2 1 1 46 LYS H . 46 LYS+ HN 1 1
609 1 1 1 1 45 HIS HA . 45 HIS HA 1 1
609 1 2 1 1 50 LYS H . 50 LYS+ HN 1 1
610 1 1 1 1 45 HIS HA . 45 HIS HA 1 1
610 1 2 1 1 50 LYS QB . 50 LYS+ HB2 1 1
611 1 1 1 1 45 HIS HA . 45 HIS HA 1 1
611 1 2 1 1 50 LYS HG2 . 50 LYS+ HG2 1 1
612 1 1 1 1 45 HIS HB2 . 45 HIS HB2 1 1
612 1 2 1 1 46 LYS H . 46 LYS+ HN 1 1
613 1 1 1 1 45 HIS HB3 . 45 HIS HB3 1 1
613 1 2 1 1 46 LYS H . 46 LYS+ HN 1 1
614 1 1 1 1 46 LYS H . 46 LYS+ HN 1 1
614 1 2 1 1 46 LYS HB2 . 46 LYS+ HB2 1 1
615 1 1 1 1 46 LYS H . 46 LYS+ HN 1 1
615 1 2 1 1 46 LYS HB3 . 46 LYS+ HB3 1 1
616 1 1 1 1 46 LYS H . 46 LYS+ HN 1 1
616 1 2 1 1 46 LYS HG2 . 46 LYS+ HG2 1 1
617 1 1 1 1 46 LYS H . 46 LYS+ HN 1 1
617 1 2 1 1 46 LYS HG3 . 46 LYS+ HG3 1 1
618 1 1 1 1 46 LYS H . 46 LYS+ HN 1 1
618 1 2 1 1 47 ASP H . 47 ASP- HN 1 1
619 1 1 1 1 46 LYS H . 46 LYS+ HN 1 1
619 1 2 1 1 48 ALA H . 48 ALA HN 1 1
620 1 1 1 1 46 LYS H . 46 LYS+ HN 1 1
620 1 2 1 1 48 ALA MB . 48 ALA QB 1 1
621 1 1 1 1 46 LYS H . 46 LYS+ HN 1 1
621 1 2 1 1 50 LYS H . 50 LYS+ HN 1 1
622 1 1 1 1 46 LYS H . 46 LYS+ HN 1 1
622 1 2 1 1 50 LYS QB . 50 LYS+ HB3 1 1
623 1 1 1 1 46 LYS HA . 46 LYS+ HA 1 1
623 1 2 1 1 46 LYS HG2 . 46 LYS+ HG2 1 1
624 1 1 1 1 46 LYS HA . 46 LYS+ HA 1 1
624 1 2 1 1 46 LYS HG3 . 46 LYS+ HG3 1 1
625 1 1 1 1 46 LYS HA . 46 LYS+ HA 1 1
625 1 2 1 1 47 ASP H . 47 ASP- HN 1 1
626 1 1 1 1 46 LYS HA . 46 LYS+ HA 1 1
626 1 2 1 1 47 ASP HA . 47 ASP- HA 1 1
627 1 1 1 1 46 LYS HB2 . 46 LYS+ HB2 1 1
627 1 2 1 1 47 ASP H . 47 ASP- HN 1 1
628 1 1 1 1 46 LYS HB3 . 46 LYS+ HB3 1 1
628 1 2 1 1 46 LYS HG2 . 46 LYS+ HG2 1 1
629 1 1 1 1 46 LYS HB3 . 46 LYS+ HB3 1 1
629 1 2 1 1 47 ASP H . 47 ASP- HN 1 1
630 1 1 1 1 46 LYS HB3 . 46 LYS+ HB3 1 1
630 1 2 1 1 48 ALA H . 48 ALA HN 1 1
631 1 1 1 1 46 LYS HD2 . 46 LYS+ HD2 1 1
631 1 2 1 1 47 ASP H . 47 ASP- HN 1 1
632 1 1 1 1 46 LYS HG2 . 46 LYS+ HG2 1 1
632 1 2 1 1 47 ASP H . 47 ASP- HN 1 1
633 1 1 1 1 47 ASP H . 47 ASP- HN 1 1
633 1 2 1 1 47 ASP HB2 . 47 ASP- HB2 1 1
634 1 1 1 1 47 ASP H . 47 ASP- HN 1 1
634 1 2 1 1 47 ASP HB3 . 47 ASP- HB3 1 1
635 1 1 1 1 47 ASP H . 47 ASP- HN 1 1
635 1 2 1 1 48 ALA H . 48 ALA HN 1 1
636 1 1 1 1 47 ASP H . 47 ASP- HN 1 1
636 1 2 1 1 48 ALA MB . 48 ALA QB 1 1
637 1 1 1 1 47 ASP HA . 47 ASP- HA 1 1
637 1 2 1 1 48 ALA H . 48 ALA HN 1 1
638 1 1 1 1 47 ASP HA . 47 ASP- HA 1 1
638 1 2 1 1 51 THR HB . 51 THR HB 1 1
639 1 1 1 1 47 ASP HA . 47 ASP- HA 1 1
639 1 2 1 1 51 THR MG . 51 THR QG2 1 1
640 1 1 1 1 47 ASP HB2 . 47 ASP- HB2 1 1
640 1 2 1 1 48 ALA H . 48 ALA HN 1 1
641 1 1 1 1 47 ASP HB3 . 47 ASP- HB3 1 1
641 1 2 1 1 48 ALA H . 48 ALA HN 1 1
642 1 1 1 1 48 ALA H . 48 ALA HN 1 1
642 1 2 1 1 48 ALA MB . 48 ALA QB 1 1
643 1 1 1 1 48 ALA HA . 48 ALA HA 1 1
643 1 2 1 1 52 CYS H . 52 CYSS HN 1 1
644 1 1 1 1 48 ALA MB . 48 ALA QB 1 1
644 1 2 1 1 50 LYS H . 50 LYS+ HN 1 1
645 1 1 1 1 49 CYS QB . 49 CYSS HB3 1 1
645 1 2 1 1 51 THR H . 51 THR HN 1 1
646 1 1 1 1 50 LYS H . 50 LYS+ HN 1 1
646 1 2 1 1 50 LYS QB . 50 LYS+ HB2 1 1
647 1 1 1 1 50 LYS H . 50 LYS+ HN 1 1
647 1 2 1 1 50 LYS HE2 . 50 LYS+ HE2 1 1
648 1 1 1 1 50 LYS H . 50 LYS+ HN 1 1
648 1 2 1 1 50 LYS HE3 . 50 LYS+ HE3 1 1
649 1 1 1 1 50 LYS H . 50 LYS+ HN 1 1
649 1 2 1 1 50 LYS HG2 . 50 LYS+ HG2 1 1
650 1 1 1 1 50 LYS H . 50 LYS+ HN 1 1
650 1 2 1 1 50 LYS HG3 . 50 LYS+ HG3 1 1
651 1 1 1 1 50 LYS H . 50 LYS+ HN 1 1
651 1 2 1 1 51 THR H . 51 THR HN 1 1
652 1 1 1 1 50 LYS HA . 50 LYS+ HA 1 1
652 1 2 1 1 51 THR H . 51 THR HN 1 1
653 1 1 1 1 50 LYS QB . 50 LYS+ HB2 1 1
653 1 2 1 1 50 LYS HE2 . 50 LYS+ HE2 1 1
654 1 1 1 1 50 LYS QB . 50 LYS+ HB2 1 1
654 1 2 1 1 50 LYS HE3 . 50 LYS+ HE3 1 1
655 1 1 1 1 50 LYS QB . 50 LYS+ HB2 1 1
655 1 2 1 1 51 THR H . 51 THR HN 1 1
656 1 1 1 1 51 THR H . 51 THR HN 1 1
656 1 2 1 1 51 THR HB . 51 THR HB 1 1
657 1 1 1 1 51 THR H . 51 THR HN 1 1
657 1 2 1 1 52 CYS H . 52 CYSS HN 1 1
658 1 1 1 1 51 THR HA . 51 THR HA 1 1
658 1 2 1 1 52 CYS H . 52 CYSS HN 1 1
659 1 1 1 1 51 THR HA . 51 THR HA 1 1
659 1 2 1 1 54 LYS H . 54 LYS+ HN 1 1
660 1 1 1 1 51 THR HA . 51 THR HA 1 1
660 1 2 1 1 54 LYS QD . 54 LYS+ HD2 1 1
661 1 1 1 1 51 THR HA . 51 THR HA 1 1
661 1 2 1 1 54 LYS QG . 54 LYS+ HG3 1 1
662 1 1 1 1 51 THR HB . 51 THR HB 1 1
662 1 2 1 1 52 CYS H . 52 CYSS HN 1 1
663 1 1 1 1 51 THR MG . 51 THR QG2 1 1
663 1 2 1 1 52 CYS H . 52 CYSS HN 1 1
664 1 1 1 1 51 THR MG . 51 THR QG2 1 1
664 1 2 1 1 54 LYS QD . 54 LYS+ HD2 1 1
665 1 1 1 1 52 CYS H . 52 CYSS HN 1 1
665 1 2 1 1 52 CYS HB2 . 52 CYSS HB2 1 1
666 1 1 1 1 52 CYS H . 52 CYSS HN 1 1
666 1 2 1 1 52 CYS HB3 . 52 CYSS HB3 1 1
667 1 1 1 1 54 LYS H . 54 LYS+ HN 1 1
667 1 2 1 1 54 LYS HB2 . 54 LYS+ HB2 1 1
668 1 1 1 1 54 LYS H . 54 LYS+ HN 1 1
668 1 2 1 1 54 LYS HB3 . 54 LYS+ HB3 1 1
669 1 1 1 1 54 LYS H . 54 LYS+ HN 1 1
669 1 2 1 1 54 LYS QD . 54 LYS+ HD2 1 1
670 1 1 1 1 54 LYS H . 54 LYS+ HN 1 1
670 1 2 1 1 54 LYS QG . 54 LYS+ HG2 1 1
671 1 1 1 1 54 LYS H . 54 LYS+ HN 1 1
671 1 2 1 1 55 SER H . 55 SER HN 1 1
672 1 1 1 1 54 LYS H . 54 LYS+ HN 1 1
672 1 2 1 1 55 SER HB3 . 55 SER HB3 1 1
673 1 1 1 1 54 LYS H . 54 LYS+ HN 1 1
673 1 2 1 1 56 ASN H . 56 ASN HN 1 1
674 1 1 1 1 54 LYS HA . 54 LYS+ HA 1 1
674 1 2 1 1 54 LYS QD . 54 LYS+ HD3 1 1
675 1 1 1 1 54 LYS HA . 54 LYS+ HA 1 1
675 1 2 1 1 54 LYS QG . 54 LYS+ HG2 1 1
676 1 1 1 1 54 LYS HB2 . 54 LYS+ HB2 1 1
676 1 2 1 1 54 LYS QD . 54 LYS+ HD2 1 1
677 1 1 1 1 54 LYS HB2 . 54 LYS+ HB2 1 1
677 1 2 1 1 54 LYS QG . 54 LYS+ HG3 1 1
678 1 1 1 1 54 LYS HB2 . 54 LYS+ HB2 1 1
678 1 2 1 1 55 SER H . 55 SER HN 1 1
679 1 1 1 1 54 LYS HB2 . 54 LYS+ HB2 1 1
679 1 2 1 1 56 ASN H . 56 ASN HN 1 1
680 1 1 1 1 54 LYS HB3 . 54 LYS+ HB3 1 1
680 1 2 1 1 54 LYS QG . 54 LYS+ HG2 1 1
681 1 1 1 1 54 LYS HB3 . 54 LYS+ HB3 1 1
681 1 2 1 1 55 SER H . 55 SER HN 1 1
682 1 1 1 1 54 LYS QG . 54 LYS+ HG3 1 1
682 1 2 1 1 55 SER H . 55 SER HN 1 1
683 1 1 1 1 55 SER H . 55 SER HN 1 1
683 1 2 1 1 55 SER HB3 . 55 SER HB3 1 1
684 1 1 1 1 55 SER H . 55 SER HN 1 1
684 1 2 1 1 56 ASN QB . 56 ASN QB 1 1
685 1 1 1 1 55 SER H . 55 SER HN 1 1
685 1 2 1 1 56 ASN QD . 56 ASN HD21 1 1
686 1 1 1 1 55 SER HB2 . 55 SER HB2 1 1
686 1 2 1 1 56 ASN H . 56 ASN HN 1 1
687 1 1 1 1 55 SER HB3 . 55 SER HB3 1 1
687 1 2 1 1 56 ASN H . 56 ASN HN 1 1
688 1 1 1 1 55 SER HB3 . 55 SER HB3 1 1
688 1 2 1 1 56 ASN QD . 56 ASN HD21 1 1
689 1 1 1 1 56 ASN H . 56 ASN HN 1 1
689 1 2 1 1 56 ASN QD . 56 ASN HD21 1 1
690 1 1 1 1 56 ASN H . 56 ASN HN 1 1
690 1 2 1 1 57 ASN H . 57 ASN HN 1 1
691 1 1 1 1 56 ASN H . 56 ASN HN 1 1
691 1 2 1 1 58 GLY H . 58 GLY HN 1 1
692 1 1 1 1 56 ASN HA . 56 ASN HA 1 1
692 1 2 1 1 57 ASN H . 57 ASN HN 1 1
693 1 1 1 1 56 ASN QB . 56 ASN QB 1 1
693 1 2 1 1 57 ASN H . 57 ASN HN 1 1
694 1 1 1 1 56 ASN QB . 56 ASN QB 1 1
694 1 2 1 1 58 GLY H . 58 GLY HN 1 1
695 1 1 1 1 56 ASN QD . 56 ASN HD21 1 1
695 1 2 1 1 57 ASN H . 57 ASN HN 1 1
696 1 1 1 1 56 ASN QD . 56 ASN HD21 1 1
696 1 2 1 1 57 ASN QD . 57 ASN HD21 1 1
697 1 1 1 1 57 ASN H . 57 ASN HN 1 1
697 1 2 1 1 57 ASN HB2 . 57 ASN HB2 1 1
698 1 1 1 1 57 ASN H . 57 ASN HN 1 1
698 1 2 1 1 57 ASN HB3 . 57 ASN HB3 1 1
699 1 1 1 1 57 ASN H . 57 ASN HN 1 1
699 1 2 1 1 57 ASN QD . 57 ASN HD21 1 1
700 1 1 1 1 57 ASN H . 57 ASN HN 1 1
700 1 2 1 1 58 GLY H . 58 GLY HN 1 1
701 1 1 1 1 57 ASN HA . 57 ASN HA 1 1
701 1 2 1 1 58 GLY H . 58 GLY HN 1 1
702 1 1 1 1 57 ASN HB2 . 57 ASN HB2 1 1
702 1 2 1 1 58 GLY H . 58 GLY HN 1 1
703 1 1 1 1 57 ASN HB3 . 57 ASN HB3 1 1
703 1 2 1 1 57 ASN QD . 57 ASN HD21 1 1
704 1 1 1 1 57 ASN HB3 . 57 ASN HB3 1 1
704 1 2 1 1 58 GLY H . 58 GLY HN 1 1
705 1 1 1 1 59 PRO HA . 59 PRO HA 1 1
705 1 2 1 1 60 THR H . 60 THR HN 1 1
706 1 1 1 1 59 PRO HA . 59 PRO HA 1 1
706 1 2 1 1 61 LYS H . 61 LYS+ HN 1 1
707 1 1 1 1 59 PRO HB2 . 59 PRO HB2 1 1
707 1 2 1 1 60 THR H . 60 THR HN 1 1
708 1 1 1 1 59 PRO HB2 . 59 PRO HB2 1 1
708 1 2 1 1 64 GLY H . 64 GLY HN 1 1
709 1 1 1 1 59 PRO HB2 . 59 PRO HB2 1 1
709 1 2 1 1 64 GLY HA2 . 64 GLY HA1 1 1
710 1 1 1 1 59 PRO HB2 . 59 PRO HB2 1 1
710 1 2 1 1 64 GLY HA3 . 64 GLY HA2 1 1
711 1 1 1 1 59 PRO HB2 . 59 PRO HB2 1 1
711 1 2 1 1 65 CYS H . 65 CYSS HN 1 1
712 1 1 1 1 59 PRO HB3 . 59 PRO HB3 1 1
712 1 2 1 1 64 GLY HA2 . 64 GLY HA1 1 1
713 1 1 1 1 60 THR H . 60 THR HN 1 1
713 1 2 1 1 61 LYS H . 61 LYS+ HN 1 1
714 1 1 1 1 60 THR HA . 60 THR HA 1 1
714 1 2 1 1 61 LYS H . 61 LYS+ HN 1 1
715 1 1 1 1 60 THR HB . 60 THR HB 1 1
715 1 2 1 1 61 LYS H . 61 LYS+ HN 1 1
716 1 1 1 1 61 LYS H . 61 LYS+ HN 1 1
716 1 2 1 1 61 LYS HB2 . 61 LYS+ HB3 1 1
717 1 1 1 1 61 LYS H . 61 LYS+ HN 1 1
717 1 2 1 1 61 LYS HB3 . 61 LYS+ HB2 1 1
718 1 1 1 1 61 LYS H . 61 LYS+ HN 1 1
718 1 2 1 1 62 CYS H . 62 CYSS HN 1 1
719 1 1 1 1 61 LYS H . 61 LYS+ HN 1 1
719 1 2 1 1 64 GLY H . 64 GLY HN 1 1
720 1 1 1 1 61 LYS HA . 61 LYS+ HA 1 1
720 1 2 1 1 62 CYS H . 62 CYSS HN 1 1
721 1 1 1 1 61 LYS HA . 61 LYS+ HA 1 1
721 1 2 1 1 62 CYS HB2 . 62 CYSS HB2 1 1
722 1 1 1 1 61 LYS HB2 . 61 LYS+ HB3 1 1
722 1 2 1 1 62 CYS H . 62 CYSS HN 1 1
723 1 1 1 1 61 LYS HB2 . 61 LYS+ HB3 1 1
723 1 2 1 1 63 GLY H . 63 GLY HN 1 1
724 1 1 1 1 61 LYS HB3 . 61 LYS+ HB2 1 1
724 1 2 1 1 62 CYS H . 62 CYSS HN 1 1
725 1 1 1 1 61 LYS HB3 . 61 LYS+ HB2 1 1
725 1 2 1 1 63 GLY H . 63 GLY HN 1 1
726 1 1 1 1 61 LYS HB3 . 61 LYS+ HB2 1 1
726 1 2 1 1 64 GLY H . 64 GLY HN 1 1
727 1 1 1 1 61 LYS QG . 61 LYS+ QG 1 1
727 1 2 1 1 62 CYS H . 62 CYSS HN 1 1
728 1 1 1 1 62 CYS H . 62 CYSS HN 1 1
728 1 2 1 1 62 CYS HB2 . 62 CYSS HB2 1 1
729 1 1 1 1 62 CYS H . 62 CYSS HN 1 1
729 1 2 1 1 62 CYS HB3 . 62 CYSS HB3 1 1
730 1 1 1 1 62 CYS H . 62 CYSS HN 1 1
730 1 2 1 1 63 GLY H . 63 GLY HN 1 1
731 1 1 1 1 62 CYS H . 62 CYSS HN 1 1
731 1 2 1 1 64 GLY H . 64 GLY HN 1 1
732 1 1 1 1 62 CYS HA . 62 CYSS HA 1 1
732 1 2 1 1 62 CYS HB3 . 62 CYSS HB3 1 1
733 1 1 1 1 62 CYS HA . 62 CYSS HA 1 1
733 1 2 1 1 63 GLY H . 63 GLY HN 1 1
734 1 1 1 1 62 CYS HA . 62 CYSS HA 1 1
734 1 2 1 1 63 GLY HA2 . 63 GLY HA1 1 1
735 1 1 1 1 62 CYS HA . 62 CYSS HA 1 1
735 1 2 1 1 63 GLY HA3 . 63 GLY HA2 1 1
736 1 1 1 1 62 CYS HB2 . 62 CYSS HB2 1 1
736 1 2 1 1 63 GLY H . 63 GLY HN 1 1
737 1 1 1 1 62 CYS HB2 . 62 CYSS HB2 1 1
737 1 2 1 1 64 GLY H . 64 GLY HN 1 1
738 1 1 1 1 62 CYS HB2 . 62 CYSS HB2 1 1
738 1 2 1 1 65 CYS H . 65 CYSS HN 1 1
739 1 1 1 1 62 CYS HB3 . 62 CYSS HB3 1 1
739 1 2 1 1 63 GLY H . 63 GLY HN 1 1
740 1 1 1 1 62 CYS HB3 . 62 CYSS HB3 1 1
740 1 2 1 1 63 GLY HA3 . 63 GLY HA2 1 1
741 1 1 1 1 63 GLY H . 63 GLY HN 1 1
741 1 2 1 1 64 GLY H . 64 GLY HN 1 1
742 1 1 1 1 63 GLY HA2 . 63 GLY HA1 1 1
742 1 2 1 1 64 GLY H . 64 GLY HN 1 1
743 1 1 1 1 63 GLY HA2 . 63 GLY HA1 1 1
743 1 2 1 1 65 CYS H . 65 CYSS HN 1 1
744 1 1 1 1 63 GLY HA3 . 63 GLY HA2 1 1
744 1 2 1 1 64 GLY H . 64 GLY HN 1 1
745 1 1 1 1 63 GLY HA3 . 63 GLY HA2 1 1
745 1 2 1 1 65 CYS H . 65 CYSS HN 1 1
746 1 1 1 1 64 GLY H . 64 GLY HN 1 1
746 1 2 1 1 64 GLY HA3 . 64 GLY HA2 1 1
747 1 1 1 1 64 GLY H . 64 GLY HN 1 1
747 1 2 1 1 65 CYS H . 65 CYSS HN 1 1
748 1 1 1 1 64 GLY HA3 . 64 GLY HA2 1 1
748 1 2 1 1 65 CYS H . 65 CYSS HN 1 1
749 1 1 1 1 67 ILE H . 67 ILE HN 1 1
749 1 2 1 1 67 ILE HB . 67 ILE HB 1 1
750 1 1 1 1 67 ILE H . 67 ILE HN 1 1
750 1 2 1 1 67 ILE HG12 . 67 ILE HG12 1 1
751 1 1 1 1 67 ILE H . 67 ILE HN 1 1
751 1 2 1 1 67 ILE HG13 . 67 ILE HG13 1 1
752 1 1 1 1 67 ILE H . 67 ILE HN 1 1
752 1 2 1 1 68 LYS H . 68 LYS+ HN 1 1
753 1 1 1 1 67 ILE HA . 67 ILE HA 1 1
753 1 2 1 1 67 ILE MD . 67 ILE QD1 1 1
754 1 1 1 1 67 ILE HA . 67 ILE HA 1 1
754 1 2 1 1 67 ILE HG12 . 67 ILE HG12 1 1
755 1 1 1 1 67 ILE HA . 67 ILE HA 1 1
755 1 2 1 1 67 ILE HG13 . 67 ILE HG13 1 1
756 1 1 1 1 67 ILE HA . 67 ILE HA 1 1
756 1 2 1 1 68 LYS H . 68 LYS+ HN 1 1
757 1 1 1 1 67 ILE HB . 67 ILE HB 1 1
757 1 2 1 1 68 LYS H . 68 LYS+ HN 1 1
758 1 1 1 1 67 ILE HB . 67 ILE HB 1 1
758 1 2 1 1 68 LYS HA . 68 LYS+ HA 1 1
759 1 1 1 1 67 ILE MD . 67 ILE QD1 1 1
759 1 2 1 1 68 LYS H . 68 LYS+ HN 1 1
760 1 1 1 1 67 ILE QG . 67 ILE QG1 1 1
760 1 2 1 1 68 LYS H . 68 LYS+ HN 1 1
761 1 1 1 1 68 LYS H . 68 LYS+ HN 1 1
761 1 2 1 1 68 LYS HB2 . 68 LYS+ HB2 1 1
762 1 1 1 1 68 LYS H . 68 LYS+ HN 1 1
762 1 2 1 1 68 LYS HB3 . 68 LYS+ HB3 1 1
763 1 1 1 1 68 LYS H . 68 LYS+ HN 1 1
763 1 2 1 1 68 LYS HG3 . 68 LYS+ HG2 1 1
764 1 1 1 1 68 LYS HA . 68 LYS+ HA 1 1
764 1 2 1 1 68 LYS HG3 . 68 LYS+ HG2 1 1
765 1 1 1 1 68 LYS HB2 . 68 LYS+ HB2 1 1
765 1 2 1 1 68 LYS HG3 . 68 LYS+ HG2 1 1
766 1 1 1 1 68 LYS HB3 . 68 LYS+ HB3 1 1
766 1 2 1 1 68 LYS HG3 . 68 LYS+ HG2 1 1
stop_
loop_
_Dist_constraint_value.Constraint_ID
_Dist_constraint_value.Tree_node_ID
_Dist_constraint_value.Source_experiment_ID
_Dist_constraint_value.Spectral_peak_ID
_Dist_constraint_value.Intensity_val
_Dist_constraint_value.Intensity_lower_val_err
_Dist_constraint_value.Intensity_upper_val_err
_Dist_constraint_value.Distance_val
_Dist_constraint_value.Distance_lower_bound_val
_Dist_constraint_value.Distance_upper_bound_val
_Dist_constraint_value.Entry_ID
_Dist_constraint_value.Distance_constraint_list_ID
1 1 . . . . . . . 6.5 1 1
2 1 . . . . . . . 5.5 1 1
3 1 . . . . . . . 4.4 1 1
4 1 . . . . . . . 6.5 1 1
5 1 . . . . . . . 4.7 1 1
6 1 . . . . . . . 4.9 1 1
7 1 . . . . . . . 4.0 1 1
8 1 . . . . . . . 3.4 1 1
9 1 . . . . . . . 4.4 1 1
10 1 . . . . . . . 3.8 1 1
11 1 . . . . . . . 4.2 1 1
12 1 . . . . . . . 6.5 1 1
13 1 . . . . . . . 5.4 1 1
14 1 . . . . . . . 5.5 1 1
15 1 . . . . . . . 5.5 1 1
16 1 . . . . . . . 4.3 1 1
17 1 . . . . . . . 4.0 1 1
18 1 . . . . . . . 6.4 1 1
19 1 . . . . . . . 3.4 1 1
20 1 . . . . . . . 4.5 1 1
21 1 . . . . . . . 6.5 1 1
22 1 . . . . . . . 5.5 1 1
23 1 . . . . . . . 5.5 1 1
24 1 . . . . . . . 5.1 1 1
25 1 . . . . . . . 2.7 1 1
26 1 . . . . . . . 4.8 1 1
27 1 . . . . . . . 6.5 1 1
28 1 . . . . . . . 3.0 1 1
29 1 . . . . . . . 5.5 1 1
30 1 . . . . . . . 3.2 1 1
31 1 . . . . . . . 5.5 1 1
32 1 . . . . . . . 5.3 1 1
33 1 . . . . . . . 5.5 1 1
34 1 . . . . . . . 5.7 1 1
35 1 . . . . . . . 5.8 1 1
36 1 . . . . . . . 6.2 1 1
37 1 . . . . . . . 6.5 1 1
38 1 . . . . . . . 6.5 1 1
39 1 . . . . . . . 6.5 1 1
40 1 . . . . . . . 7.2 1 1
41 1 . . . . . . . 5.5 1 1
42 1 . . . . . . . 6.5 1 1
43 1 . . . . . . . 6.5 1 1
44 1 . . . . . . . 6.5 1 1
45 1 . . . . . . . 3.5 1 1
46 1 . . . . . . . 5.5 1 1
47 1 . . . . . . . 5.5 1 1
48 1 . . . . . . . 3.8 1 1
49 1 . . . . . . . 3.8 1 1
50 1 . . . . . . . 5.5 1 1
51 1 . . . . . . . 5.5 1 1
52 1 . . . . . . . 5.5 1 1
53 1 . . . . . . . 5.3 1 1
54 1 . . . . . . . 7.5 1 1
