NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
|
|
566686 |
2mce   |
19437 | cing | 4-filtered-FRED | STAR | entry | full | 20 |
data_FRED_restraints_with_modified_coordinates_PDB_code_2mce
# This FRED archive file contains, for PDB entry <2mce>:
#
# - 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, WF Vranken, C Schulte, J Lin, JR Wedell, CJ Penkett, GW Vuister,
# G Vriend, JL Markley, and EL Ulrich (2009). The NMR Restraints Grid at BMRB for
# 5,266 Protein and Nucleic Acid PDB Entries. J Biomol. NMR 45, 389?396.
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID rr_2mce
_Entry.Title "wwPDB remediated NMR restraints for PDB entry 2mce"
_Entry.Version_type original
_Entry.NMR_STAR_version 3.1.0.8
_Entry.Experimental_method NMR
_Entry.Experimental_method_subtype solution
_Entry.Details "Contains the remediated restraint lists and coordinates for PDB entry 2mce"
_Entry.PDB_coordinate_file_version 3.20
loop_
_Related_entries.Database_name
_Related_entries.Database_accession_code
_Related_entries.Relationship
_Related_entries.Entry_ID
PDB 2mce "Master copy" rr_2mce
stop_
save_
save_assembly
_Assembly.Sf_category assembly
_Assembly.Sf_framecode assembly
_Assembly.Entry_ID rr_2mce
_Assembly.ID 1
_Assembly.Name 2mce
_Assembly.Number_of_components 1
_Assembly.Organic_ligands 0
_Assembly.Metal_ions 0
_Assembly.Non_standard_bonds no
_Assembly.Paramagnetic no
_Assembly.Thiol_state "not present"
_Assembly.Molecular_mass 2323.6082
loop_
_Entity_assembly.ID
_Entity_assembly.Entity_assembly_name
_Entity_assembly.Entity_ID
_Entity_assembly.Entity_label
_Entity_assembly.Asym_ID
_Entity_assembly.PDB_chain_ID
_Entity_assembly.Experimental_data_reported
_Entity_assembly.Physical_state
_Entity_assembly.Conformational_isomer
_Entity_assembly.Chemical_exchange_state
_Entity_assembly.Magnetic_equivalence_group_code
_Entity_assembly.Role
_Entity_assembly.Details
_Entity_assembly.Entry_ID
_Entity_assembly.Assembly_ID
1 "Neuropeptide gamma" 1 $Neuropeptide_gamma A . no . . . . . . rr_2mce 1
stop_
save_
save_Neuropeptide_gamma
_Entity.Sf_category entity
_Entity.Sf_framecode Neuropeptide_gamma
_Entity.Entry_ID rr_2mce
_Entity.ID 1
_Entity.Name Neuropeptide_gamma
_Entity.Type polymer
_Entity.Polymer_type polypeptide(L)
_Entity.Polymer_strand_ID A
_Entity.Polymer_seq_one_letter_code
;DAGHGQISHKRHKTDSFVGL
M
;
_Entity.Ambiguous_conformational_states no
_Entity.Ambiguous_chem_comp_sites no
_Entity.Nstd_monomer no
_Entity.Nstd_chirality no
_Entity.Nstd_linkage no
_Entity.Number_of_monomers 21
_Entity.Paramagnetic no
_Entity.Thiol_state "not present"
_Entity.Parent_entity_ID 1
_Entity.Formula_weight 2323.6082
loop_
_Entity_comp_index.ID
_Entity_comp_index.Auth_seq_ID
_Entity_comp_index.Comp_ID
_Entity_comp_index.Comp_label
_Entity_comp_index.Entry_ID
_Entity_comp_index.Entity_ID
1 . ASP . rr_2mce 1
2 . ALA . rr_2mce 1
3 . GLY . rr_2mce 1
4 . HIS . rr_2mce 1
5 . GLY . rr_2mce 1
6 . GLN . rr_2mce 1
7 . ILE . rr_2mce 1
8 . SER . rr_2mce 1
9 . HIS . rr_2mce 1
10 . LYS . rr_2mce 1
11 . ARG . rr_2mce 1
12 . HIS . rr_2mce 1
13 . LYS . rr_2mce 1
14 . THR . rr_2mce 1
15 . ASP . rr_2mce 1
16 . SER . rr_2mce 1
17 . PHE . rr_2mce 1
18 . VAL . rr_2mce 1
19 . GLY . rr_2mce 1
20 . LEU . rr_2mce 1
21 . MET . rr_2mce 1
stop_
loop_
_Entity_poly_seq.Hetero
_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
. ASP 1 1 rr_2mce 1
. ALA 2 2 rr_2mce 1
. GLY 3 3 rr_2mce 1
. HIS 4 4 rr_2mce 1
. GLY 5 5 rr_2mce 1
. GLN 6 6 rr_2mce 1
. ILE 7 7 rr_2mce 1
. SER 8 8 rr_2mce 1
. HIS 9 9 rr_2mce 1
. LYS 10 10 rr_2mce 1
. ARG 11 11 rr_2mce 1
. HIS 12 12 rr_2mce 1
. LYS 13 13 rr_2mce 1
. THR 14 14 rr_2mce 1
. ASP 15 15 rr_2mce 1
. SER 16 16 rr_2mce 1
. PHE 17 17 rr_2mce 1
. VAL 18 18 rr_2mce 1
. GLY 19 19 rr_2mce 1
. LEU 20 20 rr_2mce 1
. MET 21 21 rr_2mce 1
stop_
save_
save_conformer_statistics
_Conformer_stat_list.Sf_category conformer_statistics
_Conformer_stat_list.Sf_framecode conformer_statistics
_Conformer_stat_list.Entry_ID rr_2mce
_Conformer_stat_list.ID 1
_Conformer_stat_list.Conf_family_coord_set_ID 1
_Conformer_stat_list.Conf_family_coord_set_label $Original_constraints_and_structures
_Conformer_stat_list.Conformer_submitted_total_num 20
save_
save_ensemble_of_conformers
_Conformer_family_coord_set.Sf_category conformer_family_coord_set
_Conformer_family_coord_set.Sf_framecode ensemble_of_conformers
_Conformer_family_coord_set.Entry_ID rr_2mce
_Conformer_family_coord_set.ID 1
loop_
_Conformer_family_refinement.Refine_method
_Conformer_family_refinement.Refine_details
_Conformer_family_refinement.Software_ID
_Conformer_family_refinement.Software_label
_Conformer_family_refinement.Entry_ID
_Conformer_family_refinement.Conformer_family_coord_set_ID
1 . . . rr_2mce 1
stop_
loop_
_Conformer_family_software.Software_ID
_Conformer_family_software.Software_label
_Conformer_family_software.Method_ID
_Conformer_family_software.Method_label
_Conformer_family_software.Entry_ID
_Conformer_family_software.Conformer_family_coord_set_ID
. . . . rr_2mce 1
stop_
loop_
_Atom_site.Assembly_ID
_Atom_site.Model_ID
_Atom_site.Model_site_ID
_Atom_site.ID
_Atom_site.Assembly_atom_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.Cartn_x_esd
_Atom_site.Cartn_y_esd
_Atom_site.Cartn_z_esd
_Atom_site.Occupancy
_Atom_site.Occupancy_esd
_Atom_site.Uncertainty
_Atom_site.Ordered_flag
_Atom_site.Footnote_ID
_Atom_site.PDBX_label_asym_ID
_Atom_site.PDBX_label_seq_ID
_Atom_site.PDBX_label_comp_ID
_Atom_site.PDBX_label_atom_ID
_Atom_site.PDBX_formal_charge
_Atom_site.PDBX_label_entity_ID
_Atom_site.PDB_record_ID
_Atom_site.PDB_model_num
_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.Auth_entity_assembly_ID
_Atom_site.Auth_asym_ID
_Atom_site.Auth_chain_ID
_Atom_site.Auth_seq_ID
_Atom_site.Auth_comp_ID
_Atom_site.Auth_atom_ID
_Atom_site.Auth_alt_ID
_Atom_site.Auth_atom_name
_Atom_site.Details
_Atom_site.Entry_ID
_Atom_site.Conformer_family_coord_set_ID
. 1 . 1 . 1 1 1 ASP C C -14.734 5.910 3.208 . . . 1.0 . . . . . . . . . . . . A . 1 ASP C . . . . . . . . . rr_2mce 1
. 1 . 2 . 1 1 1 ASP CA C -15.203 7.333 3.517 . . . 1.0 . . . . . . . . . . . . A . 1 ASP CA . . . . . . . . . rr_2mce 1
. 1 . 3 . 1 1 1 ASP CB C -13.965 8.227 3.617 . . . 1.0 . . . . . . . . . . . . A . 1 ASP CB . . . . . . . . . rr_2mce 1
. 1 . 4 . 1 1 1 ASP CG C -13.273 8.221 4.982 . . . 1.0 . . . . . . . . . . . . A . 1 ASP CG . . . . . . . . . rr_2mce 1
. 1 . 5 . 1 1 1 ASP H1 H -15.392 7.333 5.591 . . . 1.0 . . . . . . . . . . . . A . 1 ASP H1 . . . . . . . . . rr_2mce 1
. 1 . 6 . 1 1 1 ASP HA H -15.895 7.716 2.767 . . . 1.0 . . . . . . . . . . . . A . 1 ASP HA . . . . . . . . . rr_2mce 1
. 1 . 7 . 1 1 1 ASP HB2 H -13.246 7.914 2.861 . . . 1.0 . . . . . . . . . . . . A . 1 ASP HB2 . . . . . . . . . rr_2mce 1
. 1 . 8 . 1 1 1 ASP HB3 H -14.254 9.250 3.378 . . . 1.0 . . . . . . . . . . . . A . 1 ASP HB3 . . . . . . . . . rr_2mce 1
. 1 . 9 . 1 1 1 ASP HD2 H -12.905 10.025 5.379 . . . 1.0 . . . . . . . . . . . . A . 1 ASP HD2 . . . . . . . . . rr_2mce 1
. 1 . 10 . 1 1 1 ASP N N -15.951 7.333 4.762 . . . 1.0 . . . . . . . . . . . . A . 1 ASP N . . . . . . . . . rr_2mce 1
. 1 . 11 . 1 1 1 ASP O O -13.931 5.343 3.949 . . . 1.0 . . . . . . . . . . . . A . 1 ASP O . . . . . . . . . rr_2mce 1
. 1 . 12 . 1 1 1 ASP OD1 O -12.573 7.262 5.339 . . . 1.0 . . . . . . . . . . . . A . 1 ASP OD1 . . . . . . . . . rr_2mce 1
. 1 . 13 . 1 1 1 ASP OD2 O -13.478 9.272 5.702 . . . 1.0 . . . . . . . . . . . . A . 1 ASP OD2 . . . . . . . . . rr_2mce 1
. 1 . 14 . 1 1 2 ALA C C -13.681 4.087 0.775 . . . 1.0 . . . . . . . . . . . . A . 2 ALA C . . . . . . . . . rr_2mce 1
. 1 . 15 . 1 1 2 ALA CA C -14.899 4.027 1.699 . . . 1.0 . . . . . . . . . . . . A . 2 ALA CA . . . . . . . . . rr_2mce 1
. 1 . 16 . 1 1 2 ALA CB C -16.105 3.363 1.032 . . . 1.0 . . . . . . . . . . . . A . 2 ALA CB . . . . . . . . . rr_2mce 1
. 1 . 17 . 1 1 2 ALA H H -15.906 5.841 1.518 . . . 1.0 . . . . . . . . . . . . A . 2 ALA H . . . . . . . . . rr_2mce 1
. 1 . 18 . 1 1 2 ALA HA H -14.638 3.462 2.594 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HA . . . . . . . . . rr_2mce 1
. 1 . 19 . 1 1 2 ALA HB1 H -15.985 3.397 -0.051 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HB1 . . . . . . . . . rr_2mce 1
. 1 . 20 . 1 1 2 ALA HB2 H -16.175 2.325 1.357 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HB2 . . . . . . . . . rr_2mce 1
. 1 . 21 . 1 1 2 ALA HB3 H -17.014 3.894 1.314 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HB3 . . . . . . . . . rr_2mce 1
. 1 . 22 . 1 1 2 ALA N N -15.254 5.373 2.114 . . . 1.0 . . . . . . . . . . . . A . 2 ALA N . . . . . . . . . rr_2mce 1
. 1 . 23 . 1 1 2 ALA O O -12.775 3.262 0.881 . . . 1.0 . . . . . . . . . . . . A . 2 ALA O . . . . . . . . . rr_2mce 1
. 1 . 24 . 1 1 3 GLY C C -11.362 5.799 -0.352 . . . 1.0 . . . . . . . . . . . . A . 3 GLY C . . . . . . . . . rr_2mce 1
. 1 . 25 . 1 1 3 GLY CA C -12.607 5.252 -1.053 . . . 1.0 . . . . . . . . . . . . A . 3 GLY CA . . . . . . . . . rr_2mce 1
. 1 . 26 . 1 1 3 GLY H H -14.440 5.740 -0.190 . . . 1.0 . . . . . . . . . . . . A . 3 GLY H . . . . . . . . . rr_2mce 1
. 1 . 27 . 1 1 3 GLY HA2 H -12.372 4.300 -1.528 . . . 1.0 . . . . . . . . . . . . A . 3 GLY HA2 . . . . . . . . . rr_2mce 1
. 1 . 28 . 1 1 3 GLY HA3 H -12.914 5.936 -1.844 . . . 1.0 . . . . . . . . . . . . A . 3 GLY HA3 . . . . . . . . . rr_2mce 1
. 1 . 29 . 1 1 3 GLY N N -13.699 5.073 -0.111 . . . 1.0 . . . . . . . . . . . . A . 3 GLY N . . . . . . . . . rr_2mce 1
. 1 . 30 . 1 1 3 GLY O O -10.323 5.988 -0.983 . . . 1.0 . . . . . . . . . . . . A . 3 GLY O . . . . . . . . . rr_2mce 1
. 1 . 31 . 1 1 4 HIS C C -9.391 5.449 1.996 . . . 1.0 . . . . . . . . . . . . A . 4 HIS C . . . . . . . . . rr_2mce 1
. 1 . 32 . 1 1 4 HIS CA C -10.409 6.561 1.736 . . . 1.0 . . . . . . . . . . . . A . 4 HIS CA . . . . . . . . . rr_2mce 1
. 1 . 33 . 1 1 4 HIS CB C -10.926 7.205 3.024 . . . 1.0 . . . . . . . . . . . . A . 4 HIS CB . . . . . . . . . rr_2mce 1
. 1 . 34 . 1 1 4 HIS CD2 C -9.440 6.308 4.979 . . . 1.0 . . . . . . . . . . . . A . 4 HIS CD2 . . . . . . . . . rr_2mce 1
. 1 . 35 . 1 1 4 HIS CE1 C -8.406 8.174 5.465 . . . 1.0 . . . . . . . . . . . . A . 4 HIS CE1 . . . . . . . . . rr_2mce 1
. 1 . 36 . 1 1 4 HIS CG C -9.901 7.272 4.131 . . . 1.0 . . . . . . . . . . . . A . 4 HIS CG . . . . . . . . . rr_2mce 1
. 1 . 37 . 1 1 4 HIS H H -12.357 5.883 1.448 . . . 1.0 . . . . . . . . . . . . A . 4 HIS H . . . . . . . . . rr_2mce 1
. 1 . 38 . 1 1 4 HIS HA H -9.937 7.342 1.140 . . . 1.0 . . . . . . . . . . . . A . 4 HIS HA . . . . . . . . . rr_2mce 1
. 1 . 39 . 1 1 4 HIS HB2 H -11.271 8.214 2.801 . . . 1.0 . . . . . . . . . . . . A . 4 HIS HB2 . . . . . . . . . rr_2mce 1
. 1 . 40 . 1 1 4 HIS HB3 H -11.791 6.643 3.377 . . . 1.0 . . . . . . . . . . . . A . 4 HIS HB3 . . . . . . . . . rr_2mce 1
. 1 . 41 . 1 1 4 HIS HD1 H -9.350 9.326 4.021 . . . 1.0 . . . . . . . . . . . . A . 4 HIS HD1 . . . . . . . . . rr_2mce 1
. 1 . 42 . 1 1 4 HIS HD2 H -9.760 5.266 4.992 . . . 1.0 . . . . . . . . . . . . A . 4 HIS HD2 . . . . . . . . . rr_2mce 1
. 1 . 43 . 1 1 4 HIS HE1 H -7.740 8.887 5.951 . . . 1.0 . . . . . . . . . . . . A . 4 HIS HE1 . . . . . . . . . rr_2mce 1
. 1 . 44 . 1 1 4 HIS N N -11.509 6.039 0.943 . . . 1.0 . . . . . . . . . . . . A . 4 HIS N . . . . . . . . . rr_2mce 1
. 1 . 45 . 1 1 4 HIS ND1 N -9.231 8.437 4.463 . . . 1.0 . . . . . . . . . . . . A . 4 HIS ND1 . . . . . . . . . rr_2mce 1
. 1 . 46 . 1 1 4 HIS NE2 N -8.536 6.854 5.783 . . . 1.0 . . . . . . . . . . . . A . 4 HIS NE2 . . . . . . . . . rr_2mce 1
. 1 . 47 . 1 1 4 HIS O O -8.226 5.723 2.280 . . . 1.0 . . . . . . . . . . . . A . 4 HIS O . . . . . . . . . rr_2mce 1
. 1 . 48 . 1 1 5 GLY C C -8.241 2.702 0.840 . . . 1.0 . . . . . . . . . . . . A . 5 GLY C . . . . . . . . . rr_2mce 1
. 1 . 49 . 1 1 5 GLY CA C -9.013 3.063 2.110 . . . 1.0 . . . . . . . . . . . . A . 5 GLY CA . . . . . . . . . rr_2mce 1
. 1 . 50 . 1 1 5 GLY H H -10.816 4.003 1.659 . . . 1.0 . . . . . . . . . . . . A . 5 GLY H . . . . . . . . . rr_2mce 1
. 1 . 51 . 1 1 5 GLY HA2 H -8.313 3.273 2.919 . . . 1.0 . . . . . . . . . . . . A . 5 GLY HA2 . . . . . . . . . rr_2mce 1
. 1 . 52 . 1 1 5 GLY HA3 H -9.618 2.213 2.426 . . . 1.0 . . . . . . . . . . . . A . 5 GLY HA3 . . . . . . . . . rr_2mce 1
. 1 . 53 . 1 1 5 GLY N N -9.867 4.218 1.890 . . . 1.0 . . . . . . . . . . . . A . 5 GLY N . . . . . . . . . rr_2mce 1
. 1 . 54 . 1 1 5 GLY O O -7.248 1.978 0.897 . . . 1.0 . . . . . . . . . . . . A . 5 GLY O . . . . . . . . . rr_2mce 1
. 1 . 55 . 1 1 6 GLN C C -6.759 3.708 -1.653 . . . 1.0 . . . . . . . . . . . . A . 6 GLN C . . . . . . . . . rr_2mce 1
. 1 . 56 . 1 1 6 GLN CA C -8.093 2.965 -1.560 . . . 1.0 . . . . . . . . . . . . A . 6 GLN CA . . . . . . . . . rr_2mce 1
. 1 . 57 . 1 1 6 GLN CB C -9.018 3.353 -2.715 . . . 1.0 . . . . . . . . . . . . A . 6 GLN CB . . . . . . . . . rr_2mce 1
. 1 . 58 . 1 1 6 GLN CD C -10.637 2.508 -4.455 . . . 1.0 . . . . . . . . . . . . A . 6 GLN CD . . . . . . . . . rr_2mce 1
. 1 . 59 . 1 1 6 GLN CG C -9.706 2.120 -3.305 . . . 1.0 . . . . . . . . . . . . A . 6 GLN CG . . . . . . . . . rr_2mce 1
. 1 . 60 . 1 1 6 GLN H H -9.534 3.811 -0.316 . . . 1.0 . . . . . . . . . . . . A . 6 GLN H . . . . . . . . . rr_2mce 1
. 1 . 61 . 1 1 6 GLN HA H -7.920 1.889 -1.586 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HA . . . . . . . . . rr_2mce 1
. 1 . 62 . 1 1 6 GLN HB2 H -9.770 4.059 -2.363 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HB2 . . . . . . . . . rr_2mce 1
. 1 . 63 . 1 1 6 GLN HB3 H -8.444 3.860 -3.491 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HB3 . . . . . . . . . rr_2mce 1
. 1 . 64 . 1 1 6 GLN HE21 H -12.025 3.050 -3.084 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HE21 . . . . . . . . . rr_2mce 1
. 1 . 65 . 1 1 6 GLN HE22 H -12.496 3.259 -4.738 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HE22 . . . . . . . . . rr_2mce 1
. 1 . 66 . 1 1 6 GLN HG2 H -8.954 1.416 -3.663 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HG2 . . . . . . . . . rr_2mce 1
. 1 . 67 . 1 1 6 GLN HG3 H -10.274 1.609 -2.528 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HG3 . . . . . . . . . rr_2mce 1
. 1 . 68 . 1 1 6 GLN N N -8.726 3.223 -0.278 . . . 1.0 . . . . . . . . . . . . A . 6 GLN N . . . . . . . . . rr_2mce 1
. 1 . 69 . 1 1 6 GLN NE2 N -11.817 2.978 -4.060 . . . 1.0 . . . . . . . . . . . . A . 6 GLN NE2 . . . . . . . . . rr_2mce 1
. 1 . 70 . 1 1 6 GLN O O -5.894 3.341 -2.447 . . . 1.0 . . . . . . . . . . . . A . 6 GLN O . . . . . . . . . rr_2mce 1
. 1 . 71 . 1 1 6 GLN OE1 O -10.307 2.389 -5.623 . . . 1.0 . . . . . . . . . . . . A . 6 GLN OE1 . . . . . . . . . rr_2mce 1
. 1 . 72 . 1 1 7 ILE C C -4.378 4.850 0.076 . . . 1.0 . . . . . . . . . . . . A . 7 ILE C . . . . . . . . . rr_2mce 1
. 1 . 73 . 1 1 7 ILE CA C -5.419 5.537 -0.810 . . . 1.0 . . . . . . . . . . . . A . 7 ILE CA . . . . . . . . . rr_2mce 1
. 1 . 74 . 1 1 7 ILE CB C -5.730 6.975 -0.391 . . . 1.0 . . . . . . . . . . . . A . 7 ILE CB . . . . . . . . . rr_2mce 1
. 1 . 75 . 1 1 7 ILE CD1 C -5.147 9.288 -1.210 . . . 1.0 . . . . . . . . . . . . A . 7 ILE CD1 . . . . . . . . . rr_2mce 1
. 1 . 76 . 1 1 7 ILE CG1 C -4.598 7.921 -0.796 . . . 1.0 . . . . . . . . . . . . A . 7 ILE CG1 . . . . . . . . . rr_2mce 1
. 1 . 77 . 1 1 7 ILE CG2 C -6.036 7.056 1.106 . . . 1.0 . . . . . . . . . . . . A . 7 ILE CG2 . . . . . . . . . rr_2mce 1
. 1 . 78 . 1 1 7 ILE H H -7.342 5.031 -0.187 . . . 1.0 . . . . . . . . . . . . A . 7 ILE H . . . . . . . . . rr_2mce 1
. 1 . 79 . 1 1 7 ILE HA H -5.035 5.574 -1.829 . . . 1.0 . . . . . . . . . . . . A . 7 ILE HA . . . . . . . . . rr_2mce 1
. 1 . 80 . 1 1 7 ILE HB H -6.626 7.299 -0.920 . . . 1.0 . . . . . . . . . . . . A . 7 ILE HB . . . . . . . . . rr_2mce 1
. 1 . 81 . 1 1 7 ILE HD11 H -4.346 10.026 -1.180 . . . 1.0 . . . . . . . . . . . . A . 7 ILE HD11 . . . . . . . . . rr_2mce 1
. 1 . 82 . 1 1 7 ILE HD12 H -5.548 9.227 -2.222 . . . 1.0 . . . . . . . . . . . . A . 7 ILE HD12 . . . . . . . . . rr_2mce 1
. 1 . 83 . 1 1 7 ILE HD13 H -5.940 9.584 -0.523 . . . 1.0 . . . . . . . . . . . . A . 7 ILE HD13 . . . . . . . . . rr_2mce 1
. 1 . 84 . 1 1 7 ILE HG12 H -3.904 8.041 0.036 . . . 1.0 . . . . . . . . . . . . A . 7 ILE HG12 . . . . . . . . . rr_2mce 1
. 1 . 85 . 1 1 7 ILE HG13 H -4.034 7.486 -1.622 . . . 1.0 . . . . . . . . . . . . A . 7 ILE HG13 . . . . . . . . . rr_2mce 1
. 1 . 86 . 1 1 7 ILE HG21 H -5.407 7.819 1.565 . . . 1.0 . . . . . . . . . . . . A . 7 ILE HG21 . . . . . . . . . rr_2mce 1
. 1 . 87 . 1 1 7 ILE HG22 H -7.085 7.317 1.249 . . . 1.0 . . . . . . . . . . . . A . 7 ILE HG22 . . . . . . . . . rr_2mce 1
. 1 . 88 . 1 1 7 ILE HG23 H -5.835 6.091 1.571 . . . 1.0 . . . . . . . . . . . . A . 7 ILE HG23 . . . . . . . . . rr_2mce 1
. 1 . 89 . 1 1 7 ILE N N -6.634 4.739 -0.830 . . . 1.0 . . . . . . . . . . . . A . 7 ILE N . . . . . . . . . rr_2mce 1
. 1 . 90 . 1 1 7 ILE O O -3.185 5.130 -0.031 . . . 1.0 . . . . . . . . . . . . A . 7 ILE O . . . . . . . . . rr_2mce 1
. 1 . 91 . 1 1 8 SER C C -3.302 2.092 1.086 . . . 1.0 . . . . . . . . . . . . A . 8 SER C . . . . . . . . . rr_2mce 1
. 1 . 92 . 1 1 8 SER CA C -3.993 3.234 1.834 . . . 1.0 . . . . . . . . . . . . A . 8 SER CA . . . . . . . . . rr_2mce 1
. 1 . 93 . 1 1 8 SER CB C -4.772 2.688 3.032 . . . 1.0 . . . . . . . . . . . . A . 8 SER CB . . . . . . . . . rr_2mce 1
. 1 . 94 . 1 1 8 SER H H -5.838 3.741 1.011 . . . 1.0 . . . . . . . . . . . . A . 8 SER H . . . . . . . . . rr_2mce 1
. 1 . 95 . 1 1 8 SER HA H -3.261 3.964 2.179 . . . 1.0 . . . . . . . . . . . . A . 8 SER HA . . . . . . . . . rr_2mce 1
. 1 . 96 . 1 1 8 SER HB2 H -5.702 3.246 3.145 . . . 1.0 . . . . . . . . . . . . A . 8 SER HB2 . . . . . . . . . rr_2mce 1
. 1 . 97 . 1 1 8 SER HB3 H -5.044 1.649 2.845 . . . 1.0 . . . . . . . . . . . . A . 8 SER HB3 . . . . . . . . . rr_2mce 1
. 1 . 98 . 1 1 8 SER HG H -3.043 2.802 4.033 . . . 1.0 . . . . . . . . . . . . A . 8 SER HG . . . . . . . . . rr_2mce 1
. 1 . 99 . 1 1 8 SER N N -4.867 3.963 0.930 . . . 1.0 . . . . . . . . . . . . A . 8 SER N . . . . . . . . . rr_2mce 1
. 1 . 100 . 1 1 8 SER O O -2.275 1.585 1.533 . . . 1.0 . . . . . . . . . . . . A . 8 SER O . . . . . . . . . rr_2mce 1
. 1 . 101 . 1 1 8 SER OG O -4.021 2.771 4.240 . . . 1.0 . . . . . . . . . . . . A . 8 SER OG . . . . . . . . . rr_2mce 1
. 1 . 102 . 1 1 9 HIS C C -1.992 1.074 -1.421 . . . 1.0 . . . . . . . . . . . . A . 9 HIS C . . . . . . . . . rr_2mce 1
. 1 . 103 . 1 1 9 HIS CA C -3.348 0.649 -0.855 . . . 1.0 . . . . . . . . . . . . A . 9 HIS CA . . . . . . . . . rr_2mce 1
. 1 . 104 . 1 1 9 HIS CB C -4.340 0.234 -1.942 . . . 1.0 . . . . . . . . . . . . A . 9 HIS CB . . . . . . . . . rr_2mce 1
. 1 . 105 . 1 1 9 HIS CD2 C -3.922 -2.299 -1.449 . . . 1.0 . . . . . . . . . . . . A . 9 HIS CD2 . . . . . . . . . rr_2mce 1
. 1 . 106 . 1 1 9 HIS CE1 C -5.627 -3.116 -2.551 . . . 1.0 . . . . . . . . . . . . A . 9 HIS CE1 . . . . . . . . . rr_2mce 1
. 1 . 107 . 1 1 9 HIS CG C -4.602 -1.252 -2.000 . . . 1.0 . . . . . . . . . . . . A . 9 HIS CG . . . . . . . . . rr_2mce 1
. 1 . 108 . 1 1 9 HIS H H -4.729 2.139 -0.397 . . . 1.0 . . . . . . . . . . . . A . 9 HIS H . . . . . . . . . rr_2mce 1
. 1 . 109 . 1 1 9 HIS HA H -3.204 -0.205 -0.192 . . . 1.0 . . . . . . . . . . . . A . 9 HIS HA . . . . . . . . . rr_2mce 1
. 1 . 110 . 1 1 9 HIS HB2 H -5.285 0.752 -1.776 . . . 1.0 . . . . . . . . . . . . A . 9 HIS HB2 . . . . . . . . . rr_2mce 1
. 1 . 111 . 1 1 9 HIS HB3 H -3.962 0.563 -2.910 . . . 1.0 . . . . . . . . . . . . A . 9 HIS HB3 . . . . . . . . . rr_2mce 1
. 1 . 112 . 1 1 9 HIS HD1 H -6.359 -1.288 -3.202 . . . 1.0 . . . . . . . . . . . . A . 9 HIS HD1 . . . . . . . . . rr_2mce 1
. 1 . 113 . 1 1 9 HIS HD2 H -3.022 -2.224 -0.839 . . . 1.0 . . . . . . . . . . . . A . 9 HIS HD2 . . . . . . . . . rr_2mce 1
. 1 . 114 . 1 1 9 HIS HE1 H -6.333 -3.829 -2.977 . . . 1.0 . . . . . . . . . . . . A . 9 HIS HE1 . . . . . . . . . rr_2mce 1
. 1 . 115 . 1 1 9 HIS N N -3.894 1.721 -0.040 . . . 1.0 . . . . . . . . . . . . A . 9 HIS N . . . . . . . . . rr_2mce 1
. 1 . 116 . 1 1 9 HIS ND1 N -5.671 -1.799 -2.688 . . . 1.0 . . . . . . . . . . . . A . 9 HIS ND1 . . . . . . . . . rr_2mce 1
. 1 . 117 . 1 1 9 HIS NE2 N -4.543 -3.424 -1.782 . . . 1.0 . . . . . . . . . . . . A . 9 HIS NE2 . . . . . . . . . rr_2mce 1
. 1 . 118 . 1 1 9 HIS O O -1.181 0.230 -1.801 . . . 1.0 . . . . . . . . . . . . A . 9 HIS O . . . . . . . . . rr_2mce 1
. 1 . 119 . 1 1 10 LYS C C 0.590 2.618 -0.992 . . . 1.0 . . . . . . . . . . . . A . 10 LYS C . . . . . . . . . rr_2mce 1
. 1 . 120 . 1 1 10 LYS CA C -0.542 2.930 -1.973 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CA . . . . . . . . . rr_2mce 1
. 1 . 121 . 1 1 10 LYS CB C -0.698 4.421 -2.277 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CB . . . . . . . . . rr_2mce 1
. 1 . 122 . 1 1 10 LYS CD C 0.090 4.800 -4.643 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CD . . . . . . . . . rr_2mce 1
. 1 . 123 . 1 1 10 LYS CE C 1.319 5.034 -5.523 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CE . . . . . . . . . rr_2mce 1
. 1 . 124 . 1 1 10 LYS CG C 0.446 4.923 -3.160 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CG . . . . . . . . . rr_2mce 1
. 1 . 125 . 1 1 10 LYS H H -2.450 3.062 -1.148 . . . 1.0 . . . . . . . . . . . . A . 10 LYS H . . . . . . . . . rr_2mce 1
. 1 . 126 . 1 1 10 LYS HA H -0.329 2.429 -2.917 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HA . . . . . . . . . rr_2mce 1
. 1 . 127 . 1 1 10 LYS HB2 H -1.651 4.597 -2.776 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HB2 . . . . . . . . . rr_2mce 1
. 1 . 128 . 1 1 10 LYS HB3 H -0.718 4.986 -1.345 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HB3 . . . . . . . . . rr_2mce 1
. 1 . 129 . 1 1 10 LYS HD2 H -0.320 3.809 -4.840 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HD2 . . . . . . . . . rr_2mce 1
. 1 . 130 . 1 1 10 LYS HD3 H -0.686 5.522 -4.895 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HD3 . . . . . . . . . rr_2mce 1
. 1 . 131 . 1 1 10 LYS HE2 H 2.225 4.954 -4.922 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HE2 . . . . . . . . . rr_2mce 1
. 1 . 132 . 1 1 10 LYS HE3 H 1.377 4.261 -6.290 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HE3 . . . . . . . . . rr_2mce 1
. 1 . 133 . 1 1 10 LYS HG2 H 0.665 5.964 -2.920 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HG2 . . . . . . . . . rr_2mce 1
. 1 . 134 . 1 1 10 LYS HG3 H 1.350 4.351 -2.950 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HG3 . . . . . . . . . rr_2mce 1
. 1 . 135 . 1 1 10 LYS HZ1 H 2.177 6.739 -6.360 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HZ1 . . . . . . . . . rr_2mce 1
. 1 . 136 . 1 1 10 LYS HZ3 H 0.787 7.048 -5.570 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HZ3 . . . . . . . . . rr_2mce 1
. 1 . 137 . 1 1 10 LYS N N -1.786 2.383 -1.459 . . . 1.0 . . . . . . . . . . . . A . 10 LYS N . . . . . . . . . rr_2mce 1
. 1 . 138 . 1 1 10 LYS NZ N 1.254 6.368 -6.160 . . . 1.0 . . . . . . . . . . . . A . 10 LYS NZ . . . . . . . . . rr_2mce 1
. 1 . 139 . 1 1 10 LYS O O 1.760 2.609 -1.372 . . . 1.0 . . . . . . . . . . . . A . 10 LYS O . . . . . . . . . rr_2mce 1
. 1 . 140 . 1 1 11 ARG C C 1.513 0.566 1.264 . . . 1.0 . . . . . . . . . . . . A . 11 ARG C . . . . . . . . . rr_2mce 1
. 1 . 141 . 1 1 11 ARG CA C 1.171 2.057 1.288 . . . 1.0 . . . . . . . . . . . . A . 11 ARG CA . . . . . . . . . rr_2mce 1
. 1 . 142 . 1 1 11 ARG CB C 0.634 2.428 2.672 . . . 1.0 . . . . . . . . . . . . A . 11 ARG CB . . . . . . . . . rr_2mce 1
. 1 . 143 . 1 1 11 ARG CD C -0.474 4.659 3.063 . . . 1.0 . . . . . . . . . . . . A . 11 ARG CD . . . . . . . . . rr_2mce 1
. 1 . 144 . 1 1 11 ARG CG C 0.858 3.912 2.967 . . . 1.0 . . . . . . . . . . . . A . 11 ARG CG . . . . . . . . . rr_2mce 1
. 1 . 145 . 1 1 11 ARG CZ C -1.083 7.084 3.021 . . . 1.0 . . . . . . . . . . . . A . 11 ARG CZ . . . . . . . . . rr_2mce 1
. 1 . 146 . 1 1 11 ARG H H -0.751 2.378 0.551 . . . 1.0 . . . . . . . . . . . . A . 11 ARG H . . . . . . . . . rr_2mce 1
. 1 . 147 . 1 1 11 ARG HA H 2.044 2.663 1.046 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HA . . . . . . . . . rr_2mce 1
. 1 . 148 . 1 1 11 ARG HB2 H -0.430 2.199 2.726 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HB2 . . . . . . . . . rr_2mce 1
. 1 . 149 . 1 1 11 ARG HB3 H 1.129 1.824 3.432 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HB3 . . . . . . . . . rr_2mce 1
. 1 . 150 . 1 1 11 ARG HD2 H -1.026 4.557 2.129 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HD2 . . . . . . . . . rr_2mce 1
. 1 . 151 . 1 1 11 ARG HD3 H -1.091 4.220 3.847 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HD3 . . . . . . . . . rr_2mce 1
. 1 . 152 . 1 1 11 ARG HE H 0.615 6.336 3.824 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HE . . . . . . . . . rr_2mce 1
. 1 . 153 . 1 1 11 ARG HG2 H 1.409 4.022 3.901 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HG2 . . . . . . . . . rr_2mce 1
. 1 . 154 . 1 1 11 ARG HG3 H 1.471 4.355 2.181 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HG3 . . . . . . . . . rr_2mce 1
. 1 . 155 . 1 1 11 ARG HH11 H -2.475 5.865 2.155 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HH11 . . . . . . . . . rr_2mce 1
. 1 . 156 . 1 1 11 ARG HH12 H -2.867 7.552 2.142 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HH12 . . . . . . . . . rr_2mce 1
. 1 . 157 . 1 1 11 ARG HH22 H -1.340 9.119 3.120 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HH22 . . . . . . . . . rr_2mce 1
. 1 . 158 . 1 1 11 ARG N N 0.203 2.369 0.250 . . . 1.0 . . . . . . . . . . . . A . 11 ARG N . . . . . . . . . rr_2mce 1
. 1 . 159 . 1 1 11 ARG NE N -0.232 6.090 3.353 . . . 1.0 . . . . . . . . . . . . A . 11 ARG NE . . . . . . . . . rr_2mce 1
. 1 . 160 . 1 1 11 ARG NH1 N -2.242 6.810 2.384 . . . 1.0 . . . . . . . . . . . . A . 11 ARG NH1 . . . . . . . . . rr_2mce 1
. 1 . 161 . 1 1 11 ARG NH2 N -0.766 8.328 3.329 . . . 1.0 . . . . . . . . . . . . A . 11 ARG NH2 . . . . . . . . . rr_2mce 1
. 1 . 162 . 1 1 11 ARG O O 2.393 0.115 1.995 . . . 1.0 . . . . . . . . . . . . A . 11 ARG O . . . . . . . . . rr_2mce 1
. 1 . 163 . 1 1 12 HIS C C 2.157 -1.849 -0.699 . . . 1.0 . . . . . . . . . . . . A . 12 HIS C . . . . . . . . . rr_2mce 1
. 1 . 164 . 1 1 12 HIS CA C 1.015 -1.590 0.286 . . . 1.0 . . . . . . . . . . . . A . 12 HIS CA . . . . . . . . . rr_2mce 1
. 1 . 165 . 1 1 12 HIS CB C -0.280 -2.302 -0.106 . . . 1.0 . . . . . . . . . . . . A . 12 HIS CB . . . . . . . . . rr_2mce 1
. 1 . 166 . 1 1 12 HIS CD2 C -2.153 -3.388 1.358 . . . 1.0 . . . . . . . . . . . . A . 12 HIS CD2 . . . . . . . . . rr_2mce 1
. 1 . 167 . 1 1 12 HIS CE1 C -2.459 -1.730 2.753 . . . 1.0 . . . . . . . . . . . . A . 12 HIS CE1 . . . . . . . . . rr_2mce 1
. 1 . 168 . 1 1 12 HIS CG C -1.297 -2.387 1.007 . . . 1.0 . . . . . . . . . . . . A . 12 HIS CG . . . . . . . . . rr_2mce 1
. 1 . 169 . 1 1 12 HIS H H 0.084 0.215 -0.176 . . . 1.0 . . . . . . . . . . . . A . 12 HIS H . . . . . . . . . rr_2mce 1
. 1 . 170 . 1 1 12 HIS HA H 1.308 -1.952 1.272 . . . 1.0 . . . . . . . . . . . . A . 12 HIS HA . . . . . . . . . rr_2mce 1
. 1 . 171 . 1 1 12 HIS HB2 H -0.727 -1.782 -0.953 . . . 1.0 . . . . . . . . . . . . A . 12 HIS HB2 . . . . . . . . . rr_2mce 1
. 1 . 172 . 1 1 12 HIS HB3 H -0.041 -3.311 -0.443 . . . 1.0 . . . . . . . . . . . . A . 12 HIS HB3 . . . . . . . . . rr_2mce 1
. 1 . 173 . 1 1 12 HIS HD1 H -1.037 -0.476 1.911 . . . 1.0 . . . . . . . . . . . . A . 12 HIS HD1 . . . . . . . . . rr_2mce 1
. 1 . 174 . 1 1 12 HIS HD2 H -2.246 -4.352 0.857 . . . 1.0 . . . . . . . . . . . . A . 12 HIS HD2 . . . . . . . . . rr_2mce 1
. 1 . 175 . 1 1 12 HIS HE1 H -2.852 -1.136 3.578 . . . 1.0 . . . . . . . . . . . . A . 12 HIS HE1 . . . . . . . . . rr_2mce 1
. 1 . 176 . 1 1 12 HIS N N 0.798 -0.159 0.415 . . . 1.0 . . . . . . . . . . . . A . 12 HIS N . . . . . . . . . rr_2mce 1
. 1 . 177 . 1 1 12 HIS ND1 N -1.513 -1.355 1.904 . . . 1.0 . . . . . . . . . . . . A . 12 HIS ND1 . . . . . . . . . rr_2mce 1
. 1 . 178 . 1 1 12 HIS NE2 N -2.854 -2.991 2.413 . . . 1.0 . . . . . . . . . . . . A . 12 HIS NE2 . . . . . . . . . rr_2mce 1
. 1 . 179 . 1 1 12 HIS O O 2.666 -2.966 -0.785 . . . 1.0 . . . . . . . . . . . . A . 12 HIS O . . . . . . . . . rr_2mce 1
. 1 . 180 . 1 1 13 LYS C C 4.941 -0.957 -1.664 . . . 1.0 . . . . . . . . . . . . A . 13 LYS C . . . . . . . . . rr_2mce 1
. 1 . 181 . 1 1 13 LYS CA C 3.597 -0.899 -2.393 . . . 1.0 . . . . . . . . . . . . A . 13 LYS CA . . . . . . . . . rr_2mce 1
. 1 . 182 . 1 1 13 LYS CB C 3.500 0.236 -3.415 . . . 1.0 . . . . . . . . . . . . A . 13 LYS CB . . . . . . . . . rr_2mce 1
. 1 . 183 . 1 1 13 LYS CD C 3.374 2.752 -3.523 . . . 1.0 . . . . . . . . . . . . A . 13 LYS CD . . . . . . . . . rr_2mce 1
. 1 . 184 . 1 1 13 LYS CE C 3.864 2.870 -4.968 . . . 1.0 . . . . . . . . . . . . A . 13 LYS CE . . . . . . . . . rr_2mce 1
. 1 . 185 . 1 1 13 LYS CG C 4.013 1.550 -2.824 . . . 1.0 . . . . . . . . . . . . A . 13 LYS CG . . . . . . . . . rr_2mce 1
. 1 . 186 . 1 1 13 LYS H H 2.106 0.106 -1.341 . . . 1.0 . . . . . . . . . . . . A . 13 LYS H . . . . . . . . . rr_2mce 1
. 1 . 187 . 1 1 13 LYS HA H 3.459 -1.834 -2.936 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HA . . . . . . . . . rr_2mce 1
. 1 . 188 . 1 1 13 LYS HB2 H 4.078 -0.018 -4.303 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HB2 . . . . . . . . . rr_2mce 1
. 1 . 189 . 1 1 13 LYS HB3 H 2.464 0.355 -3.733 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HB3 . . . . . . . . . rr_2mce 1
. 1 . 190 . 1 1 13 LYS HD2 H 2.289 2.650 -3.511 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HD2 . . . . . . . . . rr_2mce 1
. 1 . 191 . 1 1 13 LYS HD3 H 3.614 3.665 -2.978 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HD3 . . . . . . . . . rr_2mce 1
. 1 . 192 . 1 1 13 LYS HE2 H 4.511 2.027 -5.209 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HE2 . . . . . . . . . rr_2mce 1
. 1 . 193 . 1 1 13 LYS HE3 H 3.016 2.826 -5.651 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HE3 . . . . . . . . . rr_2mce 1
. 1 . 194 . 1 1 13 LYS HG2 H 3.791 1.585 -1.758 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HG2 . . . . . . . . . rr_2mce 1
. 1 . 195 . 1 1 13 LYS HG3 H 5.097 1.600 -2.926 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HG3 . . . . . . . . . rr_2mce 1
. 1 . 196 . 1 1 13 LYS HZ1 H 5.579 3.982 -5.376 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HZ1 . . . . . . . . . rr_2mce 1
. 1 . 197 . 1 1 13 LYS HZ3 H 4.570 4.727 -4.337 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HZ3 . . . . . . . . . rr_2mce 1
. 1 . 198 . 1 1 13 LYS N N 2.526 -0.799 -1.417 . . . 1.0 . . . . . . . . . . . . A . 13 LYS N . . . . . . . . . rr_2mce 1
. 1 . 199 . 1 1 13 LYS NZ N 4.600 4.139 -5.163 . . . 1.0 . . . . . . . . . . . . A . 13 LYS NZ . . . . . . . . . rr_2mce 1
. 1 . 200 . 1 1 13 LYS O O 5.923 -1.465 -2.204 . . . 1.0 . . . . . . . . . . . . A . 13 LYS O . . . . . . . . . rr_2mce 1
. 1 . 201 . 1 1 14 THR C C 6.435 -1.809 0.917 . . . 1.0 . . . . . . . . . . . . A . 14 THR C . . . . . . . . . rr_2mce 1
. 1 . 202 . 1 1 14 THR CA C 6.149 -0.413 0.359 . . . 1.0 . . . . . . . . . . . . A . 14 THR CA . . . . . . . . . rr_2mce 1
. 1 . 203 . 1 1 14 THR CB C 5.978 0.652 1.444 . . . 1.0 . . . . . . . . . . . . A . 14 THR CB . . . . . . . . . rr_2mce 1
. 1 . 204 . 1 1 14 THR CG2 C 5.651 2.030 0.866 . . . 1.0 . . . . . . . . . . . . A . 14 THR CG2 . . . . . . . . . rr_2mce 1
. 1 . 205 . 1 1 14 THR H H 4.139 -0.017 -0.018 . . . 1.0 . . . . . . . . . . . . A . 14 THR H . . . . . . . . . rr_2mce 1
. 1 . 206 . 1 1 14 THR HA H 6.989 -0.147 -0.282 . . . 1.0 . . . . . . . . . . . . A . 14 THR HA . . . . . . . . . rr_2mce 1
. 1 . 207 . 1 1 14 THR HB H 6.857 0.698 2.087 . . . 1.0 . . . . . . . . . . . . A . 14 THR HB . . . . . . . . . rr_2mce 1
. 1 . 208 . 1 1 14 THR HG1 H 4.456 1.023 2.689 . . . 1.0 . . . . . . . . . . . . A . 14 THR HG1 . . . . . . . . . rr_2mce 1
. 1 . 209 . 1 1 14 THR HG21 H 4.869 1.932 0.113 . . . 1.0 . . . . . . . . . . . . A . 14 THR HG21 . . . . . . . . . rr_2mce 1
. 1 . 210 . 1 1 14 THR HG22 H 5.307 2.687 1.665 . . . 1.0 . . . . . . . . . . . . A . 14 THR HG22 . . . . . . . . . rr_2mce 1
. 1 . 211 . 1 1 14 THR HG23 H 6.545 2.453 0.408 . . . 1.0 . . . . . . . . . . . . A . 14 THR HG23 . . . . . . . . . rr_2mce 1
. 1 . 212 . 1 1 14 THR N N 4.942 -0.428 -0.449 . . . 1.0 . . . . . . . . . . . . A . 14 THR N . . . . . . . . . rr_2mce 1
. 1 . 213 . 1 1 14 THR O O 7.578 -2.129 1.242 . . . 1.0 . . . . . . . . . . . . A . 14 THR O . . . . . . . . . rr_2mce 1
. 1 . 214 . 1 1 14 THR OG1 O 4.785 0.268 2.122 . . . 1.0 . . . . . . . . . . . . A . 14 THR OG1 . . . . . . . . . rr_2mce 1
. 1 . 215 . 1 1 15 ASP C C 6.145 -4.843 0.460 . . . 1.0 . . . . . . . . . . . . A . 15 ASP C . . . . . . . . . rr_2mce 1
. 1 . 216 . 1 1 15 ASP CA C 5.501 -3.955 1.526 . . . 1.0 . . . . . . . . . . . . A . 15 ASP CA . . . . . . . . . rr_2mce 1
. 1 . 217 . 1 1 15 ASP CB C 4.129 -4.542 1.864 . . . 1.0 . . . . . . . . . . . . A . 15 ASP CB . . . . . . . . . rr_2mce 1
. 1 . 218 . 1 1 15 ASP CG C 3.547 -4.094 3.206 . . . 1.0 . . . . . . . . . . . . A . 15 ASP CG . . . . . . . . . rr_2mce 1
. 1 . 219 . 1 1 15 ASP H H 4.452 -2.332 0.746 . . . 1.0 . . . . . . . . . . . . A . 15 ASP H . . . . . . . . . rr_2mce 1
. 1 . 220 . 1 1 15 ASP HA H 6.114 -3.867 2.422 . . . 1.0 . . . . . . . . . . . . A . 15 ASP HA . . . . . . . . . rr_2mce 1
. 1 . 221 . 1 1 15 ASP HB2 H 3.429 -4.272 1.073 . . . 1.0 . . . . . . . . . . . . A . 15 ASP HB2 . . . . . . . . . rr_2mce 1
. 1 . 222 . 1 1 15 ASP HB3 H 4.206 -5.630 1.864 . . . 1.0 . . . . . . . . . . . . A . 15 ASP HB3 . . . . . . . . . rr_2mce 1
. 1 . 223 . 1 1 15 ASP HD2 H 3.582 -5.752 4.098 . . . 1.0 . . . . . . . . . . . . A . 15 ASP HD2 . . . . . . . . . rr_2mce 1
. 1 . 224 . 1 1 15 ASP N N 5.378 -2.601 1.012 . . . 1.0 . . . . . . . . . . . . A . 15 ASP N . . . . . . . . . rr_2mce 1
. 1 . 225 . 1 1 15 ASP O O 6.803 -5.830 0.784 . . . 1.0 . . . . . . . . . . . . A . 15 ASP O . . . . . . . . . rr_2mce 1
. 1 . 226 . 1 1 15 ASP OD1 O 2.796 -3.109 3.279 . . . 1.0 . . . . . . . . . . . . A . 15 ASP OD1 . . . . . . . . . rr_2mce 1
. 1 . 227 . 1 1 15 ASP OD2 O 3.897 -4.811 4.219 . . . 1.0 . . . . . . . . . . . . A . 15 ASP OD2 . . . . . . . . . rr_2mce 1
. 1 . 228 . 1 1 16 SER C C 7.988 -4.940 -2.026 . . . 1.0 . . . . . . . . . . . . A . 16 SER C . . . . . . . . . rr_2mce 1
. 1 . 229 . 1 1 16 SER CA C 6.487 -5.210 -1.906 . . . 1.0 . . . . . . . . . . . . A . 16 SER CA . . . . . . . . . rr_2mce 1
. 1 . 230 . 1 1 16 SER CB C 5.778 -4.853 -3.215 . . . 1.0 . . . . . . . . . . . . A . 16 SER CB . . . . . . . . . rr_2mce 1
. 1 . 231 . 1 1 16 SER H H 5.398 -3.656 -1.047 . . . 1.0 . . . . . . . . . . . . A . 16 SER H . . . . . . . . . rr_2mce 1
. 1 . 232 . 1 1 16 SER HA H 6.304 -6.258 -1.669 . . . 1.0 . . . . . . . . . . . . A . 16 SER HA . . . . . . . . . rr_2mce 1
. 1 . 233 . 1 1 16 SER HB2 H 4.781 -4.470 -2.994 . . . 1.0 . . . . . . . . . . . . A . 16 SER HB2 . . . . . . . . . rr_2mce 1
. 1 . 234 . 1 1 16 SER HB3 H 6.323 -4.053 -3.716 . . . 1.0 . . . . . . . . . . . . A . 16 SER HB3 . . . . . . . . . rr_2mce 1
. 1 . 235 . 1 1 16 SER HG H 5.457 -6.798 -3.562 . . . 1.0 . . . . . . . . . . . . A . 16 SER HG . . . . . . . . . rr_2mce 1
. 1 . 236 . 1 1 16 SER N N 5.934 -4.460 -0.791 . . . 1.0 . . . . . . . . . . . . A . 16 SER N . . . . . . . . . rr_2mce 1
. 1 . 237 . 1 1 16 SER O O 8.722 -5.740 -2.604 . . . 1.0 . . . . . . . . . . . . A . 16 SER O . . . . . . . . . rr_2mce 1
. 1 . 238 . 1 1 16 SER OG O 5.672 -5.974 -4.088 . . . 1.0 . . . . . . . . . . . . A . 16 SER OG . . . . . . . . . rr_2mce 1
. 1 . 239 . 1 1 17 PHE C C 10.623 -4.252 -0.515 . . . 1.0 . . . . . . . . . . . . A . 17 PHE C . . . . . . . . . rr_2mce 1
. 1 . 240 . 1 1 17 PHE CA C 9.800 -3.425 -1.506 . . . 1.0 . . . . . . . . . . . . A . 17 PHE CA . . . . . . . . . rr_2mce 1
. 1 . 241 . 1 1 17 PHE CB C 9.870 -1.951 -1.103 . . . 1.0 . . . . . . . . . . . . A . 17 PHE CB . . . . . . . . . rr_2mce 1
. 1 . 242 . 1 1 17 PHE CD1 C 11.095 -0.898 -3.016 . . . 1.0 . . . . . . . . . . . . A . 17 PHE CD1 . . . . . . . . . rr_2mce 1
. 1 . 243 . 1 1 17 PHE CD2 C 8.878 -0.214 -2.609 . . . 1.0 . . . . . . . . . . . . A . 17 PHE CD2 . . . . . . . . . rr_2mce 1
. 1 . 244 . 1 1 17 PHE CE1 C 11.170 -0.001 -4.115 . . . 1.0 . . . . . . . . . . . . A . 17 PHE CE1 . . . . . . . . . rr_2mce 1
. 1 . 245 . 1 1 17 PHE CE2 C 8.952 0.682 -3.708 . . . 1.0 . . . . . . . . . . . . A . 17 PHE CE2 . . . . . . . . . rr_2mce 1
. 1 . 246 . 1 1 17 PHE CG C 9.950 -0.985 -2.286 . . . 1.0 . . . . . . . . . . . . A . 17 PHE CG . . . . . . . . . rr_2mce 1
. 1 . 247 . 1 1 17 PHE CZ C 10.097 0.770 -4.437 . . . 1.0 . . . . . . . . . . . . A . 17 PHE CZ . . . . . . . . . rr_2mce 1
. 1 . 248 . 1 1 17 PHE H H 7.796 -3.165 -1.000 . . . 1.0 . . . . . . . . . . . . A . 17 PHE H . . . . . . . . . rr_2mce 1
. 1 . 249 . 1 1 17 PHE HA H 10.161 -3.611 -2.518 . . . 1.0 . . . . . . . . . . . . A . 17 PHE HA . . . . . . . . . rr_2mce 1
. 1 . 250 . 1 1 17 PHE HB2 H 8.991 -1.706 -0.506 . . . 1.0 . . . . . . . . . . . . A . 17 PHE HB2 . . . . . . . . . rr_2mce 1
. 1 . 251 . 1 1 17 PHE HB3 H 10.740 -1.800 -0.464 . . . 1.0 . . . . . . . . . . . . A . 17 PHE HB3 . . . . . . . . . rr_2mce 1
. 1 . 252 . 1 1 17 PHE HD1 H 11.955 -1.516 -2.757 . . . 1.0 . . . . . . . . . . . . A . 17 PHE HD1 . . . . . . . . . rr_2mce 1
. 1 . 253 . 1 1 17 PHE HD2 H 7.960 -0.284 -2.025 . . . 1.0 . . . . . . . . . . . . A . 17 PHE HD2 . . . . . . . . . rr_2mce 1
. 1 . 254 . 1 1 17 PHE HE1 H 12.087 0.069 -4.699 . . . 1.0 . . . . . . . . . . . . A . 17 PHE HE1 . . . . . . . . . rr_2mce 1
. 1 . 255 . 1 1 17 PHE HE2 H 8.093 1.300 -3.967 . . . 1.0 . . . . . . . . . . . . A . 17 PHE HE2 . . . . . . . . . rr_2mce 1
. 1 . 256 . 1 1 17 PHE HZ H 10.154 1.458 -5.281 . . . 1.0 . . . . . . . . . . . . A . 17 PHE HZ . . . . . . . . . rr_2mce 1
. 1 . 257 . 1 1 17 PHE N N 8.400 -3.811 -1.469 . . . 1.0 . . . . . . . . . . . . A . 17 PHE N . . . . . . . . . rr_2mce 1
. 1 . 258 . 1 1 17 PHE O O 11.835 -4.388 -0.671 . . . 1.0 . . . . . . . . . . . . A . 17 PHE O . . . . . . . . . rr_2mce 1
. 1 . 259 . 1 1 18 VAL C C 11.046 -6.909 0.874 . . . 1.0 . . . . . . . . . . . . A . 18 VAL C . . . . . . . . . rr_2mce 1
. 1 . 260 . 1 1 18 VAL CA C 10.580 -5.592 1.498 . . . 1.0 . . . . . . . . . . . . A . 18 VAL CA . . . . . . . . . rr_2mce 1
. 1 . 261 . 1 1 18 VAL CB C 9.640 -5.794 2.688 . . . 1.0 . . . . . . . . . . . . A . 18 VAL CB . . . . . . . . . rr_2mce 1
. 1 . 262 . 1 1 18 VAL CG1 C 10.350 -6.521 3.831 . . . 1.0 . . . . . . . . . . . . A . 18 VAL CG1 . . . . . . . . . rr_2mce 1
. 1 . 263 . 1 1 18 VAL CG2 C 9.062 -4.459 3.163 . . . 1.0 . . . . . . . . . . . . A . 18 VAL CG2 . . . . . . . . . rr_2mce 1
. 1 . 264 . 1 1 18 VAL H H 8.944 -4.667 0.601 . . . 1.0 . . . . . . . . . . . . A . 18 VAL H . . . . . . . . . rr_2mce 1
. 1 . 265 . 1 1 18 VAL HA H 11.454 -5.041 1.848 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HA . . . . . . . . . rr_2mce 1
. 1 . 266 . 1 1 18 VAL HB H 8.810 -6.419 2.358 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HB . . . . . . . . . rr_2mce 1
. 1 . 267 . 1 1 18 VAL HG11 H 10.548 -7.552 3.539 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HG11 . . . . . . . . . rr_2mce 1
. 1 . 268 . 1 1 18 VAL HG12 H 11.292 -6.019 4.052 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HG12 . . . . . . . . . rr_2mce 1
. 1 . 269 . 1 1 18 VAL HG13 H 9.717 -6.510 4.718 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HG13 . . . . . . . . . rr_2mce 1
. 1 . 270 . 1 1 18 VAL HG21 H 8.009 -4.587 3.414 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HG21 . . . . . . . . . rr_2mce 1
. 1 . 271 . 1 1 18 VAL HG22 H 9.607 -4.120 4.043 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HG22 . . . . . . . . . rr_2mce 1
. 1 . 272 . 1 1 18 VAL HG23 H 9.158 -3.719 2.368 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HG23 . . . . . . . . . rr_2mce 1
. 1 . 273 . 1 1 18 VAL N N 9.930 -4.782 0.482 . . . 1.0 . . . . . . . . . . . . A . 18 VAL N . . . . . . . . . rr_2mce 1
. 1 . 274 . 1 1 18 VAL O O 12.048 -7.482 1.299 . . . 1.0 . . . . . . . . . . . . A . 18 VAL O . . . . . . . . . rr_2mce 1
. 1 . 275 . 1 1 19 GLY C C 11.655 -8.353 -1.912 . . . 1.0 . . . . . . . . . . . . A . 19 GLY C . . . . . . . . . rr_2mce 1
. 1 . 276 . 1 1 19 GLY CA C 10.619 -8.590 -0.812 . . . 1.0 . . . . . . . . . . . . A . 19 GLY CA . . . . . . . . . rr_2mce 1
. 1 . 277 . 1 1 19 GLY H H 9.482 -6.879 -0.464 . . . 1.0 . . . . . . . . . . . . A . 19 GLY H . . . . . . . . . rr_2mce 1
. 1 . 278 . 1 1 19 GLY HA2 H 11.002 -9.317 -0.096 . . . 1.0 . . . . . . . . . . . . A . 19 GLY HA2 . . . . . . . . . rr_2mce 1
. 1 . 279 . 1 1 19 GLY HA3 H 9.714 -9.016 -1.245 . . . 1.0 . . . . . . . . . . . . A . 19 GLY HA3 . . . . . . . . . rr_2mce 1
. 1 . 280 . 1 1 19 GLY N N 10.296 -7.351 -0.125 . . . 1.0 . . . . . . . . . . . . A . 19 GLY N . . . . . . . . . rr_2mce 1
. 1 . 281 . 1 1 19 GLY O O 12.071 -9.291 -2.590 . . . 1.0 . . . . . . . . . . . . A . 19 GLY O . . . . . . . . . rr_2mce 1
. 1 . 282 . 1 1 20 LEU C C 14.426 -6.810 -2.456 . . . 1.0 . . . . . . . . . . . . A . 20 LEU C . . . . . . . . . rr_2mce 1
. 1 . 283 . 1 1 20 LEU CA C 13.023 -6.721 -3.060 . . . 1.0 . . . . . . . . . . . . A . 20 LEU CA . . . . . . . . . rr_2mce 1
. 1 . 284 . 1 1 20 LEU CB C 12.692 -5.348 -3.648 . . . 1.0 . . . . . . . . . . . . A . 20 LEU CB . . . . . . . . . rr_2mce 1
. 1 . 285 . 1 1 20 LEU CD1 C 13.697 -5.765 -5.923 . . . 1.0 . . . . . . . . . . . . A . 20 LEU CD1 . . . . . . . . . rr_2mce 1
. 1 . 286 . 1 1 20 LEU CD2 C 11.214 -6.115 -5.542 . . . 1.0 . . . . . . . . . . . . A . 20 LEU CD2 . . . . . . . . . rr_2mce 1
. 1 . 287 . 1 1 20 LEU CG C 12.454 -5.305 -5.159 . . . 1.0 . . . . . . . . . . . . A . 20 LEU CG . . . . . . . . . rr_2mce 1
. 1 . 288 . 1 1 20 LEU H H 11.699 -6.337 -1.498 . . . 1.0 . . . . . . . . . . . . A . 20 LEU H . . . . . . . . . rr_2mce 1
. 1 . 289 . 1 1 20 LEU HA H 12.949 -7.446 -3.871 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HA . . . . . . . . . rr_2mce 1
. 1 . 290 . 1 1 20 LEU HB2 H 11.801 -4.966 -3.149 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HB2 . . . . . . . . . rr_2mce 1
. 1 . 291 . 1 1 20 LEU HB3 H 13.508 -4.667 -3.409 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HB3 . . . . . . . . . rr_2mce 1
. 1 . 292 . 1 1 20 LEU HD11 H 14.560 -5.182 -5.597 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HD11 . . . . . . . . . rr_2mce 1
. 1 . 293 . 1 1 20 LEU HD12 H 13.876 -6.821 -5.724 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HD12 . . . . . . . . . rr_2mce 1
. 1 . 294 . 1 1 20 LEU HD13 H 13.542 -5.618 -6.992 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HD13 . . . . . . . . . rr_2mce 1
. 1 . 295 . 1 1 20 LEU HD21 H 10.992 -5.961 -6.598 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HD21 . . . . . . . . . rr_2mce 1
. 1 . 296 . 1 1 20 LEU HD22 H 11.401 -7.173 -5.360 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HD22 . . . . . . . . . rr_2mce 1
. 1 . 297 . 1 1 20 LEU HD23 H 10.366 -5.787 -4.941 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HD23 . . . . . . . . . rr_2mce 1
. 1 . 298 . 1 1 20 LEU HG H 12.264 -4.271 -5.445 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HG . . . . . . . . . rr_2mce 1
. 1 . 299 . 1 1 20 LEU N N 12.043 -7.094 -2.054 . . . 1.0 . . . . . . . . . . . . A . 20 LEU N . . . . . . . . . rr_2mce 1
. 1 . 300 . 1 1 20 LEU O O 15.408 -6.964 -3.180 . . . 1.0 . . . . . . . . . . . . A . 20 LEU O . . . . . . . . . rr_2mce 1
. 1 . 301 . 1 1 21 MET C C 16.276 -8.209 -0.393 . . . 1.0 . . . . . . . . . . . . A . 21 MET C . . . . . . . . . rr_2mce 1
. 1 . 302 . 1 1 21 MET CA C 15.741 -6.776 -0.427 . . . 1.0 . . . . . . . . . . . . A . 21 MET CA . . . . . . . . . rr_2mce 1
. 1 . 303 . 1 1 21 MET CB C 15.553 -6.267 1.004 . . . 1.0 . . . . . . . . . . . . A . 21 MET CB . . . . . . . . . rr_2mce 1
. 1 . 304 . 1 1 21 MET CE C 18.178 -4.069 1.977 . . . 1.0 . . . . . . . . . . . . A . 21 MET CE . . . . . . . . . rr_2mce 1
. 1 . 305 . 1 1 21 MET CG C 15.689 -4.744 1.067 . . . 1.0 . . . . . . . . . . . . A . 21 MET CG . . . . . . . . . rr_2mce 1
. 1 . 306 . 1 1 21 MET H H 13.671 -6.583 -0.554 . . . 1.0 . . . . . . . . . . . . A . 21 MET H . . . . . . . . . rr_2mce 1
. 1 . 307 . 1 1 21 MET HA H 16.425 -6.138 -0.988 . . . 1.0 . . . . . . . . . . . . A . 21 MET HA . . . . . . . . . rr_2mce 1
. 1 . 308 . 1 1 21 MET HB2 H 14.571 -6.563 1.373 . . . 1.0 . . . . . . . . . . . . A . 21 MET HB2 . . . . . . . . . rr_2mce 1
. 1 . 309 . 1 1 21 MET HB3 H 16.292 -6.729 1.659 . . . 1.0 . . . . . . . . . . . . A . 21 MET HB3 . . . . . . . . . rr_2mce 1
. 1 . 310 . 1 1 21 MET HE1 H 18.733 -4.993 2.137 . . . 1.0 . . . . . . . . . . . . A . 21 MET HE1 . . . . . . . . . rr_2mce 1
. 1 . 311 . 1 1 21 MET HE2 H 18.155 -3.839 0.911 . . . 1.0 . . . . . . . . . . . . A . 21 MET HE2 . . . . . . . . . rr_2mce 1
. 1 . 312 . 1 1 21 MET HE3 H 18.664 -3.254 2.514 . . . 1.0 . . . . . . . . . . . . A . 21 MET HE3 . . . . . . . . . rr_2mce 1
. 1 . 313 . 1 1 21 MET HG2 H 16.255 -4.386 0.207 . . . 1.0 . . . . . . . . . . . . A . 21 MET HG2 . . . . . . . . . rr_2mce 1
. 1 . 314 . 1 1 21 MET HG3 H 14.704 -4.280 1.015 . . . 1.0 . . . . . . . . . . . . A . 21 MET HG3 . . . . . . . . . rr_2mce 1
. 1 . 315 . 1 1 21 MET N N 14.475 -6.709 -1.136 . . . 1.0 . . . . . . . . . . . . A . 21 MET N . . . . . . . . . rr_2mce 1
. 1 . 316 . 1 1 21 MET O O 16.586 -8.784 -1.434 . . . 1.0 . . . . . . . . . . . . A . 21 MET O . . . . . . . . . rr_2mce 1
. 1 . 317 . 1 1 21 MET SD S 16.509 -4.266 2.578 . . . 1.0 . . . . . . . . . . . . A . 21 MET SD . . . . . . . . . rr_2mce 1
. 2 . 318 . 1 1 1 ASP C C -14.861 8.493 1.133 . . . 1.0 . . . . . . . . . . . . A . 1 ASP C . . . . . . . . . rr_2mce 1
. 2 . 319 . 1 1 1 ASP CA C -15.093 9.728 0.259 . . . 1.0 . . . . . . . . . . . . A . 1 ASP CA . . . . . . . . . rr_2mce 1
. 2 . 320 . 1 1 1 ASP CB C -14.076 9.697 -0.884 . . . 1.0 . . . . . . . . . . . . A . 1 ASP CB . . . . . . . . . rr_2mce 1
. 2 . 321 . 1 1 1 ASP CG C -12.837 10.567 -0.670 . . . 1.0 . . . . . . . . . . . . A . 1 ASP CG . . . . . . . . . rr_2mce 1
. 2 . 322 . 1 1 1 ASP H1 H -13.990 11.161 1.292 . . . 1.0 . . . . . . . . . . . . A . 1 ASP H1 . . . . . . . . . rr_2mce 1
. 2 . 323 . 1 1 1 ASP HA H -16.110 9.778 -0.131 . . . 1.0 . . . . . . . . . . . . A . 1 ASP HA . . . . . . . . . rr_2mce 1
. 2 . 324 . 1 1 1 ASP HB2 H -13.756 8.666 -1.036 . . . 1.0 . . . . . . . . . . . . A . 1 ASP HB2 . . . . . . . . . rr_2mce 1
. 2 . 325 . 1 1 1 ASP HB3 H -14.573 10.015 -1.800 . . . 1.0 . . . . . . . . . . . . A . 1 ASP HB3 . . . . . . . . . rr_2mce 1
. 2 . 326 . 1 1 1 ASP HD2 H -11.791 9.635 -1.928 . . . 1.0 . . . . . . . . . . . . A . 1 ASP HD2 . . . . . . . . . rr_2mce 1
. 2 . 327 . 1 1 1 ASP N N -14.935 10.924 1.068 . . . 1.0 . . . . . . . . . . . . A . 1 ASP N . . . . . . . . . rr_2mce 1
. 2 . 328 . 1 1 1 ASP O O -13.924 8.459 1.929 . . . 1.0 . . . . . . . . . . . . A . 1 ASP O . . . . . . . . . rr_2mce 1
. 2 . 329 . 1 1 1 ASP OD1 O -12.933 11.713 -0.205 . . . 1.0 . . . . . . . . . . . . A . 1 ASP OD1 . . . . . . . . . rr_2mce 1
. 2 . 330 . 1 1 1 ASP OD2 O -11.719 10.018 -1.006 . . . 1.0 . . . . . . . . . . . . A . 1 ASP OD2 . . . . . . . . . rr_2mce 1
. 2 . 331 . 1 1 2 ALA C C -14.446 5.457 1.200 . . . 1.0 . . . . . . . . . . . . A . 2 ALA C . . . . . . . . . rr_2mce 1
. 2 . 332 . 1 1 2 ALA CA C -15.632 6.276 1.715 . . . 1.0 . . . . . . . . . . . . A . 2 ALA CA . . . . . . . . . rr_2mce 1
. 2 . 333 . 1 1 2 ALA CB C -16.954 5.511 1.621 . . . 1.0 . . . . . . . . . . . . A . 2 ALA CB . . . . . . . . . rr_2mce 1
. 2 . 334 . 1 1 2 ALA H H -16.490 7.545 0.303 . . . 1.0 . . . . . . . . . . . . A . 2 ALA H . . . . . . . . . rr_2mce 1
. 2 . 335 . 1 1 2 ALA HA H -15.454 6.542 2.756 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HA . . . . . . . . . rr_2mce 1
. 2 . 336 . 1 1 2 ALA HB1 H -17.501 5.838 0.737 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HB1 . . . . . . . . . rr_2mce 1
. 2 . 337 . 1 1 2 ALA HB2 H -16.751 4.443 1.548 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HB2 . . . . . . . . . rr_2mce 1
. 2 . 338 . 1 1 2 ALA HB3 H -17.550 5.707 2.512 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HB3 . . . . . . . . . rr_2mce 1
. 2 . 339 . 1 1 2 ALA N N -15.730 7.509 0.953 . . . 1.0 . . . . . . . . . . . . A . 2 ALA N . . . . . . . . . rr_2mce 1
. 2 . 340 . 1 1 2 ALA O O -13.746 4.813 1.980 . . . 1.0 . . . . . . . . . . . . A . 2 ALA O . . . . . . . . . rr_2mce 1
. 2 . 341 . 1 1 3 GLY C C -11.824 5.450 -0.454 . . . 1.0 . . . . . . . . . . . . A . 3 GLY C . . . . . . . . . rr_2mce 1
. 2 . 342 . 1 1 3 GLY CA C -13.169 4.779 -0.738 . . . 1.0 . . . . . . . . . . . . A . 3 GLY CA . . . . . . . . . rr_2mce 1
. 2 . 343 . 1 1 3 GLY H H -14.831 6.034 -0.737 . . . 1.0 . . . . . . . . . . . . A . 3 GLY H . . . . . . . . . rr_2mce 1
. 2 . 344 . 1 1 3 GLY HA2 H -13.153 3.753 -0.369 . . . 1.0 . . . . . . . . . . . . A . 3 GLY HA2 . . . . . . . . . rr_2mce 1
. 2 . 345 . 1 1 3 GLY HA3 H -13.335 4.728 -1.814 . . . 1.0 . . . . . . . . . . . . A . 3 GLY HA3 . . . . . . . . . rr_2mce 1
. 2 . 346 . 1 1 3 GLY N N -14.258 5.508 -0.111 . . . 1.0 . . . . . . . . . . . . A . 3 GLY N . . . . . . . . . rr_2mce 1
. 2 . 347 . 1 1 3 GLY O O -10.781 4.970 -0.897 . . . 1.0 . . . . . . . . . . . . A . 3 GLY O . . . . . . . . . rr_2mce 1
. 2 . 348 . 1 1 4 HIS C C -9.800 6.432 1.529 . . . 1.0 . . . . . . . . . . . . A . 4 HIS C . . . . . . . . . rr_2mce 1
. 2 . 349 . 1 1 4 HIS CA C -10.691 7.291 0.631 . . . 1.0 . . . . . . . . . . . . A . 4 HIS CA . . . . . . . . . rr_2mce 1
. 2 . 350 . 1 1 4 HIS CB C -11.049 8.638 1.263 . . . 1.0 . . . . . . . . . . . . A . 4 HIS CB . . . . . . . . . rr_2mce 1
. 2 . 351 . 1 1 4 HIS CD2 C -8.804 9.686 0.431 . . . 1.0 . . . . . . . . . . . . A . 4 HIS CD2 . . . . . . . . . rr_2mce 1
. 2 . 352 . 1 1 4 HIS CE1 C -9.253 11.780 0.882 . . . 1.0 . . . . . . . . . . . . A . 4 HIS CE1 . . . . . . . . . rr_2mce 1
. 2 . 353 . 1 1 4 HIS CG C -10.056 9.736 0.973 . . . 1.0 . . . . . . . . . . . . A . 4 HIS CG . . . . . . . . . rr_2mce 1
. 2 . 354 . 1 1 4 HIS H H -12.743 6.933 0.638 . . . 1.0 . . . . . . . . . . . . A . 4 HIS H . . . . . . . . . rr_2mce 1
. 2 . 355 . 1 1 4 HIS HA H -10.165 7.493 -0.303 . . . 1.0 . . . . . . . . . . . . A . 4 HIS HA . . . . . . . . . rr_2mce 1
. 2 . 356 . 1 1 4 HIS HB2 H -12.031 8.946 0.906 . . . 1.0 . . . . . . . . . . . . A . 4 HIS HB2 . . . . . . . . . rr_2mce 1
. 2 . 357 . 1 1 4 HIS HB3 H -11.129 8.510 2.343 . . . 1.0 . . . . . . . . . . . . A . 4 HIS HB3 . . . . . . . . . rr_2mce 1
. 2 . 358 . 1 1 4 HIS HD1 H -11.148 11.432 1.653 . . . 1.0 . . . . . . . . . . . . A . 4 HIS HD1 . . . . . . . . . rr_2mce 1
. 2 . 359 . 1 1 4 HIS HD2 H -8.290 8.784 0.099 . . . 1.0 . . . . . . . . . . . . A . 4 HIS HD2 . . . . . . . . . rr_2mce 1
. 2 . 360 . 1 1 4 HIS HE1 H -9.146 12.861 0.970 . . . 1.0 . . . . . . . . . . . . A . 4 HIS HE1 . . . . . . . . . rr_2mce 1
. 2 . 361 . 1 1 4 HIS N N -11.891 6.549 0.282 . . . 1.0 . . . . . . . . . . . . A . 4 HIS N . . . . . . . . . rr_2mce 1
. 2 . 362 . 1 1 4 HIS ND1 N -10.309 11.068 1.247 . . . 1.0 . . . . . . . . . . . . A . 4 HIS ND1 . . . . . . . . . rr_2mce 1
. 2 . 363 . 1 1 4 HIS NE2 N -8.322 10.922 0.375 . . . 1.0 . . . . . . . . . . . . A . 4 HIS NE2 . . . . . . . . . rr_2mce 1
. 2 . 364 . 1 1 4 HIS O O -8.632 6.754 1.741 . . . 1.0 . . . . . . . . . . . . A . 4 HIS O . . . . . . . . . rr_2mce 1
. 2 . 365 . 1 1 5 GLY C C -8.867 3.421 2.090 . . . 1.0 . . . . . . . . . . . . A . 5 GLY C . . . . . . . . . rr_2mce 1
. 2 . 366 . 1 1 5 GLY CA C -9.658 4.447 2.904 . . . 1.0 . . . . . . . . . . . . A . 5 GLY CA . . . . . . . . . rr_2mce 1
. 2 . 367 . 1 1 5 GLY H H -11.335 5.100 1.856 . . . 1.0 . . . . . . . . . . . . A . 5 GLY H . . . . . . . . . rr_2mce 1
. 2 . 368 . 1 1 5 GLY HA2 H -8.977 5.014 3.540 . . . 1.0 . . . . . . . . . . . . A . 5 GLY HA2 . . . . . . . . . rr_2mce 1
. 2 . 369 . 1 1 5 GLY HA3 H -10.356 3.933 3.564 . . . 1.0 . . . . . . . . . . . . A . 5 GLY HA3 . . . . . . . . . rr_2mce 1
. 2 . 370 . 1 1 5 GLY N N -10.384 5.355 2.033 . . . 1.0 . . . . . . . . . . . . A . 5 GLY N . . . . . . . . . rr_2mce 1
. 2 . 371 . 1 1 5 GLY O O -7.988 2.745 2.621 . . . 1.0 . . . . . . . . . . . . A . 5 GLY O . . . . . . . . . rr_2mce 1
. 2 . 372 . 1 1 6 GLN C C -7.064 2.771 -0.224 . . . 1.0 . . . . . . . . . . . . A . 6 GLN C . . . . . . . . . rr_2mce 1
. 2 . 373 . 1 1 6 GLN CA C -8.542 2.405 -0.081 . . . 1.0 . . . . . . . . . . . . A . 6 GLN CA . . . . . . . . . rr_2mce 1
. 2 . 374 . 1 1 6 GLN CB C -9.231 2.366 -1.446 . . . 1.0 . . . . . . . . . . . . A . 6 GLN CB . . . . . . . . . rr_2mce 1
. 2 . 375 . 1 1 6 GLN CD C -10.471 0.217 -0.988 . . . 1.0 . . . . . . . . . . . . A . 6 GLN CD . . . . . . . . . rr_2mce 1
. 2 . 376 . 1 1 6 GLN CG C -9.466 0.923 -1.900 . . . 1.0 . . . . . . . . . . . . A . 6 GLN CG . . . . . . . . . rr_2mce 1
. 2 . 377 . 1 1 6 GLN H H -9.925 3.891 0.388 . . . 1.0 . . . . . . . . . . . . A . 6 GLN H . . . . . . . . . rr_2mce 1
. 2 . 378 . 1 1 6 GLN HA H -8.637 1.429 0.396 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HA . . . . . . . . . rr_2mce 1
. 2 . 379 . 1 1 6 GLN HB2 H -10.184 2.893 -1.392 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HB2 . . . . . . . . . rr_2mce 1
. 2 . 380 . 1 1 6 GLN HB3 H -8.619 2.888 -2.182 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HB3 . . . . . . . . . rr_2mce 1
. 2 . 381 . 1 1 6 GLN HE21 H -8.957 -0.933 -0.290 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HE21 . . . . . . . . . rr_2mce 1
. 2 . 382 . 1 1 6 GLN HE22 H -10.513 -1.255 0.401 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HE22 . . . . . . . . . rr_2mce 1
. 2 . 383 . 1 1 6 GLN HG2 H -9.834 0.917 -2.927 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HG2 . . . . . . . . . rr_2mce 1
. 2 . 384 . 1 1 6 GLN HG3 H -8.521 0.379 -1.897 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HG3 . . . . . . . . . rr_2mce 1
. 2 . 385 . 1 1 6 GLN N N -9.208 3.337 0.813 . . . 1.0 . . . . . . . . . . . . A . 6 GLN N . . . . . . . . . rr_2mce 1
. 2 . 386 . 1 1 6 GLN NE2 N -9.936 -0.736 -0.229 . . . 1.0 . . . . . . . . . . . . A . 6 GLN NE2 . . . . . . . . . rr_2mce 1
. 2 . 387 . 1 1 6 GLN O O -6.256 1.952 -0.661 . . . 1.0 . . . . . . . . . . . . A . 6 GLN O . . . . . . . . . rr_2mce 1
. 2 . 388 . 1 1 6 GLN OE1 O -11.653 0.518 -0.973 . . . 1.0 . . . . . . . . . . . . A . 6 GLN OE1 . . . . . . . . . rr_2mce 1
. 2 . 389 . 1 1 7 ILE C C -4.518 3.722 1.072 . . . 1.0 . . . . . . . . . . . . A . 7 ILE C . . . . . . . . . rr_2mce 1
. 2 . 390 . 1 1 7 ILE CA C -5.386 4.489 0.072 . . . 1.0 . . . . . . . . . . . . A . 7 ILE CA . . . . . . . . . rr_2mce 1
. 2 . 391 . 1 1 7 ILE CB C -5.344 6.007 0.258 . . . 1.0 . . . . . . . . . . . . A . 7 ILE CB . . . . . . . . . rr_2mce 1
. 2 . 392 . 1 1 7 ILE CD1 C -4.502 7.708 -1.401 . . . 1.0 . . . . . . . . . . . . A . 7 ILE CD1 . . . . . . . . . rr_2mce 1
. 2 . 393 . 1 1 7 ILE CG1 C -4.108 6.608 -0.413 . . . 1.0 . . . . . . . . . . . . A . 7 ILE CG1 . . . . . . . . . rr_2mce 1
. 2 . 394 . 1 1 7 ILE CG2 C -5.430 6.380 1.740 . . . 1.0 . . . . . . . . . . . . A . 7 ILE CG2 . . . . . . . . . rr_2mce 1
. 2 . 395 . 1 1 7 ILE H H -7.416 4.663 0.508 . . . 1.0 . . . . . . . . . . . . A . 7 ILE H . . . . . . . . . rr_2mce 1
. 2 . 396 . 1 1 7 ILE HA H -5.023 4.278 -0.933 . . . 1.0 . . . . . . . . . . . . A . 7 ILE HA . . . . . . . . . rr_2mce 1
. 2 . 397 . 1 1 7 ILE HB H -6.218 6.435 -0.232 . . . 1.0 . . . . . . . . . . . . A . 7 ILE HB . . . . . . . . . rr_2mce 1
. 2 . 398 . 1 1 7 ILE HD11 H -5.274 8.336 -0.957 . . . 1.0 . . . . . . . . . . . . A . 7 ILE HD11 . . . . . . . . . rr_2mce 1
. 2 . 399 . 1 1 7 ILE HD12 H -3.628 8.317 -1.634 . . . 1.0 . . . . . . . . . . . . A . 7 ILE HD12 . . . . . . . . . rr_2mce 1
. 2 . 400 . 1 1 7 ILE HD13 H -4.884 7.256 -2.316 . . . 1.0 . . . . . . . . . . . . A . 7 ILE HD13 . . . . . . . . . rr_2mce 1
. 2 . 401 . 1 1 7 ILE HG12 H -3.441 7.017 0.345 . . . 1.0 . . . . . . . . . . . . A . 7 ILE HG12 . . . . . . . . . rr_2mce 1
. 2 . 402 . 1 1 7 ILE HG13 H -3.557 5.826 -0.935 . . . 1.0 . . . . . . . . . . . . A . 7 ILE HG13 . . . . . . . . . rr_2mce 1
. 2 . 403 . 1 1 7 ILE HG21 H -4.427 6.561 2.128 . . . 1.0 . . . . . . . . . . . . A . 7 ILE HG21 . . . . . . . . . rr_2mce 1
. 2 . 404 . 1 1 7 ILE HG22 H -6.032 7.281 1.853 . . . 1.0 . . . . . . . . . . . . A . 7 ILE HG22 . . . . . . . . . rr_2mce 1
. 2 . 405 . 1 1 7 ILE HG23 H -5.891 5.563 2.294 . . . 1.0 . . . . . . . . . . . . A . 7 ILE HG23 . . . . . . . . . rr_2mce 1
. 2 . 406 . 1 1 7 ILE N N -6.754 4.004 0.153 . . . 1.0 . . . . . . . . . . . . A . 7 ILE N . . . . . . . . . rr_2mce 1
. 2 . 407 . 1 1 7 ILE O O -3.292 3.735 0.972 . . . 1.0 . . . . . . . . . . . . A . 7 ILE O . . . . . . . . . rr_2mce 1
. 2 . 408 . 1 1 8 SER C C -3.923 1.021 2.417 . . . 1.0 . . . . . . . . . . . . A . 8 SER C . . . . . . . . . rr_2mce 1
. 2 . 409 . 1 1 8 SER CA C -4.492 2.302 3.030 . . . 1.0 . . . . . . . . . . . . A . 8 SER CA . . . . . . . . . rr_2mce 1
. 2 . 410 . 1 1 8 SER CB C -5.421 1.966 4.197 . . . 1.0 . . . . . . . . . . . . A . 8 SER CB . . . . . . . . . rr_2mce 1
. 2 . 411 . 1 1 8 SER H H -6.185 3.068 2.087 . . . 1.0 . . . . . . . . . . . . A . 8 SER H . . . . . . . . . rr_2mce 1
. 2 . 412 . 1 1 8 SER HA H -3.688 2.948 3.381 . . . 1.0 . . . . . . . . . . . . A . 8 SER HA . . . . . . . . . rr_2mce 1
. 2 . 413 . 1 1 8 SER HB2 H -6.165 1.239 3.869 . . . 1.0 . . . . . . . . . . . . A . 8 SER HB2 . . . . . . . . . rr_2mce 1
. 2 . 414 . 1 1 8 SER HB3 H -4.846 1.495 4.994 . . . 1.0 . . . . . . . . . . . . A . 8 SER HB3 . . . . . . . . . rr_2mce 1
. 2 . 415 . 1 1 8 SER HG H -6.717 3.481 4.024 . . . 1.0 . . . . . . . . . . . . A . 8 SER HG . . . . . . . . . rr_2mce 1
. 2 . 416 . 1 1 8 SER N N -5.187 3.073 2.013 . . . 1.0 . . . . . . . . . . . . A . 8 SER N . . . . . . . . . rr_2mce 1
. 2 . 417 . 1 1 8 SER O O -3.079 0.361 3.022 . . . 1.0 . . . . . . . . . . . . A . 8 SER O . . . . . . . . . rr_2mce 1
. 2 . 418 . 1 1 8 SER OG O -6.081 3.121 4.706 . . . 1.0 . . . . . . . . . . . . A . 8 SER OG . . . . . . . . . rr_2mce 1
. 2 . 419 . 1 1 9 HIS C C -2.645 -0.185 -0.204 . . . 1.0 . . . . . . . . . . . . A . 9 HIS C . . . . . . . . . rr_2mce 1
. 2 . 420 . 1 1 9 HIS CA C -3.956 -0.483 0.523 . . . 1.0 . . . . . . . . . . . . A . 9 HIS CA . . . . . . . . . rr_2mce 1
. 2 . 421 . 1 1 9 HIS CB C -5.048 -1.008 -0.412 . . . 1.0 . . . . . . . . . . . . A . 9 HIS CB . . . . . . . . . rr_2mce 1
. 2 . 422 . 1 1 9 HIS CD2 C -4.462 -2.715 -2.303 . . . 1.0 . . . . . . . . . . . . A . 9 HIS CD2 . . . . . . . . . rr_2mce 1
. 2 . 423 . 1 1 9 HIS CE1 C -4.410 -4.528 -1.080 . . . 1.0 . . . . . . . . . . . . A . 9 HIS CE1 . . . . . . . . . rr_2mce 1
. 2 . 424 . 1 1 9 HIS CG C -4.741 -2.357 -1.017 . . . 1.0 . . . . . . . . . . . . A . 9 HIS CG . . . . . . . . . rr_2mce 1
. 2 . 425 . 1 1 9 HIS H H -5.092 1.250 0.740 . . . 1.0 . . . . . . . . . . . . A . 9 HIS H . . . . . . . . . rr_2mce 1
. 2 . 426 . 1 1 9 HIS HA H -3.776 -1.244 1.283 . . . 1.0 . . . . . . . . . . . . A . 9 HIS HA . . . . . . . . . rr_2mce 1
. 2 . 427 . 1 1 9 HIS HB2 H -5.986 -1.073 0.140 . . . 1.0 . . . . . . . . . . . . A . 9 HIS HB2 . . . . . . . . . rr_2mce 1
. 2 . 428 . 1 1 9 HIS HB3 H -5.200 -0.287 -1.216 . . . 1.0 . . . . . . . . . . . . A . 9 HIS HB3 . . . . . . . . . rr_2mce 1
. 2 . 429 . 1 1 9 HIS HD1 H -4.866 -3.591 0.714 . . . 1.0 . . . . . . . . . . . . A . 9 HIS HD1 . . . . . . . . . rr_2mce 1
. 2 . 430 . 1 1 9 HIS HD2 H -4.412 -2.038 -3.156 . . . 1.0 . . . . . . . . . . . . A . 9 HIS HD2 . . . . . . . . . rr_2mce 1
. 2 . 431 . 1 1 9 HIS HE1 H -4.307 -5.574 -0.791 . . . 1.0 . . . . . . . . . . . . A . 9 HIS HE1 . . . . . . . . . rr_2mce 1
. 2 . 432 . 1 1 9 HIS N N -4.406 0.708 1.224 . . . 1.0 . . . . . . . . . . . . A . 9 HIS N . . . . . . . . . rr_2mce 1
. 2 . 433 . 1 1 9 HIS ND1 N -4.702 -3.521 -0.270 . . . 1.0 . . . . . . . . . . . . A . 9 HIS ND1 . . . . . . . . . rr_2mce 1
. 2 . 434 . 1 1 9 HIS NE2 N -4.261 -4.026 -2.340 . . . 1.0 . . . . . . . . . . . . A . 9 HIS NE2 . . . . . . . . . rr_2mce 1
. 2 . 435 . 1 1 9 HIS O O -1.957 -1.100 -0.653 . . . 1.0 . . . . . . . . . . . . A . 9 HIS O . . . . . . . . . rr_2mce 1
. 2 . 436 . 1 1 10 LYS C C 0.094 1.036 -0.172 . . . 1.0 . . . . . . . . . . . . A . 10 LYS C . . . . . . . . . rr_2mce 1
. 2 . 437 . 1 1 10 LYS CA C -1.118 1.530 -0.964 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CA . . . . . . . . . rr_2mce 1
. 2 . 438 . 1 1 10 LYS CB C -1.133 3.045 -1.182 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CB . . . . . . . . . rr_2mce 1
. 2 . 439 . 1 1 10 LYS CD C 0.937 3.821 0.031 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CD . . . . . . . . . rr_2mce 1
. 2 . 440 . 1 1 10 LYS CE C 1.453 5.197 0.460 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CE . . . . . . . . . rr_2mce 1
. 2 . 441 . 1 1 10 LYS CG C -0.593 3.781 0.045 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CG . . . . . . . . . rr_2mce 1
. 2 . 442 . 1 1 10 LYS H H -2.900 1.840 0.069 . . . 1.0 . . . . . . . . . . . . A . 10 LYS H . . . . . . . . . rr_2mce 1
. 2 . 443 . 1 1 10 LYS HA H -1.101 1.064 -1.949 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HA . . . . . . . . . rr_2mce 1
. 2 . 444 . 1 1 10 LYS HB2 H -0.532 3.297 -2.056 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HB2 . . . . . . . . . rr_2mce 1
. 2 . 445 . 1 1 10 LYS HB3 H -2.151 3.376 -1.390 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HB3 . . . . . . . . . rr_2mce 1
. 2 . 446 . 1 1 10 LYS HD2 H 1.331 3.057 0.699 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HD2 . . . . . . . . . rr_2mce 1
. 2 . 447 . 1 1 10 LYS HD3 H 1.301 3.588 -0.970 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HD3 . . . . . . . . . rr_2mce 1
. 2 . 448 . 1 1 10 LYS HE2 H 2.339 5.456 -0.121 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HE2 . . . . . . . . . rr_2mce 1
. 2 . 449 . 1 1 10 LYS HE3 H 0.700 5.956 0.249 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HE3 . . . . . . . . . rr_2mce 1
. 2 . 450 . 1 1 10 LYS HG2 H -0.986 4.797 0.067 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HG2 . . . . . . . . . rr_2mce 1
. 2 . 451 . 1 1 10 LYS HG3 H -0.939 3.287 0.952 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HG3 . . . . . . . . . rr_2mce 1
. 2 . 452 . 1 1 10 LYS HZ1 H 2.780 5.194 2.066 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HZ1 . . . . . . . . . rr_2mce 1
. 2 . 453 . 1 1 10 LYS HZ3 H 1.398 4.391 2.381 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HZ3 . . . . . . . . . rr_2mce 1
. 2 . 454 . 1 1 10 LYS N N -2.336 1.101 -0.298 . . . 1.0 . . . . . . . . . . . . A . 10 LYS N . . . . . . . . . rr_2mce 1
. 2 . 455 . 1 1 10 LYS NZ N 1.780 5.200 1.903 . . . 1.0 . . . . . . . . . . . . A . 10 LYS NZ . . . . . . . . . rr_2mce 1
. 2 . 456 . 1 1 10 LYS O O 1.207 0.999 -0.693 . . . 1.0 . . . . . . . . . . . . A . 10 LYS O . . . . . . . . . rr_2mce 1
. 2 . 457 . 1 1 11 ARG C C 1.427 -1.160 1.426 . . . 1.0 . . . . . . . . . . . . A . 11 ARG C . . . . . . . . . rr_2mce 1
. 2 . 458 . 1 1 11 ARG CA C 0.891 0.176 1.944 . . . 1.0 . . . . . . . . . . . . A . 11 ARG CA . . . . . . . . . rr_2mce 1
. 2 . 459 . 1 1 11 ARG CB C 0.385 -0.006 3.376 . . . 1.0 . . . . . . . . . . . . A . 11 ARG CB . . . . . . . . . rr_2mce 1
. 2 . 460 . 1 1 11 ARG CD C -0.950 -1.473 4.934 . . . 1.0 . . . . . . . . . . . . A . 11 ARG CD . . . . . . . . . rr_2mce 1
. 2 . 461 . 1 1 11 ARG CG C -0.533 -1.226 3.483 . . . 1.0 . . . . . . . . . . . . A . 11 ARG CG . . . . . . . . . rr_2mce 1
. 2 . 462 . 1 1 11 ARG CZ C -3.185 -2.593 4.874 . . . 1.0 . . . . . . . . . . . . A . 11 ARG CZ . . . . . . . . . rr_2mce 1
. 2 . 463 . 1 1 11 ARG H H -1.074 0.700 1.491 . . . 1.0 . . . . . . . . . . . . A . 11 ARG H . . . . . . . . . rr_2mce 1
. 2 . 464 . 1 1 11 ARG HA H 1.660 0.947 1.910 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HA . . . . . . . . . rr_2mce 1
. 2 . 465 . 1 1 11 ARG HB2 H 1.231 -0.123 4.053 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HB2 . . . . . . . . . rr_2mce 1
. 2 . 466 . 1 1 11 ARG HB3 H -0.156 0.887 3.692 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HB3 . . . . . . . . . rr_2mce 1
. 2 . 467 . 1 1 11 ARG HD2 H -0.066 -1.636 5.552 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HD2 . . . . . . . . . rr_2mce 1
. 2 . 468 . 1 1 11 ARG HD3 H -1.458 -0.594 5.330 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HD3 . . . . . . . . . rr_2mce 1
. 2 . 469 . 1 1 11 ARG HE H -1.427 -3.546 5.172 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HE . . . . . . . . . rr_2mce 1
. 2 . 470 . 1 1 11 ARG HG2 H -1.419 -1.075 2.867 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HG2 . . . . . . . . . rr_2mce 1
. 2 . 471 . 1 1 11 ARG HG3 H -0.020 -2.105 3.092 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HG3 . . . . . . . . . rr_2mce 1
. 2 . 472 . 1 1 11 ARG HH11 H -3.262 -0.572 4.590 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HH11 . . . . . . . . . rr_2mce 1
. 2 . 473 . 1 1 11 ARG HH12 H -4.795 -1.377 4.554 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HH12 . . . . . . . . . rr_2mce 1
. 2 . 474 . 1 1 11 ARG HH22 H -4.882 -3.750 4.871 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HH22 . . . . . . . . . rr_2mce 1
. 2 . 475 . 1 1 11 ARG N N -0.164 0.668 1.075 . . . 1.0 . . . . . . . . . . . . A . 11 ARG N . . . . . . . . . rr_2mce 1
. 2 . 476 . 1 1 11 ARG NE N -1.843 -2.650 5.010 . . . 1.0 . . . . . . . . . . . . A . 11 ARG NE . . . . . . . . . rr_2mce 1
. 2 . 477 . 1 1 11 ARG NH1 N -3.801 -1.411 4.654 . . . 1.0 . . . . . . . . . . . . A . 11 ARG NH1 . . . . . . . . . rr_2mce 1
. 2 . 478 . 1 1 11 ARG NH2 N -3.886 -3.708 4.960 . . . 1.0 . . . . . . . . . . . . A . 11 ARG NH2 . . . . . . . . . rr_2mce 1
. 2 . 479 . 1 1 11 ARG O O 2.465 -1.635 1.881 . . . 1.0 . . . . . . . . . . . . A . 11 ARG O . . . . . . . . . rr_2mce 1
. 2 . 480 . 1 1 12 HIS C C 2.320 -2.806 -0.980 . . . 1.0 . . . . . . . . . . . . A . 12 HIS C . . . . . . . . . rr_2mce 1
. 2 . 481 . 1 1 12 HIS CA C 1.081 -3.001 -0.104 . . . 1.0 . . . . . . . . . . . . A . 12 HIS CA . . . . . . . . . rr_2mce 1
. 2 . 482 . 1 1 12 HIS CB C -0.089 -3.629 -0.865 . . . 1.0 . . . . . . . . . . . . A . 12 HIS CB . . . . . . . . . rr_2mce 1
. 2 . 483 . 1 1 12 HIS CD2 C -1.337 -5.693 0.142 . . . 1.0 . . . . . . . . . . . . A . 12 HIS CD2 . . . . . . . . . rr_2mce 1
. 2 . 484 . 1 1 12 HIS CE1 C -2.653 -4.619 1.522 . . . 1.0 . . . . . . . . . . . . A . 12 HIS CE1 . . . . . . . . . rr_2mce 1
. 2 . 485 . 1 1 12 HIS CG C -1.072 -4.361 0.017 . . . 1.0 . . . . . . . . . . . . A . 12 HIS CG . . . . . . . . . rr_2mce 1
. 2 . 486 . 1 1 12 HIS H H -0.151 -1.336 0.116 . . . 1.0 . . . . . . . . . . . . A . 12 HIS H . . . . . . . . . rr_2mce 1
. 2 . 487 . 1 1 12 HIS HA H 1.332 -3.663 0.724 . . . 1.0 . . . . . . . . . . . . A . 12 HIS HA . . . . . . . . . rr_2mce 1
. 2 . 488 . 1 1 12 HIS HB2 H -0.617 -2.846 -1.409 . . . 1.0 . . . . . . . . . . . . A . 12 HIS HB2 . . . . . . . . . rr_2mce 1
. 2 . 489 . 1 1 12 HIS HB3 H 0.304 -4.323 -1.608 . . . 1.0 . . . . . . . . . . . . A . 12 HIS HB3 . . . . . . . . . rr_2mce 1
. 2 . 490 . 1 1 12 HIS HD1 H -1.965 -2.721 1.042 . . . 1.0 . . . . . . . . . . . . A . 12 HIS HD1 . . . . . . . . . rr_2mce 1
. 2 . 491 . 1 1 12 HIS HD2 H -0.848 -6.494 -0.412 . . . 1.0 . . . . . . . . . . . . A . 12 HIS HD2 . . . . . . . . . rr_2mce 1
. 2 . 492 . 1 1 12 HIS HE1 H -3.413 -4.420 2.278 . . . 1.0 . . . . . . . . . . . . A . 12 HIS HE1 . . . . . . . . . rr_2mce 1
. 2 . 493 . 1 1 12 HIS N N 0.692 -1.729 0.481 . . . 1.0 . . . . . . . . . . . . A . 12 HIS N . . . . . . . . . rr_2mce 1
. 2 . 494 . 1 1 12 HIS ND1 N -1.918 -3.709 0.899 . . . 1.0 . . . . . . . . . . . . A . 12 HIS ND1 . . . . . . . . . rr_2mce 1
. 2 . 495 . 1 1 12 HIS NE2 N -2.291 -5.847 1.053 . . . 1.0 . . . . . . . . . . . . A . 12 HIS NE2 . . . . . . . . . rr_2mce 1
. 2 . 496 . 1 1 12 HIS O O 3.061 -3.755 -1.233 . . . 1.0 . . . . . . . . . . . . A . 12 HIS O . . . . . . . . . rr_2mce 1
. 2 . 497 . 1 1 13 LYS C C 4.925 -1.283 -1.419 . . . 1.0 . . . . . . . . . . . . A . 13 LYS C . . . . . . . . . rr_2mce 1
. 2 . 498 . 1 1 13 LYS CA C 3.646 -1.239 -2.258 . . . 1.0 . . . . . . . . . . . . A . 13 LYS CA . . . . . . . . . rr_2mce 1
. 2 . 499 . 1 1 13 LYS CB C 3.419 0.100 -2.963 . . . 1.0 . . . . . . . . . . . . A . 13 LYS CB . . . . . . . . . rr_2mce 1
. 2 . 500 . 1 1 13 LYS CD C 3.780 2.594 -2.854 . . . 1.0 . . . . . . . . . . . . A . 13 LYS CD . . . . . . . . . rr_2mce 1
. 2 . 501 . 1 1 13 LYS CE C 4.034 3.768 -1.907 . . . 1.0 . . . . . . . . . . . . A . 13 LYS CE . . . . . . . . . rr_2mce 1
. 2 . 502 . 1 1 13 LYS CG C 3.990 1.257 -2.140 . . . 1.0 . . . . . . . . . . . . A . 13 LYS CG . . . . . . . . . rr_2mce 1
. 2 . 503 . 1 1 13 LYS H H 1.902 -0.804 -1.206 . . . 1.0 . . . . . . . . . . . . A . 13 LYS H . . . . . . . . . rr_2mce 1
. 2 . 504 . 1 1 13 LYS HA H 3.714 -2.003 -3.032 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HA . . . . . . . . . rr_2mce 1
. 2 . 505 . 1 1 13 LYS HB2 H 3.889 0.082 -3.946 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HB2 . . . . . . . . . rr_2mce 1
. 2 . 506 . 1 1 13 LYS HB3 H 2.352 0.254 -3.123 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HB3 . . . . . . . . . rr_2mce 1
. 2 . 507 . 1 1 13 LYS HD2 H 4.451 2.662 -3.711 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HD2 . . . . . . . . . rr_2mce 1
. 2 . 508 . 1 1 13 LYS HD3 H 2.762 2.648 -3.241 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HD3 . . . . . . . . . rr_2mce 1
. 2 . 509 . 1 1 13 LYS HE2 H 3.091 4.261 -1.669 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HE2 . . . . . . . . . rr_2mce 1
. 2 . 510 . 1 1 13 LYS HE3 H 4.448 3.401 -0.968 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HE3 . . . . . . . . . rr_2mce 1
. 2 . 511 . 1 1 13 LYS HG2 H 3.508 1.284 -1.162 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HG2 . . . . . . . . . rr_2mce 1
. 2 . 512 . 1 1 13 LYS HG3 H 5.053 1.095 -1.968 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HG3 . . . . . . . . . rr_2mce 1
. 2 . 513 . 1 1 13 LYS HZ1 H 4.504 5.606 -2.767 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HZ1 . . . . . . . . . rr_2mce 1
. 2 . 514 . 1 1 13 LYS HZ3 H 5.384 4.377 -3.373 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HZ3 . . . . . . . . . rr_2mce 1
. 2 . 515 . 1 1 13 LYS N N 2.508 -1.570 -1.417 . . . 1.0 . . . . . . . . . . . . A . 13 LYS N . . . . . . . . . rr_2mce 1
. 2 . 516 . 1 1 13 LYS NZ N 4.967 4.738 -2.522 . . . 1.0 . . . . . . . . . . . . A . 13 LYS NZ . . . . . . . . . rr_2mce 1
. 2 . 517 . 1 1 13 LYS O O 6.017 -1.465 -1.956 . . . 1.0 . . . . . . . . . . . . A . 13 LYS O . . . . . . . . . rr_2mce 1
. 2 . 518 . 1 1 14 THR C C 6.367 -2.565 1.011 . . . 1.0 . . . . . . . . . . . . A . 14 THR C . . . . . . . . . rr_2mce 1
. 2 . 519 . 1 1 14 THR CA C 5.873 -1.131 0.800 . . . 1.0 . . . . . . . . . . . . A . 14 THR CA . . . . . . . . . rr_2mce 1
. 2 . 520 . 1 1 14 THR CB C 5.439 -0.442 2.095 . . . 1.0 . . . . . . . . . . . . A . 14 THR CB . . . . . . . . . rr_2mce 1
. 2 . 521 . 1 1 14 THR CG2 C 6.579 -0.333 3.110 . . . 1.0 . . . . . . . . . . . . A . 14 THR CG2 . . . . . . . . . rr_2mce 1
. 2 . 522 . 1 1 14 THR H H 3.856 -0.965 0.311 . . . 1.0 . . . . . . . . . . . . A . 14 THR H . . . . . . . . . rr_2mce 1
. 2 . 523 . 1 1 14 THR HA H 6.695 -0.574 0.349 . . . 1.0 . . . . . . . . . . . . A . 14 THR HA . . . . . . . . . rr_2mce 1
. 2 . 524 . 1 1 14 THR HB H 4.576 -0.942 2.532 . . . 1.0 . . . . . . . . . . . . A . 14 THR HB . . . . . . . . . rr_2mce 1
. 2 . 525 . 1 1 14 THR HG1 H 5.947 1.243 1.142 . . . 1.0 . . . . . . . . . . . . A . 14 THR HG1 . . . . . . . . . rr_2mce 1
. 2 . 526 . 1 1 14 THR HG21 H 7.536 -0.405 2.593 . . . 1.0 . . . . . . . . . . . . A . 14 THR HG21 . . . . . . . . . rr_2mce 1
. 2 . 527 . 1 1 14 THR HG22 H 6.516 0.627 3.625 . . . 1.0 . . . . . . . . . . . . A . 14 THR HG22 . . . . . . . . . rr_2mce 1
. 2 . 528 . 1 1 14 THR HG23 H 6.497 -1.141 3.837 . . . 1.0 . . . . . . . . . . . . A . 14 THR HG23 . . . . . . . . . rr_2mce 1
. 2 . 529 . 1 1 14 THR N N 4.747 -1.113 -0.118 . . . 1.0 . . . . . . . . . . . . A . 14 THR N . . . . . . . . . rr_2mce 1
. 2 . 530 . 1 1 14 THR O O 7.523 -2.781 1.371 . . . 1.0 . . . . . . . . . . . . A . 14 THR O . . . . . . . . . rr_2mce 1
. 2 . 531 . 1 1 14 THR OG1 O 5.192 0.906 1.705 . . . 1.0 . . . . . . . . . . . . A . 14 THR OG1 . . . . . . . . . rr_2mce 1
. 2 . 532 . 1 1 15 ASP C C 6.661 -5.366 -0.240 . . . 1.0 . . . . . . . . . . . . A . 15 ASP C . . . . . . . . . rr_2mce 1
. 2 . 533 . 1 1 15 ASP CA C 5.795 -4.913 0.935 . . . 1.0 . . . . . . . . . . . . A . 15 ASP CA . . . . . . . . . rr_2mce 1
. 2 . 534 . 1 1 15 ASP CB C 4.530 -5.776 0.953 . . . 1.0 . . . . . . . . . . . . A . 15 ASP CB . . . . . . . . . rr_2mce 1
. 2 . 535 . 1 1 15 ASP CG C 3.777 -5.794 2.284 . . . 1.0 . . . . . . . . . . . . A . 15 ASP CG . . . . . . . . . rr_2mce 1
. 2 . 536 . 1 1 15 ASP H H 4.527 -3.323 0.483 . . . 1.0 . . . . . . . . . . . . A . 15 ASP H . . . . . . . . . rr_2mce 1
. 2 . 537 . 1 1 15 ASP HA H 6.318 -4.979 1.889 . . . 1.0 . . . . . . . . . . . . A . 15 ASP HA . . . . . . . . . rr_2mce 1
. 2 . 538 . 1 1 15 ASP HB2 H 3.855 -5.419 0.174 . . . 1.0 . . . . . . . . . . . . A . 15 ASP HB2 . . . . . . . . . rr_2mce 1
. 2 . 539 . 1 1 15 ASP HB3 H 4.804 -6.798 0.692 . . . 1.0 . . . . . . . . . . . . A . 15 ASP HB3 . . . . . . . . . rr_2mce 1
. 2 . 540 . 1 1 15 ASP HD2 H 2.109 -5.254 2.970 . . . 1.0 . . . . . . . . . . . . A . 15 ASP HD2 . . . . . . . . . rr_2mce 1
. 2 . 541 . 1 1 15 ASP N N 5.465 -3.507 0.776 . . . 1.0 . . . . . . . . . . . . A . 15 ASP N . . . . . . . . . rr_2mce 1
. 2 . 542 . 1 1 15 ASP O O 7.462 -6.290 -0.107 . . . 1.0 . . . . . . . . . . . . A . 15 ASP O . . . . . . . . . rr_2mce 1
. 2 . 543 . 1 1 15 ASP OD1 O 4.387 -5.858 3.362 . . . 1.0 . . . . . . . . . . . . A . 15 ASP OD1 . . . . . . . . . rr_2mce 1
. 2 . 544 . 1 1 15 ASP OD2 O 2.493 -5.739 2.184 . . . 1.0 . . . . . . . . . . . . A . 15 ASP OD2 . . . . . . . . . rr_2mce 1
. 2 . 545 . 1 1 16 SER C C 8.657 -4.494 -2.441 . . . 1.0 . . . . . . . . . . . . A . 16 SER C . . . . . . . . . rr_2mce 1
. 2 . 546 . 1 1 16 SER CA C 7.225 -5.018 -2.567 . . . 1.0 . . . . . . . . . . . . A . 16 SER CA . . . . . . . . . rr_2mce 1
. 2 . 547 . 1 1 16 SER CB C 6.555 -4.434 -3.812 . . . 1.0 . . . . . . . . . . . . A . 16 SER CB . . . . . . . . . rr_2mce 1
. 2 . 548 . 1 1 16 SER H H 5.817 -3.946 -1.469 . . . 1.0 . . . . . . . . . . . . A . 16 SER H . . . . . . . . . rr_2mce 1
. 2 . 549 . 1 1 16 SER HA H 7.218 -6.106 -2.628 . . . 1.0 . . . . . . . . . . . . A . 16 SER HA . . . . . . . . . rr_2mce 1
. 2 . 550 . 1 1 16 SER HB2 H 5.507 -4.226 -3.597 . . . 1.0 . . . . . . . . . . . . A . 16 SER HB2 . . . . . . . . . rr_2mce 1
. 2 . 551 . 1 1 16 SER HB3 H 7.023 -3.482 -4.064 . . . 1.0 . . . . . . . . . . . . A . 16 SER HB3 . . . . . . . . . rr_2mce 1
. 2 . 552 . 1 1 16 SER HG H 5.998 -6.072 -4.818 . . . 1.0 . . . . . . . . . . . . A . 16 SER HG . . . . . . . . . rr_2mce 1
. 2 . 553 . 1 1 16 SER N N 6.471 -4.695 -1.368 . . . 1.0 . . . . . . . . . . . . A . 16 SER N . . . . . . . . . rr_2mce 1
. 2 . 554 . 1 1 16 SER O O 9.562 -4.981 -3.119 . . . 1.0 . . . . . . . . . . . . A . 16 SER O . . . . . . . . . rr_2mce 1
. 2 . 555 . 1 1 16 SER OG O 6.642 -5.315 -4.929 . . . 1.0 . . . . . . . . . . . . A . 16 SER OG . . . . . . . . . rr_2mce 1
. 2 . 556 . 1 1 17 PHE C C 11.015 -3.844 -0.513 . . . 1.0 . . . . . . . . . . . . A . 17 PHE C . . . . . . . . . rr_2mce 1
. 2 . 557 . 1 1 17 PHE CA C 10.126 -2.917 -1.344 . . . 1.0 . . . . . . . . . . . . A . 17 PHE CA . . . . . . . . . rr_2mce 1
. 2 . 558 . 1 1 17 PHE CB C 9.900 -1.618 -0.569 . . . 1.0 . . . . . . . . . . . . A . 17 PHE CB . . . . . . . . . rr_2mce 1
. 2 . 559 . 1 1 17 PHE CD1 C 8.899 -0.212 -2.383 . . . 1.0 . . . . . . . . . . . . A . 17 PHE CD1 . . . . . . . . . rr_2mce 1
. 2 . 560 . 1 1 17 PHE CD2 C 10.825 0.594 -1.294 . . . 1.0 . . . . . . . . . . . . A . 17 PHE CD2 . . . . . . . . . rr_2mce 1
. 2 . 561 . 1 1 17 PHE CE1 C 8.874 0.950 -3.199 . . . 1.0 . . . . . . . . . . . . A . 17 PHE CE1 . . . . . . . . . rr_2mce 1
. 2 . 562 . 1 1 17 PHE CE2 C 10.800 1.756 -2.110 . . . 1.0 . . . . . . . . . . . . A . 17 PHE CE2 . . . . . . . . . rr_2mce 1
. 2 . 563 . 1 1 17 PHE CG C 9.874 -0.365 -1.448 . . . 1.0 . . . . . . . . . . . . A . 17 PHE CG . . . . . . . . . rr_2mce 1
. 2 . 564 . 1 1 17 PHE CZ C 9.825 1.910 -3.044 . . . 1.0 . . . . . . . . . . . . A . 17 PHE CZ . . . . . . . . . rr_2mce 1
. 2 . 565 . 1 1 17 PHE H H 8.078 -3.121 -1.020 . . . 1.0 . . . . . . . . . . . . A . 17 PHE H . . . . . . . . . rr_2mce 1
. 2 . 566 . 1 1 17 PHE HA H 10.582 -2.760 -2.322 . . . 1.0 . . . . . . . . . . . . A . 17 PHE HA . . . . . . . . . rr_2mce 1
. 2 . 567 . 1 1 17 PHE HB2 H 8.957 -1.689 -0.028 . . . 1.0 . . . . . . . . . . . . A . 17 PHE HB2 . . . . . . . . . rr_2mce 1
. 2 . 568 . 1 1 17 PHE HB3 H 10.689 -1.509 0.175 . . . 1.0 . . . . . . . . . . . . A . 17 PHE HB3 . . . . . . . . . rr_2mce 1
. 2 . 569 . 1 1 17 PHE HD1 H 8.136 -0.981 -2.507 . . . 1.0 . . . . . . . . . . . . A . 17 PHE HD1 . . . . . . . . . rr_2mce 1
. 2 . 570 . 1 1 17 PHE HD2 H 11.607 0.470 -0.544 . . . 1.0 . . . . . . . . . . . . A . 17 PHE HD2 . . . . . . . . . rr_2mce 1
. 2 . 571 . 1 1 17 PHE HE1 H 8.091 1.074 -3.949 . . . 1.0 . . . . . . . . . . . . A . 17 PHE HE1 . . . . . . . . . rr_2mce 1
. 2 . 572 . 1 1 17 PHE HE2 H 11.564 2.525 -1.986 . . . 1.0 . . . . . . . . . . . . A . 17 PHE HE2 . . . . . . . . . rr_2mce 1
. 2 . 573 . 1 1 17 PHE HZ H 9.806 2.802 -3.671 . . . 1.0 . . . . . . . . . . . . A . 17 PHE HZ . . . . . . . . . rr_2mce 1
. 2 . 574 . 1 1 17 PHE N N 8.820 -3.511 -1.568 . . . 1.0 . . . . . . . . . . . . A . 17 PHE N . . . . . . . . . rr_2mce 1
. 2 . 575 . 1 1 17 PHE O O 12.240 -3.743 -0.561 . . . 1.0 . . . . . . . . . . . . A . 17 PHE O . . . . . . . . . rr_2mce 1
. 2 . 576 . 1 1 18 VAL C C 11.735 -6.738 0.188 . . . 1.0 . . . . . . . . . . . . A . 18 VAL C . . . . . . . . . rr_2mce 1
. 2 . 577 . 1 1 18 VAL CA C 11.079 -5.673 1.069 . . . 1.0 . . . . . . . . . . . . A . 18 VAL CA . . . . . . . . . rr_2mce 1
. 2 . 578 . 1 1 18 VAL CB C 10.132 -6.264 2.116 . . . 1.0 . . . . . . . . . . . . A . 18 VAL CB . . . . . . . . . rr_2mce 1
. 2 . 579 . 1 1 18 VAL CG1 C 10.893 -7.148 3.106 . . . 1.0 . . . . . . . . . . . . A . 18 VAL CG1 . . . . . . . . . rr_2mce 1
. 2 . 580 . 1 1 18 VAL CG2 C 9.364 -5.160 2.846 . . . 1.0 . . . . . . . . . . . . A . 18 VAL CG2 . . . . . . . . . rr_2mce 1
. 2 . 581 . 1 1 18 VAL H H 9.366 -4.803 0.262 . . . 1.0 . . . . . . . . . . . . A . 18 VAL H . . . . . . . . . rr_2mce 1
. 2 . 582 . 1 1 18 VAL HA H 11.859 -5.121 1.593 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HA . . . . . . . . . rr_2mce 1
. 2 . 583 . 1 1 18 VAL HB H 9.406 -6.889 1.596 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HB . . . . . . . . . rr_2mce 1
. 2 . 584 . 1 1 18 VAL HG11 H 11.244 -6.541 3.940 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HG11 . . . . . . . . . rr_2mce 1
. 2 . 585 . 1 1 18 VAL HG12 H 10.230 -7.929 3.478 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HG12 . . . . . . . . . rr_2mce 1
. 2 . 586 . 1 1 18 VAL HG13 H 11.745 -7.605 2.603 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HG13 . . . . . . . . . rr_2mce 1
. 2 . 587 . 1 1 18 VAL HG21 H 8.410 -5.551 3.196 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HG21 . . . . . . . . . rr_2mce 1
. 2 . 588 . 1 1 18 VAL HG22 H 9.948 -4.813 3.698 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HG22 . . . . . . . . . rr_2mce 1
. 2 . 589 . 1 1 18 VAL HG23 H 9.188 -4.328 2.163 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HG23 . . . . . . . . . rr_2mce 1
. 2 . 590 . 1 1 18 VAL N N 10.363 -4.728 0.229 . . . 1.0 . . . . . . . . . . . . A . 18 VAL N . . . . . . . . . rr_2mce 1
. 2 . 591 . 1 1 18 VAL O O 12.788 -7.271 0.533 . . . 1.0 . . . . . . . . . . . . A . 18 VAL O . . . . . . . . . rr_2mce 1
. 2 . 592 . 1 1 19 GLY C C 12.626 -7.390 -2.813 . . . 1.0 . . . . . . . . . . . . A . 19 GLY C . . . . . . . . . rr_2mce 1
. 2 . 593 . 1 1 19 GLY CA C 11.592 -8.005 -1.867 . . . 1.0 . . . . . . . . . . . . A . 19 GLY CA . . . . . . . . . rr_2mce 1
. 2 . 594 . 1 1 19 GLY H H 10.229 -6.576 -1.206 . . . 1.0 . . . . . . . . . . . . A . 19 GLY H . . . . . . . . . rr_2mce 1
. 2 . 595 . 1 1 19 GLY HA2 H 12.044 -8.831 -1.317 . . . 1.0 . . . . . . . . . . . . A . 19 GLY HA2 . . . . . . . . . rr_2mce 1
. 2 . 596 . 1 1 19 GLY HA3 H 10.767 -8.421 -2.445 . . . 1.0 . . . . . . . . . . . . A . 19 GLY HA3 . . . . . . . . . rr_2mce 1
. 2 . 597 . 1 1 19 GLY N N 11.085 -7.014 -0.933 . . . 1.0 . . . . . . . . . . . . A . 19 GLY N . . . . . . . . . rr_2mce 1
. 2 . 598 . 1 1 19 GLY O O 13.185 -8.082 -3.661 . . . 1.0 . . . . . . . . . . . . A . 19 GLY O . . . . . . . . . rr_2mce 1
. 2 . 599 . 1 1 20 LEU C C 15.185 -5.441 -2.805 . . . 1.0 . . . . . . . . . . . . A . 20 LEU C . . . . . . . . . rr_2mce 1
. 2 . 600 . 1 1 20 LEU CA C 13.803 -5.380 -3.460 . . . 1.0 . . . . . . . . . . . . A . 20 LEU CA . . . . . . . . . rr_2mce 1
. 2 . 601 . 1 1 20 LEU CB C 13.314 -3.955 -3.734 . . . 1.0 . . . . . . . . . . . . A . 20 LEU CB . . . . . . . . . rr_2mce 1
. 2 . 602 . 1 1 20 LEU CD1 C 14.246 -3.693 -6.063 . . . 1.0 . . . . . . . . . . . . A . 20 LEU CD1 . . . . . . . . . rr_2mce 1
. 2 . 603 . 1 1 20 LEU CD2 C 11.876 -4.532 -5.723 . . . 1.0 . . . . . . . . . . . . A . 20 LEU CD2 . . . . . . . . . rr_2mce 1
. 2 . 604 . 1 1 20 LEU CG C 12.989 -3.628 -5.192 . . . 1.0 . . . . . . . . . . . . A . 20 LEU CG . . . . . . . . . rr_2mce 1
. 2 . 605 . 1 1 20 LEU H H 12.388 -5.541 -1.941 . . . 1.0 . . . . . . . . . . . . A . 20 LEU H . . . . . . . . . rr_2mce 1
. 2 . 606 . 1 1 20 LEU HA H 13.854 -5.893 -4.421 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HA . . . . . . . . . rr_2mce 1
. 2 . 607 . 1 1 20 LEU HB2 H 12.422 -3.779 -3.134 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HB2 . . . . . . . . . rr_2mce 1
. 2 . 608 . 1 1 20 LEU HB3 H 14.076 -3.259 -3.386 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HB3 . . . . . . . . . rr_2mce 1
. 2 . 609 . 1 1 20 LEU HD11 H 15.048 -3.131 -5.585 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HD11 . . . . . . . . . rr_2mce 1
. 2 . 610 . 1 1 20 LEU HD12 H 14.551 -4.732 -6.182 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HD12 . . . . . . . . . rr_2mce 1
. 2 . 611 . 1 1 20 LEU HD13 H 14.033 -3.262 -7.041 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HD13 . . . . . . . . . rr_2mce 1
. 2 . 612 . 1 1 20 LEU HD21 H 12.008 -5.539 -5.330 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HD21 . . . . . . . . . rr_2mce 1
. 2 . 613 . 1 1 20 LEU HD22 H 10.909 -4.142 -5.406 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HD22 . . . . . . . . . rr_2mce 1
. 2 . 614 . 1 1 20 LEU HD23 H 11.918 -4.559 -6.812 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HD23 . . . . . . . . . rr_2mce 1
. 2 . 615 . 1 1 20 LEU HG H 12.620 -2.602 -5.237 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HG . . . . . . . . . rr_2mce 1
. 2 . 616 . 1 1 20 LEU N N 12.847 -6.096 -2.634 . . . 1.0 . . . . . . . . . . . . A . 20 LEU N . . . . . . . . . rr_2mce 1
. 2 . 617 . 1 1 20 LEU O O 16.203 -5.301 -3.480 . . . 1.0 . . . . . . . . . . . . A . 20 LEU O . . . . . . . . . rr_2mce 1
. 2 . 618 . 1 1 21 MET C C 17.067 -7.104 -0.907 . . . 1.0 . . . . . . . . . . . . A . 21 MET C . . . . . . . . . rr_2mce 1
. 2 . 619 . 1 1 21 MET CA C 16.414 -5.730 -0.742 . . . 1.0 . . . . . . . . . . . . A . 21 MET CA . . . . . . . . . rr_2mce 1
. 2 . 620 . 1 1 21 MET CB C 16.127 -5.474 0.739 . . . 1.0 . . . . . . . . . . . . A . 21 MET CB . . . . . . . . . rr_2mce 1
. 2 . 621 . 1 1 21 MET CE C 15.498 -4.355 3.667 . . . 1.0 . . . . . . . . . . . . A . 21 MET CE . . . . . . . . . rr_2mce 1
. 2 . 622 . 1 1 21 MET CG C 16.371 -4.006 1.099 . . . 1.0 . . . . . . . . . . . . A . 21 MET CG . . . . . . . . . rr_2mce 1
. 2 . 623 . 1 1 21 MET H H 14.342 -5.762 -0.954 . . . 1.0 . . . . . . . . . . . . A . 21 MET H . . . . . . . . . rr_2mce 1
. 2 . 624 . 1 1 21 MET HA H 17.062 -4.959 -1.160 . . . 1.0 . . . . . . . . . . . . A . 21 MET HA . . . . . . . . . rr_2mce 1
. 2 . 625 . 1 1 21 MET HB2 H 15.095 -5.741 0.965 . . . 1.0 . . . . . . . . . . . . A . 21 MET HB2 . . . . . . . . . rr_2mce 1
. 2 . 626 . 1 1 21 MET HB3 H 16.764 -6.113 1.352 . . . 1.0 . . . . . . . . . . . . A . 21 MET HB3 . . . . . . . . . rr_2mce 1
. 2 . 627 . 1 1 21 MET HE1 H 14.626 -4.405 4.319 . . . 1.0 . . . . . . . . . . . . A . 21 MET HE1 . . . . . . . . . rr_2mce 1
. 2 . 628 . 1 1 21 MET HE2 H 15.801 -5.364 3.387 . . . 1.0 . . . . . . . . . . . . A . 21 MET HE2 . . . . . . . . . rr_2mce 1
. 2 . 629 . 1 1 21 MET HE3 H 16.317 -3.862 4.192 . . . 1.0 . . . . . . . . . . . . A . 21 MET HE3 . . . . . . . . . rr_2mce 1
. 2 . 630 . 1 1 21 MET HG2 H 17.346 -3.897 1.574 . . . 1.0 . . . . . . . . . . . . A . 21 MET HG2 . . . . . . . . . rr_2mce 1
. 2 . 631 . 1 1 21 MET HG3 H 16.388 -3.399 0.193 . . . 1.0 . . . . . . . . . . . . A . 21 MET HG3 . . . . . . . . . rr_2mce 1
. 2 . 632 . 1 1 21 MET N N 15.175 -5.649 -1.496 . . . 1.0 . . . . . . . . . . . . A . 21 MET N . . . . . . . . . rr_2mce 1