55 1 . . . . . . . 7.5 1 1
56 1 . . . . . . . 4.4 1 1
57 1 . . . . . . . 3.6 1 1
58 1 . . . . . . . 5.5 1 1
59 1 . . . . . . . 6.5 1 1
60 1 . . . . . . . 6.5 1 1
61 1 . . . . . . . 8.5 1 1
62 1 . . . . . . . 8.5 1 1
63 1 . . . . . . . 6.5 1 1
64 1 . . . . . . . 5.8 1 1
65 1 . . . . . . . 8.5 1 1
66 1 . . . . . . . 8.5 1 1
67 1 . . . . . . . 6.5 1 1
68 1 . . . . . . . 6.5 1 1
69 1 . . . . . . . 6.5 1 1
70 1 . . . . . . . 6.5 1 1
71 1 . . . . . . . 6.5 1 1
72 1 . . . . . . . 6.5 1 1
73 1 . . . . . . . 3.8 1 1
74 1 . . . . . . . 5.5 1 1
75 1 . . . . . . . 7.5 1 1
76 1 . . . . . . . 3.1 1 1
77 1 . . . . . . . 5.2 1 1
78 1 . . . . . . . 5.5 1 1
79 1 . . . . . . . 5.1 1 1
80 1 . . . . . . . 3.9 1 1
81 1 . . . . . . . 6.5 1 1
82 1 . . . . . . . 4.2 1 1
83 1 . . . . . . . 5.0 1 1
84 1 . . . . . . . 5.5 1 1
85 1 . . . . . . . 5.7 1 1
86 1 . . . . . . . 6.5 1 1
87 1 . . . . . . . 6.5 1 1
88 1 . . . . . . . 6.4 1 1
89 1 . . . . . . . 6.1 1 1
90 1 . . . . . . . 5.2 1 1
91 1 . . . . . . . 5.6 1 1
92 1 . . . . . . . 6.1 1 1
93 1 . . . . . . . 6.4 1 1
94 1 . . . . . . . 6.5 1 1
95 1 . . . . . . . 5.8 1 1
96 1 . . . . . . . 7.5 1 1
97 1 . . . . . . . 6.4 1 1
98 1 . . . . . . . 7.5 1 1
99 1 . . . . . . . 7.5 1 1
100 1 . . . . . . . 8.5 1 1
101 1 . . . . . . . 8.5 1 1
102 1 . . . . . . . 7.4 1 1
103 1 . . . . . . . 7.5 1 1
104 1 . . . . . . . 7.5 1 1
105 1 . . . . . . . 6.5 1 1
106 1 . . . . . . . 8.5 1 1
107 1 . . . . . . . 8.5 1 1
108 1 . . . . . . . 9.5 1 1
109 1 . . . . . . . 6.2 1 1
110 1 . . . . . . . 6.6 1 1
111 1 . . . . . . . 7.5 1 1
112 1 . . . . . . . 6.7 1 1
113 1 . . . . . . . 8.5 1 1
114 1 . . . . . . . 7.5 1 1
115 1 . . . . . . . 7.5 1 1
116 1 . . . . . . . 8.5 1 1
117 1 . . . . . . . 3.5 1 1
118 1 . . . . . . . 5.5 1 1
119 1 . . . . . . . 5.2 1 1
120 1 . . . . . . . 5.5 1 1
121 1 . . . . . . . 3.4 1 1
122 1 . . . . . . . 5.5 1 1
123 1 . . . . . . . 6.5 1 1
124 1 . . . . . . . 6.5 1 1
125 1 . . . . . . . 4.5 1 1
126 1 . . . . . . . 4.7 1 1
127 1 . . . . . . . 6.5 1 1
128 1 . . . . . . . 4.1 1 1
129 1 . . . . . . . 5.1 1 1
130 1 . . . . . . . 5.3 1 1
131 1 . . . . . . . 5.0 1 1
132 1 . . . . . . . 5.5 1 1
133 1 . . . . . . . 4.5 1 1
134 1 . . . . . . . 4.0 1 1
135 1 . . . . . . . 5.5 1 1
136 1 . . . . . . . 5.5 1 1
137 1 . . . . . . . 6.5 1 1
138 1 . . . . . . . 3.7 1 1
139 1 . . . . . . . 4.0 1 1
140 1 . . . . . . . 5.0 1 1
141 1 . . . . . . . 3.9 1 1
142 1 . . . . . . . 5.5 1 1
143 1 . . . . . . . 3.7 1 1
144 1 . . . . . . . 3.2 1 1
145 1 . . . . . . . 4.7 1 1
146 1 . . . . . . . 5.5 1 1
147 1 . . . . . . . 3.4 1 1
148 1 . . . . . . . 4.4 1 1
149 1 . . . . . . . 5.5 1 1
150 1 . . . . . . . 5.5 1 1
151 1 . . . . . . . 5.1 1 1
152 1 . . . . . . . 2.9 1 1
153 1 . . . . . . . 5.2 1 1
154 1 . . . . . . . 2.8 1 1
155 1 . . . . . . . 4.7 1 1
156 1 . . . . . . . 4.8 1 1
157 1 . . . . . . . 4.5 1 1
158 1 . . . . . . . 5.5 1 1
159 1 . . . . . . . 4.4 1 1
160 1 . . . . . . . 5.1 1 1
161 1 . . . . . . . 4.7 1 1
162 1 . . . . . . . 4.5 1 1
163 1 . . . . . . . 5.5 1 1
164 1 . . . . . . . 4.4 1 1
165 1 . . . . . . . 4.8 1 1
166 1 . . . . . . . 3.1 1 1
167 1 . . . . . . . 4.6 1 1
168 1 . . . . . . . 4.9 1 1
169 1 . . . . . . . 3.3 1 1
170 1 . . . . . . . 3.4 1 1
171 1 . . . . . . . 4.9 1 1
172 1 . . . . . . . 5.5 1 1
173 1 . . . . . . . 4.3 1 1
174 1 . . . . . . . 3.7 1 1
175 1 . . . . . . . 5.5 1 1
176 1 . . . . . . . 5.5 1 1
177 1 . . . . . . . 3.9 1 1
178 1 . . . . . . . 3.9 1 1
179 1 . . . . . . . 5.2 1 1
180 1 . . . . . . . 6.5 1 1
181 1 . . . . . . . 5.4 1 1
182 1 . . . . . . . 3.9 1 1
183 1 . . . . . . . 4.3 1 1
184 1 . . . . . . . 4.7 1 1
185 1 . . . . . . . 6.5 1 1
186 1 . . . . . . . 3.3 1 1
187 1 . . . . . . . 3.9 1 1
188 1 . . . . . . . 5.0 1 1
189 1 . . . . . . . 4.3 1 1
190 1 . . . . . . . 5.5 1 1
191 1 . . . . . . . 4.2 1 1
192 1 . . . . . . . 5.3 1 1
193 1 . . . . . . . 3.2 1 1
194 1 . . . . . . . 5.5 1 1
195 1 . . . . . . . 5.6 1 1
196 1 . . . . . . . 4.4 1 1
197 1 . . . . . . . 3.1 1 1
198 1 . . . . . . . 5.3 1 1
199 1 . . . . . . . 4.5 1 1
200 1 . . . . . . . 4.5 1 1
201 1 . . . . . . . 5.5 1 1
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203 1 . . . . . . . 4.2 1 1
204 1 . . . . . . . 3.6 1 1
205 1 . . . . . . . 5.5 1 1
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207 1 . . . . . . . 5.0 1 1
208 1 . . . . . . . 4.6 1 1
209 1 . . . . . . . 2.8 1 1
210 1 . . . . . . . 6.5 1 1
211 1 . . . . . . . 3.8 1 1
212 1 . . . . . . . 3.6 1 1
213 1 . . . . . . . 4.3 1 1
214 1 . . . . . . . 4.1 1 1
215 1 . . . . . . . 5.5 1 1
216 1 . . . . . . . 4.3 1 1
217 1 . . . . . . . 4.5 1 1
218 1 . . . . . . . 4.5 1 1
219 1 . . . . . . . 5.5 1 1
220 1 . . . . . . . 2.8 1 1
221 1 . . . . . . . 5.5 1 1
222 1 . . . . . . . 4.7 1 1
223 1 . . . . . . . 4.3 1 1
224 1 . . . . . . . 5.4 1 1
225 1 . . . . . . . 6.5 1 1
226 1 . . . . . . . 8.5 1 1
227 1 . . . . . . . 5.2 1 1
228 1 . . . . . . . 8.5 1 1
229 1 . . . . . . . 8.5 1 1
230 1 . . . . . . . 6.5 1 1
231 1 . . . . . . . 6.5 1 1
232 1 . . . . . . . 6.5 1 1
233 1 . . . . . . . 6.5 1 1
234 1 . . . . . . . 3.4 1 1
235 1 . . . . . . . 3.4 1 1
236 1 . . . . . . . 2.9 1 1
237 1 . . . . . . . 4.4 1 1
238 1 . . . . . . . 4.8 1 1
239 1 . . . . . . . 5.4 1 1
240 1 . . . . . . . 6.5 1 1
241 1 . . . . . . . 6.5 1 1
242 1 . . . . . . . 7.0 1 1
243 1 . . . . . . . 8.5 1 1
244 1 . . . . . . . 7.5 1 1
245 1 . . . . . . . 7.5 1 1
246 1 . . . . . . . 8.5 1 1
247 1 . . . . . . . 8.5 1 1
248 1 . . . . . . . 3.5 1 1
249 1 . . . . . . . 5.5 1 1
250 1 . . . . . . . 3.9 1 1
251 1 . . . . . . . 5.5 1 1
252 1 . . . . . . . 6.5 1 1
253 1 . . . . . . . 3.9 1 1
254 1 . . . . . . . 4.8 1 1
255 1 . . . . . . . 2.9 1 1
256 1 . . . . . . . 5.5 1 1
257 1 . . . . . . . 4.7 1 1
258 1 . . . . . . . 3.8 1 1
259 1 . . . . . . . 5.5 1 1
260 1 . . . . . . . 4.8 1 1
261 1 . . . . . . . 5.5 1 1
262 1 . . . . . . . 6.1 1 1
263 1 . . . . . . . 5.5 1 1
264 1 . . . . . . . 5.5 1 1
265 1 . . . . . . . 5.5 1 1
266 1 . . . . . . . 3.7 1 1
267 1 . . . . . . . 3.5 1 1
268 1 . . . . . . . 3.3 1 1
269 1 . . . . . . . 5.1 1 1
270 1 . . . . . . . 5.5 1 1
271 1 . . . . . . . 4.4 1 1
272 1 . . . . . . . 5.5 1 1
273 1 . . . . . . . 5.5 1 1
274 1 . . . . . . . 5.5 1 1
275 1 . . . . . . . 5.5 1 1
276 1 . . . . . . . 3.3 1 1
277 1 . . . . . . . 3.2 1 1
278 1 . . . . . . . 3.2 1 1
279 1 . . . . . . . 5.5 1 1
280 1 . . . . . . . 5.5 1 1
281 1 . . . . . . . 3.5 1 1
282 1 . . . . . . . 5.5 1 1
283 1 . . . . . . . 6.0 1 1
284 1 . . . . . . . 5.0 1 1
285 1 . . . . . . . 5.5 1 1
286 1 . . . . . . . 6.0 1 1
287 1 . . . . . . . 5.5 1 1
288 1 . . . . . . . 4.1 1 1
289 1 . . . . . . . 3.3 1 1
290 1 . . . . . . . 4.4 1 1
291 1 . . . . . . . 5.5 1 1
292 1 . . . . . . . 5.2 1 1
293 1 . . . . . . . 3.8 1 1
294 1 . . . . . . . 5.5 1 1
295 1 . . . . . . . 3.9 1 1
296 1 . . . . . . . 2.8 1 1
297 1 . . . . . . . 3.4 1 1
298 1 . . . . . . . 6.5 1 1
299 1 . . . . . . . 6.5 1 1
300 1 . . . . . . . 6.5 1 1
301 1 . . . . . . . 4.9 1 1
302 1 . . . . . . . 5.5 1 1
303 1 . . . . . . . 3.3 1 1
304 1 . . . . . . . 3.5 1 1
305 1 . . . . . . . 5.5 1 1
306 1 . . . . . . . 5.5 1 1
307 1 . . . . . . . 4.9 1 1
308 1 . . . . . . . 5.5 1 1
309 1 . . . . . . . 4.5 1 1
310 1 . . . . . . . 5.5 1 1
311 1 . . . . . . . 4.6 1 1
312 1 . . . . . . . 3.2 1 1
313 1 . . . . . . . 4.3 1 1
314 1 . . . . . . . 5.2 1 1
315 1 . . . . . . . 5.5 1 1
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317 1 . . . . . . . 3.6 1 1
318 1 . . . . . . . 6.5 1 1
319 1 . . . . . . . 6.4 1 1
320 1 . . . . . . . 4.1 1 1
321 1 . . . . . . . 3.4 1 1
322 1 . . . . . . . 5.7 1 1
323 1 . . . . . . . 5.5 1 1
324 1 . . . . . . . 5.5 1 1
325 1 . . . . . . . 5.5 1 1
326 1 . . . . . . . 5.5 1 1
327 1 . . . . . . . 5.2 1 1
328 1 . . . . . . . 5.1 1 1
329 1 . . . . . . . 5.3 1 1
330 1 . . . . . . . 5.5 1 1
331 1 . . . . . . . 5.5 1 1
332 1 . . . . . . . 6.5 1 1
333 1 . . . . . . . 4.3 1 1
334 1 . . . . . . . 6.5 1 1
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337 1 . . . . . . . 3.3 1 1
338 1 . . . . . . . 3.7 1 1
339 1 . . . . . . . 5.5 1 1
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341 1 . . . . . . . 5.5 1 1
342 1 . . . . . . . 4.2 1 1
343 1 . . . . . . . 5.1 1 1
344 1 . . . . . . . 4.7 1 1
345 1 . . . . . . . 4.7 1 1
346 1 . . . . . . . 4.5 1 1
347 1 . . . . . . . 5.5 1 1
348 1 . . . . . . . 3.7 1 1
349 1 . . . . . . . 5.6 1 1
350 1 . . . . . . . 6.5 1 1
351 1 . . . . . . . 6.5 1 1
352 1 . . . . . . . 6.5 1 1
353 1 . . . . . . . 6.5 1 1
354 1 . . . . . . . 6.4 1 1
355 1 . . . . . . . 6.2 1 1
356 1 . . . . . . . 6.5 1 1
357 1 . . . . . . . 6.5 1 1
358 1 . . . . . . . 3.3 1 1
359 1 . . . . . . . 3.7 1 1
360 1 . . . . . . . 4.2 1 1
361 1 . . . . . . . 3.5 1 1
362 1 . . . . . . . 3.5 1 1
363 1 . . . . . . . 5.5 1 1
364 1 . . . . . . . 3.6 1 1
365 1 . . . . . . . 4.4 1 1
366 1 . . . . . . . 5.5 1 1
367 1 . . . . . . . 2.9 1 1
368 1 . . . . . . . 2.6 1 1
369 1 . . . . . . . 3.6 1 1
370 1 . . . . . . . 4.0 1 1
371 1 . . . . . . . 5.5 1 1
372 1 . . . . . . . 3.5 1 1
373 1 . . . . . . . 3.5 1 1
374 1 . . . . . . . 4.6 1 1
375 1 . . . . . . . 4.7 1 1
376 1 . . . . . . . 3.7 1 1
377 1 . . . . . . . 3.2 1 1
378 1 . . . . . . . 5.5 1 1
379 1 . . . . . . . 5.2 1 1
380 1 . . . . . . . 6.5 1 1
381 1 . . . . . . . 5.4 1 1
382 1 . . . . . . . 4.9 1 1
383 1 . . . . . . . 5.5 1 1
384 1 . . . . . . . 3.6 1 1
385 1 . . . . . . . 3.9 1 1
386 1 . . . . . . . 4.6 1 1
387 1 . . . . . . . 3.7 1 1
388 1 . . . . . . . 3.9 1 1
389 1 . . . . . . . 5.5 1 1
390 1 . . . . . . . 3.8 1 1
391 1 . . . . . . . 3.9 1 1
392 1 . . . . . . . 4.0 1 1
393 1 . . . . . . . 5.5 1 1
394 1 . . . . . . . 6.5 1 1
395 1 . . . . . . . 6.5 1 1
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397 1 . . . . . . . 5.4 1 1
398 1 . . . . . . . 3.4 1 1
399 1 . . . . . . . 3.9 1 1
400 1 . . . . . . . 3.3 1 1
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402 1 . . . . . . . 5.2 1 1
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435 1 . . . . . . . 5.1 1 1
436 1 . . . . . . . 5.5 1 1
437 1 . . . . . . . 4.2 1 1
438 1 . . . . . . . 6.5 1 1
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443 1 . . . . . . . 3.3 1 1
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447 1 . . . . . . . 6.5 1 1
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468 1 . . . . . . . 6.5 1 1
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470 1 . . . . . . . 5.5 1 1
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475 1 . . . . . . . 2.9 1 1
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478 1 . . . . . . . 3.1 1 1
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480 1 . . . . . . . 3.9 1 1
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484 1 . . . . . . . 5.5 1 1
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487 1 . . . . . . . 5.1 1 1
488 1 . . . . . . . 3.5 1 1
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501 1 . . . . . . . 4.9 1 1
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504 1 . . . . . . . 6.9 1 1
505 1 . . . . . . . 4.9 1 1
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508 1 . . . . . . . 4.9 1 1
509 1 . . . . . . . 2.8 1 1
510 1 . . . . . . . 5.2 1 1
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512 1 . . . . . . . 6.5 1 1
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520 1 . . . . . . . 4.9 1 1
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568 1 . . . . . . . 3.8 1 1
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618 1 . . . . . . . 4.4 1 1
619 1 . . . . . . . 4.6 1 1
620 1 . . . . . . . 5.8 1 1
621 1 . . . . . . . 5.5 1 1
622 1 . . . . . . . 5.5 1 1
623 1 . . . . . . . 3.0 1 1
624 1 . . . . . . . 3.7 1 1
625 1 . . . . . . . 4.5 1 1
626 1 . . . . . . . 4.7 1 1
627 1 . . . . . . . 3.4 1 1
628 1 . . . . . . . 2.9 1 1
629 1 . . . . . . . 3.0 1 1
630 1 . . . . . . . 5.5 1 1
631 1 . . . . . . . 5.1 1 1
632 1 . . . . . . . 3.9 1 1
633 1 . . . . . . . 3.5 1 1
634 1 . . . . . . . 3.1 1 1
635 1 . . . . . . . 3.1 1 1
636 1 . . . . . . . 6.3 1 1
637 1 . . . . . . . 4.7 1 1
638 1 . . . . . . . 3.8 1 1
639 1 . . . . . . . 6.0 1 1
640 1 . . . . . . . 5.1 1 1
641 1 . . . . . . . 4.3 1 1
642 1 . . . . . . . 3.3 1 1
643 1 . . . . . . . 5.5 1 1
644 1 . . . . . . . 6.3 1 1
645 1 . . . . . . . 4.7 1 1
646 1 . . . . . . . 3.3 1 1
647 1 . . . . . . . 5.5 1 1
648 1 . . . . . . . 5.5 1 1
649 1 . . . . . . . 3.9 1 1
650 1 . . . . . . . 2.9 1 1
651 1 . . . . . . . 4.0 1 1
652 1 . . . . . . . 4.2 1 1
653 1 . . . . . . . 3.3 1 1
654 1 . . . . . . . 3.4 1 1
655 1 . . . . . . . 3.7 1 1
656 1 . . . . . . . 3.3 1 1
657 1 . . . . . . . 3.9 1 1
658 1 . . . . . . . 4.7 1 1
659 1 . . . . . . . 5.1 1 1
660 1 . . . . . . . 5.5 1 1
661 1 . . . . . . . 5.5 1 1
662 1 . . . . . . . 3.8 1 1
663 1 . . . . . . . 6.0 1 1
664 1 . . . . . . . 5.5 1 1
665 1 . . . . . . . 3.3 1 1
666 1 . . . . . . . 4.1 1 1
667 1 . . . . . . . 3.2 1 1
668 1 . . . . . . . 3.6 1 1
669 1 . . . . . . . 5.5 1 1
670 1 . . . . . . . 3.9 1 1
671 1 . . . . . . . 4.1 1 1
672 1 . . . . . . . 4.9 1 1
673 1 . . . . . . . 4.8 1 1
674 1 . . . . . . . 2.8 1 1
675 1 . . . . . . . 3.1 1 1
676 1 . . . . . . . 2.6 1 1
677 1 . . . . . . . 2.4 1 1
678 1 . . . . . . . 4.0 1 1
679 1 . . . . . . . 5.0 1 1
680 1 . . . . . . . 2.5 1 1
681 1 . . . . . . . 5.5 1 1
682 1 . . . . . . . 5.5 1 1
683 1 . . . . . . . 3.7 1 1
684 1 . . . . . . . 6.2 1 1
685 1 . . . . . . . 5.5 1 1
686 1 . . . . . . . 5.4 1 1
687 1 . . . . . . . 4.0 1 1
688 1 . . . . . . . 5.5 1 1
689 1 . . . . . . . 5.5 1 1
690 1 . . . . . . . 4.2 1 1
691 1 . . . . . . . 5.5 1 1
692 1 . . . . . . . 5.5 1 1
693 1 . . . . . . . 4.4 1 1
694 1 . . . . . . . 6.5 1 1
695 1 . . . . . . . 5.5 1 1
696 1 . . . . . . . 4.7 1 1
697 1 . . . . . . . 4.2 1 1
698 1 . . . . . . . 3.8 1 1
699 1 . . . . . . . 5.5 1 1
700 1 . . . . . . . 4.2 1 1
701 1 . . . . . . . 4.6 1 1
702 1 . . . . . . . 5.5 1 1
703 1 . . . . . . . 3.3 1 1
704 1 . . . . . . . 5.5 1 1
705 1 . . . . . . . 5.5 1 1
706 1 . . . . . . . 5.5 1 1
707 1 . . . . . . . 4.7 1 1
708 1 . . . . . . . 3.9 1 1
709 1 . . . . . . . 4.2 1 1
710 1 . . . . . . . 3.5 1 1
711 1 . . . . . . . 5.5 1 1
712 1 . . . . . . . 4.6 1 1
713 1 . . . . . . . 4.1 1 1
714 1 . . . . . . . 4.2 1 1
715 1 . . . . . . . 5.5 1 1
716 1 . . . . . . . 3.3 1 1
717 1 . . . . . . . 4.1 1 1
718 1 . . . . . . . 5.5 1 1
719 1 . . . . . . . 5.0 1 1
720 1 . . . . . . . 3.3 1 1
721 1 . . . . . . . 5.2 1 1
722 1 . . . . . . . 4.3 1 1
723 1 . . . . . . . 5.5 1 1
724 1 . . . . . . . 3.9 1 1
725 1 . . . . . . . 5.5 1 1
726 1 . . . . . . . 5.5 1 1
727 1 . . . . . . . 6.4 1 1
728 1 . . . . . . . 3.9 1 1
729 1 . . . . . . . 4.4 1 1
730 1 . . . . . . . 5.4 1 1
731 1 . . . . . . . 5.3 1 1
732 1 . . . . . . . 2.6 1 1
733 1 . . . . . . . 3.9 1 1
734 1 . . . . . . . 5.0 1 1
735 1 . . . . . . . 5.1 1 1
736 1 . . . . . . . 5.5 1 1
737 1 . . . . . . . 5.5 1 1
738 1 . . . . . . . 5.5 1 1
739 1 . . . . . . . 5.0 1 1
740 1 . . . . . . . 5.5 1 1
741 1 . . . . . . . 4.3 1 1
742 1 . . . . . . . 4.8 1 1
743 1 . . . . . . . 5.5 1 1
744 1 . . . . . . . 4.2 1 1
745 1 . . . . . . . 5.5 1 1
746 1 . . . . . . . 3.1 1 1
747 1 . . . . . . . 3.2 1 1
748 1 . . . . . . . 4.3 1 1
749 1 . . . . . . . 3.3 1 1
750 1 . . . . . . . 4.0 1 1
751 1 . . . . . . . 3.5 1 1
752 1 . . . . . . . 4.9 1 1
753 1 . . . . . . . 4.6 1 1
754 1 . . . . . . . 3.9 1 1
755 1 . . . . . . . 4.0 1 1
756 1 . . . . . . . 2.9 1 1
757 1 . . . . . . . 4.9 1 1
758 1 . . . . . . . 5.0 1 1
759 1 . . . . . . . 6.5 1 1
760 1 . . . . . . . 5.7 1 1
761 1 . . . . . . . 4.1 1 1
762 1 . . . . . . . 3.6 1 1
763 1 . . . . . . . 3.5 1 1
764 1 . . . . . . . 3.2 1 1
765 1 . . . . . . . 2.5 1 1
766 1 . . . . . . . 3.0 1 1
stop_
save_
save_conformer_family_coord_set_1
_Conformer_family_coord_set.Sf_category conformer_family_coord_set
_Conformer_family_coord_set.Entry_ID 1
_Conformer_family_coord_set.ID 1
loop_
_Atom_site.Model_ID
_Atom_site.ID
_Atom_site.Label_entity_assembly_ID
_Atom_site.Label_entity_ID
_Atom_site.Label_comp_index_ID
_Atom_site.Label_comp_ID
_Atom_site.Label_atom_ID
_Atom_site.Type_symbol
_Atom_site.Cartn_x
_Atom_site.Cartn_y
_Atom_site.Cartn_z
_Atom_site.Occupancy
_Atom_site.Uncertainty
_Atom_site.PDBX_label_asym_ID
_Atom_site.PDB_strand_ID
_Atom_site.PDB_ins_code
_Atom_site.PDB_residue_no
_Atom_site.PDB_residue_name
_Atom_site.PDB_atom_name
_Atom_site.Entry_ID
_Atom_site.Conformer_family_coord_set_ID
1 1 1 1 1 ALA C C -9.902 -8.687 -1.430 1.00 . A A . 1 ALA C 1 1
1 2 1 1 1 ALA CA C -11.014 -8.340 -2.426 1.00 . A A . 1 ALA CA 1 1
1 3 1 1 1 ALA CB C -12.303 -9.102 -2.107 1.00 . A A . 1 ALA CB 1 1
1 4 1 1 1 ALA H1 H -10.567 -6.324 -2.883 1.00 . A A . 1 ALA H1 1 1
1 5 1 1 1 ALA H2 H -12.153 -6.609 -2.841 1.00 . A A . 1 ALA H2 1 1
1 6 1 1 1 ALA H3 H -11.295 -6.532 -1.464 1.00 . A A . 1 ALA H3 1 1
1 7 1 1 1 ALA HA H -10.685 -8.627 -3.426 1.00 . A A . 1 ALA HA 1 1
1 8 1 1 1 ALA HB1 H -12.121 -10.177 -2.141 1.00 . A A . 1 ALA HB1 1 1
1 9 1 1 1 ALA HB2 H -12.661 -8.832 -1.113 1.00 . A A . 1 ALA HB2 1 1
1 10 1 1 1 ALA HB3 H -13.068 -8.851 -2.844 1.00 . A A . 1 ALA HB3 1 1
1 11 1 1 1 ALA N N -11.264 -6.880 -2.412 1.00 . A A . 1 ALA N 1 1
1 12 1 1 1 ALA O O -9.573 -7.823 -0.623 1.00 . A A . 1 ALA O 1 1
1 13 1 1 2 ASP C C -6.865 -9.781 -1.415 1.00 . A A . 2 ASP C 1 1
1 14 1 1 2 ASP CA C -8.149 -10.274 -0.713 1.00 . A A . 2 ASP CA 1 1
1 15 1 1 2 ASP CB C -8.204 -11.787 -0.448 1.00 . A A . 2 ASP CB 1 1
1 16 1 1 2 ASP CG C -9.477 -12.161 0.296 1.00 . A A . 2 ASP CG 1 1
1 17 1 1 2 ASP H H -9.752 -10.626 -2.043 1.00 . A A . 2 ASP H 1 1
1 18 1 1 2 ASP HA H -8.186 -9.780 0.260 1.00 . A A . 2 ASP HA 1 1
1 19 1 1 2 ASP HB2 H -8.184 -12.340 -1.387 1.00 . A A . 2 ASP HB2 1 1
1 20 1 1 2 ASP HB3 H -7.363 -12.096 0.171 1.00 . A A . 2 ASP HB3 1 1
1 21 1 1 2 ASP N N -9.328 -9.895 -1.489 1.00 . A A . 2 ASP N 1 1
1 22 1 1 2 ASP O O -6.806 -8.632 -1.832 1.00 . A A . 2 ASP O 1 1
1 23 1 1 2 ASP OD1 O -10.502 -12.313 -0.402 1.00 . A A . 2 ASP OD1 1 1
1 24 1 1 2 ASP OD2 O -9.401 -12.269 1.540 1.00 . A A . 2 ASP OD2 1 1
1 25 1 1 3 VAL C C -4.698 -9.688 -3.593 1.00 . A A . 3 VAL C 1 1
1 26 1 1 3 VAL CA C -4.545 -10.156 -2.129 1.00 . A A . 3 VAL CA 1 1
1 27 1 1 3 VAL CB C -3.485 -11.266 -1.992 1.00 . A A . 3 VAL CB 1 1
1 28 1 1 3 VAL CG1 C -2.122 -10.771 -2.493 1.00 . A A . 3 VAL CG1 1 1
1 29 1 1 3 VAL CG2 C -3.321 -11.717 -0.532 1.00 . A A . 3 VAL CG2 1 1
1 30 1 1 3 VAL H H -5.918 -11.560 -1.267 1.00 . A A . 3 VAL H 1 1
1 31 1 1 3 VAL HA H -4.203 -9.309 -1.535 1.00 . A A . 3 VAL HA 1 1
1 32 1 1 3 VAL HB H -3.784 -12.130 -2.588 1.00 . A A . 3 VAL HB 1 1
1 33 1 1 3 VAL HG11 H -1.828 -9.883 -1.934 1.00 . A A . 3 VAL HG11 1 1
1 34 1 1 3 VAL HG12 H -1.369 -11.546 -2.347 1.00 . A A . 3 VAL HG12 1 1
1 35 1 1 3 VAL HG13 H -2.162 -10.531 -3.556 1.00 . A A . 3 VAL HG13 1 1
1 36 1 1 3 VAL HG21 H -4.240 -12.167 -0.157 1.00 . A A . 3 VAL HG21 1 1
1 37 1 1 3 VAL HG22 H -2.528 -12.463 -0.466 1.00 . A A . 3 VAL HG22 1 1
1 38 1 1 3 VAL HG23 H -3.056 -10.868 0.098 1.00 . A A . 3 VAL HG23 1 1
1 39 1 1 3 VAL N N -5.821 -10.602 -1.558 1.00 . A A . 3 VAL N 1 1
1 40 1 1 3 VAL O O -5.020 -10.493 -4.464 1.00 . A A . 3 VAL O 1 1
1 41 1 1 4 VAL C C -3.130 -7.405 -5.718 1.00 . A A . 4 VAL C 1 1
1 42 1 1 4 VAL CA C -4.528 -7.808 -5.218 1.00 . A A . 4 VAL CA 1 1
1 43 1 1 4 VAL CB C -5.483 -6.596 -5.237 1.00 . A A . 4 VAL CB 1 1
1 44 1 1 4 VAL CG1 C -5.576 -5.990 -6.644 1.00 . A A . 4 VAL CG1 1 1
1 45 1 1 4 VAL CG2 C -6.902 -6.976 -4.799 1.00 . A A . 4 VAL CG2 1 1
1 46 1 1 4 VAL H H -4.170 -7.803 -3.096 1.00 . A A . 4 VAL H 1 1
1 47 1 1 4 VAL HA H -4.934 -8.539 -5.918 1.00 . A A . 4 VAL HA 1 1
1 48 1 1 4 VAL HB H -5.113 -5.829 -4.557 1.00 . A A . 4 VAL HB 1 1
1 49 1 1 4 VAL HG11 H -6.273 -5.151 -6.638 1.00 . A A . 4 VAL HG11 1 1
1 50 1 1 4 VAL HG12 H -4.607 -5.619 -6.970 1.00 . A A . 4 VAL HG12 1 1
1 51 1 1 4 VAL HG13 H -5.931 -6.739 -7.352 1.00 . A A . 4 VAL HG13 1 1
1 52 1 1 4 VAL HG21 H -7.260 -7.833 -5.371 1.00 . A A . 4 VAL HG21 1 1
1 53 1 1 4 VAL HG22 H -6.903 -7.219 -3.742 1.00 . A A . 4 VAL HG22 1 1
1 54 1 1 4 VAL HG23 H -7.578 -6.135 -4.949 1.00 . A A . 4 VAL HG23 1 1
1 55 1 1 4 VAL N N -4.454 -8.398 -3.870 1.00 . A A . 4 VAL N 1 1
1 56 1 1 4 VAL O O -2.451 -6.606 -5.082 1.00 . A A . 4 VAL O 1 1
1 57 1 1 5 THR C C -1.406 -6.738 -8.645 1.00 . A A . 5 THR C 1 1
1 58 1 1 5 THR CA C -1.363 -7.689 -7.433 1.00 . A A . 5 THR CA 1 1
1 59 1 1 5 THR CB C -0.694 -9.051 -7.705 1.00 . A A . 5 THR CB 1 1
1 60 1 1 5 THR CG2 C 0.431 -9.017 -8.728 1.00 . A A . 5 THR CG2 1 1
1 61 1 1 5 THR H H -3.312 -8.556 -7.367 1.00 . A A . 5 THR H 1 1
1 62 1 1 5 THR HA H -0.732 -7.196 -6.696 1.00 . A A . 5 THR HA 1 1
1 63 1 1 5 THR HB H -1.442 -9.773 -8.042 1.00 . A A . 5 THR HB 1 1
1 64 1 1 5 THR HG1 H 0.798 -9.137 -6.473 1.00 . A A . 5 THR HG1 1 1
1 65 1 1 5 THR HG21 H 0.024 -8.799 -9.711 1.00 . A A . 5 THR HG21 1 1
1 66 1 1 5 THR HG22 H 1.163 -8.270 -8.437 1.00 . A A . 5 THR HG22 1 1
1 67 1 1 5 THR HG23 H 0.914 -9.994 -8.775 1.00 . A A . 5 THR HG23 1 1
1 68 1 1 5 THR N N -2.699 -7.926 -6.871 1.00 . A A . 5 THR N 1 1
1 69 1 1 5 THR O O -1.958 -7.070 -9.689 1.00 . A A . 5 THR O 1 1
1 70 1 1 5 THR OG1 O -0.097 -9.501 -6.507 1.00 . A A . 5 THR OG1 1 1
1 71 1 1 6 TYR C C 0.371 -4.685 -10.515 1.00 . A A . 6 TYR C 1 1
1 72 1 1 6 TYR CA C -0.779 -4.486 -9.518 1.00 . A A . 6 TYR CA 1 1
1 73 1 1 6 TYR CB C -0.658 -3.112 -8.844 1.00 . A A . 6 TYR CB 1 1
1 74 1 1 6 TYR CD1 C -3.081 -3.031 -8.088 1.00 . A A . 6 TYR CD1 1 1
1 75 1 1 6 TYR CD2 C -2.029 -0.994 -8.903 1.00 . A A . 6 TYR CD2 1 1
1 76 1 1 6 TYR CE1 C -4.232 -2.295 -7.742 1.00 . A A . 6 TYR CE1 1 1
1 77 1 1 6 TYR CE2 C -3.186 -0.267 -8.585 1.00 . A A . 6 TYR CE2 1 1
1 78 1 1 6 TYR CG C -1.964 -2.372 -8.634 1.00 . A A . 6 TYR CG 1 1
1 79 1 1 6 TYR CZ C -4.286 -0.914 -8.004 1.00 . A A . 6 TYR CZ 1 1
1 80 1 1 6 TYR H H -0.456 -5.310 -7.585 1.00 . A A . 6 TYR H 1 1
1 81 1 1 6 TYR HA H -1.707 -4.494 -10.093 1.00 . A A . 6 TYR HA 1 1
1 82 1 1 6 TYR HB2 H -0.181 -3.219 -7.874 1.00 . A A . 6 TYR HB2 1 1
1 83 1 1 6 TYR HB3 H 0.004 -2.492 -9.452 1.00 . A A . 6 TYR HB3 1 1
1 84 1 1 6 TYR HD1 H -3.045 -4.103 -7.939 1.00 . A A . 6 TYR HD1 1 1
1 85 1 1 6 TYR HD2 H -1.184 -0.484 -9.337 1.00 . A A . 6 TYR HD2 1 1
1 86 1 1 6 TYR HE1 H -5.032 -2.772 -7.194 1.00 . A A . 6 TYR HE1 1 1
1 87 1 1 6 TYR HE2 H -3.219 0.799 -8.749 1.00 . A A . 6 TYR HE2 1 1
1 88 1 1 6 TYR HH H -6.144 -0.680 -7.409 1.00 . A A . 6 TYR HH 1 1
1 89 1 1 6 TYR N N -0.827 -5.537 -8.493 1.00 . A A . 6 TYR N 1 1
1 90 1 1 6 TYR O O 1.506 -4.266 -10.275 1.00 . A A . 6 TYR O 1 1
1 91 1 1 6 TYR OH O -5.342 -0.161 -7.600 1.00 . A A . 6 TYR OH 1 1
1 92 1 1 7 GLU C C 1.438 -4.485 -13.575 1.00 . A A . 7 GLU C 1 1
1 93 1 1 7 GLU CA C 1.058 -5.658 -12.662 1.00 . A A . 7 GLU CA 1 1
1 94 1 1 7 GLU CB C 0.588 -6.934 -13.363 1.00 . A A . 7 GLU CB 1 1
1 95 1 1 7 GLU CD C 0.588 -9.391 -12.631 1.00 . A A . 7 GLU CD 1 1
1 96 1 1 7 GLU CG C 0.257 -7.956 -12.264 1.00 . A A . 7 GLU CG 1 1
1 97 1 1 7 GLU H H -0.855 -5.693 -11.752 1.00 . A A . 7 GLU H 1 1
1 98 1 1 7 GLU HA H 1.981 -5.931 -12.157 1.00 . A A . 7 GLU HA 1 1
1 99 1 1 7 GLU HB2 H -0.306 -6.755 -13.953 1.00 . A A . 7 GLU HB2 1 1
1 100 1 1 7 GLU HB3 H 1.383 -7.309 -14.011 1.00 . A A . 7 GLU HB3 1 1
1 101 1 1 7 GLU HG2 H 0.887 -7.730 -11.414 1.00 . A A . 7 GLU HG2 1 1
1 102 1 1 7 GLU HG3 H -0.785 -7.866 -11.945 1.00 . A A . 7 GLU HG3 1 1
1 103 1 1 7 GLU N N 0.069 -5.296 -11.656 1.00 . A A . 7 GLU N 1 1
1 104 1 1 7 GLU O O 0.914 -4.320 -14.674 1.00 . A A . 7 GLU O 1 1
1 105 1 1 7 GLU OE1 O -0.102 -9.939 -13.513 1.00 . A A . 7 GLU OE1 1 1
1 106 1 1 7 GLU OE2 O 1.543 -9.899 -12.000 1.00 . A A . 7 GLU OE2 1 1
1 107 1 1 8 ASN C C 4.356 -2.863 -14.305 1.00 . A A . 8 ASN C 1 1
1 108 1 1 8 ASN CA C 2.973 -2.521 -13.737 1.00 . A A . 8 ASN CA 1 1
1 109 1 1 8 ASN CB C 3.075 -1.381 -12.717 1.00 . A A . 8 ASN CB 1 1
1 110 1 1 8 ASN CG C 4.062 -1.716 -11.602 1.00 . A A . 8 ASN CG 1 1
1 111 1 1 8 ASN H H 2.778 -3.947 -12.188 1.00 . A A . 8 ASN H 1 1
1 112 1 1 8 ASN HA H 2.342 -2.188 -14.564 1.00 . A A . 8 ASN HA 1 1
1 113 1 1 8 ASN HB2 H 3.402 -0.475 -13.220 1.00 . A A . 8 ASN HB2 1 1
1 114 1 1 8 ASN HB3 H 2.090 -1.180 -12.311 1.00 . A A . 8 ASN HB3 1 1
1 115 1 1 8 ASN HD21 H 2.690 -2.818 -10.528 1.00 . A A . 8 ASN HD21 1 1
1 116 1 1 8 ASN HD22 H 4.365 -2.811 -9.974 1.00 . A A . 8 ASN HD22 1 1
1 117 1 1 8 ASN N N 2.381 -3.679 -13.078 1.00 . A A . 8 ASN N 1 1
1 118 1 1 8 ASN ND2 N 3.641 -2.465 -10.592 1.00 . A A . 8 ASN ND2 1 1
1 119 1 1 8 ASN O O 4.928 -3.911 -14.002 1.00 . A A . 8 ASN O 1 1
1 120 1 1 8 ASN OD1 O 5.232 -1.355 -11.661 1.00 . A A . 8 ASN OD1 1 1
1 121 1 1 9 ALA C C 7.384 -2.338 -14.848 1.00 . A A . 9 ALA C 1 1
1 122 1 1 9 ALA CA C 6.183 -2.201 -15.792 1.00 . A A . 9 ALA CA 1 1
1 123 1 1 9 ALA CB C 6.429 -1.069 -16.786 1.00 . A A . 9 ALA CB 1 1
1 124 1 1 9 ALA H H 4.457 -1.051 -15.230 1.00 . A A . 9 ALA H 1 1
1 125 1 1 9 ALA HA H 6.095 -3.130 -16.360 1.00 . A A . 9 ALA HA 1 1
1 126 1 1 9 ALA HB1 H 5.562 -0.959 -17.437 1.00 . A A . 9 ALA HB1 1 1
1 127 1 1 9 ALA HB2 H 6.596 -0.141 -16.240 1.00 . A A . 9 ALA HB2 1 1
1 128 1 1 9 ALA HB3 H 7.311 -1.299 -17.383 1.00 . A A . 9 ALA HB3 1 1
1 129 1 1 9 ALA N N 4.922 -1.958 -15.100 1.00 . A A . 9 ALA N 1 1
1 130 1 1 9 ALA O O 8.361 -3.002 -15.186 1.00 . A A . 9 ALA O 1 1
1 131 1 1 10 ALA C C 8.578 -2.687 -11.737 1.00 . A A . 10 ALA C 1 1
1 132 1 1 10 ALA CA C 8.494 -1.576 -12.792 1.00 . A A . 10 ALA CA 1 1
1 133 1 1 10 ALA CB C 8.454 -0.192 -12.140 1.00 . A A . 10 ALA CB 1 1
1 134 1 1 10 ALA H H 6.468 -1.259 -13.388 1.00 . A A . 10 ALA H 1 1
1 135 1 1 10 ALA HA H 9.412 -1.623 -13.379 1.00 . A A . 10 ALA HA 1 1
1 136 1 1 10 ALA HB1 H 9.360 -0.021 -11.558 1.00 . A A . 10 ALA HB1 1 1
1 137 1 1 10 ALA HB2 H 8.388 0.560 -12.924 1.00 . A A . 10 ALA HB2 1 1
1 138 1 1 10 ALA HB3 H 7.586 -0.108 -11.485 1.00 . A A . 10 ALA HB3 1 1
1 139 1 1 10 ALA N N 7.337 -1.697 -13.675 1.00 . A A . 10 ALA N 1 1
1 140 1 1 10 ALA O O 9.299 -2.527 -10.755 1.00 . A A . 10 ALA O 1 1
1 141 1 1 11 GLY C C 6.355 -4.810 -10.257 1.00 . A A . 11 GLY C 1 1
1 142 1 1 11 GLY CA C 7.732 -4.851 -10.906 1.00 . A A . 11 GLY CA 1 1
1 143 1 1 11 GLY H H 7.262 -3.838 -12.744 1.00 . A A . 11 GLY H 1 1
1 144 1 1 11 GLY HA2 H 7.910 -5.841 -11.315 1.00 . A A . 11 GLY HA2 1 1
1 145 1 1 11 GLY HA3 H 8.464 -4.714 -10.116 1.00 . A A . 11 GLY HA3 1 1
1 146 1 1 11 GLY N N 7.851 -3.797 -11.919 1.00 . A A . 11 GLY N 1 1
1 147 1 1 11 GLY O O 5.935 -3.759 -9.772 1.00 . A A . 11 GLY O 1 1
1 148 1 1 12 ASN C C 4.567 -5.830 -8.003 1.00 . A A . 12 ASN C 1 1
1 149 1 1 12 ASN CA C 4.360 -5.968 -9.521 1.00 . A A . 12 ASN CA 1 1
1 150 1 1 12 ASN CB C 3.490 -7.150 -9.973 1.00 . A A . 12 ASN CB 1 1
1 151 1 1 12 ASN CG C 4.054 -8.525 -9.631 1.00 . A A . 12 ASN CG 1 1
1 152 1 1 12 ASN H H 6.083 -6.802 -10.475 1.00 . A A . 12 ASN H 1 1
1 153 1 1 12 ASN HA H 3.811 -5.082 -9.832 1.00 . A A . 12 ASN HA 1 1
1 154 1 1 12 ASN HB2 H 2.498 -7.008 -9.547 1.00 . A A . 12 ASN HB2 1 1
1 155 1 1 12 ASN HB3 H 3.392 -7.115 -11.052 1.00 . A A . 12 ASN HB3 1 1
1 156 1 1 12 ASN HD21 H 2.713 -9.550 -10.849 1.00 . A A . 12 ASN HD21 1 1
1 157 1 1 12 ASN HD22 H 3.892 -10.487 -9.952 1.00 . A A . 12 ASN HD22 1 1
1 158 1 1 12 ASN N N 5.641 -5.935 -10.216 1.00 . A A . 12 ASN N 1 1
1 159 1 1 12 ASN ND2 N 3.490 -9.594 -10.174 1.00 . A A . 12 ASN ND2 1 1
1 160 1 1 12 ASN O O 5.689 -5.961 -7.514 1.00 . A A . 12 ASN O 1 1
1 161 1 1 12 ASN OD1 O 5.022 -8.641 -8.897 1.00 . A A . 12 ASN OD1 1 1
1 162 1 1 13 VAL C C 2.852 -5.366 -4.833 1.00 . A A . 13 VAL C 1 1
1 163 1 1 13 VAL CA C 3.650 -4.753 -5.998 1.00 . A A . 13 VAL CA 1 1
1 164 1 1 13 VAL CB C 3.436 -3.242 -6.195 1.00 . A A . 13 VAL CB 1 1
1 165 1 1 13 VAL CG1 C 2.127 -2.940 -6.916 1.00 . A A . 13 VAL CG1 1 1
1 166 1 1 13 VAL CG2 C 3.445 -2.487 -4.866 1.00 . A A . 13 VAL CG2 1 1
1 167 1 1 13 VAL H H 2.641 -5.329 -7.791 1.00 . A A . 13 VAL H 1 1
1 168 1 1 13 VAL HA H 4.677 -4.834 -5.668 1.00 . A A . 13 VAL HA 1 1
1 169 1 1 13 VAL HB H 4.257 -2.864 -6.808 1.00 . A A . 13 VAL HB 1 1
1 170 1 1 13 VAL HG11 H 1.304 -3.331 -6.318 1.00 . A A . 13 VAL HG11 1 1
1 171 1 1 13 VAL HG12 H 2.013 -1.867 -7.049 1.00 . A A . 13 VAL HG12 1 1
1 172 1 1 13 VAL HG13 H 2.123 -3.389 -7.906 1.00 . A A . 13 VAL HG13 1 1
1 173 1 1 13 VAL HG21 H 4.281 -2.821 -4.255 1.00 . A A . 13 VAL HG21 1 1
1 174 1 1 13 VAL HG22 H 3.543 -1.420 -5.055 1.00 . A A . 13 VAL HG22 1 1
1 175 1 1 13 VAL HG23 H 2.512 -2.670 -4.336 1.00 . A A . 13 VAL HG23 1 1
1 176 1 1 13 VAL N N 3.508 -5.436 -7.289 1.00 . A A . 13 VAL N 1 1
1 177 1 1 13 VAL O O 3.261 -5.226 -3.684 1.00 . A A . 13 VAL O 1 1
1 178 1 1 14 THR C C 0.451 -6.044 -2.938 1.00 . A A . 14 THR C 1 1
1 179 1 1 14 THR CA C 1.026 -6.863 -4.106 1.00 . A A . 14 THR CA 1 1