. 2 . 633 . 1 1 21 MET O O 16.411 -8.130 -0.738 . . . 1.0 . . . . . . . . . . . . A . 21 MET O . . . . . . . . . rr_2mce 1
. 2 . 634 . 1 1 21 MET SD S 15.090 -3.427 2.197 . . . 1.0 . . . . . . . . . . . . A . 21 MET SD . . . . . . . . . rr_2mce 1
. 3 . 635 . 1 1 1 ASP C C -15.037 7.473 3.674 . . . 1.0 . . . . . . . . . . . . A . 1 ASP C . . . . . . . . . rr_2mce 1
. 3 . 636 . 1 1 1 ASP CA C -15.999 8.551 3.168 . . . 1.0 . . . . . . . . . . . . A . 1 ASP CA . . . . . . . . . rr_2mce 1
. 3 . 637 . 1 1 1 ASP CB C -16.060 8.450 1.642 . . . 1.0 . . . . . . . . . . . . A . 1 ASP CB . . . . . . . . . rr_2mce 1
. 3 . 638 . 1 1 1 ASP CG C -17.385 7.927 1.082 . . . 1.0 . . . . . . . . . . . . A . 1 ASP CG . . . . . . . . . rr_2mce 1
. 3 . 639 . 1 1 1 ASP H1 H -14.749 9.841 4.223 . . . 1.0 . . . . . . . . . . . . A . 1 ASP H1 . . . . . . . . . rr_2mce 1
. 3 . 640 . 1 1 1 ASP HA H -16.994 8.457 3.601 . . . 1.0 . . . . . . . . . . . . A . 1 ASP HA . . . . . . . . . rr_2mce 1
. 3 . 641 . 1 1 1 ASP HB2 H -15.868 9.436 1.221 . . . 1.0 . . . . . . . . . . . . A . 1 ASP HB2 . . . . . . . . . rr_2mce 1
. 3 . 642 . 1 1 1 ASP HB3 H -15.257 7.796 1.304 . . . 1.0 . . . . . . . . . . . . A . 1 ASP HB3 . . . . . . . . . rr_2mce 1
. 3 . 643 . 1 1 1 ASP HD2 H -18.511 6.422 0.959 . . . 1.0 . . . . . . . . . . . . A . 1 ASP HD2 . . . . . . . . . rr_2mce 1
. 3 . 644 . 1 1 1 ASP N N -15.521 9.857 3.587 . . . 1.0 . . . . . . . . . . . . A . 1 ASP N . . . . . . . . . rr_2mce 1
. 3 . 645 . 1 1 1 ASP O O -13.931 7.782 4.114 . . . 1.0 . . . . . . . . . . . . A . 1 ASP O . . . . . . . . . rr_2mce 1
. 3 . 646 . 1 1 1 ASP OD1 O -18.075 8.622 0.321 . . . 1.0 . . . . . . . . . . . . A . 1 ASP OD1 . . . . . . . . . rr_2mce 1
. 3 . 647 . 1 1 1 ASP OD2 O -17.706 6.737 1.462 . . . 1.0 . . . . . . . . . . . . A . 1 ASP OD2 . . . . . . . . . rr_2mce 1
. 3 . 648 . 1 1 2 ALA C C -13.848 4.593 2.869 . . . 1.0 . . . . . . . . . . . . A . 2 ALA C . . . . . . . . . rr_2mce 1
. 3 . 649 . 1 1 2 ALA CA C -14.688 5.108 4.040 . . . 1.0 . . . . . . . . . . . . A . 2 ALA CA . . . . . . . . . rr_2mce 1
. 3 . 650 . 1 1 2 ALA CB C -15.599 4.026 4.625 . . . 1.0 . . . . . . . . . . . . A . 2 ALA CB . . . . . . . . . rr_2mce 1
. 3 . 651 . 1 1 2 ALA H H -16.394 5.990 3.236 . . . 1.0 . . . . . . . . . . . . A . 2 ALA H . . . . . . . . . rr_2mce 1
. 3 . 652 . 1 1 2 ALA HA H -14.021 5.467 4.824 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HA . . . . . . . . . rr_2mce 1
. 3 . 653 . 1 1 2 ALA HB1 H -15.286 3.050 4.255 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HB1 . . . . . . . . . rr_2mce 1
. 3 . 654 . 1 1 2 ALA HB2 H -15.530 4.042 5.712 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HB2 . . . . . . . . . rr_2mce 1
. 3 . 655 . 1 1 2 ALA HB3 H -16.628 4.216 4.322 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HB3 . . . . . . . . . rr_2mce 1
. 3 . 656 . 1 1 2 ALA N N -15.494 6.232 3.595 . . . 1.0 . . . . . . . . . . . . A . 2 ALA N . . . . . . . . . rr_2mce 1
. 3 . 657 . 1 1 2 ALA O O -12.993 3.728 3.047 . . . 1.0 . . . . . . . . . . . . A . 2 ALA O . . . . . . . . . rr_2mce 1
. 3 . 658 . 1 1 3 GLY C C -11.968 5.291 0.520 . . . 1.0 . . . . . . . . . . . . A . 3 GLY C . . . . . . . . . rr_2mce 1
. 3 . 659 . 1 1 3 GLY CA C -13.401 4.756 0.497 . . . 1.0 . . . . . . . . . . . . A . 3 GLY CA . . . . . . . . . rr_2mce 1
. 3 . 660 . 1 1 3 GLY H H -14.818 5.853 1.562 . . . 1.0 . . . . . . . . . . . . A . 3 GLY H . . . . . . . . . rr_2mce 1
. 3 . 661 . 1 1 3 GLY HA2 H -13.387 3.670 0.417 . . . 1.0 . . . . . . . . . . . . A . 3 GLY HA2 . . . . . . . . . rr_2mce 1
. 3 . 662 . 1 1 3 GLY HA3 H -13.921 5.136 -0.382 . . . 1.0 . . . . . . . . . . . . A . 3 GLY HA3 . . . . . . . . . rr_2mce 1
. 3 . 663 . 1 1 3 GLY N N -14.121 5.149 1.698 . . . 1.0 . . . . . . . . . . . . A . 3 GLY N . . . . . . . . . rr_2mce 1
. 3 . 664 . 1 1 3 GLY O O -11.199 5.054 -0.412 . . . 1.0 . . . . . . . . . . . . A . 3 GLY O . . . . . . . . . rr_2mce 1
. 3 . 665 . 1 1 4 HIS C C -9.300 5.447 1.925 . . . 1.0 . . . . . . . . . . . . A . 4 HIS C . . . . . . . . . rr_2mce 1
. 3 . 666 . 1 1 4 HIS CA C -10.323 6.571 1.746 . . . 1.0 . . . . . . . . . . . . A . 4 HIS CA . . . . . . . . . rr_2mce 1
. 3 . 667 . 1 1 4 HIS CB C -10.297 7.584 2.893 . . . 1.0 . . . . . . . . . . . . A . 4 HIS CB . . . . . . . . . rr_2mce 1
. 3 . 668 . 1 1 4 HIS CD2 C -9.094 9.893 3.125 . . . 1.0 . . . . . . . . . . . . A . 4 HIS CD2 . . . . . . . . . rr_2mce 1
. 3 . 669 . 1 1 4 HIS CE1 C -9.691 10.750 1.201 . . . 1.0 . . . . . . . . . . . . A . 4 HIS CE1 . . . . . . . . . rr_2mce 1
. 3 . 670 . 1 1 4 HIS CG C -9.862 8.970 2.478 . . . 1.0 . . . . . . . . . . . . A . 4 HIS CG . . . . . . . . . rr_2mce 1
. 3 . 671 . 1 1 4 HIS H H -12.282 6.190 2.344 . . . 1.0 . . . . . . . . . . . . A . 4 HIS H . . . . . . . . . rr_2mce 1
. 3 . 672 . 1 1 4 HIS HA H -10.104 7.108 0.824 . . . 1.0 . . . . . . . . . . . . A . 4 HIS HA . . . . . . . . . rr_2mce 1
. 3 . 673 . 1 1 4 HIS HB2 H -11.291 7.644 3.334 . . . 1.0 . . . . . . . . . . . . A . 4 HIS HB2 . . . . . . . . . rr_2mce 1
. 3 . 674 . 1 1 4 HIS HB3 H -9.625 7.221 3.670 . . . 1.0 . . . . . . . . . . . . A . 4 HIS HB3 . . . . . . . . . rr_2mce 1
. 3 . 675 . 1 1 4 HIS HD1 H -10.791 9.109 0.567 . . . 1.0 . . . . . . . . . . . . A . 4 HIS HD1 . . . . . . . . . rr_2mce 1
. 3 . 676 . 1 1 4 HIS HD2 H -8.642 9.770 4.108 . . . 1.0 . . . . . . . . . . . . A . 4 HIS HD2 . . . . . . . . . rr_2mce 1
. 3 . 677 . 1 1 4 HIS HE1 H -9.793 11.449 0.372 . . . 1.0 . . . . . . . . . . . . A . 4 HIS HE1 . . . . . . . . . rr_2mce 1
. 3 . 678 . 1 1 4 HIS N N -11.651 6.002 1.592 . . . 1.0 . . . . . . . . . . . . A . 4 HIS N . . . . . . . . . rr_2mce 1
. 3 . 679 . 1 1 4 HIS ND1 N -10.224 9.539 1.269 . . . 1.0 . . . . . . . . . . . . A . 4 HIS ND1 . . . . . . . . . rr_2mce 1
. 3 . 680 . 1 1 4 HIS NE2 N -8.991 10.967 2.351 . . . 1.0 . . . . . . . . . . . . A . 4 HIS NE2 . . . . . . . . . rr_2mce 1
. 3 . 681 . 1 1 4 HIS O O -8.109 5.645 1.691 . . . 1.0 . . . . . . . . . . . . A . 4 HIS O . . . . . . . . . rr_2mce 1
. 3 . 682 . 1 1 5 GLY C C -8.466 2.560 1.217 . . . 1.0 . . . . . . . . . . . . A . 5 GLY C . . . . . . . . . rr_2mce 1
. 3 . 683 . 1 1 5 GLY CA C -8.949 3.138 2.550 . . . 1.0 . . . . . . . . . . . . A . 5 GLY CA . . . . . . . . . rr_2mce 1
. 3 . 684 . 1 1 5 GLY H H -10.773 4.141 2.526 . . . 1.0 . . . . . . . . . . . . A . 5 GLY H . . . . . . . . . rr_2mce 1
. 3 . 685 . 1 1 5 GLY HA2 H -8.089 3.423 3.158 . . . 1.0 . . . . . . . . . . . . A . 5 GLY HA2 . . . . . . . . . rr_2mce 1
. 3 . 686 . 1 1 5 GLY HA3 H -9.493 2.374 3.105 . . . 1.0 . . . . . . . . . . . . A . 5 GLY HA3 . . . . . . . . . rr_2mce 1
. 3 . 687 . 1 1 5 GLY N N -9.803 4.293 2.337 . . . 1.0 . . . . . . . . . . . . A . 5 GLY N . . . . . . . . . rr_2mce 1
. 3 . 688 . 1 1 5 GLY O O -7.522 1.774 1.183 . . . 1.0 . . . . . . . . . . . . A . 5 GLY O . . . . . . . . . rr_2mce 1
. 3 . 689 . 1 1 6 GLN C C -7.479 3.146 -1.641 . . . 1.0 . . . . . . . . . . . . A . 6 GLN C . . . . . . . . . rr_2mce 1
. 3 . 690 . 1 1 6 GLN CA C -8.791 2.506 -1.179 . . . 1.0 . . . . . . . . . . . . A . 6 GLN CA . . . . . . . . . rr_2mce 1
. 3 . 691 . 1 1 6 GLN CB C -9.919 2.791 -2.172 . . . 1.0 . . . . . . . . . . . . A . 6 GLN CB . . . . . . . . . rr_2mce 1
. 3 . 692 . 1 1 6 GLN CD C -11.423 0.803 -2.552 . . . 1.0 . . . . . . . . . . . . A . 6 GLN CD . . . . . . . . . rr_2mce 1
. 3 . 693 . 1 1 6 GLN CG C -10.197 1.570 -3.051 . . . 1.0 . . . . . . . . . . . . A . 6 GLN CG . . . . . . . . . rr_2mce 1
. 3 . 694 . 1 1 6 GLN H H -9.905 3.612 0.189 . . . 1.0 . . . . . . . . . . . . A . 6 GLN H . . . . . . . . . rr_2mce 1
. 3 . 695 . 1 1 6 GLN HA H -8.663 1.427 -1.084 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HA . . . . . . . . . rr_2mce 1
. 3 . 696 . 1 1 6 GLN HB2 H -10.824 3.068 -1.631 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HB2 . . . . . . . . . rr_2mce 1
. 3 . 697 . 1 1 6 GLN HB3 H -9.650 3.641 -2.799 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HB3 . . . . . . . . . rr_2mce 1
. 3 . 698 . 1 1 6 GLN HE21 H -12.586 2.314 -3.229 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HE21 . . . . . . . . . rr_2mce 1
. 3 . 699 . 1 1 6 GLN HE22 H -13.436 1.003 -2.483 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HE22 . . . . . . . . . rr_2mce 1
. 3 . 700 . 1 1 6 GLN HG2 H -10.358 1.888 -4.081 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HG2 . . . . . . . . . rr_2mce 1
. 3 . 701 . 1 1 6 GLN HG3 H -9.327 0.913 -3.052 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HG3 . . . . . . . . . rr_2mce 1
. 3 . 702 . 1 1 6 GLN N N -9.138 2.972 0.152 . . . 1.0 . . . . . . . . . . . . A . 6 GLN N . . . . . . . . . rr_2mce 1
. 3 . 703 . 1 1 6 GLN NE2 N -12.577 1.425 -2.773 . . . 1.0 . . . . . . . . . . . . A . 6 GLN NE2 . . . . . . . . . rr_2mce 1
. 3 . 704 . 1 1 6 GLN O O -6.831 2.649 -2.560 . . . 1.0 . . . . . . . . . . . . A . 6 GLN O . . . . . . . . . rr_2mce 1
. 3 . 705 . 1 1 6 GLN OE1 O -11.327 -0.282 -2.002 . . . 1.0 . . . . . . . . . . . . A . 6 GLN OE1 . . . . . . . . . rr_2mce 1
. 3 . 706 . 1 1 7 ILE C C -4.726 4.295 -0.592 . . . 1.0 . . . . . . . . . . . . A . 7 ILE C . . . . . . . . . rr_2mce 1
. 3 . 707 . 1 1 7 ILE CA C -5.905 4.953 -1.312 . . . 1.0 . . . . . . . . . . . . A . 7 ILE CA . . . . . . . . . rr_2mce 1
. 3 . 708 . 1 1 7 ILE CB C -6.056 6.445 -1.007 . . . 1.0 . . . . . . . . . . . . A . 7 ILE CB . . . . . . . . . rr_2mce 1
. 3 . 709 . 1 1 7 ILE CD1 C -6.775 7.005 -3.359 . . . 1.0 . . . . . . . . . . . . A . 7 ILE CD1 . . . . . . . . . rr_2mce 1
. 3 . 710 . 1 1 7 ILE CG1 C -7.147 7.074 -1.877 . . . 1.0 . . . . . . . . . . . . A . 7 ILE CG1 . . . . . . . . . rr_2mce 1
. 3 . 711 . 1 1 7 ILE CG2 C -4.718 7.172 -1.151 . . . 1.0 . . . . . . . . . . . . A . 7 ILE CG2 . . . . . . . . . rr_2mce 1
. 3 . 712 . 1 1 7 ILE H H -7.660 4.638 -0.234 . . . 1.0 . . . . . . . . . . . . A . 7 ILE H . . . . . . . . . rr_2mce 1
. 3 . 713 . 1 1 7 ILE HA H -5.752 4.857 -2.386 . . . 1.0 . . . . . . . . . . . . A . 7 ILE HA . . . . . . . . . rr_2mce 1
. 3 . 714 . 1 1 7 ILE HB H -6.371 6.552 0.030 . . . 1.0 . . . . . . . . . . . . A . 7 ILE HB . . . . . . . . . rr_2mce 1
. 3 . 715 . 1 1 7 ILE HD11 H -5.757 7.370 -3.495 . . . 1.0 . . . . . . . . . . . . A . 7 ILE HD11 . . . . . . . . . rr_2mce 1
. 3 . 716 . 1 1 7 ILE HD12 H -6.839 5.972 -3.702 . . . 1.0 . . . . . . . . . . . . A . 7 ILE HD12 . . . . . . . . . rr_2mce 1
. 3 . 717 . 1 1 7 ILE HD13 H -7.463 7.623 -3.936 . . . 1.0 . . . . . . . . . . . . A . 7 ILE HD13 . . . . . . . . . rr_2mce 1
. 3 . 718 . 1 1 7 ILE HG12 H -8.092 6.558 -1.711 . . . 1.0 . . . . . . . . . . . . A . 7 ILE HG12 . . . . . . . . . rr_2mce 1
. 3 . 719 . 1 1 7 ILE HG13 H -7.296 8.113 -1.583 . . . 1.0 . . . . . . . . . . . . A . 7 ILE HG13 . . . . . . . . . rr_2mce 1
. 3 . 720 . 1 1 7 ILE HG21 H -4.070 6.611 -1.823 . . . 1.0 . . . . . . . . . . . . A . 7 ILE HG21 . . . . . . . . . rr_2mce 1
. 3 . 721 . 1 1 7 ILE HG22 H -4.888 8.169 -1.559 . . . 1.0 . . . . . . . . . . . . A . 7 ILE HG22 . . . . . . . . . rr_2mce 1
. 3 . 722 . 1 1 7 ILE HG23 H -4.244 7.256 -0.173 . . . 1.0 . . . . . . . . . . . . A . 7 ILE HG23 . . . . . . . . . rr_2mce 1
. 3 . 723 . 1 1 7 ILE N N -7.128 4.239 -0.981 . . . 1.0 . . . . . . . . . . . . A . 7 ILE N . . . . . . . . . rr_2mce 1
. 3 . 724 . 1 1 7 ILE O O -3.577 4.461 -0.998 . . . 1.0 . . . . . . . . . . . . A . 7 ILE O . . . . . . . . . rr_2mce 1
. 3 . 725 . 1 1 8 SER C C -3.434 1.731 0.427 . . . 1.0 . . . . . . . . . . . . A . 8 SER C . . . . . . . . . rr_2mce 1
. 3 . 726 . 1 1 8 SER CA C -4.032 2.879 1.241 . . . 1.0 . . . . . . . . . . . . A . 8 SER CA . . . . . . . . . rr_2mce 1
. 3 . 727 . 1 1 8 SER CB C -4.607 2.353 2.558 . . . 1.0 . . . . . . . . . . . . A . 8 SER CB . . . . . . . . . rr_2mce 1
. 3 . 728 . 1 1 8 SER H H -5.988 3.432 0.785 . . . 1.0 . . . . . . . . . . . . A . 8 SER H . . . . . . . . . rr_2mce 1
. 3 . 729 . 1 1 8 SER HA H -3.275 3.634 1.451 . . . 1.0 . . . . . . . . . . . . A . 8 SER HA . . . . . . . . . rr_2mce 1
. 3 . 730 . 1 1 8 SER HB2 H -5.420 1.658 2.347 . . . 1.0 . . . . . . . . . . . . A . 8 SER HB2 . . . . . . . . . rr_2mce 1
. 3 . 731 . 1 1 8 SER HB3 H -3.838 1.793 3.091 . . . 1.0 . . . . . . . . . . . . A . 8 SER HB3 . . . . . . . . . rr_2mce 1
. 3 . 732 . 1 1 8 SER HG H -4.402 3.636 4.080 . . . 1.0 . . . . . . . . . . . . A . 8 SER HG . . . . . . . . . rr_2mce 1
. 3 . 733 . 1 1 8 SER N N -5.051 3.562 0.462 . . . 1.0 . . . . . . . . . . . . A . 8 SER N . . . . . . . . . rr_2mce 1
. 3 . 734 . 1 1 8 SER O O -2.366 1.219 0.760 . . . 1.0 . . . . . . . . . . . . A . 8 SER O . . . . . . . . . rr_2mce 1
. 3 . 735 . 1 1 8 SER OG O -5.088 3.407 3.389 . . . 1.0 . . . . . . . . . . . . A . 8 SER OG . . . . . . . . . rr_2mce 1
. 3 . 736 . 1 1 9 HIS C C -2.420 0.697 -2.211 . . . 1.0 . . . . . . . . . . . . A . 9 HIS C . . . . . . . . . rr_2mce 1
. 3 . 737 . 1 1 9 HIS CA C -3.702 0.278 -1.489 . . . 1.0 . . . . . . . . . . . . A . 9 HIS CA . . . . . . . . . rr_2mce 1
. 3 . 738 . 1 1 9 HIS CB C -4.814 -0.143 -2.450 . . . 1.0 . . . . . . . . . . . . A . 9 HIS CB . . . . . . . . . rr_2mce 1
. 3 . 739 . 1 1 9 HIS CD2 C -5.677 -2.560 -2.952 . . . 1.0 . . . . . . . . . . . . A . 9 HIS CD2 . . . . . . . . . rr_2mce 1
. 3 . 740 . 1 1 9 HIS CE1 C -6.298 -3.096 -0.923 . . . 1.0 . . . . . . . . . . . . A . 9 HIS CE1 . . . . . . . . . rr_2mce 1
. 3 . 741 . 1 1 9 HIS CG C -5.414 -1.494 -2.141 . . . 1.0 . . . . . . . . . . . . A . 9 HIS CG . . . . . . . . . rr_2mce 1
. 3 . 742 . 1 1 9 HIS H H -5.017 1.778 -0.888 . . . 1.0 . . . . . . . . . . . . A . 9 HIS H . . . . . . . . . rr_2mce 1
. 3 . 743 . 1 1 9 HIS HA H -3.483 -0.571 -0.841 . . . 1.0 . . . . . . . . . . . . A . 9 HIS HA . . . . . . . . . rr_2mce 1
. 3 . 744 . 1 1 9 HIS HB2 H -5.604 0.607 -2.429 . . . 1.0 . . . . . . . . . . . . A . 9 HIS HB2 . . . . . . . . . rr_2mce 1
. 3 . 745 . 1 1 9 HIS HB3 H -4.417 -0.158 -3.466 . . . 1.0 . . . . . . . . . . . . A . 9 HIS HB3 . . . . . . . . . rr_2mce 1
. 3 . 746 . 1 1 9 HIS HD1 H -5.756 -1.294 -0.049 . . . 1.0 . . . . . . . . . . . . A . 9 HIS HD1 . . . . . . . . . rr_2mce 1
. 3 . 747 . 1 1 9 HIS HD2 H -5.481 -2.609 -4.023 . . . 1.0 . . . . . . . . . . . . A . 9 HIS HD2 . . . . . . . . . rr_2mce 1
. 3 . 748 . 1 1 9 HIS HE1 H -6.695 -3.666 -0.083 . . . 1.0 . . . . . . . . . . . . A . 9 HIS HE1 . . . . . . . . . rr_2mce 1
. 3 . 749 . 1 1 9 HIS N N -4.149 1.357 -0.625 . . . 1.0 . . . . . . . . . . . . A . 9 HIS N . . . . . . . . . rr_2mce 1
. 3 . 750 . 1 1 9 HIS ND1 N -5.818 -1.862 -0.869 . . . 1.0 . . . . . . . . . . . . A . 9 HIS ND1 . . . . . . . . . rr_2mce 1
. 3 . 751 . 1 1 9 HIS NE2 N -6.210 -3.527 -2.214 . . . 1.0 . . . . . . . . . . . . A . 9 HIS NE2 . . . . . . . . . rr_2mce 1
. 3 . 752 . 1 1 9 HIS O O -1.647 -0.151 -2.653 . . . 1.0 . . . . . . . . . . . . A . 9 HIS O . . . . . . . . . rr_2mce 1
. 3 . 753 . 1 1 10 LYS C C 0.177 2.263 -2.117 . . . 1.0 . . . . . . . . . . . . A . 10 LYS C . . . . . . . . . rr_2mce 1
. 3 . 754 . 1 1 10 LYS CA C -1.060 2.547 -2.971 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CA . . . . . . . . . rr_2mce 1
. 3 . 755 . 1 1 10 LYS CB C -1.260 4.030 -3.290 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CB . . . . . . . . . rr_2mce 1
. 3 . 756 . 1 1 10 LYS CD C 0.461 5.247 -1.908 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CD . . . . . . . . . rr_2mce 1
. 3 . 757 . 1 1 10 LYS CE C 0.637 6.632 -1.282 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CE . . . . . . . . . rr_2mce 1
. 3 . 758 . 1 1 10 LYS CG C -1.020 4.894 -2.051 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CG . . . . . . . . . rr_2mce 1
. 3 . 759 . 1 1 10 LYS H H -2.868 2.688 -1.948 . . . 1.0 . . . . . . . . . . . . A . 10 LYS H . . . . . . . . . rr_2mce 1
. 3 . 760 . 1 1 10 LYS HA H -0.951 2.025 -3.922 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HA . . . . . . . . . rr_2mce 1
. 3 . 761 . 1 1 10 LYS HB2 H -0.579 4.331 -4.086 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HB2 . . . . . . . . . rr_2mce 1
. 3 . 762 . 1 1 10 LYS HB3 H -2.273 4.192 -3.660 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HB3 . . . . . . . . . rr_2mce 1
. 3 . 763 . 1 1 10 LYS HD2 H 0.960 4.500 -1.291 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HD2 . . . . . . . . . rr_2mce 1
. 3 . 764 . 1 1 10 LYS HD3 H 0.941 5.224 -2.886 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HD3 . . . . . . . . . rr_2mce 1
. 3 . 765 . 1 1 10 LYS HE2 H -0.309 7.174 -1.309 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HE2 . . . . . . . . . rr_2mce 1
. 3 . 766 . 1 1 10 LYS HE3 H 0.915 6.531 -0.233 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HE3 . . . . . . . . . rr_2mce 1
. 3 . 767 . 1 1 10 LYS HG2 H -1.610 5.808 -2.120 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HG2 . . . . . . . . . rr_2mce 1
. 3 . 768 . 1 1 10 LYS HG3 H -1.359 4.363 -1.162 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HG3 . . . . . . . . . rr_2mce 1
. 3 . 769 . 1 1 10 LYS HZ1 H 1.323 7.800 -2.866 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HZ1 . . . . . . . . . rr_2mce 1
. 3 . 770 . 1 1 10 LYS HZ3 H 2.471 6.822 -2.252 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HZ3 . . . . . . . . . rr_2mce 1
. 3 . 771 . 1 1 10 LYS N N -2.235 2.005 -2.310 . . . 1.0 . . . . . . . . . . . . A . 10 LYS N . . . . . . . . . rr_2mce 1
. 3 . 772 . 1 1 10 LYS NZ N 1.676 7.400 -2.003 . . . 1.0 . . . . . . . . . . . . A . 10 LYS NZ . . . . . . . . . rr_2mce 1
. 3 . 773 . 1 1 10 LYS O O 1.304 2.345 -2.603 . . . 1.0 . . . . . . . . . . . . A . 10 LYS O . . . . . . . . . rr_2mce 1
. 3 . 774 . 1 1 11 ARG C C 1.533 0.223 -0.167 . . . 1.0 . . . . . . . . . . . . A . 11 ARG C . . . . . . . . . rr_2mce 1
. 3 . 775 . 1 1 11 ARG CA C 1.005 1.640 0.069 . . . 1.0 . . . . . . . . . . . . A . 11 ARG CA . . . . . . . . . rr_2mce 1
. 3 . 776 . 1 1 11 ARG CB C 0.536 1.767 1.519 . . . 1.0 . . . . . . . . . . . . A . 11 ARG CB . . . . . . . . . rr_2mce 1
. 3 . 777 . 1 1 11 ARG CD C 0.021 3.549 3.227 . . . 1.0 . . . . . . . . . . . . A . 11 ARG CD . . . . . . . . . rr_2mce 1
. 3 . 778 . 1 1 11 ARG CG C -0.123 3.127 1.765 . . . 1.0 . . . . . . . . . . . . A . 11 ARG CG . . . . . . . . . rr_2mce 1
. 3 . 779 . 1 1 11 ARG CZ C 1.765 5.282 2.772 . . . 1.0 . . . . . . . . . . . . A . 11 ARG CZ . . . . . . . . . rr_2mce 1
. 3 . 780 . 1 1 11 ARG H H -0.994 1.871 -0.470 . . . 1.0 . . . . . . . . . . . . A . 11 ARG H . . . . . . . . . rr_2mce 1
. 3 . 781 . 1 1 11 ARG HA H 1.771 2.384 -0.149 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HA . . . . . . . . . rr_2mce 1
. 3 . 782 . 1 1 11 ARG HB2 H -0.170 0.970 1.749 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HB2 . . . . . . . . . rr_2mce 1
. 3 . 783 . 1 1 11 ARG HB3 H 1.385 1.644 2.192 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HB3 . . . . . . . . . rr_2mce 1
. 3 . 784 . 1 1 11 ARG HD2 H -0.950 3.516 3.722 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HD2 . . . . . . . . . rr_2mce 1
. 3 . 785 . 1 1 11 ARG HD3 H 0.671 2.852 3.755 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HD3 . . . . . . . . . rr_2mce 1
. 3 . 786 . 1 1 11 ARG HE H 0.048 5.616 3.785 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HE . . . . . . . . . rr_2mce 1
. 3 . 787 . 1 1 11 ARG HG2 H 0.332 3.877 1.119 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HG2 . . . . . . . . . rr_2mce 1
. 3 . 788 . 1 1 11 ARG HG3 H -1.179 3.075 1.499 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HG3 . . . . . . . . . rr_2mce 1
. 3 . 789 . 1 1 11 ARG HH11 H 2.214 3.437 2.020 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HH11 . . . . . . . . . rr_2mce 1
. 3 . 790 . 1 1 11 ARG HH12 H 3.403 4.661 1.721 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HH12 . . . . . . . . . rr_2mce 1
. 3 . 791 . 1 1 11 ARG HH22 H 3.030 6.884 2.537 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HH22 . . . . . . . . . rr_2mce 1
. 3 . 792 . 1 1 11 ARG N N -0.075 1.936 -0.858 . . . 1.0 . . . . . . . . . . . . A . 11 ARG N . . . . . . . . . rr_2mce 1
. 3 . 793 . 1 1 11 ARG NE N 0.581 4.917 3.307 . . . 1.0 . . . . . . . . . . . . A . 11 ARG NE . . . . . . . . . rr_2mce 1
. 3 . 794 . 1 1 11 ARG NH1 N 2.527 4.382 2.115 . . . 1.0 . . . . . . . . . . . . A . 11 ARG NH1 . . . . . . . . . rr_2mce 1
. 3 . 795 . 1 1 11 ARG NH2 N 2.168 6.533 2.902 . . . 1.0 . . . . . . . . . . . . A . 11 ARG NH2 . . . . . . . . . rr_2mce 1
. 3 . 796 . 1 1 11 ARG O O 2.442 -0.228 0.528 . . . 1.0 . . . . . . . . . . . . A . 11 ARG O . . . . . . . . . rr_2mce 1
. 3 . 797 . 1 1 12 HIS C C 2.774 -1.794 -2.011 . . . 1.0 . . . . . . . . . . . . A . 12 HIS C . . . . . . . . . rr_2mce 1
. 3 . 798 . 1 1 12 HIS CA C 1.338 -1.796 -1.483 . . . 1.0 . . . . . . . . . . . . A . 12 HIS CA . . . . . . . . . rr_2mce 1
. 3 . 799 . 1 1 12 HIS CB C 0.348 -2.427 -2.466 . . . 1.0 . . . . . . . . . . . . A . 12 HIS CB . . . . . . . . . rr_2mce 1
. 3 . 800 . 1 1 12 HIS CD2 C -1.753 -3.942 -2.116 . . . 1.0 . . . . . . . . . . . . A . 12 HIS CD2 . . . . . . . . . rr_2mce 1
. 3 . 801 . 1 1 12 HIS CE1 C -2.639 -2.862 -0.431 . . . 1.0 . . . . . . . . . . . . A . 12 HIS CE1 . . . . . . . . . rr_2mce 1
. 3 . 802 . 1 1 12 HIS CG C -0.942 -2.884 -1.827 . . . 1.0 . . . . . . . . . . . . A . 12 HIS CG . . . . . . . . . rr_2mce 1
. 3 . 803 . 1 1 12 HIS H H 0.200 -0.066 -1.708 . . . 1.0 . . . . . . . . . . . . A . 12 HIS H . . . . . . . . . rr_2mce 1
. 3 . 804 . 1 1 12 HIS HA H 1.301 -2.371 -0.559 . . . 1.0 . . . . . . . . . . . . A . 12 HIS HA . . . . . . . . . rr_2mce 1
. 3 . 805 . 1 1 12 HIS HB2 H 0.118 -1.704 -3.248 . . . 1.0 . . . . . . . . . . . . A . 12 HIS HB2 . . . . . . . . . rr_2mce 1
. 3 . 806 . 1 1 12 HIS HB3 H 0.824 -3.280 -2.948 . . . 1.0 . . . . . . . . . . . . A . 12 HIS HB3 . . . . . . . . . rr_2mce 1
. 3 . 807 . 1 1 12 HIS HD1 H -1.170 -1.401 -0.316 . . . 1.0 . . . . . . . . . . . . A . 12 HIS HD1 . . . . . . . . . rr_2mce 1
. 3 . 808 . 1 1 12 HIS HD2 H -1.588 -4.674 -2.906 . . . 1.0 . . . . . . . . . . . . A . 12 HIS HD2 . . . . . . . . . rr_2mce 1
. 3 . 809 . 1 1 12 HIS HE1 H -3.323 -2.586 0.371 . . . 1.0 . . . . . . . . . . . . A . 12 HIS HE1 . . . . . . . . . rr_2mce 1
. 3 . 810 . 1 1 12 HIS N N 0.939 -0.440 -1.149 . . . 1.0 . . . . . . . . . . . . A . 12 HIS N . . . . . . . . . rr_2mce 1
. 3 . 811 . 1 1 12 HIS ND1 N -1.527 -2.222 -0.761 . . . 1.0 . . . . . . . . . . . . A . 12 HIS ND1 . . . . . . . . . rr_2mce 1
. 3 . 812 . 1 1 12 HIS NE2 N -2.777 -3.928 -1.271 . . . 1.0 . . . . . . . . . . . . A . 12 HIS NE2 . . . . . . . . . rr_2mce 1
. 3 . 813 . 1 1 12 HIS O O 3.446 -2.824 -2.000 . . . 1.0 . . . . . . . . . . . . A . 12 HIS O . . . . . . . . . rr_2mce 1
. 3 . 814 . 1 1 13 LYS C C 5.563 -0.716 -1.872 . . . 1.0 . . . . . . . . . . . . A . 13 LYS C . . . . . . . . . rr_2mce 1
. 3 . 815 . 1 1 13 LYS CA C 4.548 -0.472 -2.990 . . . 1.0 . . . . . . . . . . . . A . 13 LYS CA . . . . . . . . . rr_2mce 1
. 3 . 816 . 1 1 13 LYS CB C 4.704 0.886 -3.677 . . . 1.0 . . . . . . . . . . . . A . 13 LYS CB . . . . . . . . . rr_2mce 1
. 3 . 817 . 1 1 13 LYS CD C 5.510 3.164 -2.952 . . . 1.0 . . . . . . . . . . . . A . 13 LYS CD . . . . . . . . . rr_2mce 1
. 3 . 818 . 1 1 13 LYS CE C 6.429 3.392 -1.751 . . . 1.0 . . . . . . . . . . . . A . 13 LYS CE . . . . . . . . . rr_2mce 1
. 3 . 819 . 1 1 13 LYS CG C 4.520 2.030 -2.677 . . . 1.0 . . . . . . . . . . . . A . 13 LYS CG . . . . . . . . . rr_2mce 1
. 3 . 820 . 1 1 13 LYS H H 2.651 0.211 -2.465 . . . 1.0 . . . . . . . . . . . . A . 13 LYS H . . . . . . . . . rr_2mce 1
. 3 . 821 . 1 1 13 LYS HA H 4.686 -1.237 -3.754 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HA . . . . . . . . . rr_2mce 1
. 3 . 822 . 1 1 13 LYS HB2 H 5.690 0.956 -4.135 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HB2 . . . . . . . . . rr_2mce 1
. 3 . 823 . 1 1 13 LYS HB3 H 3.973 0.979 -4.480 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HB3 . . . . . . . . . rr_2mce 1
. 3 . 824 . 1 1 13 LYS HD2 H 6.107 2.925 -3.832 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HD2 . . . . . . . . . rr_2mce 1
. 3 . 825 . 1 1 13 LYS HD3 H 4.964 4.081 -3.177 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HD3 . . . . . . . . . rr_2mce 1
. 3 . 826 . 1 1 13 LYS HE2 H 5.835 3.658 -0.876 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HE2 . . . . . . . . . rr_2mce 1
. 3 . 827 . 1 1 13 LYS HE3 H 6.957 2.470 -1.510 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HE3 . . . . . . . . . rr_2mce 1
. 3 . 828 . 1 1 13 LYS HG2 H 3.500 2.410 -2.738 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HG2 . . . . . . . . . rr_2mce 1
. 3 . 829 . 1 1 13 LYS HG3 H 4.660 1.657 -1.663 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HG3 . . . . . . . . . rr_2mce 1
. 3 . 830 . 1 1 13 LYS HZ1 H 8.324 4.099 -2.253 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HZ1 . . . . . . . . . rr_2mce 1
. 3 . 831 . 1 1 13 LYS HZ3 H 7.514 5.103 -1.258 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HZ3 . . . . . . . . . rr_2mce 1
. 3 . 832 . 1 1 13 LYS N N 3.204 -0.622 -2.460 . . . 1.0 . . . . . . . . . . . . A . 13 LYS N . . . . . . . . . rr_2mce 1
. 3 . 833 . 1 1 13 LYS NZ N 7.404 4.468 -2.042 . . . 1.0 . . . . . . . . . . . . A . 13 LYS NZ . . . . . . . . . rr_2mce 1
. 3 . 834 . 1 1 13 LYS O O 6.711 -1.069 -2.137 . . . 1.0 . . . . . . . . . . . . A . 13 LYS O . . . . . . . . . rr_2mce 1
. 3 . 835 . 1 1 14 THR C C 6.159 -2.205 0.784 . . . 1.0 . . . . . . . . . . . . A . 14 THR C . . . . . . . . . rr_2mce 1
. 3 . 836 . 1 1 14 THR CA C 5.957 -0.713 0.514 . . . 1.0 . . . . . . . . . . . . A . 14 THR CA . . . . . . . . . rr_2mce 1
. 3 . 837 . 1 1 14 THR CB C 5.333 0.038 1.692 . . . 1.0 . . . . . . . . . . . . A . 14 THR CB . . . . . . . . . rr_2mce 1
. 3 . 838 . 1 1 14 THR CG2 C 6.050 -0.245 3.013 . . . 1.0 . . . . . . . . . . . . A . 14 THR CG2 . . . . . . . . . rr_2mce 1
. 3 . 839 . 1 1 14 THR H H 4.168 -0.231 -0.438 . . . 1.0 . . . . . . . . . . . . A . 14 THR H . . . . . . . . . rr_2mce 1
. 3 . 840 . 1 1 14 THR HA H 6.938 -0.293 0.293 . . . 1.0 . . . . . . . . . . . . A . 14 THR HA . . . . . . . . . rr_2mce 1
. 3 . 841 . 1 1 14 THR HB H 4.268 -0.180 1.772 . . . 1.0 . . . . . . . . . . . . A . 14 THR HB . . . . . . . . . rr_2mce 1
. 3 . 842 . 1 1 14 THR HG1 H 6.592 1.512 1.196 . . . 1.0 . . . . . . . . . . . . A . 14 THR HG1 . . . . . . . . . rr_2mce 1
. 3 . 843 . 1 1 14 THR HG21 H 7.083 0.098 2.946 . . . 1.0 . . . . . . . . . . . . A . 14 THR HG21 . . . . . . . . . rr_2mce 1
. 3 . 844 . 1 1 14 THR HG22 H 5.545 0.283 3.822 . . . 1.0 . . . . . . . . . . . . A . 14 THR HG22 . . . . . . . . . rr_2mce 1
. 3 . 845 . 1 1 14 THR HG23 H 6.034 -1.316 3.213 . . . 1.0 . . . . . . . . . . . . A . 14 THR HG23 . . . . . . . . . rr_2mce 1
. 3 . 846 . 1 1 14 THR N N 5.103 -0.519 -0.645 . . . 1.0 . . . . . . . . . . . . A . 14 THR N . . . . . . . . . rr_2mce 1
. 3 . 847 . 1 1 14 THR O O 7.147 -2.600 1.399 . . . 1.0 . . . . . . . . . . . . A . 14 THR O . . . . . . . . . rr_2mce 1
. 3 . 848 . 1 1 14 THR OG1 O 5.625 1.407 1.425 . . . 1.0 . . . . . . . . . . . . A . 14 THR OG1 . . . . . . . . . rr_2mce 1
. 3 . 849 . 1 1 15 ASP C C 6.309 -5.021 -0.459 . . . 1.0 . . . . . . . . . . . . A . 15 ASP C . . . . . . . . . rr_2mce 1
. 3 . 850 . 1 1 15 ASP CA C 5.265 -4.434 0.493 . . . 1.0 . . . . . . . . . . . . A . 15 ASP CA . . . . . . . . . rr_2mce 1
. 3 . 851 . 1 1 15 ASP CB C 3.918 -5.086 0.177 . . . 1.0 . . . . . . . . . . . . A . 15 ASP CB . . . . . . . . . rr_2mce 1
. 3 . 852 . 1 1 15 ASP CG C 2.872 -4.983 1.289 . . . 1.0 . . . . . . . . . . . . A . 15 ASP CG . . . . . . . . . rr_2mce 1
. 3 . 853 . 1 1 15 ASP H H 4.403 -2.664 -0.189 . . . 1.0 . . . . . . . . . . . . A . 15 ASP H . . . . . . . . . rr_2mce 1
. 3 . 854 . 1 1 15 ASP HA H 5.527 -4.580 1.540 . . . 1.0 . . . . . . . . . . . . A . 15 ASP HA . . . . . . . . . rr_2mce 1
. 3 . 855 . 1 1 15 ASP HB2 H 3.512 -4.629 -0.726 . . . 1.0 . . . . . . . . . . . . A . 15 ASP HB2 . . . . . . . . . rr_2mce 1
. 3 . 856 . 1 1 15 ASP HB3 H 4.085 -6.140 -0.048 . . . 1.0 . . . . . . . . . . . . A . 15 ASP HB3 . . . . . . . . . rr_2mce 1
. 3 . 857 . 1 1 15 ASP HD2 H 0.990 -4.940 1.311 . . . 1.0 . . . . . . . . . . . . A . 15 ASP HD2 . . . . . . . . . rr_2mce 1
. 3 . 858 . 1 1 15 ASP N N 5.205 -2.993 0.311 . . . 1.0 . . . . . . . . . . . . A . 15 ASP N . . . . . . . . . rr_2mce 1
. 3 . 859 . 1 1 15 ASP O O 6.903 -6.059 -0.172 . . . 1.0 . . . . . . . . . . . . A . 15 ASP O . . . . . . . . . rr_2mce 1
. 3 . 860 . 1 1 15 ASP OD1 O 3.106 -5.416 2.427 . . . 1.0 . . . . . . . . . . . . A . 15 ASP OD1 . . . . . . . . . rr_2mce 1
. 3 . 861 . 1 1 15 ASP OD2 O 1.763 -4.423 0.945 . . . 1.0 . . . . . . . . . . . . A . 15 ASP OD2 . . . . . . . . . rr_2mce 1
. 3 . 862 . 1 1 16 SER C C 8.886 -4.480 -2.087 . . . 1.0 . . . . . . . . . . . . A . 16 SER C . . . . . . . . . rr_2mce 1
. 3 . 863 . 1 1 16 SER CA C 7.464 -4.770 -2.569 . . . 1.0 . . . . . . . . . . . . A . 16 SER CA . . . . . . . . . rr_2mce 1
. 3 . 864 . 1 1 16 SER CB C 7.212 -4.090 -3.917 . . . 1.0 . . . . . . . . . . . . A . 16 SER CB . . . . . . . . . rr_2mce 1
. 3 . 865 . 1 1 16 SER H H 6.015 -3.486 -1.800 . . . 1.0 . . . . . . . . . . . . A . 16 SER H . . . . . . . . . rr_2mce 1
. 3 . 866 . 1 1 16 SER HA H 7.306 -5.844 -2.669 . . . 1.0 . . . . . . . . . . . . A . 16 SER HA . . . . . . . . . rr_2mce 1
. 3 . 867 . 1 1 16 SER HB2 H 6.351 -3.427 -3.833 . . . 1.0 . . . . . . . . . . . . A . 16 SER HB2 . . . . . . . . . rr_2mce 1
. 3 . 868 . 1 1 16 SER HB3 H 8.069 -3.469 -4.176 . . . 1.0 . . . . . . . . . . . . A . 16 SER HB3 . . . . . . . . . rr_2mce 1
. 3 . 869 . 1 1 16 SER HG H 7.039 -4.587 -5.848 . . . 1.0 . . . . . . . . . . . . A . 16 SER HG . . . . . . . . . rr_2mce 1
. 3 . 870 . 1 1 16 SER N N 6.502 -4.330 -1.573 . . . 1.0 . . . . . . . . . . . . A . 16 SER N . . . . . . . . . rr_2mce 1
. 3 . 871 . 1 1 16 SER O O 9.842 -5.103 -2.546 . . . 1.0 . . . . . . . . . . . . A . 16 SER O . . . . . . . . . rr_2mce 1
. 3 . 872 . 1 1 16 SER OG O 6.982 -5.037 -4.957 . . . 1.0 . . . . . . . . . . . . A . 16 SER OG . . . . . . . . . rr_2mce 1
. 3 . 873 . 1 1 17 PHE C C 10.782 -4.206 0.370 . . . 1.0 . . . . . . . . . . . . A . 17 PHE C . . . . . . . . . rr_2mce 1
. 3 . 874 . 1 1 17 PHE CA C 10.273 -3.151 -0.615 . . . 1.0 . . . . . . . . . . . . A . 17 PHE CA . . . . . . . . . rr_2mce 1
. 3 . 875 . 1 1 17 PHE CB C 10.068 -1.832 0.132 . . . 1.0 . . . . . . . . . . . . A . 17 PHE CB . . . . . . . . . rr_2mce 1
. 3 . 876 . 1 1 17 PHE CD1 C 9.889 -0.413 -1.925 . . . 1.0 . . . . . . . . . . . . A . 17 PHE CD1 . . . . . . . . . rr_2mce 1
. 3 . 877 . 1 1 17 PHE CD2 C 11.286 0.334 -0.181 . . . 1.0 . . . . . . . . . . . . A . 17 PHE CD2 . . . . . . . . . rr_2mce 1
. 3 . 878 . 1 1 17 PHE CE1 C 10.222 0.738 -2.686 . . . 1.0 . . . . . . . . . . . . A . 17 PHE CE1 . . . . . . . . . rr_2mce 1
. 3 . 879 . 1 1 17 PHE CE2 C 11.620 1.486 -0.943 . . . 1.0 . . . . . . . . . . . . A . 17 PHE CE2 . . . . . . . . . rr_2mce 1
. 3 . 880 . 1 1 17 PHE CG C 10.428 -0.591 -0.689 . . . 1.0 . . . . . . . . . . . . A . 17 PHE CG . . . . . . . . . rr_2mce 1
. 3 . 881 . 1 1 17 PHE CZ C 11.081 1.663 -2.179 . . . 1.0 . . . . . . . . . . . . A . 17 PHE CZ . . . . . . . . . rr_2mce 1
. 3 . 882 . 1 1 17 PHE H H 8.201 -3.029 -0.796 . . . 1.0 . . . . . . . . . . . . A . 17 PHE H . . . . . . . . . rr_2mce 1
. 3 . 883 . 1 1 17 PHE HA H 10.969 -3.069 -1.450 . . . 1.0 . . . . . . . . . . . . A . 17 PHE HA . . . . . . . . . rr_2mce 1
. 3 . 884 . 1 1 17 PHE HB2 H 9.026 -1.760 0.443 . . . 1.0 . . . . . . . . . . . . A . 17 PHE HB2 . . . . . . . . . rr_2mce 1
. 3 . 885 . 1 1 17 PHE HB3 H 10.672 -1.842 1.040 . . . 1.0 . . . . . . . . . . . . A . 17 PHE HB3 . . . . . . . . . rr_2mce 1
. 3 . 886 . 1 1 17 PHE HD1 H 9.201 -1.154 -2.331 . . . 1.0 . . . . . . . . . . . . A . 17 PHE HD1 . . . . . . . . . rr_2mce 1
. 3 . 887 . 1 1 17 PHE HD2 H 11.718 0.192 0.809 . . . 1.0 . . . . . . . . . . . . A . 17 PHE HD2 . . . . . . . . . rr_2mce 1
. 3 . 888 . 1 1 17 PHE HE1 H 9.792 0.881 -3.677 . . . 1.0 . . . . . . . . . . . . A . 17 PHE HE1 . . . . . . . . . rr_2mce 1
. 3 . 889 . 1 1 17 PHE HE2 H 12.308 2.227 -0.537 . . . 1.0 . . . . . . . . . . . . A . 17 PHE HE2 . . . . . . . . . rr_2mce 1
. 3 . 890 . 1 1 17 PHE HZ H 11.338 2.547 -2.764 . . . 1.0 . . . . . . . . . . . . A . 17 PHE HZ . . . . . . . . . rr_2mce 1
. 3 . 891 . 1 1 17 PHE N N 8.983 -3.532 -1.165 . . . 1.0 . . . . . . . . . . . . A . 17 PHE N . . . . . . . . . rr_2mce 1
. 3 . 892 . 1 1 17 PHE O O 11.983 -4.300 0.617 . . . 1.0 . . . . . . . . . . . . A . 17 PHE O . . . . . . . . . rr_2mce 1
. 3 . 893 . 1 1 18 VAL C C 10.829 -7.189 1.110 . . . 1.0 . . . . . . . . . . . . A . 18 VAL C . . . . . . . . . rr_2mce 1
. 3 . 894 . 1 1 18 VAL CA C 10.182 -6.019 1.854 . . . 1.0 . . . . . . . . . . . . A . 18 VAL CA . . . . . . . . . rr_2mce 1
. 3 . 895 . 1 1 18 VAL CB C 8.939 -6.428 2.647 . . . 1.0 . . . . . . . . . . . . A . 18 VAL CB . . . . . . . . . rr_2mce 1
. 3 . 896 . 1 1 18 VAL CG1 C 9.319 -7.266 3.869 . . . 1.0 . . . . . . . . . . . . A . 18 VAL CG1 . . . . . . . . . rr_2mce 1
. 3 . 897 . 1 1 18 VAL CG2 C 8.121 -5.201 3.055 . . . 1.0 . . . . . . . . . . . . A . 18 VAL CG2 . . . . . . . . . rr_2mce 1
. 3 . 898 . 1 1 18 VAL H H 8.869 -4.891 0.695 . . . 1.0 . . . . . . . . . . . . A . 18 VAL H . . . . . . . . . rr_2mce 1
. 3 . 899 . 1 1 18 VAL HA H 10.907 -5.603 2.554 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HA . . . . . . . . . rr_2mce 1
. 3 . 900 . 1 1 18 VAL HB H 8.316 -7.045 1.998 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HB . . . . . . . . . rr_2mce 1
. 3 . 901 . 1 1 18 VAL HG11 H 9.716 -8.227 3.542 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HG11 . . . . . . . . . rr_2mce 1
. 3 . 902 . 1 1 18 VAL HG12 H 10.077 -6.739 4.449 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HG12 . . . . . . . . . rr_2mce 1
. 3 . 903 . 1 1 18 VAL HG13 H 8.436 -7.428 4.488 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HG13 . . . . . . . . . rr_2mce 1
. 3 . 904 . 1 1 18 VAL HG21 H 7.816 -5.299 4.098 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HG21 . . . . . . . . . rr_2mce 1
. 3 . 905 . 1 1 18 VAL HG22 H 8.728 -4.304 2.938 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HG22 . . . . . . . . . rr_2mce 1
. 3 . 906 . 1 1 18 VAL HG23 H 7.237 -5.128 2.423 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HG23 . . . . . . . . . rr_2mce 1
. 3 . 907 . 1 1 18 VAL N N 9.843 -4.974 0.903 . . . 1.0 . . . . . . . . . . . . A . 18 VAL N . . . . . . . . . rr_2mce 1
. 3 . 908 . 1 1 18 VAL O O 11.666 -7.897 1.669 . . . 1.0 . . . . . . . . . . . . A . 18 VAL O . . . . . . . . . rr_2mce 1
. 3 . 909 . 1 1 19 GLY C C 12.254 -8.007 -1.638 . . . 1.0 . . . . . . . . . . . . A . 19 GLY C . . . . . . . . . rr_2mce 1
. 3 . 910 . 1 1 19 GLY CA C 10.947 -8.428 -0.963 . . . 1.0 . . . . . . . . . . . . A . 19 GLY CA . . . . . . . . . rr_2mce 1
. 3 . 911 . 1 1 19 GLY H H 9.736 -6.776 -0.585 . . . 1.0 . . . . . . . . . . . . A . 19 GLY H . . . . . . . . . rr_2mce 1
. 3 . 912 . 1 1 19 GLY HA2 H 11.117 -9.313 -0.351 . . . 1.0 . . . . . . . . . . . . A . 19 GLY HA2 . . . . . . . . . rr_2mce 1
. 3 . 913 . 1 1 19 GLY HA3 H 10.214 -8.704 -1.722 . . . 1.0 . . . . . . . . . . . . A . 19 GLY HA3 . . . . . . . . . rr_2mce 1
. 3 . 914 . 1 1 19 GLY N N 10.417 -7.356 -0.138 . . . 1.0 . . . . . . . . . . . . A . 19 GLY N . . . . . . . . . rr_2mce 1
. 3 . 915 . 1 1 19 GLY O O 12.864 -8.792 -2.361 . . . 1.0 . . . . . . . . . . . . A . 19 GLY O . . . . . . . . . rr_2mce 1
. 3 . 916 . 1 1 20 LEU C C 15.038 -6.524 -1.003 . . . 1.0 . . . . . . . . . . . . A . 20 LEU C . . . . . . . . . rr_2mce 1
. 3 . 917 . 1 1 20 LEU CA C 13.869 -6.234 -1.948 . . . 1.0 . . . . . . . . . . . . A . 20 LEU CA . . . . . . . . . rr_2mce 1
. 3 . 918 . 1 1 20 LEU CB C 13.701 -4.750 -2.280 . . . 1.0 . . . . . . . . . . . . A . 20 LEU CB . . . . . . . . . rr_2mce 1
. 3 . 919 . 1 1 20 LEU CD1 C 12.673 -4.899 -4.577 . . . 1.0 . . . . . . . . . . . . A . 20 LEU CD1 . . . . . . . . . rr_2mce 1
. 3 . 920 . 1 1 20 LEU CD2 C 14.033 -2.862 -3.919 . . . 1.0 . . . . . . . . . . . . A . 20 LEU CD2 . . . . . . . . . rr_2mce 1
. 3 . 921 . 1 1 20 LEU CG C 13.851 -4.373 -3.755 . . . 1.0 . . . . . . . . . . . . A . 20 LEU CG . . . . . . . . . rr_2mce 1
. 3 . 922 . 1 1 20 LEU H H 12.143 -6.137 -0.785 . . . 1.0 . . . . . . . . . . . . A . 20 LEU H . . . . . . . . . rr_2mce 1
. 3 . 923 . 1 1 20 LEU HA H 14.046 -6.757 -2.887 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HA . . . . . . . . . rr_2mce 1
. 3 . 924 . 1 1 20 LEU HB2 H 12.715 -4.432 -1.942 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HB2 . . . . . . . . . rr_2mce 1
. 3 . 925 . 1 1 20 LEU HB3 H 14.434 -4.184 -1.705 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HB3 . . . . . . . . . rr_2mce 1
. 3 . 926 . 1 1 20 LEU HD11 H 12.495 -4.235 -5.424 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HD11 . . . . . . . . . rr_2mce 1
. 3 . 927 . 1 1 20 LEU HD12 H 12.905 -5.900 -4.944 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HD12 . . . . . . . . . rr_2mce 1
. 3 . 928 . 1 1 20 LEU HD13 H 11.782 -4.939 -3.952 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HD13 . . . . . . . . . rr_2mce 1
. 3 . 929 . 1 1 20 LEU HD21 H 14.962 -2.555 -3.438 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HD21 . . . . . . . . . rr_2mce 1
. 3 . 930 . 1 1 20 LEU HD22 H 14.074 -2.614 -4.980 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HD22 . . . . . . . . . rr_2mce 1
. 3 . 931 . 1 1 20 LEU HD23 H 13.195 -2.342 -3.455 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HD23 . . . . . . . . . rr_2mce 1
. 3 . 932 . 1 1 20 LEU HG H 14.752 -4.850 -4.140 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HG . . . . . . . . . rr_2mce 1
. 3 . 933 . 1 1 20 LEU N N 12.646 -6.769 -1.375 . . . 1.0 . . . . . . . . . . . . A . 20 LEU N . . . . . . . . . rr_2mce 1
. 3 . 934 . 1 1 20 LEU O O 16.190 -6.568 -1.432 . . . 1.0 . . . . . . . . . . . . A . 20 LEU O . . . . . . . . . rr_2mce 1
. 3 . 935 . 1 1 21 MET C C 16.290 -8.400 1.085 . . . 1.0 . . . . . . . . . . . . A . 21 MET C . . . . . . . . . rr_2mce 1
. 3 . 936 . 1 1 21 MET CA C 15.707 -6.998 1.272 . . . 1.0 . . . . . . . . . . . . A . 21 MET CA . . . . . . . . . rr_2mce 1
. 3 . 937 . 1 1 21 MET CB C 15.081 -6.887 2.664 . . . 1.0 . . . . . . . . . . . . A . 21 MET CB . . . . . . . . . rr_2mce 1
. 3 . 938 . 1 1 21 MET CE C 17.663 -7.682 4.783 . . . 1.0 . . . . . . . . . . . . A . 21 MET CE . . . . . . . . . rr_2mce 1
. 3 . 939 . 1 1 21 MET CG C 15.911 -5.970 3.566 . . . 1.0 . . . . . . . . . . . . A . 21 MET CG . . . . . . . . . rr_2mce 1
. 3 . 940 . 1 1 21 MET H H 13.760 -6.675 0.604 . . . 1.0 . . . . . . . . . . . . A . 21 MET H . . . . . . . . . rr_2mce 1
. 3 . 941 . 1 1 21 MET HA H 16.487 -6.249 1.127 . . . 1.0 . . . . . . . . . . . . A . 21 MET HA . . . . . . . . . rr_2mce 1
. 3 . 942 . 1 1 21 MET HB2 H 14.067 -6.499 2.581 . . . 1.0 . . . . . . . . . . . . A . 21 MET HB2 . . . . . . . . . rr_2mce 1
. 3 . 943 . 1 1 21 MET HB3 H 15.009 -7.877 3.114 . . . 1.0 . . . . . . . . . . . . A . 21 MET HB3 . . . . . . . . . rr_2mce 1
. 3 . 944 . 1 1 21 MET HE1 H 17.813 -8.442 5.550 . . . 1.0 . . . . . . . . . . . . A . 21 MET HE1 . . . . . . . . . rr_2mce 1
. 3 . 945 . 1 1 21 MET HE2 H 17.559 -8.164 3.810 . . . 1.0 . . . . . . . . . . . . A . 21 MET HE2 . . . . . . . . . rr_2mce 1
. 3 . 946 . 1 1 21 MET HE3 H 18.519 -7.008 4.764 . . . 1.0 . . . . . . . . . . . . A . 21 MET HE3 . . . . . . . . . rr_2mce 1
. 3 . 947 . 1 1 21 MET HG2 H 16.866 -5.747 3.093 . . . 1.0 . . . . . . . . . . . . A . 21 MET HG2 . . . . . . . . . rr_2mce 1
. 3 . 948 . 1 1 21 MET HG3 H 15.395 -5.020 3.706 . . . 1.0 . . . . . . . . . . . . A . 21 MET HG3 . . . . . . . . . rr_2mce 1
. 3 . 949 . 1 1 21 MET N N 14.701 -6.713 0.264 . . . 1.0 . . . . . . . . . . . . A . 21 MET N . . . . . . . . . rr_2mce 1
. 3 . 950 . 1 1 21 MET O O 17.504 -8.560 0.971 . . . 1.0 . . . . . . . . . . . . A . 21 MET O . . . . . . . . . rr_2mce 1
. 3 . 951 . 1 1 21 MET SD S 16.182 -6.753 5.148 . . . 1.0 . . . . . . . . . . . . A . 21 MET SD . . . . . . . . . rr_2mce 1
. 4 . 952 . 1 1 1 ASP C C -14.566 8.816 1.510 . . . 1.0 . . . . . . . . . . . . A . 1 ASP C . . . . . . . . . rr_2mce 1
. 4 . 953 . 1 1 1 ASP CA C -14.547 10.141 0.744 . . . 1.0 . . . . . . . . . . . . A . 1 ASP CA . . . . . . . . . rr_2mce 1
. 4 . 954 . 1 1 1 ASP CB C -13.204 10.248 0.019 . . . 1.0 . . . . . . . . . . . . A . 1 ASP CB . . . . . . . . . rr_2mce 1
. 4 . 955 . 1 1 1 ASP CG C -13.276 10.841 -1.390 . . . 1.0 . . . . . . . . . . . . A . 1 ASP CG . . . . . . . . . rr_2mce 1
. 4 . 956 . 1 1 1 ASP H1 H -15.509 11.832 1.488 . . . 1.0 . . . . . . . . . . . . A . 1 ASP H1 . . . . . . . . . rr_2mce 1
. 4 . 957 . 1 1 1 ASP HA H -15.374 10.226 0.039 . . . 1.0 . . . . . . . . . . . . A . 1 ASP HA . . . . . . . . . rr_2mce 1
. 4 . 958 . 1 1 1 ASP HB2 H -12.533 10.861 0.621 . . . 1.0 . . . . . . . . . . . . A . 1 ASP HB2 . . . . . . . . . rr_2mce 1
. 4 . 959 . 1 1 1 ASP HB3 H -12.760 9.255 -0.042 . . . 1.0 . . . . . . . . . . . . A . 1 ASP HB3 . . . . . . . . . rr_2mce 1
. 4 . 960 . 1 1 1 ASP HD2 H -13.824 12.325 -2.410 . . . 1.0 . . . . . . . . . . . . A . 1 ASP HD2 . . . . . . . . . rr_2mce 1
. 4 . 961 . 1 1 1 ASP N N -14.727 11.238 1.679 . . . 1.0 . . . . . . . . . . . . A . 1 ASP N . . . . . . . . . rr_2mce 1
. 4 . 962 . 1 1 1 ASP O O -13.851 8.657 2.498 . . . 1.0 . . . . . . . . . . . . A . 1 ASP O . . . . . . . . . rr_2mce 1
. 4 . 963 . 1 1 1 ASP OD1 O -12.892 10.192 -2.375 . . . 1.0 . . . . . . . . . . . . A . 1 ASP OD1 . . . . . . . . . rr_2mce 1
. 4 . 964 . 1 1 1 ASP OD2 O -13.756 12.036 -1.455 . . . 1.0 . . . . . . . . . . . . A . 1 ASP OD2 . . . . . . . . . rr_2mce 1
. 4 . 965 . 1 1 2 ALA C C -14.459 5.651 1.062 . . . 1.0 . . . . . . . . . . . . A . 2 ALA C . . . . . . . . . rr_2mce 1
. 4 . 966 . 1 1 2 ALA CA C -15.511 6.594 1.651 . . . 1.0 . . . . . . . . . . . . A . 2 ALA CA . . . . . . . . . rr_2mce 1
. 4 . 967 . 1 1 2 ALA CB C -16.935 6.068 1.464 . . . 1.0 . . . . . . . . . . . . A . 2 ALA CB . . . . . . . . . rr_2mce 1
. 4 . 968 . 1 1 2 ALA H H -15.967 8.038 0.220 . . . 1.0 . . . . . . . . . . . . A . 2 ALA H . . . . . . . . . rr_2mce 1
. 4 . 969 . 1 1 2 ALA HA H -15.319 6.719 2.716 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HA . . . . . . . . . rr_2mce 1
. 4 . 970 . 1 1 2 ALA HB1 H -16.965 5.007 1.711 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HB1 . . . . . . . . . rr_2mce 1
. 4 . 971 . 1 1 2 ALA HB2 H -17.613 6.614 2.120 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HB2 . . . . . . . . . rr_2mce 1
. 4 . 972 . 1 1 2 ALA HB3 H -17.241 6.208 0.427 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HB3 . . . . . . . . . rr_2mce 1
. 4 . 973 . 1 1 2 ALA N N -15.390 7.900 1.024 . . . 1.0 . . . . . . . . . . . . A . 2 ALA N . . . . . . . . . rr_2mce 1
. 4 . 974 . 1 1 2 ALA O O -13.828 4.888 1.792 . . . 1.0 . . . . . . . . . . . . A . 2 ALA O . . . . . . . . . rr_2mce 1
. 4 . 975 . 1 1 3 GLY C C -11.910 5.389 -0.696 . . . 1.0 . . . . . . . . . . . . A . 3 GLY C . . . . . . . . . rr_2mce 1
. 4 . 976 . 1 1 3 GLY CA C -13.338 4.901 -0.945 . . . 1.0 . . . . . . . . . . . . A . 3 GLY CA . . . . . . . . . rr_2mce 1
. 4 . 977 . 1 1 3 GLY H H -14.821 6.361 -0.837 . . . 1.0 . . . . . . . . . . . . A . 3 GLY H . . . . . . . . . rr_2mce 1
. 4 . 978 . 1 1 3 GLY HA2 H -13.438 3.869 -0.610 . . . 1.0 . . . . . . . . . . . . A . 3 GLY HA2 . . . . . . . . . rr_2mce 1
. 4 . 979 . 1 1 3 GLY HA3 H -13.548 4.909 -2.015 . . . 1.0 . . . . . . . . . . . . A . 3 GLY HA3 . . . . . . . . . rr_2mce 1
. 4 . 980 . 1 1 3 GLY N N -14.303 5.737 -0.250 . . . 1.0 . . . . . . . . . . . . A . 3 GLY N . . . . . . . . . rr_2mce 1
. 4 . 981 . 1 1 3 GLY O O -10.953 4.802 -1.199 . . . 1.0 . . . . . . . . . . . . A . 3 GLY O . . . . . . . . . rr_2mce 1
. 4 . 982 . 1 1 4 HIS C C -9.705 6.034 1.233 . . . 1.0 . . . . . . . . . . . . A . 4 HIS C . . . . . . . . . rr_2mce 1
. 4 . 983 . 1 1 4 HIS CA C -10.515 7.031 0.403 . . . 1.0 . . . . . . . . . . . . A . 4 HIS CA . . . . . . . . . rr_2mce 1
. 4 . 984 . 1 1 4 HIS CB C -10.678 8.385 1.097 . . . 1.0 . . . . . . . . . . . . A . 4 HIS CB . . . . . . . . . rr_2mce 1
. 4 . 985 . 1 1 4 HIS CD2 C -10.179 9.648 -1.137 . . . 1.0 . . . . . . . . . . . . A . 4 HIS CD2 . . . . . . . . . rr_2mce 1
. 4 . 986 . 1 1 4 HIS CE1 C -9.971 11.665 -0.315 . . . 1.0 . . . . . . . . . . . . A . 4 HIS CE1 . . . . . . . . . rr_2mce 1
. 4 . 987 . 1 1 4 HIS CG C -10.372 9.570 0.211 . . . 1.0 . . . . . . . . . . . . A . 4 HIS CG . . . . . . . . . rr_2mce 1
. 4 . 988 . 1 1 4 HIS H H -12.594 6.928 0.486 . . . 1.0 . . . . . . . . . . . . A . 4 HIS H . . . . . . . . . rr_2mce 1
. 4 . 989 . 1 1 4 HIS HA H -10.005 7.203 -0.544 . . . 1.0 . . . . . . . . . . . . A . 4 HIS HA . . . . . . . . . rr_2mce 1
. 4 . 990 . 1 1 4 HIS HB2 H -11.701 8.473 1.463 . . . 1.0 . . . . . . . . . . . . A . 4 HIS HB2 . . . . . . . . . rr_2mce 1
. 4 . 991 . 1 1 4 HIS HB3 H -10.023 8.416 1.967 . . . 1.0 . . . . . . . . . . . . A . 4 HIS HB3 . . . . . . . . . rr_2mce 1
. 4 . 992 . 1 1 4 HIS HD1 H -10.318 11.129 1.660 . . . 1.0 . . . . . . . . . . . . A . 4 HIS HD1 . . . . . . . . . rr_2mce 1
. 4 . 993 . 1 1 4 HIS HD2 H -10.217 8.812 -1.837 . . . 1.0 . . . . . . . . . . . . A . 4 HIS HD2 . . . . . . . . . rr_2mce 1
. 4 . 994 . 1 1 4 HIS HE1 H -9.808 12.741 -0.252 . . . 1.0 . . . . . . . . . . . . A . 4 HIS HE1 . . . . . . . . . rr_2mce 1
. 4 . 995 . 1 1 4 HIS N N -11.811 6.458 0.081 . . . 1.0 . . . . . . . . . . . . A . 4 HIS N . . . . . . . . . rr_2mce 1
. 4 . 996 . 1 1 4 HIS ND1 N -10.234 10.856 0.701 . . . 1.0 . . . . . . . . . . . . A . 4 HIS ND1 . . . . . . . . . rr_2mce 1
. 4 . 997 . 1 1 4 HIS NE2 N -9.937 10.914 -1.454 . . . 1.0 . . . . . . . . . . . . A . 4 HIS NE2 . . . . . . . . . rr_2mce 1
. 4 . 998 . 1 1 4 HIS O O -8.491 6.178 1.372 . . . 1.0 . . . . . . . . . . . . A . 4 HIS O . . . . . . . . . rr_2mce 1
. 4 . 999 . 1 1 5 GLY C C -9.001 3.027 1.702 . . . 1.0 . . . . . . . . . . . . A . 5 GLY C . . . . . . . . . rr_2mce 1
. 4 . 1000 . 1 1 5 GLY CA C -9.769 4.022 2.575 . . . 1.0 . . . . . . . . . . . . A . 5 GLY CA . . . . . . . . . rr_2mce 1
. 4 . 1001 . 1 1 5 GLY H H -11.395 4.934 1.644 . . . 1.0 . . . . . . . . . . . . A . 5 GLY H . . . . . . . . . rr_2mce 1
. 4 . 1002 . 1 1 5 GLY HA2 H -9.087 4.491 3.284 . . . 1.0 . . . . . . . . . . . . A . 5 GLY HA2 . . . . . . . . . rr_2mce 1
. 4 . 1003 . 1 1 5 GLY HA3 H -10.521 3.493 3.159 . . . 1.0 . . . . . . . . . . . . A . 5 GLY HA3 . . . . . . . . . rr_2mce 1
. 4 . 1004 . 1 1 5 GLY N N -10.408 5.044 1.762 . . . 1.0 . . . . . . . . . . . . A . 5 GLY N . . . . . . . . . rr_2mce 1
. 4 . 1005 . 1 1 5 GLY O O -8.174 2.267 2.201 . . . 1.0 . . . . . . . . . . . . A . 5 GLY O . . . . . . . . . rr_2mce 1
. 4 . 1006 . 1 1 6 GLN C C -7.179 2.562 -0.698 . . . 1.0 . . . . . . . . . . . . A . 6 GLN C . . . . . . . . . rr_2mce 1
. 4 . 1007 . 1 1 6 GLN CA C -8.651 2.178 -0.536 . . . 1.0 . . . . . . . . . . . . A . 6 GLN CA . . . . . . . . . rr_2mce 1
. 4 . 1008 . 1 1 6 GLN CB C -9.374 2.191 -1.885 . . . 1.0 . . . . . . . . . . . . A . 6 GLN CB . . . . . . . . . rr_2mce 1
. 4 . 1009 . 1 1 6 GLN CD C -11.722 2.188 -2.805 . . . 1.0 . . . . . . . . . . . . A . 6 GLN CD . . . . . . . . . rr_2mce 1
. 4 . 1010 . 1 1 6 GLN CG C -10.774 1.588 -1.764 . . . 1.0 . . . . . . . . . . . . A . 6 GLN CG . . . . . . . . . rr_2mce 1
. 4 . 1011 . 1 1 6 GLN H H -9.977 3.689 0.014 . . . 1.0 . . . . . . . . . . . . A . 6 GLN H . . . . . . . . . rr_2mce 1
. 4 . 1012 . 1 1 6 GLN HA H -8.729 1.182 -0.100 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HA . . . . . . . . . rr_2mce 1
. 4 . 1013 . 1 1 6 GLN HB2 H -9.445 3.215 -2.253 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HB2 . . . . . . . . . rr_2mce 1
. 4 . 1014 . 1 1 6 GLN HB3 H -8.794 1.630 -2.617 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HB3 . . . . . . . . . rr_2mce 1
. 4 . 1015 . 1 1 6 GLN HE21 H -13.281 1.566 -1.674 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HE21 . . . . . . . . . rr_2mce 1
. 4 . 1016 . 1 1 6 GLN HE22 H -13.709 2.397 -3.133 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HE22 . . . . . . . . . rr_2mce 1
. 4 . 1017 . 1 1 6 GLN HG2 H -10.721 0.507 -1.897 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HG2 . . . . . . . . . rr_2mce 1
. 4 . 1018 . 1 1 6 GLN HG3 H -11.167 1.768 -0.763 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HG3 . . . . . . . . . rr_2mce 1
. 4 . 1019 . 1 1 6 GLN N N -9.304 3.067 0.412 . . . 1.0 . . . . . . . . . . . . A . 6 GLN N . . . . . . . . . rr_2mce 1
. 4 . 1020 . 1 1 6 GLN NE2 N -13.011 2.037 -2.513 . . . 1.0 . . . . . . . . . . . . A . 6 GLN NE2 . . . . . . . . . rr_2mce 1
. 4 . 1021 . 1 1 6 GLN O O -6.382 1.774 -1.205 . . . 1.0 . . . . . . . . . . . . A . 6 GLN O . . . . . . . . . rr_2mce 1
. 4 . 1022 . 1 1 6 GLN OE1 O -11.310 2.751 -3.805 . . . 1.0 . . . . . . . . . . . . A . 6 GLN OE1 . . . . . . . . . rr_2mce 1
. 4 . 1023 . 1 1 7 ILE C C -4.669 3.670 0.789 . . . 1.0 . . . . . . . . . . . . A . 7 ILE C . . . . . . . . . rr_2mce 1
. 4 . 1024 . 1 1 7 ILE CA C -5.502 4.268 -0.346 . . . 1.0 . . . . . . . . . . . . A . 7 ILE CA . . . . . . . . . rr_2mce 1
. 4 . 1025 . 1 1 7 ILE CB C -5.491 5.798 -0.376 . . . 1.0 . . . . . . . . . . . . A . 7 ILE CB . . . . . . . . . rr_2mce 1
. 4 . 1026 . 1 1 7 ILE CD1 C -7.000 7.589 -1.310 . . . 1.0 . . . . . . . . . . . . A . 7 ILE CD1 . . . . . . . . . rr_2mce 1
. 4 . 1027 . 1 1 7 ILE CG1 C -6.196 6.327 -1.627 . . . 1.0 . . . . . . . . . . . . A . 7 ILE CG1 . . . . . . . . . rr_2mce 1
. 4 . 1028 . 1 1 7 ILE CG2 C -4.065 6.338 -0.251 . . . 1.0 . . . . . . . . . . . . A . 7 ILE CG2 . . . . . . . . . rr_2mce 1
. 4 . 1029 . 1 1 7 ILE H H -7.520 4.405 0.154 . . . 1.0 . . . . . . . . . . . . A . 7 ILE H . . . . . . . . . rr_2mce 1
. 4 . 1030 . 1 1 7 ILE HA H -5.091 3.924 -1.295 . . . 1.0 . . . . . . . . . . . . A . 7 ILE HA . . . . . . . . . rr_2mce 1
. 4 . 1031 . 1 1 7 ILE HB H -6.049 6.160 0.487 . . . 1.0 . . . . . . . . . . . . A . 7 ILE HB . . . . . . . . . rr_2mce 1
. 4 . 1032 . 1 1 7 ILE HD11 H -8.064 7.352 -1.308 . . . 1.0 . . . . . . . . . . . . A . 7 ILE HD11 . . . . . . . . . rr_2mce 1
. 4 . 1033 . 1 1 7 ILE HD12 H -6.710 7.968 -0.330 . . . 1.0 . . . . . . . . . . . . A . 7 ILE HD12 . . . . . . . . . rr_2mce 1
. 4 . 1034 . 1 1 7 ILE HD13 H -6.798 8.347 -2.067 . . . 1.0 . . . . . . . . . . . . A . 7 ILE HD13 . . . . . . . . . rr_2mce 1
. 4 . 1035 . 1 1 7 ILE HG12 H -5.459 6.544 -2.399 . . . 1.0 . . . . . . . . . . . . A . 7 ILE HG12 . . . . . . . . . rr_2mce 1
. 4 . 1036 . 1 1 7 ILE HG13 H -6.860 5.560 -2.027 . . . 1.0 . . . . . . . . . . . . A . 7 ILE HG13 . . . . . . . . . rr_2mce 1
. 4 . 1037 . 1 1 7 ILE HG21 H -3.674 6.105 0.739 . . . 1.0 . . . . . . . . . . . . A . 7 ILE HG21 . . . . . . . . . rr_2mce 1
. 4 . 1038 . 1 1 7 ILE HG22 H -3.433 5.876 -1.010 . . . 1.0 . . . . . . . . . . . . A . 7 ILE HG22 . . . . . . . . . rr_2mce 1
. 4 . 1039 . 1 1 7 ILE HG23 H -4.072 7.418 -0.392 . . . 1.0 . . . . . . . . . . . . A . 7 ILE HG23 . . . . . . . . . rr_2mce 1
. 4 . 1040 . 1 1 7 ILE N N -6.864 3.771 -0.257 . . . 1.0 . . . . . . . . . . . . A . 7 ILE N . . . . . . . . . rr_2mce 1
. 4 . 1041 . 1 1 7 ILE O O -3.443 3.619 0.706 . . . 1.0 . . . . . . . . . . . . A . 7 ILE O . . . . . . . . . rr_2mce 1
. 4 . 1042 . 1 1 8 SER C C -4.087 1.294 2.588 . . . 1.0 . . . . . . . . . . . . A . 8 SER C . . . . . . . . . rr_2mce 1
. 4 . 1043 . 1 1 8 SER CA C -4.710 2.637 2.976 . . . 1.0 . . . . . . . . . . . . A . 8 SER CA . . . . . . . . . rr_2mce 1
. 4 . 1044 . 1 1 8 SER CB C -5.689 2.452 4.137 . . . 1.0 . . . . . . . . . . . . A . 8 SER CB . . . . . . . . . rr_2mce 1
. 4 . 1045 . 1 1 8 SER H H -6.366 3.275 1.886 . . . 1.0 . . . . . . . . . . . . A . 8 SER H . . . . . . . . . rr_2mce 1
. 4 . 1046 . 1 1 8 SER HA H -3.937 3.348 3.264 . . . 1.0 . . . . . . . . . . . . A . 8 SER HA . . . . . . . . . rr_2mce 1
. 4 . 1047 . 1 1 8 SER HB2 H -5.140 2.456 5.079 . . . 1.0 . . . . . . . . . . . . A . 8 SER HB2 . . . . . . . . . rr_2mce 1
. 4 . 1048 . 1 1 8 SER HB3 H -6.380 3.294 4.167 . . . 1.0 . . . . . . . . . . . . A . 8 SER HB3 . . . . . . . . . rr_2mce 1
. 4 . 1049 . 1 1 8 SER HG H -7.407 1.435 3.983 . . . 1.0 . . . . . . . . . . . . A . 8 SER HG . . . . . . . . . rr_2mce 1
. 4 . 1050 . 1 1 8 SER N N -5.369 3.230 1.826 . . . 1.0 . . . . . . . . . . . . A . 8 SER N . . . . . . . . . rr_2mce 1
. 4 . 1051 . 1 1 8 SER O O -3.270 0.747 3.328 . . . 1.0 . . . . . . . . . . . . A . 8 SER O . . . . . . . . . rr_2mce 1
. 4 . 1052 . 1 1 8 SER OG O -6.427 1.238 4.025 . . . 1.0 . . . . . . . . . . . . A . 8 SER OG . . . . . . . . . rr_2mce 1
. 4 . 1053 . 1 1 9 HIS C C -2.674 -0.237 0.185 . . . 1.0 . . . . . . . . . . . . A . 9 HIS C . . . . . . . . . rr_2mce 1
. 4 . 1054 . 1 1 9 HIS CA C -3.989 -0.467 0.933 . . . 1.0 . . . . . . . . . . . . A . 9 HIS CA . . . . . . . . . rr_2mce 1
. 4 . 1055 . 1 1 9 HIS CB C -5.041 -1.176 0.076 . . . 1.0 . . . . . . . . . . . . A . 9 HIS CB . . . . . . . . . rr_2mce 1
. 4 . 1056 . 1 1 9 HIS CD2 C -7.411 -2.022 0.780 . . . 1.0 . . . . . . . . . . . . A . 9 HIS CD2 . . . . . . . . . rr_2mce 1
. 4 . 1057 . 1 1 9 HIS CE1 C -6.799 -3.351 2.405 . . . 1.0 . . . . . . . . . . . . A . 9 HIS CE1 . . . . . . . . . rr_2mce 1
. 4 . 1058 . 1 1 9 HIS CG C -6.052 -1.964 0.875 . . . 1.0 . . . . . . . . . . . . A . 9 HIS CG . . . . . . . . . rr_2mce 1
. 4 . 1059 . 1 1 9 HIS H H -5.161 1.252 0.833 . . . 1.0 . . . . . . . . . . . . A . 9 HIS H . . . . . . . . . rr_2mce 1
. 4 . 1060 . 1 1 9 HIS HA H -3.797 -1.089 1.806 . . . 1.0 . . . . . . . . . . . . A . 9 HIS HA . . . . . . . . . rr_2mce 1
. 4 . 1061 . 1 1 9 HIS HB2 H -5.565 -0.434 -0.524 . . . 1.0 . . . . . . . . . . . . A . 9 HIS HB2 . . . . . . . . . rr_2mce 1
. 4 . 1062 . 1 1 9 HIS HB3 H -4.536 -1.849 -0.616 . . . 1.0 . . . . . . . . . . . . A . 9 HIS HB3 . . . . . . . . . rr_2mce 1
. 4 . 1063 . 1 1 9 HIS HD1 H -4.764 -2.988 2.226 . . . 1.0 . . . . . . . . . . . . A . 9 HIS HD1 . . . . . . . . . rr_2mce 1
. 4 . 1064 . 1 1 9 HIS HD2 H -8.025 -1.472 0.066 . . . 1.0 . . . . . . . . . . . . A . 9 HIS HD2 . . . . . . . . . rr_2mce 1
. 4 . 1065 . 1 1 9 HIS HE1 H -6.849 -4.063 3.230 . . . 1.0 . . . . . . . . . . . . A . 9 HIS HE1 . . . . . . . . . rr_2mce 1
. 4 . 1066 . 1 1 9 HIS N N -4.497 0.802 1.428 . . . 1.0 . . . . . . . . . . . . A . 9 HIS N . . . . . . . . . rr_2mce 1
. 4 . 1067 . 1 1 9 HIS ND1 N -5.696 -2.812 1.909 . . . 1.0 . . . . . . . . . . . . A . 9 HIS ND1 . . . . . . . . . rr_2mce 1
. 4 . 1068 . 1 1 9 HIS NE2 N -7.861 -2.862 1.705 . . . 1.0 . . . . . . . . . . . . A . 9 HIS NE2 . . . . . . . . . rr_2mce 1
. 4 . 1069 . 1 1 9 HIS O O -2.006 -1.190 -0.210 . . . 1.0 . . . . . . . . . . . . A . 9 HIS O . . . . . . . . . rr_2mce 1
. 4 . 1070 . 1 1 10 LYS C C 0.086 0.922 0.135 . . . 1.0 . . . . . . . . . . . . A . 10 LYS C . . . . . . . . . rr_2mce 1
. 4 . 1071 . 1 1 10 LYS CA C -1.118 1.402 -0.677 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CA . . . . . . . . . rr_2mce 1
. 4 . 1072 . 1 1 10 LYS CB C -1.100 2.903 -0.973 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CB . . . . . . . . . rr_2mce 1
. 4 . 1073 . 1 1 10 LYS CD C -0.800 5.199 0.028 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CD . . . . . . . . . rr_2mce 1
. 4 . 1074 . 1 1 10 LYS CE C 0.158 6.003 0.909 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CE . . . . . . . . . rr_2mce 1
. 4 . 1075 . 1 1 10 LYS CG C -0.611 3.696 0.242 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CG . . . . . . . . . rr_2mce 1
. 4 . 1076 . 1 1 10 LYS H H -2.890 1.805 0.341 . . . 1.0 . . . . . . . . . . . . A . 10 LYS H . . . . . . . . . rr_2mce 1
. 4 . 1077 . 1 1 10 LYS HA H -1.117 0.884 -1.636 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HA . . . . . . . . . rr_2mce 1
. 4 . 1078 . 1 1 10 LYS HB2 H -0.452 3.102 -1.826 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HB2 . . . . . . . . . rr_2mce 1
. 4 . 1079 . 1 1 10 LYS HB3 H -2.101 3.235 -1.248 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HB3 . . . . . . . . . rr_2mce 1
. 4 . 1080 . 1 1 10 LYS HD2 H -0.630 5.445 -1.020 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HD2 . . . . . . . . . rr_2mce 1
. 4 . 1081 . 1 1 10 LYS HD3 H -1.829 5.476 0.257 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HD3 . . . . . . . . . rr_2mce 1
. 4 . 1082 . 1 1 10 LYS HE2 H 1.174 5.628 0.787 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HE2 . . . . . . . . . rr_2mce 1
. 4 . 1083 . 1 1 10 LYS HE3 H 0.163 7.046 0.594 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HE3 . . . . . . . . . rr_2mce 1
. 4 . 1084 . 1 1 10 LYS HG2 H -1.156 3.380 1.131 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HG2 . . . . . . . . . rr_2mce 1
. 4 . 1085 . 1 1 10 LYS HG3 H 0.443 3.481 0.420 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HG3 . . . . . . . . . rr_2mce 1
. 4 . 1086 . 1 1 10 LYS HZ1 H 0.478 5.487 2.903 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HZ1 . . . . . . . . . rr_2mce 1
. 4 . 1087 . 1 1 10 LYS HZ3 H -1.082 5.352 2.452 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HZ3 . . . . . . . . . rr_2mce 1
. 4 . 1088 . 1 1 10 LYS N N -2.342 1.035 0.016 . . . 1.0 . . . . . . . . . . . . A . 10 LYS N . . . . . . . . . rr_2mce 1
. 4 . 1089 . 1 1 10 LYS NZ N -0.244 5.910 2.331 . . . 1.0 . . . . . . . . . . . . A . 10 LYS NZ . . . . . . . . . rr_2mce 1
. 4 . 1090 . 1 1 10 LYS O O 1.201 0.859 -0.380 . . . 1.0 . . . . . . . . . . . . A . 10 LYS O . . . . . . . . . rr_2mce 1
. 4 . 1091 . 1 1 11 ARG C C 1.418 -1.219 1.786 . . . 1.0 . . . . . . . . . . . . A . 11 ARG C . . . . . . . . . rr_2mce 1
. 4 . 1092 . 1 1 11 ARG CA C 0.869 0.121 2.280 . . . 1.0 . . . . . . . . . . . . A . 11 ARG CA . . . . . . . . . rr_2mce 1
. 4 . 1093 . 1 1 11 ARG CB C 0.347 -0.046 3.707 . . . 1.0 . . . . . . . . . . . . A . 11 ARG CB . . . . . . . . . rr_2mce 1
. 4 . 1094 . 1 1 11 ARG CD C -0.783 -1.743 5.191 . . . 1.0 . . . . . . . . . . . . A . 11 ARG CD . . . . . . . . . rr_2mce 1
. 4 . 1095 . 1 1 11 ARG CG C -0.706 -1.153 3.781 . . . 1.0 . . . . . . . . . . . . A . 11 ARG CG . . . . . . . . . rr_2mce 1
. 4 . 1096 . 1 1 11 ARG CZ C 0.372 -3.872 4.567 . . . 1.0 . . . . . . . . . . . . A . 11 ARG CZ . . . . . . . . . rr_2mce 1
. 4 . 1097 . 1 1 11 ARG H H -1.089 0.648 1.803 . . . 1.0 . . . . . . . . . . . . A . 11 ARG H . . . . . . . . . rr_2mce 1
. 4 . 1098 . 1 1 11 ARG HA H 1.635 0.895 2.244 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HA . . . . . . . . . rr_2mce 1
. 4 . 1099 . 1 1 11 ARG HB2 H 1.175 -0.282 4.376 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HB2 . . . . . . . . . rr_2mce 1
. 4 . 1100 . 1 1 11 ARG HB3 H -0.083 0.894 4.054 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HB3 . . . . . . . . . rr_2mce 1
. 4 . 1101 . 1 1 11 ARG HD2 H 0.014 -1.334 5.810 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HD2 . . . . . . . . . rr_2mce 1
. 4 . 1102 . 1 1 11 ARG HD3 H -1.726 -1.465 5.660 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HD3 . . . . . . . . . rr_2mce 1
. 4 . 1103 . 1 1 11 ARG HE H -1.404 -3.764 5.528 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HE . . . . . . . . . rr_2mce 1
. 4 . 1104 . 1 1 11 ARG HG2 H -1.680 -0.752 3.498 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HG2 . . . . . . . . . rr_2mce 1
. 4 . 1105 . 1 1 11 ARG HG3 H -0.464 -1.939 3.066 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HG3 . . . . . . . . . rr_2mce 1
. 4 . 1106 . 1 1 11 ARG HH11 H 1.387 -2.186 4.018 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HH11 . . . . . . . . . rr_2mce 1
. 4 . 1107 . 1 1 11 ARG HH12 H 2.161 -3.679 3.600 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HH12 . . . . . . . . . rr_2mce 1
. 4 . 1108 . 1 1 11 ARG HH22 H 1.102 -5.752 4.173 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HH22 . . . . . . . . . rr_2mce 1
. 4 . 1109 . 1 1 11 ARG N N -0.179 0.594 1.391 . . . 1.0 . . . . . . . . . . . . A . 11 ARG N . . . . . . . . . rr_2mce 1
. 4 . 1110 . 1 1 11 ARG NE N -0.666 -3.218 5.129 . . . 1.0 . . . . . . . . . . . . A . 11 ARG NE . . . . . . . . . rr_2mce 1
. 4 . 1111 . 1 1 11 ARG NH1 N 1.395 -3.186 4.014 . . . 1.0 . . . . . . . . . . . . A . 11 ARG NH1 . . . . . . . . . rr_2mce 1
. 4 . 1112 . 1 1 11 ARG NH2 N 0.373 -5.192 4.567 . . . 1.0 . . . . . . . . . . . . A . 11 ARG NH2 . . . . . . . . . rr_2mce 1
. 4 . 1113 . 1 1 11 ARG O O 2.445 -1.691 2.271 . . . 1.0 . . . . . . . . . . . . A . 11 ARG O . . . . . . . . . rr_2mce 1
. 4 . 1114 . 1 1 12 HIS C C 2.311 -2.867 -0.668 . . . 1.0 . . . . . . . . . . . . A . 12 HIS C . . . . . . . . . rr_2mce 1
. 4 . 1115 . 1 1 12 HIS CA C 1.112 -3.072 0.261 . . . 1.0 . . . . . . . . . . . . A . 12 HIS CA . . . . . . . . . rr_2mce 1
. 4 . 1116 . 1 1 12 HIS CB C -0.067 -3.755 -0.436 . . . 1.0 . . . . . . . . . . . . A . 12 HIS CB . . . . . . . . . rr_2mce 1
. 4 . 1117 . 1 1 12 HIS CD2 C -1.473 -5.679 0.639 . . . 1.0 . . . . . . . . . . . . A . 12 HIS CD2 . . . . . . . . . rr_2mce 1
. 4 . 1118 . 1 1 12 HIS CE1 C -2.533 -4.491 2.139 . . . 1.0 . . . . . . . . . . . . A . 12 HIS CE1 . . . . . . . . . rr_2mce 1
. 4 . 1119 . 1 1 12 HIS CG C -1.058 -4.386 0.513 . . . 1.0 . . . . . . . . . . . . A . 12 HIS CG . . . . . . . . . rr_2mce 1
. 4 . 1120 . 1 1 12 HIS H H -0.126 -1.406 0.436 . . . 1.0 . . . . . . . . . . . . A . 12 HIS H . . . . . . . . . rr_2mce 1
. 4 . 1121 . 1 1 12 HIS HA H 1.415 -3.703 1.096 . . . 1.0 . . . . . . . . . . . . A . 12 HIS HA . . . . . . . . . rr_2mce 1
. 4 . 1122 . 1 1 12 HIS HB2 H -0.585 -3.021 -1.052 . . . 1.0 . . . . . . . . . . . . A . 12 HIS HB2 . . . . . . . . . rr_2mce 1
. 4 . 1123 . 1 1 12 HIS HB3 H 0.316 -4.523 -1.108 . . . 1.0 . . . . . . . . . . . . A . 12 HIS HB3 . . . . . . . . . rr_2mce 1
. 4 . 1124 . 1 1 12 HIS HD1 H -1.660 -2.678 1.633 . . . 1.0 . . . . . . . . . . . . A . 12 HIS HD1 . . . . . . . . . rr_2mce 1
. 4 . 1125 . 1 1 12 HIS HD2 H -1.130 -6.520 0.035 . . . 1.0 . . . . . . . . . . . . A . 12 HIS HD2 . . . . . . . . . rr_2mce 1
. 4 . 1126 . 1 1 12 HIS HE1 H -3.200 -4.222 2.957 . . . 1.0 . . . . . . . . . . . . A . 12 HIS HE1 . . . . . . . . . rr_2mce 1
. 4 . 1127 . 1 1 12 HIS N N 0.709 -1.796 0.825 . . . 1.0 . . . . . . . . . . . . A . 12 HIS N . . . . . . . . . rr_2mce 1
. 4 . 1128 . 1 1 12 HIS ND1 N -1.745 -3.660 1.471 . . . 1.0 . . . . . . . . . . . . A . 12 HIS ND1 . . . . . . . . . rr_2mce 1
. 4 . 1129 . 1 1 12 HIS NE2 N -2.362 -5.741 1.622 . . . 1.0 . . . . . . . . . . . . A . 12 HIS NE2 . . . . . . . . . rr_2mce 1
. 4 . 1130 . 1 1 12 HIS O O 3.070 -3.800 -0.922 . . . 1.0 . . . . . . . . . . . . A . 12 HIS O . . . . . . . . . rr_2mce 1
. 4 . 1131 . 1 1 13 LYS C C 4.854 -1.335 -1.266 . . . 1.0 . . . . . . . . . . . . A . 13 LYS C . . . . . . . . . rr_2mce 1
. 4 . 1132 . 1 1 13 LYS CA C 3.536 -1.299 -2.042 . . . 1.0 . . . . . . . . . . . . A . 13 LYS CA . . . . . . . . . rr_2mce 1
. 4 . 1133 . 1 1 13 LYS CB C 3.265 0.039 -2.734 . . . 1.0 . . . . . . . . . . . . A . 13 LYS CB . . . . . . . . . rr_2mce 1
. 4 . 1134 . 1 1 13 LYS CD C 2.242 -0.909 -4.835 . . . 1.0 . . . . . . . . . . . . A . 13 LYS CD . . . . . . . . . rr_2mce 1
. 4 . 1135 . 1 1 13 LYS CE C 1.491 -2.238 -4.717 . . . 1.0 . . . . . . . . . . . . A . 13 LYS CE . . . . . . . . . rr_2mce 1
. 4 . 1136 . 1 1 13 LYS CG C 2.007 -0.035 -3.600 . . . 1.0 . . . . . . . . . . . . A . 13 LYS CG . . . . . . . . . rr_2mce 1
. 4 . 1137 . 1 1 13 LYS H H 1.820 -0.886 -0.936 . . . 1.0 . . . . . . . . . . . . A . 13 LYS H . . . . . . . . . rr_2mce 1
. 4 . 1138 . 1 1 13 LYS HA H 3.572 -2.062 -2.819 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HA . . . . . . . . . rr_2mce 1
. 4 . 1139 . 1 1 13 LYS HB2 H 3.150 0.823 -1.986 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HB2 . . . . . . . . . rr_2mce 1
. 4 . 1140 . 1 1 13 LYS HB3 H 4.121 0.312 -3.352 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HB3 . . . . . . . . . rr_2mce 1
. 4 . 1141 . 1 1 13 LYS HD2 H 1.912 -0.379 -5.728 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HD2 . . . . . . . . . rr_2mce 1
. 4 . 1142 . 1 1 13 LYS HD3 H 3.308 -1.099 -4.953 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HD3 . . . . . . . . . rr_2mce 1
. 4 . 1143 . 1 1 13 LYS HE2 H 2.186 -3.030 -4.440 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HE2 . . . . . . . . . rr_2mce 1
. 4 . 1144 . 1 1 13 LYS HE3 H 0.748 -2.173 -3.922 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HE3 . . . . . . . . . rr_2mce 1
. 4 . 1145 . 1 1 13 LYS HG2 H 1.182 -0.442 -3.015 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HG2 . . . . . . . . . rr_2mce 1
. 4 . 1146 . 1 1 13 LYS HG3 H 1.714 0.967 -3.910 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HG3 . . . . . . . . . rr_2mce 1
. 4 . 1147 . 1 1 13 LYS HZ1 H 0.630 -1.748 -6.550 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HZ1 . . . . . . . . . rr_2mce 1
. 4 . 1148 . 1 1 13 LYS HZ3 H -0.052 -3.054 -5.855 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HZ3 . . . . . . . . . rr_2mce 1
. 4 . 1149 . 1 1 13 LYS N N 2.443 -1.638 -1.148 . . . 1.0 . . . . . . . . . . . . A . 13 LYS N . . . . . . . . . rr_2mce 1
. 4 . 1150 . 1 1 13 LYS NZ N 0.831 -2.575 -5.997 . . . 1.0 . . . . . . . . . . . . A . 13 LYS NZ . . . . . . . . . rr_2mce 1
. 4 . 1151 . 1 1 13 LYS O O 5.920 -1.508 -1.855 . . . 1.0 . . . . . . . . . . . . A . 13 LYS O . . . . . . . . . rr_2mce 1
. 4 . 1152 . 1 1 14 THR C C 6.420 -2.609 1.089 . . . 1.0 . . . . . . . . . . . . A . 14 THR C . . . . . . . . . rr_2mce 1
. 4 . 1153 . 1 1 14 THR CA C 5.908 -1.179 0.905 . . . 1.0 . . . . . . . . . . . . A . 14 THR CA . . . . . . . . . rr_2mce 1
. 4 . 1154 . 1 1 14 THR CB C 5.531 -0.493 2.221 . . . 1.0 . . . . . . . . . . . . A . 14 THR CB . . . . . . . . . rr_2mce 1
. 4 . 1155 . 1 1 14 THR CG2 C 6.659 -0.549 3.253 . . . 1.0 . . . . . . . . . . . . A . 14 THR CG2 . . . . . . . . . rr_2mce 1
. 4 . 1156 . 1 1 14 THR H H 3.867 -1.026 0.513 . . . 1.0 . . . . . . . . . . . . A . 14 THR H . . . . . . . . . rr_2mce 1
. 4 . 1157 . 1 1 14 THR HA H 6.701 -0.614 0.415 . . . 1.0 . . . . . . . . . . . . A . 14 THR HA . . . . . . . . . rr_2mce 1
. 4 . 1158 . 1 1 14 THR HB H 4.610 -0.911 2.627 . . . 1.0 . . . . . . . . . . . . A . 14 THR HB . . . . . . . . . rr_2mce 1
. 4 . 1159 . 1 1 14 THR HG1 H 5.011 1.396 2.626 . . . 1.0 . . . . . . . . . . . . A . 14 THR HG1 . . . . . . . . . rr_2mce 1
. 4 . 1160 . 1 1 14 THR HG21 H 6.270 -0.928 4.197 . . . 1.0 . . . . . . . . . . . . A . 14 THR HG21 . . . . . . . . . rr_2mce 1
. 4 . 1161 . 1 1 14 THR HG22 H 7.449 -1.209 2.894 . . . 1.0 . . . . . . . . . . . . A . 14 THR HG22 . . . . . . . . . rr_2mce 1
. 4 . 1162 . 1 1 14 THR HG23 H 7.064 0.452 3.403 . . . 1.0 . . . . . . . . . . . . A . 14 THR HG23 . . . . . . . . . rr_2mce 1
. 4 . 1163 . 1 1 14 THR N N 4.738 -1.168 0.043 . . . 1.0 . . . . . . . . . . . . A . 14 THR N . . . . . . . . . rr_2mce 1
. 4 . 1164 . 1 1 14 THR O O 7.594 -2.817 1.392 . . . 1.0 . . . . . . . . . . . . A . 14 THR O . . . . . . . . . rr_2mce 1
. 4 . 1165 . 1 1 14 THR OG1 O 5.440 0.887 1.879 . . . 1.0 . . . . . . . . . . . . A . 14 THR OG1 . . . . . . . . . rr_2mce 1
. 4 . 1166 . 1 1 15 ASP C C 6.673 -5.406 -0.177 . . . 1.0 . . . . . . . . . . . . A . 15 ASP C . . . . . . . . . rr_2mce 1
. 4 . 1167 . 1 1 15 ASP CA C 5.861 -4.961 1.040 . . . 1.0 . . . . . . . . . . . . A . 15 ASP CA . . . . . . . . . rr_2mce 1
. 4 . 1168 . 1 1 15 ASP CB C 4.606 -5.833 1.117 . . . 1.0 . . . . . . . . . . . . A . 15 ASP CB . . . . . . . . . rr_2mce 1
. 4 . 1169 . 1 1 15 ASP CG C 3.916 -5.853 2.482 . . . 1.0 . . . . . . . . . . . . A . 15 ASP CG . . . . . . . . . rr_2mce 1
. 4 . 1170 . 1 1 15 ASP H H 4.563 -3.379 0.653 . . . 1.0 . . . . . . . . . . . . A . 15 ASP H . . . . . . . . . rr_2mce 1
. 4 . 1171 . 1 1 15 ASP HA H 6.432 -5.023 1.968 . . . 1.0 . . . . . . . . . . . . A . 15 ASP HA . . . . . . . . . rr_2mce 1
. 4 . 1172 . 1 1 15 ASP HB2 H 3.894 -5.484 0.370 . . . 1.0 . . . . . . . . . . . . A . 15 ASP HB2 . . . . . . . . . rr_2mce 1
. 4 . 1173 . 1 1 15 ASP HB3 H 4.875 -6.855 0.848 . . . 1.0 . . . . . . . . . . . . A . 15 ASP HB3 . . . . . . . . . rr_2mce 1
. 4 . 1174 . 1 1 15 ASP HD2 H 2.172 -6.522 2.244 . . . 1.0 . . . . . . . . . . . . A . 15 ASP HD2 . . . . . . . . . rr_2mce 1
. 4 . 1175 . 1 1 15 ASP N N 5.515 -3.557 0.899 . . . 1.0 . . . . . . . . . . . . A . 15 ASP N . . . . . . . . . rr_2mce 1
. 4 . 1176 . 1 1 15 ASP O O 7.487 -6.324 -0.084 . . . 1.0 . . . . . . . . . . . . A . 15 ASP O . . . . . . . . . rr_2mce 1
. 4 . 1177 . 1 1 15 ASP OD1 O 4.191 -5.011 3.349 . . . 1.0 . . . . . . . . . . . . A . 15 ASP OD1 . . . . . . . . . rr_2mce 1
. 4 . 1178 . 1 1 15 ASP OD2 O 3.049 -6.795 2.640 . . . 1.0 . . . . . . . . . . . . A . 15 ASP OD2 . . . . . . . . . rr_2mce 1
. 4 . 1179 . 1 1 16 SER C C 8.555 -4.518 -2.470 . . . 1.0 . . . . . . . . . . . . A . 16 SER C . . . . . . . . . rr_2mce 1
. 4 . 1180 . 1 1 16 SER CA C 7.121 -5.052 -2.528 . . . 1.0 . . . . . . . . . . . . A . 16 SER CA . . . . . . . . . rr_2mce 1
. 4 . 1181 . 1 1 16 SER CB C 6.387 -4.472 -3.738 . . . 1.0 . . . . . . . . . . . . A . 16 SER CB . . . . . . . . . rr_2mce 1
. 4 . 1182 . 1 1 16 SER H H 5.761 -3.991 -1.360 . . . 1.0 . . . . . . . . . . . . A . 16 SER H . . . . . . . . . rr_2mce 1
. 4 . 1183 . 1 1 16 SER HA H 7.121 -6.140 -2.590 . . . 1.0 . . . . . . . . . . . . A . 16 SER HA . . . . . . . . . rr_2mce 1
. 4 . 1184 . 1 1 16 SER HB2 H 5.770 -3.632 -3.420 . . . 1.0 . . . . . . . . . . . . A . 16 SER HB2 . . . . . . . . . rr_2mce 1
. 4 . 1185 . 1 1 16 SER HB3 H 7.115 -4.080 -4.450 . . . 1.0 . . . . . . . . . . . . A . 16 SER HB3 . . . . . . . . . rr_2mce 1
. 4 . 1186 . 1 1 16 SER HG H 6.142 -6.135 -4.824 . . . 1.0 . . . . . . . . . . . . A . 16 SER HG . . . . . . . . . rr_2mce 1
. 4 . 1187 . 1 1 16 SER N N 6.424 -4.736 -1.292 . . . 1.0 . . . . . . . . . . . . A . 16 SER N . . . . . . . . . rr_2mce 1
. 4 . 1188 . 1 1 16 SER O O 9.428 -4.997 -3.192 . . . 1.0 . . . . . . . . . . . . A . 16 SER O . . . . . . . . . rr_2mce 1
. 4 . 1189 . 1 1 16 SER OG O 5.569 -5.444 -4.383 . . . 1.0 . . . . . . . . . . . . A . 16 SER OG . . . . . . . . . rr_2mce 1
. 4 . 1190 . 1 1 17 PHE C C 10.999 -3.853 -0.658 . . . 1.0 . . . . . . . . . . . . A . 17 PHE C . . . . . . . . . rr_2mce 1
. 4 . 1191 . 1 1 17 PHE CA C 10.064 -2.932 -1.444 . . . 1.0 . . . . . . . . . . . . A . 17 PHE CA . . . . . . . . . rr_2mce 1
. 4 . 1192 . 1 1 17 PHE CB C 9.866 -1.634 -0.657 . . . 1.0 . . . . . . . . . . . . A . 17 PHE CB . . . . . . . . . rr_2mce 1
. 4 . 1193 . 1 1 17 PHE CD1 C 8.836 -0.274 -2.491 . . . 1.0 . . . . . . . . . . . . A . 17 PHE CD1 . . . . . . . . . rr_2mce 1
. 4 . 1194 . 1 1 17 PHE CD2 C 10.690 0.627 -1.349 . . . 1.0 . . . . . . . . . . . . A . 17 PHE CD2 . . . . . . . . . rr_2mce 1
. 4 . 1195 . 1 1 17 PHE CE1 C 8.770 0.889 -3.302 . . . 1.0 . . . . . . . . . . . . A . 17 PHE CE1 . . . . . . . . . rr_2mce 1
. 4 . 1196 . 1 1 17 PHE CE2 C 10.623 1.791 -2.161 . . . 1.0 . . . . . . . . . . . . A . 17 PHE CE2 . . . . . . . . . rr_2mce 1
. 4 . 1197 . 1 1 17 PHE CG C 9.794 -0.381 -1.531 . . . 1.0 . . . . . . . . . . . . A . 17 PHE CG . . . . . . . . . rr_2mce 1
. 4 . 1198 . 1 1 17 PHE CZ C 9.664 1.897 -3.120 . . . 1.0 . . . . . . . . . . . . A . 17 PHE CZ . . . . . . . . . rr_2mce 1
. 4 . 1199 . 1 1 17 PHE H H 8.035 -3.151 -1.022 . . . 1.0 . . . . . . . . . . . . A . 17 PHE H . . . . . . . . . rr_2mce 1
. 4 . 1200 . 1 1 17 PHE HA H 10.470 -2.770 -2.443 . . . 1.0 . . . . . . . . . . . . A . 17 PHE HA . . . . . . . . . rr_2mce 1
. 4 . 1201 . 1 1 17 PHE HB2 H 8.948 -1.711 -0.074 . . . 1.0 . . . . . . . . . . . . A . 17 PHE HB2 . . . . . . . . . rr_2mce 1
. 4 . 1202 . 1 1 17 PHE HB3 H 10.686 -1.524 0.053 . . . 1.0 . . . . . . . . . . . . A . 17 PHE HB3 . . . . . . . . . rr_2mce 1
. 4 . 1203 . 1 1 17 PHE HD1 H 8.119 -1.082 -2.636 . . . 1.0 . . . . . . . . . . . . A . 17 PHE HD1 . . . . . . . . . rr_2mce 1
. 4 . 1204 . 1 1 17 PHE HD2 H 11.458 0.542 -0.581 . . . 1.0 . . . . . . . . . . . . A . 17 PHE HD2 . . . . . . . . . rr_2mce 1
. 4 . 1205 . 1 1 17 PHE HE1 H 8.002 0.974 -4.070 . . . 1.0 . . . . . . . . . . . . A . 17 PHE HE1 . . . . . . . . . rr_2mce 1
. 4 . 1206 . 1 1 17 PHE HE2 H 11.341 2.598 -2.014 . . . 1.0 . . . . . . . . . . . . A . 17 PHE HE2 . . . . . . . . . rr_2mce 1
. 4 . 1207 . 1 1 17 PHE HZ H 9.614 2.790 -3.743 . . . 1.0 . . . . . . . . . . . . A . 17 PHE HZ . . . . . . . . . rr_2mce 1
. 4 . 1208 . 1 1 17 PHE N N 8.752 -3.535 -1.605 . . . 1.0 . . . . . . . . . . . . A . 17 PHE N . . . . . . . . . rr_2mce 1
. 4 . 1209 . 1 1 17 PHE O O 12.219 -3.743 -0.766 . . . 1.0 . . . . . . . . . . . . A . 17 PHE O . . . . . . . . . rr_2mce 1
. 4 . 1210 . 1 1 18 VAL C C 11.826 -6.702 -0.003 . . . 1.0 . . . . . . . . . . . . A . 18 VAL C . . . . . . . . . rr_2mce 1
. 4 . 1211 . 1 1 18 VAL CA C 11.152 -5.682 0.916 . . . 1.0 . . . . . . . . . . . . A . 18 VAL CA . . . . . . . . . rr_2mce 1
. 4 . 1212 . 1 1 18 VAL CB C 10.246 -6.329 1.966 . . . 1.0 . . . . . . . . . . . . A . 18 VAL CB . . . . . . . . . rr_2mce 1
. 4 . 1213 . 1 1 18 VAL CG1 C 11.060 -7.173 2.948 . . . 1.0 . . . . . . . . . . . . A . 18 VAL CG1 . . . . . . . . . rr_2mce 1
. 4 . 1214 . 1 1 18 VAL CG2 C 9.420 -5.274 2.703 . . . 1.0 . . . . . . . . . . . . A . 18 VAL CG2 . . . . . . . . . rr_2mce 1
. 4 . 1215 . 1 1 18 VAL H H 9.397 -4.824 0.195 . . . 1.0 . . . . . . . . . . . . A . 18 VAL H . . . . . . . . . rr_2mce 1
. 4 . 1216 . 1 1 18 VAL HA H 11.924 -5.118 1.440 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HA . . . . . . . . . rr_2mce 1
. 4 . 1217 . 1 1 18 VAL HB H 9.555 -6.994 1.448 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HB . . . . . . . . . rr_2mce 1
. 4 . 1218 . 1 1 18 VAL HG11 H 11.597 -6.516 3.633 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HG11 . . . . . . . . . rr_2mce 1
. 4 . 1219 . 1 1 18 VAL HG12 H 10.390 -7.820 3.515 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HG12 . . . . . . . . . rr_2mce 1
. 4 . 1220 . 1 1 18 VAL HG13 H 11.774 -7.785 2.397 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HG13 . . . . . . . . . rr_2mce 1
. 4 . 1221 . 1 1 18 VAL HG21 H 8.370 -5.567 2.701 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HG21 . . . . . . . . . rr_2mce 1
. 4 . 1222 . 1 1 18 VAL HG22 H 9.772 -5.189 3.731 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HG22 . . . . . . . . . rr_2mce 1
. 4 . 1223 . 1 1 18 VAL HG23 H 9.529 -4.312 2.201 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HG23 . . . . . . . . . rr_2mce 1
. 4 . 1224 . 1 1 18 VAL N N 10.389 -4.742 0.113 . . . 1.0 . . . . . . . . . . . . A . 18 VAL N . . . . . . . . . rr_2mce 1
. 4 . 1225 . 1 1 18 VAL O O 12.902 -7.210 0.310 . . . 1.0 . . . . . . . . . . . . A . 18 VAL O . . . . . . . . . rr_2mce 1
. 4 . 1226 . 1 1 19 GLY C C 12.720 -7.263 -3.001 . . . 1.0 . . . . . . . . . . . . A . 19 GLY C . . . . . . . . . rr_2mce 1
. 4 . 1227 . 1 1 19 GLY CA C 11.687 -7.923 -2.086 . . . 1.0 . . . . . . . . . . . . A . 19 GLY CA . . . . . . . . . rr_2mce 1
. 4 . 1228 . 1 1 19 GLY H H 10.291 -6.556 -1.366 . . . 1.0 . . . . . . . . . . . . A . 19 GLY H . . . . . . . . . rr_2mce 1
. 4 . 1229 . 1 1 19 GLY HA2 H 12.142 -8.765 -1.565 . . . 1.0 . . . . . . . . . . . . A . 19 GLY HA2 . . . . . . . . . rr_2mce 1
. 4 . 1230 . 1 1 19 GLY HA3 H 10.869 -8.324 -2.684 . . . 1.0 . . . . . . . . . . . . A . 19 GLY HA3 . . . . . . . . . rr_2mce 1
. 4 . 1231 . 1 1 19 GLY N N 11.165 -6.972 -1.120 . . . 1.0 . . . . . . . . . . . . A . 19 GLY N . . . . . . . . . rr_2mce 1
. 4 . 1232 . 1 1 19 GLY O O 13.314 -7.925 -3.851 . . . 1.0 . . . . . . . . . . . . A . 19 GLY O . . . . . . . . . rr_2mce 1
. 4 . 1233 . 1 1 20 LEU C C 15.223 -5.244 -2.912 . . . 1.0 . . . . . . . . . . . . A . 20 LEU C . . . . . . . . . rr_2mce 1
. 4 . 1234 . 1 1 20 LEU CA C 13.854 -5.210 -3.593 . . . 1.0 . . . . . . . . . . . . A . 20 LEU CA . . . . . . . . . rr_2mce 1
. 4 . 1235 . 1 1 20 LEU CB C 13.330 -3.796 -3.852 . . . 1.0 . . . . . . . . . . . . A . 20 LEU CB . . . . . . . . . rr_2mce 1
. 4 . 1236 . 1 1 20 LEU CD1 C 11.310 -3.450 -5.321 . . . 1.0 . . . . . . . . . . . . A . 20 LEU CD1 . . . . . . . . . rr_2mce 1
. 4 . 1237 . 1 1 20 LEU CD2 C 13.482 -2.244 -5.834 . . . 1.0 . . . . . . . . . . . . A . 20 LEU CD2 . . . . . . . . . rr_2mce 1
. 4 . 1238 . 1 1 20 LEU CG C 12.838 -3.513 -5.273 . . . 1.0 . . . . . . . . . . . . A . 20 LEU CG . . . . . . . . . rr_2mce 1
. 4 . 1239 . 1 1 20 LEU H H 12.414 -5.436 -2.104 . . . 1.0 . . . . . . . . . . . . A . 20 LEU H . . . . . . . . . rr_2mce 1
. 4 . 1240 . 1 1 20 LEU HA H 13.936 -5.705 -4.561 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HA . . . . . . . . . rr_2mce 1
. 4 . 1241 . 1 1 20 LEU HB2 H 12.512 -3.601 -3.159 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HB2 . . . . . . . . . rr_2mce 1
. 4 . 1242 . 1 1 20 LEU HB3 H 14.124 -3.088 -3.616 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HB3 . . . . . . . . . rr_2mce 1
. 4 . 1243 . 1 1 20 LEU HD11 H 10.912 -4.442 -5.536 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HD11 . . . . . . . . . rr_2mce 1
. 4 . 1244 . 1 1 20 LEU HD12 H 10.930 -3.106 -4.359 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HD12 . . . . . . . . . rr_2mce 1
. 4 . 1245 . 1 1 20 LEU HD13 H 10.999 -2.757 -6.103 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HD13 . . . . . . . . . rr_2mce 1
. 4 . 1246 . 1 1 20 LEU HD21 H 14.407 -2.038 -5.295 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HD21 . . . . . . . . . rr_2mce 1
. 4 . 1247 . 1 1 20 LEU HD22 H 13.701 -2.385 -6.892 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HD22 . . . . . . . . . rr_2mce 1
. 4 . 1248 . 1 1 20 LEU HD23 H 12.797 -1.405 -5.713 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HD23 . . . . . . . . . rr_2mce 1
. 4 . 1249 . 1 1 20 LEU HG H 13.146 -4.340 -5.912 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HG . . . . . . . . . rr_2mce 1
. 4 . 1250 . 1 1 20 LEU N N 12.903 -5.966 -2.797 . . . 1.0 . . . . . . . . . . . . A . 20 LEU N . . . . . . . . . rr_2mce 1
. 4 . 1251 . 1 1 20 LEU O O 16.250 -5.068 -3.566 . . . 1.0 . . . . . . . . . . . . A . 20 LEU O . . . . . . . . . rr_2mce 1
. 4 . 1252 . 1 1 21 MET C C 17.014 -6.940 -0.848 . . . 1.0 . . . . . . . . . . . . A . 21 MET C . . . . . . . . . rr_2mce 1
. 4 . 1253 . 1 1 21 MET CA C 16.420 -5.529 -0.830 . . . 1.0 . . . . . . . . . . . . A . 21 MET CA . . . . . . . . . rr_2mce 1
. 4 . 1254 . 1 1 21 MET CB C 16.130 -5.116 0.615 . . . 1.0 . . . . . . . . . . . . A . 21 MET CB . . . . . . . . . rr_2mce 1
. 4 . 1255 . 1 1 21 MET CE C 18.406 -2.207 0.151 . . . 1.0 . . . . . . . . . . . . A . 21 MET CE . . . . . . . . . rr_2mce 1
. 4 . 1256 . 1 1 21 MET CG C 17.362 -4.478 1.260 . . . 1.0 . . . . . . . . . . . . A . 21 MET CG . . . . . . . . . rr_2mce 1
. 4 . 1257 . 1 1 21 MET H H 14.354 -5.612 -1.082 . . . 1.0 . . . . . . . . . . . . A . 21 MET H . . . . . . . . . rr_2mce 1
. 4 . 1258 . 1 1 21 MET HA H 17.106 -4.833 -1.312 . . . 1.0 . . . . . . . . . . . . A . 21 MET HA . . . . . . . . . rr_2mce 1
. 4 . 1259 . 1 1 21 MET HB2 H 15.299 -4.411 0.634 . . . 1.0 . . . . . . . . . . . . A . 21 MET HB2 . . . . . . . . . rr_2mce 1
. 4 . 1260 . 1 1 21 MET HB3 H 15.823 -5.988 1.192 . . . 1.0 . . . . . . . . . . . . A . 21 MET HB3 . . . . . . . . . rr_2mce 1
. 4 . 1261 . 1 1 21 MET HE1 H 17.961 -1.531 -0.580 . . . 1.0 . . . . . . . . . . . . A . 21 MET HE1 . . . . . . . . . rr_2mce 1
. 4 . 1262 . 1 1 21 MET HE2 H 19.217 -1.697 0.669 . . . 1.0 . . . . . . . . . . . . A . 21 MET HE2 . . . . . . . . . rr_2mce 1
. 4 . 1263 . 1 1 21 MET HE3 H 18.797 -3.088 -0.359 . . . 1.0 . . . . . . . . . . . . A . 21 MET HE3 . . . . . . . . . rr_2mce 1
. 4 . 1264 . 1 1 21 MET HG2 H 17.505 -4.878 2.264 . . . 1.0 . . . . . . . . . . . . A . 21 MET HG2 . . . . . . . . . rr_2mce 1
. 4 . 1265 . 1 1 21 MET HG3 H 18.255 -4.730 0.687 . . . 1.0 . . . . . . . . . . . . A . 21 MET HG3 . . . . . . . . . rr_2mce 1
. 4 . 1266 . 1 1 21 MET N N 15.193 -5.470 -1.607 . . . 1.0 . . . . . . . . . . . . A . 21 MET N . . . . . . . . . rr_2mce 1
. 4 . 1267 . 1 1 21 MET O O 16.341 -7.905 -0.491 . . . 1.0 . . . . . . . . . . . . A . 21 MET O . . . . . . . . . rr_2mce 1
. 4 . 1268 . 1 1 21 MET SD S 17.165 -2.706 1.333 . . . 1.0 . . . . . . . . . . . . A . 21 MET SD . . . . . . . . . rr_2mce 1
. 5 . 1269 . 1 1 1 ASP C C -14.511 7.411 3.465 . . . 1.0 . . . . . . . . . . . . A . 1 ASP C . . . . . . . . . rr_2mce 1
. 5 . 1270 . 1 1 1 ASP CA C -14.692 8.928 3.373 . . . 1.0 . . . . . . . . . . . . A . 1 ASP CA . . . . . . . . . rr_2mce 1
. 5 . 1271 . 1 1 1 ASP CB C -13.390 9.527 2.835 . . . 1.0 . . . . . . . . . . . . A . 1 ASP CB . . . . . . . . . rr_2mce 1
. 5 . 1272 . 1 1 1 ASP CG C -13.538 10.890 2.158 . . . 1.0 . . . . . . . . . . . . A . 1 ASP CG . . . . . . . . . rr_2mce 1
. 5 . 1273 . 1 1 1 ASP H1 H -14.436 10.221 4.985 . . . 1.0 . . . . . . . . . . . . A . 1 ASP H1 . . . . . . . . . rr_2mce 1
. 5 . 1274 . 1 1 1 ASP HA H -15.535 9.209 2.742 . . . 1.0 . . . . . . . . . . . . A . 1 ASP HA . . . . . . . . . rr_2mce 1
. 5 . 1275 . 1 1 1 ASP HB2 H -12.685 9.623 3.660 . . . 1.0 . . . . . . . . . . . . A . 1 ASP HB2 . . . . . . . . . rr_2mce 1
. 5 . 1276 . 1 1 1 ASP HB3 H -12.954 8.829 2.122 . . . 1.0 . . . . . . . . . . . . A . 1 ASP HB3 . . . . . . . . . rr_2mce 1
. 5 . 1277 . 1 1 1 ASP HD2 H -12.205 10.472 0.895 . . . 1.0 . . . . . . . . . . . . A . 1 ASP HD2 . . . . . . . . . rr_2mce 1
. 5 . 1278 . 1 1 1 ASP N N -15.007 9.455 4.689 . . . 1.0 . . . . . . . . . . . . A . 1 ASP N . . . . . . . . . rr_2mce 1
. 5 . 1279 . 1 1 1 ASP O O -13.809 6.919 4.348 . . . 1.0 . . . . . . . . . . . . A . 1 ASP O . . . . . . . . . rr_2mce 1
. 5 . 1280 . 1 1 1 ASP OD1 O -14.560 11.576 2.316 . . . 1.0 . . . . . . . . . . . . A . 1 ASP OD1 . . . . . . . . . rr_2mce 1
. 5 . 1281 . 1 1 1 ASP OD2 O -12.535 11.250 1.432 . . . 1.0 . . . . . . . . . . . . A . 1 ASP OD2 . . . . . . . . . rr_2mce 1
. 5 . 1282 . 1 1 2 ALA C C -13.854 4.843 1.687 . . . 1.0 . . . . . . . . . . . . A . 2 ALA C . . . . . . . . . rr_2mce 1
. 5 . 1283 . 1 1 2 ALA CA C -15.075 5.263 2.509 . . . 1.0 . . . . . . . . . . . . A . 2 ALA CA . . . . . . . . . rr_2mce 1
. 5 . 1284 . 1 1 2 ALA CB C -16.379 4.691 1.950 . . . 1.0 . . . . . . . . . . . . A . 2 ALA CB . . . . . . . . . rr_2mce 1
. 5 . 1285 . 1 1 2 ALA H H -15.724 7.120 1.828 . . . 1.0 . . . . . . . . . . . . A . 2 ALA H . . . . . . . . . rr_2mce 1
. 5 . 1286 . 1 1 2 ALA HA H -14.949 4.913 3.533 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HA . . . . . . . . . rr_2mce 1
. 5 . 1287 . 1 1 2 ALA HB1 H -16.944 4.221 2.755 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HB1 . . . . . . . . . rr_2mce 1
. 5 . 1288 . 1 1 2 ALA HB2 H -16.970 5.495 1.512 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HB2 . . . . . . . . . rr_2mce 1
. 5 . 1289 . 1 1 2 ALA HB3 H -16.151 3.948 1.184 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HB3 . . . . . . . . . rr_2mce 1
. 5 . 1290 . 1 1 2 ALA N N -15.156 6.713 2.542 . . . 1.0 . . . . . . . . . . . . A . 2 ALA N . . . . . . . . . rr_2mce 1
. 5 . 1291 . 1 1 2 ALA O O -13.149 3.903 2.051 . . . 1.0 . . . . . . . . . . . . A . 2 ALA O . . . . . . . . . rr_2mce 1
. 5 . 1292 . 1 1 3 GLY C C -11.203 5.735 0.342 . . . 1.0 . . . . . . . . . . . . A . 3 GLY C . . . . . . . . . rr_2mce 1
. 5 . 1293 . 1 1 3 GLY CA C -12.520 5.274 -0.284 . . . 1.0 . . . . . . . . . . . . A . 3 GLY CA . . . . . . . . . rr_2mce 1
. 5 . 1294 . 1 1 3 GLY H H -14.221 6.323 0.303 . . . 1.0 . . . . . . . . . . . . A . 3 GLY H . . . . . . . . . rr_2mce 1
. 5 . 1295 . 1 1 3 GLY HA2 H -12.475 4.204 -0.486 . . . 1.0 . . . . . . . . . . . . A . 3 GLY HA2 . . . . . . . . . rr_2mce 1
. 5 . 1296 . 1 1 3 GLY HA3 H -12.665 5.774 -1.242 . . . 1.0 . . . . . . . . . . . . A . 3 GLY HA3 . . . . . . . . . rr_2mce 1
. 5 . 1297 . 1 1 3 GLY N N -13.644 5.560 0.592 . . . 1.0 . . . . . . . . . . . . A . 3 GLY N . . . . . . . . . rr_2mce 1
. 5 . 1298 . 1 1 3 GLY O O -10.138 5.568 -0.249 . . . 1.0 . . . . . . . . . . . . A . 3 GLY O . . . . . . . . . rr_2mce 1
. 5 . 1299 . 1 1 4 HIS C C -9.246 5.615 2.613 . . . 1.0 . . . . . . . . . . . . A . 4 HIS C . . . . . . . . . rr_2mce 1
. 5 . 1300 . 1 1 4 HIS CA C -10.151 6.792 2.247 . . . 1.0 . . . . . . . . . . . . A . 4 HIS CA . . . . . . . . . rr_2mce 1
. 5 . 1301 . 1 1 4 HIS CB C -10.565 7.623 3.463 . . . 1.0 . . . . . . . . . . . . A . 4 HIS CB . . . . . . . . . rr_2mce 1
. 5 . 1302 . 1 1 4 HIS CD2 C -9.483 6.226 5.390 . . . 1.0 . . . . . . . . . . . . A . 4 HIS CD2 . . . . . . . . . rr_2mce 1
. 5 . 1303 . 1 1 4 HIS CE1 C -11.259 6.000 6.648 . . . 1.0 . . . . . . . . . . . . A . 4 HIS CE1 . . . . . . . . . rr_2mce 1
. 5 . 1304 . 1 1 4 HIS CG C -10.515 6.865 4.769 . . . 1.0 . . . . . . . . . . . . A . 4 HIS CG . . . . . . . . . rr_2mce 1
. 5 . 1305 . 1 1 4 HIS H H -12.190 6.437 2.007 . . . 1.0 . . . . . . . . . . . . A . 4 HIS H . . . . . . . . . rr_2mce 1
. 5 . 1306 . 1 1 4 HIS HA H -9.617 7.451 1.561 . . . 1.0 . . . . . . . . . . . . A . 4 HIS HA . . . . . . . . . rr_2mce 1
. 5 . 1307 . 1 1 4 HIS HB2 H -9.913 8.493 3.536 . . . 1.0 . . . . . . . . . . . . A . 4 HIS HB2 . . . . . . . . . rr_2mce 1
. 5 . 1308 . 1 1 4 HIS HB3 H -11.578 7.996 3.310 . . . 1.0 . . . . . . . . . . . . A . 4 HIS HB3 . . . . . . . . . rr_2mce 1