1 180 1 1 14 THR CB C 1.874 -8.077 -3.688 1.00 . A A . 14 THR CB 1 1
1 181 1 1 14 THR CG2 C 1.279 -8.855 -2.515 1.00 . A A . 14 THR CG2 1 1
1 182 1 1 14 THR H H 1.461 -6.158 -6.063 1.00 . A A . 14 THR H 1 1
1 183 1 1 14 THR HA H 0.161 -7.295 -4.609 1.00 . A A . 14 THR HA 1 1
1 184 1 1 14 THR HB H 2.886 -7.765 -3.421 1.00 . A A . 14 THR HB 1 1
1 185 1 1 14 THR HG1 H 1.127 -9.510 -4.768 1.00 . A A . 14 THR HG1 1 1
1 186 1 1 14 THR HG21 H 1.374 -8.277 -1.596 1.00 . A A . 14 THR HG21 1 1
1 187 1 1 14 THR HG22 H 0.229 -9.074 -2.697 1.00 . A A . 14 THR HG22 1 1
1 188 1 1 14 THR HG23 H 1.825 -9.789 -2.380 1.00 . A A . 14 THR HG23 1 1
1 189 1 1 14 THR N N 1.738 -6.057 -5.104 1.00 . A A . 14 THR N 1 1
1 190 1 1 14 THR O O 1.092 -5.786 -1.923 1.00 . A A . 14 THR O 1 1
1 191 1 1 14 THR OG1 O 1.922 -8.963 -4.791 1.00 . A A . 14 THR OG1 1 1
1 192 1 1 15 PHE C C -2.258 -6.276 -1.255 1.00 . A A . 15 PHE C 1 1
1 193 1 1 15 PHE CA C -1.664 -5.101 -2.049 1.00 . A A . 15 PHE CA 1 1
1 194 1 1 15 PHE CB C -2.820 -4.305 -2.692 1.00 . A A . 15 PHE CB 1 1
1 195 1 1 15 PHE CD1 C -1.264 -2.748 -4.010 1.00 . A A . 15 PHE CD1 1 1
1 196 1 1 15 PHE CD2 C -3.634 -2.234 -3.840 1.00 . A A . 15 PHE CD2 1 1
1 197 1 1 15 PHE CE1 C -1.109 -1.707 -4.938 1.00 . A A . 15 PHE CE1 1 1
1 198 1 1 15 PHE CE2 C -3.469 -1.163 -4.733 1.00 . A A . 15 PHE CE2 1 1
1 199 1 1 15 PHE CG C -2.535 -3.036 -3.475 1.00 . A A . 15 PHE CG 1 1
1 200 1 1 15 PHE CZ C -2.208 -0.911 -5.295 1.00 . A A . 15 PHE CZ 1 1
1 201 1 1 15 PHE H H -1.256 -5.880 -3.976 1.00 . A A . 15 PHE H 1 1
1 202 1 1 15 PHE HA H -1.100 -4.447 -1.381 1.00 . A A . 15 PHE HA 1 1
1 203 1 1 15 PHE HB2 H -3.346 -4.970 -3.376 1.00 . A A . 15 PHE HB2 1 1
1 204 1 1 15 PHE HB3 H -3.528 -4.036 -1.909 1.00 . A A . 15 PHE HB3 1 1
1 205 1 1 15 PHE HD1 H -0.401 -3.340 -3.759 1.00 . A A . 15 PHE HD1 1 1
1 206 1 1 15 PHE HD2 H -4.629 -2.491 -3.504 1.00 . A A . 15 PHE HD2 1 1
1 207 1 1 15 PHE HE1 H -0.160 -1.559 -5.424 1.00 . A A . 15 PHE HE1 1 1
1 208 1 1 15 PHE HE2 H -4.331 -0.606 -5.073 1.00 . A A . 15 PHE HE2 1 1
1 209 1 1 15 PHE HZ H -2.100 -0.154 -6.057 1.00 . A A . 15 PHE HZ 1 1
1 210 1 1 15 PHE N N -0.813 -5.652 -3.095 1.00 . A A . 15 PHE N 1 1
1 211 1 1 15 PHE O O -3.236 -6.880 -1.710 1.00 . A A . 15 PHE O 1 1
1 212 1 1 16 ASP C C -3.487 -7.170 1.481 1.00 . A A . 16 ASP C 1 1
1 213 1 1 16 ASP CA C -2.265 -7.696 0.732 1.00 . A A . 16 ASP CA 1 1
1 214 1 1 16 ASP CB C -1.210 -8.309 1.666 1.00 . A A . 16 ASP CB 1 1
1 215 1 1 16 ASP CG C 0.206 -8.094 1.197 1.00 . A A . 16 ASP CG 1 1
1 216 1 1 16 ASP H H -0.924 -6.112 0.317 1.00 . A A . 16 ASP H 1 1
1 217 1 1 16 ASP HA H -2.584 -8.500 0.069 1.00 . A A . 16 ASP HA 1 1
1 218 1 1 16 ASP HB2 H -1.255 -7.860 2.651 1.00 . A A . 16 ASP HB2 1 1
1 219 1 1 16 ASP HB3 H -1.390 -9.380 1.757 1.00 . A A . 16 ASP HB3 1 1
1 220 1 1 16 ASP N N -1.724 -6.606 -0.072 1.00 . A A . 16 ASP N 1 1
1 221 1 1 16 ASP O O -3.476 -6.995 2.697 1.00 . A A . 16 ASP O 1 1
1 222 1 1 16 ASP OD1 O 0.617 -6.923 1.337 1.00 . A A . 16 ASP OD1 1 1
1 223 1 1 16 ASP OD2 O 0.822 -9.075 0.737 1.00 . A A . 16 ASP OD2 1 1
1 224 1 1 17 HIS C C -6.242 -6.998 2.486 1.00 . A A . 17 HIS C 1 1
1 225 1 1 17 HIS CA C -5.780 -6.293 1.210 1.00 . A A . 17 HIS CA 1 1
1 226 1 1 17 HIS CB C -6.816 -6.433 0.096 1.00 . A A . 17 HIS CB 1 1
1 227 1 1 17 HIS CD2 C -8.121 -4.402 0.936 1.00 . A A . 17 HIS CD2 1 1
1 228 1 1 17 HIS CE1 C -8.945 -3.706 -0.959 1.00 . A A . 17 HIS CE1 1 1
1 229 1 1 17 HIS CG C -7.787 -5.301 -0.032 1.00 . A A . 17 HIS CG 1 1
1 230 1 1 17 HIS H H -4.454 -7.078 -0.268 1.00 . A A . 17 HIS H 1 1
1 231 1 1 17 HIS HA H -5.575 -5.242 1.419 1.00 . A A . 17 HIS HA 1 1
1 232 1 1 17 HIS HB2 H -6.293 -6.473 -0.858 1.00 . A A . 17 HIS HB2 1 1
1 233 1 1 17 HIS HB3 H -7.363 -7.361 0.236 1.00 . A A . 17 HIS HB3 1 1
1 234 1 1 17 HIS HD1 H -8.195 -5.295 -2.118 1.00 . A A . 17 HIS HD1 1 1
1 235 1 1 17 HIS HD2 H -7.810 -4.477 1.961 1.00 . A A . 17 HIS HD2 1 1
1 236 1 1 17 HIS HE1 H -9.421 -3.142 -1.738 1.00 . A A . 17 HIS HE1 1 1
1 237 1 1 17 HIS N N -4.547 -6.893 0.724 1.00 . A A . 17 HIS N 1 1
1 238 1 1 17 HIS ND1 N -8.318 -4.862 -1.215 1.00 . A A . 17 HIS ND1 1 1
1 239 1 1 17 HIS NE2 N -8.827 -3.355 0.337 1.00 . A A . 17 HIS NE2 1 1
1 240 1 1 17 HIS O O -6.594 -6.365 3.479 1.00 . A A . 17 HIS O 1 1
1 241 1 1 18 LYS C C -5.039 -9.019 4.564 1.00 . A A . 18 LYS C 1 1
1 242 1 1 18 LYS CA C -6.224 -9.198 3.599 1.00 . A A . 18 LYS CA 1 1
1 243 1 1 18 LYS CB C -6.369 -10.648 3.122 1.00 . A A . 18 LYS CB 1 1
1 244 1 1 18 LYS CD C -7.054 -12.965 3.882 1.00 . A A . 18 LYS CD 1 1
1 245 1 1 18 LYS CE C -7.726 -13.798 4.982 1.00 . A A . 18 LYS CE 1 1
1 246 1 1 18 LYS CG C -6.895 -11.493 4.284 1.00 . A A . 18 LYS CG 1 1
1 247 1 1 18 LYS H H -5.875 -8.727 1.555 1.00 . A A . 18 LYS H 1 1
1 248 1 1 18 LYS HA H -7.133 -8.922 4.136 1.00 . A A . 18 LYS HA 1 1
1 249 1 1 18 LYS HB2 H -7.088 -10.670 2.301 1.00 . A A . 18 LYS HB2 1 1
1 250 1 1 18 LYS HB3 H -5.421 -11.044 2.757 1.00 . A A . 18 LYS HB3 1 1
1 251 1 1 18 LYS HD2 H -7.646 -13.027 2.968 1.00 . A A . 18 LYS HD2 1 1
1 252 1 1 18 LYS HD3 H -6.069 -13.386 3.667 1.00 . A A . 18 LYS HD3 1 1
1 253 1 1 18 LYS HE2 H -8.010 -14.766 4.561 1.00 . A A . 18 LYS HE2 1 1
1 254 1 1 18 LYS HE3 H -7.016 -13.968 5.797 1.00 . A A . 18 LYS HE3 1 1
1 255 1 1 18 LYS HG2 H -6.217 -11.433 5.135 1.00 . A A . 18 LYS HG2 1 1
1 256 1 1 18 LYS HG3 H -7.853 -11.057 4.567 1.00 . A A . 18 LYS HG3 1 1
1 257 1 1 18 LYS HZ1 H -9.465 -12.715 4.788 1.00 . A A . 18 LYS HZ1 1 1
1 258 1 1 18 LYS HZ2 H -9.475 -13.743 6.090 1.00 . A A . 18 LYS HZ2 1 1
1 259 1 1 18 LYS HZ3 H -8.579 -12.376 6.158 1.00 . A A . 18 LYS HZ3 1 1
1 260 1 1 18 LYS N N -6.140 -8.329 2.443 1.00 . A A . 18 LYS N 1 1
1 261 1 1 18 LYS NZ N -8.914 -13.117 5.535 1.00 . A A . 18 LYS NZ 1 1
1 262 1 1 18 LYS O O -5.214 -8.450 5.633 1.00 . A A . 18 LYS O 1 1
1 263 1 1 19 ALA C C -2.388 -8.417 5.963 1.00 . A A . 19 ALA C 1 1
1 264 1 1 19 ALA CA C -2.767 -9.707 5.227 1.00 . A A . 19 ALA CA 1 1
1 265 1 1 19 ALA CB C -1.533 -10.324 4.569 1.00 . A A . 19 ALA CB 1 1
1 266 1 1 19 ALA H H -3.694 -9.878 3.313 1.00 . A A . 19 ALA H 1 1
1 267 1 1 19 ALA HA H -3.126 -10.418 5.972 1.00 . A A . 19 ALA HA 1 1
1 268 1 1 19 ALA HB1 H -0.982 -9.558 4.029 1.00 . A A . 19 ALA HB1 1 1
1 269 1 1 19 ALA HB2 H -0.880 -10.724 5.344 1.00 . A A . 19 ALA HB2 1 1
1 270 1 1 19 ALA HB3 H -1.820 -11.128 3.891 1.00 . A A . 19 ALA HB3 1 1
1 271 1 1 19 ALA N N -3.842 -9.529 4.244 1.00 . A A . 19 ALA N 1 1
1 272 1 1 19 ALA O O -2.175 -8.435 7.175 1.00 . A A . 19 ALA O 1 1
1 273 1 1 20 HIS C C -3.355 -5.785 6.897 1.00 . A A . 20 HIS C 1 1
1 274 1 1 20 HIS CA C -2.211 -5.988 5.884 1.00 . A A . 20 HIS CA 1 1
1 275 1 1 20 HIS CB C -2.146 -4.857 4.841 1.00 . A A . 20 HIS CB 1 1
1 276 1 1 20 HIS CD2 C -0.064 -3.374 4.485 1.00 . A A . 20 HIS CD2 1 1
1 277 1 1 20 HIS CE1 C 1.043 -4.593 3.062 1.00 . A A . 20 HIS CE1 1 1
1 278 1 1 20 HIS CG C -0.773 -4.537 4.284 1.00 . A A . 20 HIS CG 1 1
1 279 1 1 20 HIS H H -2.591 -7.325 4.264 1.00 . A A . 20 HIS H 1 1
1 280 1 1 20 HIS HA H -1.276 -5.989 6.443 1.00 . A A . 20 HIS HA 1 1
1 281 1 1 20 HIS HB2 H -2.830 -5.055 4.019 1.00 . A A . 20 HIS HB2 1 1
1 282 1 1 20 HIS HB3 H -2.499 -3.958 5.330 1.00 . A A . 20 HIS HB3 1 1
1 283 1 1 20 HIS HD1 H -0.288 -6.163 2.916 1.00 . A A . 20 HIS HD1 1 1
1 284 1 1 20 HIS HD2 H -0.375 -2.556 5.114 1.00 . A A . 20 HIS HD2 1 1
1 285 1 1 20 HIS HE1 H 1.764 -4.972 2.358 1.00 . A A . 20 HIS HE1 1 1
1 286 1 1 20 HIS N N -2.341 -7.289 5.246 1.00 . A A . 20 HIS N 1 1
1 287 1 1 20 HIS ND1 N -0.062 -5.282 3.371 1.00 . A A . 20 HIS ND1 1 1
1 288 1 1 20 HIS NE2 N 1.102 -3.416 3.703 1.00 . A A . 20 HIS NE2 1 1
1 289 1 1 20 HIS O O -3.099 -5.526 8.068 1.00 . A A . 20 HIS O 1 1
1 290 1 1 21 ALA C C -5.749 -6.799 8.574 1.00 . A A . 21 ALA C 1 1
1 291 1 1 21 ALA CA C -5.777 -5.843 7.374 1.00 . A A . 21 ALA CA 1 1
1 292 1 1 21 ALA CB C -7.069 -6.054 6.593 1.00 . A A . 21 ALA CB 1 1
1 293 1 1 21 ALA H H -4.774 -6.330 5.560 1.00 . A A . 21 ALA H 1 1
1 294 1 1 21 ALA HA H -5.797 -4.826 7.768 1.00 . A A . 21 ALA HA 1 1
1 295 1 1 21 ALA HB1 H -7.907 -5.863 7.263 1.00 . A A . 21 ALA HB1 1 1
1 296 1 1 21 ALA HB2 H -7.100 -5.369 5.752 1.00 . A A . 21 ALA HB2 1 1
1 297 1 1 21 ALA HB3 H -7.151 -7.075 6.226 1.00 . A A . 21 ALA HB3 1 1
1 298 1 1 21 ALA N N -4.617 -5.949 6.486 1.00 . A A . 21 ALA N 1 1
1 299 1 1 21 ALA O O -6.140 -6.400 9.667 1.00 . A A . 21 ALA O 1 1
1 300 1 1 22 GLU C C -4.345 -8.416 10.684 1.00 . A A . 22 GLU C 1 1
1 301 1 1 22 GLU CA C -5.172 -8.997 9.507 1.00 . A A . 22 GLU CA 1 1
1 302 1 1 22 GLU CB C -4.613 -10.338 8.995 1.00 . A A . 22 GLU CB 1 1
1 303 1 1 22 GLU CD C -6.777 -11.604 8.222 1.00 . A A . 22 GLU CD 1 1
1 304 1 1 22 GLU CG C -5.422 -11.005 7.855 1.00 . A A . 22 GLU CG 1 1
1 305 1 1 22 GLU H H -5.035 -8.334 7.466 1.00 . A A . 22 GLU H 1 1
1 306 1 1 22 GLU HA H -6.175 -9.193 9.889 1.00 . A A . 22 GLU HA 1 1
1 307 1 1 22 GLU HB2 H -3.597 -10.164 8.637 1.00 . A A . 22 GLU HB2 1 1
1 308 1 1 22 GLU HB3 H -4.559 -11.035 9.834 1.00 . A A . 22 GLU HB3 1 1
1 309 1 1 22 GLU HG2 H -5.607 -10.289 7.067 1.00 . A A . 22 GLU HG2 1 1
1 310 1 1 22 GLU HG3 H -4.828 -11.820 7.444 1.00 . A A . 22 GLU HG3 1 1
1 311 1 1 22 GLU N N -5.288 -8.041 8.403 1.00 . A A . 22 GLU N 1 1
1 312 1 1 22 GLU O O -4.580 -8.769 11.837 1.00 . A A . 22 GLU O 1 1
1 313 1 1 22 GLU OE1 O -6.926 -12.055 9.374 1.00 . A A . 22 GLU OE1 1 1
1 314 1 1 22 GLU OE2 O -7.630 -11.667 7.302 1.00 . A A . 22 GLU OE2 1 1
1 315 1 1 23 LYS C C -3.514 -5.311 11.653 1.00 . A A . 23 LYS C 1 1
1 316 1 1 23 LYS CA C -2.760 -6.638 11.410 1.00 . A A . 23 LYS CA 1 1
1 317 1 1 23 LYS CB C -1.315 -6.346 10.960 1.00 . A A . 23 LYS CB 1 1
1 318 1 1 23 LYS CD C 1.074 -7.149 10.878 1.00 . A A . 23 LYS CD 1 1
1 319 1 1 23 LYS CE C 2.127 -8.008 11.593 1.00 . A A . 23 LYS CE 1 1
1 320 1 1 23 LYS CG C -0.324 -7.402 11.466 1.00 . A A . 23 LYS CG 1 1
1 321 1 1 23 LYS H H -3.244 -7.273 9.431 1.00 . A A . 23 LYS H 1 1
1 322 1 1 23 LYS HA H -2.719 -7.152 12.371 1.00 . A A . 23 LYS HA 1 1
1 323 1 1 23 LYS HB2 H -1.269 -6.288 9.871 1.00 . A A . 23 LYS HB2 1 1
1 324 1 1 23 LYS HB3 H -1.002 -5.383 11.363 1.00 . A A . 23 LYS HB3 1 1
1 325 1 1 23 LYS HD2 H 1.046 -7.387 9.812 1.00 . A A . 23 LYS HD2 1 1
1 326 1 1 23 LYS HD3 H 1.343 -6.095 10.986 1.00 . A A . 23 LYS HD3 1 1
1 327 1 1 23 LYS HE2 H 2.279 -7.623 12.605 1.00 . A A . 23 LYS HE2 1 1
1 328 1 1 23 LYS HE3 H 1.763 -9.035 11.664 1.00 . A A . 23 LYS HE3 1 1
1 329 1 1 23 LYS HG2 H -0.285 -7.345 12.556 1.00 . A A . 23 LYS HG2 1 1
1 330 1 1 23 LYS HG3 H -0.677 -8.395 11.177 1.00 . A A . 23 LYS HG3 1 1
1 331 1 1 23 LYS HZ1 H 4.140 -8.558 11.314 1.00 . A A . 23 LYS HZ1 1 1
1 332 1 1 23 LYS HZ2 H 3.908 -7.102 10.818 1.00 . A A . 23 LYS HZ2 1 1
1 333 1 1 23 LYS HZ3 H 3.337 -8.300 9.912 1.00 . A A . 23 LYS HZ3 1 1
1 334 1 1 23 LYS N N -3.413 -7.489 10.406 1.00 . A A . 23 LYS N 1 1
1 335 1 1 23 LYS NZ N 3.418 -8.011 10.871 1.00 . A A . 23 LYS NZ 1 1
1 336 1 1 23 LYS O O -3.741 -4.916 12.793 1.00 . A A . 23 LYS O 1 1
1 337 1 1 24 LEU C C -5.665 -2.832 10.667 1.00 . A A . 24 LEU C 1 1
1 338 1 1 24 LEU CA C -4.158 -3.157 10.569 1.00 . A A . 24 LEU CA 1 1
1 339 1 1 24 LEU CB C -3.543 -2.552 9.301 1.00 . A A . 24 LEU CB 1 1
1 340 1 1 24 LEU CD1 C -1.598 -2.076 7.835 1.00 . A A . 24 LEU CD1 1 1
1 341 1 1 24 LEU CD2 C -1.267 -1.997 10.305 1.00 . A A . 24 LEU CD2 1 1
1 342 1 1 24 LEU CG C -2.017 -2.700 9.168 1.00 . A A . 24 LEU CG 1 1
1 343 1 1 24 LEU H H -3.608 -5.004 9.685 1.00 . A A . 24 LEU H 1 1
1 344 1 1 24 LEU HA H -3.704 -2.652 11.421 1.00 . A A . 24 LEU HA 1 1
1 345 1 1 24 LEU HB2 H -4.028 -2.991 8.429 1.00 . A A . 24 LEU HB2 1 1
1 346 1 1 24 LEU HB3 H -3.744 -1.492 9.308 1.00 . A A . 24 LEU HB3 1 1
1 347 1 1 24 LEU HD11 H -2.132 -2.561 7.021 1.00 . A A . 24 LEU HD11 1 1
1 348 1 1 24 LEU HD12 H -1.847 -1.016 7.826 1.00 . A A . 24 LEU HD12 1 1
1 349 1 1 24 LEU HD13 H -0.527 -2.203 7.683 1.00 . A A . 24 LEU HD13 1 1
1 350 1 1 24 LEU HD21 H -1.450 -2.507 11.251 1.00 . A A . 24 LEU HD21 1 1
1 351 1 1 24 LEU HD22 H -0.195 -2.023 10.106 1.00 . A A . 24 LEU HD22 1 1
1 352 1 1 24 LEU HD23 H -1.588 -0.958 10.384 1.00 . A A . 24 LEU HD23 1 1
1 353 1 1 24 LEU HG H -1.727 -3.749 9.161 1.00 . A A . 24 LEU HG 1 1
1 354 1 1 24 LEU N N -3.826 -4.584 10.578 1.00 . A A . 24 LEU N 1 1
1 355 1 1 24 LEU O O -6.036 -1.679 10.865 1.00 . A A . 24 LEU O 1 1
1 356 1 1 25 GLY C C -8.769 -2.698 9.997 1.00 . A A . 25 GLY C 1 1
1 357 1 1 25 GLY CA C -7.973 -3.702 10.835 1.00 . A A . 25 GLY CA 1 1
1 358 1 1 25 GLY H H -6.182 -4.757 10.388 1.00 . A A . 25 GLY H 1 1
1 359 1 1 25 GLY HA2 H -8.434 -4.669 10.671 1.00 . A A . 25 GLY HA2 1 1
1 360 1 1 25 GLY HA3 H -8.087 -3.442 11.886 1.00 . A A . 25 GLY HA3 1 1
1 361 1 1 25 GLY N N -6.547 -3.823 10.530 1.00 . A A . 25 GLY N 1 1
1 362 1 1 25 GLY O O -9.610 -1.993 10.541 1.00 . A A . 25 GLY O 1 1
1 363 1 1 26 CYS C C -8.984 -0.331 7.852 1.00 . A A . 26 CYS C 1 1
1 364 1 1 26 CYS CA C -9.184 -1.842 7.658 1.00 . A A . 26 CYS CA 1 1
1 365 1 1 26 CYS CB C -10.655 -2.148 7.511 1.00 . A A . 26 CYS CB 1 1
1 366 1 1 26 CYS H H -7.845 -3.335 8.369 1.00 . A A . 26 CYS H 1 1
1 367 1 1 26 CYS HA H -8.713 -2.076 6.705 1.00 . A A . 26 CYS HA 1 1
1 368 1 1 26 CYS HB2 H -11.163 -1.776 8.397 1.00 . A A . 26 CYS HB2 1 1
1 369 1 1 26 CYS HB3 H -11.027 -1.613 6.635 1.00 . A A . 26 CYS HB3 1 1
1 370 1 1 26 CYS N N -8.528 -2.672 8.681 1.00 . A A . 26 CYS N 1 1
1 371 1 1 26 CYS O O -8.451 0.333 6.963 1.00 . A A . 26 CYS O 1 1
1 372 1 1 26 CYS SG S -11.097 -3.910 7.378 1.00 . A A . 26 CYS SG 1 1
1 373 1 1 27 ASP C C -8.106 2.290 9.037 1.00 . A A . 27 ASP C 1 1
1 374 1 1 27 ASP CA C -9.431 1.609 9.384 1.00 . A A . 27 ASP CA 1 1
1 375 1 1 27 ASP CB C -9.720 1.688 10.892 1.00 . A A . 27 ASP CB 1 1
1 376 1 1 27 ASP CG C -11.126 1.253 11.285 1.00 . A A . 27 ASP CG 1 1
1 377 1 1 27 ASP H H -9.841 -0.420 9.671 1.00 . A A . 27 ASP H 1 1
1 378 1 1 27 ASP HA H -10.233 2.112 8.852 1.00 . A A . 27 ASP HA 1 1
1 379 1 1 27 ASP HB2 H -9.013 1.070 11.445 1.00 . A A . 27 ASP HB2 1 1
1 380 1 1 27 ASP HB3 H -9.611 2.721 11.221 1.00 . A A . 27 ASP HB3 1 1
1 381 1 1 27 ASP N N -9.420 0.206 8.995 1.00 . A A . 27 ASP N 1 1
1 382 1 1 27 ASP O O -8.072 3.371 8.453 1.00 . A A . 27 ASP O 1 1
1 383 1 1 27 ASP OD1 O -11.837 0.704 10.416 1.00 . A A . 27 ASP OD1 1 1