. 5 . 1309 . 1 1 4 HIS HD1 H -12.539 7.061 5.404 . . . 1.0 . . . . . . . . . . . . A . 4 HIS HD1 . . . . . . . . . rr_2mce 1
. 5 . 1310 . 1 1 4 HIS HD2 H -8.461 6.156 5.017 . . . 1.0 . . . . . . . . . . . . A . 4 HIS HD2 . . . . . . . . . rr_2mce 1
. 5 . 1311 . 1 1 4 HIS HE1 H -11.907 5.708 7.474 . . . 1.0 . . . . . . . . . . . . A . 4 HIS HE1 . . . . . . . . . rr_2mce 1
. 5 . 1312 . 1 1 4 HIS N N -11.320 6.306 1.533 . . . 1.0 . . . . . . . . . . . . A . 4 HIS N . . . . . . . . . rr_2mce 1
. 5 . 1313 . 1 1 4 HIS ND1 N -11.621 6.705 5.585 . . . 1.0 . . . . . . . . . . . . A . 4 HIS ND1 . . . . . . . . . rr_2mce 1
. 5 . 1314 . 1 1 4 HIS NE2 N -9.934 5.705 6.525 . . . 1.0 . . . . . . . . . . . . A . 4 HIS NE2 . . . . . . . . . rr_2mce 1
. 5 . 1315 . 1 1 4 HIS O O -8.048 5.792 2.829 . . . 1.0 . . . . . . . . . . . . A . 4 HIS O . . . . . . . . . rr_2mce 1
. 5 . 1316 . 1 1 5 GLY C C -8.451 2.633 1.766 . . . 1.0 . . . . . . . . . . . . A . 5 GLY C . . . . . . . . . rr_2mce 1
. 5 . 1317 . 1 1 5 GLY CA C -9.117 3.232 3.007 . . . 1.0 . . . . . . . . . . . . A . 5 GLY CA . . . . . . . . . rr_2mce 1
. 5 . 1318 . 1 1 5 GLY H H -10.828 4.304 2.494 . . . 1.0 . . . . . . . . . . . . A . 5 GLY H . . . . . . . . . rr_2mce 1
. 5 . 1319 . 1 1 5 GLY HA2 H -8.359 3.461 3.755 . . . 1.0 . . . . . . . . . . . . A . 5 GLY HA2 . . . . . . . . . rr_2mce 1
. 5 . 1320 . 1 1 5 GLY HA3 H -9.792 2.501 3.450 . . . 1.0 . . . . . . . . . . . . A . 5 GLY HA3 . . . . . . . . . rr_2mce 1
. 5 . 1321 . 1 1 5 GLY N N -9.853 4.439 2.671 . . . 1.0 . . . . . . . . . . . . A . 5 GLY N . . . . . . . . . rr_2mce 1
. 5 . 1322 . 1 1 5 GLY O O -7.563 1.790 1.880 . . . 1.0 . . . . . . . . . . . . A . 5 GLY O . . . . . . . . . rr_2mce 1
. 5 . 1323 . 1 1 6 GLN C C -6.980 3.211 -0.896 . . . 1.0 . . . . . . . . . . . . A . 6 GLN C . . . . . . . . . rr_2mce 1
. 5 . 1324 . 1 1 6 GLN CA C -8.366 2.612 -0.651 . . . 1.0 . . . . . . . . . . . . A . 6 GLN CA . . . . . . . . . rr_2mce 1
. 5 . 1325 . 1 1 6 GLN CB C -9.313 2.928 -1.809 . . . 1.0 . . . . . . . . . . . . A . 6 GLN CB . . . . . . . . . rr_2mce 1
. 5 . 1326 . 1 1 6 GLN CD C -11.349 1.528 -1.306 . . . 1.0 . . . . . . . . . . . . A . 6 GLN CD . . . . . . . . . rr_2mce 1
. 5 . 1327 . 1 1 6 GLN CG C -10.124 1.693 -2.208 . . . 1.0 . . . . . . . . . . . . A . 6 GLN CG . . . . . . . . . rr_2mce 1
. 5 . 1328 . 1 1 6 GLN H H -9.628 3.778 0.526 . . . 1.0 . . . . . . . . . . . . A . 6 GLN H . . . . . . . . . rr_2mce 1
. 5 . 1329 . 1 1 6 GLN HA H -8.287 1.530 -0.538 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HA . . . . . . . . . rr_2mce 1
. 5 . 1330 . 1 1 6 GLN HB2 H -9.989 3.734 -1.522 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HB2 . . . . . . . . . rr_2mce 1
. 5 . 1331 . 1 1 6 GLN HB3 H -8.740 3.284 -2.666 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HB3 . . . . . . . . . rr_2mce 1
. 5 . 1332 . 1 1 6 GLN HE21 H -12.484 2.323 -2.782 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HE21 . . . . . . . . . rr_2mce 1
. 5 . 1333 . 1 1 6 GLN HE22 H -13.343 1.877 -1.345 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HE22 . . . . . . . . . rr_2mce 1
. 5 . 1334 . 1 1 6 GLN HG2 H -10.442 1.783 -3.247 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HG2 . . . . . . . . . rr_2mce 1
. 5 . 1335 . 1 1 6 GLN HG3 H -9.497 0.805 -2.142 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HG3 . . . . . . . . . rr_2mce 1
. 5 . 1336 . 1 1 6 GLN N N -8.906 3.093 0.610 . . . 1.0 . . . . . . . . . . . . A . 6 GLN N . . . . . . . . . rr_2mce 1
. 5 . 1337 . 1 1 6 GLN NE2 N -12.486 1.944 -1.857 . . . 1.0 . . . . . . . . . . . . A . 6 GLN NE2 . . . . . . . . . rr_2mce 1
. 5 . 1338 . 1 1 6 GLN O O -6.195 2.672 -1.676 . . . 1.0 . . . . . . . . . . . . A . 6 GLN O . . . . . . . . . rr_2mce 1
. 5 . 1339 . 1 1 6 GLN OE1 O -11.267 1.054 -0.185 . . . 1.0 . . . . . . . . . . . . A . 6 GLN OE1 . . . . . . . . . rr_2mce 1
. 5 . 1340 . 1 1 7 ILE C C -4.329 4.091 0.184 . . . 1.0 . . . . . . . . . . . . A . 7 ILE C . . . . . . . . . rr_2mce 1
. 5 . 1341 . 1 1 7 ILE CA C -5.442 4.996 -0.352 . . . 1.0 . . . . . . . . . . . . A . 7 ILE CA . . . . . . . . . rr_2mce 1
. 5 . 1342 . 1 1 7 ILE CB C -5.491 6.371 0.317 . . . 1.0 . . . . . . . . . . . . A . 7 ILE CB . . . . . . . . . rr_2mce 1
. 5 . 1343 . 1 1 7 ILE CD1 C -4.080 6.476 2.406 . . . 1.0 . . . . . . . . . . . . A . 7 ILE CD1 . . . . . . . . . rr_2mce 1
. 5 . 1344 . 1 1 7 ILE CG1 C -5.484 6.239 1.842 . . . 1.0 . . . . . . . . . . . . A . 7 ILE CG1 . . . . . . . . . rr_2mce 1
. 5 . 1345 . 1 1 7 ILE CG2 C -6.689 7.182 -0.182 . . . 1.0 . . . . . . . . . . . . A . 7 ILE CG2 . . . . . . . . . rr_2mce 1
. 5 . 1346 . 1 1 7 ILE H H -7.363 4.750 0.416 . . . 1.0 . . . . . . . . . . . . A . 7 ILE H . . . . . . . . . rr_2mce 1
. 5 . 1347 . 1 1 7 ILE HA H -5.270 5.162 -1.416 . . . 1.0 . . . . . . . . . . . . A . 7 ILE HA . . . . . . . . . rr_2mce 1
. 5 . 1348 . 1 1 7 ILE HB H -4.592 6.920 0.038 . . . 1.0 . . . . . . . . . . . . A . 7 ILE HB . . . . . . . . . rr_2mce 1
. 5 . 1349 . 1 1 7 ILE HD11 H -4.158 6.835 3.432 . . . 1.0 . . . . . . . . . . . . A . 7 ILE HD11 . . . . . . . . . rr_2mce 1
. 5 . 1350 . 1 1 7 ILE HD12 H -3.520 5.541 2.389 . . . 1.0 . . . . . . . . . . . . A . 7 ILE HD12 . . . . . . . . . rr_2mce 1
. 5 . 1351 . 1 1 7 ILE HD13 H -3.566 7.219 1.798 . . . 1.0 . . . . . . . . . . . . A . 7 ILE HD13 . . . . . . . . . rr_2mce 1
. 5 . 1352 . 1 1 7 ILE HG12 H -6.180 6.956 2.276 . . . 1.0 . . . . . . . . . . . . A . 7 ILE HG12 . . . . . . . . . rr_2mce 1
. 5 . 1353 . 1 1 7 ILE HG13 H -5.831 5.245 2.127 . . . 1.0 . . . . . . . . . . . . A . 7 ILE HG13 . . . . . . . . . rr_2mce 1
. 5 . 1354 . 1 1 7 ILE HG21 H -7.511 6.505 -0.419 . . . 1.0 . . . . . . . . . . . . A . 7 ILE HG21 . . . . . . . . . rr_2mce 1
. 5 . 1355 . 1 1 7 ILE HG22 H -7.004 7.879 0.594 . . . 1.0 . . . . . . . . . . . . A . 7 ILE HG22 . . . . . . . . . rr_2mce 1
. 5 . 1356 . 1 1 7 ILE HG23 H -6.405 7.737 -1.075 . . . 1.0 . . . . . . . . . . . . A . 7 ILE HG23 . . . . . . . . . rr_2mce 1
. 5 . 1357 . 1 1 7 ILE N N -6.720 4.319 -0.217 . . . 1.0 . . . . . . . . . . . . A . 7 ILE N . . . . . . . . . rr_2mce 1
. 5 . 1358 . 1 1 7 ILE O O -3.167 4.245 -0.188 . . . 1.0 . . . . . . . . . . . . A . 7 ILE O . . . . . . . . . rr_2mce 1
. 5 . 1359 . 1 1 8 SER C C -3.465 1.113 0.649 . . . 1.0 . . . . . . . . . . . . A . 8 SER C . . . . . . . . . rr_2mce 1
. 5 . 1360 . 1 1 8 SER CA C -3.778 2.239 1.637 . . . 1.0 . . . . . . . . . . . . A . 8 SER CA . . . . . . . . . rr_2mce 1
. 5 . 1361 . 1 1 8 SER CB C -4.315 1.661 2.948 . . . 1.0 . . . . . . . . . . . . A . 8 SER CB . . . . . . . . . rr_2mce 1
. 5 . 1362 . 1 1 8 SER H H -5.674 3.051 1.345 . . . 1.0 . . . . . . . . . . . . A . 8 SER H . . . . . . . . . rr_2mce 1
. 5 . 1363 . 1 1 8 SER HA H -2.884 2.828 1.841 . . . 1.0 . . . . . . . . . . . . A . 8 SER HA . . . . . . . . . rr_2mce 1
. 5 . 1364 . 1 1 8 SER HB2 H -4.796 2.452 3.523 . . . 1.0 . . . . . . . . . . . . A . 8 SER HB2 . . . . . . . . . rr_2mce 1
. 5 . 1365 . 1 1 8 SER HB3 H -5.081 0.917 2.729 . . . 1.0 . . . . . . . . . . . . A . 8 SER HB3 . . . . . . . . . rr_2mce 1
. 5 . 1366 . 1 1 8 SER HG H -3.046 0.169 3.355 . . . 1.0 . . . . . . . . . . . . A . 8 SER HG . . . . . . . . . rr_2mce 1
. 5 . 1367 . 1 1 8 SER N N -4.726 3.169 1.047 . . . 1.0 . . . . . . . . . . . . A . 8 SER N . . . . . . . . . rr_2mce 1
. 5 . 1368 . 1 1 8 SER O O -2.449 0.433 0.779 . . . 1.0 . . . . . . . . . . . . A . 8 SER O . . . . . . . . . rr_2mce 1
. 5 . 1369 . 1 1 8 SER OG O -3.285 1.064 3.731 . . . 1.0 . . . . . . . . . . . . A . 8 SER OG . . . . . . . . . rr_2mce 1
. 5 . 1370 . 1 1 9 HIS C C -3.023 0.285 -2.244 . . . 1.0 . . . . . . . . . . . . A . 9 HIS C . . . . . . . . . rr_2mce 1
. 5 . 1371 . 1 1 9 HIS CA C -4.191 -0.080 -1.326 . . . 1.0 . . . . . . . . . . . . A . 9 HIS CA . . . . . . . . . rr_2mce 1
. 5 . 1372 . 1 1 9 HIS CB C -5.496 -0.310 -2.090 . . . 1.0 . . . . . . . . . . . . A . 9 HIS CB . . . . . . . . . rr_2mce 1
. 5 . 1373 . 1 1 9 HIS CD2 C -6.545 -2.328 -0.800 . . . 1.0 . . . . . . . . . . . . A . 9 HIS CD2 . . . . . . . . . rr_2mce 1
. 5 . 1374 . 1 1 9 HIS CE1 C -6.753 -3.703 -2.488 . . . 1.0 . . . . . . . . . . . . A . 9 HIS CE1 . . . . . . . . . rr_2mce 1
. 5 . 1375 . 1 1 9 HIS CG C -6.075 -1.694 -1.912 . . . 1.0 . . . . . . . . . . . . A . 9 HIS CG . . . . . . . . . rr_2mce 1
. 5 . 1376 . 1 1 9 HIS H H -5.183 1.508 -0.415 . . . 1.0 . . . . . . . . . . . . A . 9 HIS H . . . . . . . . . rr_2mce 1
. 5 . 1377 . 1 1 9 HIS HA H -3.949 -1.001 -0.794 . . . 1.0 . . . . . . . . . . . . A . 9 HIS HA . . . . . . . . . rr_2mce 1
. 5 . 1378 . 1 1 9 HIS HB2 H -6.231 0.425 -1.763 . . . 1.0 . . . . . . . . . . . . A . 9 HIS HB2 . . . . . . . . . rr_2mce 1
. 5 . 1379 . 1 1 9 HIS HB3 H -5.319 -0.135 -3.151 . . . 1.0 . . . . . . . . . . . . A . 9 HIS HB3 . . . . . . . . . rr_2mce 1
. 5 . 1380 . 1 1 9 HIS HD1 H -5.964 -2.416 -3.912 . . . 1.0 . . . . . . . . . . . . A . 9 HIS HD1 . . . . . . . . . rr_2mce 1
. 5 . 1381 . 1 1 9 HIS HD2 H -6.577 -1.909 0.206 . . . 1.0 . . . . . . . . . . . . A . 9 HIS HD2 . . . . . . . . . rr_2mce 1
. 5 . 1382 . 1 1 9 HIS HE1 H -6.989 -4.595 -3.068 . . . 1.0 . . . . . . . . . . . . A . 9 HIS HE1 . . . . . . . . . rr_2mce 1
. 5 . 1383 . 1 1 9 HIS N N -4.358 0.951 -0.316 . . . 1.0 . . . . . . . . . . . . A . 9 HIS N . . . . . . . . . rr_2mce 1
. 5 . 1384 . 1 1 9 HIS ND1 N -6.218 -2.586 -2.960 . . . 1.0 . . . . . . . . . . . . A . 9 HIS ND1 . . . . . . . . . rr_2mce 1
. 5 . 1385 . 1 1 9 HIS NE2 N -6.954 -3.541 -1.150 . . . 1.0 . . . . . . . . . . . . A . 9 HIS NE2 . . . . . . . . . rr_2mce 1
. 5 . 1386 . 1 1 9 HIS O O -2.498 -0.569 -2.958 . . . 1.0 . . . . . . . . . . . . A . 9 HIS O . . . . . . . . . rr_2mce 1
. 5 . 1387 . 1 1 10 LYS C C -0.227 1.770 -2.300 . . . 1.0 . . . . . . . . . . . . A . 10 LYS C . . . . . . . . . rr_2mce 1
. 5 . 1388 . 1 1 10 LYS CA C -1.552 2.045 -3.014 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CA . . . . . . . . . rr_2mce 1
. 5 . 1389 . 1 1 10 LYS CB C -1.766 3.517 -3.371 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CB . . . . . . . . . rr_2mce 1
. 5 . 1390 . 1 1 10 LYS CD C -1.792 5.814 -2.328 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CD . . . . . . . . . rr_2mce 1
. 5 . 1391 . 1 1 10 LYS CE C -0.742 6.923 -2.266 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CE . . . . . . . . . rr_2mce 1
. 5 . 1392 . 1 1 10 LYS CG C -1.132 4.433 -2.322 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CG . . . . . . . . . rr_2mce 1
. 5 . 1393 . 1 1 10 LYS H H -3.081 2.244 -1.612 . . . 1.0 . . . . . . . . . . . . A . 10 LYS H . . . . . . . . . rr_2mce 1
. 5 . 1394 . 1 1 10 LYS HA H -1.565 1.482 -3.947 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HA . . . . . . . . . rr_2mce 1
. 5 . 1395 . 1 1 10 LYS HB2 H -1.333 3.725 -4.349 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HB2 . . . . . . . . . rr_2mce 1
. 5 . 1396 . 1 1 10 LYS HB3 H -2.833 3.726 -3.445 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HB3 . . . . . . . . . rr_2mce 1
. 5 . 1397 . 1 1 10 LYS HD2 H -2.395 5.928 -3.229 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HD2 . . . . . . . . . rr_2mce 1
. 5 . 1398 . 1 1 10 LYS HD3 H -2.470 5.900 -1.478 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HD3 . . . . . . . . . rr_2mce 1
. 5 . 1399 . 1 1 10 LYS HE2 H 0.073 6.700 -2.954 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HE2 . . . . . . . . . rr_2mce 1
. 5 . 1400 . 1 1 10 LYS HE3 H -1.182 7.866 -2.589 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HE3 . . . . . . . . . rr_2mce 1
. 5 . 1401 . 1 1 10 LYS HG2 H -1.232 3.982 -1.334 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HG2 . . . . . . . . . rr_2mce 1
. 5 . 1402 . 1 1 10 LYS HG3 H -0.065 4.535 -2.520 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HG3 . . . . . . . . . rr_2mce 1
. 5 . 1403 . 1 1 10 LYS HZ1 H -0.919 7.402 -0.245 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HZ1 . . . . . . . . . rr_2mce 1
. 5 . 1404 . 1 1 10 LYS HZ3 H 0.563 7.711 -0.845 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HZ3 . . . . . . . . . rr_2mce 1
. 5 . 1405 . 1 1 10 LYS N N -2.649 1.555 -2.195 . . . 1.0 . . . . . . . . . . . . A . 10 LYS N . . . . . . . . . rr_2mce 1
. 5 . 1406 . 1 1 10 LYS NZ N -0.215 7.062 -0.890 . . . 1.0 . . . . . . . . . . . . A . 10 LYS NZ . . . . . . . . . rr_2mce 1
. 5 . 1407 . 1 1 10 LYS O O 0.835 1.810 -2.920 . . . 1.0 . . . . . . . . . . . . A . 10 LYS O . . . . . . . . . rr_2mce 1
. 5 . 1408 . 1 1 11 ARG C C 1.300 -0.226 -0.416 . . . 1.0 . . . . . . . . . . . . A . 11 ARG C . . . . . . . . . rr_2mce 1
. 5 . 1409 . 1 1 11 ARG CA C 0.845 1.218 -0.204 . . . 1.0 . . . . . . . . . . . . A . 11 ARG CA . . . . . . . . . rr_2mce 1
. 5 . 1410 . 1 1 11 ARG CB C 0.562 1.443 1.283 . . . 1.0 . . . . . . . . . . . . A . 11 ARG CB . . . . . . . . . rr_2mce 1
. 5 . 1411 . 1 1 11 ARG CD C 1.053 3.721 2.248 . . . 1.0 . . . . . . . . . . . . A . 11 ARG CD . . . . . . . . . rr_2mce 1
. 5 . 1412 . 1 1 11 ARG CG C 0.017 2.852 1.531 . . . 1.0 . . . . . . . . . . . . A . 11 ARG CG . . . . . . . . . rr_2mce 1
. 5 . 1413 . 1 1 11 ARG CZ C -0.076 3.566 4.474 . . . 1.0 . . . . . . . . . . . . A . 11 ARG CZ . . . . . . . . . rr_2mce 1
. 5 . 1414 . 1 1 11 ARG H H -1.201 1.469 -0.512 . . . 1.0 . . . . . . . . . . . . A . 11 ARG H . . . . . . . . . rr_2mce 1
. 5 . 1415 . 1 1 11 ARG HA H 1.597 1.923 -0.556 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HA . . . . . . . . . rr_2mce 1
. 5 . 1416 . 1 1 11 ARG HB2 H -0.158 0.704 1.636 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HB2 . . . . . . . . . rr_2mce 1
. 5 . 1417 . 1 1 11 ARG HB3 H 1.477 1.296 1.857 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HB3 . . . . . . . . . rr_2mce 1
. 5 . 1418 . 1 1 11 ARG HD2 H 1.930 3.124 2.500 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HD2 . . . . . . . . . rr_2mce 1
. 5 . 1419 . 1 1 11 ARG HD3 H 1.391 4.518 1.586 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HD3 . . . . . . . . . rr_2mce 1
. 5 . 1420 . 1 1 11 ARG HE H 0.468 5.294 3.575 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HE . . . . . . . . . rr_2mce 1
. 5 . 1421 . 1 1 11 ARG HG2 H -0.255 3.312 0.582 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HG2 . . . . . . . . . rr_2mce 1
. 5 . 1422 . 1 1 11 ARG HG3 H -0.891 2.795 2.130 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HG3 . . . . . . . . . rr_2mce 1
. 5 . 1423 . 1 1 11 ARG HH11 H 0.271 1.756 3.593 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HH11 . . . . . . . . . rr_2mce 1
. 5 . 1424 . 1 1 11 ARG HH12 H -0.510 1.684 5.138 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HH12 . . . . . . . . . rr_2mce 1
. 5 . 1425 . 1 1 11 ARG HH22 H -0.991 3.721 6.306 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HH22 . . . . . . . . . rr_2mce 1
. 5 . 1426 . 1 1 11 ARG N N -0.332 1.499 -1.008 . . . 1.0 . . . . . . . . . . . . A . 11 ARG N . . . . . . . . . rr_2mce 1
. 5 . 1427 . 1 1 11 ARG NE N 0.465 4.299 3.477 . . . 1.0 . . . . . . . . . . . . A . 11 ARG NE . . . . . . . . . rr_2mce 1
. 5 . 1428 . 1 1 11 ARG NH1 N -0.108 2.220 4.394 . . . 1.0 . . . . . . . . . . . . A . 11 ARG NH1 . . . . . . . . . rr_2mce 1
. 5 . 1429 . 1 1 11 ARG NH2 N -0.573 4.188 5.527 . . . 1.0 . . . . . . . . . . . . A . 11 ARG NH2 . . . . . . . . . rr_2mce 1
. 5 . 1430 . 1 1 11 ARG O O 2.250 -0.682 0.221 . . . 1.0 . . . . . . . . . . . . A . 11 ARG O . . . . . . . . . rr_2mce 1
. 5 . 1431 . 1 1 12 HIS C C 2.312 -2.367 -2.257 . . . 1.0 . . . . . . . . . . . . A . 12 HIS C . . . . . . . . . rr_2mce 1
. 5 . 1432 . 1 1 12 HIS CA C 0.925 -2.292 -1.618 . . . 1.0 . . . . . . . . . . . . A . 12 HIS CA . . . . . . . . . rr_2mce 1
. 5 . 1433 . 1 1 12 HIS CB C -0.164 -2.924 -2.488 . . . 1.0 . . . . . . . . . . . . A . 12 HIS CB . . . . . . . . . rr_2mce 1
. 5 . 1434 . 1 1 12 HIS CD2 C 0.221 -3.143 -5.064 . . . 1.0 . . . . . . . . . . . . A . 12 HIS CD2 . . . . . . . . . rr_2mce 1
. 5 . 1435 . 1 1 12 HIS CE1 C -0.371 -1.118 -5.642 . . . 1.0 . . . . . . . . . . . . A . 12 HIS CE1 . . . . . . . . . rr_2mce 1
. 5 . 1436 . 1 1 12 HIS CG C -0.135 -2.475 -3.929 . . . 1.0 . . . . . . . . . . . . A . 12 HIS CG . . . . . . . . . rr_2mce 1
. 5 . 1437 . 1 1 12 HIS H H -0.168 -0.530 -1.827 . . . 1.0 . . . . . . . . . . . . A . 12 HIS H . . . . . . . . . rr_2mce 1
. 5 . 1438 . 1 1 12 HIS HA H 0.942 -2.824 -0.668 . . . 1.0 . . . . . . . . . . . . A . 12 HIS HA . . . . . . . . . rr_2mce 1
. 5 . 1439 . 1 1 12 HIS HB2 H -0.058 -4.007 -2.453 . . . 1.0 . . . . . . . . . . . . A . 12 HIS HB2 . . . . . . . . . rr_2mce 1
. 5 . 1440 . 1 1 12 HIS HB3 H -1.138 -2.684 -2.063 . . . 1.0 . . . . . . . . . . . . A . 12 HIS HB3 . . . . . . . . . rr_2mce 1
. 5 . 1441 . 1 1 12 HIS HD1 H -0.817 -0.468 -3.722 . . . 1.0 . . . . . . . . . . . . A . 12 HIS HD1 . . . . . . . . . rr_2mce 1
. 5 . 1442 . 1 1 12 HIS HD2 H 0.567 -4.176 -5.113 . . . 1.0 . . . . . . . . . . . . A . 12 HIS HD2 . . . . . . . . . rr_2mce 1
. 5 . 1443 . 1 1 12 HIS HE1 H -0.583 -0.240 -6.252 . . . 1.0 . . . . . . . . . . . . A . 12 HIS HE1 . . . . . . . . . rr_2mce 1
. 5 . 1444 . 1 1 12 HIS N N 0.603 -0.908 -1.314 . . . 1.0 . . . . . . . . . . . . A . 12 HIS N . . . . . . . . . rr_2mce 1
. 5 . 1445 . 1 1 12 HIS ND1 N -0.504 -1.201 -4.326 . . . 1.0 . . . . . . . . . . . . A . 12 HIS ND1 . . . . . . . . . rr_2mce 1
. 5 . 1446 . 1 1 12 HIS NE2 N 0.079 -2.323 -6.097 . . . 1.0 . . . . . . . . . . . . A . 12 HIS NE2 . . . . . . . . . rr_2mce 1
. 5 . 1447 . 1 1 12 HIS O O 2.994 -3.387 -2.152 . . . 1.0 . . . . . . . . . . . . A . 12 HIS O . . . . . . . . . rr_2mce 1
. 5 . 1448 . 1 1 13 LYS C C 5.089 -1.179 -2.501 . . . 1.0 . . . . . . . . . . . . A . 13 LYS C . . . . . . . . . rr_2mce 1
. 5 . 1449 . 1 1 13 LYS CA C 3.986 -1.205 -3.561 . . . 1.0 . . . . . . . . . . . . A . 13 LYS CA . . . . . . . . . rr_2mce 1
. 5 . 1450 . 1 1 13 LYS CB C 4.033 -0.021 -4.528 . . . 1.0 . . . . . . . . . . . . A . 13 LYS CB . . . . . . . . . rr_2mce 1
. 5 . 1451 . 1 1 13 LYS CD C 2.794 1.091 -6.422 . . . 1.0 . . . . . . . . . . . . A . 13 LYS CD . . . . . . . . . rr_2mce 1
. 5 . 1452 . 1 1 13 LYS CE C 1.362 1.568 -6.170 . . . 1.0 . . . . . . . . . . . . A . 13 LYS CE . . . . . . . . . rr_2mce 1
. 5 . 1453 . 1 1 13 LYS CG C 3.069 -0.228 -5.697 . . . 1.0 . . . . . . . . . . . . A . 13 LYS CG . . . . . . . . . rr_2mce 1
. 5 . 1454 . 1 1 13 LYS H H 2.131 -0.451 -2.986 . . . 1.0 . . . . . . . . . . . . A . 13 LYS H . . . . . . . . . rr_2mce 1
. 5 . 1455 . 1 1 13 LYS HA H 4.100 -2.111 -4.156 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HA . . . . . . . . . rr_2mce 1
. 5 . 1456 . 1 1 13 LYS HB2 H 3.775 0.896 -3.998 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HB2 . . . . . . . . . rr_2mce 1
. 5 . 1457 . 1 1 13 LYS HB3 H 5.048 0.105 -4.905 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HB3 . . . . . . . . . rr_2mce 1
. 5 . 1458 . 1 1 13 LYS HD2 H 3.500 1.850 -6.084 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HD2 . . . . . . . . . rr_2mce 1
. 5 . 1459 . 1 1 13 LYS HD3 H 2.955 0.962 -7.493 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HD3 . . . . . . . . . rr_2mce 1
. 5 . 1460 . 1 1 13 LYS HE2 H 0.884 0.926 -5.430 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HE2 . . . . . . . . . rr_2mce 1
. 5 . 1461 . 1 1 13 LYS HE3 H 1.377 2.576 -5.755 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HE3 . . . . . . . . . rr_2mce 1
. 5 . 1462 . 1 1 13 LYS HG2 H 3.491 -0.951 -6.397 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HG2 . . . . . . . . . rr_2mce 1
. 5 . 1463 . 1 1 13 LYS HG3 H 2.132 -0.648 -5.331 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HG3 . . . . . . . . . rr_2mce 1
. 5 . 1464 . 1 1 13 LYS HZ1 H -0.412 1.447 -7.255 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HZ1 . . . . . . . . . rr_2mce 1
. 5 . 1465 . 1 1 13 LYS HZ3 H 0.857 0.791 -8.036 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HZ3 . . . . . . . . . rr_2mce 1
. 5 . 1466 . 1 1 13 LYS N N 2.691 -1.276 -2.905 . . . 1.0 . . . . . . . . . . . . A . 13 LYS N . . . . . . . . . rr_2mce 1
. 5 . 1467 . 1 1 13 LYS NZ N 0.582 1.553 -7.426 . . . 1.0 . . . . . . . . . . . . A . 13 LYS NZ . . . . . . . . . rr_2mce 1
. 5 . 1468 . 1 1 13 LYS O O 6.230 -1.547 -2.778 . . . 1.0 . . . . . . . . . . . . A . 13 LYS O . . . . . . . . . rr_2mce 1
. 5 . 1469 . 1 1 14 THR C C 5.941 -2.057 0.349 . . . 1.0 . . . . . . . . . . . . A . 14 THR C . . . . . . . . . rr_2mce 1
. 5 . 1470 . 1 1 14 THR CA C 5.653 -0.662 -0.207 . . . 1.0 . . . . . . . . . . . . A . 14 THR CA . . . . . . . . . rr_2mce 1
. 5 . 1471 . 1 1 14 THR CB C 5.082 0.302 0.835 . . . 1.0 . . . . . . . . . . . . A . 14 THR CB . . . . . . . . . rr_2mce 1
. 5 . 1472 . 1 1 14 THR CG2 C 6.066 0.584 1.972 . . . 1.0 . . . . . . . . . . . . A . 14 THR CG2 . . . . . . . . . rr_2mce 1
. 5 . 1473 . 1 1 14 THR H H 3.780 -0.444 -1.093 . . . 1.0 . . . . . . . . . . . . A . 14 THR H . . . . . . . . . rr_2mce 1
. 5 . 1474 . 1 1 14 THR HA H 6.596 -0.269 -0.588 . . . 1.0 . . . . . . . . . . . . A . 14 THR HA . . . . . . . . . rr_2mce 1
. 5 . 1475 . 1 1 14 THR HB H 4.131 -0.064 1.224 . . . 1.0 . . . . . . . . . . . . A . 14 THR HB . . . . . . . . . rr_2mce 1
. 5 . 1476 . 1 1 14 THR HG1 H 4.059 1.912 0.228 . . . 1.0 . . . . . . . . . . . . A . 14 THR HG1 . . . . . . . . . rr_2mce 1
. 5 . 1477 . 1 1 14 THR HG21 H 6.299 -0.346 2.490 . . . 1.0 . . . . . . . . . . . . A . 14 THR HG21 . . . . . . . . . rr_2mce 1
. 5 . 1478 . 1 1 14 THR HG22 H 6.981 1.013 1.563 . . . 1.0 . . . . . . . . . . . . A . 14 THR HG22 . . . . . . . . . rr_2mce 1
. 5 . 1479 . 1 1 14 THR HG23 H 5.617 1.288 2.674 . . . 1.0 . . . . . . . . . . . . A . 14 THR HG23 . . . . . . . . . rr_2mce 1
. 5 . 1480 . 1 1 14 THR N N 4.710 -0.741 -1.310 . . . 1.0 . . . . . . . . . . . . A . 14 THR N . . . . . . . . . rr_2mce 1
. 5 . 1481 . 1 1 14 THR O O 6.987 -2.285 0.956 . . . 1.0 . . . . . . . . . . . . A . 14 THR O . . . . . . . . . rr_2mce 1
. 5 . 1482 . 1 1 14 THR OG1 O 4.986 1.544 0.143 . . . 1.0 . . . . . . . . . . . . A . 14 THR OG1 . . . . . . . . . rr_2mce 1
. 5 . 1483 . 1 1 15 ASP C C 6.135 -5.066 -0.292 . . . 1.0 . . . . . . . . . . . . A . 15 ASP C . . . . . . . . . rr_2mce 1
. 5 . 1484 . 1 1 15 ASP CA C 5.133 -4.324 0.595 . . . 1.0 . . . . . . . . . . . . A . 15 ASP CA . . . . . . . . . rr_2mce 1
. 5 . 1485 . 1 1 15 ASP CB C 3.799 -5.068 0.526 . . . 1.0 . . . . . . . . . . . . A . 15 ASP CB . . . . . . . . . rr_2mce 1
. 5 . 1486 . 1 1 15 ASP CG C 2.828 -4.765 1.669 . . . 1.0 . . . . . . . . . . . . A . 15 ASP CG . . . . . . . . . rr_2mce 1
. 5 . 1487 . 1 1 15 ASP H H 4.146 -2.764 -0.370 . . . 1.0 . . . . . . . . . . . . A . 15 ASP H . . . . . . . . . rr_2mce 1
. 5 . 1488 . 1 1 15 ASP HA H 5.474 -4.237 1.627 . . . 1.0 . . . . . . . . . . . . A . 15 ASP HA . . . . . . . . . rr_2mce 1
. 5 . 1489 . 1 1 15 ASP HB2 H 3.312 -4.824 -0.418 . . . 1.0 . . . . . . . . . . . . A . 15 ASP HB2 . . . . . . . . . rr_2mce 1
. 5 . 1490 . 1 1 15 ASP HB3 H 3.998 -6.140 0.513 . . . 1.0 . . . . . . . . . . . . A . 15 ASP HB3 . . . . . . . . . rr_2mce 1
. 5 . 1491 . 1 1 15 ASP HD2 H 1.744 -5.752 2.850 . . . 1.0 . . . . . . . . . . . . A . 15 ASP HD2 . . . . . . . . . rr_2mce 1
. 5 . 1492 . 1 1 15 ASP N N 4.994 -2.956 0.124 . . . 1.0 . . . . . . . . . . . . A . 15 ASP N . . . . . . . . . rr_2mce 1
. 5 . 1493 . 1 1 15 ASP O O 6.794 -6.001 0.158 . . . 1.0 . . . . . . . . . . . . A . 15 ASP O . . . . . . . . . rr_2mce 1
. 5 . 1494 . 1 1 15 ASP OD1 O 2.932 -3.724 2.334 . . . 1.0 . . . . . . . . . . . . A . 15 ASP OD1 . . . . . . . . . rr_2mce 1
. 5 . 1495 . 1 1 15 ASP OD2 O 1.925 -5.663 1.871 . . . 1.0 . . . . . . . . . . . . A . 15 ASP OD2 . . . . . . . . . rr_2mce 1
. 5 . 1496 . 1 1 16 SER C C 8.565 -4.801 -2.191 . . . 1.0 . . . . . . . . . . . . A . 16 SER C . . . . . . . . . rr_2mce 1
. 5 . 1497 . 1 1 16 SER CA C 7.128 -5.229 -2.492 . . . 1.0 . . . . . . . . . . . . A . 16 SER CA . . . . . . . . . rr_2mce 1
. 5 . 1498 . 1 1 16 SER CB C 6.753 -4.854 -3.927 . . . 1.0 . . . . . . . . . . . . A . 16 SER CB . . . . . . . . . rr_2mce 1
. 5 . 1499 . 1 1 16 SER H H 5.678 -3.857 -1.896 . . . 1.0 . . . . . . . . . . . . A . 16 SER H . . . . . . . . . rr_2mce 1
. 5 . 1500 . 1 1 16 SER HA H 7.012 -6.304 -2.355 . . . 1.0 . . . . . . . . . . . . A . 16 SER HA . . . . . . . . . rr_2mce 1
. 5 . 1501 . 1 1 16 SER HB2 H 5.688 -4.626 -3.976 . . . 1.0 . . . . . . . . . . . . A . 16 SER HB2 . . . . . . . . . rr_2mce 1
. 5 . 1502 . 1 1 16 SER HB3 H 7.287 -3.949 -4.217 . . . 1.0 . . . . . . . . . . . . A . 16 SER HB3 . . . . . . . . . rr_2mce 1
. 5 . 1503 . 1 1 16 SER HG H 6.282 -6.044 -5.466 . . . 1.0 . . . . . . . . . . . . A . 16 SER HG . . . . . . . . . rr_2mce 1
. 5 . 1504 . 1 1 16 SER N N 6.218 -4.619 -1.537 . . . 1.0 . . . . . . . . . . . . A . 16 SER N . . . . . . . . . rr_2mce 1
. 5 . 1505 . 1 1 16 SER O O 9.513 -5.479 -2.584 . . . 1.0 . . . . . . . . . . . . A . 16 SER O . . . . . . . . . rr_2mce 1
. 5 . 1506 . 1 1 16 SER OG O 7.055 -5.899 -4.847 . . . 1.0 . . . . . . . . . . . . A . 16 SER OG . . . . . . . . . rr_2mce 1
. 5 . 1507 . 1 1 17 PHE C C 10.611 -3.962 0.001 . . . 1.0 . . . . . . . . . . . . A . 17 PHE C . . . . . . . . . rr_2mce 1
. 5 . 1508 . 1 1 17 PHE CA C 9.989 -3.152 -1.138 . . . 1.0 . . . . . . . . . . . . A . 17 PHE CA . . . . . . . . . rr_2mce 1
. 5 . 1509 . 1 1 17 PHE CB C 9.777 -1.712 -0.668 . . . 1.0 . . . . . . . . . . . . A . 17 PHE CB . . . . . . . . . rr_2mce 1
. 5 . 1510 . 1 1 17 PHE CD1 C 9.345 -0.712 -2.923 . . . 1.0 . . . . . . . . . . . . A . 17 PHE CD1 . . . . . . . . . rr_2mce 1
. 5 . 1511 . 1 1 17 PHE CD2 C 10.945 0.324 -1.540 . . . 1.0 . . . . . . . . . . . . A . 17 PHE CD2 . . . . . . . . . rr_2mce 1
. 5 . 1512 . 1 1 17 PHE CE1 C 9.581 0.263 -3.928 . . . 1.0 . . . . . . . . . . . . A . 17 PHE CE1 . . . . . . . . . rr_2mce 1
. 5 . 1513 . 1 1 17 PHE CE2 C 11.181 1.301 -2.545 . . . 1.0 . . . . . . . . . . . . A . 17 PHE CE2 . . . . . . . . . rr_2mce 1
. 5 . 1514 . 1 1 17 PHE CG C 10.032 -0.661 -1.751 . . . 1.0 . . . . . . . . . . . . A . 17 PHE CG . . . . . . . . . rr_2mce 1
. 5 . 1515 . 1 1 17 PHE CZ C 10.495 1.249 -3.718 . . . 1.0 . . . . . . . . . . . . A . 17 PHE CZ . . . . . . . . . rr_2mce 1
. 5 . 1516 . 1 1 17 PHE H H 7.906 -3.133 -1.180 . . . 1.0 . . . . . . . . . . . . A . 17 PHE H . . . . . . . . . rr_2mce 1
. 5 . 1517 . 1 1 17 PHE HA H 10.621 -3.227 -2.023 . . . 1.0 . . . . . . . . . . . . A . 17 PHE HA . . . . . . . . . rr_2mce 1
. 5 . 1518 . 1 1 17 PHE HB2 H 8.755 -1.605 -0.306 . . . 1.0 . . . . . . . . . . . . A . 17 PHE HB2 . . . . . . . . . rr_2mce 1
. 5 . 1519 . 1 1 17 PHE HB3 H 10.437 -1.516 0.177 . . . 1.0 . . . . . . . . . . . . A . 17 PHE HB3 . . . . . . . . . rr_2mce 1
. 5 . 1520 . 1 1 17 PHE HD1 H 8.613 -1.501 -3.092 . . . 1.0 . . . . . . . . . . . . A . 17 PHE HD1 . . . . . . . . . rr_2mce 1
. 5 . 1521 . 1 1 17 PHE HD2 H 11.495 0.366 -0.600 . . . 1.0 . . . . . . . . . . . . A . 17 PHE HD2 . . . . . . . . . rr_2mce 1
. 5 . 1522 . 1 1 17 PHE HE1 H 9.031 0.223 -4.868 . . . 1.0 . . . . . . . . . . . . A . 17 PHE HE1 . . . . . . . . . rr_2mce 1
. 5 . 1523 . 1 1 17 PHE HE2 H 11.913 2.090 -2.376 . . . 1.0 . . . . . . . . . . . . A . 17 PHE HE2 . . . . . . . . . rr_2mce 1
. 5 . 1524 . 1 1 17 PHE HZ H 10.676 1.998 -4.488 . . . 1.0 . . . . . . . . . . . . A . 17 PHE HZ . . . . . . . . . rr_2mce 1
. 5 . 1525 . 1 1 17 PHE N N 8.682 -3.678 -1.496 . . . 1.0 . . . . . . . . . . . . A . 17 PHE N . . . . . . . . . rr_2mce 1
. 5 . 1526 . 1 1 17 PHE O O 11.830 -3.965 0.171 . . . 1.0 . . . . . . . . . . . . A . 17 PHE O . . . . . . . . . rr_2mce 1
. 5 . 1527 . 1 1 18 VAL C C 10.983 -6.640 1.342 . . . 1.0 . . . . . . . . . . . . A . 18 VAL C . . . . . . . . . rr_2mce 1
. 5 . 1528 . 1 1 18 VAL CA C 10.197 -5.438 1.872 . . . 1.0 . . . . . . . . . . . . A . 18 VAL CA . . . . . . . . . rr_2mce 1
. 5 . 1529 . 1 1 18 VAL CB C 9.004 -5.840 2.741 . . . 1.0 . . . . . . . . . . . . A . 18 VAL CB . . . . . . . . . rr_2mce 1
. 5 . 1530 . 1 1 18 VAL CG1 C 9.466 -6.574 4.001 . . . 1.0 . . . . . . . . . . . . A . 18 VAL CG1 . . . . . . . . . rr_2mce 1
. 5 . 1531 . 1 1 18 VAL CG2 C 8.151 -4.621 3.098 . . . 1.0 . . . . . . . . . . . . A . 18 VAL CG2 . . . . . . . . . rr_2mce 1
. 5 . 1532 . 1 1 18 VAL H H 8.758 -4.619 0.609 . . . 1.0 . . . . . . . . . . . . A . 18 VAL H . . . . . . . . . rr_2mce 1
. 5 . 1533 . 1 1 18 VAL HA H 10.863 -4.823 2.476 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HA . . . . . . . . . rr_2mce 1
. 5 . 1534 . 1 1 18 VAL HB H 8.384 -6.525 2.163 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HB . . . . . . . . . rr_2mce 1
. 5 . 1535 . 1 1 18 VAL HG11 H 8.919 -6.195 4.864 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HG11 . . . . . . . . . rr_2mce 1
. 5 . 1536 . 1 1 18 VAL HG12 H 9.275 -7.641 3.891 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HG12 . . . . . . . . . rr_2mce 1
. 5 . 1537 . 1 1 18 VAL HG13 H 10.534 -6.410 4.147 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HG13 . . . . . . . . . rr_2mce 1
. 5 . 1538 . 1 1 18 VAL HG21 H 8.356 -3.816 2.393 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HG21 . . . . . . . . . rr_2mce 1
. 5 . 1539 . 1 1 18 VAL HG22 H 7.096 -4.888 3.048 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HG22 . . . . . . . . . rr_2mce 1
. 5 . 1540 . 1 1 18 VAL HG23 H 8.395 -4.291 4.108 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HG23 . . . . . . . . . rr_2mce 1
. 5 . 1541 . 1 1 18 VAL N N 9.747 -4.627 0.753 . . . 1.0 . . . . . . . . . . . . A . 18 VAL N . . . . . . . . . rr_2mce 1
. 5 . 1542 . 1 1 18 VAL O O 11.897 -7.129 2.002 . . . 1.0 . . . . . . . . . . . . A . 18 VAL O . . . . . . . . . rr_2mce 1
. 5 . 1543 . 1 1 19 GLY C C 12.509 -7.776 -1.226 . . . 1.0 . . . . . . . . . . . . A . 19 GLY C . . . . . . . . . rr_2mce 1
. 5 . 1544 . 1 1 19 GLY CA C 11.251 -8.216 -0.473 . . . 1.0 . . . . . . . . . . . . A . 19 GLY CA . . . . . . . . . rr_2mce 1
. 5 . 1545 . 1 1 19 GLY H H 9.851 -6.678 -0.377 . . . 1.0 . . . . . . . . . . . . A . 19 GLY H . . . . . . . . . rr_2mce 1
. 5 . 1546 . 1 1 19 GLY HA2 H 11.516 -8.952 0.287 . . . 1.0 . . . . . . . . . . . . A . 19 GLY HA2 . . . . . . . . . rr_2mce 1
. 5 . 1547 . 1 1 19 GLY HA3 H 10.562 -8.704 -1.163 . . . 1.0 . . . . . . . . . . . . A . 19 GLY HA3 . . . . . . . . . rr_2mce 1
. 5 . 1548 . 1 1 19 GLY N N 10.596 -7.081 0.154 . . . 1.0 . . . . . . . . . . . . A . 19 GLY N . . . . . . . . . rr_2mce 1
. 5 . 1549 . 1 1 19 GLY O O 13.211 -8.604 -1.804 . . . 1.0 . . . . . . . . . . . . A . 19 GLY O . . . . . . . . . rr_2mce 1
. 5 . 1550 . 1 1 20 LEU C C 15.098 -5.894 -0.900 . . . 1.0 . . . . . . . . . . . . A . 20 LEU C . . . . . . . . . rr_2mce 1
. 5 . 1551 . 1 1 20 LEU CA C 13.913 -5.915 -1.868 . . . 1.0 . . . . . . . . . . . . A . 20 LEU CA . . . . . . . . . rr_2mce 1
. 5 . 1552 . 1 1 20 LEU CB C 13.579 -4.544 -2.460 . . . 1.0 . . . . . . . . . . . . A . 20 LEU CB . . . . . . . . . rr_2mce 1
. 5 . 1553 . 1 1 20 LEU CD1 C 15.266 -4.572 -4.335 . . . 1.0 . . . . . . . . . . . . A . 20 LEU CD1 . . . . . . . . . rr_2mce 1
. 5 . 1554 . 1 1 20 LEU CD2 C 12.888 -5.356 -4.745 . . . 1.0 . . . . . . . . . . . . A . 20 LEU CD2 . . . . . . . . . rr_2mce 1
. 5 . 1555 . 1 1 20 LEU CG C 13.790 -4.396 -3.968 . . . 1.0 . . . . . . . . . . . . A . 20 LEU CG . . . . . . . . . rr_2mce 1
. 5 . 1556 . 1 1 20 LEU H H 12.175 -5.808 -0.723 . . . 1.0 . . . . . . . . . . . . A . 20 LEU H . . . . . . . . . rr_2mce 1
. 5 . 1557 . 1 1 20 LEU HA H 14.158 -6.574 -2.700 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HA . . . . . . . . . rr_2mce 1
. 5 . 1558 . 1 1 20 LEU HB2 H 12.536 -4.317 -2.235 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HB2 . . . . . . . . . rr_2mce 1
. 5 . 1559 . 1 1 20 LEU HB3 H 14.185 -3.794 -1.952 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HB3 . . . . . . . . . rr_2mce 1
. 5 . 1560 . 1 1 20 LEU HD11 H 15.806 -3.652 -4.116 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HD11 . . . . . . . . . rr_2mce 1
. 5 . 1561 . 1 1 20 LEU HD12 H 15.690 -5.390 -3.752 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HD12 . . . . . . . . . rr_2mce 1
. 5 . 1562 . 1 1 20 LEU HD13 H 15.350 -4.800 -5.397 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HD13 . . . . . . . . . rr_2mce 1
. 5 . 1563 . 1 1 20 LEU HD21 H 13.398 -5.681 -5.652 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HD21 . . . . . . . . . rr_2mce 1
. 5 . 1564 . 1 1 20 LEU HD22 H 12.661 -6.223 -4.125 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HD22 . . . . . . . . . rr_2mce 1
. 5 . 1565 . 1 1 20 LEU HD23 H 11.961 -4.848 -5.011 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HD23 . . . . . . . . . rr_2mce 1
. 5 . 1566 . 1 1 20 LEU HG H 13.506 -3.383 -4.255 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HG . . . . . . . . . rr_2mce 1
. 5 . 1567 . 1 1 20 LEU N N 12.753 -6.475 -1.195 . . . 1.0 . . . . . . . . . . . . A . 20 LEU N . . . . . . . . . rr_2mce 1
. 5 . 1568 . 1 1 20 LEU O O 16.252 -5.879 -1.325 . . . 1.0 . . . . . . . . . . . . A . 20 LEU O . . . . . . . . . rr_2mce 1
. 5 . 1569 . 1 1 21 MET C C 16.529 -7.216 1.484 . . . 1.0 . . . . . . . . . . . . A . 21 MET C . . . . . . . . . rr_2mce 1
. 5 . 1570 . 1 1 21 MET CA C 15.794 -5.876 1.417 . . . 1.0 . . . . . . . . . . . . A . 21 MET CA . . . . . . . . . rr_2mce 1
. 5 . 1571 . 1 1 21 MET CB C 15.148 -5.579 2.771 . . . 1.0 . . . . . . . . . . . . A . 21 MET CB . . . . . . . . . rr_2mce 1
. 5 . 1572 . 1 1 21 MET CE C 13.360 -3.347 4.690 . . . 1.0 . . . . . . . . . . . . A . 21 MET CE . . . . . . . . . rr_2mce 1
. 5 . 1573 . 1 1 21 MET CG C 15.543 -4.189 3.275 . . . 1.0 . . . . . . . . . . . . A . 21 MET CG . . . . . . . . . rr_2mce 1
. 5 . 1574 . 1 1 21 MET H H 13.830 -5.906 0.723 . . . 1.0 . . . . . . . . . . . . A . 21 MET H . . . . . . . . . rr_2mce 1
. 5 . 1575 . 1 1 21 MET HA H 16.488 -5.087 1.127 . . . 1.0 . . . . . . . . . . . . A . 21 MET HA . . . . . . . . . rr_2mce 1
. 5 . 1576 . 1 1 21 MET HB2 H 14.063 -5.642 2.682 . . . 1.0 . . . . . . . . . . . . A . 21 MET HB2 . . . . . . . . . rr_2mce 1
. 5 . 1577 . 1 1 21 MET HB3 H 15.452 -6.333 3.496 . . . 1.0 . . . . . . . . . . . . A . 21 MET HB3 . . . . . . . . . rr_2mce 1
. 5 . 1578 . 1 1 21 MET HE1 H 12.454 -2.743 4.746 . . . 1.0 . . . . . . . . . . . . A . 21 MET HE1 . . . . . . . . . rr_2mce 1
. 5 . 1579 . 1 1 21 MET HE2 H 13.100 -4.401 4.783 . . . 1.0 . . . . . . . . . . . . A . 21 MET HE2 . . . . . . . . . rr_2mce 1
. 5 . 1580 . 1 1 21 MET HE3 H 14.034 -3.066 5.498 . . . 1.0 . . . . . . . . . . . . A . 21 MET HE3 . . . . . . . . . rr_2mce 1
. 5 . 1581 . 1 1 21 MET HG2 H 15.860 -4.248 4.317 . . . 1.0 . . . . . . . . . . . . A . 21 MET HG2 . . . . . . . . . rr_2mce 1
. 5 . 1582 . 1 1 21 MET HG3 H 16.393 -3.814 2.704 . . . 1.0 . . . . . . . . . . . . A . 21 MET HG3 . . . . . . . . . rr_2mce 1
. 5 . 1583 . 1 1 21 MET N N 14.772 -5.894 0.385 . . . 1.0 . . . . . . . . . . . . A . 21 MET N . . . . . . . . . rr_2mce 1
. 5 . 1584 . 1 1 21 MET O O 17.194 -7.612 0.528 . . . 1.0 . . . . . . . . . . . . A . 21 MET O . . . . . . . . . rr_2mce 1
. 5 . 1585 . 1 1 21 MET SD S 14.163 -3.068 3.121 . . . 1.0 . . . . . . . . . . . . A . 21 MET SD . . . . . . . . . rr_2mce 1
. 6 . 1586 . 1 1 1 ASP C C -14.099 8.870 1.775 . . . 1.0 . . . . . . . . . . . . A . 1 ASP C . . . . . . . . . rr_2mce 1
. 6 . 1587 . 1 1 1 ASP CA C -14.128 10.224 1.062 . . . 1.0 . . . . . . . . . . . . A . 1 ASP CA . . . . . . . . . rr_2mce 1
. 6 . 1588 . 1 1 1 ASP CB C -13.362 10.080 -0.255 . . . 1.0 . . . . . . . . . . . . A . 1 ASP CB . . . . . . . . . rr_2mce 1
. 6 . 1589 . 1 1 1 ASP CG C -13.230 11.369 -1.070 . . . 1.0 . . . . . . . . . . . . A . 1 ASP CG . . . . . . . . . rr_2mce 1
. 6 . 1590 . 1 1 1 ASP H1 H -14.152 11.703 2.528 . . . 1.0 . . . . . . . . . . . . A . 1 ASP H1 . . . . . . . . . rr_2mce 1
. 6 . 1591 . 1 1 1 ASP HA H -15.143 10.577 0.881 . . . 1.0 . . . . . . . . . . . . A . 1 ASP HA . . . . . . . . . rr_2mce 1
. 6 . 1592 . 1 1 1 ASP HB2 H -12.362 9.703 -0.037 . . . 1.0 . . . . . . . . . . . . A . 1 ASP HB2 . . . . . . . . . rr_2mce 1
. 6 . 1593 . 1 1 1 ASP HB3 H -13.859 9.329 -0.868 . . . 1.0 . . . . . . . . . . . . A . 1 ASP HB3 . . . . . . . . . rr_2mce 1
. 6 . 1594 . 1 1 1 ASP HD2 H -11.768 11.982 -0.052 . . . 1.0 . . . . . . . . . . . . A . 1 ASP HD2 . . . . . . . . . rr_2mce 1
. 6 . 1595 . 1 1 1 ASP N N -13.519 11.229 1.915 . . . 1.0 . . . . . . . . . . . . A . 1 ASP N . . . . . . . . . rr_2mce 1
. 6 . 1596 . 1 1 1 ASP O O -13.102 8.517 2.404 . . . 1.0 . . . . . . . . . . . . A . 1 ASP O . . . . . . . . . rr_2mce 1
. 6 . 1597 . 1 1 1 ASP OD1 O -14.182 11.804 -1.734 . . . 1.0 . . . . . . . . . . . . A . 1 ASP OD1 . . . . . . . . . rr_2mce 1
. 6 . 1598 . 1 1 1 ASP OD2 O -12.075 11.940 -1.003 . . . 1.0 . . . . . . . . . . . . A . 1 ASP OD2 . . . . . . . . . rr_2mce 1
. 6 . 1599 . 1 1 2 ALA C C -14.398 5.855 1.558 . . . 1.0 . . . . . . . . . . . . A . 2 ALA C . . . . . . . . . rr_2mce 1
. 6 . 1600 . 1 1 2 ALA CA C -15.316 6.843 2.279 . . . 1.0 . . . . . . . . . . . . A . 2 ALA CA . . . . . . . . . rr_2mce 1
. 6 . 1601 . 1 1 2 ALA CB C -16.779 6.394 2.264 . . . 1.0 . . . . . . . . . . . . A . 2 ALA CB . . . . . . . . . rr_2mce 1
. 6 . 1602 . 1 1 2 ALA H H -16.009 8.443 1.140 . . . 1.0 . . . . . . . . . . . . A . 2 ALA H . . . . . . . . . rr_2mce 1
. 6 . 1603 . 1 1 2 ALA HA H -14.990 6.941 3.314 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HA . . . . . . . . . rr_2mce 1
. 6 . 1604 . 1 1 2 ALA HB1 H -17.424 7.247 2.479 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HB1 . . . . . . . . . rr_2mce 1
. 6 . 1605 . 1 1 2 ALA HB2 H -17.027 5.991 1.281 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HB2 . . . . . . . . . rr_2mce 1
. 6 . 1606 . 1 1 2 ALA HB3 H -16.931 5.624 3.020 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HB3 . . . . . . . . . rr_2mce 1
. 6 . 1607 . 1 1 2 ALA N N -15.203 8.149 1.653 . . . 1.0 . . . . . . . . . . . . A . 2 ALA N . . . . . . . . . rr_2mce 1
. 6 . 1608 . 1 1 2 ALA O O -13.814 4.972 2.184 . . . 1.0 . . . . . . . . . . . . A . 2 ALA O . . . . . . . . . rr_2mce 1
. 6 . 1609 . 1 1 3 GLY C C -11.976 5.475 -0.336 . . . 1.0 . . . . . . . . . . . . A . 3 GLY C . . . . . . . . . rr_2mce 1
. 6 . 1610 . 1 1 3 GLY CA C -13.457 5.173 -0.565 . . . 1.0 . . . . . . . . . . . . A . 3 GLY CA . . . . . . . . . rr_2mce 1
. 6 . 1611 . 1 1 3 GLY H H -14.775 6.757 -0.254 . . . 1.0 . . . . . . . . . . . . A . 3 GLY H . . . . . . . . . rr_2mce 1
. 6 . 1612 . 1 1 3 GLY HA2 H -13.661 4.130 -0.323 . . . 1.0 . . . . . . . . . . . . A . 3 GLY HA2 . . . . . . . . . rr_2mce 1
. 6 . 1613 . 1 1 3 GLY HA3 H -13.702 5.311 -1.618 . . . 1.0 . . . . . . . . . . . . A . 3 GLY HA3 . . . . . . . . . rr_2mce 1
. 6 . 1614 . 1 1 3 GLY N N -14.297 6.036 0.249 . . . 1.0 . . . . . . . . . . . . A . 3 GLY N . . . . . . . . . rr_2mce 1
. 6 . 1615 . 1 1 3 GLY O O -11.109 4.833 -0.929 . . . 1.0 . . . . . . . . . . . . A . 3 GLY O . . . . . . . . . rr_2mce 1
. 6 . 1616 . 1 1 4 HIS C C -9.648 5.694 1.544 . . . 1.0 . . . . . . . . . . . . A . 4 HIS C . . . . . . . . . rr_2mce 1
. 6 . 1617 . 1 1 4 HIS CA C -10.366 6.846 0.839 . . . 1.0 . . . . . . . . . . . . A . 4 HIS CA . . . . . . . . . rr_2mce 1
. 6 . 1618 . 1 1 4 HIS CB C -10.350 8.141 1.652 . . . 1.0 . . . . . . . . . . . . A . 4 HIS CB . . . . . . . . . rr_2mce 1
. 6 . 1619 . 1 1 4 HIS CD2 C -8.454 9.887 1.214 . . . 1.0 . . . . . . . . . . . . A . 4 HIS CD2 . . . . . . . . . rr_2mce 1
. 6 . 1620 . 1 1 4 HIS CE1 C -6.913 8.999 2.489 . . . 1.0 . . . . . . . . . . . . A . 4 HIS CE1 . . . . . . . . . rr_2mce 1
. 6 . 1621 . 1 1 4 HIS CG C -8.982 8.766 1.785 . . . 1.0 . . . . . . . . . . . . A . 4 HIS CG . . . . . . . . . rr_2mce 1
. 6 . 1622 . 1 1 4 HIS H H -12.439 6.969 1.003 . . . 1.0 . . . . . . . . . . . . A . 4 HIS H . . . . . . . . . rr_2mce 1
. 6 . 1623 . 1 1 4 HIS HA H -9.871 7.044 -0.112 . . . 1.0 . . . . . . . . . . . . A . 4 HIS HA . . . . . . . . . rr_2mce 1
. 6 . 1624 . 1 1 4 HIS HB2 H -11.023 8.861 1.186 . . . 1.0 . . . . . . . . . . . . A . 4 HIS HB2 . . . . . . . . . rr_2mce 1
. 6 . 1625 . 1 1 4 HIS HB3 H -10.744 7.938 2.648 . . . 1.0 . . . . . . . . . . . . A . 4 HIS HB3 . . . . . . . . . rr_2mce 1
. 6 . 1626 . 1 1 4 HIS HD1 H -8.064 7.399 3.137 . . . 1.0 . . . . . . . . . . . . A . 4 HIS HD1 . . . . . . . . . rr_2mce 1
. 6 . 1627 . 1 1 4 HIS HD2 H -8.970 10.553 0.524 . . . 1.0 . . . . . . . . . . . . A . 4 HIS HD2 . . . . . . . . . rr_2mce 1
. 6 . 1628 . 1 1 4 HIS HE1 H -5.963 8.841 3.000 . . . 1.0 . . . . . . . . . . . . A . 4 HIS HE1 . . . . . . . . . rr_2mce 1
. 6 . 1629 . 1 1 4 HIS N N -11.729 6.452 0.525 . . . 1.0 . . . . . . . . . . . . A . 4 HIS N . . . . . . . . . rr_2mce 1
. 6 . 1630 . 1 1 4 HIS ND1 N -7.986 8.228 2.583 . . . 1.0 . . . . . . . . . . . . A . 4 HIS ND1 . . . . . . . . . rr_2mce 1
. 6 . 1631 . 1 1 4 HIS NE2 N -7.205 10.027 1.640 . . . 1.0 . . . . . . . . . . . . A . 4 HIS NE2 . . . . . . . . . rr_2mce 1
. 6 . 1632 . 1 1 4 HIS O O -8.419 5.645 1.566 . . . 1.0 . . . . . . . . . . . . A . 4 HIS O . . . . . . . . . rr_2mce 1
. 6 . 1633 . 1 1 5 GLY C C -9.153 2.719 1.847 . . . 1.0 . . . . . . . . . . . . A . 5 GLY C . . . . . . . . . rr_2mce 1
. 6 . 1634 . 1 1 5 GLY CA C -9.902 3.647 2.806 . . . 1.0 . . . . . . . . . . . . A . 5 GLY CA . . . . . . . . . rr_2mce 1
. 6 . 1635 . 1 1 5 GLY H H -11.444 4.843 2.080 . . . 1.0 . . . . . . . . . . . . A . 5 GLY H . . . . . . . . . rr_2mce 1
. 6 . 1636 . 1 1 5 GLY HA2 H -9.226 3.984 3.592 . . . 1.0 . . . . . . . . . . . . A . 5 GLY HA2 . . . . . . . . . rr_2mce 1
. 6 . 1637 . 1 1 5 GLY HA3 H -10.708 3.099 3.293 . . . 1.0 . . . . . . . . . . . . A . 5 GLY HA3 . . . . . . . . . rr_2mce 1
. 6 . 1638 . 1 1 5 GLY N N -10.446 4.795 2.103 . . . 1.0 . . . . . . . . . . . . A . 5 GLY N . . . . . . . . . rr_2mce 1
. 6 . 1639 . 1 1 5 GLY O O -8.385 1.862 2.278 . . . 1.0 . . . . . . . . . . . . A . 5 GLY O . . . . . . . . . rr_2mce 1
. 6 . 1640 . 1 1 6 GLN C C -7.303 2.533 -0.633 . . . 1.0 . . . . . . . . . . . . A . 6 GLN C . . . . . . . . . rr_2mce 1
. 6 . 1641 . 1 1 6 GLN CA C -8.766 2.115 -0.464 . . . 1.0 . . . . . . . . . . . . A . 6 GLN CA . . . . . . . . . rr_2mce 1
. 6 . 1642 . 1 1 6 GLN CB C -9.521 2.214 -1.790 . . . 1.0 . . . . . . . . . . . . A . 6 GLN CB . . . . . . . . . rr_2mce 1
. 6 . 1643 . 1 1 6 GLN CD C -11.680 1.657 -2.970 . . . 1.0 . . . . . . . . . . . . A . 6 GLN CD . . . . . . . . . rr_2mce 1
. 6 . 1644 . 1 1 6 GLN CG C -10.786 1.352 -1.767 . . . 1.0 . . . . . . . . . . . . A . 6 GLN CG . . . . . . . . . rr_2mce 1
. 6 . 1645 . 1 1 6 GLN H H -10.032 3.622 0.218 . . . 1.0 . . . . . . . . . . . . A . 6 GLN H . . . . . . . . . rr_2mce 1
. 6 . 1646 . 1 1 6 GLN HA H -8.818 1.089 -0.098 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HA . . . . . . . . . rr_2mce 1
. 6 . 1647 . 1 1 6 GLN HB2 H -9.789 3.252 -1.984 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HB2 . . . . . . . . . rr_2mce 1
. 6 . 1648 . 1 1 6 GLN HB3 H -8.874 1.893 -2.606 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HB3 . . . . . . . . . rr_2mce 1
. 6 . 1649 . 1 1 6 GLN HE21 H -12.387 3.272 -1.977 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HE21 . . . . . . . . . rr_2mce 1
. 6 . 1650 . 1 1 6 GLN HE22 H -13.055 3.022 -3.555 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HE22 . . . . . . . . . rr_2mce 1
. 6 . 1651 . 1 1 6 GLN HG2 H -10.511 0.297 -1.771 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HG2 . . . . . . . . . rr_2mce 1
. 6 . 1652 . 1 1 6 GLN HG3 H -11.337 1.534 -0.844 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HG3 . . . . . . . . . rr_2mce 1
. 6 . 1653 . 1 1 6 GLN N N -9.405 2.922 0.561 . . . 1.0 . . . . . . . . . . . . A . 6 GLN N . . . . . . . . . rr_2mce 1
. 6 . 1654 . 1 1 6 GLN NE2 N -12.436 2.740 -2.821 . . . 1.0 . . . . . . . . . . . . A . 6 GLN NE2 . . . . . . . . . rr_2mce 1
. 6 . 1655 . 1 1 6 GLN O O -6.523 1.830 -1.272 . . . 1.0 . . . . . . . . . . . . A . 6 GLN O . . . . . . . . . rr_2mce 1
. 6 . 1656 . 1 1 6 GLN OE1 O -11.681 0.955 -3.968 . . . 1.0 . . . . . . . . . . . . A . 6 GLN OE1 . . . . . . . . . rr_2mce 1
. 6 . 1657 . 1 1 7 ILE C C -4.693 3.316 0.712 . . . 1.0 . . . . . . . . . . . . A . 7 ILE C . . . . . . . . . rr_2mce 1
. 6 . 1658 . 1 1 7 ILE CA C -5.622 4.196 -0.127 . . . 1.0 . . . . . . . . . . . . A . 7 ILE CA . . . . . . . . . rr_2mce 1
. 6 . 1659 . 1 1 7 ILE CB C -5.592 5.674 0.269 . . . 1.0 . . . . . . . . . . . . A . 7 ILE CB . . . . . . . . . rr_2mce 1
. 6 . 1660 . 1 1 7 ILE CD1 C -4.835 7.807 -0.842 . . . 1.0 . . . . . . . . . . . . A . 7 ILE CD1 . . . . . . . . . rr_2mce 1
. 6 . 1661 . 1 1 7 ILE CG1 C -4.426 6.399 -0.406 . . . 1.0 . . . . . . . . . . . . A . 7 ILE CG1 . . . . . . . . . rr_2mce 1
. 6 . 1662 . 1 1 7 ILE CG2 C -5.562 5.833 1.791 . . . 1.0 . . . . . . . . . . . . A . 7 ILE CG2 . . . . . . . . . rr_2mce 1
. 6 . 1663 . 1 1 7 ILE H H -7.618 4.243 0.469 . . . 1.0 . . . . . . . . . . . . A . 7 ILE H . . . . . . . . . rr_2mce 1
. 6 . 1664 . 1 1 7 ILE HA H -5.308 4.135 -1.169 . . . 1.0 . . . . . . . . . . . . A . 7 ILE HA . . . . . . . . . rr_2mce 1
. 6 . 1665 . 1 1 7 ILE HB H -6.511 6.142 -0.085 . . . 1.0 . . . . . . . . . . . . A . 7 ILE HB . . . . . . . . . rr_2mce 1
. 6 . 1666 . 1 1 7 ILE HD11 H -4.945 7.835 -1.927 . . . 1.0 . . . . . . . . . . . . A . 7 ILE HD11 . . . . . . . . . rr_2mce 1
. 6 . 1667 . 1 1 7 ILE HD12 H -5.783 8.072 -0.374 . . . 1.0 . . . . . . . . . . . . A . 7 ILE HD12 . . . . . . . . . rr_2mce 1
. 6 . 1668 . 1 1 7 ILE HD13 H -4.068 8.519 -0.536 . . . 1.0 . . . . . . . . . . . . A . 7 ILE HD13 . . . . . . . . . rr_2mce 1
. 6 . 1669 . 1 1 7 ILE HG12 H -3.583 6.458 0.281 . . . 1.0 . . . . . . . . . . . . A . 7 ILE HG12 . . . . . . . . . rr_2mce 1
. 6 . 1670 . 1 1 7 ILE HG13 H -4.093 5.829 -1.274 . . . 1.0 . . . . . . . . . . . . A . 7 ILE HG13 . . . . . . . . . rr_2mce 1
. 6 . 1671 . 1 1 7 ILE HG21 H -4.543 5.695 2.150 . . . 1.0 . . . . . . . . . . . . A . 7 ILE HG21 . . . . . . . . . rr_2mce 1
. 6 . 1672 . 1 1 7 ILE HG22 H -5.909 6.832 2.059 . . . 1.0 . . . . . . . . . . . . A . 7 ILE HG22 . . . . . . . . . rr_2mce 1
. 6 . 1673 . 1 1 7 ILE HG23 H -6.214 5.089 2.247 . . . 1.0 . . . . . . . . . . . . A . 7 ILE HG23 . . . . . . . . . rr_2mce 1
. 6 . 1674 . 1 1 7 ILE N N -6.977 3.677 -0.048 . . . 1.0 . . . . . . . . . . . . A . 7 ILE N . . . . . . . . . rr_2mce 1
. 6 . 1675 . 1 1 7 ILE O O -3.480 3.318 0.509 . . . 1.0 . . . . . . . . . . . . A . 7 ILE O . . . . . . . . . rr_2mce 1
. 6 . 1676 . 1 1 8 SER C C -3.921 0.568 1.688 . . . 1.0 . . . . . . . . . . . . A . 8 SER C . . . . . . . . . rr_2mce 1
. 6 . 1677 . 1 1 8 SER CA C -4.541 1.702 2.506 . . . 1.0 . . . . . . . . . . . . A . 8 SER CA . . . . . . . . . rr_2mce 1
. 6 . 1678 . 1 1 8 SER CB C -5.425 1.133 3.619 . . . 1.0 . . . . . . . . . . . . A . 8 SER CB . . . . . . . . . rr_2mce 1
. 6 . 1679 . 1 1 8 SER H H -6.286 2.590 1.795 . . . 1.0 . . . . . . . . . . . . A . 8 SER H . . . . . . . . . rr_2mce 1
. 6 . 1680 . 1 1 8 SER HA H -3.763 2.327 2.945 . . . 1.0 . . . . . . . . . . . . A . 8 SER HA . . . . . . . . . rr_2mce 1
. 6 . 1681 . 1 1 8 SER HB2 H -6.437 0.992 3.240 . . . 1.0 . . . . . . . . . . . . A . 8 SER HB2 . . . . . . . . . rr_2mce 1
. 6 . 1682 . 1 1 8 SER HB3 H -5.053 0.151 3.909 . . . 1.0 . . . . . . . . . . . . A . 8 SER HB3 . . . . . . . . . rr_2mce 1
. 6 . 1683 . 1 1 8 SER HG H -4.759 1.703 5.418 . . . 1.0 . . . . . . . . . . . . A . 8 SER HG . . . . . . . . . rr_2mce 1
. 6 . 1684 . 1 1 8 SER N N -5.299 2.585 1.636 . . . 1.0 . . . . . . . . . . . . A . 8 SER N . . . . . . . . . rr_2mce 1
. 6 . 1685 . 1 1 8 SER O O -2.994 -0.098 2.148 . . . 1.0 . . . . . . . . . . . . A . 8 SER O . . . . . . . . . rr_2mce 1
. 6 . 1686 . 1 1 8 SER OG O -5.459 1.984 4.760 . . . 1.0 . . . . . . . . . . . . A . 8 SER OG . . . . . . . . . rr_2mce 1
. 6 . 1687 . 1 1 9 HIS C C -2.613 -0.247 -0.973 . . . 1.0 . . . . . . . . . . . . A . 9 HIS C . . . . . . . . . rr_2mce 1
. 6 . 1688 . 1 1 9 HIS CA C -3.968 -0.660 -0.395 . . . 1.0 . . . . . . . . . . . . A . 9 HIS CA . . . . . . . . . rr_2mce 1
. 6 . 1689 . 1 1 9 HIS CB C -5.001 -0.983 -1.476 . . . 1.0 . . . . . . . . . . . . A . 9 HIS CB . . . . . . . . . rr_2mce 1
. 6 . 1690 . 1 1 9 HIS CD2 C -4.533 1.059 -3.039 . . . 1.0 . . . . . . . . . . . . A . 9 HIS CD2 . . . . . . . . . rr_2mce 1
. 6 . 1691 . 1 1 9 HIS CE1 C -4.545 -0.002 -4.951 . . . 1.0 . . . . . . . . . . . . A . 9 HIS CE1 . . . . . . . . . rr_2mce 1
. 6 . 1692 . 1 1 9 HIS CG C -4.771 -0.258 -2.781 . . . 1.0 . . . . . . . . . . . . A . 9 HIS CG . . . . . . . . . rr_2mce 1
. 6 . 1693 . 1 1 9 HIS H H -5.211 0.928 0.126 . . . 1.0 . . . . . . . . . . . . A . 9 HIS H . . . . . . . . . rr_2mce 1
. 6 . 1694 . 1 1 9 HIS HA H -3.835 -1.553 0.217 . . . 1.0 . . . . . . . . . . . . A . 9 HIS HA . . . . . . . . . rr_2mce 1
. 6 . 1695 . 1 1 9 HIS HB2 H -4.993 -2.057 -1.662 . . . 1.0 . . . . . . . . . . . . A . 9 HIS HB2 . . . . . . . . . rr_2mce 1
. 6 . 1696 . 1 1 9 HIS HB3 H -5.993 -0.731 -1.103 . . . 1.0 . . . . . . . . . . . . A . 9 HIS HB3 . . . . . . . . . rr_2mce 1
. 6 . 1697 . 1 1 9 HIS HD1 H -4.922 -1.880 -4.153 . . . 1.0 . . . . . . . . . . . . A . 9 HIS HD1 . . . . . . . . . rr_2mce 1
. 6 . 1698 . 1 1 9 HIS HD2 H -4.466 1.852 -2.294 . . . 1.0 . . . . . . . . . . . . A . 9 HIS HD2 . . . . . . . . . rr_2mce 1
. 6 . 1699 . 1 1 9 HIS HE1 H -4.486 -0.198 -6.022 . . . 1.0 . . . . . . . . . . . . A . 9 HIS HE1 . . . . . . . . . rr_2mce 1
. 6 . 1700 . 1 1 9 HIS N N -4.457 0.382 0.492 . . . 1.0 . . . . . . . . . . . . A . 9 HIS N . . . . . . . . . rr_2mce 1
. 6 . 1701 . 1 1 9 HIS ND1 N -4.773 -0.902 -4.007 . . . 1.0 . . . . . . . . . . . . A . 9 HIS ND1 . . . . . . . . . rr_2mce 1
. 6 . 1702 . 1 1 9 HIS NE2 N -4.395 1.212 -4.350 . . . 1.0 . . . . . . . . . . . . A . 9 HIS NE2 . . . . . . . . . rr_2mce 1
. 6 . 1703 . 1 1 9 HIS O O -1.858 -1.090 -1.457 . . . 1.0 . . . . . . . . . . . . A . 9 HIS O . . . . . . . . . rr_2mce 1
. 6 . 1704 . 1 1 10 LYS C C 0.052 1.146 -0.501 . . . 1.0 . . . . . . . . . . . . A . 10 LYS C . . . . . . . . . rr_2mce 1
. 6 . 1705 . 1 1 10 LYS CA C -1.094 1.582 -1.414 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CA . . . . . . . . . rr_2mce 1
. 6 . 1706 . 1 1 10 LYS CB C -1.193 3.099 -1.595 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CB . . . . . . . . . rr_2mce 1
. 6 . 1707 . 1 1 10 LYS CD C -0.824 3.899 -3.958 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CD . . . . . . . . . rr_2mce 1
. 6 . 1708 . 1 1 10 LYS CE C -0.123 5.060 -4.665 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CE . . . . . . . . . rr_2mce 1
. 6 . 1709 . 1 1 10 LYS CG C -0.164 3.598 -2.611 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CG . . . . . . . . . rr_2mce 1
. 6 . 1710 . 1 1 10 LYS H H -2.964 1.726 -0.508 . . . 1.0 . . . . . . . . . . . . A . 10 LYS H . . . . . . . . . rr_2mce 1
. 6 . 1711 . 1 1 10 LYS HA H -0.934 1.150 -2.402 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HA . . . . . . . . . rr_2mce 1
. 6 . 1712 . 1 1 10 LYS HB2 H -2.197 3.365 -1.928 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HB2 . . . . . . . . . rr_2mce 1
. 6 . 1713 . 1 1 10 LYS HB3 H -1.035 3.594 -0.638 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HB3 . . . . . . . . . rr_2mce 1
. 6 . 1714 . 1 1 10 LYS HD2 H -0.791 3.011 -4.590 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HD2 . . . . . . . . . rr_2mce 1
. 6 . 1715 . 1 1 10 LYS HD3 H -1.876 4.142 -3.806 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HD3 . . . . . . . . . rr_2mce 1
. 6 . 1716 . 1 1 10 LYS HE2 H -0.803 5.909 -4.745 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HE2 . . . . . . . . . rr_2mce 1
. 6 . 1717 . 1 1 10 LYS HE3 H 0.732 5.391 -4.074 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HE3 . . . . . . . . . rr_2mce 1
. 6 . 1718 . 1 1 10 LYS HG2 H 0.321 4.497 -2.230 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HG2 . . . . . . . . . rr_2mce 1
. 6 . 1719 . 1 1 10 LYS HG3 H 0.615 2.848 -2.743 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HG3 . . . . . . . . . rr_2mce 1
. 6 . 1720 . 1 1 10 LYS HZ1 H 0.466 3.648 -6.079 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HZ1 . . . . . . . . . rr_2mce 1
. 6 . 1721 . 1 1 10 LYS HZ3 H 1.207 5.085 -6.269 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HZ3 . . . . . . . . . rr_2mce 1
. 6 . 1722 . 1 1 10 LYS N N -2.345 1.048 -0.904 . . . 1.0 . . . . . . . . . . . . A . 10 LYS N . . . . . . . . . rr_2mce 1
. 6 . 1723 . 1 1 10 LYS NZ N 0.328 4.650 -6.013 . . . 1.0 . . . . . . . . . . . . A . 10 LYS NZ . . . . . . . . . rr_2mce 1
. 6 . 1724 . 1 1 10 LYS O O 1.206 1.103 -0.925 . . . 1.0 . . . . . . . . . . . . A . 10 LYS O . . . . . . . . . rr_2mce 1
. 6 . 1725 . 1 1 11 ARG C C 1.277 -0.948 1.305 . . . 1.0 . . . . . . . . . . . . A . 11 ARG C . . . . . . . . . rr_2mce 1
. 6 . 1726 . 1 1 11 ARG CA C 0.680 0.401 1.712 . . . 1.0 . . . . . . . . . . . . A . 11 ARG CA . . . . . . . . . rr_2mce 1
. 6 . 1727 . 1 1 11 ARG CB C 0.058 0.277 3.105 . . . 1.0 . . . . . . . . . . . . A . 11 ARG CB . . . . . . . . . rr_2mce 1
. 6 . 1728 . 1 1 11 ARG CD C -1.326 1.904 4.445 . . . 1.0 . . . . . . . . . . . . A . 11 ARG CD . . . . . . . . . rr_2mce 1
. 6 . 1729 . 1 1 11 ARG CG C 0.044 1.627 3.824 . . . 1.0 . . . . . . . . . . . . A . 11 ARG CG . . . . . . . . . rr_2mce 1
. 6 . 1730 . 1 1 11 ARG CZ C -1.509 0.460 6.477 . . . 1.0 . . . . . . . . . . . . A . 11 ARG CZ . . . . . . . . . rr_2mce 1
. 6 . 1731 . 1 1 11 ARG H H -1.246 0.871 1.072 . . . 1.0 . . . . . . . . . . . . A . 11 ARG H . . . . . . . . . rr_2mce 1
. 6 . 1732 . 1 1 11 ARG HA H 1.440 1.183 1.708 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HA . . . . . . . . . rr_2mce 1
. 6 . 1733 . 1 1 11 ARG HB2 H -0.961 -0.104 3.019 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HB2 . . . . . . . . . rr_2mce 1
. 6 . 1734 . 1 1 11 ARG HB3 H 0.619 -0.448 3.695 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HB3 . . . . . . . . . rr_2mce 1
. 6 . 1735 . 1 1 11 ARG HD2 H -1.620 2.936 4.250 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HD2 . . . . . . . . . rr_2mce 1
. 6 . 1736 . 1 1 11 ARG HD3 H -2.079 1.265 3.984 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HD3 . . . . . . . . . rr_2mce 1
. 6 . 1737 . 1 1 11 ARG HE H -1.063 2.431 6.501 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HE . . . . . . . . . rr_2mce 1
. 6 . 1738 . 1 1 11 ARG HG2 H 0.809 1.637 4.601 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HG2 . . . . . . . . . rr_2mce 1
. 6 . 1739 . 1 1 11 ARG HG3 H 0.296 2.420 3.119 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HG3 . . . . . . . . . rr_2mce 1
. 6 . 1740 . 1 1 11 ARG HH11 H -1.856 -0.529 4.724 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HH11 . . . . . . . . . rr_2mce 1
. 6 . 1741 . 1 1 11 ARG HH12 H -1.975 -1.503 6.152 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HH12 . . . . . . . . . rr_2mce 1
. 6 . 1742 . 1 1 11 ARG HH22 H -1.598 -0.496 8.294 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HH22 . . . . . . . . . rr_2mce 1
. 6 . 1743 . 1 1 11 ARG N N -0.305 0.832 0.736 . . . 1.0 . . . . . . . . . . . . A . 11 ARG N . . . . . . . . . rr_2mce 1
. 6 . 1744 . 1 1 11 ARG NE N -1.279 1.660 5.903 . . . 1.0 . . . . . . . . . . . . A . 11 ARG NE . . . . . . . . . rr_2mce 1
. 6 . 1745 . 1 1 11 ARG NH1 N -1.806 -0.617 5.718 . . . 1.0 . . . . . . . . . . . . A . 11 ARG NH1 . . . . . . . . . rr_2mce 1
. 6 . 1746 . 1 1 11 ARG NH2 N -1.441 0.354 7.791 . . . 1.0 . . . . . . . . . . . . A . 11 ARG NH2 . . . . . . . . . rr_2mce 1
. 6 . 1747 . 1 1 11 ARG O O 2.358 -1.315 1.761 . . . 1.0 . . . . . . . . . . . . A . 11 ARG O . . . . . . . . . rr_2mce 1
. 6 . 1748 . 1 1 12 HIS C C 2.198 -2.774 -0.942 . . . 1.0 . . . . . . . . . . . . A . 12 HIS C . . . . . . . . . rr_2mce 1
. 6 . 1749 . 1 1 12 HIS CA C 0.988 -2.948 -0.023 . . . 1.0 . . . . . . . . . . . . A . 12 HIS CA . . . . . . . . . rr_2mce 1
. 6 . 1750 . 1 1 12 HIS CB C -0.163 -3.702 -0.694 . . . 1.0 . . . . . . . . . . . . A . 12 HIS CB . . . . . . . . . rr_2mce 1
. 6 . 1751 . 1 1 12 HIS CD2 C -1.704 -5.600 0.230 . . . 1.0 . . . . . . . . . . . . A . 12 HIS CD2 . . . . . . . . . rr_2mce 1
. 6 . 1752 . 1 1 12 HIS CE1 C -2.331 -4.619 2.082 . . . 1.0 . . . . . . . . . . . . A . 12 HIS CE1 . . . . . . . . . rr_2mce 1
. 6 . 1753 . 1 1 12 HIS CG C -1.103 -4.377 0.277 . . . 1.0 . . . . . . . . . . . . A . 12 HIS CG . . . . . . . . . rr_2mce 1
. 6 . 1754 . 1 1 12 HIS H H -0.334 -1.341 0.085 . . . 1.0 . . . . . . . . . . . . A . 12 HIS H . . . . . . . . . rr_2mce 1
. 6 . 1755 . 1 1 12 HIS HA H 1.289 -3.516 0.857 . . . 1.0 . . . . . . . . . . . . A . 12 HIS HA . . . . . . . . . rr_2mce 1
. 6 . 1756 . 1 1 12 HIS HB2 H -0.731 -3.005 -1.309 . . . 1.0 . . . . . . . . . . . . A . 12 HIS HB2 . . . . . . . . . rr_2mce 1
. 6 . 1757 . 1 1 12 HIS HB3 H 0.252 -4.455 -1.364 . . . 1.0 . . . . . . . . . . . . A . 12 HIS HB3 . . . . . . . . . rr_2mce 1
. 6 . 1758 . 1 1 12 HIS HD1 H -1.248 -2.876 1.779 . . . 1.0 . . . . . . . . . . . . A . 12 HIS HD1 . . . . . . . . . rr_2mce 1
. 6 . 1759 . 1 1 12 HIS HD2 H -1.596 -6.334 -0.569 . . . 1.0 . . . . . . . . . . . . A . 12 HIS HD2 . . . . . . . . . rr_2mce 1
. 6 . 1760 . 1 1 12 HIS HE1 H -2.822 -4.439 3.039 . . . 1.0 . . . . . . . . . . . . A . 12 HIS HE1 . . . . . . . . . rr_2mce 1
. 6 . 1761 . 1 1 12 HIS N N 0.544 -1.648 0.451 . . . 1.0 . . . . . . . . . . . . A . 12 HIS N . . . . . . . . . rr_2mce 1
. 6 . 1762 . 1 1 12 HIS ND1 N -1.517 -3.783 1.456 . . . 1.0 . . . . . . . . . . . . A . 12 HIS ND1 . . . . . . . . . rr_2mce 1
. 6 . 1763 . 1 1 12 HIS NE2 N -2.445 -5.745 1.322 . . . 1.0 . . . . . . . . . . . . A . 12 HIS NE2 . . . . . . . . . rr_2mce 1
. 6 . 1764 . 1 1 12 HIS O O 2.950 -3.720 -1.171 . . . 1.0 . . . . . . . . . . . . A . 12 HIS O . . . . . . . . . rr_2mce 1
. 6 . 1765 . 1 1 13 LYS C C 4.759 -1.228 -1.533 . . . 1.0 . . . . . . . . . . . . A . 13 LYS C . . . . . . . . . rr_2mce 1
. 6 . 1766 . 1 1 13 LYS CA C 3.456 -1.247 -2.334 . . . 1.0 . . . . . . . . . . . . A . 13 LYS CA . . . . . . . . . rr_2mce 1
. 6 . 1767 . 1 1 13 LYS CB C 3.182 0.051 -3.096 . . . 1.0 . . . . . . . . . . . . A . 13 LYS CB . . . . . . . . . rr_2mce 1
. 6 . 1768 . 1 1 13 LYS CD C 2.305 -0.966 -5.230 . . . 1.0 . . . . . . . . . . . . A . 13 LYS CD . . . . . . . . . rr_2mce 1
. 6 . 1769 . 1 1 13 LYS CE C 1.251 -2.056 -5.432 . . . 1.0 . . . . . . . . . . . . A . 13 LYS CE . . . . . . . . . rr_2mce 1
. 6 . 1770 . 1 1 13 LYS CG C 1.970 -0.097 -4.016 . . . 1.0 . . . . . . . . . . . . A . 13 LYS CG . . . . . . . . . rr_2mce 1
. 6 . 1771 . 1 1 13 LYS H H 1.732 -0.794 -1.255 . . . 1.0 . . . . . . . . . . . . A . 13 LYS H . . . . . . . . . rr_2mce 1
. 6 . 1772 . 1 1 13 LYS HA H 3.515 -2.047 -3.073 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HA . . . . . . . . . rr_2mce 1
. 6 . 1773 . 1 1 13 LYS HB2 H 3.010 0.863 -2.389 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HB2 . . . . . . . . . rr_2mce 1
. 6 . 1774 . 1 1 13 LYS HB3 H 4.059 0.323 -3.685 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HB3 . . . . . . . . . rr_2mce 1
. 6 . 1775 . 1 1 13 LYS HD2 H 2.365 -0.343 -6.123 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HD2 . . . . . . . . . rr_2mce 1
. 6 . 1776 . 1 1 13 LYS HD3 H 3.285 -1.423 -5.095 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HD3 . . . . . . . . . rr_2mce 1
. 6 . 1777 . 1 1 13 LYS HE2 H 1.661 -3.025 -5.146 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HE2 . . . . . . . . . rr_2mce 1
. 6 . 1778 . 1 1 13 LYS HE3 H 0.395 -1.868 -4.783 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HE3 . . . . . . . . . rr_2mce 1
. 6 . 1779 . 1 1 13 LYS HG2 H 1.141 -0.542 -3.464 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HG2 . . . . . . . . . rr_2mce 1
. 6 . 1780 . 1 1 13 LYS HG3 H 1.638 0.887 -4.349 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HG3 . . . . . . . . . rr_2mce 1
. 6 . 1781 . 1 1 13 LYS HZ1 H 1.324 -2.785 -7.383 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HZ1 . . . . . . . . . rr_2mce 1
. 6 . 1782 . 1 1 13 LYS HZ3 H 0.940 -1.203 -7.309 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HZ3 . . . . . . . . . rr_2mce 1
. 6 . 1783 . 1 1 13 LYS N N 2.348 -1.558 -1.445 . . . 1.0 . . . . . . . . . . . . A . 13 LYS N . . . . . . . . . rr_2mce 1
. 6 . 1784 . 1 1 13 LYS NZ N 0.810 -2.096 -6.845 . . . 1.0 . . . . . . . . . . . . A . 13 LYS NZ . . . . . . . . . rr_2mce 1
. 6 . 1785 . 1 1 13 LYS O O 5.838 -1.414 -2.092 . . . 1.0 . . . . . . . . . . . . A . 13 LYS O . . . . . . . . . rr_2mce 1
. 6 . 1786 . 1 1 14 THR C C 6.295 -2.369 0.909 . . . 1.0 . . . . . . . . . . . . A . 14 THR C . . . . . . . . . rr_2mce 1
. 6 . 1787 . 1 1 14 THR CA C 5.767 -0.957 0.648 . . . 1.0 . . . . . . . . . . . . A . 14 THR CA . . . . . . . . . rr_2mce 1
. 6 . 1788 . 1 1 14 THR CB C 5.355 -0.216 1.923 . . . 1.0 . . . . . . . . . . . . A . 14 THR CB . . . . . . . . . rr_2mce 1
. 6 . 1789 . 1 1 14 THR CG2 C 6.419 -0.302 3.019 . . . 1.0 . . . . . . . . . . . . A . 14 THR CG2 . . . . . . . . . rr_2mce 1
. 6 . 1790 . 1 1 14 THR H H 3.733 -0.852 0.211 . . . 1.0 . . . . . . . . . . . . A . 14 THR H . . . . . . . . . rr_2mce 1
. 6 . 1791 . 1 1 14 THR HA H 6.562 -0.405 0.148 . . . 1.0 . . . . . . . . . . . . A . 14 THR HA . . . . . . . . . rr_2mce 1
. 6 . 1792 . 1 1 14 THR HB H 4.392 -0.574 2.287 . . . 1.0 . . . . . . . . . . . . A . 14 THR HB . . . . . . . . . rr_2mce 1
. 6 . 1793 . 1 1 14 THR HG1 H 6.295 1.461 1.370 . . . 1.0 . . . . . . . . . . . . A . 14 THR HG1 . . . . . . . . . rr_2mce 1
. 6 . 1794 . 1 1 14 THR HG21 H 7.315 0.229 2.698 . . . 1.0 . . . . . . . . . . . . A . 14 THR HG21 . . . . . . . . . rr_2mce 1
. 6 . 1795 . 1 1 14 THR HG22 H 6.037 0.150 3.933 . . . 1.0 . . . . . . . . . . . . A . 14 THR HG22 . . . . . . . . . rr_2mce 1
. 6 . 1796 . 1 1 14 THR HG23 H 6.665 -1.347 3.206 . . . 1.0 . . . . . . . . . . . . A . 14 THR HG23 . . . . . . . . . rr_2mce 1
. 6 . 1797 . 1 1 14 THR N N 4.615 -1.002 -0.235 . . . 1.0 . . . . . . . . . . . . A . 14 THR N . . . . . . . . . rr_2mce 1
. 6 . 1798 . 1 1 14 THR O O 7.465 -2.545 1.247 . . . 1.0 . . . . . . . . . . . . A . 14 THR O . . . . . . . . . rr_2mce 1
. 6 . 1799 . 1 1 14 THR OG1 O 5.359 1.157 1.543 . . . 1.0 . . . . . . . . . . . . A . 14 THR OG1 . . . . . . . . . rr_2mce 1
. 6 . 1800 . 1 1 15 ASP C C 6.624 -5.214 -0.216 . . . 1.0 . . . . . . . . . . . . A . 15 ASP C . . . . . . . . . rr_2mce 1
. 6 . 1801 . 1 1 15 ASP CA C 5.769 -4.728 0.957 . . . 1.0 . . . . . . . . . . . . A . 15 ASP CA . . . . . . . . . rr_2mce 1
. 6 . 1802 . 1 1 15 ASP CB C 4.526 -5.617 1.035 . . . 1.0 . . . . . . . . . . . . A . 15 ASP CB . . . . . . . . . rr_2mce 1
. 6 . 1803 . 1 1 15 ASP CG C 3.938 -5.783 2.438 . . . 1.0 . . . . . . . . . . . . A . 15 ASP CG . . . . . . . . . rr_2mce 1
. 6 . 1804 . 1 1 15 ASP H H 4.458 -3.186 0.469 . . . 1.0 . . . . . . . . . . . . A . 15 ASP H . . . . . . . . . rr_2mce 1
. 6 . 1805 . 1 1 15 ASP HA H 6.312 -4.742 1.901 . . . 1.0 . . . . . . . . . . . . A . 15 ASP HA . . . . . . . . . rr_2mce 1
. 6 . 1806 . 1 1 15 ASP HB2 H 3.758 -5.198 0.382 . . . 1.0 . . . . . . . . . . . . A . 15 ASP HB2 . . . . . . . . . rr_2mce 1
. 6 . 1807 . 1 1 15 ASP HB3 H 4.776 -6.602 0.642 . . . 1.0 . . . . . . . . . . . . A . 15 ASP HB3 . . . . . . . . . rr_2mce 1
. 6 . 1808 . 1 1 15 ASP HD2 H 2.167 -5.492 3.007 . . . 1.0 . . . . . . . . . . . . A . 15 ASP HD2 . . . . . . . . . rr_2mce 1
. 6 . 1809 . 1 1 15 ASP N N 5.407 -3.338 0.744 . . . 1.0 . . . . . . . . . . . . A . 15 ASP N . . . . . . . . . rr_2mce 1
. 6 . 1810 . 1 1 15 ASP O O 7.472 -6.090 -0.051 . . . 1.0 . . . . . . . . . . . . A . 15 ASP O . . . . . . . . . rr_2mce 1
. 6 . 1811 . 1 1 15 ASP OD1 O 4.377 -6.642 3.216 . . . 1.0 . . . . . . . . . . . . A . 15 ASP OD1 . . . . . . . . . rr_2mce 1
. 6 . 1812 . 1 1 15 ASP OD2 O 2.974 -4.975 2.724 . . . 1.0 . . . . . . . . . . . . A . 15 ASP OD2 . . . . . . . . . rr_2mce 1
. 6 . 1813 . 1 1 16 SER C C 8.559 -4.519 -2.459 . . . 1.0 . . . . . . . . . . . . A . 16 SER C . . . . . . . . . rr_2mce 1
. 6 . 1814 . 1 1 16 SER CA C 7.107 -4.986 -2.575 . . . 1.0 . . . . . . . . . . . . A . 16 SER CA . . . . . . . . . rr_2mce 1
. 6 . 1815 . 1 1 16 SER CB C 6.455 -4.384 -3.822 . . . 1.0 . . . . . . . . . . . . A . 16 SER CB . . . . . . . . . rr_2mce 1
. 6 . 1816 . 1 1 16 SER H H 5.680 -3.912 -1.501 . . . 1.0 . . . . . . . . . . . . A . 16 SER H . . . . . . . . . rr_2mce 1
. 6 . 1817 . 1 1 16 SER HA H 7.057 -6.073 -2.627 . . . 1.0 . . . . . . . . . . . . A . 16 SER HA . . . . . . . . . rr_2mce 1
. 6 . 1818 . 1 1 16 SER HB2 H 6.796 -4.926 -4.705 . . . 1.0 . . . . . . . . . . . . A . 16 SER HB2 . . . . . . . . . rr_2mce 1
. 6 . 1819 . 1 1 16 SER HB3 H 5.374 -4.516 -3.765 . . . 1.0 . . . . . . . . . . . . A . 16 SER HB3 . . . . . . . . . rr_2mce 1
. 6 . 1820 . 1 1 16 SER HG H 6.631 -2.528 -3.097 . . . 1.0 . . . . . . . . . . . . A . 16 SER HG . . . . . . . . . rr_2mce 1
. 6 . 1821 . 1 1 16 SER N N 6.371 -4.624 -1.375 . . . 1.0 . . . . . . . . . . . . A . 16 SER N . . . . . . . . . rr_2mce 1
. 6 . 1822 . 1 1 16 SER O O 9.451 -5.093 -3.084 . . . 1.0 . . . . . . . . . . . . A . 16 SER O . . . . . . . . . rr_2mce 1
. 6 . 1823 . 1 1 16 SER OG O 6.757 -3.000 -3.969 . . . 1.0 . . . . . . . . . . . . A . 16 SER OG . . . . . . . . . rr_2mce 1
. 6 . 1824 . 1 1 17 PHE C C 10.914 -3.838 -0.536 . . . 1.0 . . . . . . . . . . . . A . 17 PHE C . . . . . . . . . rr_2mce 1
. 6 . 1825 . 1 1 17 PHE CA C 10.082 -2.934 -1.449 . . . 1.0 . . . . . . . . . . . . A . 17 PHE CA . . . . . . . . . rr_2mce 1
. 6 . 1826 . 1 1 17 PHE CB C 9.904 -1.573 -0.774 . . . 1.0 . . . . . . . . . . . . A . 17 PHE CB . . . . . . . . . rr_2mce 1
. 6 . 1827 . 1 1 17 PHE CD1 C 12.005 -0.288 -1.223 . . . 1.0 . . . . . . . . . . . . A . 17 PHE CD1 . . . . . . . . . rr_2mce 1
. 6 . 1828 . 1 1 17 PHE CD2 C 10.023 0.425 -2.280 . . . 1.0 . . . . . . . . . . . . A . 17 PHE CD2 . . . . . . . . . rr_2mce 1
. 6 . 1829 . 1 1 17 PHE CE1 C 12.718 0.768 -1.852 . . . 1.0 . . . . . . . . . . . . A . 17 PHE CE1 . . . . . . . . . rr_2mce 1
. 6 . 1830 . 1 1 17 PHE CE2 C 10.737 1.479 -2.909 . . . 1.0 . . . . . . . . . . . . A . 17 PHE CE2 . . . . . . . . . rr_2mce 1
. 6 . 1831 . 1 1 17 PHE CG C 10.672 -0.437 -1.451 . . . 1.0 . . . . . . . . . . . . A . 17 PHE CG . . . . . . . . . rr_2mce 1
. 6 . 1832 . 1 1 17 PHE CZ C 12.070 1.628 -2.682 . . . 1.0 . . . . . . . . . . . . A . 17 PHE CZ . . . . . . . . . rr_2mce 1
. 6 . 1833 . 1 1 17 PHE H H 8.022 -3.023 -1.151 . . . 1.0 . . . . . . . . . . . . A . 17 PHE H . . . . . . . . . rr_2mce 1
. 6 . 1834 . 1 1 17 PHE HA H 10.560 -2.869 -2.426 . . . 1.0 . . . . . . . . . . . . A . 17 PHE HA . . . . . . . . . rr_2mce 1
. 6 . 1835 . 1 1 17 PHE HB2 H 8.842 -1.322 -0.760 . . . 1.0 . . . . . . . . . . . . A . 17 PHE HB2 . . . . . . . . . rr_2mce 1
. 6 . 1836 . 1 1 17 PHE HB3 H 10.226 -1.648 0.264 . . . 1.0 . . . . . . . . . . . . A . 17 PHE HB3 . . . . . . . . . rr_2mce 1
. 6 . 1837 . 1 1 17 PHE HD1 H 12.525 -0.977 -0.558 . . . 1.0 . . . . . . . . . . . . A . 17 PHE HD1 . . . . . . . . . rr_2mce 1
. 6 . 1838 . 1 1 17 PHE HD2 H 8.956 0.305 -2.463 . . . 1.0 . . . . . . . . . . . . A . 17 PHE HD2 . . . . . . . . . rr_2mce 1
. 6 . 1839 . 1 1 17 PHE HE1 H 13.786 0.886 -1.670 . . . 1.0 . . . . . . . . . . . . A . 17 PHE HE1 . . . . . . . . . rr_2mce 1
. 6 . 1840 . 1 1 17 PHE HE2 H 10.218 2.169 -3.573 . . . 1.0 . . . . . . . . . . . . A . 17 PHE HE2 . . . . . . . . . rr_2mce 1
. 6 . 1841 . 1 1 17 PHE HZ H 12.618 2.437 -3.164 . . . 1.0 . . . . . . . . . . . . A . 17 PHE HZ . . . . . . . . . rr_2mce 1
. 6 . 1842 . 1 1 17 PHE N N 8.752 -3.484 -1.655 . . . 1.0 . . . . . . . . . . . . A . 17 PHE N . . . . . . . . . rr_2mce 1
. 6 . 1843 . 1 1 17 PHE O O 12.142 -3.803 -0.574 . . . 1.0 . . . . . . . . . . . . A . 17 PHE O . . . . . . . . . rr_2mce 1
. 6 . 1844 . 1 1 18 VAL C C 11.619 -6.606 0.388 . . . 1.0 . . . . . . . . . . . . A . 18 VAL C . . . . . . . . . rr_2mce 1
. 6 . 1845 . 1 1 18 VAL CA C 10.867 -5.537 1.184 . . . 1.0 . . . . . . . . . . . . A . 18 VAL CA . . . . . . . . . rr_2mce 1
. 6 . 1846 . 1 1 18 VAL CB C 9.845 -6.126 2.158 . . . 1.0 . . . . . . . . . . . . A . 18 VAL CB . . . . . . . . . rr_2mce 1
. 6 . 1847 . 1 1 18 VAL CG1 C 10.532 -6.978 3.226 . . . 1.0 . . . . . . . . . . . . A . 18 VAL CG1 . . . . . . . . . rr_2mce 1
. 6 . 1848 . 1 1 18 VAL CG2 C 8.998 -5.023 2.796 . . . 1.0 . . . . . . . . . . . . A . 18 VAL CG2 . . . . . . . . . rr_2mce 1
. 6 . 1849 . 1 1 18 VAL H H 9.210 -4.649 0.288 . . . 1.0 . . . . . . . . . . . . A . 18 VAL H . . . . . . . . . rr_2mce 1
. 6 . 1850 . 1 1 18 VAL HA H 11.588 -4.958 1.761 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HA . . . . . . . . . rr_2mce 1
. 6 . 1851 . 1 1 18 VAL HB H 9.177 -6.776 1.590 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HB . . . . . . . . . rr_2mce 1
. 6 . 1852 . 1 1 18 VAL HG11 H 10.093 -7.975 3.234 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HG11 . . . . . . . . . rr_2mce 1
. 6 . 1853 . 1 1 18 VAL HG12 H 11.596 -7.051 3.003 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HG12 . . . . . . . . . rr_2mce 1
. 6 . 1854 . 1 1 18 VAL HG13 H 10.396 -6.514 4.203 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HG13 . . . . . . . . . rr_2mce 1
. 6 . 1855 . 1 1 18 VAL HG21 H 9.057 -4.121 2.188 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HG21 . . . . . . . . . rr_2mce 1
. 6 . 1856 . 1 1 18 VAL HG22 H 7.959 -5.353 2.857 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HG22 . . . . . . . . . rr_2mce 1
. 6 . 1857 . 1 1 18 VAL HG23 H 9.372 -4.812 3.797 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HG23 . . . . . . . . . rr_2mce 1
. 6 . 1858 . 1 1 18 VAL N N 10.210 -4.626 0.263 . . . 1.0 . . . . . . . . . . . . A . 18 VAL N . . . . . . . . . rr_2mce 1
. 6 . 1859 . 1 1 18 VAL O O 12.649 -7.109 0.835 . . . 1.0 . . . . . . . . . . . . A . 18 VAL O . . . . . . . . . rr_2mce 1
. 6 . 1860 . 1 1 19 GLY C C 12.785 -7.304 -2.504 . . . 1.0 . . . . . . . . . . . . A . 19 GLY C . . . . . . . . . rr_2mce 1
. 6 . 1861 . 1 1 19 GLY CA C 11.681 -7.920 -1.642 . . . 1.0 . . . . . . . . . . . . A . 19 GLY CA . . . . . . . . . rr_2mce 1
. 6 . 1862 . 1 1 19 GLY H H 10.238 -6.507 -1.135 . . . 1.0 . . . . . . . . . . . . A . 19 GLY H . . . . . . . . . rr_2mce 1
. 6 . 1863 . 1 1 19 GLY HA2 H 12.096 -8.726 -1.036 . . . 1.0 . . . . . . . . . . . . A . 19 GLY HA2 . . . . . . . . . rr_2mce 1
. 6 . 1864 . 1 1 19 GLY HA3 H 10.919 -8.364 -2.282 . . . 1.0 . . . . . . . . . . . . A . 19 GLY HA3 . . . . . . . . . rr_2mce 1
. 6 . 1865 . 1 1 19 GLY N N 11.075 -6.921 -0.780 . . . 1.0 . . . . . . . . . . . . A . 19 GLY N . . . . . . . . . rr_2mce 1
. 6 . 1866 . 1 1 19 GLY O O 13.430 -8.002 -3.285 . . . 1.0 . . . . . . . . . . . . A . 19 GLY O . . . . . . . . . rr_2mce 1
. 6 . 1867 . 1 1 20 LEU C C 15.296 -5.303 -2.311 . . . 1.0 . . . . . . . . . . . . A . 20 LEU C . . . . . . . . . rr_2mce 1
. 6 . 1868 . 1 1 20 LEU CA C 13.979 -5.284 -3.089 . . . 1.0 . . . . . . . . . . . . A . 20 LEU CA . . . . . . . . . rr_2mce 1
. 6 . 1869 . 1 1 20 LEU CB C 13.491 -3.876 -3.437 . . . 1.0 . . . . . . . . . . . . A . 20 LEU CB . . . . . . . . . rr_2mce 1
. 6 . 1870 . 1 1 20 LEU CD1 C 11.542 -3.555 -5.005 . . . 1.0 . . . . . . . . . . . . A . 20 LEU CD1 . . . . . . . . . rr_2mce 1
. 6 . 1871 . 1 1 20 LEU CD2 C 13.765 -2.432 -5.486 . . . 1.0 . . . . . . . . . . . . A . 20 LEU CD2 . . . . . . . . . rr_2mce 1
. 6 . 1872 . 1 1 20 LEU CG C 13.064 -3.654 -4.890 . . . 1.0 . . . . . . . . . . . . A . 20 LEU CG . . . . . . . . . rr_2mce 1
. 6 . 1873 . 1 1 20 LEU H H 12.435 -5.442 -1.699 . . . 1.0 . . . . . . . . . . . . A . 20 LEU H . . . . . . . . . rr_2mce 1
. 6 . 1874 . 1 1 20 LEU HA H 14.126 -5.816 -4.029 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HA . . . . . . . . . rr_2mce 1
. 6 . 1875 . 1 1 20 LEU HB2 H 12.646 -3.636 -2.791 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HB2 . . . . . . . . . rr_2mce 1
. 6 . 1876 . 1 1 20 LEU HB3 H 14.285 -3.168 -3.200 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HB3 . . . . . . . . . rr_2mce 1
. 6 . 1877 . 1 1 20 LEU HD11 H 11.078 -4.250 -4.304 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HD11 . . . . . . . . . rr_2mce 1
. 6 . 1878 . 1 1 20 LEU HD12 H 11.225 -2.539 -4.774 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HD12 . . . . . . . . . rr_2mce 1
. 6 . 1879 . 1 1 20 LEU HD13 H 11.238 -3.808 -6.021 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HD13 . . . . . . . . . rr_2mce 1
. 6 . 1880 . 1 1 20 LEU HD21 H 14.825 -2.649 -5.618 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HD21 . . . . . . . . . rr_2mce 1
. 6 . 1881 . 1 1 20 LEU HD22 H 13.320 -2.193 -6.453 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HD22 . . . . . . . . . rr_2mce 1
. 6 . 1882 . 1 1 20 LEU HD23 H 13.650 -1.582 -4.813 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HD23 . . . . . . . . . rr_2mce 1
. 6 . 1883 . 1 1 20 LEU HG H 13.376 -4.520 -5.474 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HG . . . . . . . . . rr_2mce 1
. 6 . 1884 . 1 1 20 LEU N N 12.965 -6.002 -2.335 . . . 1.0 . . . . . . . . . . . . A . 20 LEU N . . . . . . . . . rr_2mce 1
. 6 . 1885 . 1 1 20 LEU O O 16.369 -5.155 -2.895 . . . 1.0 . . . . . . . . . . . . A . 20 LEU O . . . . . . . . . rr_2mce 1
. 6 . 1886 . 1 1 21 MET C C 17.140 -6.812 -0.359 . . . 1.0 . . . . . . . . . . . . A . 21 MET C . . . . . . . . . rr_2mce 1
. 6 . 1887 . 1 1 21 MET CA C 16.339 -5.526 -0.140 . . . 1.0 . . . . . . . . . . . . A . 21 MET CA . . . . . . . . . rr_2mce 1
. 6 . 1888 . 1 1 21 MET CB C 15.896 -5.444 1.321 . . . 1.0 . . . . . . . . . . . . A . 21 MET CB . . . . . . . . . rr_2mce 1
. 6 . 1889 . 1 1 21 MET CE C 18.362 -2.782 3.237 . . . 1.0 . . . . . . . . . . . . A . 21 MET CE . . . . . . . . . rr_2mce 1
. 6 . 1890 . 1 1 21 MET CG C 16.354 -4.130 1.960 . . . 1.0 . . . . . . . . . . . . A . 21 MET CG . . . . . . . . . rr_2mce 1
. 6 . 1891 . 1 1 21 MET H H 14.296 -5.605 -0.538 . . . 1.0 . . . . . . . . . . . . A . 21 MET H . . . . . . . . . rr_2mce 1
. 6 . 1892 . 1 1 21 MET HA H 16.942 -4.662 -0.421 . . . 1.0 . . . . . . . . . . . . A . 21 MET HA . . . . . . . . . rr_2mce 1
. 6 . 1893 . 1 1 21 MET HB2 H 14.810 -5.521 1.381 . . . 1.0 . . . . . . . . . . . . A . 21 MET HB2 . . . . . . . . . rr_2mce 1
. 6 . 1894 . 1 1 21 MET HB3 H 16.306 -6.286 1.878 . . . 1.0 . . . . . . . . . . . . A . 21 MET HB3 . . . . . . . . . rr_2mce 1
. 6 . 1895 . 1 1 21 MET HE1 H 17.715 -2.200 3.893 . . . 1.0 . . . . . . . . . . . . A . 21 MET HE1 . . . . . . . . . rr_2mce 1
. 6 . 1896 . 1 1 21 MET HE2 H 19.365 -2.826 3.662 . . . 1.0 . . . . . . . . . . . . A . 21 MET HE2 . . . . . . . . . rr_2mce 1
. 6 . 1897 . 1 1 21 MET HE3 H 18.403 -2.313 2.255 . . . 1.0 . . . . . . . . . . . . A . 21 MET HE3 . . . . . . . . . rr_2mce 1
. 6 . 1898 . 1 1 21 MET HG2 H 16.662 -3.428 1.186 . . . 1.0 . . . . . . . . . . . . A . 21 MET HG2 . . . . . . . . . rr_2mce 1
. 6 . 1899 . 1 1 21 MET HG3 H 15.525 -3.670 2.499 . . . 1.0 . . . . . . . . . . . . A . 21 MET HG3 . . . . . . . . . rr_2mce 1
. 6 . 1900 . 1 1 21 MET N N 15.172 -5.486 -1.004 . . . 1.0 . . . . . . . . . . . . A . 21 MET N . . . . . . . . . rr_2mce 1
. 6 . 1901 . 1 1 21 MET O O 18.325 -6.761 -0.684 . . . 1.0 . . . . . . . . . . . . A . 21 MET O . . . . . . . . . rr_2mce 1
. 6 . 1902 . 1 1 21 MET SD S 17.711 -4.437 3.079 . . . 1.0 . . . . . . . . . . . . A . 21 MET SD . . . . . . . . . rr_2mce 1
. 7 . 1903 . 1 1 1 ASP C C -14.455 8.929 1.768 . . . 1.0 . . . . . . . . . . . . A . 1 ASP C . . . . . . . . . rr_2mce 1
. 7 . 1904 . 1 1 1 ASP CA C -14.465 10.297 1.082 . . . 1.0 . . . . . . . . . . . . A . 1 ASP CA . . . . . . . . . rr_2mce 1
. 7 . 1905 . 1 1 1 ASP CB C -13.323 10.322 0.064 . . . 1.0 . . . . . . . . . . . . A . 1 ASP CB . . . . . . . . . rr_2mce 1
. 7 . 1906 . 1 1 1 ASP CG C -13.007 11.702 -0.518 . . . 1.0 . . . . . . . . . . . . A . 1 ASP CG . . . . . . . . . rr_2mce 1
. 7 . 1907 . 1 1 1 ASP H1 H -13.574 11.999 1.887 . . . 1.0 . . . . . . . . . . . . A . 1 ASP H1 . . . . . . . . . rr_2mce 1
. 7 . 1908 . 1 1 1 ASP HA H -15.418 10.513 0.598 . . . 1.0 . . . . . . . . . . . . A . 1 ASP HA . . . . . . . . . rr_2mce 1
. 7 . 1909 . 1 1 1 ASP HB2 H -12.424 9.930 0.538 . . . 1.0 . . . . . . . . . . . . A . 1 ASP HB2 . . . . . . . . . rr_2mce 1
. 7 . 1910 . 1 1 1 ASP HB3 H -13.571 9.649 -0.756 . . . 1.0 . . . . . . . . . . . . A . 1 ASP HB3 . . . . . . . . . rr_2mce 1
. 7 . 1911 . 1 1 1 ASP HD2 H -11.227 12.244 -0.225 . . . 1.0 . . . . . . . . . . . . A . 1 ASP HD2 . . . . . . . . . rr_2mce 1
. 7 . 1912 . 1 1 1 ASP N N -14.298 11.337 2.082 . . . 1.0 . . . . . . . . . . . . A . 1 ASP N . . . . . . . . . rr_2mce 1
. 7 . 1913 . 1 1 1 ASP O O -13.738 8.726 2.746 . . . 1.0 . . . . . . . . . . . . A . 1 ASP O . . . . . . . . . rr_2mce 1
. 7 . 1914 . 1 1 1 ASP OD1 O -13.558 12.101 -1.554 . . . 1.0 . . . . . . . . . . . . A . 1 ASP OD1 . . . . . . . . . rr_2mce 1
. 7 . 1915 . 1 1 1 ASP OD2 O -12.142 12.389 0.150 . . . 1.0 . . . . . . . . . . . . A . 1 ASP OD2 . . . . . . . . . rr_2mce 1
. 7 . 1916 . 1 1 2 ALA C C -14.317 5.785 1.094 . . . 1.0 . . . . . . . . . . . . A . 2 ALA C . . . . . . . . . rr_2mce 1
. 7 . 1917 . 1 1 2 ALA CA C -15.352 6.683 1.776 . . . 1.0 . . . . . . . . . . . . A . 2 ALA CA . . . . . . . . . rr_2mce 1
. 7 . 1918 . 1 1 2 ALA CB C -16.780 6.159 1.605 . . . 1.0 . . . . . . . . . . . . A . 2 ALA CB . . . . . . . . . rr_2mce 1
. 7 . 1919 . 1 1 2 ALA H H -15.840 8.198 0.432 . . . 1.0 . . . . . . . . . . . . A . 2 ALA H . . . . . . . . . rr_2mce 1
. 7 . 1920 . 1 1 2 ALA HA H -15.124 6.742 2.840 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HA . . . . . . . . . rr_2mce 1
. 7 . 1921 . 1 1 2 ALA HB1 H -17.173 6.483 0.641 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HB1 . . . . . . . . . rr_2mce 1
. 7 . 1922 . 1 1 2 ALA HB2 H -16.774 5.070 1.649 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HB2 . . . . . . . . . rr_2mce 1
. 7 . 1923 . 1 1 2 ALA HB3 H -17.408 6.551 2.404 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HB3 . . . . . . . . . rr_2mce 1
. 7 . 1924 . 1 1 2 ALA N N -15.259 8.025 1.228 . . . 1.0 . . . . . . . . . . . . A . 2 ALA N . . . . . . . . . rr_2mce 1
. 7 . 1925 . 1 1 2 ALA O O -13.782 4.867 1.714 . . . 1.0 . . . . . . . . . . . . A . 2 ALA O . . . . . . . . . rr_2mce 1
. 7 . 1926 . 1 1 3 GLY C C -11.670 5.664 -0.537 . . . 1.0 . . . . . . . . . . . . A . 3 GLY C . . . . . . . . . rr_2mce 1
. 7 . 1927 . 1 1 3 GLY CA C -13.103 5.315 -0.944 . . . 1.0 . . . . . . . . . . . . A . 3 GLY CA . . . . . . . . . rr_2mce 1
. 7 . 1928 . 1 1 3 GLY H H -14.504 6.832 -0.668 . . . 1.0 . . . . . . . . . . . . A . 3 GLY H . . . . . . . . . rr_2mce 1
. 7 . 1929 . 1 1 3 GLY HA2 H -13.279 4.250 -0.794 . . . 1.0 . . . . . . . . . . . . A . 3 GLY HA2 . . . . . . . . . rr_2mce 1
. 7 . 1930 . 1 1 3 GLY HA3 H -13.241 5.516 -2.007 . . . 1.0 . . . . . . . . . . . . A . 3 GLY HA3 . . . . . . . . . rr_2mce 1
. 7 . 1931 . 1 1 3 GLY N N -14.064 6.083 -0.172 . . . 1.0 . . . . . . . . . . . . A . 3 GLY N . . . . . . . . . rr_2mce 1
. 7 . 1932 . 1 1 3 GLY O O -10.715 5.131 -1.099 . . . 1.0 . . . . . . . . . . . . A . 3 GLY O . . . . . . . . . rr_2mce 1
. 7 . 1933 . 1 1 4 HIS C C -9.551 5.797 1.582 . . . 1.0 . . . . . . . . . . . . A . 4 HIS C . . . . . . . . . rr_2mce 1
. 7 . 1934 . 1 1 4 HIS CA C -10.265 6.980 0.926 . . . 1.0 . . . . . . . . . . . . A . 4 HIS CA . . . . . . . . . rr_2mce 1
. 7 . 1935 . 1 1 4 HIS CB C -10.404 8.182 1.864 . . . 1.0 . . . . . . . . . . . . A . 4 HIS CB . . . . . . . . . rr_2mce 1
. 7 . 1936 . 1 1 4 HIS CD2 C -11.195 8.052 4.351 . . . 1.0 . . . . . . . . . . . . A . 4 HIS CD2 . . . . . . . . . rr_2mce 1
. 7 . 1937 . 1 1 4 HIS CE1 C -9.455 7.011 5.177 . . . 1.0 . . . . . . . . . . . . A . 4 HIS CE1 . . . . . . . . . rr_2mce 1
. 7 . 1938 . 1 1 4 HIS CG C -10.318 7.831 3.330 . . . 1.0 . . . . . . . . . . . . A . 4 HIS CG . . . . . . . . . rr_2mce 1
. 7 . 1939 . 1 1 4 HIS H H -12.348 6.983 0.890 . . . 1.0 . . . . . . . . . . . . A . 4 HIS H . . . . . . . . . rr_2mce 1
. 7 . 1940 . 1 1 4 HIS HA H -9.693 7.302 0.056 . . . 1.0 . . . . . . . . . . . . A . 4 HIS HA . . . . . . . . . rr_2mce 1
. 7 . 1941 . 1 1 4 HIS HB2 H -9.623 8.906 1.628 . . . 1.0 . . . . . . . . . . . . A . 4 HIS HB2 . . . . . . . . . rr_2mce 1
. 7 . 1942 . 1 1 4 HIS HB3 H -11.359 8.671 1.673 . . . 1.0 . . . . . . . . . . . . A . 4 HIS HB3 . . . . . . . . . rr_2mce 1
. 7 . 1943 . 1 1 4 HIS HD1 H -8.418 6.872 3.386 . . . 1.0 . . . . . . . . . . . . A . 4 HIS HD1 . . . . . . . . . rr_2mce 1
. 7 . 1944 . 1 1 4 HIS HD2 H -12.159 8.551 4.267 . . . 1.0 . . . . . . . . . . . . A . 4 HIS HD2 . . . . . . . . . rr_2mce 1
. 7 . 1945 . 1 1 4 HIS HE1 H -8.785 6.527 5.887 . . . 1.0 . . . . . . . . . . . . A . 4 HIS HE1 . . . . . . . . . rr_2mce 1
. 7 . 1946 . 1 1 4 HIS N N -11.565 6.555 0.438 . . . 1.0 . . . . . . . . . . . . A . 4 HIS N . . . . . . . . . rr_2mce 1
. 7 . 1947 . 1 1 4 HIS ND1 N -9.232 7.174 3.881 . . . 1.0 . . . . . . . . . . . . A . 4 HIS ND1 . . . . . . . . . rr_2mce 1
. 7 . 1948 . 1 1 4 HIS NE2 N -10.672 7.556 5.466 . . . 1.0 . . . . . . . . . . . . A . 4 HIS NE2 . . . . . . . . . rr_2mce 1
. 7 . 1949 . 1 1 4 HIS O O -8.337 5.831 1.778 . . . 1.0 . . . . . . . . . . . . A . 4 HIS O . . . . . . . . . rr_2mce 1
. 7 . 1950 . 1 1 5 GLY C C -8.994 2.750 1.526 . . . 1.0 . . . . . . . . . . . . A . 5 GLY C . . . . . . . . . rr_2mce 1
. 7 . 1951 . 1 1 5 GLY CA C -9.792 3.585 2.530 . . . 1.0 . . . . . . . . . . . . A . 5 GLY CA . . . . . . . . . rr_2mce 1
. 7 . 1952 . 1 1 5 GLY H H -11.320 4.757 1.738 . . . 1.0 . . . . . . . . . . . . A . 5 GLY H . . . . . . . . . rr_2mce 1
. 7 . 1953 . 1 1 5 GLY HA2 H -9.150 3.869 3.364 . . . 1.0 . . . . . . . . . . . . A . 5 GLY HA2 . . . . . . . . . rr_2mce 1
. 7 . 1954 . 1 1 5 GLY HA3 H -10.604 2.986 2.942 . . . 1.0 . . . . . . . . . . . . A . 5 GLY HA3 . . . . . . . . . rr_2mce 1
. 7 . 1955 . 1 1 5 GLY N N -10.335 4.777 1.901 . . . 1.0 . . . . . . . . . . . . A . 5 GLY N . . . . . . . . . rr_2mce 1
. 7 . 1956 . 1 1 5 GLY O O -8.232 1.866 1.915 . . . 1.0 . . . . . . . . . . . . A . 5 GLY O . . . . . . . . . rr_2mce 1
. 7 . 1957 . 1 1 6 GLN C C -7.037 2.778 -0.866 . . . 1.0 . . . . . . . . . . . . A . 6 GLN C . . . . . . . . . rr_2mce 1
. 7 . 1958 . 1 1 6 GLN CA C -8.505 2.350 -0.809 . . . 1.0 . . . . . . . . . . . . A . 6 GLN CA . . . . . . . . . rr_2mce 1
. 7 . 1959 . 1 1 6 GLN CB C -9.194 2.574 -2.156 . . . 1.0 . . . . . . . . . . . . A . 6 GLN CB . . . . . . . . . rr_2mce 1
. 7 . 1960 . 1 1 6 GLN CD C -10.319 0.317 -2.187 . . . 1.0 . . . . . . . . . . . . A . 6 GLN CD . . . . . . . . . rr_2mce 1
. 7 . 1961 . 1 1 6 GLN CG C -10.531 1.832 -2.219 . . . 1.0 . . . . . . . . . . . . A . 6 GLN CG . . . . . . . . . rr_2mce 1
. 7 . 1962 . 1 1 6 GLN H H -9.818 3.782 -0.054 . . . 1.0 . . . . . . . . . . . . A . 6 GLN H . . . . . . . . . rr_2mce 1
. 7 . 1963 . 1 1 6 GLN HA H -8.573 1.295 -0.543 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HA . . . . . . . . . rr_2mce 1
. 7 . 1964 . 1 1 6 GLN HB2 H -9.358 3.640 -2.312 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HB2 . . . . . . . . . rr_2mce 1
. 7 . 1965 . 1 1 6 GLN HB3 H -8.546 2.230 -2.962 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HB3 . . . . . . . . . rr_2mce 1
. 7 . 1966 . 1 1 6 GLN HE21 H -11.139 0.289 -0.336 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HE21 . . . . . . . . . rr_2mce 1
. 7 . 1967 . 1 1 6 GLN HE22 H -10.637 -1.253 -0.948 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HE22 . . . . . . . . . rr_2mce 1
. 7 . 1968 . 1 1 6 GLN HG2 H -11.157 2.133 -1.378 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HG2 . . . . . . . . . rr_2mce 1
. 7 . 1969 . 1 1 6 GLN HG3 H -11.063 2.110 -3.129 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HG3 . . . . . . . . . rr_2mce 1
. 7 . 1970 . 1 1 6 GLN N N -9.196 3.061 0.254 . . . 1.0 . . . . . . . . . . . . A . 6 GLN N . . . . . . . . . rr_2mce 1
. 7 . 1971 . 1 1 6 GLN NE2 N -10.733 -0.263 -1.063 . . . 1.0 . . . . . . . . . . . . A . 6 GLN NE2 . . . . . . . . . rr_2mce 1
. 7 . 1972 . 1 1 6 GLN O O -6.191 2.039 -1.367 . . . 1.0 . . . . . . . . . . . . A . 6 GLN O . . . . . . . . . rr_2mce 1
. 7 . 1973 . 1 1 6 GLN OE1 O -9.814 -0.284 -3.120 . . . 1.0 . . . . . . . . . . . . A . 6 GLN OE1 . . . . . . . . . rr_2mce 1
. 7 . 1974 . 1 1 7 ILE C C -4.611 3.784 0.741 . . . 1.0 . . . . . . . . . . . . A . 7 ILE C . . . . . . . . . rr_2mce 1
. 7 . 1975 . 1 1 7 ILE CA C -5.430 4.504 -0.332 . . . 1.0 . . . . . . . . . . . . A . 7 ILE CA . . . . . . . . . rr_2mce 1
. 7 . 1976 . 1 1 7 ILE CB C -5.457 6.025 -0.166 . . . 1.0 . . . . . . . . . . . . A . 7 ILE CB . . . . . . . . . rr_2mce 1
. 7 . 1977 . 1 1 7 ILE CD1 C -6.416 8.140 -1.149 . . . 1.0 . . . . . . . . . . . . A . 7 ILE CD1 . . . . . . . . . rr_2mce 1
. 7 . 1978 . 1 1 7 ILE CG1 C -5.966 6.706 -1.437 . . . 1.0 . . . . . . . . . . . . A . 7 ILE CG1 . . . . . . . . . rr_2mce 1
. 7 . 1979 . 1 1 7 ILE CG2 C -4.087 6.555 0.260 . . . 1.0 . . . . . . . . . . . . A . 7 ILE CG2 . . . . . . . . . rr_2mce 1
. 7 . 1980 . 1 1 7 ILE H H -7.475 4.564 0.060 . . . 1.0 . . . . . . . . . . . . A . 7 ILE H . . . . . . . . . rr_2mce 1
. 7 . 1981 . 1 1 7 ILE HA H -4.985 4.294 -1.304 . . . 1.0 . . . . . . . . . . . . A . 7 ILE HA . . . . . . . . . rr_2mce 1
. 7 . 1982 . 1 1 7 ILE HB H -6.158 6.269 0.633 . . . 1.0 . . . . . . . . . . . . A . 7 ILE HB . . . . . . . . . rr_2mce 1
. 7 . 1983 . 1 1 7 ILE HD11 H -5.774 8.838 -1.687 . . . 1.0 . . . . . . . . . . . . A . 7 ILE HD11 . . . . . . . . . rr_2mce 1
. 7 . 1984 . 1 1 7 ILE HD12 H -7.448 8.270 -1.476 . . . 1.0 . . . . . . . . . . . . A . 7 ILE HD12 . . . . . . . . . rr_2mce 1
. 7 . 1985 . 1 1 7 ILE HD13 H -6.346 8.334 -0.078 . . . 1.0 . . . . . . . . . . . . A . 7 ILE HD13 . . . . . . . . . rr_2mce 1
. 7 . 1986 . 1 1 7 ILE HG12 H -5.179 6.713 -2.191 . . . 1.0 . . . . . . . . . . . . A . 7 ILE HG12 . . . . . . . . . rr_2mce 1
. 7 . 1987 . 1 1 7 ILE HG13 H -6.799 6.137 -1.851 . . . 1.0 . . . . . . . . . . . . A . 7 ILE HG13 . . . . . . . . . rr_2mce 1
. 7 . 1988 . 1 1 7 ILE HG21 H -3.812 6.123 1.222 . . . 1.0 . . . . . . . . . . . . A . 7 ILE HG21 . . . . . . . . . rr_2mce 1
. 7 . 1989 . 1 1 7 ILE HG22 H -3.342 6.278 -0.488 . . . 1.0 . . . . . . . . . . . . A . 7 ILE HG22 . . . . . . . . . rr_2mce 1
. 7 . 1990 . 1 1 7 ILE HG23 H -4.127 7.641 0.347 . . . 1.0 . . . . . . . . . . . . A . 7 ILE HG23 . . . . . . . . . rr_2mce 1
. 7 . 1991 . 1 1 7 ILE N N -6.781 3.969 -0.346 . . . 1.0 . . . . . . . . . . . . A . 7 ILE N . . . . . . . . . rr_2mce 1
. 7 . 1992 . 1 1 7 ILE O O -3.401 3.976 0.839 . . . 1.0 . . . . . . . . . . . . A . 7 ILE O . . . . . . . . . rr_2mce 1
. 7 . 1993 . 1 1 8 SER C C -4.073 0.918 2.024 . . . 1.0 . . . . . . . . . . . . A . 8 SER C . . . . . . . . . rr_2mce 1
. 7 . 1994 . 1 1 8 SER CA C -4.659 2.216 2.583 . . . 1.0 . . . . . . . . . . . . A . 8 SER CA . . . . . . . . . rr_2mce 1
. 7 . 1995 . 1 1 8 SER CB C -5.640 1.910 3.717 . . . 1.0 . . . . . . . . . . . . A . 8 SER CB . . . . . . . . . rr_2mce 1
. 7 . 1996 . 1 1 8 SER H H -6.291 2.815 1.435 . . . 1.0 . . . . . . . . . . . . A . 8 SER H . . . . . . . . . rr_2mce 1
. 7 . 1997 . 1 1 8 SER HA H -3.866 2.865 2.955 . . . 1.0 . . . . . . . . . . . . A . 8 SER HA . . . . . . . . . rr_2mce 1
. 7 . 1998 . 1 1 8 SER HB2 H -6.351 2.730 3.813 . . . 1.0 . . . . . . . . . . . . A . 8 SER HB2 . . . . . . . . . rr_2mce 1
. 7 . 1999 . 1 1 8 SER HB3 H -6.213 1.017 3.469 . . . 1.0 . . . . . . . . . . . . A . 8 SER HB3 . . . . . . . . . rr_2mce 1
. 7 . 2000 . 1 1 8 SER HG H -5.343 2.338 5.650 . . . 1.0 . . . . . . . . . . . . A . 8 SER HG . . . . . . . . . rr_2mce 1
. 7 . 2001 . 1 1 8 SER N N -5.306 2.966 1.521 . . . 1.0 . . . . . . . . . . . . A . 8 SER N . . . . . . . . . rr_2mce 1
. 7 . 2002 . 1 1 8 SER O O -3.117 0.376 2.578 . . . 1.0 . . . . . . . . . . . . A . 8 SER O . . . . . . . . . rr_2mce 1
. 7 . 2003 . 1 1 8 SER OG O -4.972 1.715 4.961 . . . 1.0 . . . . . . . . . . . . A . 8 SER OG . . . . . . . . . rr_2mce 1
. 7 . 2004 . 1 1 9 HIS C C -2.862 -0.526 -0.374 . . . 1.0 . . . . . . . . . . . . A . 9 HIS C . . . . . . . . . rr_2mce 1
. 7 . 2005 . 1 1 9 HIS CA C -4.217 -0.766 0.295 . . . 1.0 . . . . . . . . . . . . A . 9 HIS CA . . . . . . . . . rr_2mce 1
. 7 . 2006 . 1 1 9 HIS CB C -5.274 -1.292 -0.678 . . . 1.0 . . . . . . . . . . . . A . 9 HIS CB . . . . . . . . . rr_2mce 1
. 7 . 2007 . 1 1 9 HIS CD2 C -4.606 0.281 -2.655 . . . 1.0 . . . . . . . . . . . . A . 9 HIS CD2 . . . . . . . . . rr_2mce 1
. 7 . 2008 . 1 1 9 HIS CE1 C -6.610 0.643 -3.456 . . . 1.0 . . . . . . . . . . . . A . 9 HIS CE1 . . . . . . . . . rr_2mce 1
. 7 . 2009 . 1 1 9 HIS CG C -5.493 -0.409 -1.883 . . . 1.0 . . . . . . . . . . . . A . 9 HIS CG . . . . . . . . . rr_2mce 1
. 7 . 2010 . 1 1 9 HIS H H -5.445 0.904 0.491 . . . 1.0 . . . . . . . . . . . . A . 9 HIS H . . . . . . . . . rr_2mce 1
. 7 . 2011 . 1 1 9 HIS HA H -4.096 -1.507 1.086 . . . 1.0 . . . . . . . . . . . . A . 9 HIS HA . . . . . . . . . rr_2mce 1
. 7 . 2012 . 1 1 9 HIS HB2 H -4.979 -2.285 -1.017 . . . 1.0 . . . . . . . . . . . . A . 9 HIS HB2 . . . . . . . . . rr_2mce 1
. 7 . 2013 . 1 1 9 HIS HB3 H -6.219 -1.405 -0.147 . . . 1.0 . . . . . . . . . . . . A . 9 HIS HB3 . . . . . . . . . rr_2mce 1
. 7 . 2014 . 1 1 9 HIS HD1 H -7.611 -0.527 -2.066 . . . 1.0 . . . . . . . . . . . . A . 9 HIS HD1 . . . . . . . . . rr_2mce 1
. 7 . 2015 . 1 1 9 HIS HD2 H -3.525 0.308 -2.515 . . . 1.0 . . . . . . . . . . . . A . 9 HIS HD2 . . . . . . . . . rr_2mce 1
. 7 . 2016 . 1 1 9 HIS HE1 H -7.415 1.022 -4.085 . . . 1.0 . . . . . . . . . . . . A . 9 HIS HE1 . . . . . . . . . rr_2mce 1
. 7 . 2017 . 1 1 9 HIS N N -4.669 0.458 0.934 . . . 1.0 . . . . . . . . . . . . A . 9 HIS N . . . . . . . . . rr_2mce 1
. 7 . 2018 . 1 1 9 HIS ND1 N -6.748 -0.161 -2.412 . . . 1.0 . . . . . . . . . . . . A . 9 HIS ND1 . . . . . . . . . rr_2mce 1
. 7 . 2019 . 1 1 9 HIS NE2 N -5.281 0.916 -3.605 . . . 1.0 . . . . . . . . . . . . A . 9 HIS NE2 . . . . . . . . . rr_2mce 1
. 7 . 2020 . 1 1 9 HIS O O -2.187 -1.473 -0.775 . . . 1.0 . . . . . . . . . . . . A . 9 HIS O . . . . . . . . . rr_2mce 1
. 7 . 2021 . 1 1 10 LYS C C -0.094 0.759 -0.144 . . . 1.0 . . . . . . . . . . . . A . 10 LYS C . . . . . . . . . rr_2mce 1
. 7 . 2022 . 1 1 10 LYS CA C -1.243 1.123 -1.087 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CA . . . . . . . . . rr_2mce 1
. 7 . 2023 . 1 1 10 LYS CB C -1.263 2.599 -1.491 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CB . . . . . . . . . rr_2mce 1
. 7 . 2024 . 1 1 10 LYS CD C -2.083 4.279 -3.184 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CD . . . . . . . . . rr_2mce 1
. 7 . 2025 . 1 1 10 LYS CE C -0.771 4.728 -3.831 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CE . . . . . . . . . rr_2mce 1
. 7 . 2026 . 1 1 10 LYS CG C -2.025 2.798 -2.802 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CG . . . . . . . . . rr_2mce 1
. 7 . 2027 . 1 1 10 LYS H H -3.060 1.510 -0.144 . . . 1.0 . . . . . . . . . . . . A . 10 LYS H . . . . . . . . . rr_2mce 1
. 7 . 2028 . 1 1 10 LYS HA H -1.137 0.540 -2.002 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HA . . . . . . . . . rr_2mce 1
. 7 . 2029 . 1 1 10 LYS HB2 H -1.729 3.190 -0.702 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HB2 . . . . . . . . . rr_2mce 1
. 7 . 2030 . 1 1 10 LYS HB3 H -0.242 2.963 -1.601 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HB3 . . . . . . . . . rr_2mce 1
. 7 . 2031 . 1 1 10 LYS HD2 H -2.910 4.448 -3.873 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HD2 . . . . . . . . . rr_2mce 1
. 7 . 2032 . 1 1 10 LYS HD3 H -2.279 4.879 -2.296 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HD3 . . . . . . . . . rr_2mce 1
. 7 . 2033 . 1 1 10 LYS HE2 H -0.027 3.938 -3.748 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HE2 . . . . . . . . . rr_2mce 1
. 7 . 2034 . 1 1 10 LYS HE3 H -0.927 4.909 -4.895 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HE3 . . . . . . . . . rr_2mce 1
. 7 . 2035 . 1 1 10 LYS HG2 H -1.541 2.232 -3.598 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HG2 . . . . . . . . . rr_2mce 1
. 7 . 2036 . 1 1 10 LYS HG3 H -3.037 2.405 -2.702 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HG3 . . . . . . . . . rr_2mce 1
. 7 . 2037 . 1 1 10 LYS HZ1 H 0.328 5.754 -2.389 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HZ1 . . . . . . . . . rr_2mce 1
. 7 . 2038 . 1 1 10 LYS HZ3 H -1.023 6.544 -2.838 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HZ3 . . . . . . . . . rr_2mce 1
. 7 . 2039 . 1 1 10 LYS N N -2.505 0.746 -0.474 . . . 1.0 . . . . . . . . . . . . A . 10 LYS N . . . . . . . . . rr_2mce 1
. 7 . 2040 . 1 1 10 LYS NZ N -0.269 5.961 -3.182 . . . 1.0 . . . . . . . . . . . . A . 10 LYS NZ . . . . . . . . . rr_2mce 1
. 7 . 2041 . 1 1 10 LYS O O 1.063 0.709 -0.560 . . . 1.0 . . . . . . . . . . . . A . 10 LYS O . . . . . . . . . rr_2mce 1
. 7 . 2042 . 1 1 11 ARG C C 1.175 -1.191 1.770 . . . 1.0 . . . . . . . . . . . . A . 11 ARG C . . . . . . . . . rr_2mce 1
. 7 . 2043 . 1 1 11 ARG CA C 0.534 0.156 2.112 . . . 1.0 . . . . . . . . . . . . A . 11 ARG CA . . . . . . . . . rr_2mce 1
. 7 . 2044 . 1 1 11 ARG CB C -0.101 0.073 3.501 . . . 1.0 . . . . . . . . . . . . A . 11 ARG CB . . . . . . . . . rr_2mce 1
. 7 . 2045 . 1 1 11 ARG CD C -1.223 2.253 4.090 . . . 1.0 . . . . . . . . . . . . A . 11 ARG CD . . . . . . . . . rr_2mce 1
. 7 . 2046 . 1 1 11 ARG CG C 0.038 1.402 4.247 . . . 1.0 . . . . . . . . . . . . A . 11 ARG CG . . . . . . . . . rr_2mce 1
. 7 . 2047 . 1 1 11 ARG CZ C -0.543 4.582 4.694 . . . 1.0 . . . . . . . . . . . . A . 11 ARG CZ . . . . . . . . . rr_2mce 1
. 7 . 2048 . 1 1 11 ARG H H -1.395 0.557 1.437 . . . 1.0 . . . . . . . . . . . . A . 11 ARG H . . . . . . . . . rr_2mce 1
. 7 . 2049 . 1 1 11 ARG HA H 1.270 0.959 2.079 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HA . . . . . . . . . rr_2mce 1
. 7 . 2050 . 1 1 11 ARG HB2 H -1.154 -0.187 3.409 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HB2 . . . . . . . . . rr_2mce 1
. 7 . 2051 . 1 1 11 ARG HB3 H 0.376 -0.722 4.076 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HB3 . . . . . . . . . rr_2mce 1
. 7 . 2052 . 1 1 11 ARG HD2 H -1.319 2.589 3.057 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HD2 . . . . . . . . . rr_2mce 1
. 7 . 2053 . 1 1 11 ARG HD3 H -2.106 1.655 4.313 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HD3 . . . . . . . . . rr_2mce 1
. 7 . 2054 . 1 1 11 ARG HE H -1.607 3.346 5.889 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HE . . . . . . . . . rr_2mce 1
. 7 . 2055 . 1 1 11 ARG HG2 H 0.224 1.212 5.304 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HG2 . . . . . . . . . rr_2mce 1
. 7 . 2056 . 1 1 11 ARG HG3 H 0.900 1.949 3.866 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HG3 . . . . . . . . . rr_2mce 1
. 7 . 2057 . 1 1 11 ARG HH11 H 0.076 3.994 2.839 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HH11 . . . . . . . . . rr_2mce 1
. 7 . 2058 . 1 1 11 ARG HH12 H 0.532 5.603 3.289 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HH12 . . . . . . . . . rr_2mce 1
. 7 . 2059 . 1 1 11 ARG HH22 H -0.116 6.450 5.435 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HH22 . . . . . . . . . rr_2mce 1
. 7 . 2060 . 1 1 11 ARG N N -0.452 0.514 1.107 . . . 1.0 . . . . . . . . . . . . A . 11 ARG N . . . . . . . . . rr_2mce 1
. 7 . 2061 . 1 1 11 ARG NE N -1.162 3.421 4.996 . . . 1.0 . . . . . . . . . . . . A . 11 ARG NE . . . . . . . . . rr_2mce 1
. 7 . 2062 . 1 1 11 ARG NH1 N 0.075 4.740 3.504 . . . 1.0 . . . . . . . . . . . . A . 11 ARG NH1 . . . . . . . . . rr_2mce 1
. 7 . 2063 . 1 1 11 ARG NH2 N -0.550 5.561 5.580 . . . 1.0 . . . . . . . . . . . . A . 11 ARG NH2 . . . . . . . . . rr_2mce 1
. 7 . 2064 . 1 1 11 ARG O O 2.193 -1.564 2.351 . . . 1.0 . . . . . . . . . . . . A . 11 ARG O . . . . . . . . . rr_2mce 1
. 7 . 2065 . 1 1 12 HIS C C 2.235 -2.992 -0.544 . . . 1.0 . . . . . . . . . . . . A . 12 HIS C . . . . . . . . . rr_2mce 1
. 7 . 2066 . 1 1 12 HIS CA C 1.048 -3.183 0.403 . . . 1.0 . . . . . . . . . . . . A . 12 HIS CA . . . . . . . . . rr_2mce 1
. 7 . 2067 . 1 1 12 HIS CB C -0.075 -4.019 -0.214 . . . 1.0 . . . . . . . . . . . . A . 12 HIS CB . . . . . . . . . rr_2mce 1
. 7 . 2068 . 1 1 12 HIS CD2 C -1.539 -5.881 0.891 . . . 1.0 . . . . . . . . . . . . A . 12 HIS CD2 . . . . . . . . . rr_2mce 1
. 7 . 2069 . 1 1 12 HIS CE1 C -2.311 -4.714 2.573 . . . 1.0 . . . . . . . . . . . . A . 12 HIS CE1 . . . . . . . . . rr_2mce 1
. 7 . 2070 . 1 1 12 HIS CG C -1.016 -4.624 0.800 . . . 1.0 . . . . . . . . . . . . A . 12 HIS CG . . . . . . . . . rr_2mce 1
. 7 . 2071 . 1 1 12 HIS H H -0.275 -1.575 0.361 . . . 1.0 . . . . . . . . . . . . A . 12 HIS H . . . . . . . . . rr_2mce 1
. 7 . 2072 . 1 1 12 HIS HA H 1.391 -3.696 1.301 . . . 1.0 . . . . . . . . . . . . A . 12 HIS HA . . . . . . . . . rr_2mce 1
. 7 . 2073 . 1 1 12 HIS HB2 H -0.647 -3.391 -0.897 . . . 1.0 . . . . . . . . . . . . A . 12 HIS HB2 . . . . . . . . . rr_2mce 1
. 7 . 2074 . 1 1 12 HIS HB3 H 0.366 -4.818 -0.808 . . . 1.0 . . . . . . . . . . . . A . 12 HIS HB3 . . . . . . . . . rr_2mce 1
. 7 . 2075 . 1 1 12 HIS HD1 H -1.324 -2.955 2.085 . . . 1.0 . . . . . . . . . . . . A . 12 HIS HD1 . . . . . . . . . rr_2mce 1
. 7 . 2076 . 1 1 12 HIS HD2 H -1.349 -6.702 0.200 . . . 1.0 . . . . . . . . . . . . A . 12 HIS HD2 . . . . . . . . . rr_2mce 1
. 7 . 2077 . 1 1 12 HIS HE1 H -2.857 -4.446 3.477 . . . 1.0 . . . . . . . . . . . . A . 12 HIS HE1 . . . . . . . . . rr_2mce 1
. 7 . 2078 . 1 1 12 HIS N N 0.552 -1.885 0.829 . . . 1.0 . . . . . . . . . . . . A . 12 HIS N . . . . . . . . . rr_2mce 1
. 7 . 2079 . 1 1 12 HIS ND1 N -1.521 -3.912 1.873 . . . 1.0 . . . . . . . . . . . . A . 12 HIS ND1 . . . . . . . . . rr_2mce 1
. 7 . 2080 . 1 1 12 HIS NE2 N -2.320 -5.933 1.963 . . . 1.0 . . . . . . . . . . . . A . 12 HIS NE2 . . . . . . . . . rr_2mce 1
. 7 . 2081 . 1 1 12 HIS O O 3.038 -3.904 -0.729 . . . 1.0 . . . . . . . . . . . . A . 12 HIS O . . . . . . . . . rr_2mce 1
. 7 . 2082 . 1 1 13 LYS C C 4.708 -1.446 -1.283 . . . 1.0 . . . . . . . . . . . . A . 13 LYS C . . . . . . . . . rr_2mce 1
. 7 . 2083 . 1 1 13 LYS CA C 3.380 -1.480 -2.043 . . . 1.0 . . . . . . . . . . . . A . 13 LYS CA . . . . . . . . . rr_2mce 1
. 7 . 2084 . 1 1 13 LYS CB C 3.069 -0.184 -2.796 . . . 1.0 . . . . . . . . . . . . A . 13 LYS CB . . . . . . . . . rr_2mce 1
. 7 . 2085 . 1 1 13 LYS CD C 1.394 0.836 -4.382 . . . 1.0 . . . . . . . . . . . . A . 13 LYS CD . . . . . . . . . rr_2mce 1
. 7 . 2086 . 1 1 13 LYS CE C 0.325 0.543 -5.436 . . . 1.0 . . . . . . . . . . . . A . 13 LYS CE . . . . . . . . . rr_2mce 1
. 7 . 2087 . 1 1 13 LYS CG C 2.123 -0.445 -3.969 . . . 1.0 . . . . . . . . . . . . A . 13 LYS CG . . . . . . . . . rr_2mce 1
. 7 . 2088 . 1 1 13 LYS H H 1.647 -1.064 -0.964 . . . 1.0 . . . . . . . . . . . . A . 13 LYS H . . . . . . . . . rr_2mce 1
. 7 . 2089 . 1 1 13 LYS HA H 3.425 -2.279 -2.783 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HA . . . . . . . . . rr_2mce 1
. 7 . 2090 . 1 1 13 LYS HB2 H 2.620 0.539 -2.115 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HB2 . . . . . . . . . rr_2mce 1
. 7 . 2091 . 1 1 13 LYS HB3 H 3.996 0.259 -3.163 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HB3 . . . . . . . . . rr_2mce 1
. 7 . 2092 . 1 1 13 LYS HD2 H 0.933 1.293 -3.508 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HD2 . . . . . . . . . rr_2mce 1
. 7 . 2093 . 1 1 13 LYS HD3 H 2.112 1.555 -4.776 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HD3 . . . . . . . . . rr_2mce 1
. 7 . 2094 . 1 1 13 LYS HE2 H 0.757 -0.043 -6.247 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HE2 . . . . . . . . . rr_2mce 1
. 7 . 2095 . 1 1 13 LYS HE3 H -0.471 -0.058 -4.998 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HE3 . . . . . . . . . rr_2mce 1
. 7 . 2096 . 1 1 13 LYS HG2 H 2.687 -0.836 -4.816 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HG2 . . . . . . . . . rr_2mce 1
. 7 . 2097 . 1 1 13 LYS HG3 H 1.397 -1.208 -3.692 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HG3 . . . . . . . . . rr_2mce 1
. 7 . 2098 . 1 1 13 LYS HZ1 H 0.370 2.222 -6.671 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HZ1 . . . . . . . . . rr_2mce 1
. 7 . 2099 . 1 1 13 LYS HZ3 H -0.366 2.500 -5.245 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HZ3 . . . . . . . . . rr_2mce 1
. 7 . 2100 . 1 1 13 LYS N N 2.306 -1.801 -1.120 . . . 1.0 . . . . . . . . . . . . A . 13 LYS N . . . . . . . . . rr_2mce 1
. 7 . 2101 . 1 1 13 LYS NZ N -0.234 1.804 -5.971 . . . 1.0 . . . . . . . . . . . . A . 13 LYS NZ . . . . . . . . . rr_2mce 1
. 7 . 2102 . 1 1 13 LYS O O 5.770 -1.629 -1.875 . . . 1.0 . . . . . . . . . . . . A . 13 LYS O . . . . . . . . . rr_2mce 1
. 7 . 2103 . 1 1 14 THR C C 6.328 -2.556 1.117 . . . 1.0 . . . . . . . . . . . . A . 14 THR C . . . . . . . . . rr_2mce 1
. 7 . 2104 . 1 1 14 THR CA C 5.782 -1.150 0.863 . . . 1.0 . . . . . . . . . . . . A . 14 THR CA . . . . . . . . . rr_2mce 1
. 7 . 2105 . 1 1 14 THR CB C 5.407 -0.402 2.144 . . . 1.0 . . . . . . . . . . . . A . 14 THR CB . . . . . . . . . rr_2mce 1
. 7 . 2106 . 1 1 14 THR CG2 C 6.495 -0.494 3.216 . . . 1.0 . . . . . . . . . . . . A . 14 THR CG2 . . . . . . . . . rr_2mce 1
. 7 . 2107 . 1 1 14 THR H H 3.735 -1.062 0.490 . . . 1.0 . . . . . . . . . . . . A . 14 THR H . . . . . . . . . rr_2mce 1
. 7 . 2108 . 1 1 14 THR HA H 6.558 -0.597 0.333 . . . 1.0 . . . . . . . . . . . . A . 14 THR HA . . . . . . . . . rr_2mce 1
. 7 . 2109 . 1 1 14 THR HB H 4.449 -0.750 2.531 . . . 1.0 . . . . . . . . . . . . A . 14 THR HB . . . . . . . . . rr_2mce 1
. 7 . 2110 . 1 1 14 THR HG1 H 5.335 1.552 2.569 . . . 1.0 . . . . . . . . . . . . A . 14 THR HG1 . . . . . . . . . rr_2mce 1
. 7 . 2111 . 1 1 14 THR HG21 H 7.379 0.052 2.884 . . . 1.0 . . . . . . . . . . . . A . 14 THR HG21 . . . . . . . . . rr_2mce 1
. 7 . 2112 . 1 1 14 THR HG22 H 6.127 -0.058 4.145 . . . 1.0 . . . . . . . . . . . . A . 14 THR HG22 . . . . . . . . . rr_2mce 1
. 7 . 2113 . 1 1 14 THR HG23 H 6.755 -1.539 3.382 . . . 1.0 . . . . . . . . . . . . A . 14 THR HG23 . . . . . . . . . rr_2mce 1
. 7 . 2114 . 1 1 14 THR N N 4.603 -1.210 0.016 . . . 1.0 . . . . . . . . . . . . A . 14 THR N . . . . . . . . . rr_2mce 1
. 7 . 2115 . 1 1 14 THR O O 7.509 -2.723 1.419 . . . 1.0 . . . . . . . . . . . . A . 14 THR O . . . . . . . . . rr_2mce 1
. 7 . 2116 . 1 1 14 THR OG1 O 5.412 0.969 1.760 . . . 1.0 . . . . . . . . . . . . A . 14 THR OG1 . . . . . . . . . rr_2mce 1
. 7 . 2117 . 1 1 15 ASP C C 6.629 -5.412 -0.001 . . . 1.0 . . . . . . . . . . . . A . 15 ASP C . . . . . . . . . rr_2mce 1
. 7 . 2118 . 1 1 15 ASP CA C 5.820 -4.919 1.201 . . . 1.0 . . . . . . . . . . . . A . 15 ASP CA . . . . . . . . . rr_2mce 1
. 7 . 2119 . 1 1 15 ASP CB C 4.585 -5.812 1.337 . . . 1.0 . . . . . . . . . . . . A . 15 ASP CB . . . . . . . . . rr_2mce 1
. 7 . 2120 . 1 1 15 ASP CG C 3.907 -5.772 2.708 . . . 1.0 . . . . . . . . . . . . A . 15 ASP CG . . . . . . . . . rr_2mce 1
. 7 . 2121 . 1 1 15 ASP H H 4.483 -3.389 0.743 . . . 1.0 . . . . . . . . . . . . A . 15 ASP H . . . . . . . . . rr_2mce 1
. 7 . 2122 . 1 1 15 ASP HA H 6.400 -4.921 2.123 . . . 1.0 . . . . . . . . . . . . A . 15 ASP HA . . . . . . . . . rr_2mce 1
. 7 . 2123 . 1 1 15 ASP HB2 H 3.857 -5.520 0.580 . . . 1.0 . . . . . . . . . . . . A . 15 ASP HB2 . . . . . . . . . rr_2mce 1
. 7 . 2124 . 1 1 15 ASP HB3 H 4.873 -6.842 1.121 . . . 1.0 . . . . . . . . . . . . A . 15 ASP HB3 . . . . . . . . . rr_2mce 1
. 7 . 2125 . 1 1 15 ASP HD2 H 4.299 -6.473 4.411 . . . 1.0 . . . . . . . . . . . . A . 15 ASP HD2 . . . . . . . . . rr_2mce 1
. 7 . 2126 . 1 1 15 ASP N N 5.441 -3.533 0.988 . . . 1.0 . . . . . . . . . . . . A . 15 ASP N . . . . . . . . . rr_2mce 1
. 7 . 2127 . 1 1 15 ASP O O 7.462 -6.308 0.132 . . . 1.0 . . . . . . . . . . . . A . 15 ASP O . . . . . . . . . rr_2mce 1
. 7 . 2128 . 1 1 15 ASP OD1 O 3.175 -4.824 3.032 . . . 1.0 . . . . . . . . . . . . A . 15 ASP OD1 . . . . . . . . . rr_2mce 1
. 7 . 2129 . 1 1 15 ASP OD2 O 4.158 -6.782 3.470 . . . 1.0 . . . . . . . . . . . . A . 15 ASP OD2 . . . . . . . . . rr_2mce 1
. 7 . 2130 . 1 1 16 SER C C 8.469 -4.609 -2.357 . . . 1.0 . . . . . . . . . . . . A . 16 SER C . . . . . . . . . rr_2mce 1
. 7 . 2131 . 1 1 16 SER CA C 7.047 -5.174 -2.371 . . . 1.0 . . . . . . . . . . . . A . 16 SER CA . . . . . . . . . rr_2mce 1
. 7 . 2132 . 1 1 16 SER CB C 6.290 -4.675 -3.603 . . . 1.0 . . . . . . . . . . . . A . 16 SER CB . . . . . . . . . rr_2mce 1
. 7 . 2133 . 1 1 16 SER H H 5.676 -4.080 -1.248 . . . 1.0 . . . . . . . . . . . . A . 16 SER H . . . . . . . . . rr_2mce 1
. 7 . 2134 . 1 1 16 SER HA H 7.069 -6.264 -2.376 . . . 1.0 . . . . . . . . . . . . A . 16 SER HA . . . . . . . . . rr_2mce 1
. 7 . 2135 . 1 1 16 SER HB2 H 5.221 -4.832 -3.459 . . . 1.0 . . . . . . . . . . . . A . 16 SER HB2 . . . . . . . . . rr_2mce 1
. 7 . 2136 . 1 1 16 SER HB3 H 6.442 -3.601 -3.711 . . . 1.0 . . . . . . . . . . . . A . 16 SER HB3 . . . . . . . . . rr_2mce 1
. 7 . 2137 . 1 1 16 SER HG H 6.360 -6.272 -4.806 . . . 1.0 . . . . . . . . . . . . A . 16 SER HG . . . . . . . . . rr_2mce 1
. 7 . 2138 . 1 1 16 SER N N 6.355 -4.807 -1.148 . . . 1.0 . . . . . . . . . . . . A . 16 SER N . . . . . . . . . rr_2mce 1
. 7 . 2139 . 1 1 16 SER O O 9.345 -5.109 -3.062 . . . 1.0 . . . . . . . . . . . . A . 16 SER O . . . . . . . . . rr_2mce 1
. 7 . 2140 . 1 1 16 SER OG O 6.711 -5.336 -4.793 . . . 1.0 . . . . . . . . . . . . A . 16 SER OG . . . . . . . . . rr_2mce 1
. 7 . 2141 . 1 1 17 PHE C C 10.916 -3.799 -0.608 . . . 1.0 . . . . . . . . . . . . A . 17 PHE C . . . . . . . . . rr_2mce 1
. 7 . 2142 . 1 1 17 PHE CA C 9.955 -2.940 -1.432 . . . 1.0 . . . . . . . . . . . . A . 17 PHE CA . . . . . . . . . rr_2mce 1
. 7 . 2143 . 1 1 17 PHE CB C 9.738 -1.607 -0.714 . . . 1.0 . . . . . . . . . . . . A . 17 PHE CB . . . . . . . . . rr_2mce 1
. 7 . 2144 . 1 1 17 PHE CD1 C 10.122 -0.188 -2.741 . . . 1.0 . . . . . . . . . . . . A . 17 PHE CD1 . . . . . . . . . rr_2mce 1
. 7 . 2145 . 1 1 17 PHE CD2 C 11.183 0.439 -0.734 . . . 1.0 . . . . . . . . . . . . A . 17 PHE CD2 . . . . . . . . . rr_2mce 1
. 7 . 2146 . 1 1 17 PHE CE1 C 10.710 0.924 -3.399 . . . 1.0 . . . . . . . . . . . . A . 17 PHE CE1 . . . . . . . . . rr_2mce 1
. 7 . 2147 . 1 1 17 PHE CE2 C 11.771 1.551 -1.392 . . . 1.0 . . . . . . . . . . . . A . 17 PHE CE2 . . . . . . . . . rr_2mce 1
. 7 . 2148 . 1 1 17 PHE CG C 10.371 -0.408 -1.422 . . . 1.0 . . . . . . . . . . . . A . 17 PHE CG . . . . . . . . . rr_2mce 1
. 7 . 2149 . 1 1 17 PHE CZ C 11.522 1.771 -2.710 . . . 1.0 . . . . . . . . . . . . A . 17 PHE CZ . . . . . . . . . rr_2mce 1
. 7 . 2150 . 1 1 17 PHE H H 7.936 -3.179 -0.977 . . . 1.0 . . . . . . . . . . . . A . 17 PHE H . . . . . . . . . rr_2mce 1
. 7 . 2151 . 1 1 17 PHE HA H 10.349 -2.824 -2.442 . . . 1.0 . . . . . . . . . . . . A . 17 PHE HA . . . . . . . . . rr_2mce 1
. 7 . 2152 . 1 1 17 PHE HB2 H 8.667 -1.431 -0.611 . . . 1.0 . . . . . . . . . . . . A . 17 PHE HB2 . . . . . . . . . rr_2mce 1
. 7 . 2153 . 1 1 17 PHE HB3 H 10.147 -1.678 0.294 . . . 1.0 . . . . . . . . . . . . A . 17 PHE HB3 . . . . . . . . . rr_2mce 1
. 7 . 2154 . 1 1 17 PHE HD1 H 9.471 -0.867 -3.294 . . . 1.0 . . . . . . . . . . . . A . 17 PHE HD1 . . . . . . . . . rr_2mce 1
. 7 . 2155 . 1 1 17 PHE HD2 H 11.382 0.262 0.324 . . . 1.0 . . . . . . . . . . . . A . 17 PHE HD2 . . . . . . . . . rr_2mce 1
. 7 . 2156 . 1 1 17 PHE HE1 H 10.510 1.100 -4.456 . . . 1.0 . . . . . . . . . . . . A . 17 PHE HE1 . . . . . . . . . rr_2mce 1
. 7 . 2157 . 1 1 17 PHE HE2 H 12.421 2.230 -0.839 . . . 1.0 . . . . . . . . . . . . A . 17 PHE HE2 . . . . . . . . . rr_2mce 1
. 7 . 2158 . 1 1 17 PHE HZ H 11.973 2.625 -3.214 . . . 1.0 . . . . . . . . . . . . A . 17 PHE HZ . . . . . . . . . rr_2mce 1
. 7 . 2159 . 1 1 17 PHE N N 8.654 -3.578 -1.548 . . . 1.0 . . . . . . . . . . . . A . 17 PHE N . . . . . . . . . rr_2mce 1
. 7 . 2160 . 1 1 17 PHE O O 12.133 -3.671 -0.733 . . . 1.0 . . . . . . . . . . . . A . 17 PHE O . . . . . . . . . rr_2mce 1
. 7 . 2161 . 1 1 18 VAL C C 11.857 -6.553 0.186 . . . 1.0 . . . . . . . . . . . . A . 18 VAL C . . . . . . . . . rr_2mce 1
. 7 . 2162 . 1 1 18 VAL CA C 11.122 -5.536 1.062 . . . 1.0 . . . . . . . . . . . . A . 18 VAL CA . . . . . . . . . rr_2mce 1
. 7 . 2163 . 1 1 18 VAL CB C 10.226 -6.192 2.116 . . . 1.0 . . . . . . . . . . . . A . 18 VAL CB . . . . . . . . . rr_2mce 1
. 7 . 2164 . 1 1 18 VAL CG1 C 11.055 -7.020 3.101 . . . 1.0 . . . . . . . . . . . . A . 18 VAL CG1 . . . . . . . . . rr_2mce 1
. 7 . 2165 . 1 1 18 VAL CG2 C 9.387 -5.145 2.849 . . . 1.0 . . . . . . . . . . . . A . 18 VAL CG2 . . . . . . . . . rr_2mce 1
. 7 . 2166 . 1 1 18 VAL H H 9.342 -4.754 0.314 . . . 1.0 . . . . . . . . . . . . A . 18 VAL H . . . . . . . . . rr_2mce 1
. 7 . 2167 . 1 1 18 VAL HA H 11.858 -4.922 1.580 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HA . . . . . . . . . rr_2mce 1
. 7 . 2168 . 1 1 18 VAL HB H 9.544 -6.869 1.601 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HB . . . . . . . . . rr_2mce 1
. 7 . 2169 . 1 1 18 VAL HG11 H 12.102 -6.723 3.034 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HG11 . . . . . . . . . rr_2mce 1
. 7 . 2170 . 1 1 18 VAL HG12 H 10.693 -6.847 4.114 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HG12 . . . . . . . . . rr_2mce 1
. 7 . 2171 . 1 1 18 VAL HG13 H 10.961 -8.078 2.856 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HG13 . . . . . . . . . rr_2mce 1
. 7 . 2172 . 1 1 18 VAL HG21 H 9.247 -4.276 2.207 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HG21 . . . . . . . . . rr_2mce 1
. 7 . 2173 . 1 1 18 VAL HG22 H 8.416 -5.571 3.102 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HG22 . . . . . . . . . rr_2mce 1
. 7 . 2174 . 1 1 18 VAL HG23 H 9.900 -4.843 3.763 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HG23 . . . . . . . . . rr_2mce 1
. 7 . 2175 . 1 1 18 VAL N N 10.333 -4.657 0.217 . . . 1.0 . . . . . . . . . . . . A . 18 VAL N . . . . . . . . . rr_2mce 1
. 7 . 2176 . 1 1 18 VAL O O 12.950 -6.999 0.531 . . . 1.0 . . . . . . . . . . . . A . 18 VAL O . . . . . . . . . rr_2mce 1
. 7 . 2177 . 1 1 19 GLY C C 12.789 -7.159 -2.810 . . . 1.0 . . . . . . . . . . . . A . 19 GLY C . . . . . . . . . rr_2mce 1
. 7 . 2178 . 1 1 19 GLY CA C 11.808 -7.845 -1.858 . . . 1.0 . . . . . . . . . . . . A . 19 GLY CA . . . . . . . . . rr_2mce 1
. 7 . 2179 . 1 1 19 GLY H H 10.338 -6.522 -1.203 . . . 1.0 . . . . . . . . . . . . A . 19 GLY H . . . . . . . . . rr_2mce 1
. 7 . 2180 . 1 1 19 GLY HA2 H 12.322 -8.630 -1.303 . . . 1.0 . . . . . . . . . . . . A . 19 GLY HA2 . . . . . . . . . rr_2mce 1
. 7 . 2181 . 1 1 19 GLY HA3 H 11.016 -8.328 -2.431 . . . 1.0 . . . . . . . . . . . . A . 19 GLY HA3 . . . . . . . . . rr_2mce 1
. 7 . 2182 . 1 1 19 GLY N N 11.227 -6.890 -0.930 . . . 1.0 . . . . . . . . . . . . A . 19 GLY N . . . . . . . . . rr_2mce 1
. 7 . 2183 . 1 1 19 GLY O O 13.398 -7.811 -3.656 . . . 1.0 . . . . . . . . . . . . A . 19 GLY O . . . . . . . . . rr_2mce 1
. 7 . 2184 . 1 1 20 LEU C C 15.190 -5.018 -2.820 . . . 1.0 . . . . . . . . . . . . A . 20 LEU C . . . . . . . . . rr_2mce 1
. 7 . 2185 . 1 1 20 LEU CA C 13.808 -5.068 -3.473 . . . 1.0 . . . . . . . . . . . . A . 20 LEU CA . . . . . . . . . rr_2mce 1
. 7 . 2186 . 1 1 20 LEU CB C 13.210 -3.688 -3.755 . . . 1.0 . . . . . . . . . . . . A . 20 LEU CB . . . . . . . . . rr_2mce 1
. 7 . 2187 . 1 1 20 LEU CD1 C 14.446 -3.293 -5.917 . . . 1.0 . . . . . . . . . . . . A . 20 LEU CD1 . . . . . . . . . rr_2mce 1
. 7 . 2188 . 1 1 20 LEU CD2 C 12.082 -4.211 -5.949 . . . 1.0 . . . . . . . . . . . . A . 20 LEU CD2 . . . . . . . . . rr_2mce 1
. 7 . 2189 . 1 1 20 LEU CG C 13.080 -3.301 -5.230 . . . 1.0 . . . . . . . . . . . . A . 20 LEU CG . . . . . . . . . rr_2mce 1
. 7 . 2190 . 1 1 20 LEU H H 12.412 -5.327 -1.949 . . . 1.0 . . . . . . . . . . . . A . 20 LEU H . . . . . . . . . rr_2mce 1
. 7 . 2191 . 1 1 20 LEU HA H 13.896 -5.581 -4.431 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HA . . . . . . . . . rr_2mce 1
. 7 . 2192 . 1 1 20 LEU HB2 H 12.222 -3.642 -3.299 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HB2 . . . . . . . . . rr_2mce 1
. 7 . 2193 . 1 1 20 LEU HB3 H 13.825 -2.939 -3.257 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HB3 . . . . . . . . . rr_2mce 1
. 7 . 2194 . 1 1 20 LEU HD11 H 14.838 -4.309 -5.960 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HD11 . . . . . . . . . rr_2mce 1
. 7 . 2195 . 1 1 20 LEU HD12 H 14.342 -2.901 -6.929 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HD12 . . . . . . . . . rr_2mce 1
. 7 . 2196 . 1 1 20 LEU HD13 H 15.134 -2.663 -5.352 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HD13 . . . . . . . . . rr_2mce 1
. 7 . 2197 . 1 1 20 LEU HD21 H 11.130 -3.692 -6.056 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HD21 . . . . . . . . . rr_2mce 1
. 7 . 2198 . 1 1 20 LEU HD22 H 12.469 -4.467 -6.934 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HD22 . . . . . . . . . rr_2mce 1
. 7 . 2199 . 1 1 20 LEU HD23 H 11.936 -5.122 -5.367 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HD23 . . . . . . . . . rr_2mce 1
. 7 . 2200 . 1 1 20 LEU HG H 12.686 -2.286 -5.283 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HG . . . . . . . . . rr_2mce 1
. 7 . 2201 . 1 1 20 LEU N N 12.911 -5.850 -2.640 . . . 1.0 . . . . . . . . . . . . A . 20 LEU N . . . . . . . . . rr_2mce 1
. 7 . 2202 . 1 1 20 LEU O O 16.194 -4.803 -3.498 . . . 1.0 . . . . . . . . . . . . A . 20 LEU O . . . . . . . . . rr_2mce 1
. 7 . 2203 . 1 1 21 MET C C 17.302 -6.420 -1.089 . . . 1.0 . . . . . . . . . . . . A . 21 MET C . . . . . . . . . rr_2mce 1
. 7 . 2204 . 1 1 21 MET CA C 16.442 -5.199 -0.759 . . . 1.0 . . . . . . . . . . . . A . 21 MET CA . . . . . . . . . rr_2mce 1
. 7 . 2205 . 1 1 21 MET CB C 16.132 -5.183 0.740 . . . 1.0 . . . . . . . . . . . . A . 21 MET CB . . . . . . . . . rr_2mce 1
. 7 . 2206 . 1 1 21 MET CE C 16.362 -3.438 3.778 . . . 1.0 . . . . . . . . . . . . A . 21 MET CE . . . . . . . . . rr_2mce 1
. 7 . 2207 . 1 1 21 MET CG C 15.607 -3.815 1.176 . . . 1.0 . . . . . . . . . . . . A . 21 MET CG . . . . . . . . . rr_2mce 1
. 7 . 2208 . 1 1 21 MET H H 14.378 -5.393 -0.967 . . . 1.0 . . . . . . . . . . . . A . 21 MET H . . . . . . . . . rr_2mce 1
. 7 . 2209 . 1 1 21 MET HA H 16.956 -4.290 -1.067 . . . 1.0 . . . . . . . . . . . . A . 21 MET HA . . . . . . . . . rr_2mce 1
. 7 . 2210 . 1 1 21 MET HB2 H 15.392 -5.951 0.970 . . . 1.0 . . . . . . . . . . . . A . 21 MET HB2 . . . . . . . . . rr_2mce 1
. 7 . 2211 . 1 1 21 MET HB3 H 17.032 -5.429 1.304 . . . 1.0 . . . . . . . . . . . . A . 21 MET HB3 . . . . . . . . . rr_2mce 1
. 7 . 2212 . 1 1 21 MET HE1 H 15.387 -3.924 3.741 . . . 1.0 . . . . . . . . . . . . A . 21 MET HE1 . . . . . . . . . rr_2mce 1
. 7 . 2213 . 1 1 21 MET HE2 H 17.097 -4.130 4.189 . . . 1.0 . . . . . . . . . . . . A . 21 MET HE2 . . . . . . . . . rr_2mce 1
. 7 . 2214 . 1 1 21 MET HE3 H 16.304 -2.552 4.411 . . . 1.0 . . . . . . . . . . . . A . 21 MET HE3 . . . . . . . . . rr_2mce 1
. 7 . 2215 . 1 1 21 MET HG2 H 15.338 -3.222 0.302 . . . 1.0 . . . . . . . . . . . . A . 21 MET HG2 . . . . . . . . . rr_2mce 1
. 7 . 2216 . 1 1 21 MET HG3 H 14.701 -3.935 1.771 . . . 1.0 . . . . . . . . . . . . A . 21 MET HG3 . . . . . . . . . rr_2mce 1
. 7 . 2217 . 1 1 21 MET N N 15.198 -5.219 -1.511 . . . 1.0 . . . . . . . . . . . . A . 21 MET N . . . . . . . . . rr_2mce 1
. 7 . 2218 . 1 1 21 MET O O 18.496 -6.289 -1.356 . . . 1.0 . . . . . . . . . . . . A . 21 MET O . . . . . . . . . rr_2mce 1
. 7 . 2219 . 1 1 21 MET SD S 16.851 -2.960 2.130 . . . 1.0 . . . . . . . . . . . . A . 21 MET SD . . . . . . . . . rr_2mce 1
. 8 . 2220 . 1 1 1 ASP C C -14.510 7.799 2.699 . . . 1.0 . . . . . . . . . . . . A . 1 ASP C . . . . . . . . . rr_2mce 1
. 8 . 2221 . 1 1 1 ASP CA C -14.527 9.328 2.668 . . . 1.0 . . . . . . . . . . . . A . 1 ASP CA . . . . . . . . . rr_2mce 1
. 8 . 2222 . 1 1 1 ASP CB C -13.103 9.823 2.931 . . . 1.0 . . . . . . . . . . . . A . 1 ASP CB . . . . . . . . . rr_2mce 1
. 8 . 2223 . 1 1 1 ASP CG C -12.987 11.311 3.265 . . . 1.0 . . . . . . . . . . . . A . 1 ASP CG . . . . . . . . . rr_2mce 1
. 8 . 2224 . 1 1 1 ASP H1 H -16.120 10.482 3.354 . . . 1.0 . . . . . . . . . . . . A . 1 ASP H1 . . . . . . . . . rr_2mce 1
. 8 . 2225 . 1 1 1 ASP HA H -14.905 9.722 1.724 . . . 1.0 . . . . . . . . . . . . A . 1 ASP HA . . . . . . . . . rr_2mce 1
. 8 . 2226 . 1 1 1 ASP HB2 H -12.681 9.247 3.755 . . . 1.0 . . . . . . . . . . . . A . 1 ASP HB2 . . . . . . . . . rr_2mce 1
. 8 . 2227 . 1 1 1 ASP HB3 H -12.494 9.616 2.051 . . . 1.0 . . . . . . . . . . . . A . 1 ASP HB3 . . . . . . . . . rr_2mce 1
. 8 . 2228 . 1 1 1 ASP HD2 H -13.105 11.874 1.472 . . . 1.0 . . . . . . . . . . . . A . 1 ASP HD2 . . . . . . . . . rr_2mce 1
. 8 . 2229 . 1 1 1 ASP N N -15.447 9.819 3.680 . . . 1.0 . . . . . . . . . . . . A . 1 ASP N . . . . . . . . . rr_2mce 1
. 8 . 2230 . 1 1 1 ASP O O -13.968 7.200 3.628 . . . 1.0 . . . . . . . . . . . . A . 1 ASP O . . . . . . . . . rr_2mce 1
. 8 . 2231 . 1 1 1 ASP OD1 O -12.465 11.689 4.325 . . . 1.0 . . . . . . . . . . . . A . 1 ASP OD1 . . . . . . . . . rr_2mce 1
. 8 . 2232 . 1 1 1 ASP OD2 O -13.468 12.110 2.373 . . . 1.0 . . . . . . . . . . . . A . 1 ASP OD2 . . . . . . . . . rr_2mce 1
. 8 . 2233 . 1 1 2 ALA C C -13.941 5.258 0.810 . . . 1.0 . . . . . . . . . . . . A . 2 ALA C . . . . . . . . . rr_2mce 1
. 8 . 2234 . 1 1 2 ALA CA C -15.167 5.763 1.573 . . . 1.0 . . . . . . . . . . . . A . 2 ALA CA . . . . . . . . . rr_2mce 1
. 8 . 2235 . 1 1 2 ALA CB C -16.480 5.351 0.903 . . . 1.0 . . . . . . . . . . . . A . 2 ALA CB . . . . . . . . . rr_2mce 1
. 8 . 2236 . 1 1 2 ALA H H -15.545 7.705 0.923 . . . 1.0 . . . . . . . . . . . . A . 2 ALA H . . . . . . . . . rr_2mce 1
. 8 . 2237 . 1 1 2 ALA HA H -15.147 5.358 2.584 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HA . . . . . . . . . rr_2mce 1
. 8 . 2238 . 1 1 2 ALA HB1 H -16.265 4.852 -0.042 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HB1 . . . . . . . . . rr_2mce 1
. 8 . 2239 . 1 1 2 ALA HB2 H -17.024 4.670 1.558 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HB2 . . . . . . . . . rr_2mce 1
. 8 . 2240 . 1 1 2 ALA HB3 H -17.086 6.237 0.716 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HB3 . . . . . . . . . rr_2mce 1
. 8 . 2241 . 1 1 2 ALA N N -15.108 7.211 1.674 . . . 1.0 . . . . . . . . . . . . A . 2 ALA N . . . . . . . . . rr_2mce 1
. 8 . 2242 . 1 1 2 ALA O O -13.371 4.224 1.156 . . . 1.0 . . . . . . . . . . . . A . 2 ALA O . . . . . . . . . rr_2mce 1
. 8 . 2243 . 1 1 3 GLY C C -11.113 5.897 -0.272 . . . 1.0 . . . . . . . . . . . . A . 3 GLY C . . . . . . . . . rr_2mce 1
. 8 . 2244 . 1 1 3 GLY CA C -12.420 5.654 -1.030 . . . 1.0 . . . . . . . . . . . . A . 3 GLY CA . . . . . . . . . rr_2mce 1
. 8 . 2245 . 1 1 3 GLY H H -14.037 6.852 -0.490 . . . 1.0 . . . . . . . . . . . . A . 3 GLY H . . . . . . . . . rr_2mce 1
. 8 . 2246 . 1 1 3 GLY HA2 H -12.487 4.605 -1.319 . . . 1.0 . . . . . . . . . . . . A . 3 GLY HA2 . . . . . . . . . rr_2mce 1
. 8 . 2247 . 1 1 3 GLY HA3 H -12.426 6.239 -1.950 . . . 1.0 . . . . . . . . . . . . A . 3 GLY HA3 . . . . . . . . . rr_2mce 1
. 8 . 2248 . 1 1 3 GLY N N -13.569 6.012 -0.215 . . . 1.0 . . . . . . . . . . . . A . 3 GLY N . . . . . . . . . rr_2mce 1
. 8 . 2249 . 1 1 3 GLY O O -10.032 5.625 -0.789 . . . 1.0 . . . . . . . . . . . . A . 3 GLY O . . . . . . . . . rr_2mce 1
. 8 . 2250 . 1 1 4 HIS C C -9.394 5.380 2.133 . . . 1.0 . . . . . . . . . . . . A . 4 HIS C . . . . . . . . . rr_2mce 1
. 8 . 2251 . 1 1 4 HIS CA C -10.101 6.688 1.778 . . . 1.0 . . . . . . . . . . . . A . 4 HIS CA . . . . . . . . . rr_2mce 1
. 8 . 2252 . 1 1 4 HIS CB C -10.507 7.498 3.011 . . . 1.0 . . . . . . . . . . . . A . 4 HIS CB . . . . . . . . . rr_2mce 1
. 8 . 2253 . 1 1 4 HIS CD2 C -8.293 8.886 2.965 . . . 1.0 . . . . . . . . . . . . A . 4 HIS CD2 . . . . . . . . . rr_2mce 1
. 8 . 2254 . 1 1 4 HIS CE1 C -8.295 9.545 5.051 . . . 1.0 . . . . . . . . . . . . A . 4 HIS CE1 . . . . . . . . . rr_2mce 1
. 8 . 2255 . 1 1 4 HIS CG C -9.405 8.370 3.563 . . . 1.0 . . . . . . . . . . . . A . 4 HIS CG . . . . . . . . . rr_2mce 1
. 8 . 2256 . 1 1 4 HIS H H -12.141 6.624 1.356 . . . 1.0 . . . . . . . . . . . . A . 4 HIS H . . . . . . . . . rr_2mce 1
. 8 . 2257 . 1 1 4 HIS HA H -9.429 7.305 1.182 . . . 1.0 . . . . . . . . . . . . A . 4 HIS HA . . . . . . . . . rr_2mce 1
. 8 . 2258 . 1 1 4 HIS HB2 H -11.361 8.125 2.756 . . . 1.0 . . . . . . . . . . . . A . 4 HIS HB2 . . . . . . . . . rr_2mce 1
. 8 . 2259 . 1 1 4 HIS HB3 H -10.837 6.811 3.791 . . . 1.0 . . . . . . . . . . . . A . 4 HIS HB3 . . . . . . . . . rr_2mce 1
. 8 . 2260 . 1 1 4 HIS HD1 H -10.061 8.591 5.576 . . . 1.0 . . . . . . . . . . . . A . 4 HIS HD1 . . . . . . . . . rr_2mce 1
. 8 . 2261 . 1 1 4 HIS HD2 H -8.003 8.739 1.924 . . . 1.0 . . . . . . . . . . . . A . 4 HIS HD2 . . . . . . . . . rr_2mce 1
. 8 . 2262 . 1 1 4 HIS HE1 H -7.991 10.030 5.979 . . . 1.0 . . . . . . . . . . . . A . 4 HIS HE1 . . . . . . . . . rr_2mce 1
. 8 . 2263 . 1 1 4 HIS N N -11.257 6.406 0.943 . . . 1.0 . . . . . . . . . . . . A . 4 HIS N . . . . . . . . . rr_2mce 1
. 8 . 2264 . 1 1 4 HIS ND1 N -9.378 8.803 4.876 . . . 1.0 . . . . . . . . . . . . A . 4 HIS ND1 . . . . . . . . . rr_2mce 1
. 8 . 2265 . 1 1 4 HIS NE2 N -7.623 9.596 3.864 . . . 1.0 . . . . . . . . . . . . A . 4 HIS NE2 . . . . . . . . . rr_2mce 1
. 8 . 2266 . 1 1 4 HIS O O -8.216 5.384 2.488 . . . 1.0 . . . . . . . . . . . . A . 4 HIS O . . . . . . . . . rr_2mce 1
. 8 . 2267 . 1 1 5 GLY C C -8.654 2.504 1.227 . . . 1.0 . . . . . . . . . . . . A . 5 GLY C . . . . . . . . . rr_2mce 1
. 8 . 2268 . 1 1 5 GLY CA C -9.600 2.977 2.332 . . . 1.0 . . . . . . . . . . . . A . 5 GLY CA . . . . . . . . . rr_2mce 1
. 8 . 2269 . 1 1 5 GLY H H -11.098 4.297 1.736 . . . 1.0 . . . . . . . . . . . . A . 5 GLY H . . . . . . . . . rr_2mce 1
. 8 . 2270 . 1 1 5 GLY HA2 H -9.068 3.013 3.283 . . . 1.0 . . . . . . . . . . . . A . 5 GLY HA2 . . . . . . . . . rr_2mce 1
. 8 . 2271 . 1 1 5 GLY HA3 H -10.415 2.263 2.450 . . . 1.0 . . . . . . . . . . . . A . 5 GLY HA3 . . . . . . . . . rr_2mce 1
. 8 . 2272 . 1 1 5 GLY N N -10.141 4.291 2.026 . . . 1.0 . . . . . . . . . . . . A . 5 GLY N . . . . . . . . . rr_2mce 1
. 8 . 2273 . 1 1 5 GLY O O -7.859 1.589 1.436 . . . 1.0 . . . . . . . . . . . . A . 5 GLY O . . . . . . . . . rr_2mce 1
. 8 . 2274 . 1 1 6 GLN C C -6.512 3.328 -0.854 . . . 1.0 . . . . . . . . . . . . A . 6 GLN C . . . . . . . . . rr_2mce 1
. 8 . 2275 . 1 1 6 GLN CA C -7.935 2.805 -1.062 . . . 1.0 . . . . . . . . . . . . A . 6 GLN CA . . . . . . . . . rr_2mce 1
. 8 . 2276 . 1 1 6 GLN CB C -8.532 3.344 -2.364 . . . 1.0 . . . . . . . . . . . . A . 6 GLN CB . . . . . . . . . rr_2mce 1
. 8 . 2277 . 1 1 6 GLN CD C -9.266 1.311 -3.666 . . . 1.0 . . . . . . . . . . . . A . 6 GLN CD . . . . . . . . . rr_2mce 1
. 8 . 2278 . 1 1 6 GLN CG C -9.725 2.496 -2.812 . . . 1.0 . . . . . . . . . . . . A . 6 GLN CG . . . . . . . . . rr_2mce 1
. 8 . 2279 . 1 1 6 GLN H H -9.419 3.892 -0.086 . . . 1.0 . . . . . . . . . . . . A . 6 GLN H . . . . . . . . . rr_2mce 1
. 8 . 2280 . 1 1 6 GLN HA H -7.927 1.715 -1.097 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HA . . . . . . . . . rr_2mce 1
. 8 . 2281 . 1 1 6 GLN HB2 H -8.849 4.377 -2.223 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HB2 . . . . . . . . . rr_2mce 1
. 8 . 2282 . 1 1 6 GLN HB3 H -7.770 3.347 -3.144 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HB3 . . . . . . . . . rr_2mce 1
. 8 . 2283 . 1 1 6 GLN HE21 H -9.050 0.232 -1.967 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HE21 . . . . . . . . . rr_2mce 1
. 8 . 2284 . 1 1 6 GLN HE22 H -8.656 -0.604 -3.432 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HE22 . . . . . . . . . rr_2mce 1
. 8 . 2285 . 1 1 6 GLN HG2 H -10.265 2.132 -1.939 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HG2 . . . . . . . . . rr_2mce 1
. 8 . 2286 . 1 1 6 GLN HG3 H -10.419 3.112 -3.383 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HG3 . . . . . . . . . rr_2mce 1
. 8 . 2287 . 1 1 6 GLN N N -8.770 3.149 0.075 . . . 1.0 . . . . . . . . . . . . A . 6 GLN N . . . . . . . . . rr_2mce 1
. 8 . 2288 . 1 1 6 GLN NE2 N -8.965 0.223 -2.963 . . . 1.0 . . . . . . . . . . . . A . 6 GLN NE2 . . . . . . . . . rr_2mce 1
. 8 . 2289 . 1 1 6 GLN O O -5.566 2.817 -1.451 . . . 1.0 . . . . . . . . . . . . A . 6 GLN O . . . . . . . . . rr_2mce 1
. 8 . 2290 . 1 1 6 GLN OE1 O -9.190 1.382 -4.881 . . . 1.0 . . . . . . . . . . . . A . 6 GLN OE1 . . . . . . . . . rr_2mce 1
. 8 . 2291 . 1 1 7 ILE C C -4.257 3.932 1.059 . . . 1.0 . . . . . . . . . . . . A . 7 ILE C . . . . . . . . . rr_2mce 1
. 8 . 2292 . 1 1 7 ILE CA C -5.115 4.937 0.289 . . . 1.0 . . . . . . . . . . . . A . 7 ILE CA . . . . . . . . . rr_2mce 1
. 8 . 2293 . 1 1 7 ILE CB C -5.296 6.273 1.013 . . . 1.0 . . . . . . . . . . . . A . 7 ILE CB . . . . . . . . . rr_2mce 1
. 8 . 2294 . 1 1 7 ILE CD1 C -5.144 7.801 -0.988 . . . 1.0 . . . . . . . . . . . . A . 7 ILE CD1 . . . . . . . . . rr_2mce 1
. 8 . 2295 . 1 1 7 ILE CG1 C -6.045 7.277 0.133 . . . 1.0 . . . . . . . . . . . . A . 7 ILE CG1 . . . . . . . . . rr_2mce 1
. 8 . 2296 . 1 1 7 ILE CG2 C -3.951 6.823 1.494 . . . 1.0 . . . . . . . . . . . . A . 7 ILE CG2 . . . . . . . . . rr_2mce 1
. 8 . 2297 . 1 1 7 ILE H H -7.181 4.749 0.477 . . . 1.0 . . . . . . . . . . . . A . 7 ILE H . . . . . . . . . rr_2mce 1
. 8 . 2298 . 1 1 7 ILE HA H -4.629 5.149 -0.663 . . . 1.0 . . . . . . . . . . . . A . 7 ILE HA . . . . . . . . . rr_2mce 1
. 8 . 2299 . 1 1 7 ILE HB H -5.909 6.102 1.898 . . . 1.0 . . . . . . . . . . . . A . 7 ILE HB . . . . . . . . . rr_2mce 1
. 8 . 2300 . 1 1 7 ILE HD11 H -4.313 7.111 -1.139 . . . 1.0 . . . . . . . . . . . . A . 7 ILE HD11 . . . . . . . . . rr_2mce 1
. 8 . 2301 . 1 1 7 ILE HD12 H -5.721 7.882 -1.909 . . . 1.0 . . . . . . . . . . . . A . 7 ILE HD12 . . . . . . . . . rr_2mce 1
. 8 . 2302 . 1 1 7 ILE HD13 H -4.756 8.782 -0.714 . . . 1.0 . . . . . . . . . . . . A . 7 ILE HD13 . . . . . . . . . rr_2mce 1
. 8 . 2303 . 1 1 7 ILE HG12 H -6.926 6.801 -0.297 . . . 1.0 . . . . . . . . . . . . A . 7 ILE HG12 . . . . . . . . . rr_2mce 1
. 8 . 2304 . 1 1 7 ILE HG13 H -6.394 8.110 0.743 . . . 1.0 . . . . . . . . . . . . A . 7 ILE HG13 . . . . . . . . . rr_2mce 1
. 8 . 2305 . 1 1 7 ILE HG21 H -3.380 6.023 1.966 . . . 1.0 . . . . . . . . . . . . A . 7 ILE HG21 . . . . . . . . . rr_2mce 1
. 8 . 2306 . 1 1 7 ILE HG22 H -3.393 7.213 0.642 . . . 1.0 . . . . . . . . . . . . A . 7 ILE HG22 . . . . . . . . . rr_2mce 1
. 8 . 2307 . 1 1 7 ILE HG23 H -4.122 7.622 2.214 . . . 1.0 . . . . . . . . . . . . A . 7 ILE HG23 . . . . . . . . . rr_2mce 1
. 8 . 2308 . 1 1 7 ILE N N -6.407 4.339 -0.005 . . . 1.0 . . . . . . . . . . . . A . 7 ILE N . . . . . . . . . rr_2mce 1
. 8 . 2309 . 1 1 7 ILE O O -3.030 4.030 1.060 . . . 1.0 . . . . . . . . . . . . A . 7 ILE O . . . . . . . . . rr_2mce 1
. 8 . 2310 . 1 1 8 SER C C -3.822 0.817 1.552 . . . 1.0 . . . . . . . . . . . . A . 8 SER C . . . . . . . . . rr_2mce 1
. 8 . 2311 . 1 1 8 SER CA C -4.249 1.966 2.468 . . . 1.0 . . . . . . . . . . . . A . 8 SER CA . . . . . . . . . rr_2mce 1
. 8 . 2312 . 1 1 8 SER CB C -5.137 1.441 3.599 . . . 1.0 . . . . . . . . . . . . A . 8 SER CB . . . . . . . . . rr_2mce 1
. 8 . 2313 . 1 1 8 SER H H -5.932 2.916 1.691 . . . 1.0 . . . . . . . . . . . . A . 8 SER H . . . . . . . . . rr_2mce 1
. 8 . 2314 . 1 1 8 SER HA H -3.376 2.462 2.892 . . . 1.0 . . . . . . . . . . . . A . 8 SER HA . . . . . . . . . rr_2mce 1
. 8 . 2315 . 1 1 8 SER HB2 H -6.040 2.048 3.662 . . . 1.0 . . . . . . . . . . . . A . 8 SER HB2 . . . . . . . . . rr_2mce 1
. 8 . 2316 . 1 1 8 SER HB3 H -5.452 0.423 3.370 . . . 1.0 . . . . . . . . . . . . A . 8 SER HB3 . . . . . . . . . rr_2mce 1
. 8 . 2317 . 1 1 8 SER HG H -3.525 1.137 4.746 . . . 1.0 . . . . . . . . . . . . A . 8 SER HG . . . . . . . . . rr_2mce 1
. 8 . 2318 . 1 1 8 SER N N -4.935 2.989 1.696 . . . 1.0 . . . . . . . . . . . . A . 8 SER N . . . . . . . . . rr_2mce 1
. 8 . 2319 . 1 1 8 SER O O -3.075 -0.068 1.968 . . . 1.0 . . . . . . . . . . . . A . 8 SER O . . . . . . . . . rr_2mce 1
. 8 . 2320 . 1 1 8 SER OG O -4.465 1.458 4.856 . . . 1.0 . . . . . . . . . . . . A . 8 SER OG . . . . . . . . . rr_2mce 1
. 8 . 2321 . 1 1 9 HIS C C -2.667 0.185 -1.341 . . . 1.0 . . . . . . . . . . . . A . 9 HIS C . . . . . . . . . rr_2mce 1
. 8 . 2322 . 1 1 9 HIS CA C -3.992 -0.157 -0.654 . . . 1.0 . . . . . . . . . . . . A . 9 HIS CA . . . . . . . . . rr_2mce 1
. 8 . 2323 . 1 1 9 HIS CB C -5.142 -0.342 -1.647 . . . 1.0 . . . . . . . . . . . . A . 9 HIS CB . . . . . . . . . rr_2mce 1
. 8 . 2324 . 1 1 9 HIS CD2 C -4.539 -0.605 -4.177 . . . 1.0 . . . . . . . . . . . . A . 9 HIS CD2 . . . . . . . . . rr_2mce 1
. 8 . 2325 . 1 1 9 HIS CE1 C -4.212 -2.768 -4.195 . . . 1.0 . . . . . . . . . . . . A . 9 HIS CE1 . . . . . . . . . rr_2mce 1
. 8 . 2326 . 1 1 9 HIS CG C -4.751 -1.069 -2.911 . . . 1.0 . . . . . . . . . . . . A . 9 HIS CG . . . . . . . . . rr_2mce 1
. 8 . 2327 . 1 1 9 HIS H H -4.920 1.592 -0.007 . . . 1.0 . . . . . . . . . . . . A . 9 HIS H . . . . . . . . . rr_2mce 1
. 8 . 2328 . 1 1 9 HIS HA H -3.875 -1.090 -0.103 . . . 1.0 . . . . . . . . . . . . A . 9 HIS HA . . . . . . . . . rr_2mce 1
. 8 . 2329 . 1 1 9 HIS HB2 H -5.945 -0.892 -1.157 . . . 1.0 . . . . . . . . . . . . A . 9 HIS HB2 . . . . . . . . . rr_2mce 1
. 8 . 2330 . 1 1 9 HIS HB3 H -5.541 0.637 -1.911 . . . 1.0 . . . . . . . . . . . . A . 9 HIS HB3 . . . . . . . . . rr_2mce 1
. 8 . 2331 . 1 1 9 HIS HD1 H -4.618 -3.064 -2.183 . . . 1.0 . . . . . . . . . . . . A . 9 HIS HD1 . . . . . . . . . rr_2mce 1
. 8 . 2332 . 1 1 9 HIS HD2 H -4.623 0.433 -4.496 . . . 1.0 . . . . . . . . . . . . A . 9 HIS HD2 . . . . . . . . . rr_2mce 1
. 8 . 2333 . 1 1 9 HIS HE1 H -3.984 -3.773 -4.550 . . . 1.0 . . . . . . . . . . . . A . 9 HIS HE1 . . . . . . . . . rr_2mce 1
. 8 . 2334 . 1 1 9 HIS N N -4.313 0.868 0.323 . . . 1.0 . . . . . . . . . . . . A . 9 HIS N . . . . . . . . . rr_2mce 1
. 8 . 2335 . 1 1 9 HIS ND1 N -4.539 -2.436 -2.956 . . . 1.0 . . . . . . . . . . . . A . 9 HIS ND1 . . . . . . . . . rr_2mce 1
. 8 . 2336 . 1 1 9 HIS NE2 N -4.212 -1.633 -4.950 . . . 1.0 . . . . . . . . . . . . A . 9 HIS NE2 . . . . . . . . . rr_2mce 1
. 8 . 2337 . 1 1 9 HIS O O -2.132 -0.620 -2.101 . . . 1.0 . . . . . . . . . . . . A . 9 HIS O . . . . . . . . . rr_2mce 1
. 8 . 2338 . 1 1 10 LYS C C 0.242 1.321 -0.780 . . . 1.0 . . . . . . . . . . . . A . 10 LYS C . . . . . . . . . rr_2mce 1
. 8 . 2339 . 1 1 10 LYS CA C -0.925 1.838 -1.625 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CA . . . . . . . . . rr_2mce 1
. 8 . 2340 . 1 1 10 LYS CB C -0.936 3.359 -1.791 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CB . . . . . . . . . rr_2mce 1
. 8 . 2341 . 1 1 10 LYS CD C 0.968 4.383 -0.493 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CD . . . . . . . . . rr_2mce 1
. 8 . 2342 . 1 1 10 LYS CE C 1.218 5.807 -0.992 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CE . . . . . . . . . rr_2mce 1
. 8 . 2343 . 1 1 10 LYS CG C -0.526 4.056 -0.491 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CG . . . . . . . . . rr_2mce 1
. 8 . 2344 . 1 1 10 LYS H H -2.618 2.028 -0.426 . . . 1.0 . . . . . . . . . . . . A . 10 LYS H . . . . . . . . . rr_2mce 1
. 8 . 2345 . 1 1 10 LYS HA H -0.848 1.406 -2.622 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HA . . . . . . . . . rr_2mce 1
. 8 . 2346 . 1 1 10 LYS HB2 H -0.256 3.647 -2.592 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HB2 . . . . . . . . . rr_2mce 1
. 8 . 2347 . 1 1 10 LYS HB3 H -1.933 3.688 -2.085 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HB3 . . . . . . . . . rr_2mce 1
. 8 . 2348 . 1 1 10 LYS HD2 H 1.369 4.270 0.514 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HD2 . . . . . . . . . rr_2mce 1
. 8 . 2349 . 1 1 10 LYS HD3 H 1.499 3.673 -1.128 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HD3 . . . . . . . . . rr_2mce 1
. 8 . 2350 . 1 1 10 LYS HE2 H 1.379 5.798 -2.070 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HE2 . . . . . . . . . rr_2mce 1
. 8 . 2351 . 1 1 10 LYS HE3 H 0.339 6.423 -0.806 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HE3 . . . . . . . . . rr_2mce 1
. 8 . 2352 . 1 1 10 LYS HG2 H -1.103 4.973 -0.369 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HG2 . . . . . . . . . rr_2mce 1
. 8 . 2353 . 1 1 10 LYS HG3 H -0.762 3.415 0.358 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HG3 . . . . . . . . . rr_2mce 1
. 8 . 2354 . 1 1 10 LYS HZ1 H 3.267 6.059 -0.708 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HZ1 . . . . . . . . . rr_2mce 1
. 8 . 2355 . 1 1 10 LYS HZ3 H 2.415 6.171 0.675 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HZ3 . . . . . . . . . rr_2mce 1
. 8 . 2356 . 1 1 10 LYS N N -2.176 1.380 -1.046 . . . 1.0 . . . . . . . . . . . . A . 10 LYS N . . . . . . . . . rr_2mce 1
. 8 . 2357 . 1 1 10 LYS NZ N 2.396 6.395 -0.314 . . . 1.0 . . . . . . . . . . . . A . 10 LYS NZ . . . . . . . . . rr_2mce 1
. 8 . 2358 . 1 1 10 LYS O O 1.385 1.318 -1.232 . . . 1.0 . . . . . . . . . . . . A . 10 LYS O . . . . . . . . . rr_2mce 1
. 8 . 2359 . 1 1 11 ARG C C 1.306 -1.049 0.948 . . . 1.0 . . . . . . . . . . . . A . 11 ARG C . . . . . . . . . rr_2mce 1
. 8 . 2360 . 1 1 11 ARG CA C 0.917 0.377 1.341 . . . 1.0 . . . . . . . . . . . . A . 11 ARG CA . . . . . . . . . rr_2mce 1
. 8 . 2361 . 1 1 11 ARG CB C 0.408 0.379 2.783 . . . 1.0 . . . . . . . . . . . . A . 11 ARG CB . . . . . . . . . rr_2mce 1
. 8 . 2362 . 1 1 11 ARG CD C -0.062 -1.861 3.842 . . . 1.0 . . . . . . . . . . . . A . 11 ARG CD . . . . . . . . . rr_2mce 1
. 8 . 2363 . 1 1 11 ARG CG C -0.635 -0.719 2.999 . . . 1.0 . . . . . . . . . . . . A . 11 ARG CG . . . . . . . . . rr_2mce 1
. 8 . 2364 . 1 1 11 ARG CZ C -1.269 -1.179 5.924 . . . 1.0 . . . . . . . . . . . . A . 11 ARG CZ . . . . . . . . . rr_2mce 1
. 8 . 2365 . 1 1 11 ARG H H -1.021 0.901 0.789 . . . 1.0 . . . . . . . . . . . . A . 11 ARG H . . . . . . . . . rr_2mce 1
. 8 . 2366 . 1 1 11 ARG HA H 1.763 1.056 1.238 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HA . . . . . . . . . rr_2mce 1
. 8 . 2367 . 1 1 11 ARG HB2 H 1.243 0.232 3.469 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HB2 . . . . . . . . . rr_2mce 1
. 8 . 2368 . 1 1 11 ARG HB3 H -0.029 1.351 3.018 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HB3 . . . . . . . . . rr_2mce 1
. 8 . 2369 . 1 1 11 ARG HD2 H 0.023 -2.763 3.237 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HD2 . . . . . . . . . rr_2mce 1
. 8 . 2370 . 1 1 11 ARG HD3 H 0.943 -1.607 4.178 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HD3 . . . . . . . . . rr_2mce 1
. 8 . 2371 . 1 1 11 ARG HE H -1.302 -3.038 5.128 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HE . . . . . . . . . rr_2mce 1
. 8 . 2372 . 1 1 11 ARG HG2 H -1.511 -0.302 3.493 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HG2 . . . . . . . . . rr_2mce 1
. 8 . 2373 . 1 1 11 ARG HG3 H -0.965 -1.106 2.035 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HG3 . . . . . . . . . rr_2mce 1
. 8 . 2374 . 1 1 11 ARG HH11 H -0.206 0.330 5.051 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HH11 . . . . . . . . . rr_2mce 1
. 8 . 2375 . 1 1 11 ARG HH12 H -1.054 0.770 6.496 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HH12 . . . . . . . . . rr_2mce 1
. 8 . 2376 . 1 1 11 ARG HH22 H -2.350 -0.886 7.646 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HH22 . . . . . . . . . rr_2mce 1
. 8 . 2377 . 1 1 11 ARG N N -0.089 0.896 0.430 . . . 1.0 . . . . . . . . . . . . A . 11 ARG N . . . . . . . . . rr_2mce 1
. 8 . 2378 . 1 1 11 ARG NE N -0.936 -2.116 5.009 . . . 1.0 . . . . . . . . . . . . A . 11 ARG NE . . . . . . . . . rr_2mce 1
. 8 . 2379 . 1 1 11 ARG NH1 N -0.803 0.083 5.813 . . . 1.0 . . . . . . . . . . . . A . 11 ARG NH1 . . . . . . . . . rr_2mce 1
. 8 . 2380 . 1 1 11 ARG NH2 N -2.056 -1.518 6.928 . . . 1.0 . . . . . . . . . . . . A . 11 ARG NH2 . . . . . . . . . rr_2mce 1
. 8 . 2381 . 1 1 11 ARG O O 2.265 -1.605 1.480 . . . 1.0 . . . . . . . . . . . . A . 11 ARG O . . . . . . . . . rr_2mce 1
. 8 . 2382 . 1 1 12 HIS C C 2.001 -2.953 -1.390 . . . 1.0 . . . . . . . . . . . . A . 12 HIS C . . . . . . . . . rr_2mce 1
. 8 . 2383 . 1 1 12 HIS CA C 0.792 -2.953 -0.454 . . . 1.0 . . . . . . . . . . . . A . 12 HIS CA . . . . . . . . . rr_2mce 1
. 8 . 2384 . 1 1 12 HIS CB C -0.462 -3.545 -1.102 . . . 1.0 . . . . . . . . . . . . A . 12 HIS CB . . . . . . . . . rr_2mce 1
. 8 . 2385 . 1 1 12 HIS CD2 C -0.705 -4.232 -3.613 . . . 1.0 . . . . . . . . . . . . A . 12 HIS CD2 . . . . . . . . . rr_2mce 1
. 8 . 2386 . 1 1 12 HIS CE1 C -0.532 -2.239 -4.499 . . . 1.0 . . . . . . . . . . . . A . 12 HIS CE1 . . . . . . . . . rr_2mce 1
. 8 . 2387 . 1 1 12 HIS CG C -0.535 -3.338 -2.596 . . . 1.0 . . . . . . . . . . . . A . 12 HIS CG . . . . . . . . . rr_2mce 1
. 8 . 2388 . 1 1 12 HIS H H -0.239 -1.143 -0.410 . . . 1.0 . . . . . . . . . . . . A . 12 HIS H . . . . . . . . . rr_2mce 1
. 8 . 2389 . 1 1 12 HIS HA H 1.025 -3.553 0.426 . . . 1.0 . . . . . . . . . . . . A . 12 HIS HA . . . . . . . . . rr_2mce 1
. 8 . 2390 . 1 1 12 HIS HB2 H -0.497 -4.613 -0.892 . . . 1.0 . . . . . . . . . . . . A . 12 HIS HB2 . . . . . . . . . rr_2mce 1
. 8 . 2391 . 1 1 12 HIS HB3 H -1.342 -3.098 -0.640 . . . 1.0 . . . . . . . . . . . . A . 12 HIS HB3 . . . . . . . . . rr_2mce 1
. 8 . 2392 . 1 1 12 HIS HD1 H -0.296 -1.224 -2.704 . . . 1.0 . . . . . . . . . . . . A . 12 HIS HD1 . . . . . . . . . rr_2mce 1
. 8 . 2393 . 1 1 12 HIS HD2 H -0.823 -5.309 -3.500 . . . 1.0 . . . . . . . . . . . . A . 12 HIS HD2 . . . . . . . . . rr_2mce 1
. 8 . 2394 . 1 1 12 HIS HE1 H -0.487 -1.440 -5.239 . . . 1.0 . . . . . . . . . . . . A . 12 HIS HE1 . . . . . . . . . rr_2mce 1
. 8 . 2395 . 1 1 12 HIS N N 0.540 -1.602 0.018 . . . 1.0 . . . . . . . . . . . . A . 12 HIS N . . . . . . . . . rr_2mce 1
. 8 . 2396 . 1 1 12 HIS ND1 N -0.428 -2.090 -3.186 . . . 1.0 . . . . . . . . . . . . A . 12 HIS ND1 . . . . . . . . . rr_2mce 1
. 8 . 2397 . 1 1 12 HIS NE2 N -0.704 -3.566 -4.761 . . . 1.0 . . . . . . . . . . . . A . 12 HIS NE2 . . . . . . . . . rr_2mce 1
. 8 . 2398 . 1 1 12 HIS O O 2.770 -3.912 -1.419 . . . 1.0 . . . . . . . . . . . . A . 12 HIS O . . . . . . . . . rr_2mce 1
. 8 . 2399 . 1 1 13 LYS C C 4.530 -1.490 -2.296 . . . 1.0 . . . . . . . . . . . . A . 13 LYS C . . . . . . . . . rr_2mce 1
. 8 . 2400 . 1 1 13 LYS CA C 3.233 -1.727 -3.072 . . . 1.0 . . . . . . . . . . . . A . 13 LYS CA . . . . . . . . . rr_2mce 1
. 8 . 2401 . 1 1 13 LYS CB C 2.928 -0.638 -4.104 . . . 1.0 . . . . . . . . . . . . A . 13 LYS CB . . . . . . . . . rr_2mce 1
. 8 . 2402 . 1 1 13 LYS CD C 3.542 1.806 -4.193 . . . 1.0 . . . . . . . . . . . . A . 13 LYS CD . . . . . . . . . rr_2mce 1
. 8 . 2403 . 1 1 13 LYS CE C 2.803 2.206 -5.472 . . . 1.0 . . . . . . . . . . . . A . 13 LYS CE . . . . . . . . . rr_2mce 1
. 8 . 2404 . 1 1 13 LYS CG C 2.771 0.726 -3.430 . . . 1.0 . . . . . . . . . . . . A . 13 LYS CG . . . . . . . . . rr_2mce 1
. 8 . 2405 . 1 1 13 LYS H H 1.502 -1.089 -2.108 . . . 1.0 . . . . . . . . . . . . A . 13 LYS H . . . . . . . . . rr_2mce 1
. 8 . 2406 . 1 1 13 LYS HA H 3.322 -2.668 -3.614 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HA . . . . . . . . . rr_2mce 1
. 8 . 2407 . 1 1 13 LYS HB2 H 3.729 -0.594 -4.841 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HB2 . . . . . . . . . rr_2mce 1
. 8 . 2408 . 1 1 13 LYS HB3 H 2.014 -0.889 -4.642 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HB3 . . . . . . . . . rr_2mce 1
. 8 . 2409 . 1 1 13 LYS HD2 H 3.676 2.681 -3.556 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HD2 . . . . . . . . . rr_2mce 1
. 8 . 2410 . 1 1 13 LYS HD3 H 4.537 1.439 -4.443 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HD3 . . . . . . . . . rr_2mce 1
. 8 . 2411 . 1 1 13 LYS HE2 H 2.977 1.461 -6.248 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HE2 . . . . . . . . . rr_2mce 1
. 8 . 2412 . 1 1 13 LYS HE3 H 1.729 2.230 -5.286 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HE3 . . . . . . . . . rr_2mce 1
. 8 . 2413 . 1 1 13 LYS HG2 H 1.716 0.994 -3.383 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HG2 . . . . . . . . . rr_2mce 1
. 8 . 2414 . 1 1 13 LYS HG3 H 3.133 0.674 -2.403 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HG3 . . . . . . . . . rr_2mce 1
. 8 . 2415 . 1 1 13 LYS HZ1 H 2.497 4.198 -6.005 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HZ1 . . . . . . . . . rr_2mce 1
. 8 . 2416 . 1 1 13 LYS HZ3 H 3.688 3.487 -6.858 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HZ3 . . . . . . . . . rr_2mce 1
. 8 . 2417 . 1 1 13 LYS N N 2.132 -1.865 -2.136 . . . 1.0 . . . . . . . . . . . . A . 13 LYS N . . . . . . . . . rr_2mce 1
. 8 . 2418 . 1 1 13 LYS NZ N 3.261 3.534 -5.940 . . . 1.0 . . . . . . . . . . . . A . 13 LYS NZ . . . . . . . . . rr_2mce 1
. 8 . 2419 . 1 1 13 LYS O O 5.613 -1.837 -2.766 . . . 1.0 . . . . . . . . . . . . A . 13 LYS O . . . . . . . . . rr_2mce 1
. 8 . 2420 . 1 1 14 THR C C 6.033 -1.898 0.389 . . . 1.0 . . . . . . . . . . . . A . 14 THR C . . . . . . . . . rr_2mce 1
. 8 . 2421 . 1 1 14 THR CA C 5.524 -0.616 -0.271 . . . 1.0 . . . . . . . . . . . . A . 14 THR CA . . . . . . . . . rr_2mce 1
. 8 . 2422 . 1 1 14 THR CB C 5.112 0.463 0.733 . . . 1.0 . . . . . . . . . . . . A . 14 THR CB . . . . . . . . . rr_2mce 1
. 8 . 2423 . 1 1 14 THR CG2 C 4.267 1.566 0.093 . . . 1.0 . . . . . . . . . . . . A . 14 THR CG2 . . . . . . . . . rr_2mce 1
. 8 . 2424 . 1 1 14 THR H H 3.495 -0.624 -0.742 . . . 1.0 . . . . . . . . . . . . A . 14 THR H . . . . . . . . . rr_2mce 1
. 8 . 2425 . 1 1 14 THR HA H 6.331 -0.239 -0.900 . . . 1.0 . . . . . . . . . . . . A . 14 THR HA . . . . . . . . . rr_2mce 1
. 8 . 2426 . 1 1 14 THR HB H 5.984 0.882 1.235 . . . 1.0 . . . . . . . . . . . . A . 14 THR HB . . . . . . . . . rr_2mce 1
. 8 . 2427 . 1 1 14 THR HG1 H 3.741 0.460 2.191 . . . 1.0 . . . . . . . . . . . . A . 14 THR HG1 . . . . . . . . . rr_2mce 1
. 8 . 2428 . 1 1 14 THR HG21 H 4.715 1.864 -0.855 . . . 1.0 . . . . . . . . . . . . A . 14 THR HG21 . . . . . . . . . rr_2mce 1
. 8 . 2429 . 1 1 14 THR HG22 H 3.258 1.195 -0.083 . . . 1.0 . . . . . . . . . . . . A . 14 THR HG22 . . . . . . . . . rr_2mce 1
. 8 . 2430 . 1 1 14 THR HG23 H 4.227 2.426 0.761 . . . 1.0 . . . . . . . . . . . . A . 14 THR HG23 . . . . . . . . . rr_2mce 1
. 8 . 2431 . 1 1 14 THR N N 4.378 -0.903 -1.117 . . . 1.0 . . . . . . . . . . . . A . 14 THR N . . . . . . . . . rr_2mce 1
. 8 . 2432 . 1 1 14 THR O O 7.203 -1.989 0.759 . . . 1.0 . . . . . . . . . . . . A . 14 THR O . . . . . . . . . rr_2mce 1
. 8 . 2433 . 1 1 14 THR OG1 O 4.206 -0.204 1.607 . . . 1.0 . . . . . . . . . . . . A . 14 THR OG1 . . . . . . . . . rr_2mce 1
. 8 . 2434 . 1 1 15 ASP C C 6.345 -4.936 0.163 . . . 1.0 . . . . . . . . . . . . A . 15 ASP C . . . . . . . . . rr_2mce 1
. 8 . 2435 . 1 1 15 ASP CA C 5.472 -4.132 1.129 . . . 1.0 . . . . . . . . . . . . A . 15 ASP CA . . . . . . . . . rr_2mce 1
. 8 . 2436 . 1 1 15 ASP CB C 4.217 -4.955 1.428 . . . 1.0 . . . . . . . . . . . . A . 15 ASP CB . . . . . . . . . rr_2mce 1
. 8 . 2437 . 1 1 15 ASP CG C 3.461 -4.544 2.693 . . . 1.0 . . . . . . . . . . . . A . 15 ASP CG . . . . . . . . . rr_2mce 1
. 8 . 2438 . 1 1 15 ASP H H 4.179 -2.776 0.217 . . . 1.0 . . . . . . . . . . . . A . 15 ASP H . . . . . . . . . rr_2mce 1
. 8 . 2439 . 1 1 15 ASP HA H 5.994 -3.876 2.050 . . . 1.0 . . . . . . . . . . . . A . 15 ASP HA . . . . . . . . . rr_2mce 1
. 8 . 2440 . 1 1 15 ASP HB2 H 3.540 -4.879 0.577 . . . 1.0 . . . . . . . . . . . . A . 15 ASP HB2 . . . . . . . . . rr_2mce 1
. 8 . 2441 . 1 1 15 ASP HB3 H 4.501 -6.003 1.517 . . . 1.0 . . . . . . . . . . . . A . 15 ASP HB3 . . . . . . . . . rr_2mce 1
. 8 . 2442 . 1 1 15 ASP HD2 H 3.863 -5.777 4.059 . . . 1.0 . . . . . . . . . . . . A . 15 ASP HD2 . . . . . . . . . rr_2mce 1
. 8 . 2443 . 1 1 15 ASP N N 5.128 -2.858 0.520 . . . 1.0 . . . . . . . . . . . . A . 15 ASP N . . . . . . . . . rr_2mce 1
. 8 . 2444 . 1 1 15 ASP O O 7.151 -5.761 0.591 . . . 1.0 . . . . . . . . . . . . A . 15 ASP O . . . . . . . . . rr_2mce 1
. 8 . 2445 . 1 1 15 ASP OD1 O 3.222 -3.352 2.936 . . . 1.0 . . . . . . . . . . . . A . 15 ASP OD1 . . . . . . . . . rr_2mce 1
. 8 . 2446 . 1 1 15 ASP OD2 O 3.106 -5.521 3.458 . . . 1.0 . . . . . . . . . . . . A . 15 ASP OD2 . . . . . . . . . rr_2mce 1
. 8 . 2447 . 1 1 16 SER C C 8.345 -4.810 -2.195 . . . 1.0 . . . . . . . . . . . . A . 16 SER C . . . . . . . . . rr_2mce 1
. 8 . 2448 . 1 1 16 SER CA C 6.916 -5.354 -2.149 . . . 1.0 . . . . . . . . . . . . A . 16 SER CA . . . . . . . . . rr_2mce 1
. 8 . 2449 . 1 1 16 SER CB C 6.248 -5.210 -3.517 . . . 1.0 . . . . . . . . . . . . A . 16 SER CB . . . . . . . . . rr_2mce 1
. 8 . 2450 . 1 1 16 SER H H 5.498 -3.994 -1.459 . . . 1.0 . . . . . . . . . . . . A . 16 SER H . . . . . . . . . rr_2mce 1
. 8 . 2451 . 1 1 16 SER HA H 6.916 -6.404 -1.855 . . . 1.0 . . . . . . . . . . . . A . 16 SER HA . . . . . . . . . rr_2mce 1
. 8 . 2452 . 1 1 16 SER HB2 H 5.166 -5.261 -3.399 . . . 1.0 . . . . . . . . . . . . A . 16 SER HB2 . . . . . . . . . rr_2mce 1
. 8 . 2453 . 1 1 16 SER HB3 H 6.478 -4.227 -3.930 . . . 1.0 . . . . . . . . . . . . A . 16 SER HB3 . . . . . . . . . rr_2mce 1
. 8 . 2454 . 1 1 16 SER HG H 5.916 -6.835 -4.636 . . . 1.0 . . . . . . . . . . . . A . 16 SER HG . . . . . . . . . rr_2mce 1
. 8 . 2455 . 1 1 16 SER N N 6.156 -4.667 -1.120 . . . 1.0 . . . . . . . . . . . . A . 16 SER N . . . . . . . . . rr_2mce 1
. 8 . 2456 . 1 1 16 SER O O 9.255 -5.483 -2.680 . . . 1.0 . . . . . . . . . . . . A . 16 SER O . . . . . . . . . rr_2mce 1
. 8 . 2457 . 1 1 16 SER OG O 6.675 -6.219 -4.429 . . . 1.0 . . . . . . . . . . . . A . 16 SER OG . . . . . . . . . rr_2mce 1
. 8 . 2458 . 1 1 17 PHE C C 10.695 -3.563 -0.577 . . . 1.0 . . . . . . . . . . . . A . 17 PHE C . . . . . . . . . rr_2mce 1
. 8 . 2459 . 1 1 17 PHE CA C 9.803 -2.956 -1.661 . . . 1.0 . . . . . . . . . . . . A . 17 PHE CA . . . . . . . . . rr_2mce 1
. 8 . 2460 . 1 1 17 PHE CB C 9.568 -1.477 -1.342 . . . 1.0 . . . . . . . . . . . . A . 17 PHE CB . . . . . . . . . rr_2mce 1
. 8 . 2461 . 1 1 17 PHE CD1 C 10.711 -0.176 -3.150 . . . 1.0 . . . . . . . . . . . . A . 17 PHE CD1 . . . . . . . . . rr_2mce 1
. 8 . 2462 . 1 1 17 PHE CD2 C 8.356 -0.161 -3.094 . . . 1.0 . . . . . . . . . . . . A . 17 PHE CD2 . . . . . . . . . rr_2mce 1
. 8 . 2463 . 1 1 17 PHE CE1 C 10.689 0.665 -4.294 . . . 1.0 . . . . . . . . . . . . A . 17 PHE CE1 . . . . . . . . . rr_2mce 1
. 8 . 2464 . 1 1 17 PHE CE2 C 8.334 0.680 -4.238 . . . 1.0 . . . . . . . . . . . . A . 17 PHE CE2 . . . . . . . . . rr_2mce 1
. 8 . 2465 . 1 1 17 PHE CG C 9.544 -0.572 -2.575 . . . 1.0 . . . . . . . . . . . . A . 17 PHE CG . . . . . . . . . rr_2mce 1
. 8 . 2466 . 1 1 17 PHE CZ C 9.500 1.075 -4.814 . . . 1.0 . . . . . . . . . . . . A . 17 PHE CZ . . . . . . . . . rr_2mce 1
. 8 . 2467 . 1 1 17 PHE H H 7.756 -3.058 -1.291 . . . 1.0 . . . . . . . . . . . . A . 17 PHE H . . . . . . . . . rr_2mce 1
. 8 . 2468 . 1 1 17 PHE HA H 10.260 -3.116 -2.637 . . . 1.0 . . . . . . . . . . . . A . 17 PHE HA . . . . . . . . . rr_2mce 1
. 8 . 2469 . 1 1 17 PHE HB2 H 8.620 -1.377 -0.812 . . . 1.0 . . . . . . . . . . . . A . 17 PHE HB2 . . . . . . . . . rr_2mce 1
. 8 . 2470 . 1 1 17 PHE HB3 H 10.350 -1.133 -0.666 . . . 1.0 . . . . . . . . . . . . A . 17 PHE HB3 . . . . . . . . . rr_2mce 1
. 8 . 2471 . 1 1 17 PHE HD1 H 11.663 -0.505 -2.733 . . . 1.0 . . . . . . . . . . . . A . 17 PHE HD1 . . . . . . . . . rr_2mce 1
. 8 . 2472 . 1 1 17 PHE HD2 H 7.421 -0.478 -2.633 . . . 1.0 . . . . . . . . . . . . A . 17 PHE HD2 . . . . . . . . . rr_2mce 1
. 8 . 2473 . 1 1 17 PHE HE1 H 11.624 0.983 -4.755 . . . 1.0 . . . . . . . . . . . . A . 17 PHE HE1 . . . . . . . . . rr_2mce 1
. 8 . 2474 . 1 1 17 PHE HE2 H 7.382 1.008 -4.655 . . . 1.0 . . . . . . . . . . . . A . 17 PHE HE2 . . . . . . . . . rr_2mce 1
. 8 . 2475 . 1 1 17 PHE HZ H 9.484 1.721 -5.692 . . . 1.0 . . . . . . . . . . . . A . 17 PHE HZ . . . . . . . . . rr_2mce 1
. 8 . 2476 . 1 1 17 PHE N N 8.500 -3.597 -1.683 . . . 1.0 . . . . . . . . . . . . A . 17 PHE N . . . . . . . . . rr_2mce 1
. 8 . 2477 . 1 1 17 PHE O O 11.920 -3.489 -0.661 . . . 1.0 . . . . . . . . . . . . A . 17 PHE O . . . . . . . . . rr_2mce 1
. 8 . 2478 . 1 1 18 VAL C C 11.404 -6.074 1.034 . . . 1.0 . . . . . . . . . . . . A . 18 VAL C . . . . . . . . . rr_2mce 1
. 8 . 2479 . 1 1 18 VAL CA C 10.765 -4.771 1.517 . . . 1.0 . . . . . . . . . . . . A . 18 VAL CA . . . . . . . . . rr_2mce 1
. 8 . 2480 . 1 1 18 VAL CB C 9.825 -4.974 2.709 . . . 1.0 . . . . . . . . . . . . A . 18 VAL CB . . . . . . . . . rr_2mce 1
. 8 . 2481 . 1 1 18 VAL CG1 C 10.589 -5.499 3.927 . . . 1.0 . . . . . . . . . . . . A . 18 VAL CG1 . . . . . . . . . rr_2mce 1
. 8 . 2482 . 1 1 18 VAL CG2 C 9.081 -3.680 3.045 . . . 1.0 . . . . . . . . . . . . A . 18 VAL CG2 . . . . . . . . . rr_2mce 1
. 8 . 2483 . 1 1 18 VAL H H 9.049 -4.207 0.479 . . . 1.0 . . . . . . . . . . . . A . 18 VAL H . . . . . . . . . rr_2mce 1
. 8 . 2484 . 1 1 18 VAL HA H 11.554 -4.084 1.824 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HA . . . . . . . . . rr_2mce 1
. 8 . 2485 . 1 1 18 VAL HB H 9.086 -5.724 2.429 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HB . . . . . . . . . rr_2mce 1
. 8 . 2486 . 1 1 18 VAL HG11 H 10.056 -6.350 4.349 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HG11 . . . . . . . . . rr_2mce 1
. 8 . 2487 . 1 1 18 VAL HG12 H 11.589 -5.810 3.622 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HG12 . . . . . . . . . rr_2mce 1
. 8 . 2488 . 1 1 18 VAL HG13 H 10.667 -4.710 4.675 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HG13 . . . . . . . . . rr_2mce 1
. 8 . 2489 . 1 1 18 VAL HG21 H 8.636 -3.270 2.139 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HG21 . . . . . . . . . rr_2mce 1
. 8 . 2490 . 1 1 18 VAL HG22 H 8.295 -3.892 3.770 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HG22 . . . . . . . . . rr_2mce 1
. 8 . 2491 . 1 1 18 VAL HG23 H 9.778 -2.958 3.467 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HG23 . . . . . . . . . rr_2mce 1
. 8 . 2492 . 1 1 18 VAL N N 10.046 -4.151 0.418 . . . 1.0 . . . . . . . . . . . . A . 18 VAL N . . . . . . . . . rr_2mce 1
. 8 . 2493 . 1 1 18 VAL O O 12.456 -6.475 1.529 . . . 1.0 . . . . . . . . . . . . A . 18 VAL O . . . . . . . . . rr_2mce 1
. 8 . 2494 . 1 1 19 GLY C C 12.264 -7.688 -1.589 . . . 1.0 . . . . . . . . . . . . A . 19 GLY C . . . . . . . . . rr_2mce 1
. 8 . 2495 . 1 1 19 GLY CA C 11.235 -7.947 -0.487 . . . 1.0 . . . . . . . . . . . . A . 19 GLY CA . . . . . . . . . rr_2mce 1
. 8 . 2496 . 1 1 19 GLY H H 9.889 -6.365 -0.329 . . . 1.0 . . . . . . . . . . . . A . 19 GLY H . . . . . . . . . rr_2mce 1
. 8 . 2497 . 1 1 19 GLY HA2 H 11.684 -8.549 0.301 . . . 1.0 . . . . . . . . . . . . A . 19 GLY HA2 . . . . . . . . . rr_2mce 1
. 8 . 2498 . 1 1 19 GLY HA3 H 10.401 -8.521 -0.892 . . . 1.0 . . . . . . . . . . . . A . 19 GLY HA3 . . . . . . . . . rr_2mce 1
. 8 . 2499 . 1 1 19 GLY N N 10.743 -6.698 0.070 . . . 1.0 . . . . . . . . . . . . A . 19 GLY N . . . . . . . . . rr_2mce 1
. 8 . 2500 . 1 1 19 GLY O O 12.811 -8.627 -2.165 . . . 1.0 . . . . . . . . . . . . A . 19 GLY O . . . . . . . . . rr_2mce 1
. 8 . 2501 . 1 1 20 LEU C C 14.838 -5.870 -2.240 . . . 1.0 . . . . . . . . . . . . A . 20 LEU C . . . . . . . . . rr_2mce 1
. 8 . 2502 . 1 1 20 LEU CA C 13.451 -6.016 -2.871 . . . 1.0 . . . . . . . . . . . . A . 20 LEU CA . . . . . . . . . rr_2mce 1
. 8 . 2503 . 1 1 20 LEU CB C 12.971 -4.758 -3.597 . . . 1.0 . . . . . . . . . . . . A . 20 LEU CB . . . . . . . . . rr_2mce 1
. 8 . 2504 . 1 1 20 LEU CD1 C 11.460 -5.668 -5.398 . . . 1.0 . . . . . . . . . . . . A . 20 LEU CD1 . . . . . . . . . rr_2mce 1
. 8 . 2505 . 1 1 20 LEU CD2 C 12.766 -3.529 -5.790 . . . 1.0 . . . . . . . . . . . . A . 20 LEU CD2 . . . . . . . . . rr_2mce 1
. 8 . 2506 . 1 1 20 LEU CG C 12.748 -4.897 -5.104 . . . 1.0 . . . . . . . . . . . . A . 20 LEU CG . . . . . . . . . rr_2mce 1
. 8 . 2507 . 1 1 20 LEU H H 12.048 -5.652 -1.375 . . . 1.0 . . . . . . . . . . . . A . 20 LEU H . . . . . . . . . rr_2mce 1
. 8 . 2508 . 1 1 20 LEU HA H 13.491 -6.818 -3.608 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HA . . . . . . . . . rr_2mce 1
. 8 . 2509 . 1 1 20 LEU HB2 H 12.036 -4.433 -3.139 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HB2 . . . . . . . . . rr_2mce 1
. 8 . 2510 . 1 1 20 LEU HB3 H 13.699 -3.965 -3.429 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HB3 . . . . . . . . . rr_2mce 1
. 8 . 2511 . 1 1 20 LEU HD11 H 11.696 -6.720 -5.560 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HD11 . . . . . . . . . rr_2mce 1
. 8 . 2512 . 1 1 20 LEU HD12 H 10.779 -5.574 -4.554 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HD12 . . . . . . . . . rr_2mce 1
. 8 . 2513 . 1 1 20 LEU HD13 H 10.988 -5.260 -6.292 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HD13 . . . . . . . . . rr_2mce 1
. 8 . 2514 . 1 1 20 LEU HD21 H 12.089 -3.542 -6.644 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HD21 . . . . . . . . . rr_2mce 1
. 8 . 2515 . 1 1 20 LEU HD22 H 12.443 -2.764 -5.082 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HD22 . . . . . . . . . rr_2mce 1
. 8 . 2516 . 1 1 20 LEU HD23 H 13.777 -3.307 -6.130 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HD23 . . . . . . . . . rr_2mce 1
. 8 . 2517 . 1 1 20 LEU HG H 13.573 -5.475 -5.520 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HG . . . . . . . . . rr_2mce 1
. 8 . 2518 . 1 1 20 LEU N N 12.497 -6.410 -1.849 . . . 1.0 . . . . . . . . . . . . A . 20 LEU N . . . . . . . . . rr_2mce 1
. 8 . 2519 . 1 1 20 LEU O O 15.852 -5.976 -2.928 . . . 1.0 . . . . . . . . . . . . A . 20 LEU O . . . . . . . . . rr_2mce 1
. 8 . 2520 . 1 1 21 MET C C 16.829 -6.797 -0.094 . . . 1.0 . . . . . . . . . . . . A . 21 MET C . . . . . . . . . rr_2mce 1
. 8 . 2521 . 1 1 21 MET CA C 16.082 -5.467 -0.205 . . . 1.0 . . . . . . . . . . . . A . 21 MET CA . . . . . . . . . rr_2mce 1
. 8 . 2522 . 1 1 21 MET CB C 15.784 -4.930 1.196 . . . 1.0 . . . . . . . . . . . . A . 21 MET CB . . . . . . . . . rr_2mce 1
. 8 . 2523 . 1 1 21 MET CE C 14.558 -1.548 2.754 . . . 1.0 . . . . . . . . . . . . A . 21 MET CE . . . . . . . . . rr_2mce 1
. 8 . 2524 . 1 1 21 MET CG C 15.865 -3.402 1.226 . . . 1.0 . . . . . . . . . . . . A . 21 MET CG . . . . . . . . . rr_2mce 1
. 8 . 2525 . 1 1 21 MET H H 14.008 -5.544 -0.384 . . . 1.0 . . . . . . . . . . . . A . 21 MET H . . . . . . . . . rr_2mce 1
. 8 . 2526 . 1 1 21 MET HA H 16.672 -4.758 -0.785 . . . 1.0 . . . . . . . . . . . . A . 21 MET HA . . . . . . . . . rr_2mce 1
. 8 . 2527 . 1 1 21 MET HB2 H 14.790 -5.251 1.509 . . . 1.0 . . . . . . . . . . . . A . 21 MET HB2 . . . . . . . . . rr_2mce 1
. 8 . 2528 . 1 1 21 MET HB3 H 16.494 -5.349 1.908 . . . 1.0 . . . . . . . . . . . . A . 21 MET HB3 . . . . . . . . . rr_2mce 1
. 8 . 2529 . 1 1 21 MET HE1 H 15.305 -1.966 3.430 . . . 1.0 . . . . . . . . . . . . A . 21 MET HE1 . . . . . . . . . rr_2mce 1
. 8 . 2530 . 1 1 21 MET HE2 H 14.933 -0.615 2.333 . . . 1.0 . . . . . . . . . . . . A . 21 MET HE2 . . . . . . . . . rr_2mce 1
. 8 . 2531 . 1 1 21 MET HE3 H 13.638 -1.354 3.303 . . . 1.0 . . . . . . . . . . . . A . 21 MET HE3 . . . . . . . . . rr_2mce 1
. 8 . 2532 . 1 1 21 MET HG2 H 16.514 -3.079 2.040 . . . 1.0 . . . . . . . . . . . . A . 21 MET HG2 . . . . . . . . . rr_2mce 1
. 8 . 2533 . 1 1 21 MET HG3 H 16.309 -3.035 0.300 . . . 1.0 . . . . . . . . . . . . A . 21 MET HG3 . . . . . . . . . rr_2mce 1
. 8 . 2534 . 1 1 21 MET N N 14.837 -5.628 -0.937 . . . 1.0 . . . . . . . . . . . . A . 21 MET N . . . . . . . . . rr_2mce 1
. 8 . 2535 . 1 1 21 MET O O 17.438 -7.254 -1.061 . . . 1.0 . . . . . . . . . . . . A . 21 MET O . . . . . . . . . rr_2mce 1
. 8 . 2536 . 1 1 21 MET SD S 14.234 -2.709 1.437 . . . 1.0 . . . . . . . . . . . . A . 21 MET SD . . . . . . . . . rr_2mce 1
. 9 . 2537 . 1 1 1 ASP C C -14.591 6.278 3.081 . . . 1.0 . . . . . . . . . . . . A . 1 ASP C . . . . . . . . . rr_2mce 1
. 9 . 2538 . 1 1 1 ASP CA C -15.219 7.674 3.084 . . . 1.0 . . . . . . . . . . . . A . 1 ASP CA . . . . . . . . . rr_2mce 1
. 9 . 2539 . 1 1 1 ASP CB C -14.399 8.562 2.145 . . . 1.0 . . . . . . . . . . . . A . 1 ASP CB . . . . . . . . . rr_2mce 1
. 9 . 2540 . 1 1 1 ASP CG C -15.144 9.778 1.591 . . . 1.0 . . . . . . . . . . . . A . 1 ASP CG . . . . . . . . . rr_2mce 1
. 9 . 2541 . 1 1 1 ASP H1 H -15.129 7.512 5.159 . . . 1.0 . . . . . . . . . . . . A . 1 ASP H1 . . . . . . . . . rr_2mce 1
. 9 . 2542 . 1 1 1 ASP HA H -16.267 7.660 2.784 . . . 1.0 . . . . . . . . . . . . A . 1 ASP HA . . . . . . . . . rr_2mce 1
. 9 . 2543 . 1 1 1 ASP HB2 H -13.514 8.910 2.679 . . . 1.0 . . . . . . . . . . . . A . 1 ASP HB2 . . . . . . . . . rr_2mce 1
. 9 . 2544 . 1 1 1 ASP HB3 H -14.050 7.957 1.310 . . . 1.0 . . . . . . . . . . . . A . 1 ASP HB3 . . . . . . . . . rr_2mce 1
. 9 . 2545 . 1 1 1 ASP HD2 H -14.939 11.436 0.721 . . . 1.0 . . . . . . . . . . . . A . 1 ASP HD2 . . . . . . . . . rr_2mce 1
. 9 . 2546 . 1 1 1 ASP N N -15.215 8.200 4.438 . . . 1.0 . . . . . . . . . . . . A . 1 ASP N . . . . . . . . . rr_2mce 1
. 9 . 2547 . 1 1 1 ASP O O -13.459 6.102 3.526 . . . 1.0 . . . . . . . . . . . . A . 1 ASP O . . . . . . . . . rr_2mce 1
. 9 . 2548 . 1 1 1 ASP OD1 O -16.362 9.919 1.775 . . . 1.0 . . . . . . . . . . . . A . 1 ASP OD1 . . . . . . . . . rr_2mce 1
. 9 . 2549 . 1 1 1 ASP OD2 O -14.412 10.614 0.936 . . . 1.0 . . . . . . . . . . . . A . 1 ASP OD2 . . . . . . . . . rr_2mce 1
. 9 . 2550 . 1 1 2 ALA C C -13.943 3.791 1.318 . . . 1.0 . . . . . . . . . . . . A . 2 ALA C . . . . . . . . . rr_2mce 1
. 9 . 2551 . 1 1 2 ALA CA C -14.890 3.948 2.510 . . . 1.0 . . . . . . . . . . . . A . 2 ALA CA . . . . . . . . . rr_2mce 1
. 9 . 2552 . 1 1 2 ALA CB C -16.091 3.004 2.427 . . . 1.0 . . . . . . . . . . . . A . 2 ALA CB . . . . . . . . . rr_2mce 1
. 9 . 2553 . 1 1 2 ALA H H -16.278 5.474 2.216 . . . 1.0 . . . . . . . . . . . . A . 2 ALA H . . . . . . . . . rr_2mce 1
. 9 . 2554 . 1 1 2 ALA HA H -14.342 3.738 3.429 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HA . . . . . . . . . rr_2mce 1
. 9 . 2555 . 1 1 2 ALA HB1 H -15.914 2.134 3.060 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HB1 . . . . . . . . . rr_2mce 1
. 9 . 2556 . 1 1 2 ALA HB2 H -16.987 3.524 2.768 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HB2 . . . . . . . . . rr_2mce 1
. 9 . 2557 . 1 1 2 ALA HB3 H -16.230 2.681 1.395 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HB3 . . . . . . . . . rr_2mce 1
. 9 . 2558 . 1 1 2 ALA N N -15.356 5.322 2.576 . . . 1.0 . . . . . . . . . . . . A . 2 ALA N . . . . . . . . . rr_2mce 1
. 9 . 2559 . 1 1 2 ALA O O -12.890 3.165 1.435 . . . 1.0 . . . . . . . . . . . . A . 2 ALA O . . . . . . . . . rr_2mce 1
. 9 . 2560 . 1 1 3 GLY C C -12.331 5.222 -0.916 . . . 1.0 . . . . . . . . . . . . A . 3 GLY C . . . . . . . . . rr_2mce 1
. 9 . 2561 . 1 1 3 GLY CA C -13.552 4.305 -1.013 . . . 1.0 . . . . . . . . . . . . A . 3 GLY CA . . . . . . . . . rr_2mce 1
. 9 . 2562 . 1 1 3 GLY H H -15.208 4.878 0.113 . . . 1.0 . . . . . . . . . . . . A . 3 GLY H . . . . . . . . . rr_2mce 1
. 9 . 2563 . 1 1 3 GLY HA2 H -13.227 3.278 -1.182 . . . 1.0 . . . . . . . . . . . . A . 3 GLY HA2 . . . . . . . . . rr_2mce 1
. 9 . 2564 . 1 1 3 GLY HA3 H -14.161 4.591 -1.870 . . . 1.0 . . . . . . . . . . . . A . 3 GLY HA3 . . . . . . . . . rr_2mce 1
. 9 . 2565 . 1 1 3 GLY N N -14.351 4.371 0.199 . . . 1.0 . . . . . . . . . . . . A . 3 GLY N . . . . . . . . . rr_2mce 1
. 9 . 2566 . 1 1 3 GLY O O -11.525 5.288 -1.842 . . . 1.0 . . . . . . . . . . . . A . 3 GLY O . . . . . . . . . rr_2mce 1
. 9 . 2567 . 1 1 4 HIS C C -9.929 6.040 0.995 . . . 1.0 . . . . . . . . . . . . A . 4 HIS C . . . . . . . . . rr_2mce 1
. 9 . 2568 . 1 1 4 HIS CA C -11.126 6.818 0.444 . . . 1.0 . . . . . . . . . . . . A . 4 HIS CA . . . . . . . . . rr_2mce 1
. 9 . 2569 . 1 1 4 HIS CB C -11.552 7.974 1.352 . . . 1.0 . . . . . . . . . . . . A . 4 HIS CB . . . . . . . . . rr_2mce 1
. 9 . 2570 . 1 1 4 HIS CD2 C -9.671 8.693 3.019 . . . 1.0 . . . . . . . . . . . . A . 4 HIS CD2 . . . . . . . . . rr_2mce 1
. 9 . 2571 . 1 1 4 HIS CE1 C -8.893 10.401 1.894 . . . 1.0 . . . . . . . . . . . . A . 4 HIS CE1 . . . . . . . . . rr_2mce 1
. 9 . 2572 . 1 1 4 HIS CG C -10.400 8.801 1.872 . . . 1.0 . . . . . . . . . . . . A . 4 HIS CG . . . . . . . . . rr_2mce 1
. 9 . 2573 . 1 1 4 HIS H H -12.895 5.848 0.963 . . . 1.0 . . . . . . . . . . . . A . 4 HIS H . . . . . . . . . rr_2mce 1
. 9 . 2574 . 1 1 4 HIS HA H -10.859 7.238 -0.526 . . . 1.0 . . . . . . . . . . . . A . 4 HIS HA . . . . . . . . . rr_2mce 1
. 9 . 2575 . 1 1 4 HIS HB2 H -12.233 8.623 0.802 . . . 1.0 . . . . . . . . . . . . A . 4 HIS HB2 . . . . . . . . . rr_2mce 1
. 9 . 2576 . 1 1 4 HIS HB3 H -12.107 7.571 2.198 . . . 1.0 . . . . . . . . . . . . A . 4 HIS HB3 . . . . . . . . . rr_2mce 1
. 9 . 2577 . 1 1 4 HIS HD1 H -10.211 10.226 0.301 . . . 1.0 . . . . . . . . . . . . A . 4 HIS HD1 . . . . . . . . . rr_2mce 1
. 9 . 2578 . 1 1 4 HIS HD2 H -9.812 7.940 3.794 . . . 1.0 . . . . . . . . . . . . A . 4 HIS HD2 . . . . . . . . . rr_2mce 1
. 9 . 2579 . 1 1 4 HIS HE1 H -8.287 11.263 1.618 . . . 1.0 . . . . . . . . . . . . A . 4 HIS HE1 . . . . . . . . . rr_2mce 1
. 9 . 2580 . 1 1 4 HIS N N -12.234 5.907 0.215 . . . 1.0 . . . . . . . . . . . . A . 4 HIS N . . . . . . . . . rr_2mce 1
. 9 . 2581 . 1 1 4 HIS ND1 N -9.887 9.888 1.183 . . . 1.0 . . . . . . . . . . . . A . 4 HIS ND1 . . . . . . . . . rr_2mce 1
. 9 . 2582 . 1 1 4 HIS NE2 N -8.760 9.658 3.030 . . . 1.0 . . . . . . . . . . . . A . 4 HIS NE2 . . . . . . . . . rr_2mce 1
. 9 . 2583 . 1 1 4 HIS O O -8.854 6.606 1.192 . . . 1.0 . . . . . . . . . . . . A . 4 HIS O . . . . . . . . . rr_2mce 1
. 9 . 2584 . 1 1 5 GLY C C -8.227 3.355 0.627 . . . 1.0 . . . . . . . . . . . . A . 5 GLY C . . . . . . . . . rr_2mce 1
. 9 . 2585 . 1 1 5 GLY CA C -9.108 3.896 1.754 . . . 1.0 . . . . . . . . . . . . A . 5 GLY CA . . . . . . . . . rr_2mce 1
. 9 . 2586 . 1 1 5 GLY H H -11.032 4.304 1.066 . . . 1.0 . . . . . . . . . . . . A . 5 GLY H . . . . . . . . . rr_2mce 1
. 9 . 2587 . 1 1 5 GLY HA2 H -8.497 4.452 2.464 . . . 1.0 . . . . . . . . . . . . A . 5 GLY HA2 . . . . . . . . . rr_2mce 1
. 9 . 2588 . 1 1 5 GLY HA3 H -9.555 3.066 2.301 . . . 1.0 . . . . . . . . . . . . A . 5 GLY HA3 . . . . . . . . . rr_2mce 1
. 9 . 2589 . 1 1 5 GLY N N -10.154 4.756 1.229 . . . 1.0 . . . . . . . . . . . . A . 5 GLY N . . . . . . . . . rr_2mce 1
. 9 . 2590 . 1 1 5 GLY O O -7.107 2.907 0.870 . . . 1.0 . . . . . . . . . . . . A . 5 GLY O . . . . . . . . . rr_2mce 1
. 9 . 2591 . 1 1 6 GLN C C -6.692 3.650 -1.865 . . . 1.0 . . . . . . . . . . . . A . 6 GLN C . . . . . . . . . rr_2mce 1
. 9 . 2592 . 1 1 6 GLN CA C -8.040 2.936 -1.748 . . . 1.0 . . . . . . . . . . . . A . 6 GLN CA . . . . . . . . . rr_2mce 1
. 9 . 2593 . 1 1 6 GLN CB C -8.869 3.119 -3.022 . . . 1.0 . . . . . . . . . . . . A . 6 GLN CB . . . . . . . . . rr_2mce 1
. 9 . 2594 . 1 1 6 GLN CD C -8.393 5.337 -4.122 . . . 1.0 . . . . . . . . . . . . A . 6 GLN CD . . . . . . . . . rr_2mce 1
. 9 . 2595 . 1 1 6 GLN CG C -9.322 4.572 -3.177 . . . 1.0 . . . . . . . . . . . . A . 6 GLN CG . . . . . . . . . rr_2mce 1
. 9 . 2596 . 1 1 6 GLN H H -9.676 3.781 -0.772 . . . 1.0 . . . . . . . . . . . . A . 6 GLN H . . . . . . . . . rr_2mce 1
. 9 . 2597 . 1 1 6 GLN HA H -7.882 1.872 -1.574 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HA . . . . . . . . . rr_2mce 1
. 9 . 2598 . 1 1 6 GLN HB2 H -8.279 2.823 -3.889 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HB2 . . . . . . . . . rr_2mce 1
. 9 . 2599 . 1 1 6 GLN HB3 H -9.740 2.464 -2.990 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HB3 . . . . . . . . . rr_2mce 1
. 9 . 2600 . 1 1 6 GLN HE21 H -8.654 6.982 -2.970 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HE21 . . . . . . . . . rr_2mce 1
. 9 . 2601 . 1 1 6 GLN HE22 H -7.613 7.193 -4.337 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HE22 . . . . . . . . . rr_2mce 1
. 9 . 2602 . 1 1 6 GLN HG2 H -10.341 4.599 -3.563 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HG2 . . . . . . . . . rr_2mce 1
. 9 . 2603 . 1 1 6 GLN HG3 H -9.337 5.058 -2.202 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HG3 . . . . . . . . . rr_2mce 1
. 9 . 2604 . 1 1 6 GLN N N -8.764 3.415 -0.582 . . . 1.0 . . . . . . . . . . . . A . 6 GLN N . . . . . . . . . rr_2mce 1
. 9 . 2605 . 1 1 6 GLN NE2 N -8.205 6.609 -3.781 . . . 1.0 . . . . . . . . . . . . A . 6 GLN NE2 . . . . . . . . . rr_2mce 1
. 9 . 2606 . 1 1 6 GLN O O -5.748 3.111 -2.442 . . . 1.0 . . . . . . . . . . . . A . 6 GLN O . . . . . . . . . rr_2mce 1
. 9 . 2607 . 1 1 6 GLN OE1 O -7.881 4.809 -5.095 . . . 1.0 . . . . . . . . . . . . A . 6 GLN OE1 . . . . . . . . . rr_2mce 1
. 9 . 2608 . 1 1 7 ILE C C -4.464 5.139 -0.266 . . . 1.0 . . . . . . . . . . . . A . 7 ILE C . . . . . . . . . rr_2mce 1
. 9 . 2609 . 1 1 7 ILE CA C -5.427 5.644 -1.342 . . . 1.0 . . . . . . . . . . . . A . 7 ILE CA . . . . . . . . . rr_2mce 1
. 9 . 2610 . 1 1 7 ILE CB C -5.754 7.134 -1.224 . . . 1.0 . . . . . . . . . . . . A . 7 ILE CB . . . . . . . . . rr_2mce 1
. 9 . 2611 . 1 1 7 ILE CD1 C -5.530 9.052 -2.847 . . . 1.0 . . . . . . . . . . . . A . 7 ILE CD1 . . . . . . . . . rr_2mce 1
. 9 . 2612 . 1 1 7 ILE CG1 C -4.784 7.976 -2.055 . . . 1.0 . . . . . . . . . . . . A . 7 ILE CG1 . . . . . . . . . rr_2mce 1
. 9 . 2613 . 1 1 7 ILE CG2 C -5.785 7.574 0.241 . . . 1.0 . . . . . . . . . . . . A . 7 ILE CG2 . . . . . . . . . rr_2mce 1
. 9 . 2614 . 1 1 7 ILE H H -7.416 5.282 -0.841 . . . 1.0 . . . . . . . . . . . . A . 7 ILE H . . . . . . . . . rr_2mce 1
. 9 . 2615 . 1 1 7 ILE HA H -4.965 5.492 -2.318 . . . 1.0 . . . . . . . . . . . . A . 7 ILE HA . . . . . . . . . rr_2mce 1
. 9 . 2616 . 1 1 7 ILE HB H -6.751 7.297 -1.630 . . . 1.0 . . . . . . . . . . . . A . 7 ILE HB . . . . . . . . . rr_2mce 1
. 9 . 2617 . 1 1 7 ILE HD11 H -5.533 9.983 -2.281 . . . 1.0 . . . . . . . . . . . . A . 7 ILE HD11 . . . . . . . . . rr_2mce 1
. 9 . 2618 . 1 1 7 ILE HD12 H -5.034 9.210 -3.803 . . . 1.0 . . . . . . . . . . . . A . 7 ILE HD12 . . . . . . . . . rr_2mce 1
. 9 . 2619 . 1 1 7 ILE HD13 H -6.557 8.728 -3.020 . . . 1.0 . . . . . . . . . . . . A . 7 ILE HD13 . . . . . . . . . rr_2mce 1
. 9 . 2620 . 1 1 7 ILE HG12 H -4.051 8.446 -1.399 . . . 1.0 . . . . . . . . . . . . A . 7 ILE HG12 . . . . . . . . . rr_2mce 1
. 9 . 2621 . 1 1 7 ILE HG13 H -4.233 7.332 -2.740 . . . 1.0 . . . . . . . . . . . . A . 7 ILE HG13 . . . . . . . . . rr_2mce 1
. 9 . 2622 . 1 1 7 ILE HG21 H -6.218 8.572 0.311 . . . 1.0 . . . . . . . . . . . . A . 7 ILE HG21 . . . . . . . . . rr_2mce 1
. 9 . 2623 . 1 1 7 ILE HG22 H -6.390 6.874 0.817 . . . 1.0 . . . . . . . . . . . . A . 7 ILE HG22 . . . . . . . . . rr_2mce 1
. 9 . 2624 . 1 1 7 ILE HG23 H -4.770 7.589 0.637 . . . 1.0 . . . . . . . . . . . . A . 7 ILE HG23 . . . . . . . . . rr_2mce 1
. 9 . 2625 . 1 1 7 ILE N N -6.644 4.852 -1.308 . . . 1.0 . . . . . . . . . . . . A . 7 ILE N . . . . . . . . . rr_2mce 1
. 9 . 2626 . 1 1 7 ILE O O -3.265 5.407 -0.326 . . . 1.0 . . . . . . . . . . . . A . 7 ILE O . . . . . . . . . rr_2mce 1
. 9 . 2627 . 1 1 8 SER C C -3.609 2.536 1.356 . . . 1.0 . . . . . . . . . . . . A . 8 SER C . . . . . . . . . rr_2mce 1
. 9 . 2628 . 1 1 8 SER CA C -4.229 3.870 1.779 . . . 1.0 . . . . . . . . . . . . A . 8 SER CA . . . . . . . . . rr_2mce 1
. 9 . 2629 . 1 1 8 SER CB C -5.076 3.683 3.040 . . . 1.0 . . . . . . . . . . . . A . 8 SER CB . . . . . . . . . rr_2mce 1
. 9 . 2630 . 1 1 8 SER H H -6.000 4.200 0.732 . . . 1.0 . . . . . . . . . . . . A . 8 SER H . . . . . . . . . rr_2mce 1
. 9 . 2631 . 1 1 8 SER HA H -3.453 4.610 1.970 . . . 1.0 . . . . . . . . . . . . A . 8 SER HA . . . . . . . . . rr_2mce 1
. 9 . 2632 . 1 1 8 SER HB2 H -6.113 3.498 2.757 . . . 1.0 . . . . . . . . . . . . A . 8 SER HB2 . . . . . . . . . rr_2mce 1
. 9 . 2633 . 1 1 8 SER HB3 H -4.732 2.803 3.582 . . . 1.0 . . . . . . . . . . . . A . 8 SER HB3 . . . . . . . . . rr_2mce 1
. 9 . 2634 . 1 1 8 SER HG H -5.213 4.551 4.838 . . . 1.0 . . . . . . . . . . . . A . 8 SER HG . . . . . . . . . rr_2mce 1
. 9 . 2635 . 1 1 8 SER N N -5.024 4.415 0.692 . . . 1.0 . . . . . . . . . . . . A . 8 SER N . . . . . . . . . rr_2mce 1
. 9 . 2636 . 1 1 8 SER O O -3.037 1.825 2.181 . . . 1.0 . . . . . . . . . . . . A . 8 SER O . . . . . . . . . rr_2mce 1
. 9 . 2637 . 1 1 8 SER OG O -5.016 4.821 3.896 . . . 1.0 . . . . . . . . . . . . A . 8 SER OG . . . . . . . . . rr_2mce 1
. 9 . 2638 . 1 1 9 HIS C C -1.724 1.203 -0.822 . . . 1.0 . . . . . . . . . . . . A . 9 HIS C . . . . . . . . . rr_2mce 1
. 9 . 2639 . 1 1 9 HIS CA C -3.200 1.005 -0.470 . . . 1.0 . . . . . . . . . . . . A . 9 HIS CA . . . . . . . . . rr_2mce 1
. 9 . 2640 . 1 1 9 HIS CB C -4.033 0.522 -1.659 . . . 1.0 . . . . . . . . . . . . A . 9 HIS CB . . . . . . . . . rr_2mce 1
. 9 . 2641 . 1 1 9 HIS CD2 C -5.932 -0.337 -0.081 . . . 1.0 . . . . . . . . . . . . A . 9 HIS CD2 . . . . . . . . . rr_2mce 1
. 9 . 2642 . 1 1 9 HIS CE1 C -6.971 -1.622 -1.514 . . . 1.0 . . . . . . . . . . . . A . 9 HIS CE1 . . . . . . . . . rr_2mce 1
. 9 . 2643 . 1 1 9 HIS CG C -5.265 -0.259 -1.268 . . . 1.0 . . . . . . . . . . . . A . 9 HIS CG . . . . . . . . . rr_2mce 1
. 9 . 2644 . 1 1 9 HIS H H -4.207 2.824 -0.592 . . . 1.0 . . . . . . . . . . . . A . 9 HIS H . . . . . . . . . rr_2mce 1
. 9 . 2645 . 1 1 9 HIS HA H -3.279 0.257 0.317 . . . 1.0 . . . . . . . . . . . . A . 9 HIS HA . . . . . . . . . rr_2mce 1
. 9 . 2646 . 1 1 9 HIS HB2 H -4.337 1.385 -2.252 . . . 1.0 . . . . . . . . . . . . A . 9 HIS HB2 . . . . . . . . . rr_2mce 1
. 9 . 2647 . 1 1 9 HIS HB3 H -3.409 -0.101 -2.299 . . . 1.0 . . . . . . . . . . . . A . 9 HIS HB3 . . . . . . . . . rr_2mce 1
. 9 . 2648 . 1 1 9 HIS HD1 H -5.699 -1.239 -3.108 . . . 1.0 . . . . . . . . . . . . A . 9 HIS HD1 . . . . . . . . . rr_2mce 1
. 9 . 2649 . 1 1 9 HIS HD2 H -5.663 0.188 0.836 . . . 1.0 . . . . . . . . . . . . A . 9 HIS HD2 . . . . . . . . . rr_2mce 1
. 9 . 2650 . 1 1 9 HIS HE1 H -7.696 -2.316 -1.941 . . . 1.0 . . . . . . . . . . . . A . 9 HIS HE1 . . . . . . . . . rr_2mce 1
. 9 . 2651 . 1 1 9 HIS N N -3.741 2.240 0.072 . . . 1.0 . . . . . . . . . . . . A . 9 HIS N . . . . . . . . . rr_2mce 1
. 9 . 2652 . 1 1 9 HIS ND1 N -5.943 -1.081 -2.152 . . . 1.0 . . . . . . . . . . . . A . 9 HIS ND1 . . . . . . . . . rr_2mce 1
. 9 . 2653 . 1 1 9 HIS NE2 N -6.962 -1.160 -0.232 . . . 1.0 . . . . . . . . . . . . A . 9 HIS NE2 . . . . . . . . . rr_2mce 1
. 9 . 2654 . 1 1 9 HIS O O -1.007 0.235 -1.073 . . . 1.0 . . . . . . . . . . . . A . 9 HIS O . . . . . . . . . rr_2mce 1