1 384 1 1 27 ASP OD2 O -11.462 1.489 12.465 1.00 . A A . 27 ASP OD2 1 1
1 385 1 1 28 ALA C C -5.455 2.502 7.552 1.00 . A A . 28 ALA C 1 1
1 386 1 1 28 ALA CA C -5.643 1.951 8.979 1.00 . A A . 28 ALA CA 1 1
1 387 1 1 28 ALA CB C -4.808 0.693 9.153 1.00 . A A . 28 ALA CB 1 1
1 388 1 1 28 ALA H H -7.164 0.693 9.791 1.00 . A A . 28 ALA H 1 1
1 389 1 1 28 ALA HA H -5.294 2.706 9.683 1.00 . A A . 28 ALA HA 1 1
1 390 1 1 28 ALA HB1 H -3.779 0.872 8.842 1.00 . A A . 28 ALA HB1 1 1
1 391 1 1 28 ALA HB2 H -4.815 0.389 10.201 1.00 . A A . 28 ALA HB2 1 1
1 392 1 1 28 ALA HB3 H -5.251 -0.100 8.543 1.00 . A A . 28 ALA HB3 1 1
1 393 1 1 28 ALA N N -7.010 1.589 9.337 1.00 . A A . 28 ALA N 1 1
1 394 1 1 28 ALA O O -4.570 3.325 7.327 1.00 . A A . 28 ALA O 1 1
1 395 1 1 29 CYS C C -7.511 3.154 4.751 1.00 . A A . 29 CYS C 1 1
1 396 1 1 29 CYS CA C -6.215 2.447 5.188 1.00 . A A . 29 CYS CA 1 1
1 397 1 1 29 CYS CB C -6.013 1.226 4.332 1.00 . A A . 29 CYS CB 1 1
1 398 1 1 29 CYS H H -6.973 1.358 6.848 1.00 . A A . 29 CYS H 1 1
1 399 1 1 29 CYS HA H -5.395 3.140 4.998 1.00 . A A . 29 CYS HA 1 1
1 400 1 1 29 CYS HB2 H -6.794 0.495 4.564 1.00 . A A . 29 CYS HB2 1 1
1 401 1 1 29 CYS HB3 H -6.122 1.526 3.289 1.00 . A A . 29 CYS HB3 1 1
1 402 1 1 29 CYS N N -6.252 2.026 6.589 1.00 . A A . 29 CYS N 1 1
1 403 1 1 29 CYS O O -7.655 3.514 3.585 1.00 . A A . 29 CYS O 1 1
1 404 1 1 29 CYS SG S -4.364 0.459 4.516 1.00 . A A . 29 CYS SG 1 1
1 405 1 1 30 HIS C C -10.603 4.359 6.390 1.00 . A A . 30 HIS C 1 1
1 406 1 1 30 HIS CA C -9.862 3.608 5.279 1.00 . A A . 30 HIS CA 1 1
1 407 1 1 30 HIS CB C -10.554 2.273 4.968 1.00 . A A . 30 HIS CB 1 1
1 408 1 1 30 HIS CD2 C -9.966 0.290 3.486 1.00 . A A . 30 HIS CD2 1 1
1 409 1 1 30 HIS CE1 C -9.894 1.251 1.526 1.00 . A A . 30 HIS CE1 1 1
1 410 1 1 30 HIS CG C -10.175 1.621 3.672 1.00 . A A . 30 HIS CG 1 1
1 411 1 1 30 HIS H H -8.296 3.106 6.622 1.00 . A A . 30 HIS H 1 1
1 412 1 1 30 HIS HA H -9.903 4.272 4.418 1.00 . A A . 30 HIS HA 1 1
1 413 1 1 30 HIS HB2 H -10.337 1.584 5.784 1.00 . A A . 30 HIS HB2 1 1
1 414 1 1 30 HIS HB3 H -11.629 2.424 4.960 1.00 . A A . 30 HIS HB3 1 1
1 415 1 1 30 HIS HD1 H -10.105 3.209 2.289 1.00 . A A . 30 HIS HD1 1 1
1 416 1 1 30 HIS HD2 H -9.933 -0.449 4.266 1.00 . A A . 30 HIS HD2 1 1
1 417 1 1 30 HIS HE1 H -9.770 1.410 0.465 1.00 . A A . 30 HIS HE1 1 1
1 418 1 1 30 HIS N N -8.487 3.314 5.648 1.00 . A A . 30 HIS N 1 1
1 419 1 1 30 HIS ND1 N -10.146 2.213 2.439 1.00 . A A . 30 HIS ND1 1 1
1 420 1 1 30 HIS NE2 N -9.776 0.051 2.114 1.00 . A A . 30 HIS NE2 1 1
1 421 1 1 30 HIS O O -11.103 3.745 7.327 1.00 . A A . 30 HIS O 1 1
1 422 1 1 31 GLU C C -12.885 6.214 7.416 1.00 . A A . 31 GLU C 1 1
1 423 1 1 31 GLU CA C -11.378 6.509 7.264 1.00 . A A . 31 GLU CA 1 1
1 424 1 1 31 GLU CB C -11.086 7.986 6.969 1.00 . A A . 31 GLU CB 1 1
1 425 1 1 31 GLU CD C -9.270 9.765 6.852 1.00 . A A . 31 GLU CD 1 1
1 426 1 1 31 GLU CG C -9.577 8.284 7.038 1.00 . A A . 31 GLU CG 1 1
1 427 1 1 31 GLU H H -10.291 6.153 5.486 1.00 . A A . 31 GLU H 1 1
1 428 1 1 31 GLU HA H -10.890 6.258 8.203 1.00 . A A . 31 GLU HA 1 1
1 429 1 1 31 GLU HB2 H -11.472 8.257 5.985 1.00 . A A . 31 GLU HB2 1 1
1 430 1 1 31 GLU HB3 H -11.591 8.601 7.717 1.00 . A A . 31 GLU HB3 1 1
1 431 1 1 31 GLU HG2 H -9.189 7.995 8.014 1.00 . A A . 31 GLU HG2 1 1
1 432 1 1 31 GLU HG3 H -9.037 7.733 6.269 1.00 . A A . 31 GLU HG3 1 1
1 433 1 1 31 GLU N N -10.737 5.680 6.256 1.00 . A A . 31 GLU N 1 1
1 434 1 1 31 GLU O O -13.739 6.899 6.852 1.00 . A A . 31 GLU O 1 1
1 435 1 1 31 GLU OE1 O -9.787 10.556 7.668 1.00 . A A . 31 GLU OE1 1 1
1 436 1 1 31 GLU OE2 O -8.525 10.070 5.897 1.00 . A A . 31 GLU OE2 1 1
1 437 1 1 32 GLY C C -15.311 4.073 7.384 1.00 . A A . 32 GLY C 1 1
1 438 1 1 32 GLY CA C -14.588 4.795 8.525 1.00 . A A . 32 GLY CA 1 1
1 439 1 1 32 GLY H H -12.458 4.557 8.455 1.00 . A A . 32 GLY H 1 1
1 440 1 1 32 GLY HA2 H -14.554 4.132 9.390 1.00 . A A . 32 GLY HA2 1 1
1 441 1 1 32 GLY HA3 H -15.159 5.683 8.798 1.00 . A A . 32 GLY HA3 1 1
1 442 1 1 32 GLY N N -13.219 5.171 8.179 1.00 . A A . 32 GLY N 1 1
1 443 1 1 32 GLY O O -15.742 2.934 7.538 1.00 . A A . 32 GLY O 1 1
1 444 1 1 33 THR C C -15.090 3.611 4.071 1.00 . A A . 33 THR C 1 1
1 445 1 1 33 THR CA C -16.123 4.189 5.051 1.00 . A A . 33 THR CA 1 1
1 446 1 1 33 THR CB C -16.966 5.279 4.371 1.00 . A A . 33 THR CB 1 1
1 447 1 1 33 THR CG2 C -17.805 4.704 3.227 1.00 . A A . 33 THR CG2 1 1
1 448 1 1 33 THR H H -15.069 5.677 6.194 1.00 . A A . 33 THR H 1 1
1 449 1 1 33 THR HA H -16.826 3.418 5.362 1.00 . A A . 33 THR HA 1 1
1 450 1 1 33 THR HB H -16.317 6.069 3.985 1.00 . A A . 33 THR HB 1 1
1 451 1 1 33 THR HG1 H -18.354 5.146 5.731 1.00 . A A . 33 THR HG1 1 1
1 452 1 1 33 THR HG21 H -17.164 4.317 2.434 1.00 . A A . 33 THR HG21 1 1
1 453 1 1 33 THR HG22 H -18.447 3.903 3.594 1.00 . A A . 33 THR HG22 1 1
1 454 1 1 33 THR HG23 H -18.432 5.494 2.812 1.00 . A A . 33 THR HG23 1 1
1 455 1 1 33 THR N N -15.457 4.738 6.235 1.00 . A A . 33 THR N 1 1
1 456 1 1 33 THR O O -14.402 4.383 3.402 1.00 . A A . 33 THR O 1 1
1 457 1 1 33 THR OG1 O -17.859 5.850 5.304 1.00 . A A . 33 THR OG1 1 1
1 458 1 1 34 PRO C C -14.488 1.822 1.578 1.00 . A A . 34 PRO C 1 1
1 459 1 1 34 PRO CA C -13.994 1.692 3.023 1.00 . A A . 34 PRO CA 1 1
1 460 1 1 34 PRO CB C -13.871 0.234 3.456 1.00 . A A . 34 PRO CB 1 1
1 461 1 1 34 PRO CD C -15.672 1.235 4.661 1.00 . A A . 34 PRO CD 1 1
1 462 1 1 34 PRO CG C -15.263 -0.081 3.999 1.00 . A A . 34 PRO CG 1 1
1 463 1 1 34 PRO HA H -13.023 2.177 3.111 1.00 . A A . 34 PRO HA 1 1
1 464 1 1 34 PRO HB2 H -13.595 -0.405 2.623 1.00 . A A . 34 PRO HB2 1 1
1 465 1 1 34 PRO HB3 H -13.138 0.149 4.260 1.00 . A A . 34 PRO HB3 1 1
1 466 1 1 34 PRO HD2 H -16.755 1.349 4.599 1.00 . A A . 34 PRO HD2 1 1
1 467 1 1 34 PRO HD3 H -15.349 1.212 5.700 1.00 . A A . 34 PRO HD3 1 1
1 468 1 1 34 PRO HG2 H -15.941 -0.299 3.172 1.00 . A A . 34 PRO HG2 1 1
1 469 1 1 34 PRO HG3 H -15.257 -0.912 4.705 1.00 . A A . 34 PRO HG3 1 1
1 470 1 1 34 PRO N N -14.949 2.280 3.947 1.00 . A A . 34 PRO N 1 1
1 471 1 1 34 PRO O O -15.649 1.546 1.281 1.00 . A A . 34 PRO O 1 1
1 472 1 1 35 ALA C C -12.637 2.436 -1.574 1.00 . A A . 35 ALA C 1 1
1 473 1 1 35 ALA CA C -13.917 2.473 -0.732 1.00 . A A . 35 ALA CA 1 1
1 474 1 1 35 ALA CB C -14.645 3.815 -0.876 1.00 . A A . 35 ALA CB 1 1
1 475 1 1 35 ALA H H -12.651 2.425 0.963 1.00 . A A . 35 ALA H 1 1
1 476 1 1 35 ALA HA H -14.573 1.676 -1.088 1.00 . A A . 35 ALA HA 1 1
1 477 1 1 35 ALA HB1 H -14.005 4.625 -0.525 1.00 . A A . 35 ALA HB1 1 1
1 478 1 1 35 ALA HB2 H -14.908 3.993 -1.919 1.00 . A A . 35 ALA HB2 1 1
1 479 1 1 35 ALA HB3 H -15.561 3.808 -0.284 1.00 . A A . 35 ALA HB3 1 1
1 480 1 1 35 ALA N N -13.603 2.245 0.674 1.00 . A A . 35 ALA N 1 1
1 481 1 1 35 ALA O O -11.529 2.399 -1.034 1.00 . A A . 35 ALA O 1 1
1 482 1 1 36 LYS C C -10.831 3.666 -3.891 1.00 . A A . 36 LYS C 1 1
1 483 1 1 36 LYS CA C -11.634 2.357 -3.802 1.00 . A A . 36 LYS CA 1 1
1 484 1 1 36 LYS CB C -12.023 1.785 -5.170 1.00 . A A . 36 LYS CB 1 1
1 485 1 1 36 LYS CD C -13.194 1.994 -7.348 1.00 . A A . 36 LYS CD 1 1
1 486 1 1 36 LYS CE C -14.299 2.696 -8.145 1.00 . A A . 36 LYS CE 1 1
1 487 1 1 36 LYS CG C -13.140 2.530 -5.913 1.00 . A A . 36 LYS CG 1 1
1 488 1 1 36 LYS H H -13.707 2.476 -3.294 1.00 . A A . 36 LYS H 1 1
1 489 1 1 36 LYS HA H -10.964 1.616 -3.376 1.00 . A A . 36 LYS HA 1 1
1 490 1 1 36 LYS HB2 H -11.118 1.791 -5.780 1.00 . A A . 36 LYS HB2 1 1
1 491 1 1 36 LYS HB3 H -12.327 0.746 -5.036 1.00 . A A . 36 LYS HB3 1 1
1 492 1 1 36 LYS HD2 H -12.222 2.170 -7.817 1.00 . A A . 36 LYS HD2 1 1
1 493 1 1 36 LYS HD3 H -13.369 0.916 -7.314 1.00 . A A . 36 LYS HD3 1 1
1 494 1 1 36 LYS HE2 H -15.264 2.494 -7.673 1.00 . A A . 36 LYS HE2 1 1
1 495 1 1 36 LYS HE3 H -14.126 3.776 -8.122 1.00 . A A . 36 LYS HE3 1 1
1 496 1 1 36 LYS HG2 H -14.094 2.364 -5.412 1.00 . A A . 36 LYS HG2 1 1
1 497 1 1 36 LYS HG3 H -12.937 3.601 -5.940 1.00 . A A . 36 LYS HG3 1 1
1 498 1 1 36 LYS HZ1 H -15.056 2.692 -10.061 1.00 . A A . 36 LYS HZ1 1 1
1 499 1 1 36 LYS HZ2 H -13.433 2.432 -9.991 1.00 . A A . 36 LYS HZ2 1 1
1 500 1 1 36 LYS HZ3 H -14.474 1.230 -9.577 1.00 . A A . 36 LYS HZ3 1 1
1 501 1 1 36 LYS N N -12.779 2.438 -2.903 1.00 . A A . 36 LYS N 1 1
1 502 1 1 36 LYS NZ N -14.319 2.229 -9.547 1.00 . A A . 36 LYS NZ 1 1
1 503 1 1 36 LYS O O -11.137 4.561 -4.674 1.00 . A A . 36 LYS O 1 1
1 504 1 1 37 ILE C C -8.008 4.702 -4.501 1.00 . A A . 37 ILE C 1 1
1 505 1 1 37 ILE CA C -8.784 4.836 -3.183 1.00 . A A . 37 ILE CA 1 1
1 506 1 1 37 ILE CB C -7.837 4.775 -1.968 1.00 . A A . 37 ILE CB 1 1
1 507 1 1 37 ILE CD1 C -7.849 4.529 0.577 1.00 . A A . 37 ILE CD1 1 1
1 508 1 1 37 ILE CG1 C -8.634 4.958 -0.664 1.00 . A A . 37 ILE CG1 1 1
1 509 1 1 37 ILE CG2 C -6.748 5.855 -2.081 1.00 . A A . 37 ILE CG2 1 1
1 510 1 1 37 ILE H H -9.605 3.002 -2.447 1.00 . A A . 37 ILE H 1 1
1 511 1 1 37 ILE HA H -9.305 5.795 -3.168 1.00 . A A . 37 ILE HA 1 1
1 512 1 1 37 ILE HB H -7.356 3.795 -1.954 1.00 . A A . 37 ILE HB 1 1
1 513 1 1 37 ILE HD11 H -6.950 5.129 0.707 1.00 . A A . 37 ILE HD11 1 1
1 514 1 1 37 ILE HD12 H -8.484 4.670 1.451 1.00 . A A . 37 ILE HD12 1 1
1 515 1 1 37 ILE HD13 H -7.576 3.476 0.502 1.00 . A A . 37 ILE HD13 1 1
1 516 1 1 37 ILE HG12 H -8.935 6.002 -0.562 1.00 . A A . 37 ILE HG12 1 1
1 517 1 1 37 ILE HG13 H -9.533 4.343 -0.682 1.00 . A A . 37 ILE HG13 1 1
1 518 1 1 37 ILE HG21 H -6.091 5.831 -1.213 1.00 . A A . 37 ILE HG21 1 1
1 519 1 1 37 ILE HG22 H -6.128 5.691 -2.963 1.00 . A A . 37 ILE HG22 1 1
1 520 1 1 37 ILE HG23 H -7.206 6.842 -2.149 1.00 . A A . 37 ILE HG23 1 1
1 521 1 1 37 ILE N N -9.769 3.760 -3.092 1.00 . A A . 37 ILE N 1 1
1 522 1 1 37 ILE O O -7.506 3.625 -4.811 1.00 . A A . 37 ILE O 1 1
1 523 1 1 38 ALA C C -5.619 5.685 -6.289 1.00 . A A . 38 ALA C 1 1
1 524 1 1 38 ALA CA C -7.131 5.734 -6.528 1.00 . A A . 38 ALA CA 1 1
1 525 1 1 38 ALA CB C -7.501 6.890 -7.444 1.00 . A A . 38 ALA CB 1 1
1 526 1 1 38 ALA H H -8.327 6.647 -5.007 1.00 . A A . 38 ALA H 1 1
1 527 1 1 38 ALA HA H -7.406 4.824 -7.065 1.00 . A A . 38 ALA HA 1 1
1 528 1 1 38 ALA HB1 H -8.567 6.859 -7.665 1.00 . A A . 38 ALA HB1 1 1
1 529 1 1 38 ALA HB2 H -7.238 7.841 -6.983 1.00 . A A . 38 ALA HB2 1 1
1 530 1 1 38 ALA HB3 H -6.932 6.751 -8.363 1.00 . A A . 38 ALA HB3 1 1
1 531 1 1 38 ALA N N -7.888 5.782 -5.281 1.00 . A A . 38 ALA N 1 1
1 532 1 1 38 ALA O O -4.968 6.689 -5.989 1.00 . A A . 38 ALA O 1 1
1 533 1 1 39 ILE C C -2.993 4.294 -7.748 1.00 . A A . 39 ILE C 1 1
1 534 1 1 39 ILE CA C -3.647 4.214 -6.366 1.00 . A A . 39 ILE CA 1 1
1 535 1 1 39 ILE CB C -3.401 2.858 -5.693 1.00 . A A . 39 ILE CB 1 1
1 536 1 1 39 ILE CD1 C -3.605 3.768 -3.279 1.00 . A A . 39 ILE CD1 1 1
1 537 1 1 39 ILE CG1 C -4.093 2.756 -4.324 1.00 . A A . 39 ILE CG1 1 1
1 538 1 1 39 ILE CG2 C -1.894 2.639 -5.537 1.00 . A A . 39 ILE CG2 1 1
1 539 1 1 39 ILE H H -5.699 3.740 -6.708 1.00 . A A . 39 ILE H 1 1
1 540 1 1 39 ILE HA H -3.187 4.975 -5.740 1.00 . A A . 39 ILE HA 1 1
1 541 1 1 39 ILE HB H -3.804 2.067 -6.328 1.00 . A A . 39 ILE HB 1 1
1 542 1 1 39 ILE HD11 H -3.801 4.788 -3.608 1.00 . A A . 39 ILE HD11 1 1
1 543 1 1 39 ILE HD12 H -4.142 3.606 -2.345 1.00 . A A . 39 ILE HD12 1 1
1 544 1 1 39 ILE HD13 H -2.540 3.643 -3.089 1.00 . A A . 39 ILE HD13 1 1
1 545 1 1 39 ILE HG12 H -5.167 2.866 -4.445 1.00 . A A . 39 ILE HG12 1 1
1 546 1 1 39 ILE HG13 H -3.918 1.752 -3.951 1.00 . A A . 39 ILE HG13 1 1
1 547 1 1 39 ILE HG21 H -1.451 2.428 -6.511 1.00 . A A . 39 ILE HG21 1 1
1 548 1 1 39 ILE HG22 H -1.438 3.535 -5.122 1.00 . A A . 39 ILE HG22 1 1
1 549 1 1 39 ILE HG23 H -1.700 1.803 -4.867 1.00 . A A . 39 ILE HG23 1 1
1 550 1 1 39 ILE N N -5.071 4.486 -6.455 1.00 . A A . 39 ILE N 1 1
1 551 1 1 39 ILE O O -3.516 3.773 -8.730 1.00 . A A . 39 ILE O 1 1
1 552 1 1 40 ASP C C 0.370 5.562 -8.497 1.00 . A A . 40 ASP C 1 1
1 553 1 1 40 ASP CA C -1.051 5.246 -8.970 1.00 . A A . 40 ASP CA 1 1
1 554 1 1 40 ASP CB C -1.694 6.451 -9.671 1.00 . A A . 40 ASP CB 1 1
1 555 1 1 40 ASP CG C -0.962 6.984 -10.888 1.00 . A A . 40 ASP CG 1 1
1 556 1 1 40 ASP H H -1.468 5.334 -6.931 1.00 . A A . 40 ASP H 1 1
1 557 1 1 40 ASP HA H -1.034 4.384 -9.641 1.00 . A A . 40 ASP HA 1 1
1 558 1 1 40 ASP HB2 H -2.695 6.185 -9.988 1.00 . A A . 40 ASP HB2 1 1
1 559 1 1 40 ASP HB3 H -1.717 7.266 -8.959 1.00 . A A . 40 ASP HB3 1 1
1 560 1 1 40 ASP N N -1.843 4.963 -7.789 1.00 . A A . 40 ASP N 1 1
1 561 1 1 40 ASP O O 0.612 5.774 -7.306 1.00 . A A . 40 ASP O 1 1
1 562 1 1 40 ASP OD1 O -0.101 7.859 -10.659 1.00 . A A . 40 ASP OD1 1 1
1 563 1 1 40 ASP OD2 O -1.267 6.534 -12.008 1.00 . A A . 40 ASP OD2 1 1
1 564 1 1 41 LYS C C 2.749 7.602 -8.785 1.00 . A A . 41 LYS C 1 1
1 565 1 1 41 LYS CA C 2.648 6.151 -9.291 1.00 . A A . 41 LYS CA 1 1
1 566 1 1 41 LYS CB C 3.434 5.903 -10.584 1.00 . A A . 41 LYS CB 1 1
1 567 1 1 41 LYS CD C 3.399 5.721 -13.047 1.00 . A A . 41 LYS CD 1 1
1 568 1 1 41 LYS CE C 2.770 6.074 -14.394 1.00 . A A . 41 LYS CE 1 1
1 569 1 1 41 LYS CG C 2.820 6.504 -11.862 1.00 . A A . 41 LYS CG 1 1
1 570 1 1 41 LYS H H 0.906 5.420 -10.360 1.00 . A A . 41 LYS H 1 1
1 571 1 1 41 LYS HA H 3.111 5.534 -8.519 1.00 . A A . 41 LYS HA 1 1
1 572 1 1 41 LYS HB2 H 4.455 6.270 -10.473 1.00 . A A . 41 LYS HB2 1 1
1 573 1 1 41 LYS HB3 H 3.478 4.821 -10.696 1.00 . A A . 41 LYS HB3 1 1
1 574 1 1 41 LYS HD2 H 4.480 5.865 -13.076 1.00 . A A . 41 LYS HD2 1 1
1 575 1 1 41 LYS HD3 H 3.168 4.668 -12.874 1.00 . A A . 41 LYS HD3 1 1
1 576 1 1 41 LYS HE2 H 1.688 5.937 -14.317 1.00 . A A . 41 LYS HE2 1 1
1 577 1 1 41 LYS HE3 H 2.972 7.121 -14.633 1.00 . A A . 41 LYS HE3 1 1
1 578 1 1 41 LYS HG2 H 1.736 6.385 -11.875 1.00 . A A . 41 LYS HG2 1 1
1 579 1 1 41 LYS HG3 H 3.051 7.568 -11.930 1.00 . A A . 41 LYS HG3 1 1
1 580 1 1 41 LYS HZ1 H 4.283 5.348 -15.619 1.00 . A A . 41 LYS HZ1 1 1
1 581 1 1 41 LYS HZ2 H 3.277 4.195 -15.196 1.00 . A A . 41 LYS HZ2 1 1
1 582 1 1 41 LYS HZ3 H 2.799 5.285 -16.325 1.00 . A A . 41 LYS HZ3 1 1
1 583 1 1 41 LYS N N 1.279 5.667 -9.450 1.00 . A A . 41 LYS N 1 1
1 584 1 1 41 LYS NZ N 3.301 5.189 -15.457 1.00 . A A . 41 LYS NZ 1 1
1 585 1 1 41 LYS O O 3.832 8.055 -8.420 1.00 . A A . 41 LYS O 1 1
1 586 1 1 42 LYS C C 1.203 9.188 -6.501 1.00 . A A . 42 LYS C 1 1
1 587 1 1 42 LYS CA C 1.465 9.554 -7.972 1.00 . A A . 42 LYS CA 1 1
1 588 1 1 42 LYS CB C 0.308 10.307 -8.655 1.00 . A A . 42 LYS CB 1 1