. 9 . 2655 . 1 1 10 LYS C C 0.981 2.256 -0.054 . . . 1.0 . . . . . . . . . . . . A . 10 LYS C . . . . . . . . . rr_2mce 1
. 9 . 2656 . 1 1 10 LYS CA C 0.062 2.800 -1.149 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CA . . . . . . . . . rr_2mce 1
. 9 . 2657 . 1 1 10 LYS CB C 0.206 4.306 -1.379 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CB . . . . . . . . . rr_2mce 1
. 9 . 2658 . 1 1 10 LYS CD C -1.089 6.180 -2.462 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CD . . . . . . . . . rr_2mce 1
. 9 . 2659 . 1 1 10 LYS CE C -0.334 7.138 -3.386 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CE . . . . . . . . . rr_2mce 1
. 9 . 2660 . 1 1 10 LYS CG C -0.574 4.748 -2.620 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CG . . . . . . . . . rr_2mce 1
. 9 . 2661 . 1 1 10 LYS H H -1.905 3.244 -0.627 . . . 1.0 . . . . . . . . . . . . A . 10 LYS H . . . . . . . . . rr_2mce 1
. 9 . 2662 . 1 1 10 LYS HA H 0.312 2.306 -2.087 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HA . . . . . . . . . rr_2mce 1
. 9 . 2663 . 1 1 10 LYS HB2 H -0.156 4.848 -0.505 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HB2 . . . . . . . . . rr_2mce 1
. 9 . 2664 . 1 1 10 LYS HB3 H 1.259 4.561 -1.498 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HB3 . . . . . . . . . rr_2mce 1
. 9 . 2665 . 1 1 10 LYS HD2 H -2.155 6.214 -2.689 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HD2 . . . . . . . . . rr_2mce 1
. 9 . 2666 . 1 1 10 LYS HD3 H -0.974 6.500 -1.427 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HD3 . . . . . . . . . rr_2mce 1
. 9 . 2667 . 1 1 10 LYS HE2 H 0.555 6.647 -3.781 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HE2 . . . . . . . . . rr_2mce 1
. 9 . 2668 . 1 1 10 LYS HE3 H -0.961 7.399 -4.239 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HE3 . . . . . . . . . rr_2mce 1
. 9 . 2669 . 1 1 10 LYS HG2 H 0.067 4.682 -3.499 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HG2 . . . . . . . . . rr_2mce 1
. 9 . 2670 . 1 1 10 LYS HG3 H -1.413 4.071 -2.785 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HG3 . . . . . . . . . rr_2mce 1
. 9 . 2671 . 1 1 10 LYS HZ1 H 1.060 8.484 -2.621 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HZ1 . . . . . . . . . rr_2mce 1
. 9 . 2672 . 1 1 10 LYS HZ3 H -0.273 8.354 -1.694 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HZ3 . . . . . . . . . rr_2mce 1
. 9 . 2673 . 1 1 10 LYS N N -1.315 2.463 -0.831 . . . 1.0 . . . . . . . . . . . . A . 10 LYS N . . . . . . . . . rr_2mce 1
. 9 . 2674 . 1 1 10 LYS NZ N 0.054 8.364 -2.655 . . . 1.0 . . . . . . . . . . . . A . 10 LYS NZ . . . . . . . . . rr_2mce 1
. 9 . 2675 . 1 1 10 LYS O O 2.177 2.069 -0.277 . . . 1.0 . . . . . . . . . . . . A . 10 LYS O . . . . . . . . . rr_2mce 1
. 9 . 2676 . 1 1 11 ARG C C 1.522 0.035 1.995 . . . 1.0 . . . . . . . . . . . . A . 11 ARG C . . . . . . . . . rr_2mce 1
. 9 . 2677 . 1 1 11 ARG CA C 1.140 1.497 2.237 . . . 1.0 . . . . . . . . . . . . A . 11 ARG CA . . . . . . . . . rr_2mce 1
. 9 . 2678 . 1 1 11 ARG CB C 0.328 1.597 3.530 . . . 1.0 . . . . . . . . . . . . A . 11 ARG CB . . . . . . . . . rr_2mce 1
. 9 . 2679 . 1 1 11 ARG CD C -0.647 -0.590 4.323 . . . 1.0 . . . . . . . . . . . . A . 11 ARG CD . . . . . . . . . rr_2mce 1
. 9 . 2680 . 1 1 11 ARG CG C -0.888 0.670 3.488 . . . 1.0 . . . . . . . . . . . . A . 11 ARG CG . . . . . . . . . rr_2mce 1
. 9 . 2681 . 1 1 11 ARG CZ C -2.605 -0.240 5.839 . . . 1.0 . . . . . . . . . . . . A . 11 ARG CZ . . . . . . . . . rr_2mce 1
. 9 . 2682 . 1 1 11 ARG H H -0.583 2.171 1.281 . . . 1.0 . . . . . . . . . . . . A . 11 ARG H . . . . . . . . . rr_2mce 1
. 9 . 2683 . 1 1 11 ARG HA H 2.026 2.129 2.297 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HA . . . . . . . . . rr_2mce 1
. 9 . 2684 . 1 1 11 ARG HB2 H 0.959 1.336 4.381 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HB2 . . . . . . . . . rr_2mce 1
. 9 . 2685 . 1 1 11 ARG HB3 H 0.001 2.626 3.680 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HB3 . . . . . . . . . rr_2mce 1
. 9 . 2686 . 1 1 11 ARG HD2 H -1.054 -1.461 3.809 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HD2 . . . . . . . . . rr_2mce 1
. 9 . 2687 . 1 1 11 ARG HD3 H 0.423 -0.759 4.439 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HD3 . . . . . . . . . rr_2mce 1
. 9 . 2688 . 1 1 11 ARG HE H -0.698 -0.503 6.460 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HE . . . . . . . . . rr_2mce 1
. 9 . 2689 . 1 1 11 ARG HG2 H -1.765 1.197 3.862 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HG2 . . . . . . . . . rr_2mce 1
. 9 . 2690 . 1 1 11 ARG HG3 H -1.101 0.390 2.455 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HG3 . . . . . . . . . rr_2mce 1
. 9 . 2691 . 1 1 11 ARG HH11 H -3.085 -0.242 3.854 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HH11 . . . . . . . . . rr_2mce 1
. 9 . 2692 . 1 1 11 ARG HH12 H -4.419 -0.002 4.932 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HH12 . . . . . . . . . rr_2mce 1
. 9 . 2693 . 1 1 11 ARG HH22 H -4.027 0.027 7.297 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HH22 . . . . . . . . . rr_2mce 1
. 9 . 2694 . 1 1 11 ARG N N 0.389 2.016 1.107 . . . 1.0 . . . . . . . . . . . . A . 11 ARG N . . . . . . . . . rr_2mce 1
. 9 . 2695 . 1 1 11 ARG NE N -1.284 -0.445 5.651 . . . 1.0 . . . . . . . . . . . . A . 11 ARG NE . . . . . . . . . rr_2mce 1
. 9 . 2696 . 1 1 11 ARG NH1 N -3.442 -0.154 4.785 . . . 1.0 . . . . . . . . . . . . A . 11 ARG NH1 . . . . . . . . . rr_2mce 1
. 9 . 2697 . 1 1 11 ARG NH2 N -3.065 -0.125 7.071 . . . 1.0 . . . . . . . . . . . . A . 11 ARG NH2 . . . . . . . . . rr_2mce 1
. 9 . 2698 . 1 1 11 ARG O O 2.420 -0.492 2.648 . . . 1.0 . . . . . . . . . . . . A . 11 ARG O . . . . . . . . . rr_2mce 1
. 9 . 2699 . 1 1 12 HIS C C 2.216 -2.049 -0.300 . . . 1.0 . . . . . . . . . . . . A . 12 HIS C . . . . . . . . . rr_2mce 1
. 9 . 2700 . 1 1 12 HIS CA C 1.074 -1.968 0.715 . . . 1.0 . . . . . . . . . . . . A . 12 HIS CA . . . . . . . . . rr_2mce 1
. 9 . 2701 . 1 1 12 HIS CB C -0.205 -2.651 0.226 . . . 1.0 . . . . . . . . . . . . A . 12 HIS CB . . . . . . . . . rr_2mce 1
. 9 . 2702 . 1 1 12 HIS CD2 C -1.449 -4.027 2.068 . . . 1.0 . . . . . . . . . . . . A . 12 HIS CD2 . . . . . . . . . rr_2mce 1
. 9 . 2703 . 1 1 12 HIS CE1 C -2.876 -2.490 2.694 . . . 1.0 . . . . . . . . . . . . A . 12 HIS CE1 . . . . . . . . . rr_2mce 1
. 9 . 2704 . 1 1 12 HIS CG C -1.217 -2.912 1.316 . . . 1.0 . . . . . . . . . . . . A . 12 HIS CG . . . . . . . . . rr_2mce 1
. 9 . 2705 . 1 1 12 HIS H H 0.091 -0.142 0.525 . . . 1.0 . . . . . . . . . . . . A . 12 HIS H . . . . . . . . . rr_2mce 1
. 9 . 2706 . 1 1 12 HIS HA H 1.382 -2.462 1.637 . . . 1.0 . . . . . . . . . . . . A . 12 HIS HA . . . . . . . . . rr_2mce 1
. 9 . 2707 . 1 1 12 HIS HB2 H -0.666 -2.029 -0.542 . . . 1.0 . . . . . . . . . . . . A . 12 HIS HB2 . . . . . . . . . rr_2mce 1
. 9 . 2708 . 1 1 12 HIS HB3 H 0.058 -3.597 -0.246 . . . 1.0 . . . . . . . . . . . . A . 12 HIS HB3 . . . . . . . . . rr_2mce 1
. 9 . 2709 . 1 1 12 HIS HD1 H -2.218 -1.034 1.370 . . . 1.0 . . . . . . . . . . . . A . 12 HIS HD1 . . . . . . . . . rr_2mce 1
. 9 . 2710 . 1 1 12 HIS HD2 H -0.904 -4.967 1.997 . . . 1.0 . . . . . . . . . . . . A . 12 HIS HD2 . . . . . . . . . rr_2mce 1
. 9 . 2711 . 1 1 12 HIS HE1 H -3.685 -1.990 3.226 . . . 1.0 . . . . . . . . . . . . A . 12 HIS HE1 . . . . . . . . . rr_2mce 1
. 9 . 2712 . 1 1 12 HIS N N 0.819 -0.578 1.052 . . . 1.0 . . . . . . . . . . . . A . 12 HIS N . . . . . . . . . rr_2mce 1
. 9 . 2713 . 1 1 12 HIS ND1 N -2.132 -1.962 1.733 . . . 1.0 . . . . . . . . . . . . A . 12 HIS ND1 . . . . . . . . . rr_2mce 1
. 9 . 2714 . 1 1 12 HIS NE2 N -2.451 -3.770 2.900 . . . 1.0 . . . . . . . . . . . . A . 12 HIS NE2 . . . . . . . . . rr_2mce 1
. 9 . 2715 . 1 1 12 HIS O O 2.738 -3.131 -0.566 . . . 1.0 . . . . . . . . . . . . A . 12 HIS O . . . . . . . . . rr_2mce 1
. 9 . 2716 . 1 1 13 LYS C C 4.985 -0.983 -1.112 . . . 1.0 . . . . . . . . . . . . A . 13 LYS C . . . . . . . . . rr_2mce 1
. 9 . 2717 . 1 1 13 LYS CA C 3.638 -0.818 -1.819 . . . 1.0 . . . . . . . . . . . . A . 13 LYS CA . . . . . . . . . rr_2mce 1
. 9 . 2718 . 1 1 13 LYS CB C 3.527 0.469 -2.638 . . . 1.0 . . . . . . . . . . . . A . 13 LYS CB . . . . . . . . . rr_2mce 1
. 9 . 2719 . 1 1 13 LYS CD C 2.323 -0.171 -4.760 . . . 1.0 . . . . . . . . . . . . A . 13 LYS CD . . . . . . . . . rr_2mce 1
. 9 . 2720 . 1 1 13 LYS CE C 1.001 -0.109 -5.527 . . . 1.0 . . . . . . . . . . . . A . 13 LYS CE . . . . . . . . . rr_2mce 1
. 9 . 2721 . 1 1 13 LYS CG C 2.202 0.521 -3.401 . . . 1.0 . . . . . . . . . . . . A . 13 LYS CG . . . . . . . . . rr_2mce 1
. 9 . 2722 . 1 1 13 LYS H H 2.138 -0.018 -0.617 . . . 1.0 . . . . . . . . . . . . A . 13 LYS H . . . . . . . . . rr_2mce 1
. 9 . 2723 . 1 1 13 LYS HA H 3.506 -1.652 -2.510 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HA . . . . . . . . . rr_2mce 1
. 9 . 2724 . 1 1 13 LYS HB2 H 3.606 1.333 -1.978 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HB2 . . . . . . . . . rr_2mce 1
. 9 . 2725 . 1 1 13 LYS HB3 H 4.358 0.530 -3.342 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HB3 . . . . . . . . . rr_2mce 1
. 9 . 2726 . 1 1 13 LYS HD2 H 3.110 0.303 -5.345 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HD2 . . . . . . . . . rr_2mce 1
. 9 . 2727 . 1 1 13 LYS HD3 H 2.616 -1.212 -4.617 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HD3 . . . . . . . . . rr_2mce 1
. 9 . 2728 . 1 1 13 LYS HE2 H 0.373 -0.956 -5.251 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HE2 . . . . . . . . . rr_2mce 1
. 9 . 2729 . 1 1 13 LYS HE3 H 0.456 0.795 -5.252 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HE3 . . . . . . . . . rr_2mce 1
. 9 . 2730 . 1 1 13 LYS HG2 H 1.421 0.042 -2.812 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HG2 . . . . . . . . . rr_2mce 1
. 9 . 2731 . 1 1 13 LYS HG3 H 1.902 1.559 -3.543 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HG3 . . . . . . . . . rr_2mce 1
. 9 . 2732 . 1 1 13 LYS HZ1 H 0.473 0.277 -7.505 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HZ1 . . . . . . . . . rr_2mce 1
. 9 . 2733 . 1 1 13 LYS HZ3 H 1.386 -1.061 -7.340 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HZ3 . . . . . . . . . rr_2mce 1
. 9 . 2734 . 1 1 13 LYS N N 2.568 -0.892 -0.839 . . . 1.0 . . . . . . . . . . . . A . 13 LYS N . . . . . . . . . rr_2mce 1
. 9 . 2735 . 1 1 13 LYS NZ N 1.247 -0.121 -6.986 . . . 1.0 . . . . . . . . . . . . A . 13 LYS NZ . . . . . . . . . rr_2mce 1
. 9 . 2736 . 1 1 13 LYS O O 5.970 -1.384 -1.730 . . . 1.0 . . . . . . . . . . . . A . 13 LYS O . . . . . . . . . rr_2mce 1
. 9 . 2737 . 1 1 14 THR C C 6.493 -2.238 1.291 . . . 1.0 . . . . . . . . . . . . A . 14 THR C . . . . . . . . . rr_2mce 1
. 9 . 2738 . 1 1 14 THR CA C 6.193 -0.773 0.972 . . . 1.0 . . . . . . . . . . . . A . 14 THR CA . . . . . . . . . rr_2mce 1
. 9 . 2739 . 1 1 14 THR CB C 6.015 0.096 2.219 . . . 1.0 . . . . . . . . . . . . A . 14 THR CB . . . . . . . . . rr_2mce 1
. 9 . 2740 . 1 1 14 THR CG2 C 5.702 1.554 1.877 . . . 1.0 . . . . . . . . . . . . A . 14 THR CG2 . . . . . . . . . rr_2mce 1
. 9 . 2741 . 1 1 14 THR H H 4.179 -0.339 0.669 . . . 1.0 . . . . . . . . . . . . A . 14 THR H . . . . . . . . . rr_2mce 1
. 9 . 2742 . 1 1 14 THR HA H 7.029 -0.396 0.383 . . . 1.0 . . . . . . . . . . . . A . 14 THR HA . . . . . . . . . rr_2mce 1
. 9 . 2743 . 1 1 14 THR HB H 6.888 0.028 2.869 . . . 1.0 . . . . . . . . . . . . A . 14 THR HB . . . . . . . . . rr_2mce 1
. 9 . 2744 . 1 1 14 THR HG1 H 4.560 0.187 3.590 . . . 1.0 . . . . . . . . . . . . A . 14 THR HG1 . . . . . . . . . rr_2mce 1
. 9 . 2745 . 1 1 14 THR HG21 H 5.392 1.624 0.835 . . . 1.0 . . . . . . . . . . . . A . 14 THR HG21 . . . . . . . . . rr_2mce 1
. 9 . 2746 . 1 1 14 THR HG22 H 4.899 1.914 2.520 . . . 1.0 . . . . . . . . . . . . A . 14 THR HG22 . . . . . . . . . rr_2mce 1
. 9 . 2747 . 1 1 14 THR HG23 H 6.592 2.164 2.033 . . . 1.0 . . . . . . . . . . . . A . 14 THR HG23 . . . . . . . . . rr_2mce 1
. 9 . 2748 . 1 1 14 THR N N 4.984 -0.665 0.174 . . . 1.0 . . . . . . . . . . . . A . 14 THR N . . . . . . . . . rr_2mce 1
. 9 . 2749 . 1 1 14 THR O O 7.640 -2.598 1.556 . . . 1.0 . . . . . . . . . . . . A . 14 THR O . . . . . . . . . rr_2mce 1
. 9 . 2750 . 1 1 14 THR OG1 O 4.813 -0.387 2.811 . . . 1.0 . . . . . . . . . . . . A . 14 THR OG1 . . . . . . . . . rr_2mce 1
. 9 . 2751 . 1 1 15 ASP C C 6.229 -5.158 0.338 . . . 1.0 . . . . . . . . . . . . A . 15 ASP C . . . . . . . . . rr_2mce 1
. 9 . 2752 . 1 1 15 ASP CA C 5.579 -4.464 1.537 . . . 1.0 . . . . . . . . . . . . A . 15 ASP CA . . . . . . . . . rr_2mce 1
. 9 . 2753 . 1 1 15 ASP CB C 4.214 -5.112 1.776 . . . 1.0 . . . . . . . . . . . . A . 15 ASP CB . . . . . . . . . rr_2mce 1
. 9 . 2754 . 1 1 15 ASP CG C 3.623 -4.879 3.168 . . . 1.0 . . . . . . . . . . . . A . 15 ASP CG . . . . . . . . . rr_2mce 1
. 9 . 2755 . 1 1 15 ASP H H 4.514 -2.745 1.040 . . . 1.0 . . . . . . . . . . . . A . 15 ASP H . . . . . . . . . rr_2mce 1
. 9 . 2756 . 1 1 15 ASP HA H 6.196 -4.520 2.435 . . . 1.0 . . . . . . . . . . . . A . 15 ASP HA . . . . . . . . . rr_2mce 1
. 9 . 2757 . 1 1 15 ASP HB2 H 3.513 -4.733 1.033 . . . 1.0 . . . . . . . . . . . . A . 15 ASP HB2 . . . . . . . . . rr_2mce 1
. 9 . 2758 . 1 1 15 ASP HB3 H 4.305 -6.186 1.611 . . . 1.0 . . . . . . . . . . . . A . 15 ASP HB3 . . . . . . . . . rr_2mce 1
. 9 . 2759 . 1 1 15 ASP HD2 H 1.845 -5.063 3.760 . . . 1.0 . . . . . . . . . . . . A . 15 ASP HD2 . . . . . . . . . rr_2mce 1
. 9 . 2760 . 1 1 15 ASP N N 5.443 -3.046 1.256 . . . 1.0 . . . . . . . . . . . . A . 15 ASP N . . . . . . . . . rr_2mce 1
. 9 . 2761 . 1 1 15 ASP O O 6.897 -6.178 0.494 . . . 1.0 . . . . . . . . . . . . A . 15 ASP O . . . . . . . . . rr_2mce 1
. 9 . 2762 . 1 1 15 ASP OD1 O 4.296 -5.081 4.190 . . . 1.0 . . . . . . . . . . . . A . 15 ASP OD1 . . . . . . . . . rr_2mce 1
. 9 . 2763 . 1 1 15 ASP OD2 O 2.400 -4.468 3.179 . . . 1.0 . . . . . . . . . . . . A . 15 ASP OD2 . . . . . . . . . rr_2mce 1
. 9 . 2764 . 1 1 16 SER C C 8.062 -4.825 -2.134 . . . 1.0 . . . . . . . . . . . . A . 16 SER C . . . . . . . . . rr_2mce 1
. 9 . 2765 . 1 1 16 SER CA C 6.564 -5.126 -2.057 . . . 1.0 . . . . . . . . . . . . A . 16 SER CA . . . . . . . . . rr_2mce 1
. 9 . 2766 . 1 1 16 SER CB C 5.846 -4.565 -3.287 . . . 1.0 . . . . . . . . . . . . A . 16 SER CB . . . . . . . . . rr_2mce 1
. 9 . 2767 . 1 1 16 SER H H 5.463 -3.746 -0.950 . . . 1.0 . . . . . . . . . . . . A . 16 SER H . . . . . . . . . rr_2mce 1
. 9 . 2768 . 1 1 16 SER HA H 6.392 -6.200 -1.995 . . . 1.0 . . . . . . . . . . . . A . 16 SER HA . . . . . . . . . rr_2mce 1
. 9 . 2769 . 1 1 16 SER HB2 H 4.800 -4.381 -3.043 . . . 1.0 . . . . . . . . . . . . A . 16 SER HB2 . . . . . . . . . rr_2mce 1
. 9 . 2770 . 1 1 16 SER HB3 H 6.285 -3.604 -3.556 . . . 1.0 . . . . . . . . . . . . A . 16 SER HB3 . . . . . . . . . rr_2mce 1
. 9 . 2771 . 1 1 16 SER HG H 5.005 -5.695 -4.708 . . . 1.0 . . . . . . . . . . . . A . 16 SER HG . . . . . . . . . rr_2mce 1
. 9 . 2772 . 1 1 16 SER N N 6.009 -4.576 -0.832 . . . 1.0 . . . . . . . . . . . . A . 16 SER N . . . . . . . . . rr_2mce 1
. 9 . 2773 . 1 1 16 SER O O 8.801 -5.510 -2.839 . . . 1.0 . . . . . . . . . . . . A . 16 SER O . . . . . . . . . rr_2mce 1
. 9 . 2774 . 1 1 16 SER OG O 5.924 -5.451 -4.400 . . . 1.0 . . . . . . . . . . . . A . 16 SER OG . . . . . . . . . rr_2mce 1
. 9 . 2775 . 1 1 17 PHE C C 10.695 -4.368 -0.534 . . . 1.0 . . . . . . . . . . . . A . 17 PHE C . . . . . . . . . rr_2mce 1
. 9 . 2776 . 1 1 17 PHE CA C 9.862 -3.399 -1.375 . . . 1.0 . . . . . . . . . . . . A . 17 PHE CA . . . . . . . . . rr_2mce 1
. 9 . 2777 . 1 1 17 PHE CB C 9.918 -2.010 -0.736 . . . 1.0 . . . . . . . . . . . . A . 17 PHE CB . . . . . . . . . rr_2mce 1
. 9 . 2778 . 1 1 17 PHE CD1 C 11.220 -2.178 1.397 . . . 1.0 . . . . . . . . . . . . A . 17 PHE CD1 . . . . . . . . . rr_2mce 1
. 9 . 2779 . 1 1 17 PHE CD2 C 12.242 -1.123 -0.445 . . . 1.0 . . . . . . . . . . . . A . 17 PHE CD2 . . . . . . . . . rr_2mce 1
. 9 . 2780 . 1 1 17 PHE CE1 C 12.386 -1.948 2.175 . . . 1.0 . . . . . . . . . . . . A . 17 PHE CE1 . . . . . . . . . rr_2mce 1
. 9 . 2781 . 1 1 17 PHE CE2 C 13.407 -0.893 0.333 . . . 1.0 . . . . . . . . . . . . A . 17 PHE CE2 . . . . . . . . . rr_2mce 1
. 9 . 2782 . 1 1 17 PHE CG C 11.174 -1.761 0.103 . . . 1.0 . . . . . . . . . . . . A . 17 PHE CG . . . . . . . . . rr_2mce 1
. 9 . 2783 . 1 1 17 PHE CZ C 13.454 -1.309 1.627 . . . 1.0 . . . . . . . . . . . . A . 17 PHE CZ . . . . . . . . . rr_2mce 1
. 9 . 2784 . 1 1 17 PHE H H 7.858 -3.246 -0.828 . . . 1.0 . . . . . . . . . . . . A . 17 PHE H . . . . . . . . . rr_2mce 1
. 9 . 2785 . 1 1 17 PHE HA H 10.220 -3.412 -2.404 . . . 1.0 . . . . . . . . . . . . A . 17 PHE HA . . . . . . . . . rr_2mce 1
. 9 . 2786 . 1 1 17 PHE HB2 H 9.864 -1.257 -1.522 . . . 1.0 . . . . . . . . . . . . A . 17 PHE HB2 . . . . . . . . . rr_2mce 1
. 9 . 2787 . 1 1 17 PHE HB3 H 9.040 -1.875 -0.104 . . . 1.0 . . . . . . . . . . . . A . 17 PHE HB3 . . . . . . . . . rr_2mce 1
. 9 . 2788 . 1 1 17 PHE HD1 H 10.364 -2.690 1.836 . . . 1.0 . . . . . . . . . . . . A . 17 PHE HD1 . . . . . . . . . rr_2mce 1
. 9 . 2789 . 1 1 17 PHE HD2 H 12.205 -0.788 -1.481 . . . 1.0 . . . . . . . . . . . . A . 17 PHE HD2 . . . . . . . . . rr_2mce 1
. 9 . 2790 . 1 1 17 PHE HE1 H 12.424 -2.282 3.212 . . . 1.0 . . . . . . . . . . . . A . 17 PHE HE1 . . . . . . . . . rr_2mce 1
. 9 . 2791 . 1 1 17 PHE HE2 H 14.263 -0.381 -0.106 . . . 1.0 . . . . . . . . . . . . A . 17 PHE HE2 . . . . . . . . . rr_2mce 1
. 9 . 2792 . 1 1 17 PHE HZ H 14.349 -1.133 2.225 . . . 1.0 . . . . . . . . . . . . A . 17 PHE HZ . . . . . . . . . rr_2mce 1
. 9 . 2793 . 1 1 17 PHE N N 8.466 -3.798 -1.399 . . . 1.0 . . . . . . . . . . . . A . 17 PHE N . . . . . . . . . rr_2mce 1
. 9 . 2794 . 1 1 17 PHE O O 11.909 -4.461 -0.708 . . . 1.0 . . . . . . . . . . . . A . 17 PHE O . . . . . . . . . rr_2mce 1
. 9 . 2795 . 1 1 18 VAL C C 11.173 -7.204 0.390 . . . 1.0 . . . . . . . . . . . . A . 18 VAL C . . . . . . . . . rr_2mce 1
. 9 . 2796 . 1 1 18 VAL CA C 10.673 -6.025 1.228 . . . 1.0 . . . . . . . . . . . . A . 18 VAL CA . . . . . . . . . rr_2mce 1
. 9 . 2797 . 1 1 18 VAL CB C 9.728 -6.450 2.354 . . . 1.0 . . . . . . . . . . . . A . 18 VAL CB . . . . . . . . . rr_2mce 1
. 9 . 2798 . 1 1 18 VAL CG1 C 10.485 -7.210 3.446 . . . 1.0 . . . . . . . . . . . . A . 18 VAL CG1 . . . . . . . . . rr_2mce 1
. 9 . 2799 . 1 1 18 VAL CG2 C 8.991 -5.242 2.937 . . . 1.0 . . . . . . . . . . . . A . 18 VAL CG2 . . . . . . . . . rr_2mce 1
. 9 . 2800 . 1 1 18 VAL H H 9.023 -4.985 0.495 . . . 1.0 . . . . . . . . . . . . A . 18 VAL H . . . . . . . . . rr_2mce 1
. 9 . 2801 . 1 1 18 VAL HA H 11.531 -5.524 1.677 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HA . . . . . . . . . rr_2mce 1
. 9 . 2802 . 1 1 18 VAL HB H 8.984 -7.124 1.931 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HB . . . . . . . . . rr_2mce 1
. 9 . 2803 . 1 1 18 VAL HG11 H 11.547 -6.974 3.383 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HG11 . . . . . . . . . rr_2mce 1
. 9 . 2804 . 1 1 18 VAL HG12 H 10.105 -6.914 4.424 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HG12 . . . . . . . . . rr_2mce 1
. 9 . 2805 . 1 1 18 VAL HG13 H 10.341 -8.281 3.308 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HG13 . . . . . . . . . rr_2mce 1
. 9 . 2806 . 1 1 18 VAL HG21 H 8.567 -5.509 3.904 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HG21 . . . . . . . . . rr_2mce 1
. 9 . 2807 . 1 1 18 VAL HG22 H 9.690 -4.416 3.061 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HG22 . . . . . . . . . rr_2mce 1
. 9 . 2808 . 1 1 18 VAL HG23 H 8.191 -4.944 2.259 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HG23 . . . . . . . . . rr_2mce 1
. 9 . 2809 . 1 1 18 VAL N N 10.010 -5.066 0.360 . . . 1.0 . . . . . . . . . . . . A . 18 VAL N . . . . . . . . . rr_2mce 1
. 9 . 2810 . 1 1 18 VAL O O 12.182 -7.823 0.725 . . . 1.0 . . . . . . . . . . . . A . 18 VAL O . . . . . . . . . rr_2mce 1
. 9 . 2811 . 1 1 19 GLY C C 11.857 -8.128 -2.588 . . . 1.0 . . . . . . . . . . . . A . 19 GLY C . . . . . . . . . rr_2mce 1
. 9 . 2812 . 1 1 19 GLY CA C 10.803 -8.570 -1.571 . . . 1.0 . . . . . . . . . . . . A . 19 GLY CA . . . . . . . . . rr_2mce 1
. 9 . 2813 . 1 1 19 GLY H H 9.626 -6.967 -0.948 . . . 1.0 . . . . . . . . . . . . A . 19 GLY H . . . . . . . . . rr_2mce 1
. 9 . 2814 . 1 1 19 GLY HA2 H 11.185 -9.407 -0.987 . . . 1.0 . . . . . . . . . . . . A . 19 GLY HA2 . . . . . . . . . rr_2mce 1
. 9 . 2815 . 1 1 19 GLY HA3 H 9.914 -8.925 -2.093 . . . 1.0 . . . . . . . . . . . . A . 19 GLY HA3 . . . . . . . . . rr_2mce 1
. 9 . 2816 . 1 1 19 GLY N N 10.446 -7.477 -0.683 . . . 1.0 . . . . . . . . . . . . A . 19 GLY N . . . . . . . . . rr_2mce 1
. 9 . 2817 . 1 1 19 GLY O O 12.310 -8.928 -3.405 . . . 1.0 . . . . . . . . . . . . A . 19 GLY O . . . . . . . . . rr_2mce 1
. 9 . 2818 . 1 1 20 LEU C C 14.599 -6.459 -2.793 . . . 1.0 . . . . . . . . . . . . A . 20 LEU C . . . . . . . . . rr_2mce 1
. 9 . 2819 . 1 1 20 LEU CA C 13.208 -6.298 -3.408 . . . 1.0 . . . . . . . . . . . . A . 20 LEU CA . . . . . . . . . rr_2mce 1
. 9 . 2820 . 1 1 20 LEU CB C 12.856 -4.852 -3.763 . . . 1.0 . . . . . . . . . . . . A . 20 LEU CB . . . . . . . . . rr_2mce 1
. 9 . 2821 . 1 1 20 LEU CD1 C 10.916 -4.669 -5.364 . . . 1.0 . . . . . . . . . . . . A . 20 LEU CD1 . . . . . . . . . rr_2mce 1
. 9 . 2822 . 1 1 20 LEU CD2 C 13.004 -3.273 -5.724 . . . 1.0 . . . . . . . . . . . . A . 20 LEU CD2 . . . . . . . . . rr_2mce 1
. 9 . 2823 . 1 1 20 LEU CG C 12.438 -4.600 -5.213 . . . 1.0 . . . . . . . . . . . . A . 20 LEU CG . . . . . . . . . rr_2mce 1
. 9 . 2824 . 1 1 20 LEU H H 11.842 -6.211 -1.837 . . . 1.0 . . . . . . . . . . . . A . 20 LEU H . . . . . . . . . rr_2mce 1
. 9 . 2825 . 1 1 20 LEU HA H 13.170 -6.875 -4.332 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HA . . . . . . . . . rr_2mce 1
. 9 . 2826 . 1 1 20 LEU HB2 H 12.047 -4.525 -3.109 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HB2 . . . . . . . . . rr_2mce 1
. 9 . 2827 . 1 1 20 LEU HB3 H 13.719 -4.223 -3.540 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HB3 . . . . . . . . . rr_2mce 1
. 9 . 2828 . 1 1 20 LEU HD11 H 10.458 -4.770 -4.380 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HD11 . . . . . . . . . rr_2mce 1
. 9 . 2829 . 1 1 20 LEU HD12 H 10.557 -3.758 -5.840 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HD12 . . . . . . . . . rr_2mce 1
. 9 . 2830 . 1 1 20 LEU HD13 H 10.651 -5.530 -5.979 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HD13 . . . . . . . . . rr_2mce 1
. 9 . 2831 . 1 1 20 LEU HD21 H 12.285 -2.807 -6.397 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HD21 . . . . . . . . . rr_2mce 1
. 9 . 2832 . 1 1 20 LEU HD22 H 13.196 -2.611 -4.881 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HD22 . . . . . . . . . rr_2mce 1
. 9 . 2833 . 1 1 20 LEU HD23 H 13.935 -3.459 -6.260 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HD23 . . . . . . . . . rr_2mce 1
. 9 . 2834 . 1 1 20 LEU HG H 12.859 -5.390 -5.833 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HG . . . . . . . . . rr_2mce 1
. 9 . 2835 . 1 1 20 LEU N N 12.217 -6.856 -2.504 . . . 1.0 . . . . . . . . . . . . A . 20 LEU N . . . . . . . . . rr_2mce 1
. 9 . 2836 . 1 1 20 LEU O O 15.601 -6.472 -3.508 . . . 1.0 . . . . . . . . . . . . A . 20 LEU O . . . . . . . . . rr_2mce 1
. 9 . 2837 . 1 1 21 MET C C 16.449 -8.137 -0.964 . . . 1.0 . . . . . . . . . . . . A . 21 MET C . . . . . . . . . rr_2mce 1
. 9 . 2838 . 1 1 21 MET CA C 15.870 -6.736 -0.753 . . . 1.0 . . . . . . . . . . . . A . 21 MET CA . . . . . . . . . rr_2mce 1
. 9 . 2839 . 1 1 21 MET CB C 15.635 -6.500 0.739 . . . 1.0 . . . . . . . . . . . . A . 21 MET CB . . . . . . . . . rr_2mce 1
. 9 . 2840 . 1 1 21 MET CE C 14.269 -5.148 3.211 . . . 1.0 . . . . . . . . . . . . A . 21 MET CE . . . . . . . . . rr_2mce 1
. 9 . 2841 . 1 1 21 MET CG C 16.058 -5.086 1.144 . . . 1.0 . . . . . . . . . . . . A . 21 MET CG . . . . . . . . . rr_2mce 1
. 9 . 2842 . 1 1 21 MET H H 13.800 -6.564 -0.899 . . . 1.0 . . . . . . . . . . . . A . 21 MET H . . . . . . . . . rr_2mce 1
. 9 . 2843 . 1 1 21 MET HA H 16.545 -5.990 -1.172 . . . 1.0 . . . . . . . . . . . . A . 21 MET HA . . . . . . . . . rr_2mce 1
. 9 . 2844 . 1 1 21 MET HB2 H 14.581 -6.648 0.974 . . . 1.0 . . . . . . . . . . . . A . 21 MET HB2 . . . . . . . . . rr_2mce 1
. 9 . 2845 . 1 1 21 MET HB3 H 16.196 -7.232 1.320 . . . 1.0 . . . . . . . . . . . . A . 21 MET HB3 . . . . . . . . . rr_2mce 1
. 9 . 2846 . 1 1 21 MET HE1 H 14.115 -6.041 3.817 . . . 1.0 . . . . . . . . . . . . A . 21 MET HE1 . . . . . . . . . rr_2mce 1
. 9 . 2847 . 1 1 21 MET HE2 H 13.873 -4.280 3.738 . . . 1.0 . . . . . . . . . . . . A . 21 MET HE2 . . . . . . . . . rr_2mce 1
. 9 . 2848 . 1 1 21 MET HE3 H 13.754 -5.262 2.258 . . . 1.0 . . . . . . . . . . . . A . 21 MET HE3 . . . . . . . . . rr_2mce 1
. 9 . 2849 . 1 1 21 MET HG2 H 17.063 -4.879 0.776 . . . 1.0 . . . . . . . . . . . . A . 21 MET HG2 . . . . . . . . . rr_2mce 1
. 9 . 2850 . 1 1 21 MET HG3 H 15.393 -4.353 0.687 . . . 1.0 . . . . . . . . . . . . A . 21 MET HG3 . . . . . . . . . rr_2mce 1
. 9 . 2851 . 1 1 21 MET N N 14.619 -6.577 -1.473 . . . 1.0 . . . . . . . . . . . . A . 21 MET N . . . . . . . . . rr_2mce 1
. 9 . 2852 . 1 1 21 MET O O 17.664 -8.323 -0.924 . . . 1.0 . . . . . . . . . . . . A . 21 MET O . . . . . . . . . rr_2mce 1
. 9 . 2853 . 1 1 21 MET SD S 16.016 -4.922 2.921 . . . 1.0 . . . . . . . . . . . . A . 21 MET SD . . . . . . . . . rr_2mce 1
. 10 . 2854 . 1 1 1 ASP C C -15.825 7.588 2.504 . . . 1.0 . . . . . . . . . . . . A . 1 ASP C . . . . . . . . . rr_2mce 1
. 10 . 2855 . 1 1 1 ASP CA C -16.846 8.336 1.643 . . . 1.0 . . . . . . . . . . . . A . 1 ASP CA . . . . . . . . . rr_2mce 1
. 10 . 2856 . 1 1 1 ASP CB C -16.502 8.082 0.174 . . . 1.0 . . . . . . . . . . . . A . 1 ASP CB . . . . . . . . . rr_2mce 1
. 10 . 2857 . 1 1 1 ASP CG C -17.482 7.174 -0.571 . . . 1.0 . . . . . . . . . . . . A . 1 ASP CG . . . . . . . . . rr_2mce 1
. 10 . 2858 . 1 1 1 ASP H1 H -16.388 9.975 2.845 . . . 1.0 . . . . . . . . . . . . A . 1 ASP H1 . . . . . . . . . rr_2mce 1
. 10 . 2859 . 1 1 1 ASP HA H -17.871 8.035 1.857 . . . 1.0 . . . . . . . . . . . . A . 1 ASP HA . . . . . . . . . rr_2mce 1
. 10 . 2860 . 1 1 1 ASP HB2 H -16.453 9.040 -0.343 . . . 1.0 . . . . . . . . . . . . A . 1 ASP HB2 . . . . . . . . . rr_2mce 1
. 10 . 2861 . 1 1 1 ASP HB3 H -15.508 7.640 0.121 . . . 1.0 . . . . . . . . . . . . A . 1 ASP HB3 . . . . . . . . . rr_2mce 1
. 10 . 2862 . 1 1 1 ASP HD2 H -17.048 7.713 -2.324 . . . 1.0 . . . . . . . . . . . . A . 1 ASP HD2 . . . . . . . . . rr_2mce 1
. 10 . 2863 . 1 1 1 ASP N N -16.790 9.754 1.956 . . . 1.0 . . . . . . . . . . . . A . 1 ASP N . . . . . . . . . rr_2mce 1
. 10 . 2864 . 1 1 1 ASP O O -14.827 8.165 2.931 . . . 1.0 . . . . . . . . . . . . A . 1 ASP O . . . . . . . . . rr_2mce 1
. 10 . 2865 . 1 1 1 ASP OD1 O -18.519 6.769 -0.026 . . . 1.0 . . . . . . . . . . . . A . 1 ASP OD1 . . . . . . . . . rr_2mce 1
. 10 . 2866 . 1 1 1 ASP OD2 O -17.139 6.878 -1.780 . . . 1.0 . . . . . . . . . . . . A . 1 ASP OD2 . . . . . . . . . rr_2mce 1
. 10 . 2867 . 1 1 2 ALA C C -14.200 4.814 2.622 . . . 1.0 . . . . . . . . . . . . A . 2 ALA C . . . . . . . . . rr_2mce 1
. 10 . 2868 . 1 1 2 ALA CA C -15.231 5.481 3.533 . . . 1.0 . . . . . . . . . . . . A . 2 ALA CA . . . . . . . . . rr_2mce 1
. 10 . 2869 . 1 1 2 ALA CB C -16.064 4.463 4.315 . . . 1.0 . . . . . . . . . . . . A . 2 ALA CB . . . . . . . . . rr_2mce 1
. 10 . 2870 . 1 1 2 ALA H H -16.926 5.852 2.379 . . . 1.0 . . . . . . . . . . . . A . 2 ALA H . . . . . . . . . rr_2mce 1
. 10 . 2871 . 1 1 2 ALA HA H -14.714 6.129 4.240 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HA . . . . . . . . . rr_2mce 1
. 10 . 2872 . 1 1 2 ALA HB1 H -16.095 4.750 5.365 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HB1 . . . . . . . . . rr_2mce 1
. 10 . 2873 . 1 1 2 ALA HB2 H -17.078 4.438 3.914 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HB2 . . . . . . . . . rr_2mce 1
. 10 . 2874 . 1 1 2 ALA HB3 H -15.612 3.475 4.221 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HB3 . . . . . . . . . rr_2mce 1
. 10 . 2875 . 1 1 2 ALA N N -16.112 6.314 2.731 . . . 1.0 . . . . . . . . . . . . A . 2 ALA N . . . . . . . . . rr_2mce 1
. 10 . 2876 . 1 1 2 ALA O O -13.271 4.164 3.101 . . . 1.0 . . . . . . . . . . . . A . 2 ALA O . . . . . . . . . rr_2mce 1
. 10 . 2877 . 1 1 3 GLY C C -12.154 5.159 0.328 . . . 1.0 . . . . . . . . . . . . A . 3 GLY C . . . . . . . . . rr_2mce 1
. 10 . 2878 . 1 1 3 GLY CA C -13.494 4.420 0.342 . . . 1.0 . . . . . . . . . . . . A . 3 GLY CA . . . . . . . . . rr_2mce 1
. 10 . 2879 . 1 1 3 GLY H H -15.154 5.525 0.943 . . . 1.0 . . . . . . . . . . . . A . 3 GLY H . . . . . . . . . rr_2mce 1
. 10 . 2880 . 1 1 3 GLY HA2 H -13.329 3.366 0.569 . . . 1.0 . . . . . . . . . . . . A . 3 GLY HA2 . . . . . . . . . rr_2mce 1
. 10 . 2881 . 1 1 3 GLY HA3 H -13.949 4.466 -0.647 . . . 1.0 . . . . . . . . . . . . A . 3 GLY HA3 . . . . . . . . . rr_2mce 1
. 10 . 2882 . 1 1 3 GLY N N -14.396 4.995 1.324 . . . 1.0 . . . . . . . . . . . . A . 3 GLY N . . . . . . . . . rr_2mce 1
. 10 . 2883 . 1 1 3 GLY O O -11.259 4.814 -0.441 . . . 1.0 . . . . . . . . . . . . A . 3 GLY O . . . . . . . . . rr_2mce 1
. 10 . 2884 . 1 1 4 HIS C C -9.711 6.090 1.838 . . . 1.0 . . . . . . . . . . . . A . 4 HIS C . . . . . . . . . rr_2mce 1
. 10 . 2885 . 1 1 4 HIS CA C -10.845 6.955 1.283 . . . 1.0 . . . . . . . . . . . . A . 4 HIS CA . . . . . . . . . rr_2mce 1
. 10 . 2886 . 1 1 4 HIS CB C -11.084 8.219 2.109 . . . 1.0 . . . . . . . . . . . . A . 4 HIS CB . . . . . . . . . rr_2mce 1
. 10 . 2887 . 1 1 4 HIS CD2 C -9.387 10.188 2.385 . . . 1.0 . . . . . . . . . . . . A . 4 HIS CD2 . . . . . . . . . rr_2mce 1
. 10 . 2888 . 1 1 4 HIS CE1 C -9.421 10.921 0.324 . . . 1.0 . . . . . . . . . . . . A . 4 HIS CE1 . . . . . . . . . rr_2mce 1
. 10 . 2889 . 1 1 4 HIS CG C -10.248 9.401 1.678 . . . 1.0 . . . . . . . . . . . . A . 4 HIS CG . . . . . . . . . rr_2mce 1
. 10 . 2890 . 1 1 4 HIS H H -12.792 6.438 1.809 . . . 1.0 . . . . . . . . . . . . A . 4 HIS H . . . . . . . . . rr_2mce 1
. 10 . 2891 . 1 1 4 HIS HA H -10.591 7.263 0.268 . . . 1.0 . . . . . . . . . . . . A . 4 HIS HA . . . . . . . . . rr_2mce 1
. 10 . 2892 . 1 1 4 HIS HB2 H -12.138 8.490 2.044 . . . 1.0 . . . . . . . . . . . . A . 4 HIS HB2 . . . . . . . . . rr_2mce 1
. 10 . 2893 . 1 1 4 HIS HB3 H -10.876 8.003 3.156 . . . 1.0 . . . . . . . . . . . . A . 4 HIS HB3 . . . . . . . . . rr_2mce 1
. 10 . 2894 . 1 1 4 HIS HD1 H -10.783 9.522 -0.379 . . . 1.0 . . . . . . . . . . . . A . 4 HIS HD1 . . . . . . . . . rr_2mce 1
. 10 . 2895 . 1 1 4 HIS HD2 H -9.149 10.082 3.443 . . . 1.0 . . . . . . . . . . . . A . 4 HIS HD2 . . . . . . . . . rr_2mce 1
. 10 . 2896 . 1 1 4 HIS HE1 H -9.205 11.518 -0.562 . . . 1.0 . . . . . . . . . . . . A . 4 HIS HE1 . . . . . . . . . rr_2mce 1
. 10 . 2897 . 1 1 4 HIS N N -12.059 6.163 1.187 . . . 1.0 . . . . . . . . . . . . A . 4 HIS N . . . . . . . . . rr_2mce 1
. 10 . 2898 . 1 1 4 HIS ND1 N -10.250 9.888 0.382 . . . 1.0 . . . . . . . . . . . . A . 4 HIS ND1 . . . . . . . . . rr_2mce 1
. 10 . 2899 . 1 1 4 HIS NE2 N -8.887 11.104 1.565 . . . 1.0 . . . . . . . . . . . . A . 4 HIS NE2 . . . . . . . . . rr_2mce 1
. 10 . 2900 . 1 1 4 HIS O O -8.539 6.436 1.704 . . . 1.0 . . . . . . . . . . . . A . 4 HIS O . . . . . . . . . rr_2mce 1
. 10 . 2901 . 1 1 5 GLY C C -8.447 3.235 1.937 . . . 1.0 . . . . . . . . . . . . A . 5 GLY C . . . . . . . . . rr_2mce 1
. 10 . 2902 . 1 1 5 GLY CA C -9.133 4.063 3.025 . . . 1.0 . . . . . . . . . . . . A . 5 GLY CA . . . . . . . . . rr_2mce 1
. 10 . 2903 . 1 1 5 GLY H H -11.058 4.707 2.554 . . . 1.0 . . . . . . . . . . . . A . 5 GLY H . . . . . . . . . rr_2mce 1
. 10 . 2904 . 1 1 5 GLY HA2 H -8.385 4.623 3.586 . . . 1.0 . . . . . . . . . . . . A . 5 GLY HA2 . . . . . . . . . rr_2mce 1
. 10 . 2905 . 1 1 5 GLY HA3 H -9.631 3.400 3.732 . . . 1.0 . . . . . . . . . . . . A . 5 GLY HA3 . . . . . . . . . rr_2mce 1
. 10 . 2906 . 1 1 5 GLY N N -10.101 4.981 2.450 . . . 1.0 . . . . . . . . . . . . A . 5 GLY N . . . . . . . . . rr_2mce 1
. 10 . 2907 . 1 1 5 GLY O O -7.396 2.641 2.173 . . . 1.0 . . . . . . . . . . . . A . 5 GLY O . . . . . . . . . rr_2mce 1
. 10 . 2908 . 1 1 6 GLN C C -7.186 3.062 -0.789 . . . 1.0 . . . . . . . . . . . . A . 6 GLN C . . . . . . . . . rr_2mce 1
. 10 . 2909 . 1 1 6 GLN CA C -8.532 2.477 -0.359 . . . 1.0 . . . . . . . . . . . . A . 6 GLN CA . . . . . . . . . rr_2mce 1
. 10 . 2910 . 1 1 6 GLN CB C -9.521 2.459 -1.525 . . . 1.0 . . . . . . . . . . . . A . 6 GLN CB . . . . . . . . . rr_2mce 1
. 10 . 2911 . 1 1 6 GLN CD C -10.534 0.150 -1.469 . . . 1.0 . . . . . . . . . . . . A . 6 GLN CD . . . . . . . . . rr_2mce 1
. 10 . 2912 . 1 1 6 GLN CG C -10.763 1.635 -1.179 . . . 1.0 . . . . . . . . . . . . A . 6 GLN CG . . . . . . . . . rr_2mce 1
. 10 . 2913 . 1 1 6 GLN H H -9.924 3.709 0.583 . . . 1.0 . . . . . . . . . . . . A . 6 GLN H . . . . . . . . . rr_2mce 1
. 10 . 2914 . 1 1 6 GLN HA H -8.393 1.460 0.008 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HA . . . . . . . . . rr_2mce 1
. 10 . 2915 . 1 1 6 GLN HB2 H -9.815 3.479 -1.774 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HB2 . . . . . . . . . rr_2mce 1
. 10 . 2916 . 1 1 6 GLN HB3 H -9.039 2.042 -2.410 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HB3 . . . . . . . . . rr_2mce 1
. 10 . 2917 . 1 1 6 GLN HE21 H -9.781 -0.050 0.400 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HE21 . . . . . . . . . rr_2mce 1
. 10 . 2918 . 1 1 6 GLN HE22 H -9.809 -1.500 -0.547 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HE22 . . . . . . . . . rr_2mce 1
. 10 . 2919 . 1 1 6 GLN HG2 H -11.012 1.770 -0.127 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HG2 . . . . . . . . . rr_2mce 1
. 10 . 2920 . 1 1 6 GLN HG3 H -11.615 1.994 -1.758 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HG3 . . . . . . . . . rr_2mce 1
. 10 . 2921 . 1 1 6 GLN N N -9.070 3.223 0.767 . . . 1.0 . . . . . . . . . . . . A . 6 GLN N . . . . . . . . . rr_2mce 1
. 10 . 2922 . 1 1 6 GLN NE2 N -9.996 -0.522 -0.455 . . . 1.0 . . . . . . . . . . . . A . 6 GLN NE2 . . . . . . . . . rr_2mce 1
. 10 . 2923 . 1 1 6 GLN O O -6.407 2.399 -1.471 . . . 1.0 . . . . . . . . . . . . A . 6 GLN O . . . . . . . . . rr_2mce 1
. 10 . 2924 . 1 1 6 GLN OE1 O -10.825 -0.352 -2.543 . . . 1.0 . . . . . . . . . . . . A . 6 GLN OE1 . . . . . . . . . rr_2mce 1
. 10 . 2925 . 1 1 7 ILE C C -4.553 4.300 0.014 . . . 1.0 . . . . . . . . . . . . A . 7 ILE C . . . . . . . . . rr_2mce 1
. 10 . 2926 . 1 1 7 ILE CA C -5.717 4.982 -0.708 . . . 1.0 . . . . . . . . . . . . A . 7 ILE CA . . . . . . . . . rr_2mce 1
. 10 . 2927 . 1 1 7 ILE CB C -5.833 6.478 -0.411 . . . 1.0 . . . . . . . . . . . . A . 7 ILE CB . . . . . . . . . rr_2mce 1
. 10 . 2928 . 1 1 7 ILE CD1 C -5.742 8.659 -1.674 . . . 1.0 . . . . . . . . . . . . A . 7 ILE CD1 . . . . . . . . . rr_2mce 1
. 10 . 2929 . 1 1 7 ILE CG1 C -5.069 7.304 -1.448 . . . 1.0 . . . . . . . . . . . . A . 7 ILE CG1 . . . . . . . . . rr_2mce 1
. 10 . 2930 . 1 1 7 ILE CG2 C -5.380 6.791 1.016 . . . 1.0 . . . . . . . . . . . . A . 7 ILE CG2 . . . . . . . . . rr_2mce 1
. 10 . 2931 . 1 1 7 ILE H H -7.595 4.832 0.179 . . . 1.0 . . . . . . . . . . . . A . 7 ILE H . . . . . . . . . rr_2mce 1
. 10 . 2932 . 1 1 7 ILE HA H -5.566 4.877 -1.782 . . . 1.0 . . . . . . . . . . . . A . 7 ILE HA . . . . . . . . . rr_2mce 1
. 10 . 2933 . 1 1 7 ILE HB H -6.883 6.761 -0.485 . . . 1.0 . . . . . . . . . . . . A . 7 ILE HB . . . . . . . . . rr_2mce 1
. 10 . 2934 . 1 1 7 ILE HD11 H -6.055 9.074 -0.717 . . . 1.0 . . . . . . . . . . . . A . 7 ILE HD11 . . . . . . . . . rr_2mce 1
. 10 . 2935 . 1 1 7 ILE HD12 H -5.037 9.340 -2.153 . . . 1.0 . . . . . . . . . . . . A . 7 ILE HD12 . . . . . . . . . rr_2mce 1
. 10 . 2936 . 1 1 7 ILE HD13 H -6.614 8.530 -2.316 . . . 1.0 . . . . . . . . . . . . A . 7 ILE HD13 . . . . . . . . . rr_2mce 1
. 10 . 2937 . 1 1 7 ILE HG12 H -4.042 7.455 -1.115 . . . 1.0 . . . . . . . . . . . . A . 7 ILE HG12 . . . . . . . . . rr_2mce 1
. 10 . 2938 . 1 1 7 ILE HG13 H -5.020 6.757 -2.390 . . . 1.0 . . . . . . . . . . . . A . 7 ILE HG13 . . . . . . . . . rr_2mce 1
. 10 . 2939 . 1 1 7 ILE HG21 H -5.986 6.222 1.722 . . . 1.0 . . . . . . . . . . . . A . 7 ILE HG21 . . . . . . . . . rr_2mce 1
. 10 . 2940 . 1 1 7 ILE HG22 H -4.331 6.516 1.134 . . . 1.0 . . . . . . . . . . . . A . 7 ILE HG22 . . . . . . . . . rr_2mce 1
. 10 . 2941 . 1 1 7 ILE HG23 H -5.500 7.857 1.211 . . . 1.0 . . . . . . . . . . . . A . 7 ILE HG23 . . . . . . . . . rr_2mce 1
. 10 . 2942 . 1 1 7 ILE N N -6.955 4.300 -0.374 . . . 1.0 . . . . . . . . . . . . A . 7 ILE N . . . . . . . . . rr_2mce 1
. 10 . 2943 . 1 1 7 ILE O O -3.402 4.421 -0.404 . . . 1.0 . . . . . . . . . . . . A . 7 ILE O . . . . . . . . . rr_2mce 1
. 10 . 2944 . 1 1 8 SER C C -3.290 1.752 1.050 . . . 1.0 . . . . . . . . . . . . A . 8 SER C . . . . . . . . . rr_2mce 1
. 10 . 2945 . 1 1 8 SER CA C -3.890 2.897 1.870 . . . 1.0 . . . . . . . . . . . . A . 8 SER CA . . . . . . . . . rr_2mce 1
. 10 . 2946 . 1 1 8 SER CB C -4.485 2.361 3.172 . . . 1.0 . . . . . . . . . . . . A . 8 SER CB . . . . . . . . . rr_2mce 1
. 10 . 2947 . 1 1 8 SER H H -5.831 3.505 1.418 . . . 1.0 . . . . . . . . . . . . A . 8 SER H . . . . . . . . . rr_2mce 1
. 10 . 2948 . 1 1 8 SER HA H -3.129 3.643 2.097 . . . 1.0 . . . . . . . . . . . . A . 8 SER HA . . . . . . . . . rr_2mce 1
. 10 . 2949 . 1 1 8 SER HB2 H -5.419 1.842 2.957 . . . 1.0 . . . . . . . . . . . . A . 8 SER HB2 . . . . . . . . . rr_2mce 1
. 10 . 2950 . 1 1 8 SER HB3 H -3.806 1.628 3.607 . . . 1.0 . . . . . . . . . . . . A . 8 SER HB3 . . . . . . . . . rr_2mce 1
. 10 . 2951 . 1 1 8 SER HG H -5.339 4.087 3.721 . . . 1.0 . . . . . . . . . . . . A . 8 SER HG . . . . . . . . . rr_2mce 1
. 10 . 2952 . 1 1 8 SER N N -4.892 3.598 1.084 . . . 1.0 . . . . . . . . . . . . A . 8 SER N . . . . . . . . . rr_2mce 1
. 10 . 2953 . 1 1 8 SER O O -2.208 1.261 1.362 . . . 1.0 . . . . . . . . . . . . A . 8 SER O . . . . . . . . . rr_2mce 1
. 10 . 2954 . 1 1 8 SER OG O -4.727 3.401 4.116 . . . 1.0 . . . . . . . . . . . . A . 8 SER OG . . . . . . . . . rr_2mce 1
. 10 . 2955 . 1 1 9 HIS C C -2.341 0.732 -1.634 . . . 1.0 . . . . . . . . . . . . A . 9 HIS C . . . . . . . . . rr_2mce 1
. 10 . 2956 . 1 1 9 HIS CA C -3.577 0.284 -0.851 . . . 1.0 . . . . . . . . . . . . A . 9 HIS CA . . . . . . . . . rr_2mce 1
. 10 . 2957 . 1 1 9 HIS CB C -4.715 -0.189 -1.759 . . . 1.0 . . . . . . . . . . . . A . 9 HIS CB . . . . . . . . . rr_2mce 1
. 10 . 2958 . 1 1 9 HIS CD2 C -3.784 -2.465 -2.644 . . . 1.0 . . . . . . . . . . . . A . 9 HIS CD2 . . . . . . . . . rr_2mce 1
. 10 . 2959 . 1 1 9 HIS CE1 C -3.937 -2.052 -4.787 . . . 1.0 . . . . . . . . . . . . A . 9 HIS CE1 . . . . . . . . . rr_2mce 1
. 10 . 2960 . 1 1 9 HIS CG C -4.293 -1.209 -2.790 . . . 1.0 . . . . . . . . . . . . A . 9 HIS CG . . . . . . . . . rr_2mce 1
. 10 . 2961 . 1 1 9 HIS H H -4.902 1.767 -0.232 . . . 1.0 . . . . . . . . . . . . A . 9 HIS H . . . . . . . . . rr_2mce 1
. 10 . 2962 . 1 1 9 HIS HA H -3.303 -0.547 -0.202 . . . 1.0 . . . . . . . . . . . . A . 9 HIS HA . . . . . . . . . rr_2mce 1
. 10 . 2963 . 1 1 9 HIS HB2 H -5.504 -0.616 -1.142 . . . 1.0 . . . . . . . . . . . . A . 9 HIS HB2 . . . . . . . . . rr_2mce 1
. 10 . 2964 . 1 1 9 HIS HB3 H -5.140 0.675 -2.269 . . . 1.0 . . . . . . . . . . . . A . 9 HIS HB3 . . . . . . . . . rr_2mce 1
. 10 . 2965 . 1 1 9 HIS HD1 H -4.713 -0.139 -4.583 . . . 1.0 . . . . . . . . . . . . A . 9 HIS HD1 . . . . . . . . . rr_2mce 1
. 10 . 2966 . 1 1 9 HIS HD2 H -3.587 -2.967 -1.697 . . . 1.0 . . . . . . . . . . . . A . 9 HIS HD2 . . . . . . . . . rr_2mce 1
. 10 . 2967 . 1 1 9 HIS HE1 H -3.879 -2.178 -5.869 . . . 1.0 . . . . . . . . . . . . A . 9 HIS HE1 . . . . . . . . . rr_2mce 1
. 10 . 2968 . 1 1 9 HIS N N -4.022 1.361 0.016 . . . 1.0 . . . . . . . . . . . . A . 9 HIS N . . . . . . . . . rr_2mce 1
. 10 . 2969 . 1 1 9 HIS ND1 N -4.378 -0.977 -4.152 . . . 1.0 . . . . . . . . . . . . A . 9 HIS ND1 . . . . . . . . . rr_2mce 1
. 10 . 2970 . 1 1 9 HIS NE2 N -3.571 -2.974 -3.851 . . . 1.0 . . . . . . . . . . . . A . 9 HIS NE2 . . . . . . . . . rr_2mce 1
. 10 . 2971 . 1 1 9 HIS O O -1.631 -0.093 -2.206 . . . 1.0 . . . . . . . . . . . . A . 9 HIS O . . . . . . . . . rr_2mce 1
. 10 . 2972 . 1 1 10 LYS C C 0.299 2.277 -1.572 . . . 1.0 . . . . . . . . . . . . A . 10 LYS C . . . . . . . . . rr_2mce 1
. 10 . 2973 . 1 1 10 LYS CA C -0.984 2.607 -2.337 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CA . . . . . . . . . rr_2mce 1
. 10 . 2974 . 1 1 10 LYS CB C -1.192 4.105 -2.571 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CB . . . . . . . . . rr_2mce 1
. 10 . 2975 . 1 1 10 LYS CD C -1.132 6.390 -1.505 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CD . . . . . . . . . rr_2mce 1
. 10 . 2976 . 1 1 10 LYS CE C 0.086 7.247 -1.853 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CE . . . . . . . . . rr_2mce 1
. 10 . 2977 . 1 1 10 LYS CG C -0.743 4.918 -1.356 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CG . . . . . . . . . rr_2mce 1
. 10 . 2978 . 1 1 10 LYS H H -2.704 2.704 -1.166 . . . 1.0 . . . . . . . . . . . . A . 10 LYS H . . . . . . . . . rr_2mce 1
. 10 . 2979 . 1 1 10 LYS HA H -0.934 2.132 -3.316 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HA . . . . . . . . . rr_2mce 1
. 10 . 2980 . 1 1 10 LYS HB2 H -0.634 4.421 -3.451 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HB2 . . . . . . . . . rr_2mce 1
. 10 . 2981 . 1 1 10 LYS HB3 H -2.245 4.302 -2.775 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HB3 . . . . . . . . . rr_2mce 1
. 10 . 2982 . 1 1 10 LYS HD2 H -1.887 6.492 -2.285 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HD2 . . . . . . . . . rr_2mce 1
. 10 . 2983 . 1 1 10 LYS HD3 H -1.581 6.748 -0.579 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HD3 . . . . . . . . . rr_2mce 1
. 10 . 2984 . 1 1 10 LYS HE2 H 0.996 6.658 -1.742 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HE2 . . . . . . . . . rr_2mce 1
. 10 . 2985 . 1 1 10 LYS HE3 H 0.034 7.559 -2.896 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HE3 . . . . . . . . . rr_2mce 1
. 10 . 2986 . 1 1 10 LYS HG2 H -1.195 4.509 -0.452 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HG2 . . . . . . . . . rr_2mce 1
. 10 . 2987 . 1 1 10 LYS HG3 H 0.338 4.834 -1.237 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HG3 . . . . . . . . . rr_2mce 1
. 10 . 2988 . 1 1 10 LYS HZ1 H 0.865 9.092 -1.275 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HZ1 . . . . . . . . . rr_2mce 1
. 10 . 2989 . 1 1 10 LYS HZ3 H 0.358 8.192 -0.015 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HZ3 . . . . . . . . . rr_2mce 1
. 10 . 2990 . 1 1 10 LYS N N -2.122 2.039 -1.634 . . . 1.0 . . . . . . . . . . . . A . 10 LYS N . . . . . . . . . rr_2mce 1
. 10 . 2991 . 1 1 10 LYS NZ N 0.149 8.438 -0.977 . . . 1.0 . . . . . . . . . . . . A . 10 LYS NZ . . . . . . . . . rr_2mce 1
. 10 . 2992 . 1 1 10 LYS O O 1.395 2.370 -2.122 . . . 1.0 . . . . . . . . . . . . A . 10 LYS O . . . . . . . . . rr_2mce 1
. 10 . 2993 . 1 1 11 ARG C C 1.734 0.137 0.220 . . . 1.0 . . . . . . . . . . . . A . 11 ARG C . . . . . . . . . rr_2mce 1
. 10 . 2994 . 1 1 11 ARG CA C 1.250 1.555 0.531 . . . 1.0 . . . . . . . . . . . . A . 11 ARG CA . . . . . . . . . rr_2mce 1
. 10 . 2995 . 1 1 11 ARG CB C 0.876 1.644 2.012 . . . 1.0 . . . . . . . . . . . . A . 11 ARG CB . . . . . . . . . rr_2mce 1
. 10 . 2996 . 1 1 11 ARG CD C -0.011 3.348 3.647 . . . 1.0 . . . . . . . . . . . . A . 11 ARG CD . . . . . . . . . rr_2mce 1
. 10 . 2997 . 1 1 11 ARG CG C 0.990 3.084 2.520 . . . 1.0 . . . . . . . . . . . . A . 11 ARG CG . . . . . . . . . rr_2mce 1
. 10 . 2998 . 1 1 11 ARG CZ C 0.734 1.960 5.588 . . . 1.0 . . . . . . . . . . . . A . 11 ARG CZ . . . . . . . . . rr_2mce 1
. 10 . 2999 . 1 1 11 ARG H H -0.775 1.825 0.125 . . . 1.0 . . . . . . . . . . . . A . 11 ARG H . . . . . . . . . rr_2mce 1
. 10 . 3000 . 1 1 11 ARG HA H 2.015 2.293 0.289 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HA . . . . . . . . . rr_2mce 1
. 10 . 3001 . 1 1 11 ARG HB2 H -0.142 1.283 2.158 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HB2 . . . . . . . . . rr_2mce 1
. 10 . 3002 . 1 1 11 ARG HB3 H 1.530 0.997 2.596 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HB3 . . . . . . . . . rr_2mce 1
. 10 . 3003 . 1 1 11 ARG HD2 H -0.396 4.366 3.571 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HD2 . . . . . . . . . rr_2mce 1
. 10 . 3004 . 1 1 11 ARG HD3 H -0.864 2.677 3.550 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HD3 . . . . . . . . . rr_2mce 1
. 10 . 3005 . 1 1 11 ARG HE H 1.039 3.951 5.410 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HE . . . . . . . . . rr_2mce 1
. 10 . 3006 . 1 1 11 ARG HG2 H 2.003 3.268 2.878 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HG2 . . . . . . . . . rr_2mce 1
. 10 . 3007 . 1 1 11 ARG HG3 H 0.811 3.778 1.699 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HG3 . . . . . . . . . rr_2mce 1
. 10 . 3008 . 1 1 11 ARG HH11 H -0.242 0.902 4.139 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HH11 . . . . . . . . . rr_2mce 1
. 10 . 3009 . 1 1 11 ARG HH12 H 0.287 -0.031 5.499 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HH12 . . . . . . . . . rr_2mce 1
. 10 . 3010 . 1 1 11 ARG HH22 H 1.449 1.059 7.290 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HH22 . . . . . . . . . rr_2mce 1
. 10 . 3011 . 1 1 11 ARG N N 0.119 1.899 -0.315 . . . 1.0 . . . . . . . . . . . . A . 11 ARG N . . . . . . . . . rr_2mce 1
. 10 . 3012 . 1 1 11 ARG NE N 0.642 3.152 4.960 . . . 1.0 . . . . . . . . . . . . A . 11 ARG NE . . . . . . . . . rr_2mce 1
. 10 . 3013 . 1 1 11 ARG NH1 N 0.214 0.848 5.028 . . . 1.0 . . . . . . . . . . . . A . 11 ARG NH1 . . . . . . . . . rr_2mce 1
. 10 . 3014 . 1 1 11 ARG NH2 N 1.339 1.900 6.760 . . . 1.0 . . . . . . . . . . . . A . 11 ARG NH2 . . . . . . . . . rr_2mce 1
. 10 . 3015 . 1 1 11 ARG O O 2.662 -0.360 0.856 . . . 1.0 . . . . . . . . . . . . A . 11 ARG O . . . . . . . . . rr_2mce 1
. 10 . 3016 . 1 1 12 HIS C C 2.849 -1.834 -1.746 . . . 1.0 . . . . . . . . . . . . A . 12 HIS C . . . . . . . . . rr_2mce 1
. 10 . 3017 . 1 1 12 HIS CA C 1.436 -1.825 -1.162 . . . 1.0 . . . . . . . . . . . . A . 12 HIS CA . . . . . . . . . rr_2mce 1
. 10 . 3018 . 1 1 12 HIS CB C 0.393 -2.394 -2.127 . . . 1.0 . . . . . . . . . . . . A . 12 HIS CB . . . . . . . . . rr_2mce 1
. 10 . 3019 . 1 1 12 HIS CD2 C 0.728 -2.440 -4.719 . . . 1.0 . . . . . . . . . . . . A . 12 HIS CD2 . . . . . . . . . rr_2mce 1
. 10 . 3020 . 1 1 12 HIS CE1 C 0.426 -0.308 -5.109 . . . 1.0 . . . . . . . . . . . . A . 12 HIS CE1 . . . . . . . . . rr_2mce 1
. 10 . 3021 . 1 1 12 HIS CG C 0.477 -1.830 -3.525 . . . 1.0 . . . . . . . . . . . . A . 12 HIS CG . . . . . . . . . rr_2mce 1
. 10 . 3022 . 1 1 12 HIS H H 0.329 -0.063 -1.271 . . . 1.0 . . . . . . . . . . . . A . 12 HIS H . . . . . . . . . rr_2mce 1
. 10 . 3023 . 1 1 12 HIS HA H 1.421 -2.436 -0.259 . . . 1.0 . . . . . . . . . . . . A . 12 HIS HA . . . . . . . . . rr_2mce 1
. 10 . 3024 . 1 1 12 HIS HB2 H 0.510 -3.476 -2.175 . . . 1.0 . . . . . . . . . . . . A . 12 HIS HB2 . . . . . . . . . rr_2mce 1
. 10 . 3025 . 1 1 12 HIS HB3 H -0.602 -2.199 -1.726 . . . 1.0 . . . . . . . . . . . . A . 12 HIS HB3 . . . . . . . . . rr_2mce 1
. 10 . 3026 . 1 1 12 HIS HD1 H 0.089 0.228 -3.134 . . . 1.0 . . . . . . . . . . . . A . 12 HIS HD1 . . . . . . . . . rr_2mce 1
. 10 . 3027 . 1 1 12 HIS HD2 H 0.923 -3.502 -4.862 . . . 1.0 . . . . . . . . . . . . A . 12 HIS HD2 . . . . . . . . . rr_2mce 1
. 10 . 3028 . 1 1 12 HIS HE1 H 0.338 0.641 -5.639 . . . 1.0 . . . . . . . . . . . . A . 12 HIS HE1 . . . . . . . . . rr_2mce 1
. 10 . 3029 . 1 1 12 HIS N N 1.084 -0.475 -0.759 . . . 1.0 . . . . . . . . . . . . A . 12 HIS N . . . . . . . . . rr_2mce 1
. 10 . 3030 . 1 1 12 HIS ND1 N 0.291 -0.486 -3.804 . . . 1.0 . . . . . . . . . . . . A . 12 HIS ND1 . . . . . . . . . rr_2mce 1
. 10 . 3031 . 1 1 12 HIS NE2 N 0.697 -1.519 -5.675 . . . 1.0 . . . . . . . . . . . . A . 12 HIS NE2 . . . . . . . . . rr_2mce 1
. 10 . 3032 . 1 1 12 HIS O O 3.539 -2.851 -1.696 . . . 1.0 . . . . . . . . . . . . A . 12 HIS O . . . . . . . . . rr_2mce 1
. 10 . 3033 . 1 1 13 LYS C C 5.623 -0.841 -1.818 . . . 1.0 . . . . . . . . . . . . A . 13 LYS C . . . . . . . . . rr_2mce 1
. 10 . 3034 . 1 1 13 LYS CA C 4.559 -0.551 -2.879 . . . 1.0 . . . . . . . . . . . . A . 13 LYS CA . . . . . . . . . rr_2mce 1
. 10 . 3035 . 1 1 13 LYS CB C 4.709 0.820 -3.541 . . . 1.0 . . . . . . . . . . . . A . 13 LYS CB . . . . . . . . . rr_2mce 1
. 10 . 3036 . 1 1 13 LYS CD C 4.234 3.203 -2.868 . . . 1.0 . . . . . . . . . . . . A . 13 LYS CD . . . . . . . . . rr_2mce 1
. 10 . 3037 . 1 1 13 LYS CE C 5.031 4.001 -3.902 . . . 1.0 . . . . . . . . . . . . A . 13 LYS CE . . . . . . . . . rr_2mce 1
. 10 . 3038 . 1 1 13 LYS CG C 4.959 1.908 -2.496 . . . 1.0 . . . . . . . . . . . . A . 13 LYS CG . . . . . . . . . rr_2mce 1
. 10 . 3039 . 1 1 13 LYS H H 2.672 0.135 -2.322 . . . 1.0 . . . . . . . . . . . . A . 13 LYS H . . . . . . . . . rr_2mce 1
. 10 . 3040 . 1 1 13 LYS HA H 4.643 -1.300 -3.667 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HA . . . . . . . . . rr_2mce 1
. 10 . 3041 . 1 1 13 LYS HB2 H 5.535 0.796 -4.252 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HB2 . . . . . . . . . rr_2mce 1
. 10 . 3042 . 1 1 13 LYS HB3 H 3.808 1.055 -4.107 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HB3 . . . . . . . . . rr_2mce 1
. 10 . 3043 . 1 1 13 LYS HD2 H 3.247 2.969 -3.266 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HD2 . . . . . . . . . rr_2mce 1
. 10 . 3044 . 1 1 13 LYS HD3 H 4.081 3.809 -1.975 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HD3 . . . . . . . . . rr_2mce 1
. 10 . 3045 . 1 1 13 LYS HE2 H 5.498 3.321 -4.614 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HE2 . . . . . . . . . rr_2mce 1
. 10 . 3046 . 1 1 13 LYS HE3 H 4.359 4.645 -4.470 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HE3 . . . . . . . . . rr_2mce 1
. 10 . 3047 . 1 1 13 LYS HG2 H 4.620 1.565 -1.518 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HG2 . . . . . . . . . rr_2mce 1
. 10 . 3048 . 1 1 13 LYS HG3 H 6.030 2.099 -2.413 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HG3 . . . . . . . . . rr_2mce 1
. 10 . 3049 . 1 1 13 LYS HZ1 H 6.018 4.751 -2.226 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HZ1 . . . . . . . . . rr_2mce 1
. 10 . 3050 . 1 1 13 LYS HZ3 H 5.981 5.805 -3.467 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HZ3 . . . . . . . . . rr_2mce 1
. 10 . 3051 . 1 1 13 LYS N N 3.239 -0.688 -2.286 . . . 1.0 . . . . . . . . . . . . A . 13 LYS N . . . . . . . . . rr_2mce 1
. 10 . 3052 . 1 1 13 LYS NZ N 6.068 4.821 -3.237 . . . 1.0 . . . . . . . . . . . . A . 13 LYS NZ . . . . . . . . . rr_2mce 1
. 10 . 3053 . 1 1 13 LYS O O 6.752 -1.200 -2.148 . . . 1.0 . . . . . . . . . . . . A . 13 LYS O . . . . . . . . . rr_2mce 1
. 10 . 3054 . 1 1 14 THR C C 6.324 -2.418 0.761 . . . 1.0 . . . . . . . . . . . . A . 14 THR C . . . . . . . . . rr_2mce 1
. 10 . 3055 . 1 1 14 THR CA C 6.129 -0.916 0.546 . . . 1.0 . . . . . . . . . . . . A . 14 THR CA . . . . . . . . . rr_2mce 1
. 10 . 3056 . 1 1 14 THR CB C 5.572 -0.194 1.774 . . . 1.0 . . . . . . . . . . . . A . 14 THR CB . . . . . . . . . rr_2mce 1
. 10 . 3057 . 1 1 14 THR CG2 C 4.739 -1.115 2.668 . . . 1.0 . . . . . . . . . . . . A . 14 THR CG2 . . . . . . . . . rr_2mce 1
. 10 . 3058 . 1 1 14 THR H H 4.303 -0.385 -0.305 . . . 1.0 . . . . . . . . . . . . A . 14 THR H . . . . . . . . . rr_2mce 1
. 10 . 3059 . 1 1 14 THR HA H 7.104 -0.501 0.291 . . . 1.0 . . . . . . . . . . . . A . 14 THR HA . . . . . . . . . rr_2mce 1
. 10 . 3060 . 1 1 14 THR HB H 4.999 0.686 1.481 . . . 1.0 . . . . . . . . . . . . A . 14 THR HB . . . . . . . . . rr_2mce 1
. 10 . 3061 . 1 1 14 THR HG1 H 7.257 -0.733 2.708 . . . 1.0 . . . . . . . . . . . . A . 14 THR HG1 . . . . . . . . . rr_2mce 1
. 10 . 3062 . 1 1 14 THR HG21 H 5.392 -1.848 3.142 . . . 1.0 . . . . . . . . . . . . A . 14 THR HG21 . . . . . . . . . rr_2mce 1
. 10 . 3063 . 1 1 14 THR HG22 H 4.240 -0.523 3.435 . . . 1.0 . . . . . . . . . . . . A . 14 THR HG22 . . . . . . . . . rr_2mce 1
. 10 . 3064 . 1 1 14 THR HG23 H 3.993 -1.630 2.063 . . . 1.0 . . . . . . . . . . . . A . 14 THR HG23 . . . . . . . . . rr_2mce 1
. 10 . 3065 . 1 1 14 THR N N 5.224 -0.676 -0.565 . . . 1.0 . . . . . . . . . . . . A . 14 THR N . . . . . . . . . rr_2mce 1
. 10 . 3066 . 1 1 14 THR O O 7.339 -2.845 1.307 . . . 1.0 . . . . . . . . . . . . A . 14 THR O . . . . . . . . . rr_2mce 1
. 10 . 3067 . 1 1 14 THR OG1 O 6.725 0.100 2.558 . . . 1.0 . . . . . . . . . . . . A . 14 THR OG1 . . . . . . . . . rr_2mce 1
. 10 . 3068 . 1 1 15 ASP C C 6.360 -5.198 -0.572 . . . 1.0 . . . . . . . . . . . . A . 15 ASP C . . . . . . . . . rr_2mce 1
. 10 . 3069 . 1 1 15 ASP CA C 5.382 -4.626 0.456 . . . 1.0 . . . . . . . . . . . . A . 15 ASP CA . . . . . . . . . rr_2mce 1
. 10 . 3070 . 1 1 15 ASP CB C 4.009 -5.250 0.201 . . . 1.0 . . . . . . . . . . . . A . 15 ASP CB . . . . . . . . . rr_2mce 1
. 10 . 3071 . 1 1 15 ASP CG C 2.998 -5.076 1.337 . . . 1.0 . . . . . . . . . . . . A . 15 ASP CG . . . . . . . . . rr_2mce 1
. 10 . 3072 . 1 1 15 ASP H H 4.510 -2.825 -0.125 . . . 1.0 . . . . . . . . . . . . A . 15 ASP H . . . . . . . . . rr_2mce 1
. 10 . 3073 . 1 1 15 ASP HA H 5.703 -4.805 1.482 . . . 1.0 . . . . . . . . . . . . A . 15 ASP HA . . . . . . . . . rr_2mce 1
. 10 . 3074 . 1 1 15 ASP HB2 H 3.592 -4.814 -0.707 . . . 1.0 . . . . . . . . . . . . A . 15 ASP HB2 . . . . . . . . . rr_2mce 1
. 10 . 3075 . 1 1 15 ASP HB3 H 4.140 -6.316 0.012 . . . 1.0 . . . . . . . . . . . . A . 15 ASP HB3 . . . . . . . . . rr_2mce 1
. 10 . 3076 . 1 1 15 ASP HD2 H 1.438 -5.806 2.098 . . . 1.0 . . . . . . . . . . . . A . 15 ASP HD2 . . . . . . . . . rr_2mce 1
. 10 . 3077 . 1 1 15 ASP N N 5.333 -3.180 0.320 . . . 1.0 . . . . . . . . . . . . A . 15 ASP N . . . . . . . . . rr_2mce 1
. 10 . 3078 . 1 1 15 ASP O O 6.953 -6.252 -0.350 . . . 1.0 . . . . . . . . . . . . A . 15 ASP O . . . . . . . . . rr_2mce 1
. 10 . 3079 . 1 1 15 ASP OD1 O 3.224 -4.304 2.280 . . . 1.0 . . . . . . . . . . . . A . 15 ASP OD1 . . . . . . . . . rr_2mce 1
. 10 . 3080 . 1 1 15 ASP OD2 O 1.925 -5.784 1.225 . . . 1.0 . . . . . . . . . . . . A . 15 ASP OD2 . . . . . . . . . rr_2mce 1
. 10 . 3081 . 1 1 16 SER C C 8.847 -4.644 -2.332 . . . 1.0 . . . . . . . . . . . . A . 16 SER C . . . . . . . . . rr_2mce 1
. 10 . 3082 . 1 1 16 SER CA C 7.393 -4.901 -2.738 . . . 1.0 . . . . . . . . . . . . A . 16 SER CA . . . . . . . . . rr_2mce 1
. 10 . 3083 . 1 1 16 SER CB C 7.074 -4.179 -4.049 . . . 1.0 . . . . . . . . . . . . A . 16 SER CB . . . . . . . . . rr_2mce 1
. 10 . 3084 . 1 1 16 SER H H 6.012 -3.621 -1.848 . . . 1.0 . . . . . . . . . . . . A . 16 SER H . . . . . . . . . rr_2mce 1
. 10 . 3085 . 1 1 16 SER HA H 7.214 -5.969 -2.859 . . . 1.0 . . . . . . . . . . . . A . 16 SER HA . . . . . . . . . rr_2mce 1
. 10 . 3086 . 1 1 16 SER HB2 H 6.650 -3.198 -3.828 . . . 1.0 . . . . . . . . . . . . A . 16 SER HB2 . . . . . . . . . rr_2mce 1
. 10 . 3087 . 1 1 16 SER HB3 H 7.997 -4.010 -4.604 . . . 1.0 . . . . . . . . . . . . A . 16 SER HB3 . . . . . . . . . rr_2mce 1
. 10 . 3088 . 1 1 16 SER HG H 5.223 -4.638 -4.656 . . . 1.0 . . . . . . . . . . . . A . 16 SER HG . . . . . . . . . rr_2mce 1
. 10 . 3089 . 1 1 16 SER N N 6.498 -4.478 -1.676 . . . 1.0 . . . . . . . . . . . . A . 16 SER N . . . . . . . . . rr_2mce 1
. 10 . 3090 . 1 1 16 SER O O 9.764 -5.263 -2.869 . . . 1.0 . . . . . . . . . . . . A . 16 SER O . . . . . . . . . rr_2mce 1
. 10 . 3091 . 1 1 16 SER OG O 6.161 -4.917 -4.857 . . . 1.0 . . . . . . . . . . . . A . 16 SER OG . . . . . . . . . rr_2mce 1
. 10 . 3092 . 1 1 17 PHE C C 10.885 -4.477 0.018 . . . 1.0 . . . . . . . . . . . . A . 17 PHE C . . . . . . . . . rr_2mce 1
. 10 . 3093 . 1 1 17 PHE CA C 10.335 -3.384 -0.902 . . . 1.0 . . . . . . . . . . . . A . 17 PHE CA . . . . . . . . . rr_2mce 1
. 10 . 3094 . 1 1 17 PHE CB C 10.195 -2.086 -0.103 . . . 1.0 . . . . . . . . . . . . A . 17 PHE CB . . . . . . . . . rr_2mce 1
. 10 . 3095 . 1 1 17 PHE CD1 C 12.482 -1.853 0.890 . . . 1.0 . . . . . . . . . . . . A . 17 PHE CD1 . . . . . . . . . rr_2mce 1
. 10 . 3096 . 1 1 17 PHE CD2 C 10.649 -2.029 2.359 . . . 1.0 . . . . . . . . . . . . A . 17 PHE CD2 . . . . . . . . . rr_2mce 1
. 10 . 3097 . 1 1 17 PHE CE1 C 13.363 -1.759 1.999 . . . 1.0 . . . . . . . . . . . . A . 17 PHE CE1 . . . . . . . . . rr_2mce 1
. 10 . 3098 . 1 1 17 PHE CE2 C 11.530 -1.936 3.469 . . . 1.0 . . . . . . . . . . . . A . 17 PHE CE2 . . . . . . . . . rr_2mce 1
. 10 . 3099 . 1 1 17 PHE CG C 11.143 -1.986 1.093 . . . 1.0 . . . . . . . . . . . . A . 17 PHE CG . . . . . . . . . rr_2mce 1
. 10 . 3100 . 1 1 17 PHE CZ C 12.868 -1.803 3.266 . . . 1.0 . . . . . . . . . . . . A . 17 PHE CZ . . . . . . . . . rr_2mce 1
. 10 . 3101 . 1 1 17 PHE H H 8.258 -3.232 -0.954 . . . 1.0 . . . . . . . . . . . . A . 17 PHE H . . . . . . . . . rr_2mce 1
. 10 . 3102 . 1 1 17 PHE HA H 10.982 -3.284 -1.773 . . . 1.0 . . . . . . . . . . . . A . 17 PHE HA . . . . . . . . . rr_2mce 1
. 10 . 3103 . 1 1 17 PHE HB2 H 10.373 -1.242 -0.768 . . . 1.0 . . . . . . . . . . . . A . 17 PHE HB2 . . . . . . . . . rr_2mce 1
. 10 . 3104 . 1 1 17 PHE HB3 H 9.168 -2.000 0.253 . . . 1.0 . . . . . . . . . . . . A . 17 PHE HB3 . . . . . . . . . rr_2mce 1
. 10 . 3105 . 1 1 17 PHE HD1 H 12.878 -1.818 -0.125 . . . 1.0 . . . . . . . . . . . . A . 17 PHE HD1 . . . . . . . . . rr_2mce 1
. 10 . 3106 . 1 1 17 PHE HD2 H 9.576 -2.136 2.522 . . . 1.0 . . . . . . . . . . . . A . 17 PHE HD2 . . . . . . . . . rr_2mce 1
. 10 . 3107 . 1 1 17 PHE HE1 H 14.435 -1.652 1.837 . . . 1.0 . . . . . . . . . . . . A . 17 PHE HE1 . . . . . . . . . rr_2mce 1
. 10 . 3108 . 1 1 17 PHE HE2 H 11.133 -1.971 4.483 . . . 1.0 . . . . . . . . . . . . A . 17 PHE HE2 . . . . . . . . . rr_2mce 1
. 10 . 3109 . 1 1 17 PHE HZ H 13.543 -1.731 4.118 . . . 1.0 . . . . . . . . . . . . A . 17 PHE HZ . . . . . . . . . rr_2mce 1
. 10 . 3110 . 1 1 17 PHE N N 9.009 -3.730 -1.386 . . . 1.0 . . . . . . . . . . . . A . 17 PHE N . . . . . . . . . rr_2mce 1
. 10 . 3111 . 1 1 17 PHE O O 12.098 -4.600 0.184 . . . 1.0 . . . . . . . . . . . . A . 17 PHE O . . . . . . . . . rr_2mce 1
. 10 . 3112 . 1 1 18 VAL C C 11.060 -7.415 0.690 . . . 1.0 . . . . . . . . . . . . A . 18 VAL C . . . . . . . . . rr_2mce 1
. 10 . 3113 . 1 1 18 VAL CA C 10.346 -6.321 1.486 . . . 1.0 . . . . . . . . . . . . A . 18 VAL CA . . . . . . . . . rr_2mce 1
. 10 . 3114 . 1 1 18 VAL CB C 9.115 -6.834 2.236 . . . 1.0 . . . . . . . . . . . . A . 18 VAL CB . . . . . . . . . rr_2mce 1
. 10 . 3115 . 1 1 18 VAL CG1 C 9.519 -7.761 3.385 . . . 1.0 . . . . . . . . . . . . A . 18 VAL CG1 . . . . . . . . . rr_2mce 1
. 10 . 3116 . 1 1 18 VAL CG2 C 8.260 -5.672 2.746 . . . 1.0 . . . . . . . . . . . . A . 18 VAL CG2 . . . . . . . . . rr_2mce 1
. 10 . 3117 . 1 1 18 VAL H H 8.984 -5.135 0.448 . . . 1.0 . . . . . . . . . . . . A . 18 VAL H . . . . . . . . . rr_2mce 1
. 10 . 3118 . 1 1 18 VAL HA H 11.041 -5.911 2.219 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HA . . . . . . . . . rr_2mce 1
. 10 . 3119 . 1 1 18 VAL HB H 8.513 -7.412 1.536 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HB . . . . . . . . . rr_2mce 1
. 10 . 3120 . 1 1 18 VAL HG11 H 9.904 -8.696 2.978 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HG11 . . . . . . . . . rr_2mce 1
. 10 . 3121 . 1 1 18 VAL HG12 H 10.293 -7.280 3.984 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HG12 . . . . . . . . . rr_2mce 1
. 10 . 3122 . 1 1 18 VAL HG13 H 8.650 -7.966 4.010 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HG13 . . . . . . . . . rr_2mce 1
. 10 . 3123 . 1 1 18 VAL HG21 H 8.194 -5.718 3.832 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HG21 . . . . . . . . . rr_2mce 1
. 10 . 3124 . 1 1 18 VAL HG22 H 8.716 -4.728 2.448 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HG22 . . . . . . . . . rr_2mce 1
. 10 . 3125 . 1 1 18 VAL HG23 H 7.260 -5.743 2.317 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HG23 . . . . . . . . . rr_2mce 1
. 10 . 3126 . 1 1 18 VAL N N 9.967 -5.243 0.589 . . . 1.0 . . . . . . . . . . . . A . 18 VAL N . . . . . . . . . rr_2mce 1
. 10 . 3127 . 1 1 18 VAL O O 11.925 -8.110 1.219 . . . 1.0 . . . . . . . . . . . . A . 18 VAL O . . . . . . . . . rr_2mce 1
. 10 . 3128 . 1 1 19 GLY C C 12.553 -8.011 -2.078 . . . 1.0 . . . . . . . . . . . . A . 19 GLY C . . . . . . . . . rr_2mce 1
. 10 . 3129 . 1 1 19 GLY CA C 11.261 -8.533 -1.447 . . . 1.0 . . . . . . . . . . . . A . 19 GLY CA . . . . . . . . . rr_2mce 1
. 10 . 3130 . 1 1 19 GLY H H 9.965 -6.965 -0.995 . . . 1.0 . . . . . . . . . . . . A . 19 GLY H . . . . . . . . . rr_2mce 1
. 10 . 3131 . 1 1 19 GLY HA2 H 11.469 -9.440 -0.880 . . . 1.0 . . . . . . . . . . . . A . 19 GLY HA2 . . . . . . . . . rr_2mce 1
. 10 . 3132 . 1 1 19 GLY HA3 H 10.551 -8.800 -2.230 . . . 1.0 . . . . . . . . . . . . A . 19 GLY HA3 . . . . . . . . . rr_2mce 1
. 10 . 3133 . 1 1 19 GLY N N 10.669 -7.534 -0.571 . . . 1.0 . . . . . . . . . . . . A . 19 GLY N . . . . . . . . . rr_2mce 1
. 10 . 3134 . 1 1 19 GLY O O 13.208 -8.723 -2.837 . . . 1.0 . . . . . . . . . . . . A . 19 GLY O . . . . . . . . . rr_2mce 1
. 10 . 3135 . 1 1 20 LEU C C 15.254 -6.434 -1.324 . . . 1.0 . . . . . . . . . . . . A . 20 LEU C . . . . . . . . . rr_2mce 1
. 10 . 3136 . 1 1 20 LEU CA C 14.084 -6.147 -2.265 . . . 1.0 . . . . . . . . . . . . A . 20 LEU CA . . . . . . . . . rr_2mce 1
. 10 . 3137 . 1 1 20 LEU CB C 13.847 -4.657 -2.516 . . . 1.0 . . . . . . . . . . . . A . 20 LEU CB . . . . . . . . . rr_2mce 1
. 10 . 3138 . 1 1 20 LEU CD1 C 12.705 -4.634 -4.764 . . . 1.0 . . . . . . . . . . . . A . 20 LEU CD1 . . . . . . . . . rr_2mce 1
. 10 . 3139 . 1 1 20 LEU CD2 C 14.172 -2.689 -4.059 . . . 1.0 . . . . . . . . . . . . A . 20 LEU CD2 . . . . . . . . . rr_2mce 1
. 10 . 3140 . 1 1 20 LEU CG C 13.940 -4.198 -3.973 . . . 1.0 . . . . . . . . . . . . A . 20 LEU CG . . . . . . . . . rr_2mce 1
. 10 . 3141 . 1 1 20 LEU H H 12.343 -6.200 -1.123 . . . 1.0 . . . . . . . . . . . . A . 20 LEU H . . . . . . . . . rr_2mce 1
. 10 . 3142 . 1 1 20 LEU HA H 14.296 -6.606 -3.231 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HA . . . . . . . . . rr_2mce 1
. 10 . 3143 . 1 1 20 LEU HB2 H 12.859 -4.398 -2.136 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HB2 . . . . . . . . . rr_2mce 1
. 10 . 3144 . 1 1 20 LEU HB3 H 14.572 -4.091 -1.930 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HB3 . . . . . . . . . rr_2mce 1
. 10 . 3145 . 1 1 20 LEU HD11 H 13.019 -5.117 -5.689 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HD11 . . . . . . . . . rr_2mce 1
. 10 . 3146 . 1 1 20 LEU HD12 H 12.120 -5.334 -4.168 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HD12 . . . . . . . . . rr_2mce 1
. 10 . 3147 . 1 1 20 LEU HD13 H 12.097 -3.760 -4.999 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HD13 . . . . . . . . . rr_2mce 1
. 10 . 3148 . 1 1 20 LEU HD21 H 13.387 -2.233 -4.662 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HD21 . . . . . . . . . rr_2mce 1
. 10 . 3149 . 1 1 20 LEU HD22 H 14.155 -2.260 -3.056 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HD22 . . . . . . . . . rr_2mce 1
. 10 . 3150 . 1 1 20 LEU HD23 H 15.142 -2.496 -4.518 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HD23 . . . . . . . . . rr_2mce 1
. 10 . 3151 . 1 1 20 LEU HG H 14.803 -4.683 -4.429 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HG . . . . . . . . . rr_2mce 1
. 10 . 3152 . 1 1 20 LEU N N 12.881 -6.772 -1.740 . . . 1.0 . . . . . . . . . . . . A . 20 LEU N . . . . . . . . . rr_2mce 1
. 10 . 3153 . 1 1 20 LEU O O 16.413 -6.395 -1.737 . . . 1.0 . . . . . . . . . . . . A . 20 LEU O . . . . . . . . . rr_2mce 1
. 10 . 3154 . 1 1 21 MET C C 16.575 -8.368 0.668 . . . 1.0 . . . . . . . . . . . . A . 21 MET C . . . . . . . . . rr_2mce 1
. 10 . 3155 . 1 1 21 MET CA C 15.922 -7.011 0.929 . . . 1.0 . . . . . . . . . . . . A . 21 MET CA . . . . . . . . . rr_2mce 1
. 10 . 3156 . 1 1 21 MET CB C 15.277 -7.012 2.316 . . . 1.0 . . . . . . . . . . . . A . 21 MET CB . . . . . . . . . rr_2mce 1
. 10 . 3157 . 1 1 21 MET CE C 16.101 -5.440 5.925 . . . 1.0 . . . . . . . . . . . . A . 21 MET CE . . . . . . . . . rr_2mce 1
. 10 . 3158 . 1 1 21 MET CG C 16.009 -6.059 3.262 . . . 1.0 . . . . . . . . . . . . A . 21 MET CG . . . . . . . . . rr_2mce 1
. 10 . 3159 . 1 1 21 MET H H 13.969 -6.747 0.254 . . . 1.0 . . . . . . . . . . . . A . 21 MET H . . . . . . . . . rr_2mce 1
. 10 . 3160 . 1 1 21 MET HA H 16.664 -6.218 0.837 . . . 1.0 . . . . . . . . . . . . A . 21 MET HA . . . . . . . . . rr_2mce 1
. 10 . 3161 . 1 1 21 MET HB2 H 14.231 -6.717 2.235 . . . 1.0 . . . . . . . . . . . . A . 21 MET HB2 . . . . . . . . . rr_2mce 1
. 10 . 3162 . 1 1 21 MET HB3 H 15.292 -8.021 2.727 . . . 1.0 . . . . . . . . . . . . A . 21 MET HB3 . . . . . . . . . rr_2mce 1
. 10 . 3163 . 1 1 21 MET HE1 H 15.948 -4.502 6.460 . . . 1.0 . . . . . . . . . . . . A . 21 MET HE1 . . . . . . . . . rr_2mce 1
. 10 . 3164 . 1 1 21 MET HE2 H 15.960 -6.276 6.610 . . . 1.0 . . . . . . . . . . . . A . 21 MET HE2 . . . . . . . . . rr_2mce 1
. 10 . 3165 . 1 1 21 MET HE3 H 17.112 -5.465 5.520 . . . 1.0 . . . . . . . . . . . . A . 21 MET HE3 . . . . . . . . . rr_2mce 1
. 10 . 3166 . 1 1 21 MET HG2 H 16.894 -6.547 3.670 . . . 1.0 . . . . . . . . . . . . A . 21 MET HG2 . . . . . . . . . rr_2mce 1
. 10 . 3167 . 1 1 21 MET HG3 H 16.353 -5.181 2.715 . . . 1.0 . . . . . . . . . . . . A . 21 MET HG3 . . . . . . . . . rr_2mce 1
. 10 . 3168 . 1 1 21 MET N N 14.913 -6.717 -0.075 . . . 1.0 . . . . . . . . . . . . A . 21 MET N . . . . . . . . . rr_2mce 1
. 10 . 3169 . 1 1 21 MET O O 17.769 -8.544 0.910 . . . 1.0 . . . . . . . . . . . . A . 21 MET O . . . . . . . . . rr_2mce 1
. 10 . 3170 . 1 1 21 MET SD S 14.922 -5.561 4.589 . . . 1.0 . . . . . . . . . . . . A . 21 MET SD . . . . . . . . . rr_2mce 1
. 11 . 3171 . 1 1 1 ASP C C -15.206 5.555 4.315 . . . 1.0 . . . . . . . . . . . . A . 1 ASP C . . . . . . . . . rr_2mce 1
. 11 . 3172 . 1 1 1 ASP CA C -16.518 6.327 4.165 . . . 1.0 . . . . . . . . . . . . A . 1 ASP CA . . . . . . . . . rr_2mce 1
. 11 . 3173 . 1 1 1 ASP CB C -17.463 5.874 5.279 . . . 1.0 . . . . . . . . . . . . A . 1 ASP CB . . . . . . . . . rr_2mce 1
. 11 . 3174 . 1 1 1 ASP CG C -18.134 7.007 6.058 . . . 1.0 . . . . . . . . . . . . A . 1 ASP CG . . . . . . . . . rr_2mce 1
. 11 . 3175 . 1 1 1 ASP H1 H -17.729 5.294 2.822 . . . 1.0 . . . . . . . . . . . . A . 1 ASP H1 . . . . . . . . . rr_2mce 1
. 11 . 3176 . 1 1 1 ASP HA H -16.372 7.407 4.199 . . . 1.0 . . . . . . . . . . . . A . 1 ASP HA . . . . . . . . . rr_2mce 1
. 11 . 3177 . 1 1 1 ASP HB2 H -18.239 5.244 4.843 . . . 1.0 . . . . . . . . . . . . A . 1 ASP HB2 . . . . . . . . . rr_2mce 1
. 11 . 3178 . 1 1 1 ASP HB3 H -16.904 5.253 5.980 . . . 1.0 . . . . . . . . . . . . A . 1 ASP HB3 . . . . . . . . . rr_2mce 1
. 11 . 3179 . 1 1 1 ASP HD2 H -19.940 6.734 5.595 . . . 1.0 . . . . . . . . . . . . A . 1 ASP HD2 . . . . . . . . . rr_2mce 1
. 11 . 3180 . 1 1 1 ASP N N -17.087 6.060 2.855 . . . 1.0 . . . . . . . . . . . . A . 1 ASP N . . . . . . . . . rr_2mce 1
. 11 . 3181 . 1 1 1 ASP O O -14.189 6.122 4.710 . . . 1.0 . . . . . . . . . . . . A . 1 ASP O . . . . . . . . . rr_2mce 1
. 11 . 3182 . 1 1 1 ASP OD1 O -17.522 8.052 6.321 . . . 1.0 . . . . . . . . . . . . A . 1 ASP OD1 . . . . . . . . . rr_2mce 1
. 11 . 3183 . 1 1 1 ASP OD2 O -19.357 6.781 6.405 . . . 1.0 . . . . . . . . . . . . A . 1 ASP OD2 . . . . . . . . . rr_2mce 1
. 11 . 3184 . 1 1 2 ALA C C -13.349 3.441 2.752 . . . 1.0 . . . . . . . . . . . . A . 2 ALA C . . . . . . . . . rr_2mce 1
. 11 . 3185 . 1 1 2 ALA CA C -14.103 3.415 4.084 . . . 1.0 . . . . . . . . . . . . A . 2 ALA CA . . . . . . . . . rr_2mce 1
. 11 . 3186 . 1 1 2 ALA CB C -14.534 2.003 4.482 . . . 1.0 . . . . . . . . . . . . A . 2 ALA CB . . . . . . . . . rr_2mce 1
. 11 . 3187 . 1 1 2 ALA H H -16.103 3.817 3.669 . . . 1.0 . . . . . . . . . . . . A . 2 ALA H . . . . . . . . . rr_2mce 1
. 11 . 3188 . 1 1 2 ALA HA H -13.457 3.819 4.864 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HA . . . . . . . . . rr_2mce 1
. 11 . 3189 . 1 1 2 ALA HB1 H -13.652 1.405 4.715 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HB1 . . . . . . . . . rr_2mce 1
. 11 . 3190 . 1 1 2 ALA HB2 H -15.181 2.054 5.357 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HB2 . . . . . . . . . rr_2mce 1
. 11 . 3191 . 1 1 2 ALA HB3 H -15.076 1.542 3.655 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HB3 . . . . . . . . . rr_2mce 1
. 11 . 3192 . 1 1 2 ALA N N -15.272 4.271 3.990 . . . 1.0 . . . . . . . . . . . . A . 2 ALA N . . . . . . . . . rr_2mce 1
. 11 . 3193 . 1 1 2 ALA O O -12.256 2.887 2.642 . . . 1.0 . . . . . . . . . . . . A . 2 ALA O . . . . . . . . . rr_2mce 1
. 11 . 3194 . 1 1 3 GLY C C -12.178 5.164 0.466 . . . 1.0 . . . . . . . . . . . . A . 3 GLY C . . . . . . . . . rr_2mce 1
. 11 . 3195 . 1 1 3 GLY CA C -13.364 4.197 0.455 . . . 1.0 . . . . . . . . . . . . A . 3 GLY CA . . . . . . . . . rr_2mce 1
. 11 . 3196 . 1 1 3 GLY H H -14.851 4.539 1.872 . . . 1.0 . . . . . . . . . . . . A . 3 GLY H . . . . . . . . . rr_2mce 1
. 11 . 3197 . 1 1 3 GLY HA2 H -13.032 3.214 0.122 . . . 1.0 . . . . . . . . . . . . A . 3 GLY HA2 . . . . . . . . . rr_2mce 1
. 11 . 3198 . 1 1 3 GLY HA3 H -14.110 4.541 -0.261 . . . 1.0 . . . . . . . . . . . . A . 3 GLY HA3 . . . . . . . . . rr_2mce 1
. 11 . 3199 . 1 1 3 GLY N N -13.962 4.092 1.774 . . . 1.0 . . . . . . . . . . . . A . 3 GLY N . . . . . . . . . rr_2mce 1
. 11 . 3200 . 1 1 3 GLY O O -11.540 5.382 -0.562 . . . 1.0 . . . . . . . . . . . . A . 3 GLY O . . . . . . . . . rr_2mce 1
. 11 . 3201 . 1 1 4 HIS C C -9.505 5.888 1.938 . . . 1.0 . . . . . . . . . . . . A . 4 HIS C . . . . . . . . . rr_2mce 1
. 11 . 3202 . 1 1 4 HIS CA C -10.821 6.656 1.802 . . . 1.0 . . . . . . . . . . . . A . 4 HIS CA . . . . . . . . . rr_2mce 1
. 11 . 3203 . 1 1 4 HIS CB C -11.081 7.601 2.977 . . . 1.0 . . . . . . . . . . . . A . 4 HIS CB . . . . . . . . . rr_2mce 1
. 11 . 3204 . 1 1 4 HIS CD2 C -10.718 9.693 1.452 . . . 1.0 . . . . . . . . . . . . A . 4 HIS CD2 . . . . . . . . . rr_2mce 1
. 11 . 3205 . 1 1 4 HIS CE1 C -10.594 11.207 3.026 . . . 1.0 . . . . . . . . . . . . A . 4 HIS CE1 . . . . . . . . . rr_2mce 1
. 11 . 3206 . 1 1 4 HIS CG C -10.867 9.059 2.651 . . . 1.0 . . . . . . . . . . . . A . 4 HIS CG . . . . . . . . . rr_2mce 1
. 11 . 3207 . 1 1 4 HIS H H -12.443 5.534 2.474 . . . 1.0 . . . . . . . . . . . . A . 4 HIS H . . . . . . . . . rr_2mce 1
. 11 . 3208 . 1 1 4 HIS HA H -10.789 7.257 0.892 . . . 1.0 . . . . . . . . . . . . A . 4 HIS HA . . . . . . . . . rr_2mce 1
. 11 . 3209 . 1 1 4 HIS HB2 H -12.105 7.463 3.322 . . . 1.0 . . . . . . . . . . . . A . 4 HIS HB2 . . . . . . . . . rr_2mce 1
. 11 . 3210 . 1 1 4 HIS HB3 H -10.426 7.324 3.803 . . . 1.0 . . . . . . . . . . . . A . 4 HIS HB3 . . . . . . . . . rr_2mce 1
. 11 . 3211 . 1 1 4 HIS HD1 H -10.853 9.894 4.610 . . . 1.0 . . . . . . . . . . . . A . 4 HIS HD1 . . . . . . . . . rr_2mce 1
. 11 . 3212 . 1 1 4 HIS HD2 H -10.732 9.214 0.473 . . . 1.0 . . . . . . . . . . . . A . 4 HIS HD2 . . . . . . . . . rr_2mce 1
. 11 . 3213 . 1 1 4 HIS HE1 H -10.488 12.172 3.522 . . . 1.0 . . . . . . . . . . . . A . 4 HIS HE1 . . . . . . . . . rr_2mce 1
. 11 . 3214 . 1 1 4 HIS N N -11.918 5.718 1.642 . . . 1.0 . . . . . . . . . . . . A . 4 HIS N . . . . . . . . . rr_2mce 1
. 11 . 3215 . 1 1 4 HIS ND1 N -10.783 10.040 3.624 . . . 1.0 . . . . . . . . . . . . A . 4 HIS ND1 . . . . . . . . . rr_2mce 1
. 11 . 3216 . 1 1 4 HIS NE2 N -10.555 10.990 1.679 . . . 1.0 . . . . . . . . . . . . A . 4 HIS NE2 . . . . . . . . . rr_2mce 1
. 11 . 3217 . 1 1 4 HIS O O -8.428 6.467 1.807 . . . 1.0 . . . . . . . . . . . . A . 4 HIS O . . . . . . . . . rr_2mce 1
. 11 . 3218 . 1 1 5 GLY C C -7.920 3.312 0.990 . . . 1.0 . . . . . . . . . . . . A . 5 GLY C . . . . . . . . . rr_2mce 1
. 11 . 3219 . 1 1 5 GLY CA C -8.469 3.742 2.352 . . . 1.0 . . . . . . . . . . . . A . 5 GLY CA . . . . . . . . . rr_2mce 1
. 11 . 3220 . 1 1 5 GLY H H -10.515 4.132 2.301 . . . 1.0 . . . . . . . . . . . . A . 5 GLY H . . . . . . . . . rr_2mce 1
. 11 . 3221 . 1 1 5 GLY HA2 H -7.697 4.273 2.908 . . . 1.0 . . . . . . . . . . . . A . 5 GLY HA2 . . . . . . . . . rr_2mce 1
. 11 . 3222 . 1 1 5 GLY HA3 H -8.734 2.861 2.936 . . . 1.0 . . . . . . . . . . . . A . 5 GLY HA3 . . . . . . . . . rr_2mce 1
. 11 . 3223 . 1 1 5 GLY N N -9.636 4.596 2.197 . . . 1.0 . . . . . . . . . . . . A . 5 GLY N . . . . . . . . . rr_2mce 1
. 11 . 3224 . 1 1 5 GLY O O -6.778 2.865 0.890 . . . 1.0 . . . . . . . . . . . . A . 5 GLY O . . . . . . . . . rr_2mce 1
. 11 . 3225 . 1 1 6 GLN C C -7.178 3.933 -1.833 . . . 1.0 . . . . . . . . . . . . A . 6 GLN C . . . . . . . . . rr_2mce 1
. 11 . 3226 . 1 1 6 GLN CA C -8.372 3.093 -1.375 . . . 1.0 . . . . . . . . . . . . A . 6 GLN CA . . . . . . . . . rr_2mce 1
. 11 . 3227 . 1 1 6 GLN CB C -9.548 3.241 -2.343 . . . 1.0 . . . . . . . . . . . . A . 6 GLN CB . . . . . . . . . rr_2mce 1
. 11 . 3228 . 1 1 6 GLN CD C -10.928 2.103 -4.122 . . . 1.0 . . . . . . . . . . . . A . 6 GLN CD . . . . . . . . . rr_2mce 1
. 11 . 3229 . 1 1 6 GLN CG C -9.820 1.928 -3.079 . . . 1.0 . . . . . . . . . . . . A . 6 GLN CG . . . . . . . . . rr_2mce 1
. 11 . 3230 . 1 1 6 GLN H H -9.686 3.824 0.065 . . . 1.0 . . . . . . . . . . . . A . 6 GLN H . . . . . . . . . rr_2mce 1
. 11 . 3231 . 1 1 6 GLN HA H -8.086 2.043 -1.320 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HA . . . . . . . . . rr_2mce 1
. 11 . 3232 . 1 1 6 GLN HB2 H -10.440 3.545 -1.793 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HB2 . . . . . . . . . rr_2mce 1
. 11 . 3233 . 1 1 6 GLN HB3 H -9.335 4.029 -3.064 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HB3 . . . . . . . . . rr_2mce 1
. 11 . 3234 . 1 1 6 GLN HE21 H -12.290 1.944 -2.633 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HE21 . . . . . . . . . rr_2mce 1
. 11 . 3235 . 1 1 6 GLN HE22 H -12.949 2.179 -4.217 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HE22 . . . . . . . . . rr_2mce 1
. 11 . 3236 . 1 1 6 GLN HG2 H -8.909 1.585 -3.567 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HG2 . . . . . . . . . rr_2mce 1
. 11 . 3237 . 1 1 6 GLN HG3 H -10.109 1.158 -2.364 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HG3 . . . . . . . . . rr_2mce 1
. 11 . 3238 . 1 1 6 GLN N N -8.759 3.460 -0.024 . . . 1.0 . . . . . . . . . . . . A . 6 GLN N . . . . . . . . . rr_2mce 1
. 11 . 3239 . 1 1 6 GLN NE2 N -12.157 2.073 -3.616 . . . 1.0 . . . . . . . . . . . . A . 6 GLN NE2 . . . . . . . . . rr_2mce 1
. 11 . 3240 . 1 1 6 GLN O O -6.473 3.559 -2.770 . . . 1.0 . . . . . . . . . . . . A . 6 GLN O . . . . . . . . . rr_2mce 1
. 11 . 3241 . 1 1 6 GLN OE1 O -10.681 2.257 -5.307 . . . 1.0 . . . . . . . . . . . . A . 6 GLN OE1 . . . . . . . . . rr_2mce 1
. 11 . 3242 . 1 1 7 ILE C C -4.600 5.416 -0.848 . . . 1.0 . . . . . . . . . . . . A . 7 ILE C . . . . . . . . . rr_2mce 1
. 11 . 3243 . 1 1 7 ILE CA C -5.890 5.948 -1.474 . . . 1.0 . . . . . . . . . . . . A . 7 ILE CA . . . . . . . . . rr_2mce 1
. 11 . 3244 . 1 1 7 ILE CB C -6.229 7.382 -1.061 . . . 1.0 . . . . . . . . . . . . A . 7 ILE CB . . . . . . . . . rr_2mce 1
. 11 . 3245 . 1 1 7 ILE CD1 C -8.281 8.846 -1.008 . . . 1.0 . . . . . . . . . . . . A . 7 ILE CD1 . . . . . . . . . rr_2mce 1
. 11 . 3246 . 1 1 7 ILE CG1 C -7.416 7.917 -1.864 . . . 1.0 . . . . . . . . . . . . A . 7 ILE CG1 . . . . . . . . . rr_2mce 1
. 11 . 3247 . 1 1 7 ILE CG2 C -5.003 8.291 -1.177 . . . 1.0 . . . . . . . . . . . . A . 7 ILE CG2 . . . . . . . . . rr_2mce 1
. 11 . 3248 . 1 1 7 ILE H H -7.563 5.349 -0.390 . . . 1.0 . . . . . . . . . . . . A . 7 ILE H . . . . . . . . . rr_2mce 1
. 11 . 3249 . 1 1 7 ILE HA H -5.773 5.945 -2.559 . . . 1.0 . . . . . . . . . . . . A . 7 ILE HA . . . . . . . . . rr_2mce 1
. 11 . 3250 . 1 1 7 ILE HB H -6.525 7.374 -0.013 . . . 1.0 . . . . . . . . . . . . A . 7 ILE HB . . . . . . . . . rr_2mce 1
. 11 . 3251 . 1 1 7 ILE HD11 H -9.312 8.810 -1.362 . . . 1.0 . . . . . . . . . . . . A . 7 ILE HD11 . . . . . . . . . rr_2mce 1
. 11 . 3252 . 1 1 7 ILE HD12 H -8.242 8.523 0.031 . . . 1.0 . . . . . . . . . . . . A . 7 ILE HD12 . . . . . . . . . rr_2mce 1
. 11 . 3253 . 1 1 7 ILE HD13 H -7.905 9.866 -1.087 . . . 1.0 . . . . . . . . . . . . A . 7 ILE HD13 . . . . . . . . . rr_2mce 1
. 11 . 3254 . 1 1 7 ILE HG12 H -7.054 8.456 -2.740 . . . 1.0 . . . . . . . . . . . . A . 7 ILE HG12 . . . . . . . . . rr_2mce 1
. 11 . 3255 . 1 1 7 ILE HG13 H -8.019 7.085 -2.227 . . . 1.0 . . . . . . . . . . . . A . 7 ILE HG13 . . . . . . . . . rr_2mce 1
. 11 . 3256 . 1 1 7 ILE HG21 H -4.271 8.009 -0.420 . . . 1.0 . . . . . . . . . . . . A . 7 ILE HG21 . . . . . . . . . rr_2mce 1
. 11 . 3257 . 1 1 7 ILE HG22 H -4.561 8.181 -2.167 . . . 1.0 . . . . . . . . . . . . A . 7 ILE HG22 . . . . . . . . . rr_2mce 1
. 11 . 3258 . 1 1 7 ILE HG23 H -5.303 9.327 -1.025 . . . 1.0 . . . . . . . . . . . . A . 7 ILE HG23 . . . . . . . . . rr_2mce 1
. 11 . 3259 . 1 1 7 ILE N N -6.986 5.053 -1.150 . . . 1.0 . . . . . . . . . . . . A . 7 ILE N . . . . . . . . . rr_2mce 1
. 11 . 3260 . 1 1 7 ILE O O -3.505 5.834 -1.222 . . . 1.0 . . . . . . . . . . . . A . 7 ILE O . . . . . . . . . rr_2mce 1
. 11 . 3261 . 1 1 8 SER C C -3.087 2.736 -0.038 . . . 1.0 . . . . . . . . . . . . A . 8 SER C . . . . . . . . . rr_2mce 1
. 11 . 3262 . 1 1 8 SER CA C -3.634 3.909 0.779 . . . 1.0 . . . . . . . . . . . . A . 8 SER CA . . . . . . . . . rr_2mce 1
. 11 . 3263 . 1 1 8 SER CB C -4.017 3.444 2.185 . . . 1.0 . . . . . . . . . . . . A . 8 SER CB . . . . . . . . . rr_2mce 1
. 11 . 3264 . 1 1 8 SER H H -5.665 4.168 0.395 . . . 1.0 . . . . . . . . . . . . A . 8 SER H . . . . . . . . . rr_2mce 1
. 11 . 3265 . 1 1 8 SER HA H -2.892 4.704 0.850 . . . 1.0 . . . . . . . . . . . . A . 8 SER HA . . . . . . . . . rr_2mce 1
. 11 . 3266 . 1 1 8 SER HB2 H -5.099 3.502 2.304 . . . 1.0 . . . . . . . . . . . . A . 8 SER HB2 . . . . . . . . . rr_2mce 1
. 11 . 3267 . 1 1 8 SER HB3 H -3.740 2.397 2.310 . . . 1.0 . . . . . . . . . . . . A . 8 SER HB3 . . . . . . . . . rr_2mce 1
. 11 . 3268 . 1 1 8 SER HG H -4.062 4.806 3.650 . . . 1.0 . . . . . . . . . . . . A . 8 SER HG . . . . . . . . . rr_2mce 1
. 11 . 3269 . 1 1 8 SER N N -4.771 4.502 0.096 . . . 1.0 . . . . . . . . . . . . A . 8 SER N . . . . . . . . . rr_2mce 1
. 11 . 3270 . 1 1 8 SER O O -2.233 1.990 0.438 . . . 1.0 . . . . . . . . . . . . A . 8 SER O . . . . . . . . . rr_2mce 1
. 11 . 3271 . 1 1 8 SER OG O -3.387 4.225 3.197 . . . 1.0 . . . . . . . . . . . . A . 8 SER OG . . . . . . . . . rr_2mce 1
. 11 . 3272 . 1 1 9 HIS C C -1.767 1.832 -2.653 . . . 1.0 . . . . . . . . . . . . A . 9 HIS C . . . . . . . . . rr_2mce 1
. 11 . 3273 . 1 1 9 HIS CA C -3.179 1.540 -2.137 . . . 1.0 . . . . . . . . . . . . A . 9 HIS CA . . . . . . . . . rr_2mce 1
. 11 . 3274 . 1 1 9 HIS CB C -4.191 1.334 -3.265 . . . 1.0 . . . . . . . . . . . . A . 9 HIS CB . . . . . . . . . rr_2mce 1
. 11 . 3275 . 1 1 9 HIS CD2 C -3.494 3.397 -4.710 . . . 1.0 . . . . . . . . . . . . A . 9 HIS CD2 . . . . . . . . . rr_2mce 1
. 11 . 3276 . 1 1 9 HIS CE1 C -3.589 2.446 -6.678 . . . 1.0 . . . . . . . . . . . . A . 9 HIS CE1 . . . . . . . . . rr_2mce 1
. 11 . 3277 . 1 1 9 HIS CG C -3.869 2.099 -4.527 . . . 1.0 . . . . . . . . . . . . A . 9 HIS CG . . . . . . . . . rr_2mce 1
. 11 . 3278 . 1 1 9 HIS H H -4.299 3.220 -1.629 . . . 1.0 . . . . . . . . . . . . A . 9 HIS H . . . . . . . . . rr_2mce 1
. 11 . 3279 . 1 1 9 HIS HA H -3.156 0.628 -1.540 . . . 1.0 . . . . . . . . . . . . A . 9 HIS HA . . . . . . . . . rr_2mce 1
. 11 . 3280 . 1 1 9 HIS HB2 H -4.245 0.271 -3.501 . . . 1.0 . . . . . . . . . . . . A . 9 HIS HB2 . . . . . . . . . rr_2mce 1
. 11 . 3281 . 1 1 9 HIS HB3 H -5.178 1.632 -2.913 . . . 1.0 . . . . . . . . . . . . A . 9 HIS HB3 . . . . . . . . . rr_2mce 1
. 11 . 3282 . 1 1 9 HIS HD1 H -4.168 0.577 -5.986 . . . 1.0 . . . . . . . . . . . . A . 9 HIS HD1 . . . . . . . . . rr_2mce 1
. 11 . 3283 . 1 1 9 HIS HD2 H -3.356 4.138 -3.922 . . . 1.0 . . . . . . . . . . . . A . 9 HIS HD2 . . . . . . . . . rr_2mce 1
. 11 . 3284 . 1 1 9 HIS HE1 H -3.537 2.303 -7.758 . . . 1.0 . . . . . . . . . . . . A . 9 HIS HE1 . . . . . . . . . rr_2mce 1
. 11 . 3285 . 1 1 9 HIS N N -3.604 2.609 -1.251 . . . 1.0 . . . . . . . . . . . . A . 9 HIS N . . . . . . . . . rr_2mce 1
. 11 . 3286 . 1 1 9 HIS ND1 N -3.921 1.526 -5.785 . . . 1.0 . . . . . . . . . . . . A . 9 HIS ND1 . . . . . . . . . rr_2mce 1
. 11 . 3287 . 1 1 9 HIS NE2 N -3.324 3.606 -6.009 . . . 1.0 . . . . . . . . . . . . A . 9 HIS NE2 . . . . . . . . . rr_2mce 1
. 11 . 3288 . 1 1 9 HIS O O -1.068 0.926 -3.103 . . . 1.0 . . . . . . . . . . . . A . 9 HIS O . . . . . . . . . rr_2mce 1
. 11 . 3289 . 1 1 10 LYS C C 0.964 3.152 -1.967 . . . 1.0 . . . . . . . . . . . . A . 10 LYS C . . . . . . . . . rr_2mce 1
. 11 . 3290 . 1 1 10 LYS CA C -0.079 3.523 -3.024 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CA . . . . . . . . . rr_2mce 1
. 11 . 3291 . 1 1 10 LYS CB C -0.088 5.009 -3.384 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CB . . . . . . . . . rr_2mce 1
. 11 . 3292 . 1 1 10 LYS CD C 0.093 6.049 -5.675 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CD . . . . . . . . . rr_2mce 1
. 11 . 3293 . 1 1 10 LYS CE C 1.000 6.283 -6.883 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CE . . . . . . . . . rr_2mce 1
. 11 . 3294 . 1 1 10 LYS CG C 0.835 5.293 -4.570 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CG . . . . . . . . . rr_2mce 1
. 11 . 3295 . 1 1 10 LYS H H -1.969 3.830 -2.204 . . . 1.0 . . . . . . . . . . . . A . 10 LYS H . . . . . . . . . rr_2mce 1
. 11 . 3296 . 1 1 10 LYS HA H 0.146 2.972 -3.937 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HA . . . . . . . . . rr_2mce 1
. 11 . 3297 . 1 1 10 LYS HB2 H -1.104 5.323 -3.626 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HB2 . . . . . . . . . rr_2mce 1
. 11 . 3298 . 1 1 10 LYS HB3 H 0.229 5.598 -2.522 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HB3 . . . . . . . . . rr_2mce 1
. 11 . 3299 . 1 1 10 LYS HD2 H -0.786 5.481 -5.979 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HD2 . . . . . . . . . rr_2mce 1
. 11 . 3300 . 1 1 10 LYS HD3 H -0.261 7.005 -5.290 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HD3 . . . . . . . . . rr_2mce 1
. 11 . 3301 . 1 1 10 LYS HE2 H 1.890 6.833 -6.577 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HE2 . . . . . . . . . rr_2mce 1
. 11 . 3302 . 1 1 10 LYS HE3 H 1.339 5.326 -7.283 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HE3 . . . . . . . . . rr_2mce 1
. 11 . 3303 . 1 1 10 LYS HG2 H 1.692 5.878 -4.237 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HG2 . . . . . . . . . rr_2mce 1
. 11 . 3304 . 1 1 10 LYS HG3 H 1.224 4.354 -4.965 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HG3 . . . . . . . . . rr_2mce 1
. 11 . 3305 . 1 1 10 LYS HZ1 H 0.819 7.105 -8.790 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HZ1 . . . . . . . . . rr_2mce 1
. 11 . 3306 . 1 1 10 LYS HZ3 H 0.071 7.987 -7.643 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HZ3 . . . . . . . . . rr_2mce 1
. 11 . 3307 . 1 1 10 LYS N N -1.393 3.100 -2.571 . . . 1.0 . . . . . . . . . . . . A . 10 LYS N . . . . . . . . . rr_2mce 1
. 11 . 3308 . 1 1 10 LYS NZ N 0.280 7.038 -7.934 . . . 1.0 . . . . . . . . . . . . A . 10 LYS NZ . . . . . . . . . rr_2mce 1
. 11 . 3309 . 1 1 10 LYS O O 2.153 3.066 -2.267 . . . 1.0 . . . . . . . . . . . . A . 10 LYS O . . . . . . . . . rr_2mce 1
. 11 . 3310 . 1 1 11 ARG C C 1.663 1.088 0.319 . . . 1.0 . . . . . . . . . . . . A . 11 ARG C . . . . . . . . . rr_2mce 1
. 11 . 3311 . 1 1 11 ARG CA C 1.354 2.586 0.351 . . . 1.0 . . . . . . . . . . . . A . 11 ARG CA . . . . . . . . . rr_2mce 1
. 11 . 3312 . 1 1 11 ARG CB C 0.717 2.938 1.698 . . . 1.0 . . . . . . . . . . . . A . 11 ARG CB . . . . . . . . . rr_2mce 1
. 11 . 3313 . 1 1 11 ARG CD C 0.139 5.363 1.312 . . . 1.0 . . . . . . . . . . . . A . 11 ARG CD . . . . . . . . . rr_2mce 1
. 11 . 3314 . 1 1 11 ARG CG C 1.025 4.386 2.087 . . . 1.0 . . . . . . . . . . . . A . 11 ARG CG . . . . . . . . . rr_2mce 1
. 11 . 3315 . 1 1 11 ARG CZ C -1.346 7.297 1.866 . . . 1.0 . . . . . . . . . . . . A . 11 ARG CZ . . . . . . . . . rr_2mce 1
. 11 . 3316 . 1 1 11 ARG H H -0.489 3.018 -0.516 . . . 1.0 . . . . . . . . . . . . A . 11 ARG H . . . . . . . . . rr_2mce 1
. 11 . 3317 . 1 1 11 ARG HA H 2.257 3.176 0.195 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HA . . . . . . . . . rr_2mce 1
. 11 . 3318 . 1 1 11 ARG HB2 H -0.362 2.795 1.641 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HB2 . . . . . . . . . rr_2mce 1
. 11 . 3319 . 1 1 11 ARG HB3 H 1.090 2.264 2.468 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HB3 . . . . . . . . . rr_2mce 1
. 11 . 3320 . 1 1 11 ARG HD2 H 0.746 5.941 0.615 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HD2 . . . . . . . . . rr_2mce 1
. 11 . 3321 . 1 1 11 ARG HD3 H -0.591 4.812 0.718 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HD3 . . . . . . . . . rr_2mce 1
. 11 . 3322 . 1 1 11 ARG HE H -0.432 6.117 3.231 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HE . . . . . . . . . rr_2mce 1
. 11 . 3323 . 1 1 11 ARG HG2 H 0.868 4.519 3.158 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HG2 . . . . . . . . . rr_2mce 1
. 11 . 3324 . 1 1 11 ARG HG3 H 2.074 4.604 1.889 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HG3 . . . . . . . . . rr_2mce 1
. 11 . 3325 . 1 1 11 ARG HH11 H -1.110 6.981 -0.138 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HH11 . . . . . . . . . rr_2mce 1
. 11 . 3326 . 1 1 11 ARG HH12 H -2.134 8.313 0.280 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HH12 . . . . . . . . . rr_2mce 1
. 11 . 3327 . 1 1 11 ARG HH22 H -2.515 8.821 2.591 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HH22 . . . . . . . . . rr_2mce 1
. 11 . 3328 . 1 1 11 ARG N N 0.480 2.945 -0.752 . . . 1.0 . . . . . . . . . . . . A . 11 ARG N . . . . . . . . . rr_2mce 1
. 11 . 3329 . 1 1 11 ARG NE N -0.556 6.272 2.250 . . . 1.0 . . . . . . . . . . . . A . 11 ARG NE . . . . . . . . . rr_2mce 1
. 11 . 3330 . 1 1 11 ARG NH1 N -1.548 7.552 0.557 . . . 1.0 . . . . . . . . . . . . A . 11 ARG NH1 . . . . . . . . . rr_2mce 1
. 11 . 3331 . 1 1 11 ARG NH2 N -1.917 8.045 2.792 . . . 1.0 . . . . . . . . . . . . A . 11 ARG NH2 . . . . . . . . . rr_2mce 1
. 11 . 3332 . 1 1 11 ARG O O 2.310 0.564 1.224 . . . 1.0 . . . . . . . . . . . . A . 11 ARG O . . . . . . . . . rr_2mce 1
. 11 . 3333 . 1 1 12 HIS C C 2.763 -1.226 -1.561 . . . 1.0 . . . . . . . . . . . . A . 12 HIS C . . . . . . . . . rr_2mce 1
. 11 . 3334 . 1 1 12 HIS CA C 1.405 -0.987 -0.898 . . . 1.0 . . . . . . . . . . . . A . 12 HIS CA . . . . . . . . . rr_2mce 1
. 11 . 3335 . 1 1 12 HIS CB C 0.248 -1.628 -1.667 . . . 1.0 . . . . . . . . . . . . A . 12 HIS CB . . . . . . . . . rr_2mce 1
. 11 . 3336 . 1 1 12 HIS CD2 C -2.065 -2.602 -0.935 . . . 1.0 . . . . . . . . . . . . A . 12 HIS CD2 . . . . . . . . . rr_2mce 1
. 11 . 3337 . 1 1 12 HIS CE1 C -2.571 -1.102 0.574 . . . 1.0 . . . . . . . . . . . . A . 12 HIS CE1 . . . . . . . . . rr_2mce 1
. 11 . 3338 . 1 1 12 HIS CG C -1.043 -1.699 -0.887 . . . 1.0 . . . . . . . . . . . . A . 12 HIS CG . . . . . . . . . rr_2mce 1
. 11 . 3339 . 1 1 12 HIS H H 0.663 0.875 -1.468 . . . 1.0 . . . . . . . . . . . . A . 12 HIS H . . . . . . . . . rr_2mce 1
. 11 . 3340 . 1 1 12 HIS HA H 1.418 -1.417 0.104 . . . 1.0 . . . . . . . . . . . . A . 12 HIS HA . . . . . . . . . rr_2mce 1
. 11 . 3341 . 1 1 12 HIS HB2 H 0.076 -1.062 -2.582 . . . 1.0 . . . . . . . . . . . . A . 12 HIS HB2 . . . . . . . . . rr_2mce 1
. 11 . 3342 . 1 1 12 HIS HB3 H 0.538 -2.636 -1.963 . . . 1.0 . . . . . . . . . . . . A . 12 HIS HB3 . . . . . . . . . rr_2mce 1
. 11 . 3343 . 1 1 12 HIS HD1 H -0.845 0.028 0.343 . . . 1.0 . . . . . . . . . . . . A . 12 HIS HD1 . . . . . . . . . rr_2mce 1
. 11 . 3344 . 1 1 12 HIS HD2 H -2.115 -3.473 -1.589 . . . 1.0 . . . . . . . . . . . . A . 12 HIS HD2 . . . . . . . . . rr_2mce 1
. 11 . 3345 . 1 1 12 HIS HE1 H -3.115 -0.562 1.351 . . . 1.0 . . . . . . . . . . . . A . 12 HIS HE1 . . . . . . . . . rr_2mce 1
. 11 . 3346 . 1 1 12 HIS N N 1.188 0.441 -0.735 . . . 1.0 . . . . . . . . . . . . A . 12 HIS N . . . . . . . . . rr_2mce 1
. 11 . 3347 . 1 1 12 HIS ND1 N -1.391 -0.766 0.073 . . . 1.0 . . . . . . . . . . . . A . 12 HIS ND1 . . . . . . . . . rr_2mce 1
. 11 . 3348 . 1 1 12 HIS NE2 N -2.987 -2.239 -0.052 . . . 1.0 . . . . . . . . . . . . A . 12 HIS NE2 . . . . . . . . . rr_2mce 1
. 11 . 3349 . 1 1 12 HIS O O 3.265 -2.349 -1.567 . . . 1.0 . . . . . . . . . . . . A . 12 HIS O . . . . . . . . . rr_2mce 1
. 11 . 3350 . 1 1 13 LYS C C 5.685 -0.585 -1.741 . . . 1.0 . . . . . . . . . . . . A . 13 LYS C . . . . . . . . . rr_2mce 1
. 11 . 3351 . 1 1 13 LYS CA C 4.608 -0.232 -2.768 . . . 1.0 . . . . . . . . . . . . A . 13 LYS CA . . . . . . . . . rr_2mce 1
. 11 . 3352 . 1 1 13 LYS CB C 4.893 1.058 -3.540 . . . 1.0 . . . . . . . . . . . . A . 13 LYS CB . . . . . . . . . rr_2mce 1
. 11 . 3353 . 1 1 13 LYS CD C 5.883 3.368 -3.326 . . . 1.0 . . . . . . . . . . . . A . 13 LYS CD . . . . . . . . . rr_2mce 1
. 11 . 3354 . 1 1 13 LYS CE C 6.206 4.517 -2.369 . . . 1.0 . . . . . . . . . . . . A . 13 LYS CE . . . . . . . . . rr_2mce 1
. 11 . 3355 . 1 1 13 LYS CG C 5.211 2.210 -2.584 . . . 1.0 . . . . . . . . . . . . A . 13 LYS CG . . . . . . . . . rr_2mce 1
. 11 . 3356 . 1 1 13 LYS H H 2.902 0.756 -2.096 . . . 1.0 . . . . . . . . . . . . A . 13 LYS H . . . . . . . . . rr_2mce 1
. 11 . 3357 . 1 1 13 LYS HA H 4.549 -1.039 -3.499 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HA . . . . . . . . . rr_2mce 1
. 11 . 3358 . 1 1 13 LYS HB2 H 5.732 0.902 -4.219 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HB2 . . . . . . . . . rr_2mce 1
. 11 . 3359 . 1 1 13 LYS HB3 H 4.031 1.317 -4.154 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HB3 . . . . . . . . . rr_2mce 1
. 11 . 3360 . 1 1 13 LYS HD2 H 6.799 3.017 -3.802 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HD2 . . . . . . . . . rr_2mce 1
. 11 . 3361 . 1 1 13 LYS HD3 H 5.228 3.724 -4.121 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HD3 . . . . . . . . . rr_2mce 1
. 11 . 3362 . 1 1 13 LYS HE2 H 5.579 5.378 -2.601 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HE2 . . . . . . . . . rr_2mce 1
. 11 . 3363 . 1 1 13 LYS HE3 H 5.974 4.222 -1.345 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HE3 . . . . . . . . . rr_2mce 1
. 11 . 3364 . 1 1 13 LYS HG2 H 4.292 2.559 -2.113 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HG2 . . . . . . . . . rr_2mce 1
. 11 . 3365 . 1 1 13 LYS HG3 H 5.864 1.856 -1.787 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HG3 . . . . . . . . . rr_2mce 1
. 11 . 3366 . 1 1 13 LYS HZ1 H 7.869 5.240 -3.396 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HZ1 . . . . . . . . . rr_2mce 1
. 11 . 3367 . 1 1 13 LYS HZ3 H 8.247 4.105 -2.292 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HZ3 . . . . . . . . . rr_2mce 1
. 11 . 3368 . 1 1 13 LYS N N 3.318 -0.153 -2.105 . . . 1.0 . . . . . . . . . . . . A . 13 LYS N . . . . . . . . . rr_2mce 1
. 11 . 3369 . 1 1 13 LYS NZ N 7.634 4.892 -2.473 . . . 1.0 . . . . . . . . . . . . A . 13 LYS NZ . . . . . . . . . rr_2mce 1
. 11 . 3370 . 1 1 13 LYS O O 6.733 -1.123 -2.095 . . . 1.0 . . . . . . . . . . . . A . 13 LYS O . . . . . . . . . rr_2mce 1
. 11 . 3371 . 1 1 14 THR C C 6.321 -2.039 0.925 . . . 1.0 . . . . . . . . . . . . A . 14 THR C . . . . . . . . . rr_2mce 1
. 11 . 3372 . 1 1 14 THR CA C 6.320 -0.545 0.592 . . . 1.0 . . . . . . . . . . . . A . 14 THR CA . . . . . . . . . rr_2mce 1
. 11 . 3373 . 1 1 14 THR CB C 5.942 0.342 1.780 . . . 1.0 . . . . . . . . . . . . A . 14 THR CB . . . . . . . . . rr_2mce 1
. 11 . 3374 . 1 1 14 THR CG2 C 6.027 1.834 1.448 . . . 1.0 . . . . . . . . . . . . A . 14 THR CG2 . . . . . . . . . rr_2mce 1
. 11 . 3375 . 1 1 14 THR H H 4.535 0.170 -0.209 . . . 1.0 . . . . . . . . . . . . A . 14 THR H . . . . . . . . . rr_2mce 1
. 11 . 3376 . 1 1 14 THR HA H 7.325 -0.292 0.255 . . . 1.0 . . . . . . . . . . . . A . 14 THR HA . . . . . . . . . rr_2mce 1
. 11 . 3377 . 1 1 14 THR HB H 6.548 0.102 2.654 . . . 1.0 . . . . . . . . . . . . A . 14 THR HB . . . . . . . . . rr_2mce 1
. 11 . 3378 . 1 1 14 THR HG1 H 4.270 0.385 2.879 . . . 1.0 . . . . . . . . . . . . A . 14 THR HG1 . . . . . . . . . rr_2mce 1
. 11 . 3379 . 1 1 14 THR HG21 H 6.146 1.959 0.372 . . . 1.0 . . . . . . . . . . . . A . 14 THR HG21 . . . . . . . . . rr_2mce 1
. 11 . 3380 . 1 1 14 THR HG22 H 5.114 2.330 1.774 . . . 1.0 . . . . . . . . . . . . A . 14 THR HG22 . . . . . . . . . rr_2mce 1
. 11 . 3381 . 1 1 14 THR HG23 H 6.883 2.271 1.962 . . . 1.0 . . . . . . . . . . . . A . 14 THR HG23 . . . . . . . . . rr_2mce 1
. 11 . 3382 . 1 1 14 THR N N 5.390 -0.268 -0.489 . . . 1.0 . . . . . . . . . . . . A . 14 THR N . . . . . . . . . rr_2mce 1
. 11 . 3383 . 1 1 14 THR O O 7.298 -2.558 1.462 . . . 1.0 . . . . . . . . . . . . A . 14 THR O . . . . . . . . . rr_2mce 1
. 11 . 3384 . 1 1 14 THR OG1 O 4.548 0.106 1.960 . . . 1.0 . . . . . . . . . . . . A . 14 THR OG1 . . . . . . . . . rr_2mce 1
. 11 . 3385 . 1 1 15 ASP C C 5.909 -4.892 -0.166 . . . 1.0 . . . . . . . . . . . . A . 15 ASP C . . . . . . . . . rr_2mce 1
. 11 . 3386 . 1 1 15 ASP CA C 5.075 -4.110 0.850 . . . 1.0 . . . . . . . . . . . . A . 15 ASP CA . . . . . . . . . rr_2mce 1
. 11 . 3387 . 1 1 15 ASP CB C 3.618 -4.556 0.709 . . . 1.0 . . . . . . . . . . . . A . 15 ASP CB . . . . . . . . . rr_2mce 1
. 11 . 3388 . 1 1 15 ASP CG C 2.725 -4.233 1.910 . . . 1.0 . . . . . . . . . . . . A . 15 ASP CG . . . . . . . . . rr_2mce 1
. 11 . 3389 . 1 1 15 ASP H H 4.423 -2.257 0.158 . . . 1.0 . . . . . . . . . . . . A . 15 ASP H . . . . . . . . . rr_2mce 1
. 11 . 3390 . 1 1 15 ASP HA H 5.425 -4.252 1.874 . . . 1.0 . . . . . . . . . . . . A . 15 ASP HA . . . . . . . . . rr_2mce 1
. 11 . 3391 . 1 1 15 ASP HB2 H 3.194 -4.085 -0.177 . . . 1.0 . . . . . . . . . . . . A . 15 ASP HB2 . . . . . . . . . rr_2mce 1
. 11 . 3392 . 1 1 15 ASP HB3 H 3.598 -5.632 0.539 . . . 1.0 . . . . . . . . . . . . A . 15 ASP HB3 . . . . . . . . . rr_2mce 1
. 11 . 3393 . 1 1 15 ASP HD2 H 1.422 -2.934 2.309 . . . 1.0 . . . . . . . . . . . . A . 15 ASP HD2 . . . . . . . . . rr_2mce 1
. 11 . 3394 . 1 1 15 ASP N N 5.214 -2.687 0.594 . . . 1.0 . . . . . . . . . . . . A . 15 ASP N . . . . . . . . . rr_2mce 1
. 11 . 3395 . 1 1 15 ASP O O 6.368 -5.996 0.120 . . . 1.0 . . . . . . . . . . . . A . 15 ASP O . . . . . . . . . rr_2mce 1
. 11 . 3396 . 1 1 15 ASP OD1 O 3.065 -4.543 3.061 . . . 1.0 . . . . . . . . . . . . A . 15 ASP OD1 . . . . . . . . . rr_2mce 1
. 11 . 3397 . 1 1 15 ASP OD2 O 1.621 -3.631 1.620 . . . 1.0 . . . . . . . . . . . . A . 15 ASP OD2 . . . . . . . . . rr_2mce 1
. 11 . 3398 . 1 1 16 SER C C 8.345 -4.826 -2.076 . . . 1.0 . . . . . . . . . . . . A . 16 SER C . . . . . . . . . rr_2mce 1
. 11 . 3399 . 1 1 16 SER CA C 6.851 -4.912 -2.394 . . . 1.0 . . . . . . . . . . . . A . 16 SER CA . . . . . . . . . rr_2mce 1
. 11 . 3400 . 1 1 16 SER CB C 6.558 -4.259 -3.746 . . . 1.0 . . . . . . . . . . . . A . 16 SER CB . . . . . . . . . rr_2mce 1
. 11 . 3401 . 1 1 16 SER H H 5.704 -3.388 -1.557 . . . 1.0 . . . . . . . . . . . . A . 16 SER H . . . . . . . . . rr_2mce 1
. 11 . 3402 . 1 1 16 SER HA H 6.524 -5.952 -2.414 . . . 1.0 . . . . . . . . . . . . A . 16 SER HA . . . . . . . . . rr_2mce 1
. 11 . 3403 . 1 1 16 SER HB2 H 6.029 -3.320 -3.587 . . . 1.0 . . . . . . . . . . . . A . 16 SER HB2 . . . . . . . . . rr_2mce 1
. 11 . 3404 . 1 1 16 SER HB3 H 7.497 -4.016 -4.242 . . . 1.0 . . . . . . . . . . . . A . 16 SER HB3 . . . . . . . . . rr_2mce 1
. 11 . 3405 . 1 1 16 SER HG H 6.327 -5.889 -4.885 . . . 1.0 . . . . . . . . . . . . A . 16 SER HG . . . . . . . . . rr_2mce 1
. 11 . 3406 . 1 1 16 SER N N 6.080 -4.287 -1.332 . . . 1.0 . . . . . . . . . . . . A . 16 SER N . . . . . . . . . rr_2mce 1
. 11 . 3407 . 1 1 16 SER O O 9.139 -5.610 -2.593 . . . 1.0 . . . . . . . . . . . . A . 16 SER O . . . . . . . . . rr_2mce 1
. 11 . 3408 . 1 1 16 SER OG O 5.781 -5.105 -4.590 . . . 1.0 . . . . . . . . . . . . A . 16 SER OG . . . . . . . . . rr_2mce 1
. 11 . 3409 . 1 1 17 PHE C C 10.517 -4.748 0.155 . . . 1.0 . . . . . . . . . . . . A . 17 PHE C . . . . . . . . . rr_2mce 1
. 11 . 3410 . 1 1 17 PHE CA C 10.067 -3.669 -0.832 . . . 1.0 . . . . . . . . . . . . A . 17 PHE CA . . . . . . . . . rr_2mce 1
. 11 . 3411 . 1 1 17 PHE CB C 10.146 -2.304 -0.148 . . . 1.0 . . . . . . . . . . . . A . 17 PHE CB . . . . . . . . . rr_2mce 1
. 11 . 3412 . 1 1 17 PHE CD1 C 11.933 -1.092 -1.418 . . . 1.0 . . . . . . . . . . . . A . 17 PHE CD1 . . . . . . . . . rr_2mce 1
. 11 . 3413 . 1 1 17 PHE CD2 C 9.735 -0.254 -1.525 . . . 1.0 . . . . . . . . . . . . A . 17 PHE CD2 . . . . . . . . . rr_2mce 1
. 11 . 3414 . 1 1 17 PHE CE1 C 12.374 -0.045 -2.270 . . . 1.0 . . . . . . . . . . . . A . 17 PHE CE1 . . . . . . . . . rr_2mce 1
. 11 . 3415 . 1 1 17 PHE CE2 C 10.175 0.795 -2.376 . . . 1.0 . . . . . . . . . . . . A . 17 PHE CE2 . . . . . . . . . rr_2mce 1
. 11 . 3416 . 1 1 17 PHE CG C 10.622 -1.175 -1.064 . . . 1.0 . . . . . . . . . . . . A . 17 PHE CG . . . . . . . . . rr_2mce 1
. 11 . 3417 . 1 1 17 PHE CZ C 11.486 0.877 -2.729 . . . 1.0 . . . . . . . . . . . . A . 17 PHE CZ . . . . . . . . . rr_2mce 1
. 11 . 3418 . 1 1 17 PHE H H 8.030 -3.235 -0.809 . . . 1.0 . . . . . . . . . . . . A . 17 PHE H . . . . . . . . . rr_2mce 1
. 11 . 3419 . 1 1 17 PHE HA H 10.672 -3.732 -1.737 . . . 1.0 . . . . . . . . . . . . A . 17 PHE HA . . . . . . . . . rr_2mce 1
. 11 . 3420 . 1 1 17 PHE HB2 H 9.162 -2.048 0.245 . . . 1.0 . . . . . . . . . . . . A . 17 PHE HB2 . . . . . . . . . rr_2mce 1
. 11 . 3421 . 1 1 17 PHE HB3 H 10.822 -2.375 0.705 . . . 1.0 . . . . . . . . . . . . A . 17 PHE HB3 . . . . . . . . . rr_2mce 1
. 11 . 3422 . 1 1 17 PHE HD1 H 12.644 -1.832 -1.049 . . . 1.0 . . . . . . . . . . . . A . 17 PHE HD1 . . . . . . . . . rr_2mce 1
. 11 . 3423 . 1 1 17 PHE HD2 H 8.683 -0.320 -1.241 . . . 1.0 . . . . . . . . . . . . A . 17 PHE HD2 . . . . . . . . . rr_2mce 1
. 11 . 3424 . 1 1 17 PHE HE1 H 13.424 0.021 -2.553 . . . 1.0 . . . . . . . . . . . . A . 17 PHE HE1 . . . . . . . . . rr_2mce 1
. 11 . 3425 . 1 1 17 PHE HE2 H 9.464 1.533 -2.746 . . . 1.0 . . . . . . . . . . . . A . 17 PHE HE2 . . . . . . . . . rr_2mce 1
. 11 . 3426 . 1 1 17 PHE HZ H 11.825 1.681 -3.383 . . . 1.0 . . . . . . . . . . . . A . 17 PHE HZ . . . . . . . . . rr_2mce 1
. 11 . 3427 . 1 1 17 PHE N N 8.682 -3.868 -1.225 . . . 1.0 . . . . . . . . . . . . A . 17 PHE N . . . . . . . . . rr_2mce 1
. 11 . 3428 . 1 1 17 PHE O O 11.710 -5.016 0.287 . . . 1.0 . . . . . . . . . . . . A . 17 PHE O . . . . . . . . . rr_2mce 1
. 11 . 3429 . 1 1 18 VAL C C 10.377 -7.610 1.070 . . . 1.0 . . . . . . . . . . . . A . 18 VAL C . . . . . . . . . rr_2mce 1
. 11 . 3430 . 1 1 18 VAL CA C 9.817 -6.384 1.793 . . . 1.0 . . . . . . . . . . . . A . 18 VAL CA . . . . . . . . . rr_2mce 1
. 11 . 3431 . 1 1 18 VAL CB C 8.558 -6.693 2.607 . . . 1.0 . . . . . . . . . . . . A . 18 VAL CB . . . . . . . . . rr_2mce 1
. 11 . 3432 . 1 1 18 VAL CG1 C 8.898 -7.515 3.851 . . . 1.0 . . . . . . . . . . . . A . 18 VAL CG1 . . . . . . . . . rr_2mce 1
. 11 . 3433 . 1 1 18 VAL CG2 C 7.819 -5.408 2.982 . . . 1.0 . . . . . . . . . . . . A . 18 VAL CG2 . . . . . . . . . rr_2mce 1
. 11 . 3434 . 1 1 18 VAL H H 8.568 -5.117 0.708 . . . 1.0 . . . . . . . . . . . . A . 18 VAL H . . . . . . . . . rr_2mce 1
. 11 . 3435 . 1 1 18 VAL HA H 10.575 -6.003 2.476 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HA . . . . . . . . . rr_2mce 1
. 11 . 3436 . 1 1 18 VAL HB H 7.895 -7.291 1.982 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HB . . . . . . . . . rr_2mce 1
. 11 . 3437 . 1 1 18 VAL HG11 H 8.338 -7.130 4.705 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HG11 . . . . . . . . . rr_2mce 1
. 11 . 3438 . 1 1 18 VAL HG12 H 8.632 -8.558 3.683 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HG12 . . . . . . . . . rr_2mce 1
. 11 . 3439 . 1 1 18 VAL HG13 H 9.966 -7.441 4.055 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HG13 . . . . . . . . . rr_2mce 1
. 11 . 3440 . 1 1 18 VAL HG21 H 7.234 -5.062 2.130 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HG21 . . . . . . . . . rr_2mce 1
. 11 . 3441 . 1 1 18 VAL HG22 H 7.153 -5.604 3.823 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HG22 . . . . . . . . . rr_2mce 1
. 11 . 3442 . 1 1 18 VAL HG23 H 8.542 -4.642 3.263 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HG23 . . . . . . . . . rr_2mce 1
. 11 . 3443 . 1 1 18 VAL N N 9.537 -5.340 0.823 . . . 1.0 . . . . . . . . . . . . A . 18 VAL N . . . . . . . . . rr_2mce 1
. 11 . 3444 . 1 1 18 VAL O O 11.171 -8.361 1.636 . . . 1.0 . . . . . . . . . . . . A . 18 VAL O . . . . . . . . . rr_2mce 1
. 11 . 3445 . 1 1 19 GLY C C 11.721 -8.582 -1.666 . . . 1.0 . . . . . . . . . . . . A . 19 GLY C . . . . . . . . . rr_2mce 1
. 11 . 3446 . 1 1 19 GLY CA C 10.392 -8.899 -0.977 . . . 1.0 . . . . . . . . . . . . A . 19 GLY CA . . . . . . . . . rr_2mce 1
. 11 . 3447 . 1 1 19 GLY H H 9.297 -7.161 -0.624 . . . 1.0 . . . . . . . . . . . . A . 19 GLY H . . . . . . . . . rr_2mce 1
. 11 . 3448 . 1 1 19 GLY HA2 H 10.505 -9.781 -0.347 . . . 1.0 . . . . . . . . . . . . A . 19 GLY HA2 . . . . . . . . . rr_2mce 1
. 11 . 3449 . 1 1 19 GLY HA3 H 9.637 -9.137 -1.727 . . . 1.0 . . . . . . . . . . . . A . 19 GLY HA3 . . . . . . . . . rr_2mce 1
. 11 . 3450 . 1 1 19 GLY N N 9.943 -7.776 -0.171 . . . 1.0 . . . . . . . . . . . . A . 19 GLY N . . . . . . . . . rr_2mce 1
. 11 . 3451 . 1 1 19 GLY O O 12.271 -9.422 -2.376 . . . 1.0 . . . . . . . . . . . . A . 19 GLY O . . . . . . . . . rr_2mce 1
. 11 . 3452 . 1 1 20 LEU C C 14.603 -7.280 -1.076 . . . 1.0 . . . . . . . . . . . . A . 20 LEU C . . . . . . . . . rr_2mce 1
. 11 . 3453 . 1 1 20 LEU CA C 13.451 -6.930 -2.021 . . . 1.0 . . . . . . . . . . . . A . 20 LEU CA . . . . . . . . . rr_2mce 1
. 11 . 3454 . 1 1 20 LEU CB C 13.383 -5.445 -2.384 . . . 1.0 . . . . . . . . . . . . A . 20 LEU CB . . . . . . . . . rr_2mce 1
. 11 . 3455 . 1 1 20 LEU CD1 C 11.774 -4.666 -4.162 . . . 1.0 . . . . . . . . . . . . A . 20 LEU CD1 . . . . . . . . . rr_2mce 1
. 11 . 3456 . 1 1 20 LEU CD2 C 14.242 -4.106 -4.341 . . . 1.0 . . . . . . . . . . . . A . 20 LEU CD2 . . . . . . . . . rr_2mce 1
. 11 . 3457 . 1 1 20 LEU CG C 13.203 -5.127 -3.870 . . . 1.0 . . . . . . . . . . . . A . 20 LEU CG . . . . . . . . . rr_2mce 1
. 11 . 3458 . 1 1 20 LEU H H 11.743 -6.691 -0.853 . . . 1.0 . . . . . . . . . . . . A . 20 LEU H . . . . . . . . . rr_2mce 1
. 11 . 3459 . 1 1 20 LEU HA H 13.587 -7.484 -2.950 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HA . . . . . . . . . rr_2mce 1
. 11 . 3460 . 1 1 20 LEU HB2 H 12.557 -4.995 -1.833 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HB2 . . . . . . . . . rr_2mce 1
. 11 . 3461 . 1 1 20 LEU HB3 H 14.298 -4.965 -2.037 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HB3 . . . . . . . . . rr_2mce 1
. 11 . 3462 . 1 1 20 LEU HD11 H 11.744 -3.577 -4.201 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HD11 . . . . . . . . . rr_2mce 1
. 11 . 3463 . 1 1 20 LEU HD12 H 11.451 -5.073 -5.121 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HD12 . . . . . . . . . rr_2mce 1
. 11 . 3464 . 1 1 20 LEU HD13 H 11.110 -5.021 -3.375 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HD13 . . . . . . . . . rr_2mce 1
. 11 . 3465 . 1 1 20 LEU HD21 H 15.196 -4.609 -4.506 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HD21 . . . . . . . . . rr_2mce 1
. 11 . 3466 . 1 1 20 LEU HD22 H 13.906 -3.649 -5.271 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HD22 . . . . . . . . . rr_2mce 1
. 11 . 3467 . 1 1 20 LEU HD23 H 14.365 -3.335 -3.581 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HD23 . . . . . . . . . rr_2mce 1
. 11 . 3468 . 1 1 20 LEU HG H 13.370 -6.041 -4.439 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HG . . . . . . . . . rr_2mce 1
. 11 . 3469 . 1 1 20 LEU N N 12.197 -7.368 -1.431 . . . 1.0 . . . . . . . . . . . . A . 20 LEU N . . . . . . . . . rr_2mce 1
. 11 . 3470 . 1 1 20 LEU O O 15.746 -7.415 -1.509 . . . 1.0 . . . . . . . . . . . . A . 20 LEU O . . . . . . . . . rr_2mce 1
. 11 . 3471 . 1 1 21 MET C C 15.699 -9.207 1.079 . . . 1.0 . . . . . . . . . . . . A . 21 MET C . . . . . . . . . rr_2mce 1
. 11 . 3472 . 1 1 21 MET CA C 15.253 -7.749 1.206 . . . 1.0 . . . . . . . . . . . . A . 21 MET CA . . . . . . . . . rr_2mce 1
. 11 . 3473 . 1 1 21 MET CB C 14.663 -7.515 2.597 . . . 1.0 . . . . . . . . . . . . A . 21 MET CB . . . . . . . . . rr_2mce 1
. 11 . 3474 . 1 1 21 MET CE C 18.296 -6.852 3.645 . . . 1.0 . . . . . . . . . . . . A . 21 MET CE . . . . . . . . . rr_2mce 1
. 11 . 3475 . 1 1 21 MET CG C 15.713 -7.748 3.686 . . . 1.0 . . . . . . . . . . . . A . 21 MET CG . . . . . . . . . rr_2mce 1
. 11 . 3476 . 1 1 21 MET H H 13.329 -7.306 0.541 . . . 1.0 . . . . . . . . . . . . A . 21 MET H . . . . . . . . . rr_2mce 1
. 11 . 3477 . 1 1 21 MET HA H 16.097 -7.086 1.017 . . . 1.0 . . . . . . . . . . . . A . 21 MET HA . . . . . . . . . rr_2mce 1
. 11 . 3478 . 1 1 21 MET HB2 H 14.280 -6.496 2.668 . . . 1.0 . . . . . . . . . . . . A . 21 MET HB2 . . . . . . . . . rr_2mce 1
. 11 . 3479 . 1 1 21 MET HB3 H 13.816 -8.184 2.755 . . . 1.0 . . . . . . . . . . . . A . 21 MET HB3 . . . . . . . . . rr_2mce 1
. 11 . 3480 . 1 1 21 MET HE1 H 18.252 -7.670 2.926 . . . 1.0 . . . . . . . . . . . . A . 21 MET HE1 . . . . . . . . . rr_2mce 1
. 11 . 3481 . 1 1 21 MET HE2 H 18.904 -6.043 3.238 . . . 1.0 . . . . . . . . . . . . A . 21 MET HE2 . . . . . . . . . rr_2mce 1
. 11 . 3482 . 1 1 21 MET HE3 H 18.740 -7.209 4.574 . . . 1.0 . . . . . . . . . . . . A . 21 MET HE3 . . . . . . . . . rr_2mce 1
. 11 . 3483 . 1 1 21 MET HG2 H 15.228 -8.062 4.610 . . . 1.0 . . . . . . . . . . . . A . 21 MET HG2 . . . . . . . . . rr_2mce 1
. 11 . 3484 . 1 1 21 MET HG3 H 16.383 -8.554 3.389 . . . 1.0 . . . . . . . . . . . . A . 21 MET HG3 . . . . . . . . . rr_2mce 1
. 11 . 3485 . 1 1 21 MET N N 14.261 -7.417 0.197 . . . 1.0 . . . . . . . . . . . . A . 21 MET N . . . . . . . . . rr_2mce 1
. 11 . 3486 . 1 1 21 MET O O 15.097 -9.981 0.335 . . . 1.0 . . . . . . . . . . . . A . 21 MET O . . . . . . . . . rr_2mce 1
. 11 . 3487 . 1 1 21 MET SD S 16.646 -6.252 3.964 . . . 1.0 . . . . . . . . . . . . A . 21 MET SD . . . . . . . . . rr_2mce 1
. 12 . 3488 . 1 1 1 ASP C C -15.598 8.147 0.942 . . . 1.0 . . . . . . . . . . . . A . 1 ASP C . . . . . . . . . rr_2mce 1
. 12 . 3489 . 1 1 1 ASP CA C -16.431 8.975 -0.040 . . . 1.0 . . . . . . . . . . . . A . 1 ASP CA . . . . . . . . . rr_2mce 1
. 12 . 3490 . 1 1 1 ASP CB C -17.813 9.191 0.578 . . . 1.0 . . . . . . . . . . . . A . 1 ASP CB . . . . . . . . . rr_2mce 1
. 12 . 3491 . 1 1 1 ASP CG C -18.316 10.636 0.553 . . . 1.0 . . . . . . . . . . . . A . 1 ASP CG . . . . . . . . . rr_2mce 1
. 12 . 3492 . 1 1 1 ASP H1 H -16.298 7.293 -1.262 . . . 1.0 . . . . . . . . . . . . A . 1 ASP H1 . . . . . . . . . rr_2mce 1
. 12 . 3493 . 1 1 1 ASP HA H -15.963 9.929 -0.282 . . . 1.0 . . . . . . . . . . . . A . 1 ASP HA . . . . . . . . . rr_2mce 1
. 12 . 3494 . 1 1 1 ASP HB2 H -18.532 8.563 0.051 . . . 1.0 . . . . . . . . . . . . A . 1 ASP HB2 . . . . . . . . . rr_2mce 1
. 12 . 3495 . 1 1 1 ASP HB3 H -17.790 8.848 1.612 . . . 1.0 . . . . . . . . . . . . A . 1 ASP HB3 . . . . . . . . . rr_2mce 1
. 12 . 3496 . 1 1 1 ASP HD2 H -18.377 10.554 -1.328 . . . 1.0 . . . . . . . . . . . . A . 1 ASP HD2 . . . . . . . . . rr_2mce 1
. 12 . 3497 . 1 1 1 ASP N N -16.528 8.266 -1.304 . . . 1.0 . . . . . . . . . . . . A . 1 ASP N . . . . . . . . . rr_2mce 1
. 12 . 3498 . 1 1 1 ASP O O -14.675 8.665 1.568 . . . 1.0 . . . . . . . . . . . . A . 1 ASP O . . . . . . . . . rr_2mce 1
. 12 . 3499 . 1 1 1 ASP OD1 O -18.214 11.365 1.551 . . . 1.0 . . . . . . . . . . . . A . 1 ASP OD1 . . . . . . . . . rr_2mce 1
. 12 . 3500 . 1 1 1 ASP OD2 O -18.835 11.013 -0.566 . . . 1.0 . . . . . . . . . . . . A . 1 ASP OD2 . . . . . . . . . rr_2mce 1
. 12 . 3501 . 1 1 2 ALA C C -14.096 5.312 1.185 . . . 1.0 . . . . . . . . . . . . A . 2 ALA C . . . . . . . . . rr_2mce 1
. 12 . 3502 . 1 1 2 ALA CA C -15.253 5.971 1.939 . . . 1.0 . . . . . . . . . . . . A . 2 ALA CA . . . . . . . . . rr_2mce 1
. 12 . 3503 . 1 1 2 ALA CB C -16.237 4.947 2.507 . . . 1.0 . . . . . . . . . . . . A . 2 ALA CB . . . . . . . . . rr_2mce 1
. 12 . 3504 . 1 1 2 ALA H H -16.707 6.462 0.532 . . . 1.0 . . . . . . . . . . . . A . 2 ALA H . . . . . . . . . rr_2mce 1
. 12 . 3505 . 1 1 2 ALA HA H -14.849 6.563 2.760 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HA . . . . . . . . . rr_2mce 1
. 12 . 3506 . 1 1 2 ALA HB1 H -16.958 5.453 3.150 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HB1 . . . . . . . . . rr_2mce 1
. 12 . 3507 . 1 1 2 ALA HB2 H -16.763 4.456 1.689 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HB2 . . . . . . . . . rr_2mce 1
. 12 . 3508 . 1 1 2 ALA HB3 H -15.693 4.203 3.088 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HB3 . . . . . . . . . rr_2mce 1
. 12 . 3509 . 1 1 2 ALA N N -15.955 6.875 1.045 . . . 1.0 . . . . . . . . . . . . A . 2 ALA N . . . . . . . . . rr_2mce 1
. 12 . 3510 . 1 1 2 ALA O O -13.286 4.602 1.781 . . . 1.0 . . . . . . . . . . . . A . 2 ALA O . . . . . . . . . rr_2mce 1
. 12 . 3511 . 1 1 3 GLY C C -11.668 5.696 -0.693 . . . 1.0 . . . . . . . . . . . . A . 3 GLY C . . . . . . . . . rr_2mce 1
. 12 . 3512 . 1 1 3 GLY CA C -13.011 5.009 -0.955 . . . 1.0 . . . . . . . . . . . . A . 3 GLY CA . . . . . . . . . rr_2mce 1
. 12 . 3513 . 1 1 3 GLY H H -14.717 6.147 -0.590 . . . 1.0 . . . . . . . . . . . . A . 3 GLY H . . . . . . . . . rr_2mce 1
. 12 . 3514 . 1 1 3 GLY HA2 H -12.919 3.940 -0.764 . . . 1.0 . . . . . . . . . . . . A . 3 GLY HA2 . . . . . . . . . rr_2mce 1
. 12 . 3515 . 1 1 3 GLY HA3 H -13.283 5.124 -2.004 . . . 1.0 . . . . . . . . . . . . A . 3 GLY HA3 . . . . . . . . . rr_2mce 1
. 12 . 3516 . 1 1 3 GLY N N -14.055 5.569 -0.114 . . . 1.0 . . . . . . . . . . . . A . 3 GLY N . . . . . . . . . rr_2mce 1
. 12 . 3517 . 1 1 3 GLY O O -10.662 5.357 -1.314 . . . 1.0 . . . . . . . . . . . . A . 3 GLY O . . . . . . . . . rr_2mce 1
. 12 . 3518 . 1 1 4 HIS C C -9.613 6.529 1.485 . . . 1.0 . . . . . . . . . . . . A . 4 HIS C . . . . . . . . . rr_2mce 1
. 12 . 3519 . 1 1 4 HIS CA C -10.496 7.388 0.577 . . . 1.0 . . . . . . . . . . . . A . 4 HIS CA . . . . . . . . . rr_2mce 1
. 12 . 3520 . 1 1 4 HIS CB C -10.851 8.739 1.201 . . . 1.0 . . . . . . . . . . . . A . 4 HIS CB . . . . . . . . . rr_2mce 1
. 12 . 3521 . 1 1 4 HIS CD2 C -8.566 10.001 1.053 . . . 1.0 . . . . . . . . . . . . A . 4 HIS CD2 . . . . . . . . . rr_2mce 1
. 12 . 3522 . 1 1 4 HIS CE1 C -8.366 10.528 3.167 . . . 1.0 . . . . . . . . . . . . A . 4 HIS CE1 . . . . . . . . . rr_2mce 1
. 12 . 3523 . 1 1 4 HIS CG C -9.658 9.514 1.709 . . . 1.0 . . . . . . . . . . . . A . 4 HIS CG . . . . . . . . . rr_2mce 1
. 12 . 3524 . 1 1 4 HIS H H -12.520 6.920 0.726 . . . 1.0 . . . . . . . . . . . . A . 4 HIS H . . . . . . . . . rr_2mce 1
. 12 . 3525 . 1 1 4 HIS HA H -9.965 7.581 -0.355 . . . 1.0 . . . . . . . . . . . . A . 4 HIS HA . . . . . . . . . rr_2mce 1
. 12 . 3526 . 1 1 4 HIS HB2 H -11.374 9.343 0.460 . . . 1.0 . . . . . . . . . . . . A . 4 HIS HB2 . . . . . . . . . rr_2mce 1
. 12 . 3527 . 1 1 4 HIS HB3 H -11.544 8.576 2.025 . . . 1.0 . . . . . . . . . . . . A . 4 HIS HB3 . . . . . . . . . rr_2mce 1
. 12 . 3528 . 1 1 4 HIS HD1 H -10.141 9.646 3.779 . . . 1.0 . . . . . . . . . . . . A . 4 HIS HD1 . . . . . . . . . rr_2mce 1
. 12 . 3529 . 1 1 4 HIS HD2 H -8.368 9.902 -0.014 . . . 1.0 . . . . . . . . . . . . A . 4 HIS HD2 . . . . . . . . . rr_2mce 1
. 12 . 3530 . 1 1 4 HIS HE1 H -7.963 10.938 4.094 . . . 1.0 . . . . . . . . . . . . A . 4 HIS HE1 . . . . . . . . . rr_2mce 1
. 12 . 3531 . 1 1 4 HIS N N -11.697 6.651 0.226 . . . 1.0 . . . . . . . . . . . . A . 4 HIS N . . . . . . . . . rr_2mce 1
. 12 . 3532 . 1 1 4 HIS ND1 N -9.503 9.862 3.040 . . . 1.0 . . . . . . . . . . . . A . 4 HIS ND1 . . . . . . . . . rr_2mce 1
. 12 . 3533 . 1 1 4 HIS NE2 N -7.787 10.615 1.935 . . . 1.0 . . . . . . . . . . . . A . 4 HIS NE2 . . . . . . . . . rr_2mce 1
. 12 . 3534 . 1 1 4 HIS O O -8.410 6.761 1.587 . . . 1.0 . . . . . . . . . . . . A . 4 HIS O . . . . . . . . . rr_2mce 1
. 12 . 3535 . 1 1 5 GLY C C -8.682 3.662 2.233 . . . 1.0 . . . . . . . . . . . . A . 5 GLY C . . . . . . . . . rr_2mce 1
. 12 . 3536 . 1 1 5 GLY CA C -9.534 4.661 3.019 . . . 1.0 . . . . . . . . . . . . A . 5 GLY CA . . . . . . . . . rr_2mce 1
. 12 . 3537 . 1 1 5 GLY H H -11.226 5.373 2.034 . . . 1.0 . . . . . . . . . . . . A . 5 GLY H . . . . . . . . . rr_2mce 1
. 12 . 3538 . 1 1 5 GLY HA2 H -8.897 5.241 3.687 . . . 1.0 . . . . . . . . . . . . A . 5 GLY HA2 . . . . . . . . . rr_2mce 1
. 12 . 3539 . 1 1 5 GLY HA3 H -10.247 4.123 3.645 . . . 1.0 . . . . . . . . . . . . A . 5 GLY HA3 . . . . . . . . . rr_2mce 1
. 12 . 3540 . 1 1 5 GLY N N -10.247 5.555 2.122 . . . 1.0 . . . . . . . . . . . . A . 5 GLY N . . . . . . . . . rr_2mce 1
. 12 . 3541 . 1 1 5 GLY O O -7.774 3.044 2.788 . . . 1.0 . . . . . . . . . . . . A . 5 GLY O . . . . . . . . . rr_2mce 1
. 12 . 3542 . 1 1 6 GLN C C -6.830 3.074 -0.068 . . . 1.0 . . . . . . . . . . . . A . 6 GLN C . . . . . . . . . rr_2mce 1
. 12 . 3543 . 1 1 6 GLN CA C -8.283 2.618 0.088 . . . 1.0 . . . . . . . . . . . . A . 6 GLN CA . . . . . . . . . rr_2mce 1
. 12 . 3544 . 1 1 6 GLN CB C -8.968 2.496 -1.273 . . . 1.0 . . . . . . . . . . . . A . 6 GLN CB . . . . . . . . . rr_2mce 1
. 12 . 3545 . 1 1 6 GLN CD C -9.970 0.911 -2.961 . . . 1.0 . . . . . . . . . . . . A . 6 GLN CD . . . . . . . . . rr_2mce 1
. 12 . 3546 . 1 1 6 GLN CG C -9.327 1.040 -1.578 . . . 1.0 . . . . . . . . . . . . A . 6 GLN CG . . . . . . . . . rr_2mce 1
. 12 . 3547 . 1 1 6 GLN H H -9.748 4.038 0.512 . . . 1.0 . . . . . . . . . . . . A . 6 GLN H . . . . . . . . . rr_2mce 1
. 12 . 3548 . 1 1 6 GLN HA H -8.315 1.653 0.594 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HA . . . . . . . . . rr_2mce 1
. 12 . 3549 . 1 1 6 GLN HB2 H -9.871 3.106 -1.287 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HB2 . . . . . . . . . rr_2mce 1
. 12 . 3550 . 1 1 6 GLN HB3 H -8.311 2.882 -2.052 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HB3 . . . . . . . . . rr_2mce 1
. 12 . 3551 . 1 1 6 GLN HE21 H -11.770 1.269 -2.106 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HE21 . . . . . . . . . rr_2mce 1
. 12 . 3552 . 1 1 6 GLN HE22 H -11.800 1.012 -3.818 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HE22 . . . . . . . . . rr_2mce 1
. 12 . 3553 . 1 1 6 GLN HG2 H -8.430 0.423 -1.531 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HG2 . . . . . . . . . rr_2mce 1
. 12 . 3554 . 1 1 6 GLN HG3 H -10.012 0.664 -0.818 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HG3 . . . . . . . . . rr_2mce 1
. 12 . 3555 . 1 1 6 GLN N N -9.007 3.532 0.956 . . . 1.0 . . . . . . . . . . . . A . 6 GLN N . . . . . . . . . rr_2mce 1
. 12 . 3556 . 1 1 6 GLN NE2 N -11.289 1.078 -2.962 . . . 1.0 . . . . . . . . . . . . A . 6 GLN NE2 . . . . . . . . . rr_2mce 1
. 12 . 3557 . 1 1 6 GLN O O -5.973 2.294 -0.482 . . . 1.0 . . . . . . . . . . . . A . 6 GLN O . . . . . . . . . rr_2mce 1
. 12 . 3558 . 1 1 6 GLN OE1 O -9.311 0.674 -3.960 . . . 1.0 . . . . . . . . . . . . A . 6 GLN OE1 . . . . . . . . . rr_2mce 1
. 12 . 3559 . 1 1 7 ILE C C -4.350 4.224 1.195 . . . 1.0 . . . . . . . . . . . . A . 7 ILE C . . . . . . . . . rr_2mce 1
. 12 . 3560 . 1 1 7 ILE CA C -5.265 4.901 0.172 . . . 1.0 . . . . . . . . . . . . A . 7 ILE CA . . . . . . . . . rr_2mce 1
. 12 . 3561 . 1 1 7 ILE CB C -5.319 6.424 0.311 . . . 1.0 . . . . . . . . . . . . A . 7 ILE CB . . . . . . . . . rr_2mce 1
. 12 . 3562 . 1 1 7 ILE CD1 C -4.535 8.473 -0.932 . . . 1.0 . . . . . . . . . . . . A . 7 ILE CD1 . . . . . . . . . rr_2mce 1
. 12 . 3563 . 1 1 7 ILE CG1 C -4.150 7.084 -0.422 . . . 1.0 . . . . . . . . . . . . A . 7 ILE CG1 . . . . . . . . . rr_2mce 1
. 12 . 3564 . 1 1 7 ILE CG2 C -5.382 6.840 1.782 . . . 1.0 . . . . . . . . . . . . A . 7 ILE CG2 . . . . . . . . . rr_2mce 1
. 12 . 3565 . 1 1 7 ILE H H -7.301 4.961 0.606 . . . 1.0 . . . . . . . . . . . . A . 7 ILE H . . . . . . . . . rr_2mce 1
. 12 . 3566 . 1 1 7 ILE HA H -4.889 4.682 -0.826 . . . 1.0 . . . . . . . . . . . . A . 7 ILE HA . . . . . . . . . rr_2mce 1
. 12 . 3567 . 1 1 7 ILE HB H -6.236 6.777 -0.163 . . . 1.0 . . . . . . . . . . . . A . 7 ILE HB . . . . . . . . . rr_2mce 1
. 12 . 3568 . 1 1 7 ILE HD11 H -5.579 8.469 -1.245 . . . 1.0 . . . . . . . . . . . . A . 7 ILE HD11 . . . . . . . . . rr_2mce 1
. 12 . 3569 . 1 1 7 ILE HD12 H -4.397 9.205 -0.134 . . . 1.0 . . . . . . . . . . . . A . 7 ILE HD12 . . . . . . . . . rr_2mce 1
. 12 . 3570 . 1 1 7 ILE HD13 H -3.903 8.738 -1.780 . . . 1.0 . . . . . . . . . . . . A . 7 ILE HD13 . . . . . . . . . rr_2mce 1
. 12 . 3571 . 1 1 7 ILE HG12 H -3.294 7.163 0.249 . . . 1.0 . . . . . . . . . . . . A . 7 ILE HG12 . . . . . . . . . rr_2mce 1
. 12 . 3572 . 1 1 7 ILE HG13 H -3.841 6.458 -1.260 . . . 1.0 . . . . . . . . . . . . A . 7 ILE HG13 . . . . . . . . . rr_2mce 1
. 12 . 3573 . 1 1 7 ILE HG21 H -6.318 6.490 2.219 . . . 1.0 . . . . . . . . . . . . A . 7 ILE HG21 . . . . . . . . . rr_2mce 1
. 12 . 3574 . 1 1 7 ILE HG22 H -4.543 6.399 2.320 . . . 1.0 . . . . . . . . . . . . A . 7 ILE HG22 . . . . . . . . . rr_2mce 1
. 12 . 3575 . 1 1 7 ILE HG23 H -5.331 7.926 1.855 . . . 1.0 . . . . . . . . . . . . A . 7 ILE HG23 . . . . . . . . . rr_2mce 1
. 12 . 3576 . 1 1 7 ILE N N -6.599 4.334 0.271 . . . 1.0 . . . . . . . . . . . . A . 7 ILE N . . . . . . . . . rr_2mce 1
. 12 . 3577 . 1 1 7 ILE O O -3.127 4.306 1.090 . . . 1.0 . . . . . . . . . . . . A . 7 ILE O . . . . . . . . . rr_2mce 1
. 12 . 3578 . 1 1 8 SER C C -3.694 1.552 2.664 . . . 1.0 . . . . . . . . . . . . A . 8 SER C . . . . . . . . . rr_2mce 1
. 12 . 3579 . 1 1 8 SER CA C -4.237 2.878 3.202 . . . 1.0 . . . . . . . . . . . . A . 8 SER CA . . . . . . . . . rr_2mce 1
. 12 . 3580 . 1 1 8 SER CB C -5.112 2.634 4.433 . . . 1.0 . . . . . . . . . . . . A . 8 SER CB . . . . . . . . . rr_2mce 1
. 12 . 3581 . 1 1 8 SER H H -5.974 3.508 2.239 . . . 1.0 . . . . . . . . . . . . A . 8 SER H . . . . . . . . . rr_2mce 1
. 12 . 3582 . 1 1 8 SER HA H -3.418 3.548 3.465 . . . 1.0 . . . . . . . . . . . . A . 8 SER HA . . . . . . . . . rr_2mce 1
. 12 . 3583 . 1 1 8 SER HB2 H -6.133 2.419 4.115 . . . 1.0 . . . . . . . . . . . . A . 8 SER HB2 . . . . . . . . . rr_2mce 1
. 12 . 3584 . 1 1 8 SER HB3 H -4.752 1.753 4.964 . . . 1.0 . . . . . . . . . . . . A . 8 SER HB3 . . . . . . . . . rr_2mce 1
. 12 . 3585 . 1 1 8 SER HG H -4.837 4.577 4.824 . . . 1.0 . . . . . . . . . . . . A . 8 SER HG . . . . . . . . . rr_2mce 1
. 12 . 3586 . 1 1 8 SER N N -4.979 3.570 2.161 . . . 1.0 . . . . . . . . . . . . A . 8 SER N . . . . . . . . . rr_2mce 1
. 12 . 3587 . 1 1 8 SER O O -2.745 0.997 3.216 . . . 1.0 . . . . . . . . . . . . A . 8 SER O . . . . . . . . . rr_2mce 1
. 12 . 3588 . 1 1 8 SER OG O -5.116 3.752 5.315 . . . 1.0 . . . . . . . . . . . . A . 8 SER OG . . . . . . . . . rr_2mce 1
. 12 . 3589 . 1 1 9 HIS C C -2.643 0.059 0.152 . . . 1.0 . . . . . . . . . . . . A . 9 HIS C . . . . . . . . . rr_2mce 1
. 12 . 3590 . 1 1 9 HIS CA C -3.911 -0.167 0.977 . . . 1.0 . . . . . . . . . . . . A . 9 HIS CA . . . . . . . . . rr_2mce 1
. 12 . 3591 . 1 1 9 HIS CB C -5.055 -0.766 0.156 . . . 1.0 . . . . . . . . . . . . A . 9 HIS CB . . . . . . . . . rr_2mce 1
. 12 . 3592 . 1 1 9 HIS CD2 C -3.915 -3.098 -0.146 . . . 1.0 . . . . . . . . . . . . A . 9 HIS CD2 . . . . . . . . . rr_2mce 1
. 12 . 3593 . 1 1 9 HIS CE1 C -4.681 -3.563 -2.142 . . . 1.0 . . . . . . . . . . . . A . 9 HIS CE1 . . . . . . . . . rr_2mce 1
. 12 . 3594 . 1 1 9 HIS CG C -4.698 -2.055 -0.544 . . . 1.0 . . . . . . . . . . . . A . 9 HIS CG . . . . . . . . . rr_2mce 1
. 12 . 3595 . 1 1 9 HIS H H -5.091 1.541 1.153 . . . 1.0 . . . . . . . . . . . . A . 9 HIS H . . . . . . . . . rr_2mce 1
. 12 . 3596 . 1 1 9 HIS HA H -3.688 -0.858 1.790 . . . 1.0 . . . . . . . . . . . . A . 9 HIS HA . . . . . . . . . rr_2mce 1
. 12 . 3597 . 1 1 9 HIS HB2 H -5.906 -0.945 0.813 . . . 1.0 . . . . . . . . . . . . A . 9 HIS HB2 . . . . . . . . . rr_2mce 1
. 12 . 3598 . 1 1 9 HIS HB3 H -5.374 -0.037 -0.588 . . . 1.0 . . . . . . . . . . . . A . 9 HIS HB3 . . . . . . . . . rr_2mce 1
. 12 . 3599 . 1 1 9 HIS HD1 H -5.769 -1.812 -2.369 . . . 1.0 . . . . . . . . . . . . A . 9 HIS HD1 . . . . . . . . . rr_2mce 1
. 12 . 3600 . 1 1 9 HIS HD2 H -3.386 -3.171 0.804 . . . 1.0 . . . . . . . . . . . . A . 9 HIS HD2 . . . . . . . . . rr_2mce 1
. 12 . 3601 . 1 1 9 HIS HE1 H -4.868 -4.092 -3.077 . . . 1.0 . . . . . . . . . . . . A . 9 HIS HE1 . . . . . . . . . rr_2mce 1
. 12 . 3602 . 1 1 9 HIS N N -4.320 1.083 1.595 . . . 1.0 . . . . . . . . . . . . A . 9 HIS N . . . . . . . . . rr_2mce 1
. 12 . 3603 . 1 1 9 HIS ND1 N -5.166 -2.378 -1.806 . . . 1.0 . . . . . . . . . . . . A . 9 HIS ND1 . . . . . . . . . rr_2mce 1
. 12 . 3604 . 1 1 9 HIS NE2 N -3.905 -4.009 -1.111 . . . 1.0 . . . . . . . . . . . . A . 9 HIS NE2 . . . . . . . . . rr_2mce 1
. 12 . 3605 . 1 1 9 HIS O O -1.985 -0.898 -0.256 . . . 1.0 . . . . . . . . . . . . A . 9 HIS O . . . . . . . . . rr_2mce 1
. 12 . 3606 . 1 1 10 LYS C C 0.095 1.287 -0.063 . . . 1.0 . . . . . . . . . . . . A . 10 LYS C . . . . . . . . . rr_2mce 1
. 12 . 3607 . 1 1 10 LYS CA C -1.160 1.692 -0.838 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CA . . . . . . . . . rr_2mce 1
. 12 . 3608 . 1 1 10 LYS CB C -1.200 3.175 -1.212 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CB . . . . . . . . . rr_2mce 1
. 12 . 3609 . 1 1 10 LYS CD C -0.480 5.502 -0.560 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CD . . . . . . . . . rr_2mce 1
. 12 . 3610 . 1 1 10 LYS CE C 0.775 6.207 -0.040 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CE . . . . . . . . . rr_2mce 1
. 12 . 3611 . 1 1 10 LYS CG C -0.483 4.025 -0.161 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CG . . . . . . . . . rr_2mce 1
. 12 . 3612 . 1 1 10 LYS H H -2.878 2.101 0.266 . . . 1.0 . . . . . . . . . . . . A . 10 LYS H . . . . . . . . . rr_2mce 1
. 12 . 3613 . 1 1 10 LYS HA H -1.189 1.124 -1.768 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HA . . . . . . . . . rr_2mce 1
. 12 . 3614 . 1 1 10 LYS HB2 H -0.731 3.322 -2.186 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HB2 . . . . . . . . . rr_2mce 1
. 12 . 3615 . 1 1 10 LYS HB3 H -2.236 3.502 -1.305 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HB3 . . . . . . . . . rr_2mce 1
. 12 . 3616 . 1 1 10 LYS HD2 H -0.527 5.590 -1.646 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HD2 . . . . . . . . . rr_2mce 1
. 12 . 3617 . 1 1 10 LYS HD3 H -1.368 5.992 -0.162 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HD3 . . . . . . . . . rr_2mce 1
. 12 . 3618 . 1 1 10 LYS HE2 H 0.723 6.300 1.044 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HE2 . . . . . . . . . rr_2mce 1
. 12 . 3619 . 1 1 10 LYS HE3 H 1.657 5.607 -0.267 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HE3 . . . . . . . . . rr_2mce 1
. 12 . 3620 . 1 1 10 LYS HG2 H -0.974 3.906 0.804 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HG2 . . . . . . . . . rr_2mce 1
. 12 . 3621 . 1 1 10 LYS HG3 H 0.542 3.673 -0.043 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HG3 . . . . . . . . . rr_2mce 1
. 12 . 3622 . 1 1 10 LYS HZ1 H 1.501 7.531 -1.476 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HZ1 . . . . . . . . . rr_2mce 1
. 12 . 3623 . 1 1 10 LYS HZ3 H 1.315 8.219 -0.014 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HZ3 . . . . . . . . . rr_2mce 1
. 12 . 3624 . 1 1 10 LYS N N -2.338 1.328 -0.070 . . . 1.0 . . . . . . . . . . . . A . 10 LYS N . . . . . . . . . rr_2mce 1
. 12 . 3625 . 1 1 10 LYS NZ N 0.908 7.547 -0.654 . . . 1.0 . . . . . . . . . . . . A . 10 LYS NZ . . . . . . . . . rr_2mce 1
. 12 . 3626 . 1 1 10 LYS O O 1.180 1.195 -0.635 . . . 1.0 . . . . . . . . . . . . A . 10 LYS O . . . . . . . . . rr_2mce 1
. 12 . 3627 . 1 1 11 ARG C C 1.546 -0.708 1.669 . . . 1.0 . . . . . . . . . . . . A . 11 ARG C . . . . . . . . . rr_2mce 1
. 12 . 3628 . 1 1 11 ARG CA C 1.010 0.662 2.087 . . . 1.0 . . . . . . . . . . . . A . 11 ARG CA . . . . . . . . . rr_2mce 1
. 12 . 3629 . 1 1 11 ARG CB C 0.573 0.606 3.552 . . . 1.0 . . . . . . . . . . . . A . 11 ARG CB . . . . . . . . . rr_2mce 1
. 12 . 3630 . 1 1 11 ARG CD C -1.043 -0.465 5.166 . . . 1.0 . . . . . . . . . . . . A . 11 ARG CD . . . . . . . . . rr_2mce 1
. 12 . 3631 . 1 1 11 ARG CG C -0.360 -0.580 3.801 . . . 1.0 . . . . . . . . . . . . A . 11 ARG CG . . . . . . . . . rr_2mce 1
. 12 . 3632 . 1 1 11 ARG CZ C -2.568 -2.442 5.299 . . . 1.0 . . . . . . . . . . . . A . 11 ARG CZ . . . . . . . . . rr_2mce 1
. 12 . 3633 . 1 1 11 ARG H H -0.980 1.133 1.685 . . . 1.0 . . . . . . . . . . . . A . 11 ARG H . . . . . . . . . rr_2mce 1
. 12 . 3634 . 1 1 11 ARG HA H 1.762 1.438 1.947 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HA . . . . . . . . . rr_2mce 1
. 12 . 3635 . 1 1 11 ARG HB2 H 1.450 0.524 4.194 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HB2 . . . . . . . . . rr_2mce 1
. 12 . 3636 . 1 1 11 ARG HB3 H 0.068 1.534 3.821 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HB3 . . . . . . . . . rr_2mce 1
. 12 . 3637 . 1 1 11 ARG HD2 H -0.370 0.011 5.878 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HD2 . . . . . . . . . rr_2mce 1
. 12 . 3638 . 1 1 11 ARG HD3 H -1.925 0.172 5.088 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HD3 . . . . . . . . . rr_2mce 1
. 12 . 3639 . 1 1 11 ARG HE H -0.811 -2.273 6.286 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HE . . . . . . . . . rr_2mce 1
. 12 . 3640 . 1 1 11 ARG HG2 H -1.115 -0.624 3.016 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HG2 . . . . . . . . . rr_2mce 1
. 12 . 3641 . 1 1 11 ARG HG3 H 0.206 -1.510 3.752 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HG3 . . . . . . . . . rr_2mce 1
. 12 . 3642 . 1 1 11 ARG HH11 H -3.247 -0.953 4.077 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HH11 . . . . . . . . . rr_2mce 1
. 12 . 3643 . 1 1 11 ARG HH12 H -4.281 -2.338 4.192 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HH12 . . . . . . . . . rr_2mce 1
. 12 . 3644 . 1 1 11 ARG HH22 H -3.630 -4.176 5.585 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HH22 . . . . . . . . . rr_2mce 1
. 12 . 3645 . 1 1 11 ARG N N -0.095 1.055 1.227 . . . 1.0 . . . . . . . . . . . . A . 11 ARG N . . . . . . . . . rr_2mce 1
. 12 . 3646 . 1 1 11 ARG NE N -1.431 -1.807 5.654 . . . 1.0 . . . . . . . . . . . . A . 11 ARG NE . . . . . . . . . rr_2mce 1
. 12 . 3647 . 1 1 11 ARG NH1 N -3.441 -1.861 4.450 . . . 1.0 . . . . . . . . . . . . A . 11 ARG NH1 . . . . . . . . . rr_2mce 1
. 12 . 3648 . 1 1 11 ARG NH2 N -2.813 -3.640 5.796 . . . 1.0 . . . . . . . . . . . . A . 11 ARG NH2 . . . . . . . . . rr_2mce 1
. 12 . 3649 . 1 1 11 ARG O O 2.618 -1.120 2.110 . . . 1.0 . . . . . . . . . . . . A . 11 ARG O . . . . . . . . . rr_2mce 1
. 12 . 3650 . 1 1 12 HIS C C 2.356 -2.561 -0.607 . . . 1.0 . . . . . . . . . . . . A . 12 HIS C . . . . . . . . . rr_2mce 1
. 12 . 3651 . 1 1 12 HIS CA C 1.161 -2.692 0.340 . . . 1.0 . . . . . . . . . . . . A . 12 HIS CA . . . . . . . . . rr_2mce 1
. 12 . 3652 . 1 1 12 HIS CB C -0.031 -3.404 -0.303 . . . 1.0 . . . . . . . . . . . . A . 12 HIS CB . . . . . . . . . rr_2mce 1
. 12 . 3653 . 1 1 12 HIS CD2 C -1.651 -5.232 0.626 . . . 1.0 . . . . . . . . . . . . A . 12 HIS CD2 . . . . . . . . . rr_2mce 1
. 12 . 3654 . 1 1 12 HIS CE1 C -2.119 -4.288 2.544 . . . 1.0 . . . . . . . . . . . . A . 12 HIS CE1 . . . . . . . . . rr_2mce 1
. 12 . 3655 . 1 1 12 HIS CG C -0.966 -4.054 0.688 . . . 1.0 . . . . . . . . . . . . A . 12 HIS CG . . . . . . . . . rr_2mce 1
. 12 . 3656 . 1 1 12 HIS H H -0.094 -1.034 0.468 . . . 1.0 . . . . . . . . . . . . A . 12 HIS H . . . . . . . . . rr_2mce 1
. 12 . 3657 . 1 1 12 HIS HA H 1.461 -3.270 1.213 . . . 1.0 . . . . . . . . . . . . A . 12 HIS HA . . . . . . . . . rr_2mce 1
. 12 . 3658 . 1 1 12 HIS HB2 H -0.592 -2.685 -0.900 . . . 1.0 . . . . . . . . . . . . A . 12 HIS HB2 . . . . . . . . . rr_2mce 1
. 12 . 3659 . 1 1 12 HIS HB3 H 0.342 -4.165 -0.990 . . . 1.0 . . . . . . . . . . . . A . 12 HIS HB3 . . . . . . . . . rr_2mce 1
. 12 . 3660 . 1 1 12 HIS HD1 H -0.937 -2.607 2.250 . . . 1.0 . . . . . . . . . . . . A . 12 HIS HD1 . . . . . . . . . rr_2mce 1
. 12 . 3661 . 1 1 12 HIS HD2 H -1.630 -5.938 -0.203 . . . 1.0 . . . . . . . . . . . . A . 12 HIS HD2 . . . . . . . . . rr_2mce 1
. 12 . 3662 . 1 1 12 HIS HE1 H -2.550 -4.114 3.530 . . . 1.0 . . . . . . . . . . . . A . 12 HIS HE1 . . . . . . . . . rr_2mce 1
. 12 . 3663 . 1 1 12 HIS N N 0.777 -1.376 0.823 . . . 1.0 . . . . . . . . . . . . A . 12 HIS N . . . . . . . . . rr_2mce 1
. 12 . 3664 . 1 1 12 HIS ND1 N -1.282 -3.481 1.907 . . . 1.0 . . . . . . . . . . . . A . 12 HIS ND1 . . . . . . . . . rr_2mce 1
. 12 . 3665 . 1 1 12 HIS NE2 N -2.346 -5.371 1.749 . . . 1.0 . . . . . . . . . . . . A . 12 HIS NE2 . . . . . . . . . rr_2mce 1
. 12 . 3666 . 1 1 12 HIS O O 3.016 -3.552 -0.918 . . . 1.0 . . . . . . . . . . . . A . 12 HIS O . . . . . . . . . rr_2mce 1
. 12 . 3667 . 1 1 13 LYS C C 5.023 -1.215 -1.190 . . . 1.0 . . . . . . . . . . . . A . 13 LYS C . . . . . . . . . rr_2mce 1
. 12 . 3668 . 1 1 13 LYS CA C 3.700 -1.060 -1.943 . . . 1.0 . . . . . . . . . . . . A . 13 LYS CA . . . . . . . . . rr_2mce 1
. 12 . 3669 . 1 1 13 LYS CB C 3.527 0.309 -2.605 . . . 1.0 . . . . . . . . . . . . A . 13 LYS CB . . . . . . . . . rr_2mce 1
. 12 . 3670 . 1 1 13 LYS CD C 1.348 0.349 -3.875 . . . 1.0 . . . . . . . . . . . . A . 13 LYS CD . . . . . . . . . rr_2mce 1
. 12 . 3671 . 1 1 13 LYS CE C 0.649 -0.205 -5.118 . . . 1.0 . . . . . . . . . . . . A . 13 LYS CE . . . . . . . . . rr_2mce 1
. 12 . 3672 . 1 1 13 LYS CG C 2.865 0.175 -3.977 . . . 1.0 . . . . . . . . . . . . A . 13 LYS CG . . . . . . . . . rr_2mce 1
. 12 . 3673 . 1 1 13 LYS H H 2.055 -0.533 -0.781 . . . 1.0 . . . . . . . . . . . . A . 13 LYS H . . . . . . . . . rr_2mce 1
. 12 . 3674 . 1 1 13 LYS HA H 3.666 -1.808 -2.736 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HA . . . . . . . . . rr_2mce 1
. 12 . 3675 . 1 1 13 LYS HB2 H 2.920 0.951 -1.965 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HB2 . . . . . . . . . rr_2mce 1
. 12 . 3676 . 1 1 13 LYS HB3 H 4.498 0.792 -2.709 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HB3 . . . . . . . . . rr_2mce 1
. 12 . 3677 . 1 1 13 LYS HD2 H 0.980 -0.163 -2.986 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HD2 . . . . . . . . . rr_2mce 1
. 12 . 3678 . 1 1 13 LYS HD3 H 1.107 1.405 -3.757 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HD3 . . . . . . . . . rr_2mce 1
. 12 . 3679 . 1 1 13 LYS HE2 H 1.357 -0.772 -5.719 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HE2 . . . . . . . . . rr_2mce 1
. 12 . 3680 . 1 1 13 LYS HE3 H -0.141 -0.895 -4.820 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HE3 . . . . . . . . . rr_2mce 1
. 12 . 3681 . 1 1 13 LYS HG2 H 3.275 0.922 -4.656 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HG2 . . . . . . . . . rr_2mce 1
. 12 . 3682 . 1 1 13 LYS HG3 H 3.095 -0.802 -4.402 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HG3 . . . . . . . . . rr_2mce 1
. 12 . 3683 . 1 1 13 LYS HZ1 H -0.242 0.577 -6.831 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HZ1 . . . . . . . . . rr_2mce 1
. 12 . 3684 . 1 1 13 LYS HZ3 H 0.748 1.636 -6.090 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HZ3 . . . . . . . . . rr_2mce 1
. 12 . 3685 . 1 1 13 LYS N N 2.597 -1.332 -1.039 . . . 1.0 . . . . . . . . . . . . A . 13 LYS N . . . . . . . . . rr_2mce 1
. 12 . 3686 . 1 1 13 LYS NZ N 0.074 0.896 -5.923 . . . 1.0 . . . . . . . . . . . . A . 13 LYS NZ . . . . . . . . . rr_2mce 1
. 12 . 3687 . 1 1 13 LYS O O 6.063 -1.462 -1.798 . . . 1.0 . . . . . . . . . . . . A . 13 LYS O . . . . . . . . . rr_2mce 1
. 12 . 3688 . 1 1 14 THR C C 6.517 -2.655 1.118 . . . 1.0 . . . . . . . . . . . . A . 14 THR C . . . . . . . . . rr_2mce 1
. 12 . 3689 . 1 1 14 THR CA C 6.117 -1.186 0.968 . . . 1.0 . . . . . . . . . . . . A . 14 THR CA . . . . . . . . . rr_2mce 1
. 12 . 3690 . 1 1 14 THR CB C 5.814 -0.499 2.301 . . . 1.0 . . . . . . . . . . . . A . 14 THR CB . . . . . . . . . rr_2mce 1
. 12 . 3691 . 1 1 14 THR CG2 C 6.993 -0.567 3.275 . . . 1.0 . . . . . . . . . . . . A . 14 THR CG2 . . . . . . . . . rr_2mce 1
. 12 . 3692 . 1 1 14 THR H H 4.089 -0.865 0.611 . . . 1.0 . . . . . . . . . . . . A . 14 THR H . . . . . . . . . rr_2mce 1
. 12 . 3693 . 1 1 14 THR HA H 6.945 -0.677 0.475 . . . 1.0 . . . . . . . . . . . . A . 14 THR HA . . . . . . . . . rr_2mce 1
. 12 . 3694 . 1 1 14 THR HB H 4.911 -0.908 2.754 . . . 1.0 . . . . . . . . . . . . A . 14 THR HB . . . . . . . . . rr_2mce 1
. 12 . 3695 . 1 1 14 THR HG1 H 5.116 1.003 1.179 . . . 1.0 . . . . . . . . . . . . A . 14 THR HG1 . . . . . . . . . rr_2mce 1
. 12 . 3696 . 1 1 14 THR HG21 H 7.925 -0.414 2.730 . . . 1.0 . . . . . . . . . . . . A . 14 THR HG21 . . . . . . . . . rr_2mce 1
. 12 . 3697 . 1 1 14 THR HG22 H 6.884 0.208 4.034 . . . 1.0 . . . . . . . . . . . . A . 14 THR HG22 . . . . . . . . . rr_2mce 1
. 12 . 3698 . 1 1 14 THR HG23 H 7.011 -1.545 3.756 . . . 1.0 . . . . . . . . . . . . A . 14 THR HG23 . . . . . . . . . rr_2mce 1
. 12 . 3699 . 1 1 14 THR N N 4.939 -1.065 0.124 . . . 1.0 . . . . . . . . . . . . A . 14 THR N . . . . . . . . . rr_2mce 1
. 12 . 3700 . 1 1 14 THR O O 7.675 -2.961 1.396 . . . 1.0 . . . . . . . . . . . . A . 14 THR O . . . . . . . . . rr_2mce 1
. 12 . 3701 . 1 1 14 THR OG1 O 5.721 0.883 1.966 . . . 1.0 . . . . . . . . . . . . A . 14 THR OG1 . . . . . . . . . rr_2mce 1
. 12 . 3702 . 1 1 15 ASP C C 6.523 -5.440 -0.202 . . . 1.0 . . . . . . . . . . . . A . 15 ASP C . . . . . . . . . rr_2mce 1
. 12 . 3703 . 1 1 15 ASP CA C 5.771 -4.954 1.038 . . . 1.0 . . . . . . . . . . . . A . 15 ASP CA . . . . . . . . . rr_2mce 1
. 12 . 3704 . 1 1 15 ASP CB C 4.452 -5.724 1.123 . . . 1.0 . . . . . . . . . . . . A . 15 ASP CB . . . . . . . . . rr_2mce 1
. 12 . 3705 . 1 1 15 ASP CG C 3.788 -5.720 2.501 . . . 1.0 . . . . . . . . . . . . A . 15 ASP CG . . . . . . . . . rr_2mce 1
. 12 . 3706 . 1 1 15 ASP H H 4.596 -3.268 0.701 . . . 1.0 . . . . . . . . . . . . A . 15 ASP H . . . . . . . . . rr_2mce 1
. 12 . 3707 . 1 1 15 ASP HA H 6.350 -5.079 1.953 . . . 1.0 . . . . . . . . . . . . A . 15 ASP HA . . . . . . . . . rr_2mce 1
. 12 . 3708 . 1 1 15 ASP HB2 H 3.754 -5.302 0.399 . . . 1.0 . . . . . . . . . . . . A . 15 ASP HB2 . . . . . . . . . rr_2mce 1
. 12 . 3709 . 1 1 15 ASP HB3 H 4.632 -6.758 0.827 . . . 1.0 . . . . . . . . . . . . A . 15 ASP HB3 . . . . . . . . . rr_2mce 1
. 12 . 3710 . 1 1 15 ASP HD2 H 2.130 -6.112 1.698 . . . 1.0 . . . . . . . . . . . . A . 15 ASP HD2 . . . . . . . . . rr_2mce 1
. 12 . 3711 . 1 1 15 ASP N N 5.536 -3.524 0.927 . . . 1.0 . . . . . . . . . . . . A . 15 ASP N . . . . . . . . . rr_2mce 1
. 12 . 3712 . 1 1 15 ASP O O 7.262 -6.422 -0.139 . . . 1.0 . . . . . . . . . . . . A . 15 ASP O . . . . . . . . . rr_2mce 1
. 12 . 3713 . 1 1 15 ASP OD1 O 4.464 -5.807 3.537 . . . 1.0 . . . . . . . . . . . . A . 15 ASP OD1 . . . . . . . . . rr_2mce 1
. 12 . 3714 . 1 1 15 ASP OD2 O 2.502 -5.622 2.487 . . . 1.0 . . . . . . . . . . . . A . 15 ASP OD2 . . . . . . . . . rr_2mce 1
. 12 . 3715 . 1 1 16 SER C C 8.431 -4.663 -2.512 . . . 1.0 . . . . . . . . . . . . A . 16 SER C . . . . . . . . . rr_2mce 1
. 12 . 3716 . 1 1 16 SER CA C 6.959 -5.078 -2.553 . . . 1.0 . . . . . . . . . . . . A . 16 SER CA . . . . . . . . . rr_2mce 1
. 12 . 3717 . 1 1 16 SER CB C 6.254 -4.418 -3.740 . . . 1.0 . . . . . . . . . . . . A . 16 SER CB . . . . . . . . . rr_2mce 1
. 12 . 3718 . 1 1 16 SER H H 5.708 -3.934 -1.343 . . . 1.0 . . . . . . . . . . . . A . 16 SER H . . . . . . . . . rr_2mce 1
. 12 . 3719 . 1 1 16 SER HA H 6.869 -6.161 -2.635 . . . 1.0 . . . . . . . . . . . . A . 16 SER HA . . . . . . . . . rr_2mce 1
. 12 . 3720 . 1 1 16 SER HB2 H 5.200 -4.277 -3.502 . . . 1.0 . . . . . . . . . . . . A . 16 SER HB2 . . . . . . . . . rr_2mce 1
. 12 . 3721 . 1 1 16 SER HB3 H 6.678 -3.428 -3.909 . . . 1.0 . . . . . . . . . . . . A . 16 SER HB3 . . . . . . . . . rr_2mce 1
. 12 . 3722 . 1 1 16 SER HG H 6.250 -6.164 -4.720 . . . 1.0 . . . . . . . . . . . . A . 16 SER HG . . . . . . . . . rr_2mce 1
. 12 . 3723 . 1 1 16 SER N N 6.310 -4.731 -1.301 . . . 1.0 . . . . . . . . . . . . A . 16 SER N . . . . . . . . . rr_2mce 1
. 12 . 3724 . 1 1 16 SER O O 9.251 -5.196 -3.258 . . . 1.0 . . . . . . . . . . . . A . 16 SER O . . . . . . . . . rr_2mce 1
. 12 . 3725 . 1 1 16 SER OG O 6.372 -5.193 -4.929 . . . 1.0 . . . . . . . . . . . . A . 16 SER OG . . . . . . . . . rr_2mce 1
. 12 . 3726 . 1 1 17 PHE C C 10.951 -4.232 -0.735 . . . 1.0 . . . . . . . . . . . . A . 17 PHE C . . . . . . . . . rr_2mce 1
. 12 . 3727 . 1 1 17 PHE CA C 10.080 -3.223 -1.486 . . . 1.0 . . . . . . . . . . . . A . 17 PHE CA . . . . . . . . . rr_2mce 1
. 12 . 3728 . 1 1 17 PHE CB C 10.001 -1.929 -0.672 . . . 1.0 . . . . . . . . . . . . A . 17 PHE CB . . . . . . . . . rr_2mce 1
. 12 . 3729 . 1 1 17 PHE CD1 C 11.147 -0.215 -2.093 . . . 1.0 . . . . . . . . . . . . A . 17 PHE CD1 . . . . . . . . . rr_2mce 1
. 12 . 3730 . 1 1 17 PHE CD2 C 8.835 0.030 -1.710 . . . 1.0 . . . . . . . . . . . . A . 17 PHE CD2 . . . . . . . . . rr_2mce 1
. 12 . 3731 . 1 1 17 PHE CE1 C 11.140 0.965 -2.883 . . . 1.0 . . . . . . . . . . . . A . 17 PHE CE1 . . . . . . . . . rr_2mce 1
. 12 . 3732 . 1 1 17 PHE CE2 C 8.829 1.210 -2.499 . . . 1.0 . . . . . . . . . . . . A . 17 PHE CE2 . . . . . . . . . rr_2mce 1
. 12 . 3733 . 1 1 17 PHE CG C 9.995 -0.658 -1.523 . . . 1.0 . . . . . . . . . . . . A . 17 PHE CG . . . . . . . . . rr_2mce 1
. 12 . 3734 . 1 1 17 PHE CZ C 9.982 1.653 -3.069 . . . 1.0 . . . . . . . . . . . . A . 17 PHE CZ . . . . . . . . . rr_2mce 1
. 12 . 3735 . 1 1 17 PHE H H 8.049 -3.287 -1.031 . . . 1.0 . . . . . . . . . . . . A . 17 PHE H . . . . . . . . . rr_2mce 1
. 12 . 3736 . 1 1 17 PHE HA H 10.481 -3.074 -2.489 . . . 1.0 . . . . . . . . . . . . A . 17 PHE HA . . . . . . . . . rr_2mce 1
. 12 . 3737 . 1 1 17 PHE HB2 H 9.099 -1.951 -0.062 . . . 1.0 . . . . . . . . . . . . A . 17 PHE HB2 . . . . . . . . . rr_2mce 1
. 12 . 3738 . 1 1 17 PHE HB3 H 10.848 -1.891 0.013 . . . 1.0 . . . . . . . . . . . . A . 17 PHE HB3 . . . . . . . . . rr_2mce 1
. 12 . 3739 . 1 1 17 PHE HD1 H 12.076 -0.766 -1.944 . . . 1.0 . . . . . . . . . . . . A . 17 PHE HD1 . . . . . . . . . rr_2mce 1
. 12 . 3740 . 1 1 17 PHE HD2 H 7.913 -0.325 -1.252 . . . 1.0 . . . . . . . . . . . . A . 17 PHE HD2 . . . . . . . . . rr_2mce 1
. 12 . 3741 . 1 1 17 PHE HE1 H 12.064 1.320 -3.340 . . . 1.0 . . . . . . . . . . . . A . 17 PHE HE1 . . . . . . . . . rr_2mce 1
. 12 . 3742 . 1 1 17 PHE HE2 H 7.901 1.761 -2.647 . . . 1.0 . . . . . . . . . . . . A . 17 PHE HE2 . . . . . . . . . rr_2mce 1
. 12 . 3743 . 1 1 17 PHE HZ H 9.977 2.559 -3.675 . . . 1.0 . . . . . . . . . . . . A . 17 PHE HZ . . . . . . . . . rr_2mce 1
. 12 . 3744 . 1 1 17 PHE N N 8.722 -3.715 -1.634 . . . 1.0 . . . . . . . . . . . . A . 17 PHE N . . . . . . . . . rr_2mce 1
. 12 . 3745 . 1 1 17 PHE O O 12.174 -4.219 -0.864 . . . 1.0 . . . . . . . . . . . . A . 17 PHE O . . . . . . . . . rr_2mce 1
. 12 . 3746 . 1 1 18 VAL C C 11.648 -7.089 -0.147 . . . 1.0 . . . . . . . . . . . . A . 18 VAL C . . . . . . . . . rr_2mce 1
. 12 . 3747 . 1 1 18 VAL CA C 10.984 -6.095 0.806 . . . 1.0 . . . . . . . . . . . . A . 18 VAL CA . . . . . . . . . rr_2mce 1
. 12 . 3748 . 1 1 18 VAL CB C 10.018 -6.762 1.787 . . . 1.0 . . . . . . . . . . . . A . 18 VAL CB . . . . . . . . . rr_2mce 1
. 12 . 3749 . 1 1 18 VAL CG1 C 10.772 -7.647 2.783 . . . 1.0 . . . . . . . . . . . . A . 18 VAL CG1 . . . . . . . . . rr_2mce 1
. 12 . 3750 . 1 1 18 VAL CG2 C 9.168 -5.719 2.516 . . . 1.0 . . . . . . . . . . . . A . 18 VAL CG2 . . . . . . . . . rr_2mce 1
. 12 . 3751 . 1 1 18 VAL H H 9.291 -5.084 0.135 . . . 1.0 . . . . . . . . . . . . A . 18 VAL H . . . . . . . . . rr_2mce 1
. 12 . 3752 . 1 1 18 VAL HA H 11.759 -5.592 1.385 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HA . . . . . . . . . rr_2mce 1
. 12 . 3753 . 1 1 18 VAL HB H 9.346 -7.400 1.214 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HB . . . . . . . . . rr_2mce 1
. 12 . 3754 . 1 1 18 VAL HG11 H 10.753 -8.680 2.437 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HG11 . . . . . . . . . rr_2mce 1
. 12 . 3755 . 1 1 18 VAL HG12 H 11.805 -7.308 2.860 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HG12 . . . . . . . . . rr_2mce 1
. 12 . 3756 . 1 1 18 VAL HG13 H 10.294 -7.583 3.760 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HG13 . . . . . . . . . rr_2mce 1
. 12 . 3757 . 1 1 18 VAL HG21 H 9.396 -4.727 2.125 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HG21 . . . . . . . . . rr_2mce 1
. 12 . 3758 . 1 1 18 VAL HG22 H 8.112 -5.937 2.359 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HG22 . . . . . . . . . rr_2mce 1
. 12 . 3759 . 1 1 18 VAL HG23 H 9.391 -5.749 3.583 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HG23 . . . . . . . . . rr_2mce 1
. 12 . 3760 . 1 1 18 VAL N N 10.286 -5.081 0.035 . . . 1.0 . . . . . . . . . . . . A . 18 VAL N . . . . . . . . . rr_2mce 1
. 12 . 3761 . 1 1 18 VAL O O 12.691 -7.660 0.171 . . . 1.0 . . . . . . . . . . . . A . 18 VAL O . . . . . . . . . rr_2mce 1
. 12 . 3762 . 1 1 19 GLY C C 12.599 -7.504 -3.167 . . . 1.0 . . . . . . . . . . . . A . 19 GLY C . . . . . . . . . rr_2mce 1
. 12 . 3763 . 1 1 19 GLY CA C 11.535 -8.182 -2.303 . . . 1.0 . . . . . . . . . . . . A . 19 GLY CA . . . . . . . . . rr_2mce 1
. 12 . 3764 . 1 1 19 GLY H H 10.170 -6.799 -1.551 . . . 1.0 . . . . . . . . . . . . A . 19 GLY H . . . . . . . . . rr_2mce 1
. 12 . 3765 . 1 1 19 GLY HA2 H 11.961 -9.059 -1.814 . . . 1.0 . . . . . . . . . . . . A . 19 GLY HA2 . . . . . . . . . rr_2mce 1
. 12 . 3766 . 1 1 19 GLY HA3 H 10.718 -8.534 -2.934 . . . 1.0 . . . . . . . . . . . . A . 19 GLY HA3 . . . . . . . . . rr_2mce 1
. 12 . 3767 . 1 1 19 GLY N N 11.017 -7.267 -1.299 . . . 1.0 . . . . . . . . . . . . A . 19 GLY N . . . . . . . . . rr_2mce 1
. 12 . 3768 . 1 1 19 GLY O O 13.178 -8.132 -4.052 . . . 1.0 . . . . . . . . . . . . A . 19 GLY O . . . . . . . . . rr_2mce 1
. 12 . 3769 . 1 1 20 LEU C C 15.173 -5.588 -2.931 . . . 1.0 . . . . . . . . . . . . A . 20 LEU C . . . . . . . . . rr_2mce 1
. 12 . 3770 . 1 1 20 LEU CA C 13.812 -5.461 -3.618 . . . 1.0 . . . . . . . . . . . . A . 20 LEU CA . . . . . . . . . rr_2mce 1
. 12 . 3771 . 1 1 20 LEU CB C 13.342 -4.014 -3.792 . . . 1.0 . . . . . . . . . . . . A . 20 LEU CB . . . . . . . . . rr_2mce 1
. 12 . 3772 . 1 1 20 LEU CD1 C 14.490 -3.474 -5.971 . . . 1.0 . . . . . . . . . . . . A . 20 LEU CD1 . . . . . . . . . rr_2mce 1
. 12 . 3773 . 1 1 20 LEU CD2 C 12.134 -4.414 -5.969 . . . 1.0 . . . . . . . . . . . . A . 20 LEU CD2 . . . . . . . . . rr_2mce 1
. 12 . 3774 . 1 1 20 LEU CG C 13.151 -3.539 -5.233 . . . 1.0 . . . . . . . . . . . . A . 20 LEU CG . . . . . . . . . rr_2mce 1
. 12 . 3775 . 1 1 20 LEU H H 12.353 -5.727 -2.157 . . . 1.0 . . . . . . . . . . . . A . 20 LEU H . . . . . . . . . rr_2mce 1
. 12 . 3776 . 1 1 20 LEU HA H 13.886 -5.897 -4.615 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HA . . . . . . . . . rr_2mce 1
. 12 . 3777 . 1 1 20 LEU HB2 H 12.397 -3.895 -3.262 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HB2 . . . . . . . . . rr_2mce 1
. 12 . 3778 . 1 1 20 LEU HB3 H 14.065 -3.359 -3.306 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HB3 . . . . . . . . . rr_2mce 1
. 12 . 3779 . 1 1 20 LEU HD11 H 14.425 -4.051 -6.893 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HD11 . . . . . . . . . rr_2mce 1
. 12 . 3780 . 1 1 20 LEU HD12 H 14.725 -2.436 -6.208 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HD12 . . . . . . . . . rr_2mce 1
. 12 . 3781 . 1 1 20 LEU HD13 H 15.274 -3.889 -5.337 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HD13 . . . . . . . . . rr_2mce 1
. 12 . 3782 . 1 1 20 LEU HD21 H 11.445 -3.779 -6.525 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HD21 . . . . . . . . . rr_2mce 1
. 12 . 3783 . 1 1 20 LEU HD22 H 12.656 -5.077 -6.659 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HD22 . . . . . . . . . rr_2mce 1
. 12 . 3784 . 1 1 20 LEU HD23 H 11.576 -5.009 -5.246 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HD23 . . . . . . . . . rr_2mce 1
. 12 . 3785 . 1 1 20 LEU HG H 12.748 -2.527 -5.208 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HG . . . . . . . . . rr_2mce 1
. 12 . 3786 . 1 1 20 LEU N N 12.827 -6.231 -2.879 . . . 1.0 . . . . . . . . . . . . A . 20 LEU N . . . . . . . . . rr_2mce 1
. 12 . 3787 . 1 1 20 LEU O O 16.211 -5.407 -3.565 . . . 1.0 . . . . . . . . . . . . A . 20 LEU O . . . . . . . . . rr_2mce 1
. 12 . 3788 . 1 1 21 MET C C 17.052 -7.357 -1.209 . . . 1.0 . . . . . . . . . . . . A . 21 MET C . . . . . . . . . rr_2mce 1
. 12 . 3789 . 1 1 21 MET CA C 16.340 -6.049 -0.864 . . . 1.0 . . . . . . . . . . . . A . 21 MET CA . . . . . . . . . rr_2mce 1
. 12 . 3790 . 1 1 21 MET CB C 15.995 -6.032 0.628 . . . 1.0 . . . . . . . . . . . . A . 21 MET CB . . . . . . . . . rr_2mce 1
. 12 . 3791 . 1 1 21 MET CE C 17.403 -7.097 3.305 . . . 1.0 . . . . . . . . . . . . A . 21 MET CE . . . . . . . . . rr_2mce 1
. 12 . 3792 . 1 1 21 MET CG C 16.987 -5.169 1.410 . . . 1.0 . . . . . . . . . . . . A . 21 MET CG . . . . . . . . . rr_2mce 1
. 12 . 3793 . 1 1 21 MET H H 14.275 -6.040 -1.136 . . . 1.0 . . . . . . . . . . . . A . 21 MET H . . . . . . . . . rr_2mce 1
. 12 . 3794 . 1 1 21 MET HA H 16.969 -5.202 -1.134 . . . 1.0 . . . . . . . . . . . . A . 21 MET HA . . . . . . . . . rr_2mce 1
. 12 . 3795 . 1 1 21 MET HB2 H 14.985 -5.648 0.766 . . . 1.0 . . . . . . . . . . . . A . 21 MET HB2 . . . . . . . . . rr_2mce 1
. 12 . 3796 . 1 1 21 MET HB3 H 16.006 -7.050 1.018 . . . 1.0 . . . . . . . . . . . . A . 21 MET HB3 . . . . . . . . . rr_2mce 1
. 12 . 3797 . 1 1 21 MET HE1 H 16.836 -6.401 3.924 . . . 1.0 . . . . . . . . . . . . A . 21 MET HE1 . . . . . . . . . rr_2mce 1
. 12 . 3798 . 1 1 21 MET HE2 H 16.719 -7.794 2.823 . . . 1.0 . . . . . . . . . . . . A . 21 MET HE2 . . . . . . . . . rr_2mce 1
. 12 . 3799 . 1 1 21 MET HE3 H 18.106 -7.649 3.930 . . . 1.0 . . . . . . . . . . . . A . 21 MET HE3 . . . . . . . . . rr_2mce 1
. 12 . 3800 . 1 1 21 MET HG2 H 17.400 -4.397 0.762 . . . 1.0 . . . . . . . . . . . . A . 21 MET HG2 . . . . . . . . . rr_2mce 1
. 12 . 3801 . 1 1 21 MET HG3 H 16.474 -4.659 2.226 . . . 1.0 . . . . . . . . . . . . A . 21 MET HG3 . . . . . . . . . rr_2mce 1
. 12 . 3802 . 1 1 21 MET N N 15.123 -5.896 -1.644 . . . 1.0 . . . . . . . . . . . . A . 21 MET N . . . . . . . . . rr_2mce 1
. 12 . 3803 . 1 1 21 MET O O 18.252 -7.495 -0.978 . . . 1.0 . . . . . . . . . . . . A . 21 MET O . . . . . . . . . rr_2mce 1
. 12 . 3804 . 1 1 21 MET SD S 18.302 -6.187 2.060 . . . 1.0 . . . . . . . . . . . . A . 21 MET SD . . . . . . . . . rr_2mce 1
. 13 . 3805 . 1 1 1 ASP C C -15.477 6.829 3.024 . . . 1.0 . . . . . . . . . . . . A . 1 ASP C . . . . . . . . . rr_2mce 1
. 13 . 3806 . 1 1 1 ASP CA C -16.524 7.857 2.588 . . . 1.0 . . . . . . . . . . . . A . 1 ASP CA . . . . . . . . . rr_2mce 1
. 13 . 3807 . 1 1 1 ASP CB C -17.833 7.534 3.311 . . . 1.0 . . . . . . . . . . . . A . 1 ASP CB . . . . . . . . . rr_2mce 1
. 13 . 3808 . 1 1 1 ASP CG C -18.506 8.727 3.993 . . . 1.0 . . . . . . . . . . . . A . 1 ASP CG . . . . . . . . . rr_2mce 1
. 13 . 3809 . 1 1 1 ASP H1 H -17.480 7.259 0.837 . . . 1.0 . . . . . . . . . . . . A . 1 ASP H1 . . . . . . . . . rr_2mce 1
. 13 . 3810 . 1 1 1 ASP HA H -16.212 8.882 2.793 . . . 1.0 . . . . . . . . . . . . A . 1 ASP HA . . . . . . . . . rr_2mce 1
. 13 . 3811 . 1 1 1 ASP HB2 H -18.531 7.104 2.593 . . . 1.0 . . . . . . . . . . . . A . 1 ASP HB2 . . . . . . . . . rr_2mce 1
. 13 . 3812 . 1 1 1 ASP HB3 H -17.637 6.769 4.062 . . . 1.0 . . . . . . . . . . . . A . 1 ASP HB3 . . . . . . . . . rr_2mce 1
. 13 . 3813 . 1 1 1 ASP HD2 H -20.351 9.058 4.178 . . . 1.0 . . . . . . . . . . . . A . 1 ASP HD2 . . . . . . . . . rr_2mce 1
. 13 . 3814 . 1 1 1 ASP N N -16.691 7.790 1.147 . . . 1.0 . . . . . . . . . . . . A . 1 ASP N . . . . . . . . . rr_2mce 1
. 13 . 3815 . 1 1 1 ASP O O -14.554 7.156 3.768 . . . 1.0 . . . . . . . . . . . . A . 1 ASP O . . . . . . . . . rr_2mce 1
. 13 . 3816 . 1 1 1 ASP OD1 O -17.979 9.289 4.964 . . . 1.0 . . . . . . . . . . . . A . 1 ASP OD1 . . . . . . . . . rr_2mce 1
. 13 . 3817 . 1 1 1 ASP OD2 O -19.636 9.082 3.480 . . . 1.0 . . . . . . . . . . . . A . 1 ASP OD2 . . . . . . . . . rr_2mce 1
. 13 . 3818 . 1 1 2 ALA C C -13.617 4.487 1.838 . . . 1.0 . . . . . . . . . . . . A . 2 ALA C . . . . . . . . . rr_2mce 1
. 13 . 3819 . 1 1 2 ALA CA C -14.741 4.530 2.874 . . . 1.0 . . . . . . . . . . . . A . 2 ALA CA . . . . . . . . . rr_2mce 1
. 13 . 3820 . 1 1 2 ALA CB C -15.512 3.211 2.954 . . . 1.0 . . . . . . . . . . . . A . 2 ALA CB . . . . . . . . . rr_2mce 1
. 13 . 3821 . 1 1 2 ALA H H -16.413 5.351 1.940 . . . 1.0 . . . . . . . . . . . . A . 2 ALA H . . . . . . . . . rr_2mce 1
. 13 . 3822 . 1 1 2 ALA HA H -14.313 4.747 3.853 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HA . . . . . . . . . rr_2mce 1
. 13 . 3823 . 1 1 2 ALA HB1 H -16.577 3.418 3.066 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HB1 . . . . . . . . . rr_2mce 1
. 13 . 3824 . 1 1 2 ALA HB2 H -15.346 2.638 2.043 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HB2 . . . . . . . . . rr_2mce 1
. 13 . 3825 . 1 1 2 ALA HB3 H -15.162 2.638 3.814 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HB3 . . . . . . . . . rr_2mce 1
. 13 . 3826 . 1 1 2 ALA N N -15.658 5.608 2.544 . . . 1.0 . . . . . . . . . . . . A . 2 ALA N . . . . . . . . . rr_2mce 1
. 13 . 3827 . 1 1 2 ALA O O -12.657 3.733 1.989 . . . 1.0 . . . . . . . . . . . . A . 2 ALA O . . . . . . . . . rr_2mce 1
. 13 . 3828 . 1 1 3 GLY C C -11.512 6.076 0.223 . . . 1.0 . . . . . . . . . . . . A . 3 GLY C . . . . . . . . . rr_2mce 1
. 13 . 3829 . 1 1 3 GLY CA C -12.784 5.369 -0.254 . . . 1.0 . . . . . . . . . . . . A . 3 GLY CA . . . . . . . . . rr_2mce 1
. 13 . 3830 . 1 1 3 GLY H H -14.557 5.915 0.692 . . . 1.0 . . . . . . . . . . . . A . 3 GLY H . . . . . . . . . rr_2mce 1
. 13 . 3831 . 1 1 3 GLY HA2 H -12.539 4.362 -0.590 . . . 1.0 . . . . . . . . . . . . A . 3 GLY HA2 . . . . . . . . . rr_2mce 1
. 13 . 3832 . 1 1 3 GLY HA3 H -13.198 5.899 -1.111 . . . 1.0 . . . . . . . . . . . . A . 3 GLY HA3 . . . . . . . . . rr_2mce 1
. 13 . 3833 . 1 1 3 GLY N N -13.773 5.305 0.808 . . . 1.0 . . . . . . . . . . . . A . 3 GLY N . . . . . . . . . rr_2mce 1
. 13 . 3834 . 1 1 3 GLY O O -10.557 6.224 -0.537 . . . 1.0 . . . . . . . . . . . . A . 3 GLY O . . . . . . . . . rr_2mce 1
. 13 . 3835 . 1 1 4 HIS C C -9.340 6.158 2.469 . . . 1.0 . . . . . . . . . . . . A . 4 HIS C . . . . . . . . . rr_2mce 1
. 13 . 3836 . 1 1 4 HIS CA C -10.405 7.180 2.068 . . . 1.0 . . . . . . . . . . . . A . 4 HIS CA . . . . . . . . . rr_2mce 1
. 13 . 3837 . 1 1 4 HIS CB C -10.849 8.063 3.236 . . . 1.0 . . . . . . . . . . . . A . 4 HIS CB . . . . . . . . . rr_2mce 1
. 13 . 3838 . 1 1 4 HIS CD2 C -10.007 10.273 2.122 . . . 1.0 . . . . . . . . . . . . A . 4 HIS CD2 . . . . . . . . . rr_2mce 1
. 13 . 3839 . 1 1 4 HIS CE1 C -9.545 11.387 3.947 . . . 1.0 . . . . . . . . . . . . A . 4 HIS CE1 . . . . . . . . . rr_2mce 1
. 13 . 3840 . 1 1 4 HIS CG C -10.302 9.470 3.185 . . . 1.0 . . . . . . . . . . . . A . 4 HIS CG . . . . . . . . . rr_2mce 1
. 13 . 3841 . 1 1 4 HIS H H -12.323 6.367 2.093 . . . 1.0 . . . . . . . . . . . . A . 4 HIS H . . . . . . . . . rr_2mce 1
. 13 . 3842 . 1 1 4 HIS HA H -9.999 7.832 1.295 . . . 1.0 . . . . . . . . . . . . A . 4 HIS HA . . . . . . . . . rr_2mce 1
. 13 . 3843 . 1 1 4 HIS HB2 H -11.938 8.108 3.252 . . . 1.0 . . . . . . . . . . . . A . 4 HIS HB2 . . . . . . . . . rr_2mce 1
. 13 . 3844 . 1 1 4 HIS HB3 H -10.535 7.596 4.170 . . . 1.0 . . . . . . . . . . . . A . 4 HIS HB3 . . . . . . . . . rr_2mce 1
. 13 . 3845 . 1 1 4 HIS HD1 H -10.106 9.884 5.264 . . . 1.0 . . . . . . . . . . . . A . 4 HIS HD1 . . . . . . . . . rr_2mce 1
. 13 . 3846 . 1 1 4 HIS HD2 H -10.126 10.008 1.072 . . . 1.0 . . . . . . . . . . . . A . 4 HIS HD2 . . . . . . . . . rr_2mce 1
. 13 . 3847 . 1 1 4 HIS HE1 H -9.222 12.187 4.614 . . . 1.0 . . . . . . . . . . . . A . 4 HIS HE1 . . . . . . . . . rr_2mce 1
. 13 . 3848 . 1 1 4 HIS N N -11.542 6.493 1.481 . . . 1.0 . . . . . . . . . . . . A . 4 HIS N . . . . . . . . . rr_2mce 1
. 13 . 3849 . 1 1 4 HIS ND1 N -10.000 10.199 4.321 . . . 1.0 . . . . . . . . . . . . A . 4 HIS ND1 . . . . . . . . . rr_2mce 1
. 13 . 3850 . 1 1 4 HIS NE2 N -9.550 11.431 2.585 . . . 1.0 . . . . . . . . . . . . A . 4 HIS NE2 . . . . . . . . . rr_2mce 1
. 13 . 3851 . 1 1 4 HIS O O -8.185 6.518 2.702 . . . 1.0 . . . . . . . . . . . . A . 4 HIS O . . . . . . . . . rr_2mce 1
. 13 . 3852 . 1 1 5 GLY C C -8.090 3.316 1.686 . . . 1.0 . . . . . . . . . . . . A . 5 GLY C . . . . . . . . . rr_2mce 1
. 13 . 3853 . 1 1 5 GLY CA C -8.858 3.829 2.905 . . . 1.0 . . . . . . . . . . . . A . 5 GLY CA . . . . . . . . . rr_2mce 1
. 13 . 3854 . 1 1 5 GLY H H -10.702 4.621 2.346 . . . 1.0 . . . . . . . . . . . . A . 5 GLY H . . . . . . . . . rr_2mce 1
. 13 . 3855 . 1 1 5 GLY HA2 H -8.156 4.182 3.661 . . . 1.0 . . . . . . . . . . . . A . 5 GLY HA2 . . . . . . . . . rr_2mce 1
. 13 . 3856 . 1 1 5 GLY HA3 H -9.424 3.012 3.353 . . . 1.0 . . . . . . . . . . . . A . 5 GLY HA3 . . . . . . . . . rr_2mce 1
. 13 . 3857 . 1 1 5 GLY N N -9.762 4.905 2.538 . . . 1.0 . . . . . . . . . . . . A . 5 GLY N . . . . . . . . . rr_2mce 1
. 13 . 3858 . 1 1 5 GLY O O -7.063 2.655 1.828 . . . 1.0 . . . . . . . . . . . . A . 5 GLY O . . . . . . . . . rr_2mce 1
. 13 . 3859 . 1 1 6 GLN C C -6.576 3.790 -0.829 . . . 1.0 . . . . . . . . . . . . A . 6 GLN C . . . . . . . . . rr_2mce 1
. 13 . 3860 . 1 1 6 GLN CA C -7.994 3.223 -0.729 . . . 1.0 . . . . . . . . . . . . A . 6 GLN CA . . . . . . . . . rr_2mce 1
. 13 . 3861 . 1 1 6 GLN CB C -8.838 3.642 -1.934 . . . 1.0 . . . . . . . . . . . . A . 6 GLN CB . . . . . . . . . rr_2mce 1
. 13 . 3862 . 1 1 6 GLN CD C -10.965 2.294 -2.057 . . . 1.0 . . . . . . . . . . . . A . 6 GLN CD . . . . . . . . . rr_2mce 1
. 13 . 3863 . 1 1 6 GLN CG C -9.530 2.434 -2.566 . . . 1.0 . . . . . . . . . . . . A . 6 GLN CG . . . . . . . . . rr_2mce 1
. 13 . 3864 . 1 1 6 GLN H H -9.452 4.181 0.408 . . . 1.0 . . . . . . . . . . . . A . 6 GLN H . . . . . . . . . rr_2mce 1
. 13 . 3865 . 1 1 6 GLN HA H -7.955 2.135 -0.682 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HA . . . . . . . . . rr_2mce 1
. 13 . 3866 . 1 1 6 GLN HB2 H -9.585 4.373 -1.623 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HB2 . . . . . . . . . rr_2mce 1
. 13 . 3867 . 1 1 6 GLN HB3 H -8.204 4.132 -2.674 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HB3 . . . . . . . . . rr_2mce 1
. 13 . 3868 . 1 1 6 GLN HE21 H -10.238 1.402 -0.392 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HE21 . . . . . . . . . rr_2mce 1
. 13 . 3869 . 1 1 6 GLN HE22 H -11.961 1.571 -0.450 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HE22 . . . . . . . . . rr_2mce 1
. 13 . 3870 . 1 1 6 GLN HG2 H -9.533 2.539 -3.652 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HG2 . . . . . . . . . rr_2mce 1
. 13 . 3871 . 1 1 6 GLN HG3 H -8.969 1.528 -2.336 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HG3 . . . . . . . . . rr_2mce 1
. 13 . 3872 . 1 1 6 GLN N N -8.617 3.642 0.515 . . . 1.0 . . . . . . . . . . . . A . 6 GLN N . . . . . . . . . rr_2mce 1
. 13 . 3873 . 1 1 6 GLN NE2 N -11.063 1.708 -0.868 . . . 1.0 . . . . . . . . . . . . A . 6 GLN NE2 . . . . . . . . . rr_2mce 1
. 13 . 3874 . 1 1 6 GLN O O -5.733 3.243 -1.539 . . . 1.0 . . . . . . . . . . . . A . 6 GLN O . . . . . . . . . rr_2mce 1
. 13 . 3875 . 1 1 6 GLN OE1 O -11.922 2.695 -2.701 . . . 1.0 . . . . . . . . . . . . A . 6 GLN OE1 . . . . . . . . . rr_2mce 1
. 13 . 3876 . 1 1 7 ILE C C -4.036 4.612 0.581 . . . 1.0 . . . . . . . . . . . . A . 7 ILE C . . . . . . . . . rr_2mce 1
. 13 . 3877 . 1 1 7 ILE CA C -5.054 5.525 -0.106 . . . 1.0 . . . . . . . . . . . . A . 7 ILE CA . . . . . . . . . rr_2mce 1
. 13 . 3878 . 1 1 7 ILE CB C -5.149 6.919 0.518 . . . 1.0 . . . . . . . . . . . . A . 7 ILE CB . . . . . . . . . rr_2mce 1
. 13 . 3879 . 1 1 7 ILE CD1 C -4.884 8.267 2.633 . . . 1.0 . . . . . . . . . . . . A . 7 ILE CD1 . . . . . . . . . rr_2mce 1
. 13 . 3880 . 1 1 7 ILE CG1 C -4.918 6.861 2.029 . . . 1.0 . . . . . . . . . . . . A . 7 ILE CG1 . . . . . . . . . rr_2mce 1
. 13 . 3881 . 1 1 7 ILE CG2 C -6.480 7.588 0.166 . . . 1.0 . . . . . . . . . . . . A . 7 ILE CG2 . . . . . . . . . rr_2mce 1
. 13 . 3882 . 1 1 7 ILE H H -7.046 5.318 0.467 . . . 1.0 . . . . . . . . . . . . A . 7 ILE H . . . . . . . . . rr_2mce 1
. 13 . 3883 . 1 1 7 ILE HA H -4.754 5.658 -1.145 . . . 1.0 . . . . . . . . . . . . A . 7 ILE HA . . . . . . . . . rr_2mce 1
. 13 . 3884 . 1 1 7 ILE HB H -4.357 7.537 0.094 . . . 1.0 . . . . . . . . . . . . A . 7 ILE HB . . . . . . . . . rr_2mce 1
. 13 . 3885 . 1 1 7 ILE HD11 H -5.764 8.823 2.309 . . . 1.0 . . . . . . . . . . . . A . 7 ILE HD11 . . . . . . . . . rr_2mce 1
. 13 . 3886 . 1 1 7 ILE HD12 H -4.879 8.194 3.720 . . . 1.0 . . . . . . . . . . . . A . 7 ILE HD12 . . . . . . . . . rr_2mce 1
. 13 . 3887 . 1 1 7 ILE HD13 H -3.984 8.782 2.300 . . . 1.0 . . . . . . . . . . . . A . 7 ILE HD13 . . . . . . . . . rr_2mce 1
. 13 . 3888 . 1 1 7 ILE HG12 H -5.711 6.278 2.499 . . . 1.0 . . . . . . . . . . . . A . 7 ILE HG12 . . . . . . . . . rr_2mce 1
. 13 . 3889 . 1 1 7 ILE HG13 H -3.979 6.348 2.237 . . . 1.0 . . . . . . . . . . . . A . 7 ILE HG13 . . . . . . . . . rr_2mce 1
. 13 . 3890 . 1 1 7 ILE HG21 H -7.259 7.220 0.834 . . . 1.0 . . . . . . . . . . . . A . 7 ILE HG21 . . . . . . . . . rr_2mce 1
. 13 . 3891 . 1 1 7 ILE HG22 H -6.385 8.668 0.278 . . . 1.0 . . . . . . . . . . . . A . 7 ILE HG22 . . . . . . . . . rr_2mce 1
. 13 . 3892 . 1 1 7 ILE HG23 H -6.744 7.351 -0.864 . . . 1.0 . . . . . . . . . . . . A . 7 ILE HG23 . . . . . . . . . rr_2mce 1
. 13 . 3893 . 1 1 7 ILE N N -6.356 4.878 -0.107 . . . 1.0 . . . . . . . . . . . . A . 7 ILE N . . . . . . . . . rr_2mce 1
. 13 . 3894 . 1 1 7 ILE O O -2.834 4.738 0.356 . . . 1.0 . . . . . . . . . . . . A . 7 ILE O . . . . . . . . . rr_2mce 1
. 13 . 3895 . 1 1 8 SER C C -3.385 1.577 1.240 . . . 1.0 . . . . . . . . . . . . A . 8 SER C . . . . . . . . . rr_2mce 1
. 13 . 3896 . 1 1 8 SER CA C -3.709 2.780 2.126 . . . 1.0 . . . . . . . . . . . . A . 8 SER CA . . . . . . . . . rr_2mce 1
. 13 . 3897 . 1 1 8 SER CB C -4.376 2.321 3.424 . . . 1.0 . . . . . . . . . . . . A . 8 SER CB . . . . . . . . . rr_2mce 1
. 13 . 3898 . 1 1 8 SER H H -5.536 3.620 1.582 . . . 1.0 . . . . . . . . . . . . A . 8 SER H . . . . . . . . . rr_2mce 1
. 13 . 3899 . 1 1 8 SER HA H -2.802 3.338 2.362 . . . 1.0 . . . . . . . . . . . . A . 8 SER HA . . . . . . . . . rr_2mce 1
. 13 . 3900 . 1 1 8 SER HB2 H -5.008 3.120 3.810 . . . 1.0 . . . . . . . . . . . . A . 8 SER HB2 . . . . . . . . . rr_2mce 1
. 13 . 3901 . 1 1 8 SER HB3 H -5.027 1.472 3.216 . . . 1.0 . . . . . . . . . . . . A . 8 SER HB3 . . . . . . . . . rr_2mce 1
. 13 . 3902 . 1 1 8 SER HG H -2.667 2.610 4.425 . . . 1.0 . . . . . . . . . . . . A . 8 SER HG . . . . . . . . . rr_2mce 1
. 13 . 3903 . 1 1 8 SER N N -4.557 3.714 1.405 . . . 1.0 . . . . . . . . . . . . A . 8 SER N . . . . . . . . . rr_2mce 1
. 13 . 3904 . 1 1 8 SER O O -2.464 0.815 1.534 . . . 1.0 . . . . . . . . . . . . A . 8 SER O . . . . . . . . . rr_2mce 1
. 13 . 3905 . 1 1 8 SER OG O -3.420 1.952 4.414 . . . 1.0 . . . . . . . . . . . . A . 8 SER OG . . . . . . . . . rr_2mce 1
. 13 . 3906 . 1 1 9 HIS C C -2.705 0.591 -1.590 . . . 1.0 . . . . . . . . . . . . A . 9 HIS C . . . . . . . . . rr_2mce 1
. 13 . 3907 . 1 1 9 HIS CA C -3.965 0.343 -0.758 . . . 1.0 . . . . . . . . . . . . A . 9 HIS CA . . . . . . . . . rr_2mce 1
. 13 . 3908 . 1 1 9 HIS CB C -5.212 0.134 -1.618 . . . 1.0 . . . . . . . . . . . . A . 9 HIS CB . . . . . . . . . rr_2mce 1
. 13 . 3909 . 1 1 9 HIS CD2 C -4.807 -1.430 -3.673 . . . 1.0 . . . . . . . . . . . . A . 9 HIS CD2 . . . . . . . . . rr_2mce 1
. 13 . 3910 . 1 1 9 HIS CE1 C -5.535 -3.297 -2.792 . . . 1.0 . . . . . . . . . . . . A . 9 HIS CE1 . . . . . . . . . rr_2mce 1
. 13 . 3911 . 1 1 9 HIS CG C -5.211 -1.159 -2.399 . . . 1.0 . . . . . . . . . . . . A . 9 HIS CG . . . . . . . . . rr_2mce 1
. 13 . 3912 . 1 1 9 HIS H H -4.905 2.066 -0.059 . . . 1.0 . . . . . . . . . . . . A . 9 HIS H . . . . . . . . . rr_2mce 1
. 13 . 3913 . 1 1 9 HIS HA H -3.822 -0.555 -0.156 . . . 1.0 . . . . . . . . . . . . A . 9 HIS HA . . . . . . . . . rr_2mce 1
. 13 . 3914 . 1 1 9 HIS HB2 H -6.093 0.157 -0.976 . . . 1.0 . . . . . . . . . . . . A . 9 HIS HB2 . . . . . . . . . rr_2mce 1
. 13 . 3915 . 1 1 9 HIS HB3 H -5.305 0.967 -2.316 . . . 1.0 . . . . . . . . . . . . A . 9 HIS HB3 . . . . . . . . . rr_2mce 1
. 13 . 3916 . 1 1 9 HIS HD1 H -6.029 -2.485 -0.948 . . . 1.0 . . . . . . . . . . . . A . 9 HIS HD1 . . . . . . . . . rr_2mce 1
. 13 . 3917 . 1 1 9 HIS HD2 H -4.393 -0.709 -4.377 . . . 1.0 . . . . . . . . . . . . A . 9 HIS HD2 . . . . . . . . . rr_2mce 1
. 13 . 3918 . 1 1 9 HIS HE1 H -5.806 -4.346 -2.679 . . . 1.0 . . . . . . . . . . . . A . 9 HIS HE1 . . . . . . . . . rr_2mce 1
. 13 . 3919 . 1 1 9 HIS N N -4.158 1.442 0.173 . . . 1.0 . . . . . . . . . . . . A . 9 HIS N . . . . . . . . . rr_2mce 1
. 13 . 3920 . 1 1 9 HIS ND1 N -5.665 -2.355 -1.870 . . . 1.0 . . . . . . . . . . . . A . 9 HIS ND1 . . . . . . . . . rr_2mce 1
. 13 . 3921 . 1 1 9 HIS NE2 N -5.003 -2.722 -3.909 . . . 1.0 . . . . . . . . . . . . A . 9 HIS NE2 . . . . . . . . . rr_2mce 1
. 13 . 3922 . 1 1 9 HIS O O -2.125 -0.344 -2.139 . . . 1.0 . . . . . . . . . . . . A . 9 HIS O . . . . . . . . . rr_2mce 1
. 13 . 3923 . 1 1 10 LYS C C 0.113 1.788 -1.658 . . . 1.0 . . . . . . . . . . . . A . 10 LYS C . . . . . . . . . rr_2mce 1
. 13 . 3924 . 1 1 10 LYS CA C -1.139 2.240 -2.412 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CA . . . . . . . . . rr_2mce 1
. 13 . 3925 . 1 1 10 LYS CB C -1.163 3.739 -2.721 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CB . . . . . . . . . rr_2mce 1
. 13 . 3926 . 1 1 10 LYS CD C -0.991 6.013 -1.646 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CD . . . . . . . . . rr_2mce 1
. 13 . 3927 . 1 1 10 LYS CE C -0.153 6.772 -2.679 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CE . . . . . . . . . rr_2mce 1
. 13 . 3928 . 1 1 10 LYS CG C -0.565 4.545 -1.567 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CG . . . . . . . . . rr_2mce 1
. 13 . 3929 . 1 1 10 LYS H H -2.796 2.611 -1.206 . . . 1.0 . . . . . . . . . . . . A . 10 LYS H . . . . . . . . . rr_2mce 1
. 13 . 3930 . 1 1 10 LYS HA H -1.176 1.713 -3.366 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HA . . . . . . . . . rr_2mce 1
. 13 . 3931 . 1 1 10 LYS HB2 H -0.603 3.934 -3.635 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HB2 . . . . . . . . . rr_2mce 1
. 13 . 3932 . 1 1 10 LYS HB3 H -2.189 4.059 -2.902 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HB3 . . . . . . . . . rr_2mce 1
. 13 . 3933 . 1 1 10 LYS HD2 H -2.046 6.076 -1.912 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HD2 . . . . . . . . . rr_2mce 1
. 13 . 3934 . 1 1 10 LYS HD3 H -0.880 6.481 -0.668 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HD3 . . . . . . . . . rr_2mce 1
. 13 . 3935 . 1 1 10 LYS HE2 H -0.078 7.821 -2.394 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HE2 . . . . . . . . . rr_2mce 1
. 13 . 3936 . 1 1 10 LYS HE3 H 0.861 6.373 -2.696 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HE3 . . . . . . . . . rr_2mce 1
. 13 . 3937 . 1 1 10 LYS HG2 H -0.888 4.121 -0.616 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HG2 . . . . . . . . . rr_2mce 1
. 13 . 3938 . 1 1 10 LYS HG3 H 0.522 4.476 -1.594 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HG3 . . . . . . . . . rr_2mce 1
. 13 . 3939 . 1 1 10 LYS HZ1 H -0.325 7.283 -4.691 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HZ1 . . . . . . . . . rr_2mce 1
. 13 . 3940 . 1 1 10 LYS HZ3 H -1.750 6.882 -4.014 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HZ3 . . . . . . . . . rr_2mce 1
. 13 . 3941 . 1 1 10 LYS N N -2.319 1.857 -1.657 . . . 1.0 . . . . . . . . . . . . A . 10 LYS N . . . . . . . . . rr_2mce 1
. 13 . 3942 . 1 1 10 LYS NZ N -0.761 6.658 -4.023 . . . 1.0 . . . . . . . . . . . . A . 10 LYS NZ . . . . . . . . . rr_2mce 1
. 13 . 3943 . 1 1 10 LYS O O 1.204 1.747 -2.226 . . . 1.0 . . . . . . . . . . . . A . 10 LYS O . . . . . . . . . rr_2mce 1
. 13 . 3944 . 1 1 11 ARG C C 1.427 -0.413 0.066 . . . 1.0 . . . . . . . . . . . . A . 11 ARG C . . . . . . . . . rr_2mce 1
. 13 . 3945 . 1 1 11 ARG CA C 1.015 1.010 0.447 . . . 1.0 . . . . . . . . . . . . A . 11 ARG CA . . . . . . . . . rr_2mce 1
. 13 . 3946 . 1 1 11 ARG CB C 0.629 1.044 1.927 . . . 1.0 . . . . . . . . . . . . A . 11 ARG CB . . . . . . . . . rr_2mce 1
. 13 . 3947 . 1 1 11 ARG CD C 1.522 3.214 2.851 . . . 1.0 . . . . . . . . . . . . A . 11 ARG CD . . . . . . . . . rr_2mce 1
. 13 . 3948 . 1 1 11 ARG CG C 0.277 2.465 2.370 . . . 1.0 . . . . . . . . . . . . A . 11 ARG CG . . . . . . . . . rr_2mce 1
. 13 . 3949 . 1 1 11 ARG CZ C 1.315 5.493 1.844 . . . 1.0 . . . . . . . . . . . . A . 11 ARG CZ . . . . . . . . . rr_2mce 1
. 13 . 3950 . 1 1 11 ARG H H -0.974 1.494 0.064 . . . 1.0 . . . . . . . . . . . . A . 11 ARG H . . . . . . . . . rr_2mce 1
. 13 . 3951 . 1 1 11 ARG HA H 1.821 1.717 0.250 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HA . . . . . . . . . rr_2mce 1
. 13 . 3952 . 1 1 11 ARG HB2 H -0.221 0.384 2.099 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HB2 . . . . . . . . . rr_2mce 1
. 13 . 3953 . 1 1 11 ARG HB3 H 1.454 0.665 2.531 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HB3 . . . . . . . . . rr_2mce 1
. 13 . 3954 . 1 1 11 ARG HD2 H 1.818 2.851 3.836 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HD2 . . . . . . . . . rr_2mce 1
. 13 . 3955 . 1 1 11 ARG HD3 H 2.356 3.019 2.176 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HD3 . . . . . . . . . rr_2mce 1
. 13 . 3956 . 1 1 11 ARG HE H 0.999 5.062 3.793 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HE . . . . . . . . . rr_2mce 1
. 13 . 3957 . 1 1 11 ARG HG2 H -0.179 3.006 1.541 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HG2 . . . . . . . . . rr_2mce 1
. 13 . 3958 . 1 1 11 ARG HG3 H -0.461 2.428 3.171 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HG3 . . . . . . . . . rr_2mce 1
. 13 . 3959 . 1 1 11 ARG HH11 H 1.846 4.042 0.508 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HH11 . . . . . . . . . rr_2mce 1
. 13 . 3960 . 1 1 11 ARG HH12 H 1.693 5.634 -0.159 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HH12 . . . . . . . . . rr_2mce 1
. 13 . 3961 . 1 1 11 ARG HH22 H 1.076 7.452 1.275 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HH22 . . . . . . . . . rr_2mce 1
. 13 . 3962 . 1 1 11 ARG N N -0.085 1.458 -0.391 . . . 1.0 . . . . . . . . . . . . A . 11 ARG N . . . . . . . . . rr_2mce 1
. 13 . 3963 . 1 1 11 ARG NE N 1.249 4.666 2.909 . . . 1.0 . . . . . . . . . . . . A . 11 ARG NE . . . . . . . . . rr_2mce 1
. 13 . 3964 . 1 1 11 ARG NH1 N 1.647 5.015 0.626 . . . 1.0 . . . . . . . . . . . . A . 11 ARG NH1 . . . . . . . . . rr_2mce 1
. 13 . 3965 . 1 1 11 ARG NH2 N 1.050 6.775 2.011 . . . 1.0 . . . . . . . . . . . . A . 11 ARG NH2 . . . . . . . . . rr_2mce 1
. 13 . 3966 . 1 1 11 ARG O O 2.387 -0.953 0.614 . . . 1.0 . . . . . . . . . . . . A . 11 ARG O . . . . . . . . . rr_2mce 1
. 13 . 3967 . 1 1 12 HIS C C 2.317 -2.368 -2.027 . . . 1.0 . . . . . . . . . . . . A . 12 HIS C . . . . . . . . . rr_2mce 1
. 13 . 3968 . 1 1 12 HIS CA C 0.955 -2.331 -1.329 . . . 1.0 . . . . . . . . . . . . A . 12 HIS CA . . . . . . . . . rr_2mce 1
. 13 . 3969 . 1 1 12 HIS CB C -0.180 -2.844 -2.217 . . . 1.0 . . . . . . . . . . . . A . 12 HIS CB . . . . . . . . . rr_2mce 1
. 13 . 3970 . 1 1 12 HIS CD2 C -0.045 -2.832 -4.828 . . . 1.0 . . . . . . . . . . . . A . 12 HIS CD2 . . . . . . . . . rr_2mce 1
. 13 . 3971 . 1 1 12 HIS CE1 C -0.336 -0.686 -5.144 . . . 1.0 . . . . . . . . . . . . A . 12 HIS CE1 . . . . . . . . . rr_2mce 1
. 13 . 3972 . 1 1 12 HIS CG C -0.193 -2.247 -3.605 . . . 1.0 . . . . . . . . . . . . A . 12 HIS CG . . . . . . . . . rr_2mce 1
. 13 . 3973 . 1 1 12 HIS H H -0.099 -0.534 -1.310 . . . 1.0 . . . . . . . . . . . . A . 12 HIS H . . . . . . . . . rr_2mce 1
. 13 . 3974 . 1 1 12 HIS HA H 0.993 -2.962 -0.442 . . . 1.0 . . . . . . . . . . . . A . 12 HIS HA . . . . . . . . . rr_2mce 1
. 13 . 3975 . 1 1 12 HIS HB2 H -0.101 -3.928 -2.300 . . . 1.0 . . . . . . . . . . . . A . 12 HIS HB2 . . . . . . . . . rr_2mce 1
. 13 . 3976 . 1 1 12 HIS HB3 H -1.132 -2.631 -1.733 . . . 1.0 . . . . . . . . . . . . A . 12 HIS HB3 . . . . . . . . . rr_2mce 1
. 13 . 3977 . 1 1 12 HIS HD1 H -0.510 -0.194 -3.136 . . . 1.0 . . . . . . . . . . . . A . 12 HIS HD1 . . . . . . . . . rr_2mce 1
. 13 . 3978 . 1 1 12 HIS HD2 H 0.118 -3.894 -5.011 . . . 1.0 . . . . . . . . . . . . A . 12 HIS HD2 . . . . . . . . . rr_2mce 1
. 13 . 3979 . 1 1 12 HIS HE1 H -0.447 0.277 -5.643 . . . 1.0 . . . . . . . . . . . . A . 12 HIS HE1 . . . . . . . . . rr_2mce 1
. 13 . 3980 . 1 1 12 HIS N N 0.679 -0.981 -0.869 . . . 1.0 . . . . . . . . . . . . A . 12 HIS N . . . . . . . . . rr_2mce 1
. 13 . 3981 . 1 1 12 HIS ND1 N -0.373 -0.894 -3.837 . . . 1.0 . . . . . . . . . . . . A . 12 HIS ND1 . . . . . . . . . rr_2mce 1
. 13 . 3982 . 1 1 12 HIS NE2 N -0.132 -1.888 -5.758 . . . 1.0 . . . . . . . . . . . . A . 12 HIS NE2 . . . . . . . . . rr_2mce 1
. 13 . 3983 . 1 1 12 HIS O O 2.975 -3.407 -2.057 . . . 1.0 . . . . . . . . . . . . A . 12 HIS O . . . . . . . . . rr_2mce 1
. 13 . 3984 . 1 1 13 LYS C C 5.108 -1.128 -2.245 . . . 1.0 . . . . . . . . . . . . A . 13 LYS C . . . . . . . . . rr_2mce 1
. 13 . 3985 . 1 1 13 LYS CA C 3.969 -1.110 -3.266 . . . 1.0 . . . . . . . . . . . . A . 13 LYS CA . . . . . . . . . rr_2mce 1
. 13 . 3986 . 1 1 13 LYS CB C 3.976 0.121 -4.175 . . . 1.0 . . . . . . . . . . . . A . 13 LYS CB . . . . . . . . . rr_2mce 1
. 13 . 3987 . 1 1 13 LYS CD C 2.865 -1.023 -6.128 . . . 1.0 . . . . . . . . . . . . A . 13 LYS CD . . . . . . . . . rr_2mce 1
. 13 . 3988 . 1 1 13 LYS CE C 4.064 -0.828 -7.059 . . . 1.0 . . . . . . . . . . . . A . 13 LYS CE . . . . . . . . . rr_2mce 1
. 13 . 3989 . 1 1 13 LYS CG C 2.768 0.118 -5.113 . . . 1.0 . . . . . . . . . . . . A . 13 LYS CG . . . . . . . . . rr_2mce 1