1 589 1 1 42 LYS CD C -0.989 12.372 -9.146 1.00 . A A . 42 LYS CD 1 1
1 590 1 1 42 LYS CE C -0.596 13.477 -10.136 1.00 . A A . 42 LYS CE 1 1
1 591 1 1 42 LYS CG C 0.228 11.811 -8.382 1.00 . A A . 42 LYS CG 1 1
1 592 1 1 42 LYS H H 0.794 7.964 -9.171 1.00 . A A . 42 LYS H 1 1
1 593 1 1 42 LYS HA H 2.380 10.146 -8.035 1.00 . A A . 42 LYS HA 1 1
1 594 1 1 42 LYS HB2 H 0.446 10.204 -9.733 1.00 . A A . 42 LYS HB2 1 1
1 595 1 1 42 LYS HB3 H -0.643 9.838 -8.399 1.00 . A A . 42 LYS HB3 1 1
1 596 1 1 42 LYS HD2 H -1.470 11.562 -9.701 1.00 . A A . 42 LYS HD2 1 1
1 597 1 1 42 LYS HD3 H -1.715 12.751 -8.423 1.00 . A A . 42 LYS HD3 1 1
1 598 1 1 42 LYS HE2 H -0.221 14.341 -9.580 1.00 . A A . 42 LYS HE2 1 1
1 599 1 1 42 LYS HE3 H 0.205 13.110 -10.784 1.00 . A A . 42 LYS HE3 1 1
1 600 1 1 42 LYS HG2 H 0.119 11.988 -7.310 1.00 . A A . 42 LYS HG2 1 1
1 601 1 1 42 LYS HG3 H 1.156 12.277 -8.723 1.00 . A A . 42 LYS HG3 1 1
1 602 1 1 42 LYS HZ1 H -2.069 13.087 -11.520 1.00 . A A . 42 LYS HZ1 1 1
1 603 1 1 42 LYS HZ2 H -2.507 14.207 -10.401 1.00 . A A . 42 LYS HZ2 1 1
1 604 1 1 42 LYS HZ3 H -1.477 14.615 -11.616 1.00 . A A . 42 LYS HZ3 1 1
1 605 1 1 42 LYS N N 1.629 8.319 -8.707 1.00 . A A . 42 LYS N 1 1
1 606 1 1 42 LYS NZ N -1.746 13.878 -10.978 1.00 . A A . 42 LYS NZ 1 1
1 607 1 1 42 LYS O O 2.054 9.400 -5.638 1.00 . A A . 42 LYS O 1 1
1 608 1 1 43 SER C C 0.572 7.486 -4.035 1.00 . A A . 43 SER C 1 1
1 609 1 1 43 SER CA C -0.414 8.336 -4.850 1.00 . A A . 43 SER CA 1 1
1 610 1 1 43 SER CB C -1.810 7.686 -4.887 1.00 . A A . 43 SER CB 1 1
1 611 1 1 43 SER H H -0.627 8.393 -6.939 1.00 . A A . 43 SER H 1 1
1 612 1 1 43 SER HA H -0.497 9.319 -4.402 1.00 . A A . 43 SER HA 1 1
1 613 1 1 43 SER HB2 H -1.713 6.606 -4.995 1.00 . A A . 43 SER HB2 1 1
1 614 1 1 43 SER HB3 H -2.332 7.891 -3.950 1.00 . A A . 43 SER HB3 1 1
1 615 1 1 43 SER HG H -3.435 7.736 -6.002 1.00 . A A . 43 SER HG 1 1
1 616 1 1 43 SER N N 0.043 8.590 -6.207 1.00 . A A . 43 SER N 1 1
1 617 1 1 43 SER O O 1.023 7.888 -2.959 1.00 . A A . 43 SER O 1 1
1 618 1 1 43 SER OG O -2.568 8.176 -5.981 1.00 . A A . 43 SER OG 1 1
1 619 1 1 44 ALA C C 3.135 5.687 -3.619 1.00 . A A . 44 ALA C 1 1
1 620 1 1 44 ALA CA C 1.712 5.258 -3.974 1.00 . A A . 44 ALA CA 1 1
1 621 1 1 44 ALA CB C 1.808 4.086 -4.948 1.00 . A A . 44 ALA CB 1 1
1 622 1 1 44 ALA H H 0.577 6.145 -5.532 1.00 . A A . 44 ALA H 1 1
1 623 1 1 44 ALA HA H 1.218 4.911 -3.066 1.00 . A A . 44 ALA HA 1 1
1 624 1 1 44 ALA HB1 H 0.818 3.702 -5.185 1.00 . A A . 44 ALA HB1 1 1
1 625 1 1 44 ALA HB2 H 2.307 4.395 -5.867 1.00 . A A . 44 ALA HB2 1 1
1 626 1 1 44 ALA HB3 H 2.401 3.306 -4.474 1.00 . A A . 44 ALA HB3 1 1
1 627 1 1 44 ALA N N 0.904 6.312 -4.585 1.00 . A A . 44 ALA N 1 1
1 628 1 1 44 ALA O O 3.797 5.033 -2.815 1.00 . A A . 44 ALA O 1 1
1 629 1 1 45 HIS C C 4.929 8.571 -3.193 1.00 . A A . 45 HIS C 1 1
1 630 1 1 45 HIS CA C 4.959 7.291 -4.035 1.00 . A A . 45 HIS CA 1 1
1 631 1 1 45 HIS CB C 5.628 7.561 -5.377 1.00 . A A . 45 HIS CB 1 1
1 632 1 1 45 HIS CD2 C 6.089 5.056 -5.899 1.00 . A A . 45 HIS CD2 1 1
1 633 1 1 45 HIS CE1 C 6.034 5.182 -8.082 1.00 . A A . 45 HIS CE1 1 1
1 634 1 1 45 HIS CG C 5.804 6.352 -6.257 1.00 . A A . 45 HIS CG 1 1
1 635 1 1 45 HIS H H 3.046 7.194 -4.959 1.00 . A A . 45 HIS H 1 1
1 636 1 1 45 HIS HA H 5.572 6.567 -3.503 1.00 . A A . 45 HIS HA 1 1
1 637 1 1 45 HIS HB2 H 5.025 8.294 -5.917 1.00 . A A . 45 HIS HB2 1 1
1 638 1 1 45 HIS HB3 H 6.610 8.003 -5.208 1.00 . A A . 45 HIS HB3 1 1
1 639 1 1 45 HIS HD1 H 5.471 7.216 -8.163 1.00 . A A . 45 HIS HD1 1 1
1 640 1 1 45 HIS HD2 H 6.189 4.685 -4.892 1.00 . A A . 45 HIS HD2 1 1
1 641 1 1 45 HIS HE1 H 6.069 4.965 -9.134 1.00 . A A . 45 HIS HE1 1 1
1 642 1 1 45 HIS N N 3.630 6.745 -4.266 1.00 . A A . 45 HIS N 1 1
1 643 1 1 45 HIS ND1 N 5.765 6.407 -7.621 1.00 . A A . 45 HIS ND1 1 1
1 644 1 1 45 HIS NE2 N 6.239 4.309 -7.078 1.00 . A A . 45 HIS NE2 1 1
1 645 1 1 45 HIS O O 5.945 8.934 -2.604 1.00 . A A . 45 HIS O 1 1
1 646 1 1 46 LYS C C 3.458 10.270 -0.912 1.00 . A A . 46 LYS C 1 1
1 647 1 1 46 LYS CA C 3.667 10.514 -2.403 1.00 . A A . 46 LYS CA 1 1
1 648 1 1 46 LYS CB C 2.507 11.330 -2.990 1.00 . A A . 46 LYS CB 1 1
1 649 1 1 46 LYS CD C 1.486 13.602 -3.278 1.00 . A A . 46 LYS CD 1 1
1 650 1 1 46 LYS CE C 1.589 15.108 -3.001 1.00 . A A . 46 LYS CE 1 1
1 651 1 1 46 LYS CG C 2.604 12.807 -2.587 1.00 . A A . 46 LYS CG 1 1
1 652 1 1 46 LYS H H 2.958 8.878 -3.578 1.00 . A A . 46 LYS H 1 1
1 653 1 1 46 LYS HA H 4.588 11.085 -2.537 1.00 . A A . 46 LYS HA 1 1
1 654 1 1 46 LYS HB2 H 2.560 11.256 -4.070 1.00 . A A . 46 LYS HB2 1 1
1 655 1 1 46 LYS HB3 H 1.545 10.921 -2.677 1.00 . A A . 46 LYS HB3 1 1
1 656 1 1 46 LYS HD2 H 1.577 13.446 -4.356 1.00 . A A . 46 LYS HD2 1 1
1 657 1 1 46 LYS HD3 H 0.511 13.218 -2.968 1.00 . A A . 46 LYS HD3 1 1
1 658 1 1 46 LYS HE2 H 2.598 15.450 -3.248 1.00 . A A . 46 LYS HE2 1 1
1 659 1 1 46 LYS HE3 H 0.890 15.631 -3.659 1.00 . A A . 46 LYS HE3 1 1
1 660 1 1 46 LYS HG2 H 2.531 12.885 -1.501 1.00 . A A . 46 LYS HG2 1 1
1 661 1 1 46 LYS HG3 H 3.575 13.192 -2.907 1.00 . A A . 46 LYS HG3 1 1
1 662 1 1 46 LYS HZ1 H 0.327 15.148 -1.370 1.00 . A A . 46 LYS HZ1 1 1
1 663 1 1 46 LYS HZ2 H 1.905 14.963 -0.965 1.00 . A A . 46 LYS HZ2 1 1
1 664 1 1 46 LYS HZ3 H 1.348 16.433 -1.441 1.00 . A A . 46 LYS HZ3 1 1
1 665 1 1 46 LYS N N 3.783 9.253 -3.123 1.00 . A A . 46 LYS N 1 1
1 666 1 1 46 LYS NZ N 1.270 15.436 -1.593 1.00 . A A . 46 LYS NZ 1 1
1 667 1 1 46 LYS O O 4.219 10.765 -0.081 1.00 . A A . 46 LYS O 1 1
1 668 1 1 47 ASP C C 1.148 8.169 1.051 1.00 . A A . 47 ASP C 1 1
1 669 1 1 47 ASP CA C 1.804 9.525 0.737 1.00 . A A . 47 ASP CA 1 1
1 670 1 1 47 ASP CB C 0.836 10.718 0.830 1.00 . A A . 47 ASP CB 1 1
1 671 1 1 47 ASP CG C 0.627 11.207 2.250 1.00 . A A . 47 ASP CG 1 1
1 672 1 1 47 ASP H H 1.852 9.170 -1.384 1.00 . A A . 47 ASP H 1 1
1 673 1 1 47 ASP HA H 2.609 9.664 1.462 1.00 . A A . 47 ASP HA 1 1
1 674 1 1 47 ASP HB2 H 1.252 11.566 0.290 1.00 . A A . 47 ASP HB2 1 1
1 675 1 1 47 ASP HB3 H -0.135 10.477 0.401 1.00 . A A . 47 ASP HB3 1 1
1 676 1 1 47 ASP N N 2.379 9.548 -0.602 1.00 . A A . 47 ASP N 1 1
1 677 1 1 47 ASP O O 1.574 7.455 1.962 1.00 . A A . 47 ASP O 1 1
1 678 1 1 47 ASP OD1 O 0.797 10.382 3.173 1.00 . A A . 47 ASP OD1 1 1
1 679 1 1 47 ASP OD2 O 0.337 12.414 2.375 1.00 . A A . 47 ASP OD2 1 1
1 680 1 1 48 ALA C C 0.588 5.348 0.269 1.00 . A A . 48 ALA C 1 1
1 681 1 1 48 ALA CA C -0.471 6.460 0.329 1.00 . A A . 48 ALA CA 1 1
1 682 1 1 48 ALA CB C -1.504 6.304 -0.790 1.00 . A A . 48 ALA CB 1 1
1 683 1 1 48 ALA H H -0.108 8.387 -0.515 1.00 . A A . 48 ALA H 1 1
1 684 1 1 48 ALA HA H -0.996 6.401 1.284 1.00 . A A . 48 ALA HA 1 1
1 685 1 1 48 ALA HB1 H -2.249 7.096 -0.717 1.00 . A A . 48 ALA HB1 1 1
1 686 1 1 48 ALA HB2 H -1.012 6.357 -1.761 1.00 . A A . 48 ALA HB2 1 1
1 687 1 1 48 ALA HB3 H -2.003 5.338 -0.697 1.00 . A A . 48 ALA HB3 1 1
1 688 1 1 48 ALA N N 0.153 7.778 0.245 1.00 . A A . 48 ALA N 1 1
1 689 1 1 48 ALA O O 1.523 5.423 -0.528 1.00 . A A . 48 ALA O 1 1
1 690 1 1 49 CYS C C 2.752 3.897 2.067 1.00 . A A . 49 CYS C 1 1
1 691 1 1 49 CYS CA C 1.480 3.319 1.422 1.00 . A A . 49 CYS CA 1 1
1 692 1 1 49 CYS CB C 1.820 2.502 0.186 1.00 . A A . 49 CYS CB 1 1
1 693 1 1 49 CYS H H -0.328 4.386 1.770 1.00 . A A . 49 CYS H 1 1
1 694 1 1 49 CYS HA H 1.065 2.663 2.176 1.00 . A A . 49 CYS HA 1 1
1 695 1 1 49 CYS HB2 H 2.508 3.099 -0.409 1.00 . A A . 49 CYS HB2 1 1
1 696 1 1 49 CYS HB3 H 2.356 1.604 0.482 1.00 . A A . 49 CYS HB3 1 1
1 697 1 1 49 CYS N N 0.475 4.357 1.162 1.00 . A A . 49 CYS N 1 1
1 698 1 1 49 CYS O O 3.103 3.550 3.199 1.00 . A A . 49 CYS O 1 1
1 699 1 1 49 CYS SG S 0.455 2.115 -0.971 1.00 . A A . 49 CYS SG 1 1
1 700 1 1 50 LYS C C 4.664 5.899 3.205 1.00 . A A . 50 LYS C 1 1
1 701 1 1 50 LYS CA C 4.670 5.443 1.748 1.00 . A A . 50 LYS CA 1 1
1 702 1 1 50 LYS CB C 4.932 6.629 0.818 1.00 . A A . 50 LYS CB 1 1
1 703 1 1 50 LYS CD C 6.862 6.531 -0.862 1.00 . A A . 50 LYS CD 1 1
1 704 1 1 50 LYS CE C 7.872 5.829 0.052 1.00 . A A . 50 LYS CE 1 1
1 705 1 1 50 LYS CG C 5.402 6.159 -0.561 1.00 . A A . 50 LYS CG 1 1
1 706 1 1 50 LYS H H 3.044 5.067 0.446 1.00 . A A . 50 LYS H 1 1
1 707 1 1 50 LYS HA H 5.486 4.728 1.642 1.00 . A A . 50 LYS HA 1 1
1 708 1 1 50 LYS HB2 H 4.009 7.201 0.706 1.00 . A A . 50 LYS HB2 1 1
1 709 1 1 50 LYS HB3 H 5.673 7.289 1.256 1.00 . A A . 50 LYS HB3 1 1
1 710 1 1 50 LYS HD2 H 7.070 6.251 -1.896 1.00 . A A . 50 LYS HD2 1 1
1 711 1 1 50 LYS HD3 H 6.967 7.614 -0.773 1.00 . A A . 50 LYS HD3 1 1
1 712 1 1 50 LYS HE2 H 7.716 6.151 1.084 1.00 . A A . 50 LYS HE2 1 1
1 713 1 1 50 LYS HE3 H 7.711 4.749 0.004 1.00 . A A . 50 LYS HE3 1 1
1 714 1 1 50 LYS HG2 H 5.243 5.087 -0.690 1.00 . A A . 50 LYS HG2 1 1
1 715 1 1 50 LYS HG3 H 4.763 6.670 -1.277 1.00 . A A . 50 LYS HG3 1 1
1 716 1 1 50 LYS HZ1 H 9.925 5.729 0.266 1.00 . A A . 50 LYS HZ1 1 1
1 717 1 1 50 LYS HZ2 H 9.425 5.801 -1.299 1.00 . A A . 50 LYS HZ2 1 1
1 718 1 1 50 LYS HZ3 H 9.393 7.150 -0.373 1.00 . A A . 50 LYS HZ3 1 1
1 719 1 1 50 LYS N N 3.436 4.790 1.344 1.00 . A A . 50 LYS N 1 1
1 720 1 1 50 LYS NZ N 9.255 6.149 -0.365 1.00 . A A . 50 LYS NZ 1 1
1 721 1 1 50 LYS O O 5.487 5.427 3.977 1.00 . A A . 50 LYS O 1 1
1 722 1 1 51 THR C C 3.754 6.452 6.058 1.00 . A A . 51 THR C 1 1
1 723 1 1 51 THR CA C 3.855 7.464 4.910 1.00 . A A . 51 THR CA 1 1
1 724 1 1 51 THR CB C 2.804 8.575 5.003 1.00 . A A . 51 THR CB 1 1
1 725 1 1 51 THR CG2 C 2.796 9.263 6.369 1.00 . A A . 51 THR CG2 1 1
1 726 1 1 51 THR H H 3.105 7.166 2.921 1.00 . A A . 51 THR H 1 1
1 727 1 1 51 THR HA H 4.828 7.947 4.998 1.00 . A A . 51 THR HA 1 1
1 728 1 1 51 THR HB H 1.811 8.172 4.787 1.00 . A A . 51 THR HB 1 1
1 729 1 1 51 THR HG1 H 2.304 9.974 3.762 1.00 . A A . 51 THR HG1 1 1
1 730 1 1 51 THR HG21 H 3.797 9.621 6.610 1.00 . A A . 51 THR HG21 1 1
1 731 1 1 51 THR HG22 H 2.115 10.114 6.334 1.00 . A A . 51 THR HG22 1 1
1 732 1 1 51 THR HG23 H 2.458 8.578 7.146 1.00 . A A . 51 THR HG23 1 1
1 733 1 1 51 THR N N 3.793 6.830 3.590 1.00 . A A . 51 THR N 1 1
1 734 1 1 51 THR O O 4.489 6.550 7.040 1.00 . A A . 51 THR O 1 1
1 735 1 1 51 THR OG1 O 3.137 9.550 4.041 1.00 . A A . 51 THR OG1 1 1
1 736 1 1 52 CYS C C 4.156 3.597 6.950 1.00 . A A . 52 CYS C 1 1
1 737 1 1 52 CYS CA C 2.824 4.351 6.896 1.00 . A A . 52 CYS CA 1 1
1 738 1 1 52 CYS CB C 1.676 3.437 6.570 1.00 . A A . 52 CYS CB 1 1
1 739 1 1 52 CYS H H 2.363 5.371 5.065 1.00 . A A . 52 CYS H 1 1
1 740 1 1 52 CYS HA H 2.644 4.770 7.888 1.00 . A A . 52 CYS HA 1 1
1 741 1 1 52 CYS HB2 H 0.762 4.028 6.523 1.00 . A A . 52 CYS HB2 1 1
1 742 1 1 52 CYS HB3 H 1.848 2.958 5.607 1.00 . A A . 52 CYS HB3 1 1
1 743 1 1 52 CYS N N 2.889 5.443 5.925 1.00 . A A . 52 CYS N 1 1
1 744 1 1 52 CYS O O 4.767 3.478 8.009 1.00 . A A . 52 CYS O 1 1
1 745 1 1 52 CYS SG S 1.518 2.186 7.875 1.00 . A A . 52 CYS SG 1 1
1 746 1 1 53 HIS C C 7.079 3.344 6.353 1.00 . A A . 53 HIS C 1 1
1 747 1 1 53 HIS CA C 5.954 2.503 5.695 1.00 . A A . 53 HIS CA 1 1
1 748 1 1 53 HIS CB C 6.211 2.184 4.214 1.00 . A A . 53 HIS CB 1 1
1 749 1 1 53 HIS CD2 C 4.385 0.352 4.198 1.00 . A A . 53 HIS CD2 1 1
1 750 1 1 53 HIS CE1 C 4.971 -0.719 2.392 1.00 . A A . 53 HIS CE1 1 1
1 751 1 1 53 HIS CG C 5.495 0.968 3.688 1.00 . A A . 53 HIS CG 1 1
1 752 1 1 53 HIS H H 4.112 3.301 4.942 1.00 . A A . 53 HIS H 1 1
1 753 1 1 53 HIS HA H 5.920 1.563 6.249 1.00 . A A . 53 HIS HA 1 1
1 754 1 1 53 HIS HB2 H 5.895 3.025 3.601 1.00 . A A . 53 HIS HB2 1 1
1 755 1 1 53 HIS HB3 H 7.282 2.050 4.068 1.00 . A A . 53 HIS HB3 1 1
1 756 1 1 53 HIS HD1 H 6.636 0.489 1.958 1.00 . A A . 53 HIS HD1 1 1
1 757 1 1 53 HIS HD2 H 3.843 0.642 5.082 1.00 . A A . 53 HIS HD2 1 1
1 758 1 1 53 HIS HE1 H 5.004 -1.425 1.578 1.00 . A A . 53 HIS HE1 1 1
1 759 1 1 53 HIS N N 4.648 3.144 5.793 1.00 . A A . 53 HIS N 1 1
1 760 1 1 53 HIS ND1 N 5.850 0.287 2.556 1.00 . A A . 53 HIS ND1 1 1
1 761 1 1 53 HIS NE2 N 4.051 -0.736 3.370 1.00 . A A . 53 HIS NE2 1 1
1 762 1 1 53 HIS O O 7.806 2.836 7.203 1.00 . A A . 53 HIS O 1 1
1 763 1 1 54 LYS C C 7.947 5.661 8.135 1.00 . A A . 54 LYS C 1 1
1 764 1 1 54 LYS CA C 8.090 5.615 6.609 1.00 . A A . 54 LYS CA 1 1
1 765 1 1 54 LYS CB C 7.790 7.000 6.069 1.00 . A A . 54 LYS CB 1 1
1 766 1 1 54 LYS CD C 8.302 8.679 4.440 1.00 . A A . 54 LYS CD 1 1
1 767 1 1 54 LYS CE C 8.128 9.159 2.994 1.00 . A A . 54 LYS CE 1 1
1 768 1 1 54 LYS CG C 8.185 7.169 4.607 1.00 . A A . 54 LYS CG 1 1
1 769 1 1 54 LYS H H 6.536 4.964 5.311 1.00 . A A . 54 LYS H 1 1
1 770 1 1 54 LYS HA H 9.134 5.490 6.327 1.00 . A A . 54 LYS HA 1 1
1 771 1 1 54 LYS HB2 H 6.743 7.257 6.213 1.00 . A A . 54 LYS HB2 1 1
1 772 1 1 54 LYS HB3 H 8.407 7.685 6.648 1.00 . A A . 54 LYS HB3 1 1
1 773 1 1 54 LYS HD2 H 7.530 9.131 5.064 1.00 . A A . 54 LYS HD2 1 1
1 774 1 1 54 LYS HD3 H 9.279 8.917 4.867 1.00 . A A . 54 LYS HD3 1 1
1 775 1 1 54 LYS HE2 H 9.023 8.910 2.418 1.00 . A A . 54 LYS HE2 1 1
1 776 1 1 54 LYS HE3 H 7.272 8.644 2.552 1.00 . A A . 54 LYS HE3 1 1
1 777 1 1 54 LYS HG2 H 9.147 6.691 4.424 1.00 . A A . 54 LYS HG2 1 1
1 778 1 1 54 LYS HG3 H 7.433 6.729 3.962 1.00 . A A . 54 LYS HG3 1 1
1 779 1 1 54 LYS HZ1 H 7.727 10.921 1.987 1.00 . A A . 54 LYS HZ1 1 1
1 780 1 1 54 LYS HZ2 H 7.017 10.829 3.459 1.00 . A A . 54 LYS HZ2 1 1
1 781 1 1 54 LYS HZ3 H 8.630 11.131 3.348 1.00 . A A . 54 LYS HZ3 1 1
1 782 1 1 54 LYS N N 7.206 4.625 5.984 1.00 . A A . 54 LYS N 1 1
1 783 1 1 54 LYS NZ N 7.861 10.615 2.941 1.00 . A A . 54 LYS NZ 1 1
1 784 1 1 54 LYS O O 8.939 5.729 8.854 1.00 . A A . 54 LYS O 1 1
1 785 1 1 55 SER C C 6.856 4.534 10.850 1.00 . A A . 55 SER C 1 1
1 786 1 1 55 SER CA C 6.409 5.766 10.051 1.00 . A A . 55 SER CA 1 1
1 787 1 1 55 SER CB C 4.909 5.999 10.259 1.00 . A A . 55 SER CB 1 1
1 788 1 1 55 SER H H 5.922 5.657 7.973 1.00 . A A . 55 SER H 1 1
1 789 1 1 55 SER HA H 6.937 6.631 10.455 1.00 . A A . 55 SER HA 1 1
1 790 1 1 55 SER HB2 H 4.579 6.849 9.659 1.00 . A A . 55 SER HB2 1 1
1 791 1 1 55 SER HB3 H 4.351 5.113 9.950 1.00 . A A . 55 SER HB3 1 1
1 792 1 1 55 SER HG H 5.199 5.687 12.171 1.00 . A A . 55 SER HG 1 1
1 793 1 1 55 SER N N 6.703 5.678 8.624 1.00 . A A . 55 SER N 1 1
1 794 1 1 55 SER O O 6.809 4.568 12.081 1.00 . A A . 55 SER O 1 1
1 795 1 1 55 SER OG O 4.658 6.275 11.625 1.00 . A A . 55 SER OG 1 1
1 796 1 1 56 ASN C C 9.084 1.851 10.149 1.00 . A A . 56 ASN C 1 1
1 797 1 1 56 ASN CA C 7.763 2.238 10.832 1.00 . A A . 56 ASN CA 1 1
1 798 1 1 56 ASN CB C 6.725 1.104 10.726 1.00 . A A . 56 ASN CB 1 1