. 13 . 3990 . 1 1 13 LYS H H 2.156 -0.382 -2.543 . . . 1.0 . . . . . . . . . . . . A . 13 LYS H . . . . . . . . . rr_2mce 1
. 13 . 3991 . 1 1 13 LYS HA H 4.068 -1.985 -3.909 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HA . . . . . . . . . rr_2mce 1
. 13 . 3992 . 1 1 13 LYS HB2 H 3.967 1.026 -3.567 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HB2 . . . . . . . . . rr_2mce 1
. 13 . 3993 . 1 1 13 LYS HB3 H 4.896 0.140 -4.760 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HB3 . . . . . . . . . rr_2mce 1
. 13 . 3994 . 1 1 13 LYS HD2 H 2.958 -1.974 -5.604 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HD2 . . . . . . . . . rr_2mce 1
. 13 . 3995 . 1 1 13 LYS HD3 H 1.948 -1.070 -6.717 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HD3 . . . . . . . . . rr_2mce 1
. 13 . 3996 . 1 1 13 LYS HE2 H 4.328 0.229 -7.105 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HE2 . . . . . . . . . rr_2mce 1
. 13 . 3997 . 1 1 13 LYS HE3 H 4.930 -1.356 -6.660 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HE3 . . . . . . . . . rr_2mce 1
. 13 . 3998 . 1 1 13 LYS HG2 H 1.852 0.014 -4.532 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HG2 . . . . . . . . . rr_2mce 1
. 13 . 3999 . 1 1 13 LYS HG3 H 2.707 1.071 -5.637 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HG3 . . . . . . . . . rr_2mce 1
. 13 . 4000 . 1 1 13 LYS HZ1 H 3.582 -0.570 -9.069 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HZ1 . . . . . . . . . rr_2mce 1
. 13 . 4001 . 1 1 13 LYS HZ3 H 2.928 -1.916 -8.425 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HZ3 . . . . . . . . . rr_2mce 1
. 13 . 4002 . 1 1 13 LYS N N 2.698 -1.222 -2.572 . . . 1.0 . . . . . . . . . . . . A . 13 LYS N . . . . . . . . . rr_2mce 1
. 13 . 4003 . 1 1 13 LYS NZ N 3.753 -1.327 -8.416 . . . 1.0 . . . . . . . . . . . . A . 13 LYS NZ . . . . . . . . . rr_2mce 1
. 13 . 4004 . 1 1 13 LYS O O 6.240 -1.472 -2.578 . . . 1.0 . . . . . . . . . . . . A . 13 LYS O . . . . . . . . . rr_2mce 1
. 13 . 4005 . 1 1 14 THR C C 6.062 -2.140 0.528 . . . 1.0 . . . . . . . . . . . . A . 14 THR C . . . . . . . . . rr_2mce 1
. 13 . 4006 . 1 1 14 THR CA C 5.746 -0.721 0.052 . . . 1.0 . . . . . . . . . . . . A . 14 THR CA . . . . . . . . . rr_2mce 1
. 13 . 4007 . 1 1 14 THR CB C 5.206 0.186 1.159 . . . 1.0 . . . . . . . . . . . . A . 14 THR CB . . . . . . . . . rr_2mce 1
. 13 . 4008 . 1 1 14 THR CG2 C 6.188 0.339 2.323 . . . 1.0 . . . . . . . . . . . . A . 14 THR CG2 . . . . . . . . . rr_2mce 1
. 13 . 4009 . 1 1 14 THR H H 3.844 -0.474 -0.758 . . . 1.0 . . . . . . . . . . . . A . 14 THR H . . . . . . . . . rr_2mce 1
. 13 . 4010 . 1 1 14 THR HA H 6.673 -0.302 -0.341 . . . 1.0 . . . . . . . . . . . . A . 14 THR HA . . . . . . . . . rr_2mce 1
. 13 . 4011 . 1 1 14 THR HB H 4.236 -0.166 1.512 . . . 1.0 . . . . . . . . . . . . A . 14 THR HB . . . . . . . . . rr_2mce 1
. 13 . 4012 . 1 1 14 THR HG1 H 4.748 1.427 -0.342 . . . 1.0 . . . . . . . . . . . . A . 14 THR HG1 . . . . . . . . . rr_2mce 1
. 13 . 4013 . 1 1 14 THR HG21 H 7.055 -0.299 2.152 . . . 1.0 . . . . . . . . . . . . A . 14 THR HG21 . . . . . . . . . rr_2mce 1
. 13 . 4014 . 1 1 14 THR HG22 H 6.509 1.378 2.393 . . . 1.0 . . . . . . . . . . . . A . 14 THR HG22 . . . . . . . . . rr_2mce 1
. 13 . 4015 . 1 1 14 THR HG23 H 5.699 0.046 3.252 . . . 1.0 . . . . . . . . . . . . A . 14 THR HG23 . . . . . . . . . rr_2mce 1
. 13 . 4016 . 1 1 14 THR N N 4.767 -0.752 -1.021 . . . 1.0 . . . . . . . . . . . . A . 14 THR N . . . . . . . . . rr_2mce 1
. 13 . 4017 . 1 1 14 THR O O 7.130 -2.388 1.086 . . . 1.0 . . . . . . . . . . . . A . 14 THR O . . . . . . . . . rr_2mce 1
. 13 . 4018 . 1 1 14 THR OG1 O 5.171 1.479 0.563 . . . 1.0 . . . . . . . . . . . . A . 14 THR OG1 . . . . . . . . . rr_2mce 1
. 13 . 4019 . 1 1 15 ASP C C 6.250 -5.112 -0.270 . . . 1.0 . . . . . . . . . . . . A . 15 ASP C . . . . . . . . . rr_2mce 1
. 13 . 4020 . 1 1 15 ASP CA C 5.277 -4.422 0.689 . . . 1.0 . . . . . . . . . . . . A . 15 ASP CA . . . . . . . . . rr_2mce 1
. 13 . 4021 . 1 1 15 ASP CB C 3.945 -5.172 0.631 . . . 1.0 . . . . . . . . . . . . A . 15 ASP CB . . . . . . . . . rr_2mce 1
. 13 . 4022 . 1 1 15 ASP CG C 3.010 -4.924 1.817 . . . 1.0 . . . . . . . . . . . . A . 15 ASP CG . . . . . . . . . rr_2mce 1
. 13 . 4023 . 1 1 15 ASP H H 4.248 -2.824 -0.163 . . . 1.0 . . . . . . . . . . . . A . 15 ASP H . . . . . . . . . rr_2mce 1
. 13 . 4024 . 1 1 15 ASP HA H 5.654 -4.385 1.710 . . . 1.0 . . . . . . . . . . . . A . 15 ASP HA . . . . . . . . . rr_2mce 1
. 13 . 4025 . 1 1 15 ASP HB2 H 3.426 -4.890 -0.286 . . . 1.0 . . . . . . . . . . . . A . 15 ASP HB2 . . . . . . . . . rr_2mce 1
. 13 . 4026 . 1 1 15 ASP HB3 H 4.149 -6.241 0.565 . . . 1.0 . . . . . . . . . . . . A . 15 ASP HB3 . . . . . . . . . rr_2mce 1
. 13 . 4027 . 1 1 15 ASP HD2 H 1.900 -3.445 1.461 . . . 1.0 . . . . . . . . . . . . A . 15 ASP HD2 . . . . . . . . . rr_2mce 1
. 13 . 4028 . 1 1 15 ASP N N 5.113 -3.034 0.291 . . . 1.0 . . . . . . . . . . . . A . 15 ASP N . . . . . . . . . rr_2mce 1
. 13 . 4029 . 1 1 15 ASP O O 6.929 -6.065 0.109 . . . 1.0 . . . . . . . . . . . . A . 15 ASP O . . . . . . . . . rr_2mce 1
. 13 . 4030 . 1 1 15 ASP OD1 O 2.604 -5.863 2.516 . . . 1.0 . . . . . . . . . . . . A . 15 ASP OD1 . . . . . . . . . rr_2mce 1
. 13 . 4031 . 1 1 15 ASP OD2 O 2.697 -3.689 2.015 . . . 1.0 . . . . . . . . . . . . A . 15 ASP OD2 . . . . . . . . . rr_2mce 1
. 13 . 4032 . 1 1 16 SER C C 8.609 -4.735 -2.238 . . . 1.0 . . . . . . . . . . . . A . 16 SER C . . . . . . . . . rr_2mce 1
. 13 . 4033 . 1 1 16 SER CA C 7.164 -5.159 -2.508 . . . 1.0 . . . . . . . . . . . . A . 16 SER CA . . . . . . . . . rr_2mce 1
. 13 . 4034 . 1 1 16 SER CB C 6.736 -4.716 -3.909 . . . 1.0 . . . . . . . . . . . . A . 16 SER CB . . . . . . . . . rr_2mce 1
. 13 . 4035 . 1 1 16 SER H H 5.730 -3.828 -1.792 . . . 1.0 . . . . . . . . . . . . A . 16 SER H . . . . . . . . . rr_2mce 1
. 13 . 4036 . 1 1 16 SER HA H 7.059 -6.239 -2.422 . . . 1.0 . . . . . . . . . . . . A . 16 SER HA . . . . . . . . . rr_2mce 1
. 13 . 4037 . 1 1 16 SER HB2 H 5.747 -4.260 -3.858 . . . 1.0 . . . . . . . . . . . . A . 16 SER HB2 . . . . . . . . . rr_2mce 1
. 13 . 4038 . 1 1 16 SER HB3 H 7.420 -3.950 -4.272 . . . 1.0 . . . . . . . . . . . . A . 16 SER HB3 . . . . . . . . . rr_2mce 1
. 13 . 4039 . 1 1 16 SER HG H 6.414 -5.485 -5.728 . . . 1.0 . . . . . . . . . . . . A . 16 SER HG . . . . . . . . . rr_2mce 1
. 13 . 4040 . 1 1 16 SER N N 6.286 -4.603 -1.493 . . . 1.0 . . . . . . . . . . . . A . 16 SER N . . . . . . . . . rr_2mce 1
. 13 . 4041 . 1 1 16 SER O O 9.547 -5.385 -2.699 . . . 1.0 . . . . . . . . . . . . A . 16 SER O . . . . . . . . . rr_2mce 1
. 13 . 4042 . 1 1 16 SER OG O 6.710 -5.804 -4.828 . . . 1.0 . . . . . . . . . . . . A . 16 SER OG . . . . . . . . . rr_2mce 1
. 13 . 4043 . 1 1 17 PHE C C 10.729 -3.995 -0.079 . . . 1.0 . . . . . . . . . . . . A . 17 PHE C . . . . . . . . . rr_2mce 1
. 13 . 4044 . 1 1 17 PHE CA C 10.061 -3.133 -1.153 . . . 1.0 . . . . . . . . . . . . A . 17 PHE CA . . . . . . . . . rr_2mce 1
. 13 . 4045 . 1 1 17 PHE CB C 9.859 -1.720 -0.602 . . . 1.0 . . . . . . . . . . . . A . 17 PHE CB . . . . . . . . . rr_2mce 1
. 13 . 4046 . 1 1 17 PHE CD1 C 12.106 -0.732 -1.096 . . . 1.0 . . . . . . . . . . . . A . 17 PHE CD1 . . . . . . . . . rr_2mce 1
. 13 . 4047 . 1 1 17 PHE CD2 C 10.206 0.339 -1.985 . . . 1.0 . . . . . . . . . . . . A . 17 PHE CD2 . . . . . . . . . rr_2mce 1
. 13 . 4048 . 1 1 17 PHE CE1 C 12.940 0.247 -1.698 . . . 1.0 . . . . . . . . . . . . A . 17 PHE CE1 . . . . . . . . . rr_2mce 1
. 13 . 4049 . 1 1 17 PHE CE2 C 11.039 1.317 -2.588 . . . 1.0 . . . . . . . . . . . . A . 17 PHE CE2 . . . . . . . . . rr_2mce 1
. 13 . 4050 . 1 1 17 PHE CG C 10.757 -0.665 -1.252 . . . 1.0 . . . . . . . . . . . . A . 17 PHE CG . . . . . . . . . rr_2mce 1
. 13 . 4051 . 1 1 17 PHE CZ C 12.388 1.252 -2.433 . . . 1.0 . . . . . . . . . . . . A . 17 PHE CZ . . . . . . . . . rr_2mce 1
. 13 . 4052 . 1 1 17 PHE H H 7.978 -3.128 -1.118 . . . 1.0 . . . . . . . . . . . . A . 17 PHE H . . . . . . . . . rr_2mce 1
. 13 . 4053 . 1 1 17 PHE HA H 10.661 -3.159 -2.062 . . . 1.0 . . . . . . . . . . . . A . 17 PHE HA . . . . . . . . . rr_2mce 1
. 13 . 4054 . 1 1 17 PHE HB2 H 8.817 -1.432 -0.743 . . . 1.0 . . . . . . . . . . . . A . 17 PHE HB2 . . . . . . . . . rr_2mce 1
. 13 . 4055 . 1 1 17 PHE HB3 H 10.044 -1.729 0.472 . . . 1.0 . . . . . . . . . . . . A . 17 PHE HB3 . . . . . . . . . rr_2mce 1
. 13 . 4056 . 1 1 17 PHE HD1 H 12.548 -1.536 -0.508 . . . 1.0 . . . . . . . . . . . . A . 17 PHE HD1 . . . . . . . . . rr_2mce 1
. 13 . 4057 . 1 1 17 PHE HD2 H 9.124 0.392 -2.110 . . . 1.0 . . . . . . . . . . . . A . 17 PHE HD2 . . . . . . . . . rr_2mce 1
. 13 . 4058 . 1 1 17 PHE HE1 H 14.021 0.194 -1.573 . . . 1.0 . . . . . . . . . . . . A . 17 PHE HE1 . . . . . . . . . rr_2mce 1
. 13 . 4059 . 1 1 17 PHE HE2 H 10.598 2.122 -3.176 . . . 1.0 . . . . . . . . . . . . A . 17 PHE HE2 . . . . . . . . . rr_2mce 1
. 13 . 4060 . 1 1 17 PHE HZ H 13.028 2.002 -2.895 . . . 1.0 . . . . . . . . . . . . A . 17 PHE HZ . . . . . . . . . rr_2mce 1
. 13 . 4061 . 1 1 17 PHE N N 8.745 -3.650 -1.490 . . . 1.0 . . . . . . . . . . . . A . 17 PHE N . . . . . . . . . rr_2mce 1
. 13 . 4062 . 1 1 17 PHE O O 11.953 -4.002 0.044 . . . 1.0 . . . . . . . . . . . . A . 17 PHE O . . . . . . . . . rr_2mce 1
. 13 . 4063 . 1 1 18 VAL C C 11.021 -6.813 1.112 . . . 1.0 . . . . . . . . . . . . A . 18 VAL C . . . . . . . . . rr_2mce 1
. 13 . 4064 . 1 1 18 VAL CA C 10.392 -5.564 1.731 . . . 1.0 . . . . . . . . . . . . A . 18 VAL CA . . . . . . . . . rr_2mce 1
. 13 . 4065 . 1 1 18 VAL CB C 9.264 -5.886 2.713 . . . 1.0 . . . . . . . . . . . . A . 18 VAL CB . . . . . . . . . rr_2mce 1
. 13 . 4066 . 1 1 18 VAL CG1 C 9.817 -6.488 4.006 . . . 1.0 . . . . . . . . . . . . A . 18 VAL CG1 . . . . . . . . . rr_2mce 1
. 13 . 4067 . 1 1 18 VAL CG2 C 8.418 -4.644 3.004 . . . 1.0 . . . . . . . . . . . . A . 18 VAL CG2 . . . . . . . . . rr_2mce 1
. 13 . 4068 . 1 1 18 VAL H H 8.902 -4.689 0.565 . . . 1.0 . . . . . . . . . . . . A . 18 VAL H . . . . . . . . . rr_2mce 1
. 13 . 4069 . 1 1 18 VAL HA H 11.162 -5.013 2.270 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HA . . . . . . . . . rr_2mce 1
. 13 . 4070 . 1 1 18 VAL HB H 8.616 -6.630 2.247 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HB . . . . . . . . . rr_2mce 1
. 13 . 4071 . 1 1 18 VAL HG11 H 10.301 -5.707 4.591 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HG11 . . . . . . . . . rr_2mce 1
. 13 . 4072 . 1 1 18 VAL HG12 H 9.002 -6.923 4.583 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HG12 . . . . . . . . . rr_2mce 1
. 13 . 4073 . 1 1 18 VAL HG13 H 10.544 -7.264 3.763 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HG13 . . . . . . . . . rr_2mce 1
. 13 . 4074 . 1 1 18 VAL HG21 H 7.443 -4.748 2.526 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HG21 . . . . . . . . . rr_2mce 1
. 13 . 4075 . 1 1 18 VAL HG22 H 8.285 -4.540 4.081 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HG22 . . . . . . . . . rr_2mce 1
. 13 . 4076 . 1 1 18 VAL HG23 H 8.923 -3.762 2.612 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HG23 . . . . . . . . . rr_2mce 1
. 13 . 4077 . 1 1 18 VAL N N 9.896 -4.701 0.672 . . . 1.0 . . . . . . . . . . . . A . 18 VAL N . . . . . . . . . rr_2mce 1
. 13 . 4078 . 1 1 18 VAL O O 11.950 -7.389 1.677 . . . 1.0 . . . . . . . . . . . . A . 18 VAL O . . . . . . . . . rr_2mce 1
. 13 . 4079 . 1 1 19 GLY C C 12.194 -8.010 -1.616 . . . 1.0 . . . . . . . . . . . . A . 19 GLY C . . . . . . . . . rr_2mce 1
. 13 . 4080 . 1 1 19 GLY CA C 10.990 -8.366 -0.742 . . . 1.0 . . . . . . . . . . . . A . 19 GLY CA . . . . . . . . . rr_2mce 1
. 13 . 4081 . 1 1 19 GLY H H 9.735 -6.721 -0.494 . . . 1.0 . . . . . . . . . . . . A . 19 GLY H . . . . . . . . . rr_2mce 1
. 13 . 4082 . 1 1 19 GLY HA2 H 11.273 -9.133 -0.022 . . . 1.0 . . . . . . . . . . . . A . 19 GLY HA2 . . . . . . . . . rr_2mce 1
. 13 . 4083 . 1 1 19 GLY HA3 H 10.198 -8.787 -1.361 . . . 1.0 . . . . . . . . . . . . A . 19 GLY HA3 . . . . . . . . . rr_2mce 1
. 13 . 4084 . 1 1 19 GLY N N 10.491 -7.195 -0.041 . . . 1.0 . . . . . . . . . . . . A . 19 GLY N . . . . . . . . . rr_2mce 1
. 13 . 4085 . 1 1 19 GLY O O 12.769 -8.878 -2.271 . . . 1.0 . . . . . . . . . . . . A . 19 GLY O . . . . . . . . . rr_2mce 1
. 13 . 4086 . 1 1 20 LEU C C 14.941 -6.336 -1.539 . . . 1.0 . . . . . . . . . . . . A . 20 LEU C . . . . . . . . . rr_2mce 1
. 13 . 4087 . 1 1 20 LEU CA C 13.666 -6.249 -2.380 . . . 1.0 . . . . . . . . . . . . A . 20 LEU CA . . . . . . . . . rr_2mce 1
. 13 . 4088 . 1 1 20 LEU CB C 13.381 -4.848 -2.921 . . . 1.0 . . . . . . . . . . . . A . 20 LEU CB . . . . . . . . . rr_2mce 1
. 13 . 4089 . 1 1 20 LEU CD1 C 11.702 -3.565 -4.299 . . . 1.0 . . . . . . . . . . . . A . 20 LEU CD1 . . . . . . . . . rr_2mce 1
. 13 . 4090 . 1 1 20 LEU CD2 C 13.599 -4.809 -5.434 . . . 1.0 . . . . . . . . . . . . A . 20 LEU CD2 . . . . . . . . . rr_2mce 1
. 13 . 4091 . 1 1 20 LEU CG C 12.629 -4.782 -4.252 . . . 1.0 . . . . . . . . . . . . A . 20 LEU CG . . . . . . . . . rr_2mce 1
. 13 . 4092 . 1 1 20 LEU H H 12.068 -6.032 -1.062 . . . 1.0 . . . . . . . . . . . . A . 20 LEU H . . . . . . . . . rr_2mce 1
. 13 . 4093 . 1 1 20 LEU HA H 13.773 -6.911 -3.239 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HA . . . . . . . . . rr_2mce 1
. 13 . 4094 . 1 1 20 LEU HB2 H 12.806 -4.301 -2.174 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HB2 . . . . . . . . . rr_2mce 1
. 13 . 4095 . 1 1 20 LEU HB3 H 14.331 -4.324 -3.038 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HB3 . . . . . . . . . rr_2mce 1
. 13 . 4096 . 1 1 20 LEU HD11 H 11.996 -2.855 -3.526 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HD11 . . . . . . . . . rr_2mce 1
. 13 . 4097 . 1 1 20 LEU HD12 H 11.776 -3.091 -5.277 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HD12 . . . . . . . . . rr_2mce 1
. 13 . 4098 . 1 1 20 LEU HD13 H 10.674 -3.884 -4.125 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HD13 . . . . . . . . . rr_2mce 1
. 13 . 4099 . 1 1 20 LEU HD21 H 14.164 -3.876 -5.461 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HD21 . . . . . . . . . rr_2mce 1
. 13 . 4100 . 1 1 20 LEU HD22 H 14.287 -5.646 -5.320 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HD22 . . . . . . . . . rr_2mce 1
. 13 . 4101 . 1 1 20 LEU HD23 H 13.039 -4.922 -6.362 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HD23 . . . . . . . . . rr_2mce 1
. 13 . 4102 . 1 1 20 LEU HG H 11.999 -5.669 -4.332 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HG . . . . . . . . . rr_2mce 1
. 13 . 4103 . 1 1 20 LEU N N 12.541 -6.731 -1.597 . . . 1.0 . . . . . . . . . . . . A . 20 LEU N . . . . . . . . . rr_2mce 1
. 13 . 4104 . 1 1 20 LEU O O 16.043 -6.404 -2.081 . . . 1.0 . . . . . . . . . . . . A . 20 LEU O . . . . . . . . . rr_2mce 1
. 13 . 4105 . 1 1 21 MET C C 16.508 -7.799 0.664 . . . 1.0 . . . . . . . . . . . . A . 21 MET C . . . . . . . . . rr_2mce 1
. 13 . 4106 . 1 1 21 MET CA C 15.869 -6.409 0.693 . . . 1.0 . . . . . . . . . . . . A . 21 MET CA . . . . . . . . . rr_2mce 1
. 13 . 4107 . 1 1 21 MET CB C 15.386 -6.099 2.112 . . . 1.0 . . . . . . . . . . . . A . 21 MET CB . . . . . . . . . rr_2mce 1
. 13 . 4108 . 1 1 21 MET CE C 16.350 -2.367 1.366 . . . 1.0 . . . . . . . . . . . . A . 21 MET CE . . . . . . . . . rr_2mce 1
. 13 . 4109 . 1 1 21 MET CG C 15.963 -4.772 2.609 . . . 1.0 . . . . . . . . . . . . A . 21 MET CG . . . . . . . . . rr_2mce 1
. 13 . 4110 . 1 1 21 MET H H 13.849 -6.276 0.205 . . . 1.0 . . . . . . . . . . . . A . 21 MET H . . . . . . . . . rr_2mce 1
. 13 . 4111 . 1 1 21 MET HA H 16.585 -5.665 0.346 . . . 1.0 . . . . . . . . . . . . A . 21 MET HA . . . . . . . . . rr_2mce 1
. 13 . 4112 . 1 1 21 MET HB2 H 14.298 -6.055 2.128 . . . 1.0 . . . . . . . . . . . . A . 21 MET HB2 . . . . . . . . . rr_2mce 1
. 13 . 4113 . 1 1 21 MET HB3 H 15.683 -6.904 2.785 . . . 1.0 . . . . . . . . . . . . A . 21 MET HB3 . . . . . . . . . rr_2mce 1
. 13 . 4114 . 1 1 21 MET HE1 H 16.733 -2.758 0.423 . . . 1.0 . . . . . . . . . . . . A . 21 MET HE1 . . . . . . . . . rr_2mce 1
. 13 . 4115 . 1 1 21 MET HE2 H 15.977 -1.354 1.216 . . . 1.0 . . . . . . . . . . . . A . 21 MET HE2 . . . . . . . . . rr_2mce 1
. 13 . 4116 . 1 1 21 MET HE3 H 17.149 -2.353 2.106 . . . 1.0 . . . . . . . . . . . . A . 21 MET HE3 . . . . . . . . . rr_2mce 1
. 13 . 4117 . 1 1 21 MET HG2 H 15.944 -4.743 3.699 . . . 1.0 . . . . . . . . . . . . A . 21 MET HG2 . . . . . . . . . rr_2mce 1
. 13 . 4118 . 1 1 21 MET HG3 H 17.007 -4.685 2.308 . . . 1.0 . . . . . . . . . . . . A . 21 MET HG3 . . . . . . . . . rr_2mce 1
. 13 . 4119 . 1 1 21 MET N N 14.748 -6.332 -0.228 . . . 1.0 . . . . . . . . . . . . A . 21 MET N . . . . . . . . . rr_2mce 1
. 13 . 4120 . 1 1 21 MET O O 17.102 -8.235 1.650 . . . 1.0 . . . . . . . . . . . . A . 21 MET O . . . . . . . . . rr_2mce 1
. 13 . 4121 . 1 1 21 MET SD S 15.021 -3.409 1.945 . . . 1.0 . . . . . . . . . . . . A . 21 MET SD . . . . . . . . . rr_2mce 1
. 14 . 4122 . 1 1 1 ASP C C -14.382 9.373 0.822 . . . 1.0 . . . . . . . . . . . . A . 1 ASP C . . . . . . . . . rr_2mce 1
. 14 . 4123 . 1 1 1 ASP CA C -14.719 10.445 -0.216 . . . 1.0 . . . . . . . . . . . . A . 1 ASP CA . . . . . . . . . rr_2mce 1
. 14 . 4124 . 1 1 1 ASP CB C -16.106 11.002 0.113 . . . 1.0 . . . . . . . . . . . . A . 1 ASP CB . . . . . . . . . rr_2mce 1
. 14 . 4125 . 1 1 1 ASP CG C -16.194 12.528 0.162 . . . 1.0 . . . . . . . . . . . . A . 1 ASP CG . . . . . . . . . rr_2mce 1
. 14 . 4126 . 1 1 1 ASP H1 H -14.956 10.469 -2.285 . . . 1.0 . . . . . . . . . . . . A . 1 ASP H1 . . . . . . . . . rr_2mce 1
. 14 . 4127 . 1 1 1 ASP HA H -13.980 11.244 -0.246 . . . 1.0 . . . . . . . . . . . . A . 1 ASP HA . . . . . . . . . rr_2mce 1
. 14 . 4128 . 1 1 1 ASP HB2 H -16.814 10.636 -0.631 . . . 1.0 . . . . . . . . . . . . A . 1 ASP HB2 . . . . . . . . . rr_2mce 1
. 14 . 4129 . 1 1 1 ASP HB3 H -16.422 10.603 1.077 . . . 1.0 . . . . . . . . . . . . A . 1 ASP HB3 . . . . . . . . . rr_2mce 1
. 14 . 4130 . 1 1 1 ASP HD2 H -14.445 13.213 0.032 . . . 1.0 . . . . . . . . . . . . A . 1 ASP HD2 . . . . . . . . . rr_2mce 1
. 14 . 4131 . 1 1 1 ASP N N -14.694 9.853 -1.543 . . . 1.0 . . . . . . . . . . . . A . 1 ASP N . . . . . . . . . rr_2mce 1
. 14 . 4132 . 1 1 1 ASP O O -13.532 9.585 1.686 . . . 1.0 . . . . . . . . . . . . A . 1 ASP O . . . . . . . . . rr_2mce 1
. 14 . 4133 . 1 1 1 ASP OD1 O -17.181 13.127 -0.292 . . . 1.0 . . . . . . . . . . . . A . 1 ASP OD1 . . . . . . . . . rr_2mce 1
. 14 . 4134 . 1 1 1 ASP OD2 O -15.181 13.116 0.703 . . . 1.0 . . . . . . . . . . . . A . 1 ASP OD2 . . . . . . . . . rr_2mce 1
. 14 . 4135 . 1 1 2 ALA C C -13.756 6.226 1.065 . . . 1.0 . . . . . . . . . . . . A . 2 ALA C . . . . . . . . . rr_2mce 1
. 14 . 4136 . 1 1 2 ALA CA C -14.850 7.139 1.623 . . . 1.0 . . . . . . . . . . . . A . 2 ALA CA . . . . . . . . . rr_2mce 1
. 14 . 4137 . 1 1 2 ALA CB C -16.169 6.399 1.850 . . . 1.0 . . . . . . . . . . . . A . 2 ALA CB . . . . . . . . . rr_2mce 1
. 14 . 4138 . 1 1 2 ALA H H -15.756 8.080 0.000 . . . 1.0 . . . . . . . . . . . . A . 2 ALA H . . . . . . . . . rr_2mce 1
. 14 . 4139 . 1 1 2 ALA HA H -14.514 7.557 2.572 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HA . . . . . . . . . rr_2mce 1
. 14 . 4140 . 1 1 2 ALA HB1 H -16.731 6.891 2.644 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HB1 . . . . . . . . . rr_2mce 1
. 14 . 4141 . 1 1 2 ALA HB2 H -16.754 6.409 0.930 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HB2 . . . . . . . . . rr_2mce 1
. 14 . 4142 . 1 1 2 ALA HB3 H -15.962 5.367 2.138 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HB3 . . . . . . . . . rr_2mce 1
. 14 . 4143 . 1 1 2 ALA N N -15.066 8.245 0.705 . . . 1.0 . . . . . . . . . . . . A . 2 ALA N . . . . . . . . . rr_2mce 1
. 14 . 4144 . 1 1 2 ALA O O -13.320 5.292 1.737 . . . 1.0 . . . . . . . . . . . . A . 2 ALA O . . . . . . . . . rr_2mce 1
. 14 . 4145 . 1 1 3 GLY C C -10.939 6.021 -0.196 . . . 1.0 . . . . . . . . . . . . A . 3 GLY C . . . . . . . . . rr_2mce 1
. 14 . 4146 . 1 1 3 GLY CA C -12.311 5.743 -0.813 . . . 1.0 . . . . . . . . . . . . A . 3 GLY CA . . . . . . . . . rr_2mce 1
. 14 . 4147 . 1 1 3 GLY H H -13.706 7.287 -0.697 . . . 1.0 . . . . . . . . . . . . A . 3 GLY H . . . . . . . . . rr_2mce 1
. 14 . 4148 . 1 1 3 GLY HA2 H -12.545 4.683 -0.728 . . . 1.0 . . . . . . . . . . . . A . 3 GLY HA2 . . . . . . . . . rr_2mce 1
. 14 . 4149 . 1 1 3 GLY HA3 H -12.290 5.982 -1.877 . . . 1.0 . . . . . . . . . . . . A . 3 GLY HA3 . . . . . . . . . rr_2mce 1
. 14 . 4150 . 1 1 3 GLY N N -13.345 6.526 -0.158 . . . 1.0 . . . . . . . . . . . . A . 3 GLY N . . . . . . . . . rr_2mce 1
. 14 . 4151 . 1 1 3 GLY O O -9.936 5.449 -0.620 . . . 1.0 . . . . . . . . . . . . A . 3 GLY O . . . . . . . . . rr_2mce 1
. 14 . 4152 . 1 1 4 HIS C C -9.171 6.047 2.243 . . . 1.0 . . . . . . . . . . . . A . 4 HIS C . . . . . . . . . rr_2mce 1
. 14 . 4153 . 1 1 4 HIS CA C -9.707 7.259 1.477 . . . 1.0 . . . . . . . . . . . . A . 4 HIS CA . . . . . . . . . rr_2mce 1
. 14 . 4154 . 1 1 4 HIS CB C -9.918 8.480 2.374 . . . 1.0 . . . . . . . . . . . . A . 4 HIS CB . . . . . . . . . rr_2mce 1
. 14 . 4155 . 1 1 4 HIS CD2 C -11.648 8.113 4.299 . . . 1.0 . . . . . . . . . . . . A . 4 HIS CD2 . . . . . . . . . rr_2mce 1
. 14 . 4156 . 1 1 4 HIS CE1 C -10.242 7.558 5.880 . . . 1.0 . . . . . . . . . . . . A . 4 HIS CE1 . . . . . . . . . rr_2mce 1
. 14 . 4157 . 1 1 4 HIS CG C -10.392 8.144 3.769 . . . 1.0 . . . . . . . . . . . . A . 4 HIS CG . . . . . . . . . rr_2mce 1
. 14 . 4158 . 1 1 4 HIS H H -11.759 7.359 1.136 . . . 1.0 . . . . . . . . . . . . A . 4 HIS H . . . . . . . . . rr_2mce 1
. 14 . 4159 . 1 1 4 HIS HA H -8.991 7.535 0.704 . . . 1.0 . . . . . . . . . . . . A . 4 HIS HA . . . . . . . . . rr_2mce 1
. 14 . 4160 . 1 1 4 HIS HB2 H -8.982 9.034 2.443 . . . 1.0 . . . . . . . . . . . . A . 4 HIS HB2 . . . . . . . . . rr_2mce 1
. 14 . 4161 . 1 1 4 HIS HB3 H -10.646 9.142 1.904 . . . 1.0 . . . . . . . . . . . . A . 4 HIS HB3 . . . . . . . . . rr_2mce 1
. 14 . 4162 . 1 1 4 HIS HD1 H -8.532 7.722 4.715 . . . 1.0 . . . . . . . . . . . . A . 4 HIS HD1 . . . . . . . . . rr_2mce 1
. 14 . 4163 . 1 1 4 HIS HD2 H -12.571 8.341 3.766 . . . 1.0 . . . . . . . . . . . . A . 4 HIS HD2 . . . . . . . . . rr_2mce 1
. 14 . 4164 . 1 1 4 HIS HE1 H -9.847 7.260 6.853 . . . 1.0 . . . . . . . . . . . . A . 4 HIS HE1 . . . . . . . . . rr_2mce 1
. 14 . 4165 . 1 1 4 HIS N N -10.939 6.898 0.798 . . . 1.0 . . . . . . . . . . . . A . 4 HIS N . . . . . . . . . rr_2mce 1
. 14 . 4166 . 1 1 4 HIS ND1 N -9.527 7.790 4.789 . . . 1.0 . . . . . . . . . . . . A . 4 HIS ND1 . . . . . . . . . rr_2mce 1
. 14 . 4167 . 1 1 4 HIS NE2 N -11.555 7.758 5.575 . . . 1.0 . . . . . . . . . . . . A . 4 HIS NE2 . . . . . . . . . rr_2mce 1
. 14 . 4168 . 1 1 4 HIS O O -7.977 5.969 2.532 . . . 1.0 . . . . . . . . . . . . A . 4 HIS O . . . . . . . . . rr_2mce 1
. 14 . 4169 . 1 1 5 GLY C C -8.952 2.953 2.373 . . . 1.0 . . . . . . . . . . . . A . 5 GLY C . . . . . . . . . rr_2mce 1
. 14 . 4170 . 1 1 5 GLY CA C -9.712 3.928 3.276 . . . 1.0 . . . . . . . . . . . . A . 5 GLY CA . . . . . . . . . rr_2mce 1
. 14 . 4171 . 1 1 5 GLY H H -11.047 5.203 2.312 . . . 1.0 . . . . . . . . . . . . A . 5 GLY H . . . . . . . . . rr_2mce 1
. 14 . 4172 . 1 1 5 GLY HA2 H -9.094 4.191 4.135 . . . 1.0 . . . . . . . . . . . . A . 5 GLY HA2 . . . . . . . . . rr_2mce 1
. 14 . 4173 . 1 1 5 GLY HA3 H -10.609 3.446 3.664 . . . 1.0 . . . . . . . . . . . . A . 5 GLY HA3 . . . . . . . . . rr_2mce 1
. 14 . 4174 . 1 1 5 GLY N N -10.079 5.132 2.550 . . . 1.0 . . . . . . . . . . . . A . 5 GLY N . . . . . . . . . rr_2mce 1
. 14 . 4175 . 1 1 5 GLY O O -8.288 2.040 2.861 . . . 1.0 . . . . . . . . . . . . A . 5 GLY O . . . . . . . . . rr_2mce 1
. 14 . 4176 . 1 1 6 GLN C C -6.909 2.634 0.074 . . . 1.0 . . . . . . . . . . . . A . 6 GLN C . . . . . . . . . rr_2mce 1
. 14 . 4177 . 1 1 6 GLN CA C -8.409 2.335 0.099 . . . 1.0 . . . . . . . . . . . . A . 6 GLN CA . . . . . . . . . rr_2mce 1
. 14 . 4178 . 1 1 6 GLN CB C -9.026 2.507 -1.290 . . . 1.0 . . . . . . . . . . . . A . 6 GLN CB . . . . . . . . . rr_2mce 1
. 14 . 4179 . 1 1 6 GLN CD C -10.768 0.820 -0.601 . . . 1.0 . . . . . . . . . . . . A . 6 GLN CD . . . . . . . . . rr_2mce 1
. 14 . 4180 . 1 1 6 GLN CG C -10.518 2.171 -1.272 . . . 1.0 . . . . . . . . . . . . A . 6 GLN CG . . . . . . . . . rr_2mce 1
. 14 . 4181 . 1 1 6 GLN H H -9.617 3.927 0.686 . . . 1.0 . . . . . . . . . . . . A . 6 GLN H . . . . . . . . . rr_2mce 1
. 14 . 4182 . 1 1 6 GLN HA H -8.576 1.313 0.440 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HA . . . . . . . . . rr_2mce 1
. 14 . 4183 . 1 1 6 GLN HB2 H -8.885 3.534 -1.629 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HB2 . . . . . . . . . rr_2mce 1
. 14 . 4184 . 1 1 6 GLN HB3 H -8.512 1.863 -2.003 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HB3 . . . . . . . . . rr_2mce 1
. 14 . 4185 . 1 1 6 GLN HE21 H -9.596 -0.044 -2.008 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HE21 . . . . . . . . . rr_2mce 1
. 14 . 4186 . 1 1 6 GLN HE22 H -10.259 -1.126 -0.830 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HE22 . . . . . . . . . rr_2mce 1
. 14 . 4187 . 1 1 6 GLN HG2 H -11.065 2.951 -0.742 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HG2 . . . . . . . . . rr_2mce 1
. 14 . 4188 . 1 1 6 GLN HG3 H -10.901 2.150 -2.293 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HG3 . . . . . . . . . rr_2mce 1
. 14 . 4189 . 1 1 6 GLN N N -9.075 3.182 1.074 . . . 1.0 . . . . . . . . . . . . A . 6 GLN N . . . . . . . . . rr_2mce 1
. 14 . 4190 . 1 1 6 GLN NE2 N -10.157 -0.201 -1.195 . . . 1.0 . . . . . . . . . . . . A . 6 GLN NE2 . . . . . . . . . rr_2mce 1
. 14 . 4191 . 1 1 6 GLN O O -6.117 1.821 -0.400 . . . 1.0 . . . . . . . . . . . . A . 6 GLN O . . . . . . . . . rr_2mce 1
. 14 . 4192 . 1 1 6 GLN OE1 O -11.468 0.711 0.392 . . . 1.0 . . . . . . . . . . . . A . 6 GLN OE1 . . . . . . . . . rr_2mce 1
. 14 . 4193 . 1 1 7 ILE C C -4.390 3.285 1.557 . . . 1.0 . . . . . . . . . . . . A . 7 ILE C . . . . . . . . . rr_2mce 1
. 14 . 4194 . 1 1 7 ILE CA C -5.171 4.221 0.634 . . . 1.0 . . . . . . . . . . . . A . 7 ILE CA . . . . . . . . . rr_2mce 1
. 14 . 4195 . 1 1 7 ILE CB C -5.065 5.697 1.023 . . . 1.0 . . . . . . . . . . . . A . 7 ILE CB . . . . . . . . . rr_2mce 1
. 14 . 4196 . 1 1 7 ILE CD1 C -5.254 6.481 -1.366 . . . 1.0 . . . . . . . . . . . . A . 7 ILE CD1 . . . . . . . . . rr_2mce 1
. 14 . 4197 . 1 1 7 ILE CG1 C -5.841 6.579 0.043 . . . 1.0 . . . . . . . . . . . . A . 7 ILE CG1 . . . . . . . . . rr_2mce 1
. 14 . 4198 . 1 1 7 ILE CG2 C -3.602 6.128 1.149 . . . 1.0 . . . . . . . . . . . . A . 7 ILE CG2 . . . . . . . . . rr_2mce 1
. 14 . 4199 . 1 1 7 ILE H H -7.212 4.461 0.976 . . . 1.0 . . . . . . . . . . . . A . 7 ILE H . . . . . . . . . rr_2mce 1
. 14 . 4200 . 1 1 7 ILE HA H -4.770 4.125 -0.376 . . . 1.0 . . . . . . . . . . . . A . 7 ILE HA . . . . . . . . . rr_2mce 1
. 14 . 4201 . 1 1 7 ILE HB H -5.524 5.825 2.004 . . . 1.0 . . . . . . . . . . . . A . 7 ILE HB . . . . . . . . . rr_2mce 1
. 14 . 4202 . 1 1 7 ILE HD11 H -5.757 5.683 -1.915 . . . 1.0 . . . . . . . . . . . . A . 7 ILE HD11 . . . . . . . . . rr_2mce 1
. 14 . 4203 . 1 1 7 ILE HD12 H -5.398 7.427 -1.887 . . . 1.0 . . . . . . . . . . . . A . 7 ILE HD12 . . . . . . . . . rr_2mce 1
. 14 . 4204 . 1 1 7 ILE HD13 H -4.189 6.261 -1.302 . . . 1.0 . . . . . . . . . . . . A . 7 ILE HD13 . . . . . . . . . rr_2mce 1
. 14 . 4205 . 1 1 7 ILE HG12 H -6.889 6.278 0.027 . . . 1.0 . . . . . . . . . . . . A . 7 ILE HG12 . . . . . . . . . rr_2mce 1
. 14 . 4206 . 1 1 7 ILE HG13 H -5.814 7.616 0.380 . . . 1.0 . . . . . . . . . . . . A . 7 ILE HG13 . . . . . . . . . rr_2mce 1
. 14 . 4207 . 1 1 7 ILE HG21 H -3.369 6.319 2.196 . . . 1.0 . . . . . . . . . . . . A . 7 ILE HG21 . . . . . . . . . rr_2mce 1
. 14 . 4208 . 1 1 7 ILE HG22 H -2.957 5.335 0.772 . . . 1.0 . . . . . . . . . . . . A . 7 ILE HG22 . . . . . . . . . rr_2mce 1
. 14 . 4209 . 1 1 7 ILE HG23 H -3.440 7.036 0.568 . . . 1.0 . . . . . . . . . . . . A . 7 ILE HG23 . . . . . . . . . rr_2mce 1
. 14 . 4210 . 1 1 7 ILE N N -6.562 3.805 0.590 . . . 1.0 . . . . . . . . . . . . A . 7 ILE N . . . . . . . . . rr_2mce 1
. 14 . 4211 . 1 1 7 ILE O O -3.161 3.282 1.550 . . . 1.0 . . . . . . . . . . . . A . 7 ILE O . . . . . . . . . rr_2mce 1
. 14 . 4212 . 1 1 8 SER C C -4.206 0.260 2.538 . . . 1.0 . . . . . . . . . . . . A . 8 SER C . . . . . . . . . rr_2mce 1
. 14 . 4213 . 1 1 8 SER CA C -4.530 1.570 3.258 . . . 1.0 . . . . . . . . . . . . A . 8 SER CA . . . . . . . . . rr_2mce 1
. 14 . 4214 . 1 1 8 SER CB C -5.448 1.307 4.454 . . . 1.0 . . . . . . . . . . . . A . 8 SER CB . . . . . . . . . rr_2mce 1
. 14 . 4215 . 1 1 8 SER H H -6.137 2.518 2.331 . . . 1.0 . . . . . . . . . . . . A . 8 SER H . . . . . . . . . rr_2mce 1
. 14 . 4216 . 1 1 8 SER HA H -3.616 2.054 3.603 . . . 1.0 . . . . . . . . . . . . A . 8 SER HA . . . . . . . . . rr_2mce 1
. 14 . 4217 . 1 1 8 SER HB2 H -6.374 1.868 4.330 . . . 1.0 . . . . . . . . . . . . A . 8 SER HB2 . . . . . . . . . rr_2mce 1
. 14 . 4218 . 1 1 8 SER HB3 H -5.716 0.250 4.479 . . . 1.0 . . . . . . . . . . . . A . 8 SER HB3 . . . . . . . . . rr_2mce 1
. 14 . 4219 . 1 1 8 SER HG H -4.873 0.901 6.328 . . . 1.0 . . . . . . . . . . . . A . 8 SER HG . . . . . . . . . rr_2mce 1
. 14 . 4220 . 1 1 8 SER N N -5.137 2.510 2.331 . . . 1.0 . . . . . . . . . . . . A . 8 SER N . . . . . . . . . rr_2mce 1
. 14 . 4221 . 1 1 8 SER O O -3.335 -0.492 2.973 . . . 1.0 . . . . . . . . . . . . A . 8 SER O . . . . . . . . . rr_2mce 1
. 14 . 4222 . 1 1 8 SER OG O -4.835 1.669 5.688 . . . 1.0 . . . . . . . . . . . . A . 8 SER OG . . . . . . . . . rr_2mce 1
. 14 . 4223 . 1 1 9 HIS C C -3.552 -0.977 -0.298 . . . 1.0 . . . . . . . . . . . . A . 9 HIS C . . . . . . . . . rr_2mce 1
. 14 . 4224 . 1 1 9 HIS CA C -4.723 -1.179 0.665 . . . 1.0 . . . . . . . . . . . . A . 9 HIS CA . . . . . . . . . rr_2mce 1
. 14 . 4225 . 1 1 9 HIS CB C -6.015 -1.585 -0.048 . . . 1.0 . . . . . . . . . . . . A . 9 HIS CB . . . . . . . . . rr_2mce 1
. 14 . 4226 . 1 1 9 HIS CD2 C -5.579 -1.889 -2.608 . . . 1.0 . . . . . . . . . . . . A . 9 HIS CD2 . . . . . . . . . rr_2mce 1
. 14 . 4227 . 1 1 9 HIS CE1 C -6.482 -0.022 -3.301 . . . 1.0 . . . . . . . . . . . . A . 9 HIS CE1 . . . . . . . . . rr_2mce 1
. 14 . 4228 . 1 1 9 HIS CG C -6.046 -1.221 -1.513 . . . 1.0 . . . . . . . . . . . . A . 9 HIS CG . . . . . . . . . rr_2mce 1
. 14 . 4229 . 1 1 9 HIS H H -5.630 0.644 1.103 . . . 1.0 . . . . . . . . . . . . A . 9 HIS H . . . . . . . . . rr_2mce 1
. 14 . 4230 . 1 1 9 HIS HA H -4.470 -1.972 1.370 . . . 1.0 . . . . . . . . . . . . A . 9 HIS HA . . . . . . . . . rr_2mce 1
. 14 . 4231 . 1 1 9 HIS HB2 H -6.150 -2.661 0.052 . . . 1.0 . . . . . . . . . . . . A . 9 HIS HB2 . . . . . . . . . rr_2mce 1
. 14 . 4232 . 1 1 9 HIS HB3 H -6.858 -1.109 0.452 . . . 1.0 . . . . . . . . . . . . A . 9 HIS HB3 . . . . . . . . . rr_2mce 1
. 14 . 4233 . 1 1 9 HIS HD1 H -7.040 0.659 -1.423 . . . 1.0 . . . . . . . . . . . . A . 9 HIS HD1 . . . . . . . . . rr_2mce 1
. 14 . 4234 . 1 1 9 HIS HD2 H -5.072 -2.854 -2.597 . . . 1.0 . . . . . . . . . . . . A . 9 HIS HD2 . . . . . . . . . rr_2mce 1
. 14 . 4235 . 1 1 9 HIS HE1 H -6.827 0.774 -3.963 . . . 1.0 . . . . . . . . . . . . A . 9 HIS HE1 . . . . . . . . . rr_2mce 1
. 14 . 4236 . 1 1 9 HIS N N -4.923 0.027 1.449 . . . 1.0 . . . . . . . . . . . . A . 9 HIS N . . . . . . . . . rr_2mce 1
. 14 . 4237 . 1 1 9 HIS ND1 N -6.610 -0.048 -1.983 . . . 1.0 . . . . . . . . . . . . A . 9 HIS ND1 . . . . . . . . . rr_2mce 1
. 14 . 4238 . 1 1 9 HIS NE2 N -5.843 -1.163 -3.687 . . . 1.0 . . . . . . . . . . . . A . 9 HIS NE2 . . . . . . . . . rr_2mce 1
. 14 . 4239 . 1 1 9 HIS O O -3.020 -1.941 -0.846 . . . 1.0 . . . . . . . . . . . . A . 9 HIS O . . . . . . . . . rr_2mce 1
. 14 . 4240 . 1 1 10 LYS C C -0.761 0.424 -0.627 . . . 1.0 . . . . . . . . . . . . A . 10 LYS C . . . . . . . . . rr_2mce 1
. 14 . 4241 . 1 1 10 LYS CA C -2.087 0.625 -1.363 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CA . . . . . . . . . rr_2mce 1
. 14 . 4242 . 1 1 10 LYS CB C -2.271 2.037 -1.924 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CB . . . . . . . . . rr_2mce 1
. 14 . 4243 . 1 1 10 LYS CD C -3.605 3.492 -3.493 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CD . . . . . . . . . rr_2mce 1
. 14 . 4244 . 1 1 10 LYS CE C -4.682 3.516 -4.580 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CE . . . . . . . . . rr_2mce 1
. 14 . 4245 . 1 1 10 LYS CG C -3.396 2.073 -2.959 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CG . . . . . . . . . rr_2mce 1
. 14 . 4246 . 1 1 10 LYS H H -3.623 1.063 -0.026 . . . 1.0 . . . . . . . . . . . . A . 10 LYS H . . . . . . . . . rr_2mce 1
. 14 . 4247 . 1 1 10 LYS HA H -2.122 -0.063 -2.206 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HA . . . . . . . . . rr_2mce 1
. 14 . 4248 . 1 1 10 LYS HB2 H -2.496 2.729 -1.112 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HB2 . . . . . . . . . rr_2mce 1
. 14 . 4249 . 1 1 10 LYS HB3 H -1.341 2.375 -2.380 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HB3 . . . . . . . . . rr_2mce 1
. 14 . 4250 . 1 1 10 LYS HD2 H -3.894 4.153 -2.676 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HD2 . . . . . . . . . rr_2mce 1
. 14 . 4251 . 1 1 10 LYS HD3 H -2.667 3.874 -3.896 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HD3 . . . . . . . . . rr_2mce 1
. 14 . 4252 . 1 1 10 LYS HE2 H -4.249 3.214 -5.534 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HE2 . . . . . . . . . rr_2mce 1
. 14 . 4253 . 1 1 10 LYS HE3 H -5.463 2.795 -4.342 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HE3 . . . . . . . . . rr_2mce 1
. 14 . 4254 . 1 1 10 LYS HG2 H -3.158 1.402 -3.785 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HG2 . . . . . . . . . rr_2mce 1
. 14 . 4255 . 1 1 10 LYS HG3 H -4.320 1.711 -2.509 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HG3 . . . . . . . . . rr_2mce 1
. 14 . 4256 . 1 1 10 LYS HZ1 H -4.608 5.536 -5.085 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HZ1 . . . . . . . . . rr_2mce 1
. 14 . 4257 . 1 1 10 LYS HZ3 H -5.565 5.235 -3.801 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HZ3 . . . . . . . . . rr_2mce 1
. 14 . 4258 . 1 1 10 LYS N N -3.185 0.284 -0.476 . . . 1.0 . . . . . . . . . . . . A . 10 LYS N . . . . . . . . . rr_2mce 1
. 14 . 4259 . 1 1 10 LYS NZ N -5.267 4.870 -4.699 . . . 1.0 . . . . . . . . . . . . A . 10 LYS NZ . . . . . . . . . rr_2mce 1
. 14 . 4260 . 1 1 10 LYS O O 0.306 0.456 -1.240 . . . 1.0 . . . . . . . . . . . . A . 10 LYS O . . . . . . . . . rr_2mce 1
. 14 . 4261 . 1 1 11 ARG C C 1.002 -1.294 1.122 . . . 1.0 . . . . . . . . . . . . A . 11 ARG C . . . . . . . . . rr_2mce 1
. 14 . 4262 . 1 1 11 ARG CA C 0.309 0.015 1.503 . . . 1.0 . . . . . . . . . . . . A . 11 ARG CA . . . . . . . . . rr_2mce 1
. 14 . 4263 . 1 1 11 ARG CB C -0.059 -0.025 2.988 . . . 1.0 . . . . . . . . . . . . A . 11 ARG CB . . . . . . . . . rr_2mce 1
. 14 . 4264 . 1 1 11 ARG CD C -1.211 -1.353 4.796 . . . 1.0 . . . . . . . . . . . . A . 11 ARG CD . . . . . . . . . rr_2mce 1
. 14 . 4265 . 1 1 11 ARG CG C -0.670 -1.376 3.365 . . . 1.0 . . . . . . . . . . . . A . 11 ARG CG . . . . . . . . . rr_2mce 1
. 14 . 4266 . 1 1 11 ARG CZ C -1.472 -3.819 5.125 . . . 1.0 . . . . . . . . . . . . A . 11 ARG CZ . . . . . . . . . rr_2mce 1
. 14 . 4267 . 1 1 11 ARG H H -1.739 0.198 1.170 . . . 1.0 . . . . . . . . . . . . A . 11 ARG H . . . . . . . . . rr_2mce 1
. 14 . 4268 . 1 1 11 ARG HA H 0.948 0.873 1.296 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HA . . . . . . . . . rr_2mce 1
. 14 . 4269 . 1 1 11 ARG HB2 H 0.829 0.158 3.592 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HB2 . . . . . . . . . rr_2mce 1
. 14 . 4270 . 1 1 11 ARG HB3 H -0.768 0.772 3.212 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HB3 . . . . . . . . . rr_2mce 1
. 14 . 4271 . 1 1 11 ARG HD2 H -0.761 -0.530 5.350 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HD2 . . . . . . . . . rr_2mce 1
. 14 . 4272 . 1 1 11 ARG HD3 H -2.287 -1.179 4.783 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HD3 . . . . . . . . . rr_2mce 1
. 14 . 4273 . 1 1 11 ARG HE H -0.265 -2.630 6.229 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HE . . . . . . . . . rr_2mce 1
. 14 . 4274 . 1 1 11 ARG HG2 H -1.474 -1.623 2.672 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HG2 . . . . . . . . . rr_2mce 1
. 14 . 4275 . 1 1 11 ARG HG3 H 0.084 -2.158 3.271 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HG3 . . . . . . . . . rr_2mce 1
. 14 . 4276 . 1 1 11 ARG HH11 H -2.607 -3.061 3.604 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HH11 . . . . . . . . . rr_2mce 1
. 14 . 4277 . 1 1 11 ARG HH12 H -2.764 -4.767 3.858 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HH12 . . . . . . . . . rr_2mce 1
. 14 . 4278 . 1 1 11 ARG HH22 H -1.500 -5.816 5.603 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HH22 . . . . . . . . . rr_2mce 1
. 14 . 4279 . 1 1 11 ARG N N -0.868 0.222 0.678 . . . 1.0 . . . . . . . . . . . . A . 11 ARG N . . . . . . . . . rr_2mce 1
. 14 . 4280 . 1 1 11 ARG NE N -0.917 -2.637 5.470 . . . 1.0 . . . . . . . . . . . . A . 11 ARG NE . . . . . . . . . rr_2mce 1
. 14 . 4281 . 1 1 11 ARG NH1 N -2.357 -3.888 4.107 . . . 1.0 . . . . . . . . . . . . A . 11 ARG NH1 . . . . . . . . . rr_2mce 1
. 14 . 4282 . 1 1 11 ARG NH2 N -1.136 -4.904 5.796 . . . 1.0 . . . . . . . . . . . . A . 11 ARG NH2 . . . . . . . . . rr_2mce 1
. 14 . 4283 . 1 1 11 ARG O O 2.119 -1.561 1.563 . . . 1.0 . . . . . . . . . . . . A . 11 ARG O . . . . . . . . . rr_2mce 1
. 14 . 4284 . 1 1 12 HIS C C 2.066 -3.112 -1.032 . . . 1.0 . . . . . . . . . . . . A . 12 HIS C . . . . . . . . . rr_2mce 1
. 14 . 4285 . 1 1 12 HIS CA C 0.846 -3.352 -0.141 . . . 1.0 . . . . . . . . . . . . A . 12 HIS CA . . . . . . . . . rr_2mce 1
. 14 . 4286 . 1 1 12 HIS CB C -0.237 -4.185 -0.829 . . . 1.0 . . . . . . . . . . . . A . 12 HIS CB . . . . . . . . . rr_2mce 1
. 14 . 4287 . 1 1 12 HIS CD2 C -0.742 -2.255 -2.519 . . . 1.0 . . . . . . . . . . . . A . 12 HIS CD2 . . . . . . . . . rr_2mce 1
. 14 . 4288 . 1 1 12 HIS CE1 C -2.639 -3.013 -3.301 . . . 1.0 . . . . . . . . . . . . A . 12 HIS CE1 . . . . . . . . . rr_2mce 1
. 14 . 4289 . 1 1 12 HIS CG C -1.011 -3.432 -1.886 . . . 1.0 . . . . . . . . . . . . A . 12 HIS CG . . . . . . . . . rr_2mce 1
. 14 . 4290 . 1 1 12 HIS H H -0.597 -1.853 -0.048 . . . 1.0 . . . . . . . . . . . . A . 12 HIS H . . . . . . . . . rr_2mce 1
. 14 . 4291 . 1 1 12 HIS HA H 1.159 -3.890 0.754 . . . 1.0 . . . . . . . . . . . . A . 12 HIS HA . . . . . . . . . rr_2mce 1
. 14 . 4292 . 1 1 12 HIS HB2 H 0.227 -5.059 -1.286 . . . 1.0 . . . . . . . . . . . . A . 12 HIS HB2 . . . . . . . . . rr_2mce 1
. 14 . 4293 . 1 1 12 HIS HB3 H -0.934 -4.551 -0.075 . . . 1.0 . . . . . . . . . . . . A . 12 HIS HB3 . . . . . . . . . rr_2mce 1
. 14 . 4294 . 1 1 12 HIS HD1 H -2.681 -4.729 -2.135 . . . 1.0 . . . . . . . . . . . . A . 12 HIS HD1 . . . . . . . . . rr_2mce 1
. 14 . 4295 . 1 1 12 HIS HD2 H 0.133 -1.626 -2.350 . . . 1.0 . . . . . . . . . . . . A . 12 HIS HD2 . . . . . . . . . rr_2mce 1
. 14 . 4296 . 1 1 12 HIS HE1 H -3.558 -3.088 -3.881 . . . 1.0 . . . . . . . . . . . . A . 12 HIS HE1 . . . . . . . . . rr_2mce 1
. 14 . 4297 . 1 1 12 HIS N N 0.310 -2.077 0.306 . . . 1.0 . . . . . . . . . . . . A . 12 HIS N . . . . . . . . . rr_2mce 1
. 14 . 4298 . 1 1 12 HIS ND1 N -2.214 -3.886 -2.399 . . . 1.0 . . . . . . . . . . . . A . 12 HIS ND1 . . . . . . . . . rr_2mce 1
. 14 . 4299 . 1 1 12 HIS NE2 N -1.725 -2.003 -3.373 . . . 1.0 . . . . . . . . . . . . A . 12 HIS NE2 . . . . . . . . . rr_2mce 1
. 14 . 4300 . 1 1 12 HIS O O 2.816 -4.041 -1.327 . . . 1.0 . . . . . . . . . . . . A . 12 HIS O . . . . . . . . . rr_2mce 1
. 14 . 4301 . 1 1 13 LYS C C 4.625 -1.446 -1.453 . . . 1.0 . . . . . . . . . . . . A . 13 LYS C . . . . . . . . . rr_2mce 1
. 14 . 4302 . 1 1 13 LYS CA C 3.343 -1.487 -2.287 . . . 1.0 . . . . . . . . . . . . A . 13 LYS CA . . . . . . . . . rr_2mce 1
. 14 . 4303 . 1 1 13 LYS CB C 3.045 -0.178 -3.020 . . . 1.0 . . . . . . . . . . . . A . 13 LYS CB . . . . . . . . . rr_2mce 1
. 14 . 4304 . 1 1 13 LYS CD C 1.764 0.776 -4.972 . . . 1.0 . . . . . . . . . . . . A . 13 LYS CD . . . . . . . . . rr_2mce 1
. 14 . 4305 . 1 1 13 LYS CE C 0.546 0.360 -5.799 . . . 1.0 . . . . . . . . . . . . A . 13 LYS CE . . . . . . . . . rr_2mce 1
. 14 . 4306 . 1 1 13 LYS CG C 2.501 -0.448 -4.424 . . . 1.0 . . . . . . . . . . . . A . 13 LYS CG . . . . . . . . . rr_2mce 1
. 14 . 4307 . 1 1 13 LYS H H 1.613 -1.111 -1.191 . . . 1.0 . . . . . . . . . . . . A . 13 LYS H . . . . . . . . . rr_2mce 1
. 14 . 4308 . 1 1 13 LYS HA H 3.450 -2.264 -3.045 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HA . . . . . . . . . rr_2mce 1
. 14 . 4309 . 1 1 13 LYS HB2 H 2.320 0.404 -2.452 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HB2 . . . . . . . . . rr_2mce 1
. 14 . 4310 . 1 1 13 LYS HB3 H 3.952 0.421 -3.087 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HB3 . . . . . . . . . rr_2mce 1
. 14 . 4311 . 1 1 13 LYS HD2 H 1.447 1.414 -4.146 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HD2 . . . . . . . . . rr_2mce 1
. 14 . 4312 . 1 1 13 LYS HD3 H 2.442 1.367 -5.588 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HD3 . . . . . . . . . rr_2mce 1
. 14 . 4313 . 1 1 13 LYS HE2 H 0.829 -0.423 -6.504 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HE2 . . . . . . . . . rr_2mce 1
. 14 . 4314 . 1 1 13 LYS HE3 H -0.218 -0.060 -5.146 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HE3 . . . . . . . . . rr_2mce 1
. 14 . 4315 . 1 1 13 LYS HG2 H 3.321 -0.712 -5.092 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HG2 . . . . . . . . . rr_2mce 1
. 14 . 4316 . 1 1 13 LYS HG3 H 1.824 -1.302 -4.398 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HG3 . . . . . . . . . rr_2mce 1
. 14 . 4317 . 1 1 13 LYS HZ1 H -0.598 2.096 -5.946 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HZ1 . . . . . . . . . rr_2mce 1
. 14 . 4318 . 1 1 13 LYS HZ3 H -0.564 1.237 -7.330 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HZ3 . . . . . . . . . rr_2mce 1
. 14 . 4319 . 1 1 13 LYS N N 2.228 -1.861 -1.435 . . . 1.0 . . . . . . . . . . . . A . 13 LYS N . . . . . . . . . rr_2mce 1
. 14 . 4320 . 1 1 13 LYS NZ N -0.003 1.521 -6.534 . . . 1.0 . . . . . . . . . . . . A . 13 LYS NZ . . . . . . . . . rr_2mce 1
. 14 . 4321 . 1 1 13 LYS O O 5.724 -1.568 -1.989 . . . 1.0 . . . . . . . . . . . . A . 13 LYS O . . . . . . . . . rr_2mce 1
. 14 . 4322 . 1 1 14 THR C C 6.146 -2.611 0.988 . . . 1.0 . . . . . . . . . . . . A . 14 THR C . . . . . . . . . rr_2mce 1
. 14 . 4323 . 1 1 14 THR CA C 5.568 -1.212 0.763 . . . 1.0 . . . . . . . . . . . . A . 14 THR CA . . . . . . . . . rr_2mce 1
. 14 . 4324 . 1 1 14 THR CB C 5.096 -0.535 2.051 . . . 1.0 . . . . . . . . . . . . A . 14 THR CB . . . . . . . . . rr_2mce 1
. 14 . 4325 . 1 1 14 THR CG2 C 6.157 -0.570 3.154 . . . 1.0 . . . . . . . . . . . . A . 14 THR CG2 . . . . . . . . . rr_2mce 1
. 14 . 4326 . 1 1 14 THR H H 3.542 -1.173 0.277 . . . 1.0 . . . . . . . . . . . . A . 14 THR H . . . . . . . . . rr_2mce 1
. 14 . 4327 . 1 1 14 THR HA H 6.352 -0.613 0.302 . . . 1.0 . . . . . . . . . . . . A . 14 THR HA . . . . . . . . . rr_2mce 1
. 14 . 4328 . 1 1 14 THR HB H 4.159 -0.971 2.399 . . . 1.0 . . . . . . . . . . . . A . 14 THR HB . . . . . . . . . rr_2mce 1
. 14 . 4329 . 1 1 14 THR HG1 H 4.043 1.097 1.572 . . . 1.0 . . . . . . . . . . . . A . 14 THR HG1 . . . . . . . . . rr_2mce 1
. 14 . 4330 . 1 1 14 THR HG21 H 7.017 -1.147 2.812 . . . 1.0 . . . . . . . . . . . . A . 14 THR HG21 . . . . . . . . . rr_2mce 1
. 14 . 4331 . 1 1 14 THR HG22 H 6.471 0.447 3.388 . . . 1.0 . . . . . . . . . . . . A . 14 THR HG22 . . . . . . . . . rr_2mce 1
. 14 . 4332 . 1 1 14 THR HG23 H 5.739 -1.037 4.046 . . . 1.0 . . . . . . . . . . . . A . 14 THR HG23 . . . . . . . . . rr_2mce 1
. 14 . 4333 . 1 1 14 THR N N 4.440 -1.272 -0.151 . . . 1.0 . . . . . . . . . . . . A . 14 THR N . . . . . . . . . rr_2mce 1
. 14 . 4334 . 1 1 14 THR O O 7.319 -2.753 1.333 . . . 1.0 . . . . . . . . . . . . A . 14 THR O . . . . . . . . . rr_2mce 1
. 14 . 4335 . 1 1 14 THR OG1 O 5.001 0.843 1.705 . . . 1.0 . . . . . . . . . . . . A . 14 THR OG1 . . . . . . . . . rr_2mce 1
. 14 . 4336 . 1 1 15 ASP C C 6.584 -5.412 -0.224 . . . 1.0 . . . . . . . . . . . . A . 15 ASP C . . . . . . . . . rr_2mce 1
. 14 . 4337 . 1 1 15 ASP CA C 5.711 -4.990 0.959 . . . 1.0 . . . . . . . . . . . . A . 15 ASP CA . . . . . . . . . rr_2mce 1
. 14 . 4338 . 1 1 15 ASP CB C 4.499 -5.924 1.009 . . . 1.0 . . . . . . . . . . . . A . 15 ASP CB . . . . . . . . . rr_2mce 1
. 14 . 4339 . 1 1 15 ASP CG C 3.754 -5.945 2.345 . . . 1.0 . . . . . . . . . . . . A . 15 ASP CG . . . . . . . . . rr_2mce 1
. 14 . 4340 . 1 1 15 ASP H H 4.346 -3.483 0.502 . . . 1.0 . . . . . . . . . . . . A . 15 ASP H . . . . . . . . . rr_2mce 1
. 14 . 4341 . 1 1 15 ASP HA H 6.251 -5.009 1.905 . . . 1.0 . . . . . . . . . . . . A . 15 ASP HA . . . . . . . . . rr_2mce 1
. 14 . 4342 . 1 1 15 ASP HB2 H 3.801 -5.631 0.225 . . . 1.0 . . . . . . . . . . . . A . 15 ASP HB2 . . . . . . . . . rr_2mce 1
. 14 . 4343 . 1 1 15 ASP HB3 H 4.830 -6.937 0.778 . . . 1.0 . . . . . . . . . . . . A . 15 ASP HB3 . . . . . . . . . rr_2mce 1
. 14 . 4344 . 1 1 15 ASP HD2 H 3.217 -4.394 3.267 . . . 1.0 . . . . . . . . . . . . A . 15 ASP HD2 . . . . . . . . . rr_2mce 1
. 14 . 4345 . 1 1 15 ASP N N 5.298 -3.608 0.783 . . . 1.0 . . . . . . . . . . . . A . 15 ASP N . . . . . . . . . rr_2mce 1
. 14 . 4346 . 1 1 15 ASP O O 7.440 -6.285 -0.089 . . . 1.0 . . . . . . . . . . . . A . 15 ASP O . . . . . . . . . rr_2mce 1
. 14 . 4347 . 1 1 15 ASP OD1 O 3.964 -6.838 3.179 . . . 1.0 . . . . . . . . . . . . A . 15 ASP OD1 . . . . . . . . . rr_2mce 1
. 14 . 4348 . 1 1 15 ASP OD2 O 2.915 -4.981 2.516 . . . 1.0 . . . . . . . . . . . . A . 15 ASP OD2 . . . . . . . . . rr_2mce 1
. 14 . 4349 . 1 1 16 SER C C 8.495 -4.463 -2.467 . . . 1.0 . . . . . . . . . . . . A . 16 SER C . . . . . . . . . rr_2mce 1
. 14 . 4350 . 1 1 16 SER CA C 7.093 -5.068 -2.563 . . . 1.0 . . . . . . . . . . . . A . 16 SER CA . . . . . . . . . rr_2mce 1
. 14 . 4351 . 1 1 16 SER CB C 6.372 -4.544 -3.807 . . . 1.0 . . . . . . . . . . . . A . 16 SER CB . . . . . . . . . rr_2mce 1
. 14 . 4352 . 1 1 16 SER H H 5.642 -4.061 -1.460 . . . 1.0 . . . . . . . . . . . . A . 16 SER H . . . . . . . . . rr_2mce 1
. 14 . 4353 . 1 1 16 SER HA H 7.149 -6.156 -2.608 . . . 1.0 . . . . . . . . . . . . A . 16 SER HA . . . . . . . . . rr_2mce 1
. 14 . 4354 . 1 1 16 SER HB2 H 5.306 -4.754 -3.723 . . . 1.0 . . . . . . . . . . . . A . 16 SER HB2 . . . . . . . . . rr_2mce 1
. 14 . 4355 . 1 1 16 SER HB3 H 6.482 -3.462 -3.860 . . . 1.0 . . . . . . . . . . . . A . 16 SER HB3 . . . . . . . . . rr_2mce 1
. 14 . 4356 . 1 1 16 SER HG H 7.147 -6.079 -4.833 . . . 1.0 . . . . . . . . . . . . A . 16 SER HG . . . . . . . . . rr_2mce 1
. 14 . 4357 . 1 1 16 SER N N 6.339 -4.771 -1.358 . . . 1.0 . . . . . . . . . . . . A . 16 SER N . . . . . . . . . rr_2mce 1
. 14 . 4358 . 1 1 16 SER O O 9.415 -4.906 -3.153 . . . 1.0 . . . . . . . . . . . . A . 16 SER O . . . . . . . . . rr_2mce 1
. 14 . 4359 . 1 1 16 SER OG O 6.878 -5.131 -5.003 . . . 1.0 . . . . . . . . . . . . A . 16 SER OG . . . . . . . . . rr_2mce 1
. 14 . 4360 . 1 1 17 PHE C C 10.839 -3.649 -0.586 . . . 1.0 . . . . . . . . . . . . A . 17 PHE C . . . . . . . . . rr_2mce 1
. 14 . 4361 . 1 1 17 PHE CA C 9.887 -2.787 -1.417 . . . 1.0 . . . . . . . . . . . . A . 17 PHE CA . . . . . . . . . rr_2mce 1
. 14 . 4362 . 1 1 17 PHE CB C 9.598 -1.490 -0.658 . . . 1.0 . . . . . . . . . . . . A . 17 PHE CB . . . . . . . . . rr_2mce 1
. 14 . 4363 . 1 1 17 PHE CD1 C 10.014 0.026 -2.606 . . . 1.0 . . . . . . . . . . . . A . 17 PHE CD1 . . . . . . . . . rr_2mce 1
. 14 . 4364 . 1 1 17 PHE CD2 C 10.989 0.589 -0.537 . . . 1.0 . . . . . . . . . . . . A . 17 PHE CD2 . . . . . . . . . rr_2mce 1
. 14 . 4365 . 1 1 17 PHE CE1 C 10.595 1.181 -3.194 . . . 1.0 . . . . . . . . . . . . A . 17 PHE CE1 . . . . . . . . . rr_2mce 1
. 14 . 4366 . 1 1 17 PHE CE2 C 11.570 1.743 -1.124 . . . 1.0 . . . . . . . . . . . . A . 17 PHE CE2 . . . . . . . . . rr_2mce 1
. 14 . 4367 . 1 1 17 PHE CG C 10.223 -0.245 -1.290 . . . 1.0 . . . . . . . . . . . . A . 17 PHE CG . . . . . . . . . rr_2mce 1
. 14 . 4368 . 1 1 17 PHE CZ C 11.360 2.016 -2.440 . . . 1.0 . . . . . . . . . . . . A . 17 PHE CZ . . . . . . . . . rr_2mce 1
. 14 . 4369 . 1 1 17 PHE H H 7.860 -3.104 -1.058 . . . 1.0 . . . . . . . . . . . . A . 17 PHE H . . . . . . . . . rr_2mce 1
. 14 . 4370 . 1 1 17 PHE HA H 10.318 -2.619 -2.404 . . . 1.0 . . . . . . . . . . . . A . 17 PHE HA . . . . . . . . . rr_2mce 1
. 14 . 4371 . 1 1 17 PHE HB2 H 8.518 -1.350 -0.596 . . . 1.0 . . . . . . . . . . . . A . 17 PHE HB2 . . . . . . . . . rr_2mce 1
. 14 . 4372 . 1 1 17 PHE HB3 H 9.965 -1.589 0.364 . . . 1.0 . . . . . . . . . . . . A . 17 PHE HB3 . . . . . . . . . rr_2mce 1
. 14 . 4373 . 1 1 17 PHE HD1 H 9.400 -0.642 -3.211 . . . 1.0 . . . . . . . . . . . . A . 17 PHE HD1 . . . . . . . . . rr_2mce 1
. 14 . 4374 . 1 1 17 PHE HD2 H 11.157 0.370 0.518 . . . 1.0 . . . . . . . . . . . . A . 17 PHE HD2 . . . . . . . . . rr_2mce 1
. 14 . 4375 . 1 1 17 PHE HE1 H 10.427 1.399 -4.248 . . . 1.0 . . . . . . . . . . . . A . 17 PHE HE1 . . . . . . . . . rr_2mce 1
. 14 . 4376 . 1 1 17 PHE HE2 H 12.183 2.412 -0.521 . . . 1.0 . . . . . . . . . . . . A . 17 PHE HE2 . . . . . . . . . rr_2mce 1
. 14 . 4377 . 1 1 17 PHE HZ H 11.807 2.902 -2.891 . . . 1.0 . . . . . . . . . . . . A . 17 PHE HZ . . . . . . . . . rr_2mce 1
. 14 . 4378 . 1 1 17 PHE N N 8.613 -3.458 -1.612 . . . 1.0 . . . . . . . . . . . . A . 17 PHE N . . . . . . . . . rr_2mce 1
. 14 . 4379 . 1 1 17 PHE O O 12.056 -3.480 -0.656 . . . 1.0 . . . . . . . . . . . . A . 17 PHE O . . . . . . . . . rr_2mce 1
. 14 . 4380 . 1 1 18 VAL C C 11.830 -6.404 0.144 . . . 1.0 . . . . . . . . . . . . A . 18 VAL C . . . . . . . . . rr_2mce 1
. 14 . 4381 . 1 1 18 VAL CA C 11.031 -5.442 1.026 . . . 1.0 . . . . . . . . . . . . A . 18 VAL CA . . . . . . . . . rr_2mce 1
. 14 . 4382 . 1 1 18 VAL CB C 10.115 -6.161 2.019 . . . 1.0 . . . . . . . . . . . . A . 18 VAL CB . . . . . . . . . rr_2mce 1
. 14 . 4383 . 1 1 18 VAL CG1 C 10.930 -6.861 3.108 . . . 1.0 . . . . . . . . . . . . A . 18 VAL CG1 . . . . . . . . . rr_2mce 1
. 14 . 4384 . 1 1 18 VAL CG2 C 9.102 -5.191 2.630 . . . 1.0 . . . . . . . . . . . . A . 18 VAL CG2 . . . . . . . . . rr_2mce 1
. 14 . 4385 . 1 1 18 VAL H H 9.260 -4.683 0.234 . . . 1.0 . . . . . . . . . . . . A . 18 VAL H . . . . . . . . . rr_2mce 1
. 14 . 4386 . 1 1 18 VAL HA H 11.728 -4.827 1.594 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HA . . . . . . . . . rr_2mce 1
. 14 . 4387 . 1 1 18 VAL HB H 9.562 -6.923 1.472 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HB . . . . . . . . . rr_2mce 1
. 14 . 4388 . 1 1 18 VAL HG11 H 10.270 -7.485 3.710 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HG11 . . . . . . . . . rr_2mce 1
. 14 . 4389 . 1 1 18 VAL HG12 H 11.696 -7.484 2.645 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HG12 . . . . . . . . . rr_2mce 1
. 14 . 4390 . 1 1 18 VAL HG13 H 11.405 -6.114 3.744 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HG13 . . . . . . . . . rr_2mce 1
. 14 . 4391 . 1 1 18 VAL HG21 H 8.759 -5.582 3.588 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HG21 . . . . . . . . . rr_2mce 1
. 14 . 4392 . 1 1 18 VAL HG22 H 9.573 -4.220 2.781 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HG22 . . . . . . . . . rr_2mce 1
. 14 . 4393 . 1 1 18 VAL HG23 H 8.252 -5.082 1.956 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HG23 . . . . . . . . . rr_2mce 1
. 14 . 4394 . 1 1 18 VAL N N 10.250 -4.554 0.182 . . . 1.0 . . . . . . . . . . . . A . 18 VAL N . . . . . . . . . rr_2mce 1
. 14 . 4395 . 1 1 18 VAL O O 12.917 -6.839 0.520 . . . 1.0 . . . . . . . . . . . . A . 18 VAL O . . . . . . . . . rr_2mce 1
. 14 . 4396 . 1 1 19 GLY C C 12.903 -6.862 -2.833 . . . 1.0 . . . . . . . . . . . . A . 19 GLY C . . . . . . . . . rr_2mce 1
. 14 . 4397 . 1 1 19 GLY CA C 11.903 -7.612 -1.951 . . . 1.0 . . . . . . . . . . . . A . 19 GLY CA . . . . . . . . . rr_2mce 1
. 14 . 4398 . 1 1 19 GLY H H 10.374 -6.351 -1.310 . . . 1.0 . . . . . . . . . . . . A . 19 GLY H . . . . . . . . . rr_2mce 1
. 14 . 4399 . 1 1 19 GLY HA2 H 12.417 -8.403 -1.405 . . . 1.0 . . . . . . . . . . . . A . 19 GLY HA2 . . . . . . . . . rr_2mce 1
. 14 . 4400 . 1 1 19 GLY HA3 H 11.149 -8.091 -2.574 . . . 1.0 . . . . . . . . . . . . A . 19 GLY HA3 . . . . . . . . . rr_2mce 1
. 14 . 4401 . 1 1 19 GLY N N 11.258 -6.709 -1.012 . . . 1.0 . . . . . . . . . . . . A . 19 GLY N . . . . . . . . . rr_2mce 1
. 14 . 4402 . 1 1 19 GLY O O 13.565 -7.465 -3.676 . . . 1.0 . . . . . . . . . . . . A . 19 GLY O . . . . . . . . . rr_2mce 1
. 14 . 4403 . 1 1 20 LEU C C 15.243 -4.660 -2.661 . . . 1.0 . . . . . . . . . . . . A . 20 LEU C . . . . . . . . . rr_2mce 1
. 14 . 4404 . 1 1 20 LEU CA C 13.889 -4.721 -3.373 . . . 1.0 . . . . . . . . . . . . A . 20 LEU CA . . . . . . . . . rr_2mce 1
. 14 . 4405 . 1 1 20 LEU CB C 13.266 -3.348 -3.628 . . . 1.0 . . . . . . . . . . . . A . 20 LEU CB . . . . . . . . . rr_2mce 1
. 14 . 4406 . 1 1 20 LEU CD1 C 14.558 -2.838 -5.733 . . . 1.0 . . . . . . . . . . . . A . 20 LEU CD1 . . . . . . . . . rr_2mce 1
. 14 . 4407 . 1 1 20 LEU CD2 C 12.228 -3.831 -5.874 . . . 1.0 . . . . . . . . . . . . A . 20 LEU CD2 . . . . . . . . . rr_2mce 1
. 14 . 4408 . 1 1 20 LEU CG C 13.171 -2.914 -5.092 . . . 1.0 . . . . . . . . . . . . A . 20 LEU CG . . . . . . . . . rr_2mce 1
. 14 . 4409 . 1 1 20 LEU H H 12.439 -5.077 -1.921 . . . 1.0 . . . . . . . . . . . . A . 20 LEU H . . . . . . . . . rr_2mce 1
. 14 . 4410 . 1 1 20 LEU HA H 14.032 -5.195 -4.345 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HA . . . . . . . . . rr_2mce 1
. 14 . 4411 . 1 1 20 LEU HB2 H 12.263 -3.341 -3.202 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HB2 . . . . . . . . . rr_2mce 1
. 14 . 4412 . 1 1 20 LEU HB3 H 13.846 -2.601 -3.086 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HB3 . . . . . . . . . rr_2mce 1
. 14 . 4413 . 1 1 20 LEU HD11 H 15.164 -2.105 -5.200 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HD11 . . . . . . . . . rr_2mce 1
. 14 . 4414 . 1 1 20 LEU HD12 H 15.038 -3.816 -5.677 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HD12 . . . . . . . . . rr_2mce 1
. 14 . 4415 . 1 1 20 LEU HD13 H 14.460 -2.540 -6.776 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HD13 . . . . . . . . . rr_2mce 1
. 14 . 4416 . 1 1 20 LEU HD21 H 11.416 -4.156 -5.224 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HD21 . . . . . . . . . rr_2mce 1
. 14 . 4417 . 1 1 20 LEU HD22 H 11.815 -3.287 -6.725 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HD22 . . . . . . . . . rr_2mce 1
. 14 . 4418 . 1 1 20 LEU HD23 H 12.779 -4.700 -6.231 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HD23 . . . . . . . . . rr_2mce 1
. 14 . 4419 . 1 1 20 LEU HG H 12.746 -1.911 -5.125 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HG . . . . . . . . . rr_2mce 1
. 14 . 4420 . 1 1 20 LEU N N 12.981 -5.558 -2.609 . . . 1.0 . . . . . . . . . . . . A . 20 LEU N . . . . . . . . . rr_2mce 1
. 14 . 4421 . 1 1 20 LEU O O 16.267 -4.396 -3.288 . . . 1.0 . . . . . . . . . . . . A . 20 LEU O . . . . . . . . . rr_2mce 1
. 14 . 4422 . 1 1 21 MET C C 17.286 -6.105 -0.844 . . . 1.0 . . . . . . . . . . . . A . 21 MET C . . . . . . . . . rr_2mce 1
. 14 . 4423 . 1 1 21 MET CA C 16.411 -4.884 -0.555 . . . 1.0 . . . . . . . . . . . . A . 21 MET CA . . . . . . . . . rr_2mce 1
. 14 . 4424 . 1 1 21 MET CB C 16.037 -4.863 0.928 . . . 1.0 . . . . . . . . . . . . A . 21 MET CB . . . . . . . . . rr_2mce 1
. 14 . 4425 . 1 1 21 MET CE C 16.760 -5.584 4.261 . . . 1.0 . . . . . . . . . . . . A . 21 MET CE . . . . . . . . . rr_2mce 1
. 14 . 4426 . 1 1 21 MET CG C 17.248 -4.508 1.794 . . . 1.0 . . . . . . . . . . . . A . 21 MET CG . . . . . . . . . rr_2mce 1
. 14 . 4427 . 1 1 21 MET H H 14.363 -5.121 -0.857 . . . 1.0 . . . . . . . . . . . . A . 21 MET H . . . . . . . . . rr_2mce 1
. 14 . 4428 . 1 1 21 MET HA H 16.938 -3.974 -0.844 . . . 1.0 . . . . . . . . . . . . A . 21 MET HA . . . . . . . . . rr_2mce 1
. 14 . 4429 . 1 1 21 MET HB2 H 15.241 -4.138 1.096 . . . 1.0 . . . . . . . . . . . . A . 21 MET HB2 . . . . . . . . . rr_2mce 1
. 14 . 4430 . 1 1 21 MET HB3 H 15.649 -5.838 1.223 . . . 1.0 . . . . . . . . . . . . A . 21 MET HB3 . . . . . . . . . rr_2mce 1
. 14 . 4431 . 1 1 21 MET HE1 H 16.109 -4.727 4.086 . . . 1.0 . . . . . . . . . . . . A . 21 MET HE1 . . . . . . . . . rr_2mce 1
. 14 . 4432 . 1 1 21 MET HE2 H 16.154 -6.457 4.501 . . . 1.0 . . . . . . . . . . . . A . 21 MET HE2 . . . . . . . . . rr_2mce 1
. 14 . 4433 . 1 1 21 MET HE3 H 17.431 -5.367 5.092 . . . 1.0 . . . . . . . . . . . . A . 21 MET HE3 . . . . . . . . . rr_2mce 1
. 14 . 4434 . 1 1 21 MET HG2 H 18.083 -4.207 1.161 . . . 1.0 . . . . . . . . . . . . A . 21 MET HG2 . . . . . . . . . rr_2mce 1
. 14 . 4435 . 1 1 21 MET HG3 H 17.011 -3.660 2.435 . . . 1.0 . . . . . . . . . . . . A . 21 MET HG3 . . . . . . . . . rr_2mce 1
. 14 . 4436 . 1 1 21 MET N N 15.202 -4.908 -1.360 . . . 1.0 . . . . . . . . . . . . A . 21 MET N . . . . . . . . . rr_2mce 1
. 14 . 4437 . 1 1 21 MET O O 17.995 -6.141 -1.849 . . . 1.0 . . . . . . . . . . . . A . 21 MET O . . . . . . . . . rr_2mce 1
. 14 . 4438 . 1 1 21 MET SD S 17.718 -5.912 2.791 . . . 1.0 . . . . . . . . . . . . A . 21 MET SD . . . . . . . . . rr_2mce 1
. 15 . 4439 . 1 1 1 ASP C C -15.492 8.025 0.919 . . . 1.0 . . . . . . . . . . . . A . 1 ASP C . . . . . . . . . rr_2mce 1
. 15 . 4440 . 1 1 1 ASP CA C -16.146 8.985 -0.077 . . . 1.0 . . . . . . . . . . . . A . 1 ASP CA . . . . . . . . . rr_2mce 1
. 15 . 4441 . 1 1 1 ASP CB C -17.631 9.089 0.275 . . . 1.0 . . . . . . . . . . . . A . 1 ASP CB . . . . . . . . . rr_2mce 1
. 15 . 4442 . 1 1 1 ASP CG C -18.178 10.515 0.361 . . . 1.0 . . . . . . . . . . . . A . 1 ASP CG . . . . . . . . . rr_2mce 1
. 15 . 4443 . 1 1 1 ASP H1 H -15.012 8.295 -1.681 . . . 1.0 . . . . . . . . . . . . A . 1 ASP H1 . . . . . . . . . rr_2mce 1
. 15 . 4444 . 1 1 1 ASP HA H -15.680 9.970 -0.074 . . . 1.0 . . . . . . . . . . . . A . 1 ASP HA . . . . . . . . . rr_2mce 1
. 15 . 4445 . 1 1 1 ASP HB2 H -18.205 8.540 -0.473 . . . 1.0 . . . . . . . . . . . . A . 1 ASP HB2 . . . . . . . . . rr_2mce 1
. 15 . 4446 . 1 1 1 ASP HB3 H -17.800 8.593 1.231 . . . 1.0 . . . . . . . . . . . . A . 1 ASP HB3 . . . . . . . . . rr_2mce 1
. 15 . 4447 . 1 1 1 ASP HD2 H -19.627 11.578 0.924 . . . 1.0 . . . . . . . . . . . . A . 1 ASP HD2 . . . . . . . . . rr_2mce 1
. 15 . 4448 . 1 1 1 ASP N N -15.961 8.478 -1.425 . . . 1.0 . . . . . . . . . . . . A . 1 ASP N . . . . . . . . . rr_2mce 1
. 15 . 4449 . 1 1 1 ASP O O -14.733 8.450 1.789 . . . 1.0 . . . . . . . . . . . . A . 1 ASP O . . . . . . . . . rr_2mce 1
. 15 . 4450 . 1 1 1 ASP OD1 O -17.510 11.480 -0.041 . . . 1.0 . . . . . . . . . . . . A . 1 ASP OD1 . . . . . . . . . rr_2mce 1
. 15 . 4451 . 1 1 1 ASP OD2 O -19.358 10.617 0.873 . . . 1.0 . . . . . . . . . . . . A . 1 ASP OD2 . . . . . . . . . rr_2mce 1
. 15 . 4452 . 1 1 2 ALA C C -13.952 5.202 1.037 . . . 1.0 . . . . . . . . . . . . A . 2 ALA C . . . . . . . . . rr_2mce 1
. 15 . 4453 . 1 1 2 ALA CA C -15.261 5.725 1.631 . . . 1.0 . . . . . . . . . . . . A . 2 ALA CA . . . . . . . . . rr_2mce 1
. 15 . 4454 . 1 1 2 ALA CB C -16.296 4.616 1.830 . . . 1.0 . . . . . . . . . . . . A . 2 ALA CB . . . . . . . . . rr_2mce 1
. 15 . 4455 . 1 1 2 ALA H H -16.427 6.412 0.047 . . . 1.0 . . . . . . . . . . . . A . 2 ALA H . . . . . . . . . rr_2mce 1
. 15 . 4456 . 1 1 2 ALA HA H -15.052 6.188 2.595 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HA . . . . . . . . . rr_2mce 1
. 15 . 4457 . 1 1 2 ALA HB1 H -15.834 3.648 1.632 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HB1 . . . . . . . . . rr_2mce 1
. 15 . 4458 . 1 1 2 ALA HB2 H -16.662 4.640 2.856 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HB2 . . . . . . . . . rr_2mce 1
. 15 . 4459 . 1 1 2 ALA HB3 H -17.129 4.769 1.143 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HB3 . . . . . . . . . rr_2mce 1
. 15 . 4460 . 1 1 2 ALA N N -15.809 6.749 0.758 . . . 1.0 . . . . . . . . . . . . A . 2 ALA N . . . . . . . . . rr_2mce 1
. 15 . 4461 . 1 1 2 ALA O O -13.248 4.417 1.671 . . . 1.0 . . . . . . . . . . . . A . 2 ALA O . . . . . . . . . rr_2mce 1
. 15 . 4462 . 1 1 3 GLY C C -11.218 5.891 -0.230 . . . 1.0 . . . . . . . . . . . . A . 3 GLY C . . . . . . . . . rr_2mce 1
. 15 . 4463 . 1 1 3 GLY CA C -12.453 5.244 -0.861 . . . 1.0 . . . . . . . . . . . . A . 3 GLY CA . . . . . . . . . rr_2mce 1
. 15 . 4464 . 1 1 3 GLY H H -14.243 6.294 -0.684 . . . 1.0 . . . . . . . . . . . . A . 3 GLY H . . . . . . . . . rr_2mce 1
. 15 . 4465 . 1 1 3 GLY HA2 H -12.360 4.158 -0.821 . . . 1.0 . . . . . . . . . . . . A . 3 GLY HA2 . . . . . . . . . rr_2mce 1
. 15 . 4466 . 1 1 3 GLY HA3 H -12.515 5.520 -1.914 . . . 1.0 . . . . . . . . . . . . A . 3 GLY HA3 . . . . . . . . . rr_2mce 1
. 15 . 4467 . 1 1 3 GLY N N -13.665 5.656 -0.174 . . . 1.0 . . . . . . . . . . . . A . 3 GLY N . . . . . . . . . rr_2mce 1
. 15 . 4468 . 1 1 3 GLY O O -10.095 5.656 -0.674 . . . 1.0 . . . . . . . . . . . . A . 3 GLY O . . . . . . . . . rr_2mce 1
. 15 . 4469 . 1 1 4 HIS C C -9.575 6.361 2.295 . . . 1.0 . . . . . . . . . . . . A . 4 HIS C . . . . . . . . . rr_2mce 1
. 15 . 4470 . 1 1 4 HIS CA C -10.390 7.375 1.491 . . . 1.0 . . . . . . . . . . . . A . 4 HIS CA . . . . . . . . . rr_2mce 1
. 15 . 4471 . 1 1 4 HIS CB C -10.936 8.513 2.354 . . . 1.0 . . . . . . . . . . . . A . 4 HIS CB . . . . . . . . . rr_2mce 1
. 15 . 4472 . 1 1 4 HIS CD2 C -12.460 7.890 4.384 . . . 1.0 . . . . . . . . . . . . A . 4 HIS CD2 . . . . . . . . . rr_2mce 1
. 15 . 4473 . 1 1 4 HIS CE1 C -10.883 7.548 5.862 . . . 1.0 . . . . . . . . . . . . A . 4 HIS CE1 . . . . . . . . . rr_2mce 1
. 15 . 4474 . 1 1 4 HIS CG C -11.261 8.109 3.771 . . . 1.0 . . . . . . . . . . . . A . 4 HIS CG . . . . . . . . . rr_2mce 1
. 15 . 4475 . 1 1 4 HIS H H -12.384 6.877 1.150 . . . 1.0 . . . . . . . . . . . . A . 4 HIS H . . . . . . . . . rr_2mce 1
. 15 . 4476 . 1 1 4 HIS HA H -9.752 7.815 0.724 . . . 1.0 . . . . . . . . . . . . A . 4 HIS HA . . . . . . . . . rr_2mce 1
. 15 . 4477 . 1 1 4 HIS HB2 H -10.205 9.322 2.376 . . . 1.0 . . . . . . . . . . . . A . 4 HIS HB2 . . . . . . . . . rr_2mce 1
. 15 . 4478 . 1 1 4 HIS HB3 H -11.836 8.911 1.885 . . . 1.0 . . . . . . . . . . . . A . 4 HIS HB3 . . . . . . . . . rr_2mce 1
. 15 . 4479 . 1 1 4 HIS HD1 H -9.299 7.967 4.589 . . . 1.0 . . . . . . . . . . . . A . 4 HIS HD1 . . . . . . . . . rr_2mce 1
. 15 . 4480 . 1 1 4 HIS HD2 H -13.440 7.979 3.915 . . . 1.0 . . . . . . . . . . . . A . 4 HIS HD2 . . . . . . . . . rr_2mce 1
. 15 . 4481 . 1 1 4 HIS HE1 H -10.386 7.310 6.803 . . . 1.0 . . . . . . . . . . . . A . 4 HIS HE1 . . . . . . . . . rr_2mce 1
. 15 . 4482 . 1 1 4 HIS N N -11.468 6.692 0.794 . . . 1.0 . . . . . . . . . . . . A . 4 HIS N . . . . . . . . . rr_2mce 1
. 15 . 4483 . 1 1 4 HIS ND1 N -10.287 7.886 4.729 . . . 1.0 . . . . . . . . . . . . A . 4 HIS ND1 . . . . . . . . . rr_2mce 1
. 15 . 4484 . 1 1 4 HIS NE2 N -12.231 7.551 5.647 . . . 1.0 . . . . . . . . . . . . A . 4 HIS NE2 . . . . . . . . . rr_2mce 1
. 15 . 4485 . 1 1 4 HIS O O -8.409 6.602 2.606 . . . 1.0 . . . . . . . . . . . . A . 4 HIS O . . . . . . . . . rr_2mce 1
. 15 . 4486 . 1 1 5 GLY C C -8.773 3.265 2.453 . . . 1.0 . . . . . . . . . . . . A . 5 GLY C . . . . . . . . . rr_2mce 1
. 15 . 4487 . 1 1 5 GLY CA C -9.569 4.195 3.372 . . . 1.0 . . . . . . . . . . . . A . 5 GLY CA . . . . . . . . . rr_2mce 1
. 15 . 4488 . 1 1 5 GLY H H -11.167 5.058 2.353 . . . 1.0 . . . . . . . . . . . . A . 5 GLY H . . . . . . . . . rr_2mce 1
. 15 . 4489 . 1 1 5 GLY HA2 H -8.904 4.636 4.114 . . . 1.0 . . . . . . . . . . . . A . 5 GLY HA2 . . . . . . . . . rr_2mce 1
. 15 . 4490 . 1 1 5 GLY HA3 H -10.318 3.619 3.917 . . . 1.0 . . . . . . . . . . . . A . 5 GLY HA3 . . . . . . . . . rr_2mce 1
. 15 . 4491 . 1 1 5 GLY N N -10.219 5.246 2.609 . . . 1.0 . . . . . . . . . . . . A . 5 GLY N . . . . . . . . . rr_2mce 1
. 15 . 4492 . 1 1 5 GLY O O -8.021 2.414 2.927 . . . 1.0 . . . . . . . . . . . . A . 5 GLY O . . . . . . . . . rr_2mce 1
. 15 . 4493 . 1 1 6 GLN C C -6.806 3.074 0.067 . . . 1.0 . . . . . . . . . . . . A . 6 GLN C . . . . . . . . . rr_2mce 1
. 15 . 4494 . 1 1 6 GLN CA C -8.272 2.650 0.169 . . . 1.0 . . . . . . . . . . . . A . 6 GLN CA . . . . . . . . . rr_2mce 1
. 15 . 4495 . 1 1 6 GLN CB C -8.964 2.737 -1.193 . . . 1.0 . . . . . . . . . . . . A . 6 GLN CB . . . . . . . . . rr_2mce 1
. 15 . 4496 . 1 1 6 GLN CD C -10.756 1.109 -0.490 . . . 1.0 . . . . . . . . . . . . A . 6 GLN CD . . . . . . . . . rr_2mce 1
. 15 . 4497 . 1 1 6 GLN CG C -9.680 1.428 -1.530 . . . 1.0 . . . . . . . . . . . . A . 6 GLN CG . . . . . . . . . rr_2mce 1
. 15 . 4498 . 1 1 6 GLN H H -9.576 4.155 0.780 . . . 1.0 . . . . . . . . . . . . A . 6 GLN H . . . . . . . . . rr_2mce 1
. 15 . 4499 . 1 1 6 GLN HA H -8.337 1.626 0.537 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HA . . . . . . . . . rr_2mce 1
. 15 . 4500 . 1 1 6 GLN HB2 H -9.682 3.558 -1.188 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HB2 . . . . . . . . . rr_2mce 1
. 15 . 4501 . 1 1 6 GLN HB3 H -8.228 2.963 -1.965 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HB3 . . . . . . . . . rr_2mce 1
. 15 . 4502 . 1 1 6 GLN HE21 H -9.855 -0.676 -0.173 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HE21 . . . . . . . . . rr_2mce 1
. 15 . 4503 . 1 1 6 GLN HE22 H -11.271 -0.381 0.781 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HE22 . . . . . . . . . rr_2mce 1
. 15 . 4504 . 1 1 6 GLN HG2 H -10.134 1.501 -2.518 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HG2 . . . . . . . . . rr_2mce 1
. 15 . 4505 . 1 1 6 GLN HG3 H -8.957 0.614 -1.570 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HG3 . . . . . . . . . rr_2mce 1
. 15 . 4506 . 1 1 6 GLN N N -8.964 3.460 1.157 . . . 1.0 . . . . . . . . . . . . A . 6 GLN N . . . . . . . . . rr_2mce 1
. 15 . 4507 . 1 1 6 GLN NE2 N -10.616 -0.081 0.087 . . . 1.0 . . . . . . . . . . . . A . 6 GLN NE2 . . . . . . . . . rr_2mce 1
. 15 . 4508 . 1 1 6 GLN O O -5.979 2.338 -0.470 . . . 1.0 . . . . . . . . . . . . A . 6 GLN O . . . . . . . . . rr_2mce 1
. 15 . 4509 . 1 1 6 GLN OE1 O -11.656 1.891 -0.230 . . . 1.0 . . . . . . . . . . . . A . 6 GLN OE1 . . . . . . . . . rr_2mce 1
. 15 . 4510 . 1 1 7 ILE C C -4.267 3.903 1.422 . . . 1.0 . . . . . . . . . . . . A . 7 ILE C . . . . . . . . . rr_2mce 1
. 15 . 4511 . 1 1 7 ILE CA C -5.175 4.789 0.565 . . . 1.0 . . . . . . . . . . . . A . 7 ILE CA . . . . . . . . . rr_2mce 1
. 15 . 4512 . 1 1 7 ILE CB C -5.169 6.261 0.982 . . . 1.0 . . . . . . . . . . . . A . 7 ILE CB . . . . . . . . . rr_2mce 1
. 15 . 4513 . 1 1 7 ILE CD1 C -4.610 6.517 3.428 . . . 1.0 . . . . . . . . . . . . A . 7 ILE CD1 . . . . . . . . . rr_2mce 1
. 15 . 4514 . 1 1 7 ILE CG1 C -5.734 6.433 2.394 . . . 1.0 . . . . . . . . . . . . A . 7 ILE CG1 . . . . . . . . . rr_2mce 1
. 15 . 4515 . 1 1 7 ILE CG2 C -5.910 7.125 -0.040 . . . 1.0 . . . . . . . . . . . . A . 7 ILE CG2 . . . . . . . . . rr_2mce 1
. 15 . 4516 . 1 1 7 ILE H H -7.205 4.850 1.025 . . . 1.0 . . . . . . . . . . . . A . 7 ILE H . . . . . . . . . rr_2mce 1
. 15 . 4517 . 1 1 7 ILE HA H -4.826 4.745 -0.466 . . . 1.0 . . . . . . . . . . . . A . 7 ILE HA . . . . . . . . . rr_2mce 1
. 15 . 4518 . 1 1 7 ILE HB H -4.135 6.606 1.006 . . . 1.0 . . . . . . . . . . . . A . 7 ILE HB . . . . . . . . . rr_2mce 1
. 15 . 4519 . 1 1 7 ILE HD11 H -3.816 7.163 3.052 . . . 1.0 . . . . . . . . . . . . A . 7 ILE HD11 . . . . . . . . . rr_2mce 1
. 15 . 4520 . 1 1 7 ILE HD12 H -5.001 6.927 4.359 . . . 1.0 . . . . . . . . . . . . A . 7 ILE HD12 . . . . . . . . . rr_2mce 1
. 15 . 4521 . 1 1 7 ILE HD13 H -4.209 5.520 3.612 . . . 1.0 . . . . . . . . . . . . A . 7 ILE HD13 . . . . . . . . . rr_2mce 1
. 15 . 4522 . 1 1 7 ILE HG12 H -6.342 7.336 2.438 . . . 1.0 . . . . . . . . . . . . A . 7 ILE HG12 . . . . . . . . . rr_2mce 1
. 15 . 4523 . 1 1 7 ILE HG13 H -6.389 5.595 2.632 . . . 1.0 . . . . . . . . . . . . A . 7 ILE HG13 . . . . . . . . . rr_2mce 1
. 15 . 4524 . 1 1 7 ILE HG21 H -6.215 6.506 -0.884 . . . 1.0 . . . . . . . . . . . . A . 7 ILE HG21 . . . . . . . . . rr_2mce 1
. 15 . 4525 . 1 1 7 ILE HG22 H -6.792 7.565 0.426 . . . 1.0 . . . . . . . . . . . . A . 7 ILE HG22 . . . . . . . . . rr_2mce 1
. 15 . 4526 . 1 1 7 ILE HG23 H -5.250 7.917 -0.392 . . . 1.0 . . . . . . . . . . . . A . 7 ILE HG23 . . . . . . . . . rr_2mce 1
. 15 . 4527 . 1 1 7 ILE N N -6.527 4.259 0.591 . . . 1.0 . . . . . . . . . . . . A . 7 ILE N . . . . . . . . . rr_2mce 1
. 15 . 4528 . 1 1 7 ILE O O -3.047 3.931 1.273 . . . 1.0 . . . . . . . . . . . . A . 7 ILE O . . . . . . . . . rr_2mce 1
. 15 . 4529 . 1 1 8 SER C C -3.615 1.061 2.384 . . . 1.0 . . . . . . . . . . . . A . 8 SER C . . . . . . . . . rr_2mce 1
. 15 . 4530 . 1 1 8 SER CA C -4.165 2.246 3.181 . . . 1.0 . . . . . . . . . . . . A . 8 SER CA . . . . . . . . . rr_2mce 1
. 15 . 4531 . 1 1 8 SER CB C -5.051 1.750 4.325 . . . 1.0 . . . . . . . . . . . . A . 8 SER CB . . . . . . . . . rr_2mce 1
. 15 . 4532 . 1 1 8 SER H H -5.893 3.122 2.414 . . . 1.0 . . . . . . . . . . . . A . 8 SER H . . . . . . . . . rr_2mce 1
. 15 . 4533 . 1 1 8 SER HA H -3.351 2.846 3.585 . . . 1.0 . . . . . . . . . . . . A . 8 SER HA . . . . . . . . . rr_2mce 1
. 15 . 4534 . 1 1 8 SER HB2 H -6.036 2.208 4.245 . . . 1.0 . . . . . . . . . . . . A . 8 SER HB2 . . . . . . . . . rr_2mce 1
. 15 . 4535 . 1 1 8 SER HB3 H -5.190 0.673 4.236 . . . 1.0 . . . . . . . . . . . . A . 8 SER HB3 . . . . . . . . . rr_2mce 1
. 15 . 4536 . 1 1 8 SER HG H -4.411 3.041 5.715 . . . 1.0 . . . . . . . . . . . . A . 8 SER HG . . . . . . . . . rr_2mce 1
. 15 . 4537 . 1 1 8 SER N N -4.900 3.139 2.300 . . . 1.0 . . . . . . . . . . . . A . 8 SER N . . . . . . . . . rr_2mce 1
. 15 . 4538 . 1 1 8 SER O O -2.658 0.415 2.807 . . . 1.0 . . . . . . . . . . . . A . 8 SER O . . . . . . . . . rr_2mce 1
. 15 . 4539 . 1 1 8 SER OG O -4.491 2.052 5.601 . . . 1.0 . . . . . . . . . . . . A . 8 SER OG . . . . . . . . . rr_2mce 1
. 15 . 4540 . 1 1 9 HIS C C -2.581 0.122 -0.399 . . . 1.0 . . . . . . . . . . . . A . 9 HIS C . . . . . . . . . rr_2mce 1
. 15 . 4541 . 1 1 9 HIS CA C -3.830 -0.285 0.385 . . . 1.0 . . . . . . . . . . . . A . 9 HIS CA . . . . . . . . . rr_2mce 1
. 15 . 4542 . 1 1 9 HIS CB C -4.980 -0.730 -0.520 . . . 1.0 . . . . . . . . . . . . A . 9 HIS CB . . . . . . . . . rr_2mce 1
. 15 . 4543 . 1 1 9 HIS CD2 C -5.146 -0.745 -3.128 . . . 1.0 . . . . . . . . . . . . A . 9 HIS CD2 . . . . . . . . . rr_2mce 1
. 15 . 4544 . 1 1 9 HIS CE1 C -4.616 1.347 -3.487 . . . 1.0 . . . . . . . . . . . . A . 9 HIS CE1 . . . . . . . . . rr_2mce 1
. 15 . 4545 . 1 1 9 HIS CG C -4.917 -0.161 -1.917 . . . 1.0 . . . . . . . . . . . . A . 9 HIS CG . . . . . . . . . rr_2mce 1
. 15 . 4546 . 1 1 9 HIS H H -5.022 1.342 0.908 . . . 1.0 . . . . . . . . . . . . A . 9 HIS H . . . . . . . . . rr_2mce 1
. 15 . 4547 . 1 1 9 HIS HA H -3.581 -1.119 1.041 . . . 1.0 . . . . . . . . . . . . A . 9 HIS HA . . . . . . . . . rr_2mce 1
. 15 . 4548 . 1 1 9 HIS HB2 H -4.981 -1.817 -0.581 . . . 1.0 . . . . . . . . . . . . A . 9 HIS HB2 . . . . . . . . . rr_2mce 1
. 15 . 4549 . 1 1 9 HIS HB3 H -5.925 -0.436 -0.062 . . . 1.0 . . . . . . . . . . . . A . 9 HIS HB3 . . . . . . . . . rr_2mce 1
. 15 . 4550 . 1 1 9 HIS HD1 H -4.357 1.848 -1.490 . . . 1.0 . . . . . . . . . . . . A . 9 HIS HD1 . . . . . . . . . rr_2mce 1
. 15 . 4551 . 1 1 9 HIS HD2 H -5.431 -1.785 -3.291 . . . 1.0 . . . . . . . . . . . . A . 9 HIS HD2 . . . . . . . . . rr_2mce 1
. 15 . 4552 . 1 1 9 HIS HE1 H -4.400 2.282 -4.004 . . . 1.0 . . . . . . . . . . . . A . 9 HIS HE1 . . . . . . . . . rr_2mce 1
. 15 . 4553 . 1 1 9 HIS N N -4.244 0.812 1.245 . . . 1.0 . . . . . . . . . . . . A . 9 HIS N . . . . . . . . . rr_2mce 1
. 15 . 4554 . 1 1 9 HIS ND1 N -4.584 1.157 -2.176 . . . 1.0 . . . . . . . . . . . . A . 9 HIS ND1 . . . . . . . . . rr_2mce 1
. 15 . 4555 . 1 1 9 HIS NE2 N -4.965 0.167 -4.076 . . . 1.0 . . . . . . . . . . . . A . 9 HIS NE2 . . . . . . . . . rr_2mce 1
. 15 . 4556 . 1 1 9 HIS O O -1.848 -0.733 -0.893 . . . 1.0 . . . . . . . . . . . . A . 9 HIS O . . . . . . . . . rr_2mce 1
. 15 . 4557 . 1 1 10 LYS C C 0.052 1.564 -0.471 . . . 1.0 . . . . . . . . . . . . A . 10 LYS C . . . . . . . . . rr_2mce 1
. 15 . 4558 . 1 1 10 LYS CA C -1.230 1.959 -1.205 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CA . . . . . . . . . rr_2mce 1
. 15 . 4559 . 1 1 10 LYS CB C -1.379 3.468 -1.413 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CB . . . . . . . . . rr_2mce 1
. 15 . 4560 . 1 1 10 LYS CD C -1.796 4.663 -3.594 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CD . . . . . . . . . rr_2mce 1
. 15 . 4561 . 1 1 10 LYS CE C -1.163 5.898 -4.238 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CE . . . . . . . . . rr_2mce 1
. 15 . 4562 . 1 1 10 LYS CG C -0.773 3.901 -2.749 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CG . . . . . . . . . rr_2mce 1
. 15 . 4563 . 1 1 10 LYS H H -2.979 2.117 -0.085 . . . 1.0 . . . . . . . . . . . . A . 10 LYS H . . . . . . . . . rr_2mce 1
. 15 . 4564 . 1 1 10 LYS HA H -1.220 1.498 -2.192 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HA . . . . . . . . . rr_2mce 1
. 15 . 4565 . 1 1 10 LYS HB2 H -2.434 3.741 -1.383 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HB2 . . . . . . . . . rr_2mce 1
. 15 . 4566 . 1 1 10 LYS HB3 H -0.889 4.001 -0.598 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HB3 . . . . . . . . . rr_2mce 1
. 15 . 4567 . 1 1 10 LYS HD2 H -2.193 4.007 -4.369 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HD2 . . . . . . . . . rr_2mce 1
. 15 . 4568 . 1 1 10 LYS HD3 H -2.636 4.963 -2.970 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HD3 . . . . . . . . . rr_2mce 1
. 15 . 4569 . 1 1 10 LYS HE2 H -0.104 5.717 -4.423 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HE2 . . . . . . . . . rr_2mce 1
. 15 . 4570 . 1 1 10 LYS HE3 H -1.627 6.089 -5.205 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HE3 . . . . . . . . . rr_2mce 1
. 15 . 4571 . 1 1 10 LYS HG2 H 0.098 4.531 -2.570 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HG2 . . . . . . . . . rr_2mce 1
. 15 . 4572 . 1 1 10 LYS HG3 H -0.425 3.023 -3.295 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HG3 . . . . . . . . . rr_2mce 1
. 15 . 4573 . 1 1 10 LYS HZ1 H -0.518 7.692 -3.397 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HZ1 . . . . . . . . . rr_2mce 1
. 15 . 4574 . 1 1 10 LYS HZ3 H -1.452 6.818 -2.391 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HZ3 . . . . . . . . . rr_2mce 1
. 15 . 4575 . 1 1 10 LYS N N -2.378 1.428 -0.489 . . . 1.0 . . . . . . . . . . . . A . 10 LYS N . . . . . . . . . rr_2mce 1
. 15 . 4576 . 1 1 10 LYS NZ N -1.325 7.079 -3.362 . . . 1.0 . . . . . . . . . . . . A . 10 LYS NZ . . . . . . . . . rr_2mce 1
. 15 . 4577 . 1 1 10 LYS O O 1.136 1.589 -1.050 . . . 1.0 . . . . . . . . . . . . A . 10 LYS O . . . . . . . . . rr_2mce 1
. 15 . 4578 . 1 1 11 ARG C C 1.480 -0.600 1.226 . . . 1.0 . . . . . . . . . . . . A . 11 ARG C . . . . . . . . . rr_2mce 1
. 15 . 4579 . 1 1 11 ARG CA C 1.015 0.805 1.614 . . . 1.0 . . . . . . . . . . . . A . 11 ARG CA . . . . . . . . . rr_2mce 1
. 15 . 4580 . 1 1 11 ARG CB C 0.652 0.823 3.100 . . . 1.0 . . . . . . . . . . . . A . 11 ARG CB . . . . . . . . . rr_2mce 1
. 15 . 4581 . 1 1 11 ARG CD C 0.107 2.398 4.993 . . . 1.0 . . . . . . . . . . . . A . 11 ARG CD . . . . . . . . . rr_2mce 1
. 15 . 4582 . 1 1 11 ARG CG C 0.925 2.197 3.715 . . . 1.0 . . . . . . . . . . . . A . 11 ARG CG . . . . . . . . . rr_2mce 1
. 15 . 4583 . 1 1 11 ARG CZ C 0.160 4.881 5.281 . . . 1.0 . . . . . . . . . . . . A . 11 ARG CZ . . . . . . . . . rr_2mce 1
. 15 . 4584 . 1 1 11 ARG H H -1.002 1.188 1.258 . . . 1.0 . . . . . . . . . . . . A . 11 ARG H . . . . . . . . . rr_2mce 1
. 15 . 4585 . 1 1 11 ARG HA H 1.787 1.545 1.406 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HA . . . . . . . . . rr_2mce 1
. 15 . 4586 . 1 1 11 ARG HB2 H -0.401 0.568 3.223 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HB2 . . . . . . . . . rr_2mce 1
. 15 . 4587 . 1 1 11 ARG HB3 H 1.228 0.062 3.629 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HB3 . . . . . . . . . rr_2mce 1
. 15 . 4588 . 1 1 11 ARG HD2 H -0.954 2.447 4.752 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HD2 . . . . . . . . . rr_2mce 1
. 15 . 4589 . 1 1 11 ARG HD3 H 0.244 1.546 5.659 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HD3 . . . . . . . . . rr_2mce 1
. 15 . 4590 . 1 1 11 ARG HE H 1.125 3.562 6.471 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HE . . . . . . . . . rr_2mce 1
. 15 . 4591 . 1 1 11 ARG HG2 H 1.988 2.294 3.940 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HG2 . . . . . . . . . rr_2mce 1
. 15 . 4592 . 1 1 11 ARG HG3 H 0.678 2.977 2.995 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HG3 . . . . . . . . . rr_2mce 1
. 15 . 4593 . 1 1 11 ARG HH11 H -0.970 4.254 3.699 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HH11 . . . . . . . . . rr_2mce 1
. 15 . 4594 . 1 1 11 ARG HH12 H -0.913 5.970 3.926 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HH12 . . . . . . . . . rr_2mce 1
. 15 . 4595 . 1 1 11 ARG HH22 H 0.369 6.872 5.739 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HH22 . . . . . . . . . rr_2mce 1
. 15 . 4596 . 1 1 11 ARG N N -0.116 1.206 0.794 . . . 1.0 . . . . . . . . . . . . A . 11 ARG N . . . . . . . . . rr_2mce 1
. 15 . 4597 . 1 1 11 ARG NE N 0.529 3.643 5.672 . . . 1.0 . . . . . . . . . . . . A . 11 ARG NE . . . . . . . . . rr_2mce 1
. 15 . 4598 . 1 1 11 ARG NH1 N -0.644 5.049 4.209 . . . 1.0 . . . . . . . . . . . . A . 11 ARG NH1 . . . . . . . . . rr_2mce 1
. 15 . 4599 . 1 1 11 ARG NH2 N 0.595 5.925 5.963 . . . 1.0 . . . . . . . . . . . . A . 11 ARG NH2 . . . . . . . . . rr_2mce 1
. 15 . 4600 . 1 1 11 ARG O O 2.522 -1.062 1.687 . . . 1.0 . . . . . . . . . . . . A . 11 ARG O . . . . . . . . . rr_2mce 1
. 15 . 4601 . 1 1 12 HIS C C 2.216 -2.538 -1.000 . . . 1.0 . . . . . . . . . . . . A . 12 HIS C . . . . . . . . . rr_2mce 1
. 15 . 4602 . 1 1 12 HIS CA C 1.001 -2.583 -0.072 . . . 1.0 . . . . . . . . . . . . A . 12 HIS CA . . . . . . . . . rr_2mce 1
. 15 . 4603 . 1 1 12 HIS CB C -0.218 -3.237 -0.726 . . . 1.0 . . . . . . . . . . . . A . 12 HIS CB . . . . . . . . . rr_2mce 1
. 15 . 4604 . 1 1 12 HIS CD2 C -1.853 -4.881 0.485 . . . 1.0 . . . . . . . . . . . . A . 12 HIS CD2 . . . . . . . . . rr_2mce 1
. 15 . 4605 . 1 1 12 HIS CE1 C -2.778 -3.448 1.855 . . . 1.0 . . . . . . . . . . . . A . 12 HIS CE1 . . . . . . . . . rr_2mce 1
. 15 . 4606 . 1 1 12 HIS CG C -1.287 -3.661 0.255 . . . 1.0 . . . . . . . . . . . . A . 12 HIS CG . . . . . . . . . rr_2mce 1
. 15 . 4607 . 1 1 12 HIS H H -0.162 -0.857 0.012 . . . 1.0 . . . . . . . . . . . . A . 12 HIS H . . . . . . . . . rr_2mce 1
. 15 . 4608 . 1 1 12 HIS HA H 1.253 -3.163 0.816 . . . 1.0 . . . . . . . . . . . . A . 12 HIS HA . . . . . . . . . rr_2mce 1
. 15 . 4609 . 1 1 12 HIS HB2 H -0.652 -2.540 -1.441 . . . 1.0 . . . . . . . . . . . . A . 12 HIS HB2 . . . . . . . . . rr_2mce 1
. 15 . 4610 . 1 1 12 HIS HB3 H 0.109 -4.111 -1.290 . . . 1.0 . . . . . . . . . . . . A . 12 HIS HB3 . . . . . . . . . rr_2mce 1
. 15 . 4611 . 1 1 12 HIS HD1 H -1.691 -1.802 1.210 . . . 1.0 . . . . . . . . . . . . A . 12 HIS HD1 . . . . . . . . . rr_2mce 1
. 15 . 4612 . 1 1 12 HIS HD2 H -1.607 -5.805 -0.039 . . . 1.0 . . . . . . . . . . . . A . 12 HIS HD2 . . . . . . . . . rr_2mce 1
. 15 . 4613 . 1 1 12 HIS HE1 H -3.416 -3.030 2.634 . . . 1.0 . . . . . . . . . . . . A . 12 HIS HE1 . . . . . . . . . rr_2mce 1
. 15 . 4614 . 1 1 12 HIS N N 0.684 -1.241 0.383 . . . 1.0 . . . . . . . . . . . . A . 12 HIS N . . . . . . . . . rr_2mce 1
. 15 . 4615 . 1 1 12 HIS ND1 N -1.890 -2.778 1.133 . . . 1.0 . . . . . . . . . . . . A . 12 HIS ND1 . . . . . . . . . rr_2mce 1
. 15 . 4616 . 1 1 12 HIS NE2 N -2.752 -4.751 1.451 . . . 1.0 . . . . . . . . . . . . A . 12 HIS NE2 . . . . . . . . . rr_2mce 1
. 15 . 4617 . 1 1 12 HIS O O 2.880 -3.552 -1.210 . . . 1.0 . . . . . . . . . . . . A . 12 HIS O . . . . . . . . . rr_2mce 1
. 15 . 4618 . 1 1 13 LYS C C 4.900 -1.196 -1.626 . . . 1.0 . . . . . . . . . . . . A . 13 LYS C . . . . . . . . . rr_2mce 1
. 15 . 4619 . 1 1 13 LYS CA C 3.597 -1.159 -2.429 . . . 1.0 . . . . . . . . . . . . A . 13 LYS CA . . . . . . . . . rr_2mce 1
. 15 . 4620 . 1 1 13 LYS CB C 3.416 0.121 -3.248 . . . 1.0 . . . . . . . . . . . . A . 13 LYS CB . . . . . . . . . rr_2mce 1
. 15 . 4621 . 1 1 13 LYS CD C 5.051 1.914 -2.559 . . . 1.0 . . . . . . . . . . . . A . 13 LYS CD . . . . . . . . . rr_2mce 1
. 15 . 4622 . 1 1 13 LYS CE C 5.318 3.064 -1.587 . . . 1.0 . . . . . . . . . . . . A . 13 LYS CE . . . . . . . . . rr_2mce 1
. 15 . 4623 . 1 1 13 LYS CG C 3.635 1.363 -2.381 . . . 1.0 . . . . . . . . . . . . A . 13 LYS CG . . . . . . . . . rr_2mce 1
. 15 . 4624 . 1 1 13 LYS H H 1.929 -0.530 -1.352 . . . 1.0 . . . . . . . . . . . . A . 13 LYS H . . . . . . . . . rr_2mce 1
. 15 . 4625 . 1 1 13 LYS HA H 3.600 -1.993 -3.130 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HA . . . . . . . . . rr_2mce 1
. 15 . 4626 . 1 1 13 LYS HB2 H 4.119 0.126 -4.081 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HB2 . . . . . . . . . rr_2mce 1
. 15 . 4627 . 1 1 13 LYS HB3 H 2.415 0.143 -3.677 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HB3 . . . . . . . . . rr_2mce 1
. 15 . 4628 . 1 1 13 LYS HD2 H 5.778 1.118 -2.397 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HD2 . . . . . . . . . rr_2mce 1
. 15 . 4629 . 1 1 13 LYS HD3 H 5.183 2.262 -3.585 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HD3 . . . . . . . . . rr_2mce 1
. 15 . 4630 . 1 1 13 LYS HE2 H 4.406 3.641 -1.437 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HE2 . . . . . . . . . rr_2mce 1
. 15 . 4631 . 1 1 13 LYS HE3 H 5.607 2.666 -0.614 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HE3 . . . . . . . . . rr_2mce 1
. 15 . 4632 . 1 1 13 LYS HG2 H 2.906 2.128 -2.646 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HG2 . . . . . . . . . rr_2mce 1
. 15 . 4633 . 1 1 13 LYS HG3 H 3.468 1.112 -1.333 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HG3 . . . . . . . . . rr_2mce 1
. 15 . 4634 . 1 1 13 LYS HZ1 H 7.086 4.152 -1.400 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HZ1 . . . . . . . . . rr_2mce 1
. 15 . 4635 . 1 1 13 LYS HZ3 H 6.025 4.833 -2.431 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HZ3 . . . . . . . . . rr_2mce 1
. 15 . 4636 . 1 1 13 LYS N N 2.473 -1.350 -1.529 . . . 1.0 . . . . . . . . . . . . A . 13 LYS N . . . . . . . . . rr_2mce 1
. 15 . 4637 . 1 1 13 LYS NZ N 6.388 3.945 -2.106 . . . 1.0 . . . . . . . . . . . . A . 13 LYS NZ . . . . . . . . . rr_2mce 1
. 15 . 4638 . 1 1 13 LYS O O 5.962 -1.486 -2.173 . . . 1.0 . . . . . . . . . . . . A . 13 LYS O . . . . . . . . . rr_2mce 1
. 15 . 4639 . 1 1 14 THR C C 6.352 -2.326 0.872 . . . 1.0 . . . . . . . . . . . . A . 14 THR C . . . . . . . . . rr_2mce 1
. 15 . 4640 . 1 1 14 THR CA C 5.928 -0.893 0.542 . . . 1.0 . . . . . . . . . . . . A . 14 THR CA . . . . . . . . . rr_2mce 1
. 15 . 4641 . 1 1 14 THR CB C 5.574 -0.065 1.778 . . . 1.0 . . . . . . . . . . . . A . 14 THR CB . . . . . . . . . rr_2mce 1
. 15 . 4642 . 1 1 14 THR CG2 C 6.664 -0.116 2.850 . . . 1.0 . . . . . . . . . . . . A . 14 THR CG2 . . . . . . . . . rr_2mce 1
. 15 . 4643 . 1 1 14 THR H H 3.906 -0.662 0.096 . . . 1.0 . . . . . . . . . . . . A . 14 THR H . . . . . . . . . rr_2mce 1
. 15 . 4644 . 1 1 14 THR HA H 6.761 -0.426 0.018 . . . 1.0 . . . . . . . . . . . . A . 14 THR HA . . . . . . . . . rr_2mce 1
. 15 . 4645 . 1 1 14 THR HB H 4.610 -0.369 2.188 . . . 1.0 . . . . . . . . . . . . A . 14 THR HB . . . . . . . . . rr_2mce 1
. 15 . 4646 . 1 1 14 THR HG1 H 4.707 1.705 1.428 . . . 1.0 . . . . . . . . . . . . A . 14 THR HG1 . . . . . . . . . rr_2mce 1
. 15 . 4647 . 1 1 14 THR HG21 H 7.551 -0.602 2.443 . . . 1.0 . . . . . . . . . . . . A . 14 THR HG21 . . . . . . . . . rr_2mce 1
. 15 . 4648 . 1 1 14 THR HG22 H 6.915 0.898 3.162 . . . 1.0 . . . . . . . . . . . . A . 14 THR HG22 . . . . . . . . . rr_2mce 1
. 15 . 4649 . 1 1 14 THR HG23 H 6.302 -0.682 3.709 . . . 1.0 . . . . . . . . . . . . A . 14 THR HG23 . . . . . . . . . rr_2mce 1
. 15 . 4650 . 1 1 14 THR N N 4.774 -0.898 -0.341 . . . 1.0 . . . . . . . . . . . . A . 14 THR N . . . . . . . . . rr_2mce 1
. 15 . 4651 . 1 1 14 THR O O 7.507 -2.570 1.219 . . . 1.0 . . . . . . . . . . . . A . 14 THR O . . . . . . . . . rr_2mce 1
. 15 . 4652 . 1 1 14 THR OG1 O 5.606 1.282 1.314 . . . 1.0 . . . . . . . . . . . . A . 14 THR OG1 . . . . . . . . . rr_2mce 1
. 15 . 4653 . 1 1 15 ASP C C 6.459 -5.243 -0.119 . . . 1.0 . . . . . . . . . . . . A . 15 ASP C . . . . . . . . . rr_2mce 1
. 15 . 4654 . 1 1 15 ASP CA C 5.656 -4.636 1.033 . . . 1.0 . . . . . . . . . . . . A . 15 ASP CA . . . . . . . . . rr_2mce 1
. 15 . 4655 . 1 1 15 ASP CB C 4.350 -5.424 1.165 . . . 1.0 . . . . . . . . . . . . A . 15 ASP CB . . . . . . . . . rr_2mce 1
. 15 . 4656 . 1 1 15 ASP CG C 3.634 -5.268 2.508 . . . 1.0 . . . . . . . . . . . . A . 15 ASP CG . . . . . . . . . rr_2mce 1