1 799 1 1 56 ASN CG C 5.339 1.407 11.298 1.00 . A A . 56 ASN CG 1 1
1 800 1 1 56 ASN H H 7.277 3.438 9.180 1.00 . A A . 56 ASN H 1 1
1 801 1 1 56 ASN HA H 7.996 2.418 11.883 1.00 . A A . 56 ASN HA 1 1
1 802 1 1 56 ASN HB2 H 6.599 0.839 9.675 1.00 . A A . 56 ASN HB2 1 1
1 803 1 1 56 ASN HB3 H 7.086 0.227 11.262 1.00 . A A . 56 ASN HB3 1 1
1 804 1 1 56 ASN HD21 H 5.986 2.926 12.506 1.00 . A A . 56 ASN HD21 1 1
1 805 1 1 56 ASN HD22 H 4.284 2.487 12.603 1.00 . A A . 56 ASN HD22 1 1
1 806 1 1 56 ASN N N 7.235 3.433 10.192 1.00 . A A . 56 ASN N 1 1
1 807 1 1 56 ASN ND2 N 5.211 2.324 12.247 1.00 . A A . 56 ASN ND2 1 1
1 808 1 1 56 ASN O O 9.623 2.579 9.320 1.00 . A A . 56 ASN O 1 1
1 809 1 1 56 ASN OD1 O 4.362 0.781 10.908 1.00 . A A . 56 ASN OD1 1 1
1 810 1 1 57 ASN C C 10.345 -0.491 8.398 1.00 . A A . 57 ASN C 1 1
1 811 1 1 57 ASN CA C 10.757 0.102 9.756 1.00 . A A . 57 ASN CA 1 1
1 812 1 1 57 ASN CB C 11.434 -0.933 10.665 1.00 . A A . 57 ASN CB 1 1
1 813 1 1 57 ASN CG C 11.792 -0.330 12.018 1.00 . A A . 57 ASN CG 1 1
1 814 1 1 57 ASN H H 9.096 0.097 11.113 1.00 . A A . 57 ASN H 1 1
1 815 1 1 57 ASN HA H 11.486 0.892 9.563 1.00 . A A . 57 ASN HA 1 1
1 816 1 1 57 ASN HB2 H 10.775 -1.790 10.810 1.00 . A A . 57 ASN HB2 1 1
1 817 1 1 57 ASN HB3 H 12.353 -1.278 10.190 1.00 . A A . 57 ASN HB3 1 1
1 818 1 1 57 ASN HD21 H 10.173 -1.168 12.936 1.00 . A A . 57 ASN HD21 1 1
1 819 1 1 57 ASN HD22 H 11.219 -0.154 13.921 1.00 . A A . 57 ASN HD22 1 1
1 820 1 1 57 ASN N N 9.593 0.658 10.444 1.00 . A A . 57 ASN N 1 1
1 821 1 1 57 ASN ND2 N 10.975 -0.569 13.037 1.00 . A A . 57 ASN ND2 1 1
1 822 1 1 57 ASN O O 10.614 -1.656 8.114 1.00 . A A . 57 ASN O 1 1
1 823 1 1 57 ASN OD1 O 12.791 0.361 12.159 1.00 . A A . 57 ASN OD1 1 1
1 824 1 1 58 GLY C C 10.223 -0.487 5.265 1.00 . A A . 58 GLY C 1 1
1 825 1 1 58 GLY CA C 9.125 -0.194 6.297 1.00 . A A . 58 GLY CA 1 1
1 826 1 1 58 GLY H H 9.476 1.261 7.834 1.00 . A A . 58 GLY H 1 1
1 827 1 1 58 GLY HA2 H 8.547 -1.098 6.493 1.00 . A A . 58 GLY HA2 1 1
1 828 1 1 58 GLY HA3 H 8.457 0.559 5.880 1.00 . A A . 58 GLY HA3 1 1
1 829 1 1 58 GLY N N 9.654 0.295 7.565 1.00 . A A . 58 GLY N 1 1
1 830 1 1 58 GLY O O 11.353 -0.011 5.397 1.00 . A A . 58 GLY O 1 1
1 831 1 1 59 PRO C C 11.044 -0.293 2.241 1.00 . A A . 59 PRO C 1 1
1 832 1 1 59 PRO CA C 10.835 -1.537 3.123 1.00 . A A . 59 PRO CA 1 1
1 833 1 1 59 PRO CB C 10.205 -2.726 2.394 1.00 . A A . 59 PRO CB 1 1
1 834 1 1 59 PRO CD C 8.627 -1.908 3.976 1.00 . A A . 59 PRO CD 1 1
1 835 1 1 59 PRO CG C 8.707 -2.477 2.559 1.00 . A A . 59 PRO CG 1 1
1 836 1 1 59 PRO HA H 11.804 -1.847 3.520 1.00 . A A . 59 PRO HA 1 1
1 837 1 1 59 PRO HB2 H 10.504 -2.805 1.353 1.00 . A A . 59 PRO HB2 1 1
1 838 1 1 59 PRO HB3 H 10.468 -3.648 2.916 1.00 . A A . 59 PRO HB3 1 1
1 839 1 1 59 PRO HD2 H 7.776 -1.232 4.068 1.00 . A A . 59 PRO HD2 1 1
1 840 1 1 59 PRO HD3 H 8.524 -2.733 4.684 1.00 . A A . 59 PRO HD3 1 1
1 841 1 1 59 PRO HG2 H 8.382 -1.730 1.833 1.00 . A A . 59 PRO HG2 1 1
1 842 1 1 59 PRO HG3 H 8.124 -3.392 2.440 1.00 . A A . 59 PRO HG3 1 1
1 843 1 1 59 PRO N N 9.902 -1.240 4.200 1.00 . A A . 59 PRO N 1 1
1 844 1 1 59 PRO O O 10.555 -0.203 1.115 1.00 . A A . 59 PRO O 1 1
1 845 1 1 60 THR C C 13.001 1.898 0.979 1.00 . A A . 60 THR C 1 1
1 846 1 1 60 THR CA C 12.044 2.000 2.176 1.00 . A A . 60 THR CA 1 1
1 847 1 1 60 THR CB C 12.572 2.928 3.287 1.00 . A A . 60 THR CB 1 1
1 848 1 1 60 THR CG2 C 12.763 4.388 2.866 1.00 . A A . 60 THR CG2 1 1
1 849 1 1 60 THR H H 12.030 0.577 3.752 1.00 . A A . 60 THR H 1 1
1 850 1 1 60 THR HA H 11.101 2.416 1.818 1.00 . A A . 60 THR HA 1 1
1 851 1 1 60 THR HB H 13.518 2.531 3.665 1.00 . A A . 60 THR HB 1 1
1 852 1 1 60 THR HG1 H 12.055 3.114 5.164 1.00 . A A . 60 THR HG1 1 1
1 853 1 1 60 THR HG21 H 11.835 4.777 2.450 1.00 . A A . 60 THR HG21 1 1
1 854 1 1 60 THR HG22 H 13.031 4.976 3.745 1.00 . A A . 60 THR HG22 1 1
1 855 1 1 60 THR HG23 H 13.564 4.490 2.135 1.00 . A A . 60 THR HG23 1 1
1 856 1 1 60 THR N N 11.775 0.690 2.774 1.00 . A A . 60 THR N 1 1
1 857 1 1 60 THR O O 14.125 2.393 1.016 1.00 . A A . 60 THR O 1 1
1 858 1 1 60 THR OG1 O 11.615 2.939 4.327 1.00 . A A . 60 THR OG1 1 1
1 859 1 1 61 LYS C C 12.422 0.539 -2.430 1.00 . A A . 61 LYS C 1 1
1 860 1 1 61 LYS CA C 13.352 0.957 -1.285 1.00 . A A . 61 LYS CA 1 1
1 861 1 1 61 LYS CB C 14.336 -0.170 -0.932 1.00 . A A . 61 LYS CB 1 1
1 862 1 1 61 LYS CD C 16.497 -1.329 -1.295 1.00 . A A . 61 LYS CD 1 1
1 863 1 1 61 LYS CE C 17.759 -1.480 -2.152 1.00 . A A . 61 LYS CE 1 1
1 864 1 1 61 LYS CG C 15.516 -0.313 -1.900 1.00 . A A . 61 LYS CG 1 1
1 865 1 1 61 LYS H H 11.649 0.785 -0.019 1.00 . A A . 61 LYS H 1 1
1 866 1 1 61 LYS HA H 13.900 1.857 -1.570 1.00 . A A . 61 LYS HA 1 1
1 867 1 1 61 LYS HB2 H 14.752 0.034 0.054 1.00 . A A . 61 LYS HB2 1 1
1 868 1 1 61 LYS HB3 H 13.789 -1.112 -0.882 1.00 . A A . 61 LYS HB3 1 1
1 869 1 1 61 LYS HD2 H 16.778 -0.983 -0.296 1.00 . A A . 61 LYS HD2 1 1
1 870 1 1 61 LYS HD3 H 15.989 -2.292 -1.196 1.00 . A A . 61 LYS HD3 1 1
1 871 1 1 61 LYS HE2 H 17.481 -1.868 -3.136 1.00 . A A . 61 LYS HE2 1 1
1 872 1 1 61 LYS HE3 H 18.218 -0.497 -2.289 1.00 . A A . 61 LYS HE3 1 1
1 873 1 1 61 LYS HG2 H 15.167 -0.654 -2.876 1.00 . A A . 61 LYS HG2 1 1
1 874 1 1 61 LYS HG3 H 16.009 0.656 -2.009 1.00 . A A . 61 LYS HG3 1 1
1 875 1 1 61 LYS HZ1 H 18.328 -3.307 -1.381 1.00 . A A . 61 LYS HZ1 1 1
1 876 1 1 61 LYS HZ2 H 19.006 -2.028 -0.606 1.00 . A A . 61 LYS HZ2 1 1
1 877 1 1 61 LYS HZ3 H 19.563 -2.480 -2.084 1.00 . A A . 61 LYS HZ3 1 1
1 878 1 1 61 LYS N N 12.554 1.245 -0.097 1.00 . A A . 61 LYS N 1 1
1 879 1 1 61 LYS NZ N 18.734 -2.390 -1.511 1.00 . A A . 61 LYS NZ 1 1
1 880 1 1 61 LYS O O 11.398 -0.094 -2.184 1.00 . A A . 61 LYS O 1 1
1 881 1 1 62 CYS C C 11.600 -0.977 -4.881 1.00 . A A . 62 CYS C 1 1
1 882 1 1 62 CYS CA C 11.925 0.522 -4.844 1.00 . A A . 62 CYS CA 1 1
1 883 1 1 62 CYS CB C 12.588 0.967 -6.127 1.00 . A A . 62 CYS CB 1 1
1 884 1 1 62 CYS H H 13.600 1.400 -3.831 1.00 . A A . 62 CYS H 1 1
1 885 1 1 62 CYS HA H 10.976 1.044 -4.746 1.00 . A A . 62 CYS HA 1 1
1 886 1 1 62 CYS HB2 H 13.417 0.299 -6.359 1.00 . A A . 62 CYS HB2 1 1
1 887 1 1 62 CYS HB3 H 11.869 0.910 -6.945 1.00 . A A . 62 CYS HB3 1 1
1 888 1 1 62 CYS N N 12.762 0.857 -3.682 1.00 . A A . 62 CYS N 1 1
1 889 1 1 62 CYS O O 10.439 -1.384 -4.802 1.00 . A A . 62 CYS O 1 1
1 890 1 1 62 CYS SG S 13.283 2.648 -6.034 1.00 . A A . 62 CYS SG 1 1
1 891 1 1 63 GLY C C 11.962 -3.751 -3.477 1.00 . A A . 63 GLY C 1 1
1 892 1 1 63 GLY CA C 12.573 -3.251 -4.795 1.00 . A A . 63 GLY CA 1 1
1 893 1 1 63 GLY H H 13.569 -1.379 -4.975 1.00 . A A . 63 GLY H 1 1
1 894 1 1 63 GLY HA2 H 11.978 -3.618 -5.625 1.00 . A A . 63 GLY HA2 1 1
1 895 1 1 63 GLY HA3 H 13.576 -3.667 -4.883 1.00 . A A . 63 GLY HA3 1 1
1 896 1 1 63 GLY N N 12.655 -1.797 -4.903 1.00 . A A . 63 GLY N 1 1
1 897 1 1 63 GLY O O 11.635 -4.926 -3.351 1.00 . A A . 63 GLY O 1 1
1 898 1 1 64 GLY C C 9.579 -3.283 -1.469 1.00 . A A . 64 GLY C 1 1
1 899 1 1 64 GLY CA C 11.090 -3.141 -1.252 1.00 . A A . 64 GLY CA 1 1
1 900 1 1 64 GLY H H 12.025 -1.894 -2.647 1.00 . A A . 64 GLY H 1 1
1 901 1 1 64 GLY HA2 H 11.480 -4.045 -0.782 1.00 . A A . 64 GLY HA2 1 1
1 902 1 1 64 GLY HA3 H 11.266 -2.292 -0.596 1.00 . A A . 64 GLY HA3 1 1
1 903 1 1 64 GLY N N 11.804 -2.865 -2.488 1.00 . A A . 64 GLY N 1 1
1 904 1 1 64 GLY O O 8.910 -3.962 -0.694 1.00 . A A . 64 GLY O 1 1
1 905 1 1 65 CYS C C 7.578 -3.656 -4.242 1.00 . A A . 65 CYS C 1 1
1 906 1 1 65 CYS CA C 7.657 -2.829 -2.954 1.00 . A A . 65 CYS CA 1 1
1 907 1 1 65 CYS CB C 7.007 -1.487 -3.152 1.00 . A A . 65 CYS CB 1 1
1 908 1 1 65 CYS H H 9.660 -2.092 -3.110 1.00 . A A . 65 CYS H 1 1
1 909 1 1 65 CYS HA H 7.074 -3.370 -2.208 1.00 . A A . 65 CYS HA 1 1
1 910 1 1 65 CYS HB2 H 7.663 -0.848 -3.744 1.00 . A A . 65 CYS HB2 1 1
1 911 1 1 65 CYS HB3 H 6.076 -1.621 -3.700 1.00 . A A . 65 CYS HB3 1 1
1 912 1 1 65 CYS N N 9.046 -2.653 -2.524 1.00 . A A . 65 CYS N 1 1
1 913 1 1 65 CYS O O 6.800 -4.598 -4.332 1.00 . A A . 65 CYS O 1 1
1 914 1 1 65 CYS SG S 6.603 -0.686 -1.567 1.00 . A A . 65 CYS SG 1 1
1 915 1 1 66 HIS C C 9.128 -5.162 -6.708 1.00 . A A . 66 HIS C 1 1
1 916 1 1 66 HIS CA C 8.297 -3.870 -6.585 1.00 . A A . 66 HIS CA 1 1
1 917 1 1 66 HIS CB C 8.816 -2.799 -7.547 1.00 . A A . 66 HIS CB 1 1
1 918 1 1 66 HIS CD2 C 8.063 -0.377 -7.069 1.00 . A A . 66 HIS CD2 1 1
1 919 1 1 66 HIS CE1 C 6.357 -0.298 -8.435 1.00 . A A . 66 HIS CE1 1 1
1 920 1 1 66 HIS CG C 7.926 -1.603 -7.659 1.00 . A A . 66 HIS CG 1 1
1 921 1 1 66 HIS H H 9.018 -2.528 -5.103 1.00 . A A . 66 HIS H 1 1
1 922 1 1 66 HIS HA H 7.265 -4.101 -6.865 1.00 . A A . 66 HIS HA 1 1
1 923 1 1 66 HIS HB2 H 9.827 -2.505 -7.290 1.00 . A A . 66 HIS HB2 1 1
1 924 1 1 66 HIS HB3 H 8.871 -3.240 -8.535 1.00 . A A . 66 HIS HB3 1 1
1 925 1 1 66 HIS HD1 H 6.553 -2.282 -9.114 1.00 . A A . 66 HIS HD1 1 1
1 926 1 1 66 HIS HD2 H 8.833 -0.088 -6.375 1.00 . A A . 66 HIS HD2 1 1
1 927 1 1 66 HIS HE1 H 5.531 0.038 -9.039 1.00 . A A . 66 HIS HE1 1 1
1 928 1 1 66 HIS N N 8.363 -3.287 -5.253 1.00 . A A . 66 HIS N 1 1
1 929 1 1 66 HIS ND1 N 6.859 -1.536 -8.500 1.00 . A A . 66 HIS ND1 1 1
1 930 1 1 66 HIS NE2 N 7.053 0.464 -7.576 1.00 . A A . 66 HIS NE2 1 1
1 931 1 1 66 HIS O O 10.339 -5.130 -6.497 1.00 . A A . 66 HIS O 1 1
1 932 1 1 67 ILE C C 10.305 -7.166 -8.604 1.00 . A A . 67 ILE C 1 1
1 933 1 1 67 ILE CA C 9.298 -7.477 -7.484 1.00 . A A . 67 ILE CA 1 1
1 934 1 1 67 ILE CB C 8.371 -8.631 -7.910 1.00 . A A . 67 ILE CB 1 1
1 935 1 1 67 ILE CD1 C 7.798 -9.321 -5.479 1.00 . A A . 67 ILE CD1 1 1
1 936 1 1 67 ILE CG1 C 7.283 -8.954 -6.875 1.00 . A A . 67 ILE CG1 1 1
1 937 1 1 67 ILE CG2 C 9.184 -9.895 -8.229 1.00 . A A . 67 ILE CG2 1 1
1 938 1 1 67 ILE H H 7.518 -6.271 -7.279 1.00 . A A . 67 ILE H 1 1
1 939 1 1 67 ILE HA H 9.857 -7.790 -6.601 1.00 . A A . 67 ILE HA 1 1
1 940 1 1 67 ILE HB H 7.856 -8.333 -8.825 1.00 . A A . 67 ILE HB 1 1
1 941 1 1 67 ILE HD11 H 8.451 -10.192 -5.527 1.00 . A A . 67 ILE HD11 1 1
1 942 1 1 67 ILE HD12 H 8.334 -8.483 -5.035 1.00 . A A . 67 ILE HD12 1 1
1 943 1 1 67 ILE HD13 H 6.946 -9.560 -4.842 1.00 . A A . 67 ILE HD13 1 1
1 944 1 1 67 ILE HG12 H 6.622 -8.097 -6.788 1.00 . A A . 67 ILE HG12 1 1
1 945 1 1 67 ILE HG13 H 6.690 -9.786 -7.255 1.00 . A A . 67 ILE HG13 1 1
1 946 1 1 67 ILE HG21 H 9.825 -10.162 -7.389 1.00 . A A . 67 ILE HG21 1 1
1 947 1 1 67 ILE HG22 H 8.510 -10.725 -8.440 1.00 . A A . 67 ILE HG22 1 1
1 948 1 1 67 ILE HG23 H 9.808 -9.736 -9.109 1.00 . A A . 67 ILE HG23 1 1
1 949 1 1 67 ILE N N 8.525 -6.278 -7.135 1.00 . A A . 67 ILE N 1 1
1 950 1 1 67 ILE O O 9.919 -6.682 -9.666 1.00 . A A . 67 ILE O 1 1
1 951 1 1 68 LYS C C 13.837 -8.174 -9.057 1.00 . A A . 68 LYS C 1 1
1 952 1 1 68 LYS CA C 12.661 -7.241 -9.346 1.00 . A A . 68 LYS CA 1 1
1 953 1 1 68 LYS CB C 13.119 -5.774 -9.350 1.00 . A A . 68 LYS CB 1 1
1 954 1 1 68 LYS CD C 15.095 -4.852 -7.947 1.00 . A A . 68 LYS CD 1 1
1 955 1 1 68 LYS CE C 16.137 -5.984 -7.893 1.00 . A A . 68 LYS CE 1 1
1 956 1 1 68 LYS CG C 13.632 -5.335 -7.973 1.00 . A A . 68 LYS CG 1 1
1 957 1 1 68 LYS H H 11.875 -7.890 -7.514 1.00 . A A . 68 LYS H 1 1
1 958 1 1 68 LYS HA H 12.298 -7.469 -10.341 1.00 . A A . 68 LYS HA 1 1
1 959 1 1 68 LYS HB2 H 13.888 -5.635 -10.109 1.00 . A A . 68 LYS HB2 1 1
1 960 1 1 68 LYS HB3 H 12.267 -5.149 -9.625 1.00 . A A . 68 LYS HB3 1 1
1 961 1 1 68 LYS HD2 H 15.286 -4.169 -8.777 1.00 . A A . 68 LYS HD2 1 1
1 962 1 1 68 LYS HD3 H 15.209 -4.280 -7.024 1.00 . A A . 68 LYS HD3 1 1
1 963 1 1 68 LYS HE2 H 17.062 -5.585 -7.470 1.00 . A A . 68 LYS HE2 1 1
1 964 1 1 68 LYS HE3 H 15.780 -6.776 -7.227 1.00 . A A . 68 LYS HE3 1 1
1 965 1 1 68 LYS HG2 H 12.984 -4.517 -7.658 1.00 . A A . 68 LYS HG2 1 1
1 966 1 1 68 LYS HG3 H 13.488 -6.144 -7.257 1.00 . A A . 68 LYS HG3 1 1
1 967 1 1 68 LYS HZ1 H 17.104 -7.320 -9.130 1.00 . A A . 68 LYS HZ1 1 1
1 968 1 1 68 LYS HZ2 H 15.620 -6.987 -9.625 1.00 . A A . 68 LYS HZ2 1 1
1 969 1 1 68 LYS HZ3 H 16.801 -5.868 -9.864 1.00 . A A . 68 LYS HZ3 1 1
1 970 1 1 68 LYS N N 11.590 -7.449 -8.379 1.00 . A A . 68 LYS N 1 1
1 971 1 1 68 LYS NZ N 16.449 -6.558 -9.220 1.00 . A A . 68 LYS NZ 1 1
1 972 1 1 68 LYS O O 13.957 -8.621 -7.897 1.00 . A A . 68 LYS O 1 1
1 973 1 1 68 LYS OXT O 14.692 -8.298 -9.964 1.00 . A A . 68 LYS OXT 1 1
1 974 2 2 1 HEC C1A C -11.188 -1.291 -1.037 1.00 . B A . 130 HEC C1A 1 1
1 975 2 2 1 HEC C1B C -11.447 -2.857 2.802 1.00 . B A . 130 HEC C1B 1 1
1 976 2 2 1 HEC C1C C -7.406 -2.287 3.278 1.00 . B A . 130 HEC C1C 1 1
1 977 2 2 1 HEC C1D C -7.289 -0.271 -0.295 1.00 . B A . 130 HEC C1D 1 1
1 978 2 2 1 HEC C2A C -12.552 -1.580 -1.423 1.00 . B A . 130 HEC C2A 1 1
1 979 2 2 1 HEC C2B C -11.707 -3.542 4.047 1.00 . B A . 130 HEC C2B 1 1
1 980 2 2 1 HEC C2C C -6.007 -2.131 3.603 1.00 . B A . 130 HEC C2C 1 1
1 981 2 2 1 HEC C2D C -6.930 0.217 -1.599 1.00 . B A . 130 HEC C2D 1 1
1 982 2 2 1 HEC C3A C -13.197 -1.895 -0.263 1.00 . B A . 130 HEC C3A 1 1
1 983 2 2 1 HEC C3B C -10.486 -3.722 4.640 1.00 . B A . 130 HEC C3B 1 1
1 984 2 2 1 HEC C3C C -5.544 -1.190 2.732 1.00 . B A . 130 HEC C3C 1 1
1 985 2 2 1 HEC C3D C -8.048 0.075 -2.364 1.00 . B A . 130 HEC C3D 1 1
1 986 2 2 1 HEC C4A C -12.163 -2.068 0.727 1.00 . B A . 130 HEC C4A 1 1
1 987 2 2 1 HEC C4B C -9.532 -3.094 3.750 1.00 . B A . 130 HEC C4B 1 1
1 988 2 2 1 HEC C4C C -6.595 -1.015 1.764 1.00 . B A . 130 HEC C4C 1 1
1 989 2 2 1 HEC C4D C -9.045 -0.510 -1.494 1.00 . B A . 130 HEC C4D 1 1
1 990 2 2 1 HEC CAA C -13.126 -1.694 -2.827 1.00 . B A . 130 HEC CAA 1 1
1 991 2 2 1 HEC CAB C -10.186 -4.490 5.922 1.00 . B A . 130 HEC CAB 1 1
1 992 2 2 1 HEC CAC C -4.299 -0.337 2.884 1.00 . B A . 130 HEC CAC 1 1
1 993 2 2 1 HEC CAD C -8.144 0.326 -3.854 1.00 . B A . 130 HEC CAD 1 1
1 994 2 2 1 HEC CBA C -13.705 -3.086 -3.160 1.00 . B A . 130 HEC CBA 1 1
1 995 2 2 1 HEC CBB C -10.407 -5.999 5.770 1.00 . B A . 130 HEC CBB 1 1
1 996 2 2 1 HEC CBC C -2.996 -1.066 2.559 1.00 . B A . 130 HEC CBC 1 1
1 997 2 2 1 HEC CBD C -8.081 -0.986 -4.655 1.00 . B A . 130 HEC CBD 1 1
1 998 2 2 1 HEC CGA C -12.772 -4.306 -2.972 1.00 . B A . 130 HEC CGA 1 1
1 999 2 2 1 HEC CGD C -8.449 -0.825 -6.139 1.00 . B A . 130 HEC CGD 1 1
1 1000 2 2 1 HEC CHA C -10.280 -0.798 -1.895 1.00 . B A . 130 HEC CHA 1 1
1 1001 2 2 1 HEC CHB C -12.423 -2.580 1.934 1.00 . B A . 130 HEC CHB 1 1
1 1002 2 2 1 HEC CHC C -8.226 -3.015 4.023 1.00 . B A . 130 HEC CHC 1 1
1 1003 2 2 1 HEC CHD C -6.400 -0.302 0.671 1.00 . B A . 130 HEC CHD 1 1
1 1004 2 2 1 HEC CMA C -14.691 -2.069 -0.071 1.00 . B A . 130 HEC CMA 1 1
1 1005 2 2 1 HEC CMB C -13.063 -3.990 4.564 1.00 . B A . 130 HEC CMB 1 1
1 1006 2 2 1 HEC CMC C -5.185 -2.895 4.627 1.00 . B A . 130 HEC CMC 1 1
1 1007 2 2 1 HEC CMD C -5.542 0.600 -2.072 1.00 . B A . 130 HEC CMD 1 1
1 1008 2 2 1 HEC FE FE -9.378 -1.674 1.215 1.00 . B A . 130 HEC FE 1 1
1 1009 2 2 1 HEC HAA1 H -12.362 -1.505 -3.578 1.00 . B A . 130 HEC HAA1 1 1
1 1010 2 2 1 HEC HAA2 H -13.912 -0.949 -2.951 1.00 . B A . 130 HEC HAA2 1 1
1 1011 2 2 1 HEC HAB H -9.152 -4.355 6.203 1.00 . B A . 130 HEC HAB 1 1
1 1012 2 2 1 HEC HAC H -4.327 0.517 2.211 1.00 . B A . 130 HEC HAC 1 1
1 1013 2 2 1 HEC HAD1 H -7.346 0.991 -4.183 1.00 . B A . 130 HEC HAD1 1 1
1 1014 2 2 1 HEC HAD2 H -9.069 0.836 -4.095 1.00 . B A . 130 HEC HAD2 1 1
1 1015 2 2 1 HEC HBA1 H -14.024 -3.059 -4.203 1.00 . B A . 130 HEC HBA1 1 1
1 1016 2 2 1 HEC HBA2 H -14.597 -3.245 -2.552 1.00 . B A . 130 HEC HBA2 1 1
1 1017 2 2 1 HEC HBB1 H -11.440 -6.214 5.498 1.00 . B A . 130 HEC HBB1 1 1
1 1018 2 2 1 HEC HBB2 H -9.749 -6.395 4.995 1.00 . B A . 130 HEC HBB2 1 1
1 1019 2 2 1 HEC HBB3 H -10.188 -6.504 6.712 1.00 . B A . 130 HEC HBB3 1 1
1 1020 2 2 1 HEC HBC1 H -2.918 -2.019 3.080 1.00 . B A . 130 HEC HBC1 1 1
1 1021 2 2 1 HEC HBC2 H -2.965 -1.244 1.478 1.00 . B A . 130 HEC HBC2 1 1
1 1022 2 2 1 HEC HBC3 H -2.156 -0.438 2.841 1.00 . B A . 130 HEC HBC3 1 1
1 1023 2 2 1 HEC HBD1 H -8.773 -1.703 -4.212 1.00 . B A . 130 HEC HBD1 1 1
1 1024 2 2 1 HEC HBD2 H -7.072 -1.393 -4.557 1.00 . B A . 130 HEC HBD2 1 1
1 1025 2 2 1 HEC HHA H -10.543 -0.606 -2.915 1.00 . B A . 130 HEC HHA 1 1
1 1026 2 2 1 HEC HHB H -13.426 -2.877 2.168 1.00 . B A . 130 HEC HHB 1 1
1 1027 2 2 1 HEC HHC H -7.823 -3.468 4.897 1.00 . B A . 130 HEC HHC 1 1
1 1028 2 2 1 HEC HHD H -5.442 0.133 0.497 1.00 . B A . 130 HEC HHD 1 1
1 1029 2 2 1 HEC HMA1 H -15.227 -1.665 -0.929 1.00 . B A . 130 HEC HMA1 1 1
1 1030 2 2 1 HEC HMA2 H -14.931 -3.128 0.032 1.00 . B A . 130 HEC HMA2 1 1
1 1031 2 2 1 HEC HMA3 H -15.019 -1.526 0.818 1.00 . B A . 130 HEC HMA3 1 1
1 1032 2 2 1 HEC HMB1 H -13.526 -4.676 3.855 1.00 . B A . 130 HEC HMB1 1 1
1 1033 2 2 1 HEC HMB2 H -12.973 -4.499 5.521 1.00 . B A . 130 HEC HMB2 1 1
1 1034 2 2 1 HEC HMB3 H -13.703 -3.120 4.706 1.00 . B A . 130 HEC HMB3 1 1
1 1035 2 2 1 HEC HMC1 H -5.712 -2.988 5.574 1.00 . B A . 130 HEC HMC1 1 1
1 1036 2 2 1 HEC HMC2 H -4.945 -3.883 4.220 1.00 . B A . 130 HEC HMC2 1 1
1 1037 2 2 1 HEC HMC3 H -4.253 -2.369 4.823 1.00 . B A . 130 HEC HMC3 1 1
1 1038 2 2 1 HEC HMD1 H -5.464 0.391 -3.136 1.00 . B A . 130 HEC HMD1 1 1
1 1039 2 2 1 HEC HMD2 H -5.379 1.661 -1.889 1.00 . B A . 130 HEC HMD2 1 1
1 1040 2 2 1 HEC HMD3 H -4.767 0.016 -1.565 1.00 . B A . 130 HEC HMD3 1 1
1 1041 2 2 1 HEC NA N -11.000 -1.647 0.249 1.00 . B A . 130 HEC NA 1 1
1 1042 2 2 1 HEC NB N -10.156 -2.600 2.677 1.00 . B A . 130 HEC NB 1 1
1 1043 2 2 1 HEC NC N -7.689 -1.664 2.138 1.00 . B A . 130 HEC NC 1 1
1 1044 2 2 1 HEC ND N -8.530 -0.723 -0.285 1.00 . B A . 130 HEC ND 1 1
1 1045 2 2 1 HEC O1A O -13.250 -5.446 -3.178 1.00 . B A . 130 HEC O1A 1 1
1 1046 2 2 1 HEC O1D O -9.553 -0.294 -6.403 1.00 . B A . 130 HEC O1D 1 1
1 1047 2 2 1 HEC O2A O -11.581 -4.165 -2.604 1.00 . B A . 130 HEC O2A 1 1
1 1048 2 2 1 HEC O2D O -7.619 -1.242 -6.980 1.00 . B A . 130 HEC O2D 1 1
1 1049 3 2 1 HEC C1A C 4.504 -4.270 3.277 1.00 . C A . 153 HEC C1A 1 1
1 1050 3 2 1 HEC C1B C 2.255 -2.074 0.596 1.00 . C A . 153 HEC C1B 1 1
1 1051 3 2 1 HEC C1C C 0.644 0.108 3.755 1.00 . C A . 153 HEC C1C 1 1
1 1052 3 2 1 HEC C1D C 2.808 -2.160 6.419 1.00 . C A . 153 HEC C1D 1 1
1 1053 3 2 1 HEC C2A C 5.215 -5.079 2.314 1.00 . C A . 153 HEC C2A 1 1
1 1054 3 2 1 HEC C2B C 1.607 -1.336 -0.467 1.00 . C A . 153 HEC C2B 1 1
1 1055 3 2 1 HEC C2C C -0.021 0.980 4.703 1.00 . C A . 153 HEC C2C 1 1
1 1056 3 2 1 HEC C2D C 3.365 -2.932 7.502 1.00 . C A . 153 HEC C2D 1 1
1 1057 3 2 1 HEC C3A C 4.679 -4.777 1.097 1.00 . C A . 153 HEC C3A 1 1
1 1058 3 2 1 HEC C3B C 0.770 -0.447 0.146 1.00 . C A . 153 HEC C3B 1 1
1 1059 3 2 1 HEC C3C C 0.441 0.597 5.933 1.00 . C A . 153 HEC C3C 1 1
1 1060 3 2 1 HEC C3D C 4.123 -3.908 6.920 1.00 . C A . 153 HEC C3D 1 1
1 1061 3 2 1 HEC C4A C 3.764 -3.687 1.334 1.00 . C A . 153 HEC C4A 1 1
1 1062 3 2 1 HEC C4B C 1.033 -0.590 1.560 1.00 . C A . 153 HEC C4B 1 1
1 1063 3 2 1 HEC C4C C 1.368 -0.485 5.675 1.00 . C A . 153 HEC C4C 1 1
1 1064 3 2 1 HEC C4D C 4.037 -3.669 5.492 1.00 . C A . 153 HEC C4D 1 1
1 1065 3 2 1 HEC CAA C 6.364 -6.030 2.585 1.00 . C A . 153 HEC CAA 1 1
1 1066 3 2 1 HEC CAB C -0.245 0.497 -0.503 1.00 . C A . 153 HEC CAB 1 1
1 1067 3 2 1 HEC CAC C 0.115 1.193 7.301 1.00 . C A . 153 HEC CAC 1 1
1 1068 3 2 1 HEC CAD C 4.650 -5.146 7.631 1.00 . C A . 153 HEC CAD 1 1
1 1069 3 2 1 HEC CBA C 5.929 -7.411 3.103 1.00 . C A . 153 HEC CBA 1 1
1 1070 3 2 1 HEC CBB C -0.972 -0.070 -1.732 1.00 . C A . 153 HEC CBB 1 1
1 1071 3 2 1 HEC CBC C -1.193 1.980 7.469 1.00 . C A . 153 HEC CBC 1 1
1 1072 3 2 1 HEC CBD C 5.604 -4.885 8.832 1.00 . C A . 153 HEC CBD 1 1
1 1073 3 2 1 HEC CGA C 7.103 -8.202 3.704 1.00 . C A . 153 HEC CGA 1 1
1 1074 3 2 1 HEC CGD C 5.838 -6.085 9.804 1.00 . C A . 153 HEC CGD 1 1
1 1075 3 2 1 HEC CHA C 4.688 -4.413 4.592 1.00 . C A . 153 HEC CHA 1 1
1 1076 3 2 1 HEC CHB C 3.109 -3.073 0.350 1.00 . C A . 153 HEC CHB 1 1
1 1077 3 2 1 HEC CHC C 0.425 0.189 2.450 1.00 . C A . 153 HEC CHC 1 1
1 1078 3 2 1 HEC CHD C 2.003 -1.123 6.652 1.00 . C A . 153 HEC CHD 1 1
1 1079 3 2 1 HEC CMA C 4.968 -5.482 -0.215 1.00 . C A . 153 HEC CMA 1 1
1 1080 3 2 1 HEC CMB C 1.887 -1.432 -1.951 1.00 . C A . 153 HEC CMB 1 1
1 1081 3 2 1 HEC CMC C -1.012 2.100 4.413 1.00 . C A . 153 HEC CMC 1 1
1 1082 3 2 1 HEC CMD C 3.086 -2.767 8.987 1.00 . C A . 153 HEC CMD 1 1
1 1083 3 2 1 HEC FE FE 2.569 -2.090 3.493 1.00 . C A . 153 HEC FE 1 1
1 1084 3 2 1 HEC HAA1 H 7.023 -5.579 3.329 1.00 . C A . 153 HEC HAA1 1 1
1 1085 3 2 1 HEC HAA2 H 6.958 -6.171 1.681 1.00 . C A . 153 HEC HAA2 1 1
1 1086 3 2 1 HEC HAB H -1.057 0.679 0.198 1.00 . C A . 153 HEC HAB 1 1
1 1087 3 2 1 HEC HAC H 0.021 0.366 8.004 1.00 . C A . 153 HEC HAC 1 1
1 1088 3 2 1 HEC HAD1 H 5.157 -5.831 6.955 1.00 . C A . 153 HEC HAD1 1 1
1 1089 3 2 1 HEC HAD2 H 3.757 -5.667 7.978 1.00 . C A . 153 HEC HAD2 1 1
1 1090 3 2 1 HEC HBA1 H 5.470 -7.962 2.280 1.00 . C A . 153 HEC HBA1 1 1
1 1091 3 2 1 HEC HBA2 H 5.172 -7.277 3.878 1.00 . C A . 153 HEC HBA2 1 1
1 1092 3 2 1 HEC HBB1 H -1.317 -1.087 -1.539 1.00 . C A . 153 HEC HBB1 1 1
1 1093 3 2 1 HEC HBB2 H -1.837 0.552 -1.965 1.00 . C A . 153 HEC HBB2 1 1
1 1094 3 2 1 HEC HBB3 H -0.331 -0.069 -2.610 1.00 . C A . 153 HEC HBB3 1 1
1 1095 3 2 1 HEC HBC1 H -1.328 2.215 8.526 1.00 . C A . 153 HEC HBC1 1 1
1 1096 3 2 1 HEC HBC2 H -1.184 2.922 6.928 1.00 . C A . 153 HEC HBC2 1 1
1 1097 3 2 1 HEC HBC3 H -2.044 1.380 7.145 1.00 . C A . 153 HEC HBC3 1 1
1 1098 3 2 1 HEC HBD1 H 5.392 -3.940 9.345 1.00 . C A . 153 HEC HBD1 1 1
1 1099 3 2 1 HEC HBD2 H 6.575 -4.707 8.366 1.00 . C A . 153 HEC HBD2 1 1
1 1100 3 2 1 HEC HHA H 5.362 -5.181 4.922 1.00 . C A . 153 HEC HHA 1 1
1 1101 3 2 1 HEC HHB H 3.254 -3.420 -0.657 1.00 . C A . 153 HEC HHB 1 1
1 1102 3 2 1 HEC HHC H -0.243 0.929 2.081 1.00 . C A . 153 HEC HHC 1 1
1 1103 3 2 1 HEC HHD H 1.846 -0.802 7.663 1.00 . C A . 153 HEC HHD 1 1
1 1104 3 2 1 HEC HMA1 H 5.676 -4.903 -0.808 1.00 . C A . 153 HEC HMA1 1 1
1 1105 3 2 1 HEC HMA2 H 5.390 -6.468 -0.021 1.00 . C A . 153 HEC HMA2 1 1
1 1106 3 2 1 HEC HMA3 H 4.046 -5.627 -0.783 1.00 . C A . 153 HEC HMA3 1 1
1 1107 3 2 1 HEC HMB1 H 1.157 -2.095 -2.413 1.00 . C A . 153 HEC HMB1 1 1
1 1108 3 2 1 HEC HMB2 H 1.829 -0.439 -2.394 1.00 . C A . 153 HEC HMB2 1 1
1 1109 3 2 1 HEC HMB3 H 2.891 -1.812 -2.133 1.00 . C A . 153 HEC HMB3 1 1
1 1110 3 2 1 HEC HMC1 H -0.589 3.052 4.729 1.00 . C A . 153 HEC HMC1 1 1
1 1111 3 2 1 HEC HMC2 H -1.289 2.189 3.368 1.00 . C A . 153 HEC HMC2 1 1
1 1112 3 2 1 HEC HMC3 H -1.937 1.918 4.956 1.00 . C A . 153 HEC HMC3 1 1
1 1113 3 2 1 HEC HMD1 H 3.775 -2.036 9.414 1.00 . C A . 153 HEC HMD1 1 1
1 1114 3 2 1 HEC HMD2 H 2.062 -2.446 9.164 1.00 . C A . 153 HEC HMD2 1 1
1 1115 3 2 1 HEC HMD3 H 3.215 -3.720 9.502 1.00 . C A . 153 HEC HMD3 1 1
1 1116 3 2 1 HEC NA N 3.694 -3.413 2.644 1.00 . C A . 153 HEC NA 1 1
1 1117 3 2 1 HEC NB N 1.918 -1.558 1.783 1.00 . C A . 153 HEC NB 1 1
1 1118 3 2 1 HEC NC N 1.449 -0.737 4.372 1.00 . C A . 153 HEC NC 1 1
1 1119 3 2 1 HEC ND N 3.195 -2.658 5.247 1.00 . C A . 153 HEC ND 1 1
1 1120 3 2 1 HEC O1A O 7.629 -7.726 4.737 1.00 . C A . 153 HEC O1A 1 1
1 1121 3 2 1 HEC O1D O 5.655 -6.992 10.650 1.00 . C A . 153 HEC O1D 1 1
1 1122 3 2 1 HEC O2A O 7.467 -9.249 3.123 1.00 . C A . 153 HEC O2A 1 1
1 1123 3 2 1 HEC O2D O 4.642 -5.842 10.105 1.00 . C A . 153 HEC O2D 1 1
1 1124 4 2 1 HEC C1A C 5.596 2.547 -10.015 1.00 . D A . 166 HEC C1A 1 1
1 1125 4 2 1 HEC C1B C 9.332 3.041 -8.309 1.00 . D A . 166 HEC C1B 1 1
1 1126 4 2 1 HEC C1C C 7.743 2.350 -4.596 1.00 . D A . 166 HEC C1C 1 1
1 1127 4 2 1 HEC C1D C 4.082 1.533 -6.304 1.00 . D A . 166 HEC C1D 1 1
1 1128 4 2 1 HEC C2A C 6.007 2.752 -11.392 1.00 . D A . 166 HEC C2A 1 1
1 1129 4 2 1 HEC C2B C 10.669 3.401 -7.901 1.00 . D A . 166 HEC C2B 1 1
1 1130 4 2 1 HEC C2C C 7.431 1.964 -3.242 1.00 . D A . 166 HEC C2C 1 1
1 1131 4 2 1 HEC C2D C 2.703 1.334 -6.675 1.00 . D A . 166 HEC C2D 1 1
1 1132 4 2 1 HEC C3A C 7.354 2.955 -11.356 1.00 . D A . 166 HEC C3A 1 1
1 1133 4 2 1 HEC C3B C 10.656 3.396 -6.534 1.00 . D A . 166 HEC C3B 1 1
1 1134 4 2 1 HEC C3C C 6.188 1.403 -3.298 1.00 . D A . 166 HEC C3C 1 1
1 1135 4 2 1 HEC C3D C 2.616 1.615 -8.009 1.00 . D A . 166 HEC C3D 1 1
1 1136 4 2 1 HEC C4A C 7.740 2.798 -9.978 1.00 . D A . 166 HEC C4A 1 1
1 1137 4 2 1 HEC C4B C 9.302 3.032 -6.168 1.00 . D A . 166 HEC C4B 1 1
1 1138 4 2 1 HEC C4C C 5.740 1.592 -4.663 1.00 . D A . 166 HEC C4C 1 1
1 1139 4 2 1 HEC C4D C 3.951 2.053 -8.397 1.00 . D A . 166 HEC C4D 1 1
1 1140 4 2 1 HEC CAA C 5.163 2.787 -12.651 1.00 . D A . 166 HEC CAA 1 1
1 1141 4 2 1 HEC CAB C 11.839 3.661 -5.604 1.00 . D A . 166 HEC CAB 1 1
1 1142 4 2 1 HEC CAC C 5.499 0.616 -2.190 1.00 . D A . 166 HEC CAC 1 1
1 1143 4 2 1 HEC CAD C 1.344 1.353 -8.820 1.00 . D A . 166 HEC CAD 1 1
1 1144 4 2 1 HEC CBA C 5.446 1.652 -13.648 1.00 . D A . 166 HEC CBA 1 1
1 1145 4 2 1 HEC CBB C 12.252 5.137 -5.559 1.00 . D A . 166 HEC CBB 1 1
1 1146 4 2 1 HEC CBC C 4.963 1.477 -1.045 1.00 . D A . 166 HEC CBC 1 1
1 1147 4 2 1 HEC CBD C 1.445 0.972 -10.312 1.00 . D A . 166 HEC CBD 1 1
1 1148 4 2 1 HEC CGA C 4.537 1.708 -14.889 1.00 . D A . 166 HEC CGA 1 1
1 1149 4 2 1 HEC CGD C 1.388 2.146 -11.315 1.00 . D A . 166 HEC CGD 1 1
1 1150 4 2 1 HEC CHA C 4.322 2.363 -9.646 1.00 . D A . 166 HEC CHA 1 1
1 1151 4 2 1 HEC CHB C 8.998 2.988 -9.594 1.00 . D A . 166 HEC CHB 1 1
1 1152 4 2 1 HEC CHC C 8.928 2.860 -4.901 1.00 . D A . 166 HEC CHC 1 1
1 1153 4 2 1 HEC CHD C 4.507 1.287 -5.063 1.00 . D A . 166 HEC CHD 1 1
1 1154 4 2 1 HEC CMA C 8.234 3.437 -12.496 1.00 . D A . 166 HEC CMA 1 1
1 1155 4 2 1 HEC CMB C 11.826 3.750 -8.821 1.00 . D A . 166 HEC CMB 1 1
1 1156 4 2 1 HEC CMC C 8.363 2.033 -2.043 1.00 . D A . 166 HEC CMC 1 1
1 1157 4 2 1 HEC CMD C 1.563 0.864 -5.784 1.00 . D A . 166 HEC CMD 1 1
1 1158 4 2 1 HEC FE FE 6.690 2.400 -7.324 1.00 . D A . 166 HEC FE 1 1
1 1159 4 2 1 HEC HAA1 H 5.349 3.728 -13.163 1.00 . D A . 166 HEC HAA1 1 1
1 1160 4 2 1 HEC HAA2 H 4.103 2.726 -12.422 1.00 . D A . 166 HEC HAA2 1 1
1 1161 4 2 1 HEC HAB H 11.605 3.384 -4.581 1.00 . D A . 166 HEC HAB 1 1
1 1162 4 2 1 HEC HAC H 4.649 0.072 -2.596 1.00 . D A . 166 HEC HAC 1 1
1 1163 4 2 1 HEC HAD1 H 0.651 2.186 -8.704 1.00 . D A . 166 HEC HAD1 1 1
1 1164 4 2 1 HEC HAD2 H 0.873 0.484 -8.363 1.00 . D A . 166 HEC HAD2 1 1
1 1165 4 2 1 HEC HBA1 H 5.313 0.707 -13.128 1.00 . D A . 166 HEC HBA1 1 1
1 1166 4 2 1 HEC HBA2 H 6.483 1.700 -13.978 1.00 . D A . 166 HEC HBA2 1 1
1 1167 4 2 1 HEC HBB1 H 13.085 5.265 -4.867 1.00 . D A . 166 HEC HBB1 1 1
1 1168 4 2 1 HEC HBB2 H 12.564 5.487 -6.541 1.00 . D A . 166 HEC HBB2 1 1
1 1169 4 2 1 HEC HBB3 H 11.414 5.748 -5.222 1.00 . D A . 166 HEC HBB3 1 1
1 1170 4 2 1 HEC HBC1 H 5.761 1.984 -0.511 1.00 . D A . 166 HEC HBC1 1 1
1 1171 4 2 1 HEC HBC2 H 4.287 2.225 -1.458 1.00 . D A . 166 HEC HBC2 1 1
1 1172 4 2 1 HEC HBC3 H 4.419 0.843 -0.344 1.00 . D A . 166 HEC HBC3 1 1
1 1173 4 2 1 HEC HBD1 H 0.597 0.326 -10.540 1.00 . D A . 166 HEC HBD1 1 1
1 1174 4 2 1 HEC HBD2 H 2.343 0.368 -10.449 1.00 . D A . 166 HEC HBD2 1 1
1 1175 4 2 1 HEC HHA H 3.582 2.393 -10.401 1.00 . D A . 166 HEC HHA 1 1
1 1176 4 2 1 HEC HHB H 9.745 3.181 -10.337 1.00 . D A . 166 HEC HHB 1 1
1 1177 4 2 1 HEC HHC H 9.626 3.009 -4.109 1.00 . D A . 166 HEC HHC 1 1
1 1178 4 2 1 HEC HHD H 3.805 0.915 -4.348 1.00 . D A . 166 HEC HHD 1 1
1 1179 4 2 1 HEC HMA1 H 9.059 2.745 -12.659 1.00 . D A . 166 HEC HMA1 1 1
1 1180 4 2 1 HEC HMA2 H 7.665 3.520 -13.421 1.00 . D A . 166 HEC HMA2 1 1
1 1181 4 2 1 HEC HMA3 H 8.633 4.423 -12.256 1.00 . D A . 166 HEC HMA3 1 1
1 1182 4 2 1 HEC HMB1 H 12.703 4.067 -8.263 1.00 . D A . 166 HEC HMB1 1 1
1 1183 4 2 1 HEC HMB2 H 12.099 2.874 -9.411 1.00 . D A . 166 HEC HMB2 1 1
1 1184 4 2 1 HEC HMB3 H 11.540 4.564 -9.487 1.00 . D A . 166 HEC HMB3 1 1
1 1185 4 2 1 HEC HMC1 H 7.852 1.743 -1.129 1.00 . D A . 166 HEC HMC1 1 1
1 1186 4 2 1 HEC HMC2 H 9.186 1.333 -2.193 1.00 . D A . 166 HEC HMC2 1 1
1 1187 4 2 1 HEC HMC3 H 8.751 3.041 -1.919 1.00 . D A . 166 HEC HMC3 1 1
1 1188 4 2 1 HEC HMD1 H 1.607 1.301 -4.789 1.00 . D A . 166 HEC HMD1 1 1
1 1189 4 2 1 HEC HMD2 H 0.602 1.135 -6.219 1.00 . D A . 166 HEC HMD2 1 1
1 1190 4 2 1 HEC HMD3 H 1.614 -0.213 -5.676 1.00 . D A . 166 HEC HMD3 1 1
1 1191 4 2 1 HEC NA N 6.674 2.578 -9.217 1.00 . D A . 166 HEC NA 1 1
1 1192 4 2 1 HEC NB N 8.555 2.845 -7.255 1.00 . D A . 166 HEC NB 1 1
1 1193 4 2 1 HEC NC N 6.722 2.116 -5.402 1.00 . D A . 166 HEC NC 1 1
1 1194 4 2 1 HEC ND N 4.778 1.981 -7.341 1.00 . D A . 166 HEC ND 1 1
1 1195 4 2 1 HEC O1A O 4.224 2.848 -15.322 1.00 . D A . 166 HEC O1A 1 1
1 1196 4 2 1 HEC O1D O 1.110 3.287 -10.881 1.00 . D A . 166 HEC O1D 1 1
1 1197 4 2 1 HEC O2A O 4.204 0.618 -15.408 1.00 . D A . 166 HEC O2A 1 1
1 1198 4 2 1 HEC O2D O 1.749 1.906 -12.485 1.00 . D A . 166 HEC O2D 1 1
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