. 15 . 4657 . 1 1 15 ASP H H 4.459 -3.027 0.470 . . . 1.0 . . . . . . . . . . . . A . 15 ASP H . . . . . . . . . rr_2mce 1
. 15 . 4658 . 1 1 15 ASP HA H 6.206 -4.643 1.974 . . . 1.0 . . . . . . . . . . . . A . 15 ASP HA . . . . . . . . . rr_2mce 1
. 15 . 4659 . 1 1 15 ASP HB2 H 3.673 -5.110 0.371 . . . 1.0 . . . . . . . . . . . . A . 15 ASP HB2 . . . . . . . . . rr_2mce 1
. 15 . 4660 . 1 1 15 ASP HB3 H 4.563 -6.480 1.003 . . . 1.0 . . . . . . . . . . . . A . 15 ASP HB3 . . . . . . . . . rr_2mce 1
. 15 . 4661 . 1 1 15 ASP HD2 H 4.776 -6.566 3.256 . . . 1.0 . . . . . . . . . . . . A . 15 ASP HD2 . . . . . . . . . rr_2mce 1
. 15 . 4662 . 1 1 15 ASP N N 5.395 -3.235 0.752 . . . 1.0 . . . . . . . . . . . . A . 15 ASP N . . . . . . . . . rr_2mce 1
. 15 . 4663 . 1 1 15 ASP O O 7.215 -6.192 0.079 . . . 1.0 . . . . . . . . . . . . A . 15 ASP O . . . . . . . . . rr_2mce 1
. 15 . 4664 . 1 1 15 ASP OD1 O 2.524 -4.720 2.581 . . . 1.0 . . . . . . . . . . . . A . 15 ASP OD1 . . . . . . . . . rr_2mce 1
. 15 . 4665 . 1 1 15 ASP OD2 O 4.271 -5.745 3.524 . . . 1.0 . . . . . . . . . . . . A . 15 ASP OD2 . . . . . . . . . rr_2mce 1
. 15 . 4666 . 1 1 16 SER C C 8.426 -4.687 -2.445 . . . 1.0 . . . . . . . . . . . . A . 16 SER C . . . . . . . . . rr_2mce 1
. 15 . 4667 . 1 1 16 SER CA C 6.965 -5.141 -2.482 . . . 1.0 . . . . . . . . . . . . A . 16 SER CA . . . . . . . . . rr_2mce 1
. 15 . 4668 . 1 1 16 SER CB C 6.286 -4.639 -3.758 . . . 1.0 . . . . . . . . . . . . A . 16 SER CB . . . . . . . . . rr_2mce 1
. 15 . 4669 . 1 1 16 SER H H 5.650 -3.897 -1.451 . . . 1.0 . . . . . . . . . . . . A . 16 SER H . . . . . . . . . rr_2mce 1
. 15 . 4670 . 1 1 16 SER HA H 6.900 -6.228 -2.440 . . . 1.0 . . . . . . . . . . . . A . 16 SER HA . . . . . . . . . rr_2mce 1
. 15 . 4671 . 1 1 16 SER HB2 H 5.236 -4.932 -3.748 . . . 1.0 . . . . . . . . . . . . A . 16 SER HB2 . . . . . . . . . rr_2mce 1
. 15 . 4672 . 1 1 16 SER HB3 H 6.313 -3.549 -3.779 . . . 1.0 . . . . . . . . . . . . A . 16 SER HB3 . . . . . . . . . rr_2mce 1
. 15 . 4673 . 1 1 16 SER HG H 7.545 -5.884 -4.689 . . . 1.0 . . . . . . . . . . . . A . 16 SER HG . . . . . . . . . rr_2mce 1
. 15 . 4674 . 1 1 16 SER N N 6.268 -4.669 -1.298 . . . 1.0 . . . . . . . . . . . . A . 16 SER N . . . . . . . . . rr_2mce 1
. 15 . 4675 . 1 1 16 SER O O 9.281 -5.282 -3.099 . . . 1.0 . . . . . . . . . . . . A . 16 SER O . . . . . . . . . rr_2mce 1
. 15 . 4676 . 1 1 16 SER OG O 6.910 -5.152 -4.932 . . . 1.0 . . . . . . . . . . . . A . 16 SER OG . . . . . . . . . rr_2mce 1
. 15 . 4677 . 1 1 17 PHE C C 10.875 -3.991 -0.650 . . . 1.0 . . . . . . . . . . . . A . 17 PHE C . . . . . . . . . rr_2mce 1
. 15 . 4678 . 1 1 17 PHE CA C 10.008 -3.098 -1.541 . . . 1.0 . . . . . . . . . . . . A . 17 PHE CA . . . . . . . . . rr_2mce 1
. 15 . 4679 . 1 1 17 PHE CB C 9.876 -1.721 -0.887 . . . 1.0 . . . . . . . . . . . . A . 17 PHE CB . . . . . . . . . rr_2mce 1
. 15 . 4680 . 1 1 17 PHE CD1 C 11.004 -1.745 1.349 . . . 1.0 . . . . . . . . . . . . A . 17 PHE CD1 . . . . . . . . . rr_2mce 1
. 15 . 4681 . 1 1 17 PHE CD2 C 12.094 -0.654 -0.431 . . . 1.0 . . . . . . . . . . . . A . 17 PHE CD2 . . . . . . . . . rr_2mce 1
. 15 . 4682 . 1 1 17 PHE CE1 C 12.080 -1.409 2.213 . . . 1.0 . . . . . . . . . . . . A . 17 PHE CE1 . . . . . . . . . rr_2mce 1
. 15 . 4683 . 1 1 17 PHE CE2 C 13.170 -0.319 0.433 . . . 1.0 . . . . . . . . . . . . A . 17 PHE CE2 . . . . . . . . . rr_2mce 1
. 15 . 4684 . 1 1 17 PHE CG C 11.034 -1.360 0.045 . . . 1.0 . . . . . . . . . . . . A . 17 PHE CG . . . . . . . . . rr_2mce 1
. 15 . 4685 . 1 1 17 PHE CZ C 13.140 -0.704 1.738 . . . 1.0 . . . . . . . . . . . . A . 17 PHE CZ . . . . . . . . . rr_2mce 1
. 15 . 4686 . 1 1 17 PHE H H 7.966 -3.161 -1.143 . . . 1.0 . . . . . . . . . . . . A . 17 PHE H . . . . . . . . . rr_2mce 1
. 15 . 4687 . 1 1 17 PHE HA H 10.441 -3.058 -2.542 . . . 1.0 . . . . . . . . . . . . A . 17 PHE HA . . . . . . . . . rr_2mce 1
. 15 . 4688 . 1 1 17 PHE HB2 H 9.801 -0.964 -1.668 . . . 1.0 . . . . . . . . . . . . A . 17 PHE HB2 . . . . . . . . . rr_2mce 1
. 15 . 4689 . 1 1 17 PHE HB3 H 8.943 -1.688 -0.321 . . . 1.0 . . . . . . . . . . . . A . 17 PHE HB3 . . . . . . . . . rr_2mce 1
. 15 . 4690 . 1 1 17 PHE HD1 H 10.154 -2.311 1.731 . . . 1.0 . . . . . . . . . . . . A . 17 PHE HD1 . . . . . . . . . rr_2mce 1
. 15 . 4691 . 1 1 17 PHE HD2 H 12.118 -0.345 -1.476 . . . 1.0 . . . . . . . . . . . . A . 17 PHE HD2 . . . . . . . . . rr_2mce 1
. 15 . 4692 . 1 1 17 PHE HE1 H 12.055 -1.718 3.258 . . . 1.0 . . . . . . . . . . . . A . 17 PHE HE1 . . . . . . . . . rr_2mce 1
. 15 . 4693 . 1 1 17 PHE HE2 H 14.020 0.248 0.052 . . . 1.0 . . . . . . . . . . . . A . 17 PHE HE2 . . . . . . . . . rr_2mce 1
. 15 . 4694 . 1 1 17 PHE HZ H 13.965 -0.446 2.401 . . . 1.0 . . . . . . . . . . . . A . 17 PHE HZ . . . . . . . . . rr_2mce 1
. 15 . 4695 . 1 1 17 PHE N N 8.667 -3.639 -1.672 . . . 1.0 . . . . . . . . . . . . A . 17 PHE N . . . . . . . . . rr_2mce 1
. 15 . 4696 . 1 1 17 PHE O O 12.101 -3.960 -0.738 . . . 1.0 . . . . . . . . . . . . A . 17 PHE O . . . . . . . . . rr_2mce 1
. 15 . 4697 . 1 1 18 VAL C C 11.524 -6.807 0.291 . . . 1.0 . . . . . . . . . . . . A . 18 VAL C . . . . . . . . . rr_2mce 1
. 15 . 4698 . 1 1 18 VAL CA C 10.895 -5.666 1.094 . . . 1.0 . . . . . . . . . . . . A . 18 VAL CA . . . . . . . . . rr_2mce 1
. 15 . 4699 . 1 1 18 VAL CB C 9.935 -6.158 2.179 . . . 1.0 . . . . . . . . . . . . A . 18 VAL CB . . . . . . . . . rr_2mce 1
. 15 . 4700 . 1 1 18 VAL CG1 C 10.695 -6.862 3.305 . . . 1.0 . . . . . . . . . . . . A . 18 VAL CG1 . . . . . . . . . rr_2mce 1
. 15 . 4701 . 1 1 18 VAL CG2 C 9.088 -5.007 2.724 . . . 1.0 . . . . . . . . . . . . A . 18 VAL CG2 . . . . . . . . . rr_2mce 1
. 15 . 4702 . 1 1 18 VAL H H 9.204 -4.785 0.253 . . . 1.0 . . . . . . . . . . . . A . 18 VAL H . . . . . . . . . rr_2mce 1
. 15 . 4703 . 1 1 18 VAL HA H 11.689 -5.099 1.578 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HA . . . . . . . . . rr_2mce 1
. 15 . 4704 . 1 1 18 VAL HB H 9.260 -6.884 1.725 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HB . . . . . . . . . rr_2mce 1
. 15 . 4705 . 1 1 18 VAL HG11 H 11.624 -6.329 3.505 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HG11 . . . . . . . . . rr_2mce 1
. 15 . 4706 . 1 1 18 VAL HG12 H 10.080 -6.871 4.206 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HG12 . . . . . . . . . rr_2mce 1
. 15 . 4707 . 1 1 18 VAL HG13 H 10.919 -7.886 3.008 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HG13 . . . . . . . . . rr_2mce 1
. 15 . 4708 . 1 1 18 VAL HG21 H 9.266 -4.900 3.794 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HG21 . . . . . . . . . rr_2mce 1
. 15 . 4709 . 1 1 18 VAL HG22 H 9.363 -4.082 2.217 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HG22 . . . . . . . . . rr_2mce 1
. 15 . 4710 . 1 1 18 VAL HG23 H 8.033 -5.217 2.549 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HG23 . . . . . . . . . rr_2mce 1
. 15 . 4711 . 1 1 18 VAL N N 10.203 -4.766 0.188 . . . 1.0 . . . . . . . . . . . . A . 18 VAL N . . . . . . . . . rr_2mce 1
. 15 . 4712 . 1 1 18 VAL O O 12.560 -7.345 0.678 . . . 1.0 . . . . . . . . . . . . A . 18 VAL O . . . . . . . . . rr_2mce 1
. 15 . 4713 . 1 1 19 GLY C C 12.400 -7.684 -2.661 . . . 1.0 . . . . . . . . . . . . A . 19 GLY C . . . . . . . . . rr_2mce 1
. 15 . 4714 . 1 1 19 GLY CA C 11.354 -8.207 -1.673 . . . 1.0 . . . . . . . . . . . . A . 19 GLY CA . . . . . . . . . rr_2mce 1
. 15 . 4715 . 1 1 19 GLY H H 10.030 -6.697 -1.120 . . . 1.0 . . . . . . . . . . . . A . 19 GLY H . . . . . . . . . rr_2mce 1
. 15 . 4716 . 1 1 19 GLY HA2 H 11.788 -9.002 -1.066 . . . 1.0 . . . . . . . . . . . . A . 19 GLY HA2 . . . . . . . . . rr_2mce 1
. 15 . 4717 . 1 1 19 GLY HA3 H 10.518 -8.644 -2.221 . . . 1.0 . . . . . . . . . . . . A . 19 GLY HA3 . . . . . . . . . rr_2mce 1
. 15 . 4718 . 1 1 19 GLY N N 10.872 -7.141 -0.812 . . . 1.0 . . . . . . . . . . . . A . 19 GLY N . . . . . . . . . rr_2mce 1
. 15 . 4719 . 1 1 19 GLY O O 12.937 -8.447 -3.462 . . . 1.0 . . . . . . . . . . . . A . 19 GLY O . . . . . . . . . rr_2mce 1
. 15 . 4720 . 1 1 20 LEU C C 15.008 -5.806 -2.791 . . . 1.0 . . . . . . . . . . . . A . 20 LEU C . . . . . . . . . rr_2mce 1
. 15 . 4721 . 1 1 20 LEU CA C 13.627 -5.753 -3.446 . . . 1.0 . . . . . . . . . . . . A . 20 LEU CA . . . . . . . . . rr_2mce 1
. 15 . 4722 . 1 1 20 LEU CB C 13.174 -4.340 -3.814 . . . 1.0 . . . . . . . . . . . . A . 20 LEU CB . . . . . . . . . rr_2mce 1
. 15 . 4723 . 1 1 20 LEU CD1 C 11.441 -4.710 -5.609 . . . 1.0 . . . . . . . . . . . . A . 20 LEU CD1 . . . . . . . . . rr_2mce 1
. 15 . 4724 . 1 1 20 LEU CD2 C 12.890 -2.628 -5.645 . . . 1.0 . . . . . . . . . . . . A . 20 LEU CD2 . . . . . . . . . rr_2mce 1
. 15 . 4725 . 1 1 20 LEU CG C 12.812 -4.113 -5.284 . . . 1.0 . . . . . . . . . . . . A . 20 LEU CG . . . . . . . . . rr_2mce 1
. 15 . 4726 . 1 1 20 LEU H H 12.214 -5.775 -1.916 . . . 1.0 . . . . . . . . . . . . A . 20 LEU H . . . . . . . . . rr_2mce 1
. 15 . 4727 . 1 1 20 LEU HA H 13.661 -6.332 -4.369 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HA . . . . . . . . . rr_2mce 1
. 15 . 4728 . 1 1 20 LEU HB2 H 12.307 -4.087 -3.204 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HB2 . . . . . . . . . rr_2mce 1
. 15 . 4729 . 1 1 20 LEU HB3 H 13.968 -3.643 -3.545 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HB3 . . . . . . . . . rr_2mce 1
. 15 . 4730 . 1 1 20 LEU HD11 H 11.560 -5.524 -6.324 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HD11 . . . . . . . . . rr_2mce 1
. 15 . 4731 . 1 1 20 LEU HD12 H 10.985 -5.092 -4.695 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HD12 . . . . . . . . . rr_2mce 1
. 15 . 4732 . 1 1 20 LEU HD13 H 10.801 -3.939 -6.039 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HD13 . . . . . . . . . rr_2mce 1
. 15 . 4733 . 1 1 20 LEU HD21 H 12.257 -2.055 -4.968 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HD21 . . . . . . . . . rr_2mce 1
. 15 . 4734 . 1 1 20 LEU HD22 H 13.922 -2.287 -5.555 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HD22 . . . . . . . . . rr_2mce 1
. 15 . 4735 . 1 1 20 LEU HD23 H 12.549 -2.485 -6.671 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HD23 . . . . . . . . . rr_2mce 1
. 15 . 4736 . 1 1 20 LEU HG H 13.544 -4.634 -5.900 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HG . . . . . . . . . rr_2mce 1
. 15 . 4737 . 1 1 20 LEU N N 12.656 -6.388 -2.571 . . . 1.0 . . . . . . . . . . . . A . 20 LEU N . . . . . . . . . rr_2mce 1
. 15 . 4738 . 1 1 20 LEU O O 16.027 -5.740 -3.476 . . . 1.0 . . . . . . . . . . . . A . 20 LEU O . . . . . . . . . rr_2mce 1
. 15 . 4739 . 1 1 21 MET C C 16.925 -7.338 -0.900 . . . 1.0 . . . . . . . . . . . . A . 21 MET C . . . . . . . . . rr_2mce 1
. 15 . 4740 . 1 1 21 MET CA C 16.236 -5.985 -0.715 . . . 1.0 . . . . . . . . . . . . A . 21 MET CA . . . . . . . . . rr_2mce 1
. 15 . 4741 . 1 1 21 MET CB C 15.941 -5.761 0.770 . . . 1.0 . . . . . . . . . . . . A . 21 MET CB . . . . . . . . . rr_2mce 1
. 15 . 4742 . 1 1 21 MET CE C 16.320 -4.450 4.028 . . . 1.0 . . . . . . . . . . . . A . 21 MET CE . . . . . . . . . rr_2mce 1
. 15 . 4743 . 1 1 21 MET CG C 16.977 -4.829 1.401 . . . 1.0 . . . . . . . . . . . . A . 21 MET CG . . . . . . . . . rr_2mce 1
. 15 . 4744 . 1 1 21 MET H H 14.164 -5.977 -0.921 . . . 1.0 . . . . . . . . . . . . A . 21 MET H . . . . . . . . . rr_2mce 1
. 15 . 4745 . 1 1 21 MET HA H 16.866 -5.191 -1.118 . . . 1.0 . . . . . . . . . . . . A . 21 MET HA . . . . . . . . . rr_2mce 1
. 15 . 4746 . 1 1 21 MET HB2 H 14.944 -5.334 0.886 . . . 1.0 . . . . . . . . . . . . A . 21 MET HB2 . . . . . . . . . rr_2mce 1
. 15 . 4747 . 1 1 21 MET HB3 H 15.941 -6.718 1.292 . . . 1.0 . . . . . . . . . . . . A . 21 MET HB3 . . . . . . . . . rr_2mce 1
. 15 . 4748 . 1 1 21 MET HE1 H 15.436 -4.243 4.632 . . . 1.0 . . . . . . . . . . . . A . 21 MET HE1 . . . . . . . . . rr_2mce 1
. 15 . 4749 . 1 1 21 MET HE2 H 16.413 -5.524 3.874 . . . 1.0 . . . . . . . . . . . . A . 21 MET HE2 . . . . . . . . . rr_2mce 1
. 15 . 4750 . 1 1 21 MET HE3 H 17.206 -4.078 4.543 . . . 1.0 . . . . . . . . . . . . A . 21 MET HE3 . . . . . . . . . rr_2mce 1
. 15 . 4751 . 1 1 21 MET HG2 H 17.693 -5.409 1.984 . . . 1.0 . . . . . . . . . . . . A . 21 MET HG2 . . . . . . . . . rr_2mce 1
. 15 . 4752 . 1 1 21 MET HG3 H 17.542 -4.318 0.621 . . . 1.0 . . . . . . . . . . . . A . 21 MET HG3 . . . . . . . . . rr_2mce 1
. 15 . 4753 . 1 1 21 MET N N 14.997 -5.923 -1.471 . . . 1.0 . . . . . . . . . . . . A . 21 MET N . . . . . . . . . rr_2mce 1
. 15 . 4754 . 1 1 21 MET O O 17.635 -7.804 -0.010 . . . 1.0 . . . . . . . . . . . . A . 21 MET O . . . . . . . . . rr_2mce 1
. 15 . 4755 . 1 1 21 MET SD S 16.165 -3.634 2.449 . . . 1.0 . . . . . . . . . . . . A . 21 MET SD . . . . . . . . . rr_2mce 1
. 16 . 4756 . 1 1 1 ASP C C -15.174 8.938 1.479 . . . 1.0 . . . . . . . . . . . . A . 1 ASP C . . . . . . . . . rr_2mce 1
. 16 . 4757 . 1 1 1 ASP CA C -15.815 9.920 0.495 . . . 1.0 . . . . . . . . . . . . A . 1 ASP CA . . . . . . . . . rr_2mce 1
. 16 . 4758 . 1 1 1 ASP CB C -15.238 9.640 -0.895 . . . 1.0 . . . . . . . . . . . . A . 1 ASP CB . . . . . . . . . rr_2mce 1
. 16 . 4759 . 1 1 1 ASP CG C -16.208 9.873 -2.055 . . . 1.0 . . . . . . . . . . . . A . 1 ASP CG . . . . . . . . . rr_2mce 1
. 16 . 4760 . 1 1 1 ASP H1 H -15.394 11.398 1.901 . . . 1.0 . . . . . . . . . . . . A . 1 ASP H1 . . . . . . . . . rr_2mce 1
. 16 . 4761 . 1 1 1 ASP HA H -16.903 9.848 0.484 . . . 1.0 . . . . . . . . . . . . A . 1 ASP HA . . . . . . . . . rr_2mce 1
. 16 . 4762 . 1 1 1 ASP HB2 H -14.362 10.270 -1.041 . . . 1.0 . . . . . . . . . . . . A . 1 ASP HB2 . . . . . . . . . rr_2mce 1
. 16 . 4763 . 1 1 1 ASP HB3 H -14.897 8.605 -0.928 . . . 1.0 . . . . . . . . . . . . A . 1 ASP HB3 . . . . . . . . . rr_2mce 1
. 16 . 4764 . 1 1 1 ASP HD2 H -14.909 10.921 -2.927 . . . 1.0 . . . . . . . . . . . . A . 1 ASP HD2 . . . . . . . . . rr_2mce 1
. 16 . 4765 . 1 1 1 ASP N N -15.526 11.279 0.917 . . . 1.0 . . . . . . . . . . . . A . 1 ASP N . . . . . . . . . rr_2mce 1
. 16 . 4766 . 1 1 1 ASP O O -14.194 9.271 2.144 . . . 1.0 . . . . . . . . . . . . A . 1 ASP O . . . . . . . . . rr_2mce 1
. 16 . 4767 . 1 1 1 ASP OD1 O -17.205 9.152 -2.209 . . . 1.0 . . . . . . . . . . . . A . 1 ASP OD1 . . . . . . . . . rr_2mce 1
. 16 . 4768 . 1 1 1 ASP OD2 O -15.902 10.856 -2.832 . . . 1.0 . . . . . . . . . . . . A . 1 ASP OD2 . . . . . . . . . rr_2mce 1
. 16 . 4769 . 1 1 2 ALA C C -14.205 5.877 1.694 . . . 1.0 . . . . . . . . . . . . A . 2 ALA C . . . . . . . . . rr_2mce 1
. 16 . 4770 . 1 1 2 ALA CA C -15.251 6.716 2.431 . . . 1.0 . . . . . . . . . . . . A . 2 ALA CA . . . . . . . . . rr_2mce 1
. 16 . 4771 . 1 1 2 ALA CB C -16.419 5.872 2.944 . . . 1.0 . . . . . . . . . . . . A . 2 ALA CB . . . . . . . . . rr_2mce 1
. 16 . 4772 . 1 1 2 ALA H H -16.549 7.485 0.995 . . . 1.0 . . . . . . . . . . . . A . 2 ALA H . . . . . . . . . rr_2mce 1
. 16 . 4773 . 1 1 2 ALA HA H -14.777 7.211 3.278 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HA . . . . . . . . . rr_2mce 1
. 16 . 4774 . 1 1 2 ALA HB1 H -16.767 5.212 2.149 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HB1 . . . . . . . . . rr_2mce 1
. 16 . 4775 . 1 1 2 ALA HB2 H -16.090 5.273 3.794 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HB2 . . . . . . . . . rr_2mce 1
. 16 . 4776 . 1 1 2 ALA HB3 H -17.232 6.527 3.254 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HB3 . . . . . . . . . rr_2mce 1
. 16 . 4777 . 1 1 2 ALA N N -15.753 7.748 1.539 . . . 1.0 . . . . . . . . . . . . A . 2 ALA N . . . . . . . . . rr_2mce 1
. 16 . 4778 . 1 1 2 ALA O O -13.549 5.028 2.295 . . . 1.0 . . . . . . . . . . . . A . 2 ALA O . . . . . . . . . rr_2mce 1
. 16 . 4779 . 1 1 3 GLY C C -11.692 5.864 -0.110 . . . 1.0 . . . . . . . . . . . . A . 3 GLY C . . . . . . . . . rr_2mce 1
. 16 . 4780 . 1 1 3 GLY CA C -13.124 5.427 -0.423 . . . 1.0 . . . . . . . . . . . . A . 3 GLY CA . . . . . . . . . rr_2mce 1
. 16 . 4781 . 1 1 3 GLY H H -14.616 6.838 -0.079 . . . 1.0 . . . . . . . . . . . . A . 3 GLY H . . . . . . . . . rr_2mce 1
. 16 . 4782 . 1 1 3 GLY HA2 H -13.226 4.354 -0.253 . . . 1.0 . . . . . . . . . . . . A . 3 GLY HA2 . . . . . . . . . rr_2mce 1
. 16 . 4783 . 1 1 3 GLY HA3 H -13.341 5.605 -1.476 . . . 1.0 . . . . . . . . . . . . A . 3 GLY HA3 . . . . . . . . . rr_2mce 1
. 16 . 4784 . 1 1 3 GLY N N -14.079 6.145 0.402 . . . 1.0 . . . . . . . . . . . . A . 3 GLY N . . . . . . . . . rr_2mce 1
. 16 . 4785 . 1 1 3 GLY O O -10.741 5.365 -0.711 . . . 1.0 . . . . . . . . . . . . A . 3 GLY O . . . . . . . . . rr_2mce 1
. 16 . 4786 . 1 1 4 HIS C C -9.503 6.206 1.963 . . . 1.0 . . . . . . . . . . . . A . 4 HIS C . . . . . . . . . rr_2mce 1
. 16 . 4787 . 1 1 4 HIS CA C -10.281 7.302 1.230 . . . 1.0 . . . . . . . . . . . . A . 4 HIS CA . . . . . . . . . rr_2mce 1
. 16 . 4788 . 1 1 4 HIS CB C -10.429 8.579 2.058 . . . 1.0 . . . . . . . . . . . . A . 4 HIS CB . . . . . . . . . rr_2mce 1
. 16 . 4789 . 1 1 4 HIS CD2 C -10.641 10.990 1.071 . . . 1.0 . . . . . . . . . . . . A . 4 HIS CD2 . . . . . . . . . rr_2mce 1
. 16 . 4790 . 1 1 4 HIS CE1 C -8.617 11.173 0.259 . . . 1.0 . . . . . . . . . . . . A . 4 HIS CE1 . . . . . . . . . rr_2mce 1
. 16 . 4791 . 1 1 4 HIS CG C -9.977 9.830 1.342 . . . 1.0 . . . . . . . . . . . . A . 4 HIS CG . . . . . . . . . rr_2mce 1
. 16 . 4792 . 1 1 4 HIS H H -12.359 7.192 1.315 . . . 1.0 . . . . . . . . . . . . A . 4 HIS H . . . . . . . . . rr_2mce 1
. 16 . 4793 . 1 1 4 HIS HA H -9.751 7.558 0.313 . . . 1.0 . . . . . . . . . . . . A . 4 HIS HA . . . . . . . . . rr_2mce 1
. 16 . 4794 . 1 1 4 HIS HB2 H -11.475 8.694 2.344 . . . 1.0 . . . . . . . . . . . . A . 4 HIS HB2 . . . . . . . . . rr_2mce 1
. 16 . 4795 . 1 1 4 HIS HB3 H -9.856 8.472 2.979 . . . 1.0 . . . . . . . . . . . . A . 4 HIS HB3 . . . . . . . . . rr_2mce 1
. 16 . 4796 . 1 1 4 HIS HD1 H -7.975 9.293 0.856 . . . 1.0 . . . . . . . . . . . . A . 4 HIS HD1 . . . . . . . . . rr_2mce 1
. 16 . 4797 . 1 1 4 HIS HD2 H -11.672 11.213 1.343 . . . 1.0 . . . . . . . . . . . . A . 4 HIS HD2 . . . . . . . . . rr_2mce 1
. 16 . 4798 . 1 1 4 HIS HE1 H -7.740 11.585 -0.240 . . . 1.0 . . . . . . . . . . . . A . 4 HIS HE1 . . . . . . . . . rr_2mce 1
. 16 . 4799 . 1 1 4 HIS N N -11.582 6.791 0.831 . . . 1.0 . . . . . . . . . . . . A . 4 HIS N . . . . . . . . . rr_2mce 1
. 16 . 4800 . 1 1 4 HIS ND1 N -8.704 9.976 0.819 . . . 1.0 . . . . . . . . . . . . A . 4 HIS ND1 . . . . . . . . . rr_2mce 1
. 16 . 4801 . 1 1 4 HIS NE2 N -9.818 11.800 0.417 . . . 1.0 . . . . . . . . . . . . A . 4 HIS NE2 . . . . . . . . . rr_2mce 1
. 16 . 4802 . 1 1 4 HIS O O -8.279 6.266 2.058 . . . 1.0 . . . . . . . . . . . . A . 4 HIS O . . . . . . . . . rr_2mce 1
. 16 . 4803 . 1 1 5 GLY C C -9.083 3.081 2.222 . . . 1.0 . . . . . . . . . . . . A . 5 GLY C . . . . . . . . . rr_2mce 1
. 16 . 4804 . 1 1 5 GLY CA C -9.644 4.125 3.188 . . . 1.0 . . . . . . . . . . . . A . 5 GLY CA . . . . . . . . . rr_2mce 1
. 16 . 4805 . 1 1 5 GLY H H -11.244 5.190 2.386 . . . 1.0 . . . . . . . . . . . . A . 5 GLY H . . . . . . . . . rr_2mce 1
. 16 . 4806 . 1 1 5 GLY HA2 H -8.846 4.498 3.831 . . . 1.0 . . . . . . . . . . . . A . 5 GLY HA2 . . . . . . . . . rr_2mce 1
. 16 . 4807 . 1 1 5 GLY HA3 H -10.387 3.663 3.838 . . . 1.0 . . . . . . . . . . . . A . 5 GLY HA3 . . . . . . . . . rr_2mce 1
. 16 . 4808 . 1 1 5 GLY N N -10.248 5.232 2.466 . . . 1.0 . . . . . . . . . . . . A . 5 GLY N . . . . . . . . . rr_2mce 1
. 16 . 4809 . 1 1 5 GLY O O -8.273 2.241 2.612 . . . 1.0 . . . . . . . . . . . . A . 5 GLY O . . . . . . . . . rr_2mce 1
. 16 . 4810 . 1 1 6 GLN C C -7.651 2.565 -0.466 . . . 1.0 . . . . . . . . . . . . A . 6 GLN C . . . . . . . . . rr_2mce 1
. 16 . 4811 . 1 1 6 GLN CA C -9.086 2.240 -0.046 . . . 1.0 . . . . . . . . . . . . A . 6 GLN CA . . . . . . . . . rr_2mce 1
. 16 . 4812 . 1 1 6 GLN CB C -10.028 2.260 -1.251 . . . 1.0 . . . . . . . . . . . . A . 6 GLN CB . . . . . . . . . rr_2mce 1
. 16 . 4813 . 1 1 6 GLN CD C -12.463 1.883 -0.718 . . . 1.0 . . . . . . . . . . . . A . 6 GLN CD . . . . . . . . . rr_2mce 1
. 16 . 4814 . 1 1 6 GLN CG C -11.138 1.219 -1.098 . . . 1.0 . . . . . . . . . . . . A . 6 GLN CG . . . . . . . . . rr_2mce 1
. 16 . 4815 . 1 1 6 GLN H H -10.192 3.854 0.670 . . . 1.0 . . . . . . . . . . . . A . 6 GLN H . . . . . . . . . rr_2mce 1
. 16 . 4816 . 1 1 6 GLN HA H -9.122 1.255 0.419 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HA . . . . . . . . . rr_2mce 1
. 16 . 4817 . 1 1 6 GLN HB2 H -10.467 3.252 -1.358 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HB2 . . . . . . . . . rr_2mce 1
. 16 . 4818 . 1 1 6 GLN HB3 H -9.463 2.062 -2.163 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HB3 . . . . . . . . . rr_2mce 1
. 16 . 4819 . 1 1 6 GLN HE21 H -12.154 1.298 1.195 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HE21 . . . . . . . . . rr_2mce 1
. 16 . 4820 . 1 1 6 GLN HE22 H -13.619 2.181 0.918 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HE22 . . . . . . . . . rr_2mce 1
. 16 . 4821 . 1 1 6 GLN HG2 H -11.257 0.668 -2.030 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HG2 . . . . . . . . . rr_2mce 1
. 16 . 4822 . 1 1 6 GLN HG3 H -10.858 0.494 -0.333 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HG3 . . . . . . . . . rr_2mce 1
. 16 . 4823 . 1 1 6 GLN N N -9.534 3.167 0.979 . . . 1.0 . . . . . . . . . . . . A . 6 GLN N . . . . . . . . . rr_2mce 1
. 16 . 4824 . 1 1 6 GLN NE2 N -12.771 1.778 0.572 . . . 1.0 . . . . . . . . . . . . A . 6 GLN NE2 . . . . . . . . . rr_2mce 1
. 16 . 4825 . 1 1 6 GLN O O -6.971 1.732 -1.063 . . . 1.0 . . . . . . . . . . . . A . 6 GLN O . . . . . . . . . rr_2mce 1
. 16 . 4826 . 1 1 6 GLN OE1 O -13.161 2.451 -1.542 . . . 1.0 . . . . . . . . . . . . A . 6 GLN OE1 . . . . . . . . . rr_2mce 1
. 16 . 4827 . 1 1 7 ILE C C -4.885 3.549 0.464 . . . 1.0 . . . . . . . . . . . . A . 7 ILE C . . . . . . . . . rr_2mce 1
. 16 . 4828 . 1 1 7 ILE CA C -5.891 4.224 -0.472 . . . 1.0 . . . . . . . . . . . . A . 7 ILE CA . . . . . . . . . rr_2mce 1
. 16 . 4829 . 1 1 7 ILE CB C -5.814 5.751 -0.457 . . . 1.0 . . . . . . . . . . . . A . 7 ILE CB . . . . . . . . . rr_2mce 1
. 16 . 4830 . 1 1 7 ILE CD1 C -5.263 7.560 -2.126 . . . 1.0 . . . . . . . . . . . . A . 7 ILE CD1 . . . . . . . . . rr_2mce 1
. 16 . 4831 . 1 1 7 ILE CG1 C -4.791 6.258 -1.476 . . . 1.0 . . . . . . . . . . . . A . 7 ILE CG1 . . . . . . . . . rr_2mce 1
. 16 . 4832 . 1 1 7 ILE CG2 C -5.528 6.273 0.952 . . . 1.0 . . . . . . . . . . . . A . 7 ILE CG2 . . . . . . . . . rr_2mce 1
. 16 . 4833 . 1 1 7 ILE H H -7.792 4.450 0.349 . . . 1.0 . . . . . . . . . . . . A . 7 ILE H . . . . . . . . . rr_2mce 1
. 16 . 4834 . 1 1 7 ILE HA H -5.684 3.900 -1.492 . . . 1.0 . . . . . . . . . . . . A . 7 ILE HA . . . . . . . . . rr_2mce 1
. 16 . 4835 . 1 1 7 ILE HB H -6.786 6.145 -0.755 . . . 1.0 . . . . . . . . . . . . A . 7 ILE HB . . . . . . . . . rr_2mce 1
. 16 . 4836 . 1 1 7 ILE HD11 H -4.777 8.407 -1.639 . . . 1.0 . . . . . . . . . . . . A . 7 ILE HD11 . . . . . . . . . rr_2mce 1
. 16 . 4837 . 1 1 7 ILE HD12 H -5.003 7.552 -3.185 . . . 1.0 . . . . . . . . . . . . A . 7 ILE HD12 . . . . . . . . . rr_2mce 1
. 16 . 4838 . 1 1 7 ILE HD13 H -6.344 7.650 -2.018 . . . 1.0 . . . . . . . . . . . . A . 7 ILE HD13 . . . . . . . . . rr_2mce 1
. 16 . 4839 . 1 1 7 ILE HG12 H -3.832 6.420 -0.983 . . . 1.0 . . . . . . . . . . . . A . 7 ILE HG12 . . . . . . . . . rr_2mce 1
. 16 . 4840 . 1 1 7 ILE HG13 H -4.630 5.501 -2.243 . . . 1.0 . . . . . . . . . . . . A . 7 ILE HG13 . . . . . . . . . rr_2mce 1
. 16 . 4841 . 1 1 7 ILE HG21 H -6.083 5.681 1.679 . . . 1.0 . . . . . . . . . . . . A . 7 ILE HG21 . . . . . . . . . rr_2mce 1
. 16 . 4842 . 1 1 7 ILE HG22 H -4.461 6.195 1.159 . . . 1.0 . . . . . . . . . . . . A . 7 ILE HG22 . . . . . . . . . rr_2mce 1
. 16 . 4843 . 1 1 7 ILE HG23 H -5.835 7.317 1.023 . . . 1.0 . . . . . . . . . . . . A . 7 ILE HG23 . . . . . . . . . rr_2mce 1
. 16 . 4844 . 1 1 7 ILE N N -7.233 3.779 -0.136 . . . 1.0 . . . . . . . . . . . . A . 7 ILE N . . . . . . . . . rr_2mce 1
. 16 . 4845 . 1 1 7 ILE O O -3.689 3.525 0.181 . . . 1.0 . . . . . . . . . . . . A . 7 ILE O . . . . . . . . . rr_2mce 1
. 16 . 4846 . 1 1 8 SER C C -4.082 1.008 1.976 . . . 1.0 . . . . . . . . . . . . A . 8 SER C . . . . . . . . . rr_2mce 1
. 16 . 4847 . 1 1 8 SER CA C -4.572 2.344 2.538 . . . 1.0 . . . . . . . . . . . . A . 8 SER CA . . . . . . . . . rr_2mce 1
. 16 . 4848 . 1 1 8 SER CB C -5.328 2.124 3.850 . . . 1.0 . . . . . . . . . . . . A . 8 SER CB . . . . . . . . . rr_2mce 1
. 16 . 4849 . 1 1 8 SER H H -6.383 3.042 1.782 . . . 1.0 . . . . . . . . . . . . A . 8 SER H . . . . . . . . . rr_2mce 1
. 16 . 4850 . 1 1 8 SER HA H -3.733 3.018 2.712 . . . 1.0 . . . . . . . . . . . . A . 8 SER HA . . . . . . . . . rr_2mce 1
. 16 . 4851 . 1 1 8 SER HB2 H -5.907 3.016 4.089 . . . 1.0 . . . . . . . . . . . . A . 8 SER HB2 . . . . . . . . . rr_2mce 1
. 16 . 4852 . 1 1 8 SER HB3 H -6.039 1.308 3.726 . . . 1.0 . . . . . . . . . . . . A . 8 SER HB3 . . . . . . . . . rr_2mce 1
. 16 . 4853 . 1 1 8 SER HG H -4.712 2.348 5.740 . . . 1.0 . . . . . . . . . . . . A . 8 SER HG . . . . . . . . . rr_2mce 1
. 16 . 4854 . 1 1 8 SER N N -5.409 3.018 1.560 . . . 1.0 . . . . . . . . . . . . A . 8 SER N . . . . . . . . . rr_2mce 1
. 16 . 4855 . 1 1 8 SER O O -3.207 0.369 2.560 . . . 1.0 . . . . . . . . . . . . A . 8 SER O . . . . . . . . . rr_2mce 1
. 16 . 4856 . 1 1 8 SER OG O -4.447 1.826 4.929 . . . 1.0 . . . . . . . . . . . . A . 8 SER OG . . . . . . . . . rr_2mce 1
. 16 . 4857 . 1 1 9 HIS C C -3.083 -0.400 -0.690 . . . 1.0 . . . . . . . . . . . . A . 9 HIS C . . . . . . . . . rr_2mce 1
. 16 . 4858 . 1 1 9 HIS CA C -4.303 -0.624 0.206 . . . 1.0 . . . . . . . . . . . . A . 9 HIS CA . . . . . . . . . rr_2mce 1
. 16 . 4859 . 1 1 9 HIS CB C -5.494 -1.214 -0.552 . . . 1.0 . . . . . . . . . . . . A . 9 HIS CB . . . . . . . . . rr_2mce 1
. 16 . 4860 . 1 1 9 HIS CD2 C -6.252 -3.650 0.015 . . . 1.0 . . . . . . . . . . . . A . 9 HIS CD2 . . . . . . . . . rr_2mce 1
. 16 . 4861 . 1 1 9 HIS CE1 C -4.859 -4.721 -1.287 . . . 1.0 . . . . . . . . . . . . A . 9 HIS CE1 . . . . . . . . . rr_2mce 1
. 16 . 4862 . 1 1 9 HIS CG C -5.488 -2.722 -0.629 . . . 1.0 . . . . . . . . . . . . A . 9 HIS CG . . . . . . . . . rr_2mce 1
. 16 . 4863 . 1 1 9 HIS H H -5.379 1.149 0.385 . . . 1.0 . . . . . . . . . . . . A . 9 HIS H . . . . . . . . . rr_2mce 1
. 16 . 4864 . 1 1 9 HIS HA H -4.036 -1.322 1.001 . . . 1.0 . . . . . . . . . . . . A . 9 HIS HA . . . . . . . . . rr_2mce 1
. 16 . 4865 . 1 1 9 HIS HB2 H -6.415 -0.889 -0.069 . . . 1.0 . . . . . . . . . . . . A . 9 HIS HB2 . . . . . . . . . rr_2mce 1
. 16 . 4866 . 1 1 9 HIS HB3 H -5.505 -0.809 -1.563 . . . 1.0 . . . . . . . . . . . . A . 9 HIS HB3 . . . . . . . . . rr_2mce 1
. 16 . 4867 . 1 1 9 HIS HD1 H -3.927 -3.029 -2.045 . . . 1.0 . . . . . . . . . . . . A . 9 HIS HD1 . . . . . . . . . rr_2mce 1
. 16 . 4868 . 1 1 9 HIS HD2 H -7.041 -3.437 0.736 . . . 1.0 . . . . . . . . . . . . A . 9 HIS HD2 . . . . . . . . . rr_2mce 1
. 16 . 4869 . 1 1 9 HIS HE1 H -4.337 -5.535 -1.794 . . . 1.0 . . . . . . . . . . . . A . 9 HIS HE1 . . . . . . . . . rr_2mce 1
. 16 . 4870 . 1 1 9 HIS N N -4.669 0.625 0.852 . . . 1.0 . . . . . . . . . . . . A . 9 HIS N . . . . . . . . . rr_2mce 1
. 16 . 4871 . 1 1 9 HIS ND1 N -4.618 -3.428 -1.442 . . . 1.0 . . . . . . . . . . . . A . 9 HIS ND1 . . . . . . . . . rr_2mce 1
. 16 . 4872 . 1 1 9 HIS NE2 N -5.871 -4.857 -0.385 . . . 1.0 . . . . . . . . . . . . A . 9 HIS NE2 . . . . . . . . . rr_2mce 1
. 16 . 4873 . 1 1 9 HIS O O -2.599 -1.333 -1.331 . . . 1.0 . . . . . . . . . . . . A . 9 HIS O . . . . . . . . . rr_2mce 1
. 16 . 4874 . 1 1 10 LYS C C -0.188 0.899 -0.728 . . . 1.0 . . . . . . . . . . . . A . 10 LYS C . . . . . . . . . rr_2mce 1
. 16 . 4875 . 1 1 10 LYS CA C -1.467 1.199 -1.514 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CA . . . . . . . . . rr_2mce 1
. 16 . 4876 . 1 1 10 LYS CB C -1.572 2.652 -1.985 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CB . . . . . . . . . rr_2mce 1
. 16 . 4877 . 1 1 10 LYS CD C -1.080 5.059 -1.422 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CD . . . . . . . . . rr_2mce 1
. 16 . 4878 . 1 1 10 LYS CE C -0.626 6.024 -0.324 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CE . . . . . . . . . rr_2mce 1
. 16 . 4879 . 1 1 10 LYS CG C -0.955 3.606 -0.961 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CG . . . . . . . . . rr_2mce 1
. 16 . 4880 . 1 1 10 LYS H H -3.020 1.593 -0.183 . . . 1.0 . . . . . . . . . . . . A . 10 LYS H . . . . . . . . . rr_2mce 1
. 16 . 4881 . 1 1 10 LYS HA H -1.481 0.571 -2.403 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HA . . . . . . . . . rr_2mce 1
. 16 . 4882 . 1 1 10 LYS HB2 H -1.067 2.765 -2.944 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HB2 . . . . . . . . . rr_2mce 1
. 16 . 4883 . 1 1 10 LYS HB3 H -2.618 2.911 -2.143 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HB3 . . . . . . . . . rr_2mce 1
. 16 . 4884 . 1 1 10 LYS HD2 H -0.480 5.215 -2.318 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HD2 . . . . . . . . . rr_2mce 1
. 16 . 4885 . 1 1 10 LYS HD3 H -2.115 5.271 -1.691 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HD3 . . . . . . . . . rr_2mce 1
. 16 . 4886 . 1 1 10 LYS HE2 H -1.180 6.959 -0.400 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HE2 . . . . . . . . . rr_2mce 1
. 16 . 4887 . 1 1 10 LYS HE3 H -0.848 5.601 0.655 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HE3 . . . . . . . . . rr_2mce 1
. 16 . 4888 . 1 1 10 LYS HG2 H -1.448 3.482 0.002 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HG2 . . . . . . . . . rr_2mce 1
. 16 . 4889 . 1 1 10 LYS HG3 H 0.097 3.358 -0.814 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HG3 . . . . . . . . . rr_2mce 1
. 16 . 4890 . 1 1 10 LYS HZ1 H 1.274 6.344 0.471 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HZ1 . . . . . . . . . rr_2mce 1
. 16 . 4891 . 1 1 10 LYS HZ3 H 1.015 7.169 -0.910 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HZ3 . . . . . . . . . rr_2mce 1
. 16 . 4892 . 1 1 10 LYS N N -2.621 0.841 -0.707 . . . 1.0 . . . . . . . . . . . . A . 10 LYS N . . . . . . . . . rr_2mce 1
. 16 . 4893 . 1 1 10 LYS NZ N 0.826 6.292 -0.437 . . . 1.0 . . . . . . . . . . . . A . 10 LYS NZ . . . . . . . . . rr_2mce 1
. 16 . 4894 . 1 1 10 LYS O O 0.913 0.987 -1.271 . . . 1.0 . . . . . . . . . . . . A . 10 LYS O . . . . . . . . . rr_2mce 1
. 16 . 4895 . 1 1 11 ARG C C 1.413 -1.067 0.955 . . . 1.0 . . . . . . . . . . . . A . 11 ARG C . . . . . . . . . rr_2mce 1
. 16 . 4896 . 1 1 11 ARG CA C 0.748 0.237 1.400 . . . 1.0 . . . . . . . . . . . . A . 11 ARG CA . . . . . . . . . rr_2mce 1
. 16 . 4897 . 1 1 11 ARG CB C 0.303 0.102 2.858 . . . 1.0 . . . . . . . . . . . . A . 11 ARG CB . . . . . . . . . rr_2mce 1
. 16 . 4898 . 1 1 11 ARG CD C -1.064 -1.949 2.324 . . . 1.0 . . . . . . . . . . . . A . 11 ARG CD . . . . . . . . . rr_2mce 1
. 16 . 4899 . 1 1 11 ARG CG C 0.032 -1.361 3.215 . . . 1.0 . . . . . . . . . . . . A . 11 ARG CG . . . . . . . . . rr_2mce 1
. 16 . 4900 . 1 1 11 ARG CZ C -1.821 -4.289 1.872 . . . 1.0 . . . . . . . . . . . . A . 11 ARG CZ . . . . . . . . . rr_2mce 1
. 16 . 4901 . 1 1 11 ARG H H -1.274 0.481 0.969 . . . 1.0 . . . . . . . . . . . . A . 11 ARG H . . . . . . . . . rr_2mce 1
. 16 . 4902 . 1 1 11 ARG HA H 1.429 1.082 1.290 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HA . . . . . . . . . rr_2mce 1
. 16 . 4903 . 1 1 11 ARG HB2 H 1.072 0.505 3.516 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HB2 . . . . . . . . . rr_2mce 1
. 16 . 4904 . 1 1 11 ARG HB3 H -0.599 0.693 3.022 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HB3 . . . . . . . . . rr_2mce 1
. 16 . 4905 . 1 1 11 ARG HD2 H -2.042 -1.778 2.775 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HD2 . . . . . . . . . rr_2mce 1
. 16 . 4906 . 1 1 11 ARG HD3 H -1.066 -1.447 1.357 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HD3 . . . . . . . . . rr_2mce 1
. 16 . 4907 . 1 1 11 ARG HE H 0.096 -3.745 2.218 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HE . . . . . . . . . rr_2mce 1
. 16 . 4908 . 1 1 11 ARG HG2 H 0.947 -1.941 3.103 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HG2 . . . . . . . . . rr_2mce 1
. 16 . 4909 . 1 1 11 ARG HG3 H -0.267 -1.433 4.262 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HG3 . . . . . . . . . rr_2mce 1
. 16 . 4910 . 1 1 11 ARG HH11 H -3.331 -2.915 1.868 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HH11 . . . . . . . . . rr_2mce 1
. 16 . 4911 . 1 1 11 ARG HH12 H -3.822 -4.546 1.558 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HH12 . . . . . . . . . rr_2mce 1
. 16 . 4912 . 1 1 11 ARG HH22 H -2.172 -6.283 1.527 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HH22 . . . . . . . . . rr_2mce 1
. 16 . 4913 . 1 1 11 ARG N N -0.376 0.551 0.536 . . . 1.0 . . . . . . . . . . . . A . 11 ARG N . . . . . . . . . rr_2mce 1
. 16 . 4914 . 1 1 11 ARG NE N -0.840 -3.401 2.139 . . . 1.0 . . . . . . . . . . . . A . 11 ARG NE . . . . . . . . . rr_2mce 1
. 16 . 4915 . 1 1 11 ARG NH1 N -3.102 -3.881 1.756 . . . 1.0 . . . . . . . . . . . . A . 11 ARG NH1 . . . . . . . . . rr_2mce 1
. 16 . 4916 . 1 1 11 ARG NH2 N -1.507 -5.563 1.726 . . . 1.0 . . . . . . . . . . . . A . 11 ARG NH2 . . . . . . . . . rr_2mce 1
. 16 . 4917 . 1 1 11 ARG O O 2.469 -1.437 1.466 . . . 1.0 . . . . . . . . . . . . A . 11 ARG O . . . . . . . . . rr_2mce 1
. 16 . 4918 . 1 1 12 HIS C C 2.610 -2.738 -1.230 . . . 1.0 . . . . . . . . . . . . A . 12 HIS C . . . . . . . . . rr_2mce 1
. 16 . 4919 . 1 1 12 HIS CA C 1.281 -2.986 -0.513 . . . 1.0 . . . . . . . . . . . . A . 12 HIS CA . . . . . . . . . rr_2mce 1
. 16 . 4920 . 1 1 12 HIS CB C 0.244 -3.670 -1.405 . . . 1.0 . . . . . . . . . . . . A . 12 HIS CB . . . . . . . . . rr_2mce 1
. 16 . 4921 . 1 1 12 HIS CD2 C 0.262 -3.587 -4.017 . . . 1.0 . . . . . . . . . . . . A . 12 HIS CD2 . . . . . . . . . rr_2mce 1
. 16 . 4922 . 1 1 12 HIS CE1 C -0.270 -1.479 -4.266 . . . 1.0 . . . . . . . . . . . . A . 12 HIS CE1 . . . . . . . . . rr_2mce 1
. 16 . 4923 . 1 1 12 HIS CG C 0.106 -3.048 -2.774 . . . 1.0 . . . . . . . . . . . . A . 12 HIS CG . . . . . . . . . rr_2mce 1
. 16 . 4924 . 1 1 12 HIS H H -0.092 -1.423 -0.403 . . . 1.0 . . . . . . . . . . . . A . 12 HIS H . . . . . . . . . rr_2mce 1
. 16 . 4925 . 1 1 12 HIS HA H 1.458 -3.631 0.347 . . . 1.0 . . . . . . . . . . . . A . 12 HIS HA . . . . . . . . . rr_2mce 1
. 16 . 4926 . 1 1 12 HIS HB2 H 0.515 -4.720 -1.520 . . . 1.0 . . . . . . . . . . . . A . 12 HIS HB2 . . . . . . . . . rr_2mce 1
. 16 . 4927 . 1 1 12 HIS HB3 H -0.724 -3.643 -0.906 . . . 1.0 . . . . . . . . . . . . A . 12 HIS HB3 . . . . . . . . . rr_2mce 1
. 16 . 4928 . 1 1 12 HIS HD1 H -0.408 -1.052 -2.241 . . . 1.0 . . . . . . . . . . . . A . 12 HIS HD1 . . . . . . . . . rr_2mce 1
. 16 . 4929 . 1 1 12 HIS HD2 H 0.528 -4.621 -4.235 . . . 1.0 . . . . . . . . . . . . A . 12 HIS HD2 . . . . . . . . . rr_2mce 1
. 16 . 4930 . 1 1 12 HIS HE1 H -0.506 -0.524 -4.735 . . . 1.0 . . . . . . . . . . . . A . 12 HIS HE1 . . . . . . . . . rr_2mce 1
. 16 . 4931 . 1 1 12 HIS N N 0.766 -1.730 0.008 . . . 1.0 . . . . . . . . . . . . A . 12 HIS N . . . . . . . . . rr_2mce 1
. 16 . 4932 . 1 1 12 HIS ND1 N -0.228 -1.718 -2.964 . . . 1.0 . . . . . . . . . . . . A . 12 HIS ND1 . . . . . . . . . rr_2mce 1
. 16 . 4933 . 1 1 12 HIS NE2 N 0.033 -2.639 -4.918 . . . 1.0 . . . . . . . . . . . . A . 12 HIS NE2 . . . . . . . . . rr_2mce 1
. 16 . 4934 . 1 1 12 HIS O O 3.455 -3.628 -1.303 . . . 1.0 . . . . . . . . . . . . A . 12 HIS O . . . . . . . . . rr_2mce 1
. 16 . 4935 . 1 1 13 LYS C C 5.160 -1.266 -1.504 . . . 1.0 . . . . . . . . . . . . A . 13 LYS C . . . . . . . . . rr_2mce 1
. 16 . 4936 . 1 1 13 LYS CA C 3.963 -1.148 -2.450 . . . 1.0 . . . . . . . . . . . . A . 13 LYS CA . . . . . . . . . rr_2mce 1
. 16 . 4937 . 1 1 13 LYS CB C 3.809 0.239 -3.077 . . . 1.0 . . . . . . . . . . . . A . 13 LYS CB . . . . . . . . . rr_2mce 1
. 16 . 4938 . 1 1 13 LYS CD C 2.803 1.484 -5.026 . . . 1.0 . . . . . . . . . . . . A . 13 LYS CD . . . . . . . . . rr_2mce 1
. 16 . 4939 . 1 1 13 LYS CE C 1.460 1.322 -5.740 . . . 1.0 . . . . . . . . . . . . A . 13 LYS CE . . . . . . . . . rr_2mce 1
. 16 . 4940 . 1 1 13 LYS CG C 3.326 0.136 -4.525 . . . 1.0 . . . . . . . . . . . . A . 13 LYS CG . . . . . . . . . rr_2mce 1
. 16 . 4941 . 1 1 13 LYS H H 2.059 -0.806 -1.678 . . . 1.0 . . . . . . . . . . . . A . 13 LYS H . . . . . . . . . rr_2mce 1
. 16 . 4942 . 1 1 13 LYS HA H 4.097 -1.857 -3.267 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HA . . . . . . . . . rr_2mce 1
. 16 . 4943 . 1 1 13 LYS HB2 H 3.100 0.829 -2.494 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HB2 . . . . . . . . . rr_2mce 1
. 16 . 4944 . 1 1 13 LYS HB3 H 4.763 0.765 -3.044 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HB3 . . . . . . . . . rr_2mce 1
. 16 . 4945 . 1 1 13 LYS HD2 H 2.691 2.170 -4.186 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HD2 . . . . . . . . . rr_2mce 1
. 16 . 4946 . 1 1 13 LYS HD3 H 3.529 1.931 -5.706 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HD3 . . . . . . . . . rr_2mce 1
. 16 . 4947 . 1 1 13 LYS HE2 H 1.389 0.321 -6.168 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HE2 . . . . . . . . . rr_2mce 1
. 16 . 4948 . 1 1 13 LYS HE3 H 0.646 1.421 -5.022 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HE3 . . . . . . . . . rr_2mce 1
. 16 . 4949 . 1 1 13 LYS HG2 H 4.143 -0.200 -5.162 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HG2 . . . . . . . . . rr_2mce 1
. 16 . 4950 . 1 1 13 LYS HG3 H 2.537 -0.612 -4.597 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HG3 . . . . . . . . . rr_2mce 1
. 16 . 4951 . 1 1 13 LYS HZ1 H 0.757 3.127 -6.507 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HZ1 . . . . . . . . . rr_2mce 1
. 16 . 4952 . 1 1 13 LYS HZ3 H 0.864 1.956 -7.634 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HZ3 . . . . . . . . . rr_2mce 1
. 16 . 4953 . 1 1 13 LYS N N 2.752 -1.524 -1.741 . . . 1.0 . . . . . . . . . . . . A . 13 LYS N . . . . . . . . . rr_2mce 1
. 16 . 4954 . 1 1 13 LYS NZ N 1.314 2.335 -6.808 . . . 1.0 . . . . . . . . . . . . A . 13 LYS NZ . . . . . . . . . rr_2mce 1
. 16 . 4955 . 1 1 13 LYS O O 6.296 -1.419 -1.951 . . . 1.0 . . . . . . . . . . . . A . 13 LYS O . . . . . . . . . rr_2mce 1
. 16 . 4956 . 1 1 14 THR C C 6.368 -2.734 0.947 . . . 1.0 . . . . . . . . . . . . A . 14 THR C . . . . . . . . . rr_2mce 1
. 16 . 4957 . 1 1 14 THR CA C 5.902 -1.285 0.797 . . . 1.0 . . . . . . . . . . . . A . 14 THR CA . . . . . . . . . rr_2mce 1
. 16 . 4958 . 1 1 14 THR CB C 5.354 -0.687 2.094 . . . 1.0 . . . . . . . . . . . . A . 14 THR CB . . . . . . . . . rr_2mce 1
. 16 . 4959 . 1 1 14 THR CG2 C 4.637 -1.723 2.960 . . . 1.0 . . . . . . . . . . . . A . 14 THR CG2 . . . . . . . . . rr_2mce 1
. 16 . 4960 . 1 1 14 THR H H 3.938 -1.064 0.140 . . . 1.0 . . . . . . . . . . . . A . 14 THR H . . . . . . . . . rr_2mce 1
. 16 . 4961 . 1 1 14 THR HA H 6.762 -0.705 0.463 . . . 1.0 . . . . . . . . . . . . A . 14 THR HA . . . . . . . . . rr_2mce 1
. 16 . 4962 . 1 1 14 THR HB H 4.704 0.164 1.887 . . . 1.0 . . . . . . . . . . . . A . 14 THR HB . . . . . . . . . rr_2mce 1
. 16 . 4963 . 1 1 14 THR HG1 H 6.266 -0.093 3.774 . . . 1.0 . . . . . . . . . . . . A . 14 THR HG1 . . . . . . . . . rr_2mce 1
. 16 . 4964 . 1 1 14 THR HG21 H 5.345 -2.165 3.662 . . . 1.0 . . . . . . . . . . . . A . 14 THR HG21 . . . . . . . . . rr_2mce 1
. 16 . 4965 . 1 1 14 THR HG22 H 3.832 -1.241 3.514 . . . 1.0 . . . . . . . . . . . . A . 14 THR HG22 . . . . . . . . . rr_2mce 1
. 16 . 4966 . 1 1 14 THR HG23 H 4.222 -2.505 2.324 . . . 1.0 . . . . . . . . . . . . A . 14 THR HG23 . . . . . . . . . rr_2mce 1
. 16 . 4967 . 1 1 14 THR N N 4.865 -1.189 -0.215 . . . 1.0 . . . . . . . . . . . . A . 14 THR N . . . . . . . . . rr_2mce 1
. 16 . 4968 . 1 1 14 THR O O 7.488 -2.987 1.389 . . . 1.0 . . . . . . . . . . . . A . 14 THR O . . . . . . . . . rr_2mce 1
. 16 . 4969 . 1 1 14 THR OG1 O 6.520 -0.354 2.843 . . . 1.0 . . . . . . . . . . . . A . 14 THR OG1 . . . . . . . . . rr_2mce 1
. 16 . 4970 . 1 1 15 ASP C C 6.757 -5.445 -0.471 . . . 1.0 . . . . . . . . . . . . A . 15 ASP C . . . . . . . . . rr_2mce 1
. 16 . 4971 . 1 1 15 ASP CA C 5.794 -5.066 0.656 . . . 1.0 . . . . . . . . . . . . A . 15 ASP CA . . . . . . . . . rr_2mce 1
. 16 . 4972 . 1 1 15 ASP CB C 4.530 -5.914 0.502 . . . 1.0 . . . . . . . . . . . . A . 15 ASP CB . . . . . . . . . rr_2mce 1
. 16 . 4973 . 1 1 15 ASP CG C 3.609 -5.928 1.724 . . . 1.0 . . . . . . . . . . . . A . 15 ASP CG . . . . . . . . . rr_2mce 1
. 16 . 4974 . 1 1 15 ASP H H 4.578 -3.434 0.212 . . . 1.0 . . . . . . . . . . . . A . 15 ASP H . . . . . . . . . rr_2mce 1
. 16 . 4975 . 1 1 15 ASP HA H 6.233 -5.204 1.644 . . . 1.0 . . . . . . . . . . . . A . 15 ASP HA . . . . . . . . . rr_2mce 1
. 16 . 4976 . 1 1 15 ASP HB2 H 3.967 -5.547 -0.355 . . . 1.0 . . . . . . . . . . . . A . 15 ASP HB2 . . . . . . . . . rr_2mce 1
. 16 . 4977 . 1 1 15 ASP HB3 H 4.823 -6.939 0.276 . . . 1.0 . . . . . . . . . . . . A . 15 ASP HB3 . . . . . . . . . rr_2mce 1
. 16 . 4978 . 1 1 15 ASP HD2 H 2.017 -5.229 2.447 . . . 1.0 . . . . . . . . . . . . A . 15 ASP HD2 . . . . . . . . . rr_2mce 1
. 16 . 4979 . 1 1 15 ASP N N 5.486 -3.649 0.570 . . . 1.0 . . . . . . . . . . . . A . 15 ASP N . . . . . . . . . rr_2mce 1
. 16 . 4980 . 1 1 15 ASP O O 7.540 -6.383 -0.334 . . . 1.0 . . . . . . . . . . . . A . 15 ASP O . . . . . . . . . rr_2mce 1
. 16 . 4981 . 1 1 15 ASP OD1 O 3.791 -6.728 2.653 . . . 1.0 . . . . . . . . . . . . A . 15 ASP OD1 . . . . . . . . . rr_2mce 1
. 16 . 4982 . 1 1 15 ASP OD2 O 2.656 -5.059 1.698 . . . 1.0 . . . . . . . . . . . . A . 15 ASP OD2 . . . . . . . . . rr_2mce 1
. 16 . 4983 . 1 1 16 SER C C 8.938 -4.440 -2.425 . . . 1.0 . . . . . . . . . . . . A . 16 SER C . . . . . . . . . rr_2mce 1
. 16 . 4984 . 1 1 16 SER CA C 7.521 -4.939 -2.710 . . . 1.0 . . . . . . . . . . . . A . 16 SER CA . . . . . . . . . rr_2mce 1
. 16 . 4985 . 1 1 16 SER CB C 6.961 -4.265 -3.964 . . . 1.0 . . . . . . . . . . . . A . 16 SER CB . . . . . . . . . rr_2mce 1
. 16 . 4986 . 1 1 16 SER H H 6.027 -3.933 -1.663 . . . 1.0 . . . . . . . . . . . . A . 16 SER H . . . . . . . . . rr_2mce 1
. 16 . 4987 . 1 1 16 SER HA H 7.516 -6.021 -2.848 . . . 1.0 . . . . . . . . . . . . A . 16 SER HA . . . . . . . . . rr_2mce 1
. 16 . 4988 . 1 1 16 SER HB2 H 5.943 -4.612 -4.140 . . . 1.0 . . . . . . . . . . . . A . 16 SER HB2 . . . . . . . . . rr_2mce 1
. 16 . 4989 . 1 1 16 SER HB3 H 6.907 -3.189 -3.803 . . . 1.0 . . . . . . . . . . . . A . 16 SER HB3 . . . . . . . . . rr_2mce 1
. 16 . 4990 . 1 1 16 SER HG H 7.936 -5.515 -5.186 . . . 1.0 . . . . . . . . . . . . A . 16 SER HG . . . . . . . . . rr_2mce 1
. 16 . 4991 . 1 1 16 SER N N 6.667 -4.695 -1.560 . . . 1.0 . . . . . . . . . . . . A . 16 SER N . . . . . . . . . rr_2mce 1
. 16 . 4992 . 1 1 16 SER O O 9.895 -4.881 -3.060 . . . 1.0 . . . . . . . . . . . . A . 16 SER O . . . . . . . . . rr_2mce 1
. 16 . 4993 . 1 1 16 SER OG O 7.759 -4.533 -5.114 . . . 1.0 . . . . . . . . . . . . A . 16 SER OG . . . . . . . . . rr_2mce 1
. 16 . 4994 . 1 1 17 PHE C C 11.127 -3.955 -0.263 . . . 1.0 . . . . . . . . . . . . A . 17 PHE C . . . . . . . . . rr_2mce 1
. 16 . 4995 . 1 1 17 PHE CA C 10.313 -2.961 -1.094 . . . 1.0 . . . . . . . . . . . . A . 17 PHE CA . . . . . . . . . rr_2mce 1
. 16 . 4996 . 1 1 17 PHE CB C 10.025 -1.721 -0.246 . . . 1.0 . . . . . . . . . . . . A . 17 PHE CB . . . . . . . . . rr_2mce 1
. 16 . 4997 . 1 1 17 PHE CD1 C 12.021 -0.207 -0.204 . . . 1.0 . . . . . . . . . . . . A . 17 PHE CD1 . . . . . . . . . rr_2mce 1
. 16 . 4998 . 1 1 17 PHE CD2 C 10.212 0.383 -1.594 . . . 1.0 . . . . . . . . . . . . A . 17 PHE CD2 . . . . . . . . . rr_2mce 1
. 16 . 4999 . 1 1 17 PHE CE1 C 12.721 0.954 -0.624 . . . 1.0 . . . . . . . . . . . . A . 17 PHE CE1 . . . . . . . . . rr_2mce 1
. 16 . 5000 . 1 1 17 PHE CE2 C 10.912 1.544 -2.013 . . . 1.0 . . . . . . . . . . . . A . 17 PHE CE2 . . . . . . . . . rr_2mce 1
. 16 . 5001 . 1 1 17 PHE CG C 10.781 -0.469 -0.698 . . . 1.0 . . . . . . . . . . . . A . 17 PHE CG . . . . . . . . . rr_2mce 1
. 16 . 5002 . 1 1 17 PHE CZ C 12.152 1.805 -1.520 . . . 1.0 . . . . . . . . . . . . A . 17 PHE CZ . . . . . . . . . rr_2mce 1
. 16 . 5003 . 1 1 17 PHE H H 8.245 -3.172 -0.958 . . . 1.0 . . . . . . . . . . . . A . 17 PHE H . . . . . . . . . rr_2mce 1
. 16 . 5004 . 1 1 17 PHE HA H 10.850 -2.736 -2.016 . . . 1.0 . . . . . . . . . . . . A . 17 PHE HA . . . . . . . . . rr_2mce 1
. 16 . 5005 . 1 1 17 PHE HB2 H 8.955 -1.515 -0.272 . . . 1.0 . . . . . . . . . . . . A . 17 PHE HB2 . . . . . . . . . rr_2mce 1
. 16 . 5006 . 1 1 17 PHE HB3 H 10.285 -1.934 0.791 . . . 1.0 . . . . . . . . . . . . A . 17 PHE HB3 . . . . . . . . . rr_2mce 1
. 16 . 5007 . 1 1 17 PHE HD1 H 12.477 -0.889 0.513 . . . 1.0 . . . . . . . . . . . . A . 17 PHE HD1 . . . . . . . . . rr_2mce 1
. 16 . 5008 . 1 1 17 PHE HD2 H 9.218 0.173 -1.989 . . . 1.0 . . . . . . . . . . . . A . 17 PHE HD2 . . . . . . . . . rr_2mce 1
. 16 . 5009 . 1 1 17 PHE HE1 H 13.715 1.164 -0.228 . . . 1.0 . . . . . . . . . . . . A . 17 PHE HE1 . . . . . . . . . rr_2mce 1
. 16 . 5010 . 1 1 17 PHE HE2 H 10.456 2.226 -2.730 . . . 1.0 . . . . . . . . . . . . A . 17 PHE HE2 . . . . . . . . . rr_2mce 1
. 16 . 5011 . 1 1 17 PHE HZ H 12.691 2.697 -1.841 . . . 1.0 . . . . . . . . . . . . A . 17 PHE HZ . . . . . . . . . rr_2mce 1
. 16 . 5012 . 1 1 17 PHE N N 9.028 -3.525 -1.470 . . . 1.0 . . . . . . . . . . . . A . 17 PHE N . . . . . . . . . rr_2mce 1
. 16 . 5013 . 1 1 17 PHE O O 12.353 -3.866 -0.207 . . . 1.0 . . . . . . . . . . . . A . 17 PHE O . . . . . . . . . rr_2mce 1
. 16 . 5014 . 1 1 18 VAL C C 11.799 -6.877 0.290 . . . 1.0 . . . . . . . . . . . . A . 18 VAL C . . . . . . . . . rr_2mce 1
. 16 . 5015 . 1 1 18 VAL CA C 11.052 -5.889 1.188 . . . 1.0 . . . . . . . . . . . . A . 18 VAL CA . . . . . . . . . rr_2mce 1
. 16 . 5016 . 1 1 18 VAL CB C 10.014 -6.565 2.087 . . . 1.0 . . . . . . . . . . . . A . 18 VAL CB . . . . . . . . . rr_2mce 1
. 16 . 5017 . 1 1 18 VAL CG1 C 10.693 -7.382 3.187 . . . 1.0 . . . . . . . . . . . . A . 18 VAL CG1 . . . . . . . . . rr_2mce 1
. 16 . 5018 . 1 1 18 VAL CG2 C 9.052 -5.534 2.683 . . . 1.0 . . . . . . . . . . . . A . 18 VAL CG2 . . . . . . . . . rr_2mce 1
. 16 . 5019 . 1 1 18 VAL H H 9.415 -4.945 0.311 . . . 1.0 . . . . . . . . . . . . A . 18 VAL H . . . . . . . . . rr_2mce 1
. 16 . 5020 . 1 1 18 VAL HA H 11.774 -5.381 1.827 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HA . . . . . . . . . rr_2mce 1
. 16 . 5021 . 1 1 18 VAL HB H 9.433 -7.249 1.471 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HB . . . . . . . . . rr_2mce 1
. 16 . 5022 . 1 1 18 VAL HG11 H 10.241 -8.373 3.234 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HG11 . . . . . . . . . rr_2mce 1
. 16 . 5023 . 1 1 18 VAL HG12 H 11.757 -7.477 2.967 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HG12 . . . . . . . . . rr_2mce 1
. 16 . 5024 . 1 1 18 VAL HG13 H 10.564 -6.878 4.146 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HG13 . . . . . . . . . rr_2mce 1
. 16 . 5025 . 1 1 18 VAL HG21 H 9.556 -4.571 2.765 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HG21 . . . . . . . . . rr_2mce 1
. 16 . 5026 . 1 1 18 VAL HG22 H 8.180 -5.436 2.035 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HG22 . . . . . . . . . rr_2mce 1
. 16 . 5027 . 1 1 18 VAL HG23 H 8.734 -5.865 3.672 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HG23 . . . . . . . . . rr_2mce 1
. 16 . 5028 . 1 1 18 VAL N N 10.412 -4.879 0.361 . . . 1.0 . . . . . . . . . . . . A . 18 VAL N . . . . . . . . . rr_2mce 1
. 16 . 5029 . 1 1 18 VAL O O 12.814 -7.444 0.693 . . . 1.0 . . . . . . . . . . . . A . 18 VAL O . . . . . . . . . rr_2mce 1
. 16 . 5030 . 1 1 19 GLY C C 12.986 -7.270 -2.657 . . . 1.0 . . . . . . . . . . . . A . 19 GLY C . . . . . . . . . rr_2mce 1
. 16 . 5031 . 1 1 19 GLY CA C 11.872 -7.964 -1.870 . . . 1.0 . . . . . . . . . . . . A . 19 GLY CA . . . . . . . . . rr_2mce 1
. 16 . 5032 . 1 1 19 GLY H H 10.443 -6.589 -1.232 . . . 1.0 . . . . . . . . . . . . A . 19 GLY H . . . . . . . . . rr_2mce 1
. 16 . 5033 . 1 1 19 GLY HA2 H 12.276 -8.831 -1.348 . . . 1.0 . . . . . . . . . . . . A . 19 GLY HA2 . . . . . . . . . rr_2mce 1
. 16 . 5034 . 1 1 19 GLY HA3 H 11.111 -8.331 -2.557 . . . 1.0 . . . . . . . . . . . . A . 19 GLY HA3 . . . . . . . . . rr_2mce 1
. 16 . 5035 . 1 1 19 GLY N N 11.269 -7.053 -0.912 . . . 1.0 . . . . . . . . . . . . A . 19 GLY N . . . . . . . . . rr_2mce 1
. 16 . 5036 . 1 1 19 GLY O O 13.629 -7.888 -3.504 . . . 1.0 . . . . . . . . . . . . A . 19 GLY O . . . . . . . . . rr_2mce 1
. 16 . 5037 . 1 1 20 LEU C C 15.519 -5.330 -2.240 . . . 1.0 . . . . . . . . . . . . A . 20 LEU C . . . . . . . . . rr_2mce 1
. 16 . 5038 . 1 1 20 LEU CA C 14.206 -5.213 -3.017 . . . 1.0 . . . . . . . . . . . . A . 20 LEU CA . . . . . . . . . rr_2mce 1
. 16 . 5039 . 1 1 20 LEU CB C 13.734 -3.771 -3.215 . . . 1.0 . . . . . . . . . . . . A . 20 LEU CB . . . . . . . . . rr_2mce 1
. 16 . 5040 . 1 1 20 LEU CD1 C 15.080 -3.195 -5.269 . . . 1.0 . . . . . . . . . . . . A . 20 LEU CD1 . . . . . . . . . rr_2mce 1
. 16 . 5041 . 1 1 20 LEU CD2 C 12.740 -4.144 -5.501 . . . 1.0 . . . . . . . . . . . . A . 20 LEU CD2 . . . . . . . . . rr_2mce 1
. 16 . 5042 . 1 1 20 LEU CG C 13.678 -3.276 -4.662 . . . 1.0 . . . . . . . . . . . . A . 20 LEU CG . . . . . . . . . rr_2mce 1
. 16 . 5043 . 1 1 20 LEU H H 12.654 -5.502 -1.658 . . . 1.0 . . . . . . . . . . . . A . 20 LEU H . . . . . . . . . rr_2mce 1
. 16 . 5044 . 1 1 20 LEU HA H 14.352 -5.644 -4.008 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HA . . . . . . . . . rr_2mce 1
. 16 . 5045 . 1 1 20 LEU HB2 H 12.740 -3.672 -2.779 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HB2 . . . . . . . . . rr_2mce 1
. 16 . 5046 . 1 1 20 LEU HB3 H 14.397 -3.113 -2.653 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HB3 . . . . . . . . . rr_2mce 1
. 16 . 5047 . 1 1 20 LEU HD11 H 15.681 -4.030 -4.907 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HD11 . . . . . . . . . rr_2mce 1
. 16 . 5048 . 1 1 20 LEU HD12 H 15.009 -3.243 -6.355 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HD12 . . . . . . . . . rr_2mce 1
. 16 . 5049 . 1 1 20 LEU HD13 H 15.549 -2.256 -4.976 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HD13 . . . . . . . . . rr_2mce 1
. 16 . 5050 . 1 1 20 LEU HD21 H 12.017 -3.509 -6.013 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HD21 . . . . . . . . . rr_2mce 1
. 16 . 5051 . 1 1 20 LEU HD22 H 13.319 -4.700 -6.238 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HD22 . . . . . . . . . rr_2mce 1
. 16 . 5052 . 1 1 20 LEU HD23 H 12.212 -4.843 -4.852 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HD23 . . . . . . . . . rr_2mce 1
. 16 . 5053 . 1 1 20 LEU HG H 13.268 -2.266 -4.661 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HG . . . . . . . . . rr_2mce 1
. 16 . 5054 . 1 1 20 LEU N N 13.181 -5.997 -2.349 . . . 1.0 . . . . . . . . . . . . A . 20 LEU N . . . . . . . . . rr_2mce 1
. 16 . 5055 . 1 1 20 LEU O O 16.596 -5.139 -2.802 . . . 1.0 . . . . . . . . . . . . A . 20 LEU O . . . . . . . . . rr_2mce 1
. 16 . 5056 . 1 1 21 MET C C 17.179 -7.172 -0.259 . . . 1.0 . . . . . . . . . . . . A . 21 MET C . . . . . . . . . rr_2mce 1
. 16 . 5057 . 1 1 21 MET CA C 16.547 -5.787 -0.100 . . . 1.0 . . . . . . . . . . . . A . 21 MET CA . . . . . . . . . rr_2mce 1
. 16 . 5058 . 1 1 21 MET CB C 16.132 -5.581 1.359 . . . 1.0 . . . . . . . . . . . . A . 21 MET CB . . . . . . . . . rr_2mce 1
. 16 . 5059 . 1 1 21 MET CE C 15.882 -4.692 4.429 . . . 1.0 . . . . . . . . . . . . A . 21 MET CE . . . . . . . . . rr_2mce 1
. 16 . 5060 . 1 1 21 MET CG C 16.374 -4.135 1.798 . . . 1.0 . . . . . . . . . . . . A . 21 MET CG . . . . . . . . . rr_2mce 1
. 16 . 5061 . 1 1 21 MET H H 14.505 -5.797 -0.510 . . . 1.0 . . . . . . . . . . . . A . 21 MET H . . . . . . . . . rr_2mce 1
. 16 . 5062 . 1 1 21 MET HA H 17.250 -5.021 -0.425 . . . 1.0 . . . . . . . . . . . . A . 21 MET HA . . . . . . . . . rr_2mce 1
. 16 . 5063 . 1 1 21 MET HB2 H 15.079 -5.829 1.479 . . . 1.0 . . . . . . . . . . . . A . 21 MET HB2 . . . . . . . . . rr_2mce 1
. 16 . 5064 . 1 1 21 MET HB3 H 16.696 -6.258 2.001 . . . 1.0 . . . . . . . . . . . . A . 21 MET HB3 . . . . . . . . . rr_2mce 1
. 16 . 5065 . 1 1 21 MET HE1 H 16.022 -5.754 4.631 . . . 1.0 . . . . . . . . . . . . A . 21 MET HE1 . . . . . . . . . rr_2mce 1
. 16 . 5066 . 1 1 21 MET HE2 H 15.893 -4.139 5.369 . . . 1.0 . . . . . . . . . . . . A . 21 MET HE2 . . . . . . . . . rr_2mce 1
. 16 . 5067 . 1 1 21 MET HE3 H 14.926 -4.541 3.930 . . . 1.0 . . . . . . . . . . . . A . 21 MET HE3 . . . . . . . . . rr_2mce 1
. 16 . 5068 . 1 1 21 MET HG2 H 16.978 -3.616 1.053 . . . 1.0 . . . . . . . . . . . . A . 21 MET HG2 . . . . . . . . . rr_2mce 1
. 16 . 5069 . 1 1 21 MET HG3 H 15.425 -3.604 1.865 . . . 1.0 . . . . . . . . . . . . A . 21 MET HG3 . . . . . . . . . rr_2mce 1
. 16 . 5070 . 1 1 21 MET N N 15.385 -5.643 -0.959 . . . 1.0 . . . . . . . . . . . . A . 21 MET N . . . . . . . . . rr_2mce 1
. 16 . 5071 . 1 1 21 MET O O 18.000 -7.583 0.560 . . . 1.0 . . . . . . . . . . . . A . 21 MET O . . . . . . . . . rr_2mce 1
. 16 . 5072 . 1 1 21 MET SD S 17.201 -4.108 3.379 . . . 1.0 . . . . . . . . . . . . A . 21 MET SD . . . . . . . . . rr_2mce 1
. 17 . 5073 . 1 1 1 ASP C C -14.639 7.822 -0.635 . . . 1.0 . . . . . . . . . . . . A . 1 ASP C . . . . . . . . . rr_2mce 1
. 17 . 5074 . 1 1 1 ASP CA C -15.093 8.868 -1.655 . . . 1.0 . . . . . . . . . . . . A . 1 ASP CA . . . . . . . . . rr_2mce 1
. 17 . 5075 . 1 1 1 ASP CB C -15.159 10.223 -0.946 . . . 1.0 . . . . . . . . . . . . A . 1 ASP CB . . . . . . . . . rr_2mce 1
. 17 . 5076 . 1 1 1 ASP CG C -15.600 11.393 -1.827 . . . 1.0 . . . . . . . . . . . . A . 1 ASP CG . . . . . . . . . rr_2mce 1
. 17 . 5077 . 1 1 1 ASP H1 H -17.135 8.482 -1.514 . . . 1.0 . . . . . . . . . . . . A . 1 ASP H1 . . . . . . . . . rr_2mce 1
. 17 . 5078 . 1 1 1 ASP HA H -14.434 8.918 -2.522 . . . 1.0 . . . . . . . . . . . . A . 1 ASP HA . . . . . . . . . rr_2mce 1
. 17 . 5079 . 1 1 1 ASP HB2 H -15.847 10.142 -0.105 . . . 1.0 . . . . . . . . . . . . A . 1 ASP HB2 . . . . . . . . . rr_2mce 1
. 17 . 5080 . 1 1 1 ASP HB3 H -14.175 10.448 -0.534 . . . 1.0 . . . . . . . . . . . . A . 1 ASP HB3 . . . . . . . . . rr_2mce 1
. 17 . 5081 . 1 1 1 ASP HD2 H -13.800 11.818 -2.187 . . . 1.0 . . . . . . . . . . . . A . 1 ASP HD2 . . . . . . . . . rr_2mce 1
. 17 . 5082 . 1 1 1 ASP N N -16.392 8.490 -2.184 . . . 1.0 . . . . . . . . . . . . A . 1 ASP N . . . . . . . . . rr_2mce 1
. 17 . 5083 . 1 1 1 ASP O O -13.743 8.081 0.168 . . . 1.0 . . . . . . . . . . . . A . 1 ASP O . . . . . . . . . rr_2mce 1
. 17 . 5084 . 1 1 1 ASP OD1 O -16.748 11.853 -1.750 . . . 1.0 . . . . . . . . . . . . A . 1 ASP OD1 . . . . . . . . . rr_2mce 1
. 17 . 5085 . 1 1 1 ASP OD2 O -14.696 11.840 -2.632 . . . 1.0 . . . . . . . . . . . . A . 1 ASP OD2 . . . . . . . . . rr_2mce 1
. 17 . 5086 . 1 1 2 ALA C C -13.561 5.035 -0.130 . . . 1.0 . . . . . . . . . . . . A . 2 ALA C . . . . . . . . . rr_2mce 1
. 17 . 5087 . 1 1 2 ALA CA C -14.951 5.577 0.210 . . . 1.0 . . . . . . . . . . . . A . 2 ALA CA . . . . . . . . . rr_2mce 1
. 17 . 5088 . 1 1 2 ALA CB C -16.033 4.499 0.127 . . . 1.0 . . . . . . . . . . . . A . 2 ALA CB . . . . . . . . . rr_2mce 1
. 17 . 5089 . 1 1 2 ALA H H -16.005 6.461 -1.354 . . . 1.0 . . . . . . . . . . . . A . 2 ALA H . . . . . . . . . rr_2mce 1
. 17 . 5090 . 1 1 2 ALA HA H -14.936 5.983 1.220 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HA . . . . . . . . . rr_2mce 1
. 17 . 5091 . 1 1 2 ALA HB1 H -15.678 3.590 0.613 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HB1 . . . . . . . . . rr_2mce 1
. 17 . 5092 . 1 1 2 ALA HB2 H -16.935 4.850 0.629 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HB2 . . . . . . . . . rr_2mce 1
. 17 . 5093 . 1 1 2 ALA HB3 H -16.258 4.289 -0.918 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HB3 . . . . . . . . . rr_2mce 1
. 17 . 5094 . 1 1 2 ALA N N -15.277 6.664 -0.699 . . . 1.0 . . . . . . . . . . . . A . 2 ALA N . . . . . . . . . rr_2mce 1
. 17 . 5095 . 1 1 2 ALA O O -13.019 4.206 0.599 . . . 1.0 . . . . . . . . . . . . A . 2 ALA O . . . . . . . . . rr_2mce 1
. 17 . 5096 . 1 1 3 GLY C C -10.610 5.707 -0.808 . . . 1.0 . . . . . . . . . . . . A . 3 GLY C . . . . . . . . . rr_2mce 1
. 17 . 5097 . 1 1 3 GLY CA C -11.708 5.099 -1.683 . . . 1.0 . . . . . . . . . . . . A . 3 GLY CA . . . . . . . . . rr_2mce 1
. 17 . 5098 . 1 1 3 GLY H H -13.472 6.199 -1.826 . . . 1.0 . . . . . . . . . . . . A . 3 GLY H . . . . . . . . . rr_2mce 1
. 17 . 5099 . 1 1 3 GLY HA2 H -11.643 4.012 -1.651 . . . 1.0 . . . . . . . . . . . . A . 3 GLY HA2 . . . . . . . . . rr_2mce 1
. 17 . 5100 . 1 1 3 GLY HA3 H -11.557 5.398 -2.721 . . . 1.0 . . . . . . . . . . . . A . 3 GLY HA3 . . . . . . . . . rr_2mce 1
. 17 . 5101 . 1 1 3 GLY N N -13.024 5.525 -1.238 . . . 1.0 . . . . . . . . . . . . A . 3 GLY N . . . . . . . . . rr_2mce 1
. 17 . 5102 . 1 1 3 GLY O O -9.426 5.462 -1.031 . . . 1.0 . . . . . . . . . . . . A . 3 GLY O . . . . . . . . . rr_2mce 1
. 17 . 5103 . 1 1 4 HIS C C -9.416 6.075 1.939 . . . 1.0 . . . . . . . . . . . . A . 4 HIS C . . . . . . . . . rr_2mce 1
. 17 . 5104 . 1 1 4 HIS CA C -10.111 7.134 1.081 . . . 1.0 . . . . . . . . . . . . A . 4 HIS CA . . . . . . . . . rr_2mce 1
. 17 . 5105 . 1 1 4 HIS CB C -10.820 8.202 1.917 . . . 1.0 . . . . . . . . . . . . A . 4 HIS CB . . . . . . . . . rr_2mce 1
. 17 . 5106 . 1 1 4 HIS CD2 C -10.810 7.704 4.482 . . . 1.0 . . . . . . . . . . . . A . 4 HIS CD2 . . . . . . . . . rr_2mce 1
. 17 . 5107 . 1 1 4 HIS CE1 C -12.779 6.762 4.626 . . . 1.0 . . . . . . . . . . . . A . 4 HIS CE1 . . . . . . . . . rr_2mce 1
. 17 . 5108 . 1 1 4 HIS CG C -11.357 7.695 3.234 . . . 1.0 . . . . . . . . . . . . A . 4 HIS CG . . . . . . . . . rr_2mce 1
. 17 . 5109 . 1 1 4 HIS H H -12.008 6.684 0.345 . . . 1.0 . . . . . . . . . . . . A . 4 HIS H . . . . . . . . . rr_2mce 1
. 17 . 5110 . 1 1 4 HIS HA H -9.367 7.636 0.463 . . . 1.0 . . . . . . . . . . . . A . 4 HIS HA . . . . . . . . . rr_2mce 1
. 17 . 5111 . 1 1 4 HIS HB2 H -10.124 9.018 2.110 . . . 1.0 . . . . . . . . . . . . A . 4 HIS HB2 . . . . . . . . . rr_2mce 1
. 17 . 5112 . 1 1 4 HIS HB3 H -11.644 8.617 1.335 . . . 1.0 . . . . . . . . . . . . A . 4 HIS HB3 . . . . . . . . . rr_2mce 1
. 17 . 5113 . 1 1 4 HIS HD1 H -13.248 6.937 2.612 . . . 1.0 . . . . . . . . . . . . A . 4 HIS HD1 . . . . . . . . . rr_2mce 1
. 17 . 5114 . 1 1 4 HIS HD2 H -9.831 8.106 4.747 . . . 1.0 . . . . . . . . . . . . A . 4 HIS HD2 . . . . . . . . . rr_2mce 1
. 17 . 5115 . 1 1 4 HIS HE1 H -13.660 6.271 5.040 . . . 1.0 . . . . . . . . . . . . A . 4 HIS HE1 . . . . . . . . . rr_2mce 1
. 17 . 5116 . 1 1 4 HIS N N -11.043 6.489 0.171 . . . 1.0 . . . . . . . . . . . . A . 4 HIS N . . . . . . . . . rr_2mce 1
. 17 . 5117 . 1 1 4 HIS ND1 N -12.598 7.093 3.356 . . . 1.0 . . . . . . . . . . . . A . 4 HIS ND1 . . . . . . . . . rr_2mce 1
. 17 . 5118 . 1 1 4 HIS NE2 N -11.670 7.141 5.323 . . . 1.0 . . . . . . . . . . . . A . 4 HIS NE2 . . . . . . . . . rr_2mce 1
. 17 . 5119 . 1 1 4 HIS O O -8.373 6.340 2.535 . . . 1.0 . . . . . . . . . . . . A . 4 HIS O . . . . . . . . . rr_2mce 1
. 17 . 5120 . 1 1 5 GLY C C -8.392 3.055 1.960 . . . 1.0 . . . . . . . . . . . . A . 5 GLY C . . . . . . . . . rr_2mce 1
. 17 . 5121 . 1 1 5 GLY CA C -9.473 3.797 2.748 . . . 1.0 . . . . . . . . . . . . A . 5 GLY CA . . . . . . . . . rr_2mce 1
. 17 . 5122 . 1 1 5 GLY H H -10.869 4.689 1.486 . . . 1.0 . . . . . . . . . . . . A . 5 GLY H . . . . . . . . . rr_2mce 1
. 17 . 5123 . 1 1 5 GLY HA2 H -9.053 4.177 3.680 . . . 1.0 . . . . . . . . . . . . A . 5 GLY HA2 . . . . . . . . . rr_2mce 1
. 17 . 5124 . 1 1 5 GLY HA3 H -10.270 3.104 3.018 . . . 1.0 . . . . . . . . . . . . A . 5 GLY HA3 . . . . . . . . . rr_2mce 1
. 17 . 5125 . 1 1 5 GLY N N -10.022 4.897 1.974 . . . 1.0 . . . . . . . . . . . . A . 5 GLY N . . . . . . . . . rr_2mce 1
. 17 . 5126 . 1 1 5 GLY O O -7.617 2.289 2.531 . . . 1.0 . . . . . . . . . . . . A . 5 GLY O . . . . . . . . . rr_2mce 1
. 17 . 5127 . 1 1 6 GLN C C -6.003 3.237 0.054 . . . 1.0 . . . . . . . . . . . . A . 6 GLN C . . . . . . . . . rr_2mce 1
. 17 . 5128 . 1 1 6 GLN CA C -7.402 2.676 -0.214 . . . 1.0 . . . . . . . . . . . . A . 6 GLN CA . . . . . . . . . rr_2mce 1
. 17 . 5129 . 1 1 6 GLN CB C -7.789 2.849 -1.684 . . . 1.0 . . . . . . . . . . . . A . 6 GLN CB . . . . . . . . . rr_2mce 1
. 17 . 5130 . 1 1 6 GLN CD C -8.962 1.629 -3.554 . . . 1.0 . . . . . . . . . . . . A . 6 GLN CD . . . . . . . . . rr_2mce 1
. 17 . 5131 . 1 1 6 GLN CG C -8.025 1.493 -2.351 . . . 1.0 . . . . . . . . . . . . A . 6 GLN CG . . . . . . . . . rr_2mce 1
. 17 . 5132 . 1 1 6 GLN H H -9.008 3.934 0.203 . . . 1.0 . . . . . . . . . . . . A . 6 GLN H . . . . . . . . . rr_2mce 1
. 17 . 5133 . 1 1 6 GLN HA H -7.430 1.617 0.041 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HA . . . . . . . . . rr_2mce 1
. 17 . 5134 . 1 1 6 GLN HB2 H -8.691 3.456 -1.757 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HB2 . . . . . . . . . rr_2mce 1
. 17 . 5135 . 1 1 6 GLN HB3 H -7.001 3.386 -2.211 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HB3 . . . . . . . . . rr_2mce 1
. 17 . 5136 . 1 1 6 GLN HE21 H -10.518 1.758 -2.265 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HE21 . . . . . . . . . rr_2mce 1
. 17 . 5137 . 1 1 6 GLN HE22 H -10.935 1.853 -3.944 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HE22 . . . . . . . . . rr_2mce 1
. 17 . 5138 . 1 1 6 GLN HG2 H -7.073 1.071 -2.675 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HG2 . . . . . . . . . rr_2mce 1
. 17 . 5139 . 1 1 6 GLN HG3 H -8.453 0.797 -1.630 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HG3 . . . . . . . . . rr_2mce 1
. 17 . 5140 . 1 1 6 GLN N N -8.374 3.310 0.660 . . . 1.0 . . . . . . . . . . . . A . 6 GLN N . . . . . . . . . rr_2mce 1
. 17 . 5141 . 1 1 6 GLN NE2 N -10.245 1.758 -3.227 . . . 1.0 . . . . . . . . . . . . A . 6 GLN NE2 . . . . . . . . . rr_2mce 1
. 17 . 5142 . 1 1 6 GLN O O -5.002 2.601 -0.270 . . . 1.0 . . . . . . . . . . . . A . 6 GLN O . . . . . . . . . rr_2mce 1
. 17 . 5143 . 1 1 6 GLN OE1 O -8.547 1.619 -4.701 . . . 1.0 . . . . . . . . . . . . A . 6 GLN OE1 . . . . . . . . . rr_2mce 1
. 17 . 5144 . 1 1 7 ILE C C -4.014 4.305 2.073 . . . 1.0 . . . . . . . . . . . . A . 7 ILE C . . . . . . . . . rr_2mce 1
. 17 . 5145 . 1 1 7 ILE CA C -4.721 5.078 0.959 . . . 1.0 . . . . . . . . . . . . A . 7 ILE CA . . . . . . . . . rr_2mce 1
. 17 . 5146 . 1 1 7 ILE CB C -4.951 6.554 1.285 . . . 1.0 . . . . . . . . . . . . A . 7 ILE CB . . . . . . . . . rr_2mce 1
. 17 . 5147 . 1 1 7 ILE CD1 C -6.250 8.597 0.577 . . . 1.0 . . . . . . . . . . . . A . 7 ILE CD1 . . . . . . . . . rr_2mce 1
. 17 . 5148 . 1 1 7 ILE CG1 C -5.633 7.274 0.120 . . . 1.0 . . . . . . . . . . . . A . 7 ILE CG1 . . . . . . . . . rr_2mce 1
. 17 . 5149 . 1 1 7 ILE CG2 C -3.644 7.237 1.693 . . . 1.0 . . . . . . . . . . . . A . 7 ILE CG2 . . . . . . . . . rr_2mce 1
. 17 . 5150 . 1 1 7 ILE H H -6.799 4.935 0.903 . . . 1.0 . . . . . . . . . . . . A . 7 ILE H . . . . . . . . . rr_2mce 1
. 17 . 5151 . 1 1 7 ILE HA H -4.099 5.039 0.064 . . . 1.0 . . . . . . . . . . . . A . 7 ILE HA . . . . . . . . . rr_2mce 1
. 17 . 5152 . 1 1 7 ILE HB H -5.626 6.615 2.139 . . . 1.0 . . . . . . . . . . . . A . 7 ILE HB . . . . . . . . . rr_2mce 1
. 17 . 5153 . 1 1 7 ILE HD11 H -5.456 9.314 0.789 . . . 1.0 . . . . . . . . . . . . A . 7 ILE HD11 . . . . . . . . . rr_2mce 1
. 17 . 5154 . 1 1 7 ILE HD12 H -6.893 8.990 -0.211 . . . 1.0 . . . . . . . . . . . . A . 7 ILE HD12 . . . . . . . . . rr_2mce 1
. 17 . 5155 . 1 1 7 ILE HD13 H -6.839 8.432 1.478 . . . 1.0 . . . . . . . . . . . . A . 7 ILE HD13 . . . . . . . . . rr_2mce 1
. 17 . 5156 . 1 1 7 ILE HG12 H -4.908 7.460 -0.672 . . . 1.0 . . . . . . . . . . . . A . 7 ILE HG12 . . . . . . . . . rr_2mce 1
. 17 . 5157 . 1 1 7 ILE HG13 H -6.409 6.635 -0.303 . . . 1.0 . . . . . . . . . . . . A . 7 ILE HG13 . . . . . . . . . rr_2mce 1
. 17 . 5158 . 1 1 7 ILE HG21 H -2.813 6.548 1.543 . . . 1.0 . . . . . . . . . . . . A . 7 ILE HG21 . . . . . . . . . rr_2mce 1
. 17 . 5159 . 1 1 7 ILE HG22 H -3.493 8.127 1.082 . . . 1.0 . . . . . . . . . . . . A . 7 ILE HG22 . . . . . . . . . rr_2mce 1
. 17 . 5160 . 1 1 7 ILE HG23 H -3.696 7.521 2.744 . . . 1.0 . . . . . . . . . . . . A . 7 ILE HG23 . . . . . . . . . rr_2mce 1
. 17 . 5161 . 1 1 7 ILE N N -5.979 4.424 0.643 . . . 1.0 . . . . . . . . . . . . A . 7 ILE N . . . . . . . . . rr_2mce 1
. 17 . 5162 . 1 1 7 ILE O O -2.796 4.392 2.220 . . . 1.0 . . . . . . . . . . . . A . 7 ILE O . . . . . . . . . rr_2mce 1
. 17 . 5163 . 1 1 8 SER C C -3.767 1.430 3.409 . . . 1.0 . . . . . . . . . . . . A . 8 SER C . . . . . . . . . rr_2mce 1
. 17 . 5164 . 1 1 8 SER CA C -4.276 2.776 3.929 . . . 1.0 . . . . . . . . . . . . A . 8 SER CA . . . . . . . . . rr_2mce 1
. 17 . 5165 . 1 1 8 SER CB C -5.331 2.560 5.017 . . . 1.0 . . . . . . . . . . . . A . 8 SER CB . . . . . . . . . rr_2mce 1
. 17 . 5166 . 1 1 8 SER H H -5.799 3.498 2.707 . . . 1.0 . . . . . . . . . . . . A . 8 SER H . . . . . . . . . rr_2mce 1
. 17 . 5167 . 1 1 8 SER HA H -3.453 3.365 4.335 . . . 1.0 . . . . . . . . . . . . A . 8 SER HA . . . . . . . . . rr_2mce 1
. 17 . 5168 . 1 1 8 SER HB2 H -5.969 3.442 5.083 . . . 1.0 . . . . . . . . . . . . A . 8 SER HB2 . . . . . . . . . rr_2mce 1
. 17 . 5169 . 1 1 8 SER HB3 H -5.972 1.723 4.739 . . . 1.0 . . . . . . . . . . . . A . 8 SER HB3 . . . . . . . . . rr_2mce 1
. 17 . 5170 . 1 1 8 SER HG H -3.770 2.097 6.181 . . . 1.0 . . . . . . . . . . . . A . 8 SER HG . . . . . . . . . rr_2mce 1
. 17 . 5171 . 1 1 8 SER N N -4.810 3.564 2.832 . . . 1.0 . . . . . . . . . . . . A . 8 SER N . . . . . . . . . rr_2mce 1
. 17 . 5172 . 1 1 8 SER O O -3.009 0.743 4.092 . . . 1.0 . . . . . . . . . . . . A . 8 SER O . . . . . . . . . rr_2mce 1
. 17 . 5173 . 1 1 8 SER OG O -4.742 2.305 6.289 . . . 1.0 . . . . . . . . . . . . A . 8 SER OG . . . . . . . . . rr_2mce 1
. 17 . 5174 . 1 1 9 HIS C C -2.428 0.009 0.937 . . . 1.0 . . . . . . . . . . . . A . 9 HIS C . . . . . . . . . rr_2mce 1
. 17 . 5175 . 1 1 9 HIS CA C -3.804 -0.156 1.585 . . . 1.0 . . . . . . . . . . . . A . 9 HIS CA . . . . . . . . . rr_2mce 1
. 17 . 5176 . 1 1 9 HIS CB C -4.868 -0.640 0.598 . . . 1.0 . . . . . . . . . . . . A . 9 HIS CB . . . . . . . . . rr_2mce 1
. 17 . 5177 . 1 1 9 HIS CD2 C -6.550 -1.277 2.495 . . . 1.0 . . . . . . . . . . . . A . 9 HIS CD2 . . . . . . . . . rr_2mce 1
. 17 . 5178 . 1 1 9 HIS CE1 C -7.667 -2.819 1.416 . . . 1.0 . . . . . . . . . . . . A . 9 HIS CE1 . . . . . . . . . rr_2mce 1
. 17 . 5179 . 1 1 9 HIS CG C -6.014 -1.383 1.246 . . . 1.0 . . . . . . . . . . . . A . 9 HIS CG . . . . . . . . . rr_2mce 1
. 17 . 5180 . 1 1 9 HIS H H -4.822 1.658 1.656 . . . 1.0 . . . . . . . . . . . . A . 9 HIS H . . . . . . . . . rr_2mce 1
. 17 . 5181 . 1 1 9 HIS HA H -3.732 -0.894 2.384 . . . 1.0 . . . . . . . . . . . . A . 9 HIS HA . . . . . . . . . rr_2mce 1
. 17 . 5182 . 1 1 9 HIS HB2 H -5.266 0.219 0.057 . . . 1.0 . . . . . . . . . . . . A . 9 HIS HB2 . . . . . . . . . rr_2mce 1
. 17 . 5183 . 1 1 9 HIS HB3 H -4.398 -1.292 -0.139 . . . 1.0 . . . . . . . . . . . . A . 9 HIS HB3 . . . . . . . . . rr_2mce 1
. 17 . 5184 . 1 1 9 HIS HD1 H -6.586 -2.674 -0.349 . . . 1.0 . . . . . . . . . . . . A . 9 HIS HD1 . . . . . . . . . rr_2mce 1
. 17 . 5185 . 1 1 9 HIS HD2 H -6.216 -0.596 3.277 . . . 1.0 . . . . . . . . . . . . A . 9 HIS HD2 . . . . . . . . . rr_2mce 1
. 17 . 5186 . 1 1 9 HIS HE1 H -8.397 -3.597 1.193 . . . 1.0 . . . . . . . . . . . . A . 9 HIS HE1 . . . . . . . . . rr_2mce 1
. 17 . 5187 . 1 1 9 HIS N N -4.205 1.094 2.205 . . . 1.0 . . . . . . . . . . . . A . 9 HIS N . . . . . . . . . rr_2mce 1
. 17 . 5188 . 1 1 9 HIS ND1 N -6.738 -2.362 0.590 . . . 1.0 . . . . . . . . . . . . A . 9 HIS ND1 . . . . . . . . . rr_2mce 1
. 17 . 5189 . 1 1 9 HIS NE2 N -7.549 -2.145 2.596 . . . 1.0 . . . . . . . . . . . . A . 9 HIS NE2 . . . . . . . . . rr_2mce 1
. 17 . 5190 . 1 1 9 HIS O O -1.780 -0.975 0.585 . . . 1.0 . . . . . . . . . . . . A . 9 HIS O . . . . . . . . . rr_2mce 1
. 17 . 5191 . 1 1 10 LYS C C 0.383 1.041 1.101 . . . 1.0 . . . . . . . . . . . . A . 10 LYS C . . . . . . . . . rr_2mce 1
. 17 . 5192 . 1 1 10 LYS CA C -0.735 1.571 0.200 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CA . . . . . . . . . rr_2mce 1
. 17 . 5193 . 1 1 10 LYS CB C -0.627 3.069 -0.097 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CB . . . . . . . . . rr_2mce 1
. 17 . 5194 . 1 1 10 LYS CD C 0.045 5.323 0.811 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CD . . . . . . . . . rr_2mce 1
. 17 . 5195 . 1 1 10 LYS CE C 1.276 5.964 1.456 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CE . . . . . . . . . rr_2mce 1
. 17 . 5196 . 1 1 10 LYS CG C 0.008 3.817 1.077 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CG . . . . . . . . . rr_2mce 1
. 17 . 5197 . 1 1 10 LYS H H -2.555 2.058 1.088 . . . 1.0 . . . . . . . . . . . . A . 10 LYS H . . . . . . . . . rr_2mce 1
. 17 . 5198 . 1 1 10 LYS HA H -0.685 1.049 -0.756 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HA . . . . . . . . . rr_2mce 1
. 17 . 5199 . 1 1 10 LYS HB2 H -0.030 3.222 -0.997 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HB2 . . . . . . . . . rr_2mce 1
. 17 . 5200 . 1 1 10 LYS HB3 H -1.618 3.475 -0.300 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HB3 . . . . . . . . . rr_2mce 1
. 17 . 5201 . 1 1 10 LYS HD2 H 0.055 5.507 -0.263 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HD2 . . . . . . . . . rr_2mce 1
. 17 . 5202 . 1 1 10 LYS HD3 H -0.859 5.788 1.205 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HD3 . . . . . . . . . rr_2mce 1
. 17 . 5203 . 1 1 10 LYS HE2 H 1.479 5.488 2.415 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HE2 . . . . . . . . . rr_2mce 1
. 17 . 5204 . 1 1 10 LYS HE3 H 2.150 5.799 0.827 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HE3 . . . . . . . . . rr_2mce 1
. 17 . 5205 . 1 1 10 LYS HG2 H -0.557 3.618 1.987 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HG2 . . . . . . . . . rr_2mce 1
. 17 . 5206 . 1 1 10 LYS HG3 H 1.020 3.448 1.243 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HG3 . . . . . . . . . rr_2mce 1
. 17 . 5207 . 1 1 10 LYS HZ1 H 1.923 7.897 1.889 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HZ1 . . . . . . . . . rr_2mce 1
. 17 . 5208 . 1 1 10 LYS HZ3 H 0.403 7.607 2.395 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HZ3 . . . . . . . . . rr_2mce 1
. 17 . 5209 . 1 1 10 LYS N N -2.022 1.264 0.799 . . . 1.0 . . . . . . . . . . . . A . 10 LYS N . . . . . . . . . rr_2mce 1
. 17 . 5210 . 1 1 10 LYS NZ N 1.064 7.415 1.650 . . . 1.0 . . . . . . . . . . . . A . 10 LYS NZ . . . . . . . . . rr_2mce 1
. 17 . 5211 . 1 1 10 LYS O O 1.516 0.869 0.654 . . . 1.0 . . . . . . . . . . . . A . 10 LYS O . . . . . . . . . rr_2mce 1
. 17 . 5212 . 1 1 11 ARG C C 1.440 -1.114 2.928 . . . 1.0 . . . . . . . . . . . . A . 11 ARG C . . . . . . . . . rr_2mce 1
. 17 . 5213 . 1 1 11 ARG CA C 0.982 0.292 3.321 . . . 1.0 . . . . . . . . . . . . A . 11 ARG CA . . . . . . . . . rr_2mce 1
. 17 . 5214 . 1 1 11 ARG CB C 0.376 0.250 4.726 . . . 1.0 . . . . . . . . . . . . A . 11 ARG CB . . . . . . . . . rr_2mce 1
. 17 . 5215 . 1 1 11 ARG CD C -0.486 2.413 5.694 . . . 1.0 . . . . . . . . . . . . A . 11 ARG CD . . . . . . . . . rr_2mce 1
. 17 . 5216 . 1 1 11 ARG CG C 0.736 1.510 5.515 . . . 1.0 . . . . . . . . . . . . A . 11 ARG CG . . . . . . . . . rr_2mce 1
. 17 . 5217 . 1 1 11 ARG CZ C -1.541 1.692 7.843 . . . 1.0 . . . . . . . . . . . . A . 11 ARG CZ . . . . . . . . . rr_2mce 1
. 17 . 5218 . 1 1 11 ARG H H -0.900 0.942 2.708 . . . 1.0 . . . . . . . . . . . . A . 11 ARG H . . . . . . . . . rr_2mce 1
. 17 . 5219 . 1 1 11 ARG HA H 1.812 0.998 3.287 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HA . . . . . . . . . rr_2mce 1
. 17 . 5220 . 1 1 11 ARG HB2 H -0.707 0.158 4.656 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HB2 . . . . . . . . . rr_2mce 1
. 17 . 5221 . 1 1 11 ARG HB3 H 0.737 -0.631 5.255 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HB3 . . . . . . . . . rr_2mce 1
. 17 . 5222 . 1 1 11 ARG HD2 H -0.294 3.390 5.249 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HD2 . . . . . . . . . rr_2mce 1
. 17 . 5223 . 1 1 11 ARG HD3 H -1.342 1.987 5.172 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HD3 . . . . . . . . . rr_2mce 1
. 17 . 5224 . 1 1 11 ARG HE H -0.431 3.366 7.609 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HE . . . . . . . . . rr_2mce 1
. 17 . 5225 . 1 1 11 ARG HG2 H 1.133 1.231 6.491 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HG2 . . . . . . . . . rr_2mce 1
. 17 . 5226 . 1 1 11 ARG HG3 H 1.524 2.056 4.996 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HG3 . . . . . . . . . rr_2mce 1
. 17 . 5227 . 1 1 11 ARG HH11 H -1.893 0.424 6.281 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HH11 . . . . . . . . . rr_2mce 1
. 17 . 5228 . 1 1 11 ARG HH12 H -2.610 -0.047 7.785 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HH12 . . . . . . . . . rr_2mce 1
. 17 . 5229 . 1 1 11 ARG HH22 H -2.295 1.332 9.719 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HH22 . . . . . . . . . rr_2mce 1
. 17 . 5230 . 1 1 11 ARG N N 0.023 0.799 2.353 . . . 1.0 . . . . . . . . . . . . A . 11 ARG N . . . . . . . . . rr_2mce 1
. 17 . 5231 . 1 1 11 ARG NE N -0.796 2.566 7.133 . . . 1.0 . . . . . . . . . . . . A . 11 ARG NE . . . . . . . . . rr_2mce 1
. 17 . 5232 . 1 1 11 ARG NH1 N -2.060 0.595 7.252 . . . 1.0 . . . . . . . . . . . . A . 11 ARG NH1 . . . . . . . . . rr_2mce 1
. 17 . 5233 . 1 1 11 ARG NH2 N -1.756 1.928 9.124 . . . 1.0 . . . . . . . . . . . . A . 11 ARG NH2 . . . . . . . . . rr_2mce 1
. 17 . 5234 . 1 1 11 ARG O O 2.487 -1.578 3.377 . . . 1.0 . . . . . . . . . . . . A . 11 ARG O . . . . . . . . . rr_2mce 1
. 17 . 5235 . 1 1 12 HIS C C 1.885 -3.026 0.434 . . . 1.0 . . . . . . . . . . . . A . 12 HIS C . . . . . . . . . rr_2mce 1
. 17 . 5236 . 1 1 12 HIS CA C 0.942 -3.098 1.636 . . . 1.0 . . . . . . . . . . . . A . 12 HIS CA . . . . . . . . . rr_2mce 1
. 17 . 5237 . 1 1 12 HIS CB C -0.340 -3.878 1.339 . . . 1.0 . . . . . . . . . . . . A . 12 HIS CB . . . . . . . . . rr_2mce 1
. 17 . 5238 . 1 1 12 HIS CD2 C -1.079 -5.113 3.521 . . . 1.0 . . . . . . . . . . . . A . 12 HIS CD2 . . . . . . . . . rr_2mce 1
. 17 . 5239 . 1 1 12 HIS CE1 C -2.823 -3.883 4.000 . . . 1.0 . . . . . . . . . . . . A . 12 HIS CE1 . . . . . . . . . rr_2mce 1
. 17 . 5240 . 1 1 12 HIS CG C -1.189 -4.154 2.557 . . . 1.0 . . . . . . . . . . . . A . 12 HIS CG . . . . . . . . . rr_2mce 1
. 17 . 5241 . 1 1 12 HIS H H -0.217 -1.370 1.734 . . . 1.0 . . . . . . . . . . . . A . 12 HIS H . . . . . . . . . rr_2mce 1
. 17 . 5242 . 1 1 12 HIS HA H 1.452 -3.598 2.459 . . . 1.0 . . . . . . . . . . . . A . 12 HIS HA . . . . . . . . . rr_2mce 1
. 17 . 5243 . 1 1 12 HIS HB2 H -0.934 -3.320 0.615 . . . 1.0 . . . . . . . . . . . . A . 12 HIS HB2 . . . . . . . . . rr_2mce 1
. 17 . 5244 . 1 1 12 HIS HB3 H -0.076 -4.826 0.871 . . . 1.0 . . . . . . . . . . . . A . 12 HIS HB3 . . . . . . . . . rr_2mce 1
. 17 . 5245 . 1 1 12 HIS HD1 H -2.644 -2.611 2.371 . . . 1.0 . . . . . . . . . . . . A . 12 HIS HD1 . . . . . . . . . rr_2mce 1
. 17 . 5246 . 1 1 12 HIS HD2 H -0.311 -5.885 3.567 . . . 1.0 . . . . . . . . . . . . A . 12 HIS HD2 . . . . . . . . . rr_2mce 1
. 17 . 5247 . 1 1 12 HIS HE1 H -3.706 -3.502 4.513 . . . 1.0 . . . . . . . . . . . . A . 12 HIS HE1 . . . . . . . . . rr_2mce 1
. 17 . 5248 . 1 1 12 HIS N N 0.632 -1.754 2.095 . . . 1.0 . . . . . . . . . . . . A . 12 HIS N . . . . . . . . . rr_2mce 1
. 17 . 5249 . 1 1 12 HIS ND1 N -2.298 -3.395 2.887 . . . 1.0 . . . . . . . . . . . . A . 12 HIS ND1 . . . . . . . . . rr_2mce 1
. 17 . 5250 . 1 1 12 HIS NE2 N -2.067 -4.948 4.392 . . . 1.0 . . . . . . . . . . . . A . 12 HIS NE2 . . . . . . . . . rr_2mce 1
. 17 . 5251 . 1 1 12 HIS O O 2.604 -3.981 0.147 . . . 1.0 . . . . . . . . . . . . A . 12 HIS O . . . . . . . . . rr_2mce 1
. 17 . 5252 . 1 1 13 LYS C C 4.150 -1.528 -0.952 . . . 1.0 . . . . . . . . . . . . A . 13 LYS C . . . . . . . . . rr_2mce 1
. 17 . 5253 . 1 1 13 LYS CA C 2.694 -1.674 -1.401 . . . 1.0 . . . . . . . . . . . . A . 13 LYS CA . . . . . . . . . rr_2mce 1
. 17 . 5254 . 1 1 13 LYS CB C 2.184 -0.492 -2.226 . . . 1.0 . . . . . . . . . . . . A . 13 LYS CB . . . . . . . . . rr_2mce 1
. 17 . 5255 . 1 1 13 LYS CD C 0.003 -0.250 -3.470 . . . 1.0 . . . . . . . . . . . . A . 13 LYS CD . . . . . . . . . rr_2mce 1
. 17 . 5256 . 1 1 13 LYS CE C -1.042 -1.093 -4.203 . . . 1.0 . . . . . . . . . . . . A . 13 LYS CE . . . . . . . . . rr_2mce 1
. 17 . 5257 . 1 1 13 LYS CG C 1.351 -0.972 -3.416 . . . 1.0 . . . . . . . . . . . . A . 13 LYS CG . . . . . . . . . rr_2mce 1
. 17 . 5258 . 1 1 13 LYS H H 1.263 -1.111 0.004 . . . 1.0 . . . . . . . . . . . . A . 13 LYS H . . . . . . . . . rr_2mce 1
. 17 . 5259 . 1 1 13 LYS HA H 2.614 -2.563 -2.026 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HA . . . . . . . . . rr_2mce 1
. 17 . 5260 . 1 1 13 LYS HB2 H 1.581 0.163 -1.598 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HB2 . . . . . . . . . rr_2mce 1
. 17 . 5261 . 1 1 13 LYS HB3 H 3.028 0.098 -2.583 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HB3 . . . . . . . . . rr_2mce 1
. 17 . 5262 . 1 1 13 LYS HD2 H -0.340 -0.038 -2.458 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HD2 . . . . . . . . . rr_2mce 1
. 17 . 5263 . 1 1 13 LYS HD3 H 0.121 0.709 -3.974 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HD3 . . . . . . . . . rr_2mce 1
. 17 . 5264 . 1 1 13 LYS HE2 H -0.945 -2.139 -3.910 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HE2 . . . . . . . . . rr_2mce 1
. 17 . 5265 . 1 1 13 LYS HE3 H -2.043 -0.773 -3.916 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HE3 . . . . . . . . . rr_2mce 1
. 17 . 5266 . 1 1 13 LYS HG2 H 1.898 -0.798 -4.342 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HG2 . . . . . . . . . rr_2mce 1
. 17 . 5267 . 1 1 13 LYS HG3 H 1.188 -2.048 -3.341 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HG3 . . . . . . . . . rr_2mce 1
. 17 . 5268 . 1 1 13 LYS HZ1 H -0.876 -1.868 -6.131 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HZ1 . . . . . . . . . rr_2mce 1
. 17 . 5269 . 1 1 13 LYS HZ3 H -0.002 -0.511 -5.914 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HZ3 . . . . . . . . . rr_2mce 1
. 17 . 5270 . 1 1 13 LYS N N 1.851 -1.884 -0.236 . . . 1.0 . . . . . . . . . . . . A . 13 LYS N . . . . . . . . . rr_2mce 1
. 17 . 5271 . 1 1 13 LYS NZ N -0.875 -0.966 -5.668 . . . 1.0 . . . . . . . . . . . . A . 13 LYS NZ . . . . . . . . . rr_2mce 1
. 17 . 5272 . 1 1 13 LYS O O 5.071 -1.771 -1.730 . . . 1.0 . . . . . . . . . . . . A . 13 LYS O . . . . . . . . . rr_2mce 1
. 17 . 5273 . 1 1 14 THR C C 6.282 -2.307 1.163 . . . 1.0 . . . . . . . . . . . . A . 14 THR C . . . . . . . . . rr_2mce 1
. 17 . 5274 . 1 1 14 THR CA C 5.640 -0.952 0.864 . . . 1.0 . . . . . . . . . . . . A . 14 THR CA . . . . . . . . . rr_2mce 1
. 17 . 5275 . 1 1 14 THR CB C 5.514 -0.054 2.097 . . . 1.0 . . . . . . . . . . . . A . 14 THR CB . . . . . . . . . rr_2mce 1
. 17 . 5276 . 1 1 14 THR CG2 C 6.855 0.171 2.797 . . . 1.0 . . . . . . . . . . . . A . 14 THR CG2 . . . . . . . . . rr_2mce 1
. 17 . 5277 . 1 1 14 THR H H 3.557 -0.938 0.929 . . . 1.0 . . . . . . . . . . . . A . 14 THR H . . . . . . . . . rr_2mce 1
. 17 . 5278 . 1 1 14 THR HA H 6.264 -0.460 0.119 . . . 1.0 . . . . . . . . . . . . A . 14 THR HA . . . . . . . . . rr_2mce 1
. 17 . 5279 . 1 1 14 THR HB H 4.772 -0.449 2.792 . . . 1.0 . . . . . . . . . . . . A . 14 THR HB . . . . . . . . . rr_2mce 1
. 17 . 5280 . 1 1 14 THR HG1 H 5.882 1.515 0.911 . . . 1.0 . . . . . . . . . . . . A . 14 THR HG1 . . . . . . . . . rr_2mce 1
. 17 . 5281 . 1 1 14 THR HG21 H 7.325 -0.791 2.999 . . . 1.0 . . . . . . . . . . . . A . 14 THR HG21 . . . . . . . . . rr_2mce 1
. 17 . 5282 . 1 1 14 THR HG22 H 7.504 0.766 2.156 . . . 1.0 . . . . . . . . . . . . A . 14 THR HG22 . . . . . . . . . rr_2mce 1
. 17 . 5283 . 1 1 14 THR HG23 H 6.690 0.698 3.737 . . . 1.0 . . . . . . . . . . . . A . 14 THR HG23 . . . . . . . . . rr_2mce 1
. 17 . 5284 . 1 1 14 THR N N 4.312 -1.133 0.302 . . . 1.0 . . . . . . . . . . . . A . 14 THR N . . . . . . . . . rr_2mce 1
. 17 . 5285 . 1 1 14 THR O O 7.506 -2.420 1.221 . . . 1.0 . . . . . . . . . . . . A . 14 THR O . . . . . . . . . rr_2mce 1
. 17 . 5286 . 1 1 14 THR OG1 O 5.181 1.225 1.562 . . . 1.0 . . . . . . . . . . . . A . 14 THR OG1 . . . . . . . . . rr_2mce 1
. 17 . 5287 . 1 1 15 ASP C C 6.452 -5.278 0.358 . . . 1.0 . . . . . . . . . . . . A . 15 ASP C . . . . . . . . . rr_2mce 1
. 17 . 5288 . 1 1 15 ASP CA C 5.896 -4.648 1.636 . . . 1.0 . . . . . . . . . . . . A . 15 ASP CA . . . . . . . . . rr_2mce 1
. 17 . 5289 . 1 1 15 ASP CB C 4.754 -5.532 2.142 . . . 1.0 . . . . . . . . . . . . A . 15 ASP CB . . . . . . . . . rr_2mce 1
. 17 . 5290 . 1 1 15 ASP CG C 4.380 -5.327 3.612 . . . 1.0 . . . . . . . . . . . . A . 15 ASP CG . . . . . . . . . rr_2mce 1
. 17 . 5291 . 1 1 15 ASP H H 4.433 -3.204 1.295 . . . 1.0 . . . . . . . . . . . . A . 15 ASP H . . . . . . . . . rr_2mce 1
. 17 . 5292 . 1 1 15 ASP HA H 6.658 -4.525 2.406 . . . 1.0 . . . . . . . . . . . . A . 15 ASP HA . . . . . . . . . rr_2mce 1
. 17 . 5293 . 1 1 15 ASP HB2 H 3.872 -5.347 1.529 . . . 1.0 . . . . . . . . . . . . A . 15 ASP HB2 . . . . . . . . . rr_2mce 1
. 17 . 5294 . 1 1 15 ASP HB3 H 5.031 -6.576 1.995 . . . 1.0 . . . . . . . . . . . . A . 15 ASP HB3 . . . . . . . . . rr_2mce 1
. 17 . 5295 . 1 1 15 ASP HD2 H 3.680 -7.075 3.676 . . . 1.0 . . . . . . . . . . . . A . 15 ASP HD2 . . . . . . . . . rr_2mce 1
. 17 . 5296 . 1 1 15 ASP N N 5.428 -3.304 1.345 . . . 1.0 . . . . . . . . . . . . A . 15 ASP N . . . . . . . . . rr_2mce 1
. 17 . 5297 . 1 1 15 ASP O O 7.330 -6.138 0.417 . . . 1.0 . . . . . . . . . . . . A . 15 ASP O . . . . . . . . . rr_2mce 1
. 17 . 5298 . 1 1 15 ASP OD1 O 4.879 -4.407 4.276 . . . 1.0 . . . . . . . . . . . . A . 15 ASP OD1 . . . . . . . . . rr_2mce 1
. 17 . 5299 . 1 1 15 ASP OD2 O 3.525 -6.173 4.079 . . . 1.0 . . . . . . . . . . . . A . 15 ASP OD2 . . . . . . . . . rr_2mce 1
. 17 . 5300 . 1 1 16 SER C C 7.717 -4.756 -2.418 . . . 1.0 . . . . . . . . . . . . A . 16 SER C . . . . . . . . . rr_2mce 1
. 17 . 5301 . 1 1 16 SER CA C 6.348 -5.336 -2.057 . . . 1.0 . . . . . . . . . . . . A . 16 SER CA . . . . . . . . . rr_2mce 1
. 17 . 5302 . 1 1 16 SER CB C 5.328 -5.007 -3.148 . . . 1.0 . . . . . . . . . . . . A . 16 SER CB . . . . . . . . . rr_2mce 1
. 17 . 5303 . 1 1 16 SER H H 5.203 -4.128 -0.805 . . . 1.0 . . . . . . . . . . . . A . 16 SER H . . . . . . . . . rr_2mce 1
. 17 . 5304 . 1 1 16 SER HA H 6.411 -6.417 -1.935 . . . 1.0 . . . . . . . . . . . . A . 16 SER HA . . . . . . . . . rr_2mce 1
. 17 . 5305 . 1 1 16 SER HB2 H 4.320 -5.125 -2.750 . . . 1.0 . . . . . . . . . . . . A . 16 SER HB2 . . . . . . . . . rr_2mce 1
. 17 . 5306 . 1 1 16 SER HB3 H 5.435 -3.962 -3.442 . . . 1.0 . . . . . . . . . . . . A . 16 SER HB3 . . . . . . . . . rr_2mce 1
. 17 . 5307 . 1 1 16 SER HG H 5.288 -6.789 -4.057 . . . 1.0 . . . . . . . . . . . . A . 16 SER HG . . . . . . . . . rr_2mce 1
. 17 . 5308 . 1 1 16 SER N N 5.917 -4.827 -0.767 . . . 1.0 . . . . . . . . . . . . A . 16 SER N . . . . . . . . . rr_2mce 1
. 17 . 5309 . 1 1 16 SER O O 8.444 -5.328 -3.229 . . . 1.0 . . . . . . . . . . . . A . 16 SER O . . . . . . . . . rr_2mce 1
. 17 . 5310 . 1 1 16 SER OG O 5.485 -5.839 -4.295 . . . 1.0 . . . . . . . . . . . . A . 16 SER OG . . . . . . . . . rr_2mce 1
. 17 . 5311 . 1 1 17 PHE C C 10.444 -3.698 -1.348 . . . 1.0 . . . . . . . . . . . . A . 17 PHE C . . . . . . . . . rr_2mce 1
. 17 . 5312 . 1 1 17 PHE CA C 9.296 -2.963 -2.043 . . . 1.0 . . . . . . . . . . . . A . 17 PHE CA . . . . . . . . . rr_2mce 1
. 17 . 5313 . 1 1 17 PHE CB C 9.183 -1.553 -1.460 . . . 1.0 . . . . . . . . . . . . A . 17 PHE CB . . . . . . . . . rr_2mce 1
. 17 . 5314 . 1 1 17 PHE CD1 C 7.588 -0.603 -3.141 . . . 1.0 . . . . . . . . . . . . A . 17 PHE CD1 . . . . . . . . . rr_2mce 1
. 17 . 5315 . 1 1 17 PHE CD2 C 9.588 0.570 -2.726 . . . 1.0 . . . . . . . . . . . . A . 17 PHE CD2 . . . . . . . . . rr_2mce 1
. 17 . 5316 . 1 1 17 PHE CE1 C 7.206 0.385 -4.086 . . . 1.0 . . . . . . . . . . . . A . 17 PHE CE1 . . . . . . . . . rr_2mce 1
. 17 . 5317 . 1 1 17 PHE CE2 C 9.206 1.557 -3.672 . . . 1.0 . . . . . . . . . . . . A . 17 PHE CE2 . . . . . . . . . rr_2mce 1
. 17 . 5318 . 1 1 17 PHE CG C 8.771 -0.488 -2.480 . . . 1.0 . . . . . . . . . . . . A . 17 PHE CG . . . . . . . . . rr_2mce 1
. 17 . 5319 . 1 1 17 PHE CZ C 8.023 1.444 -4.332 . . . 1.0 . . . . . . . . . . . . A . 17 PHE CZ . . . . . . . . . rr_2mce 1
. 17 . 5320 . 1 1 17 PHE H H 7.431 -3.168 -1.140 . . . 1.0 . . . . . . . . . . . . A . 17 PHE H . . . . . . . . . rr_2mce 1
. 17 . 5321 . 1 1 17 PHE HA H 9.462 -2.970 -3.121 . . . 1.0 . . . . . . . . . . . . A . 17 PHE HA . . . . . . . . . rr_2mce 1
. 17 . 5322 . 1 1 17 PHE HB2 H 8.457 -1.564 -0.648 . . . 1.0 . . . . . . . . . . . . A . 17 PHE HB2 . . . . . . . . . rr_2mce 1
. 17 . 5323 . 1 1 17 PHE HB3 H 10.143 -1.272 -1.025 . . . 1.0 . . . . . . . . . . . . A . 17 PHE HB3 . . . . . . . . . rr_2mce 1
. 17 . 5324 . 1 1 17 PHE HD1 H 6.933 -1.451 -2.943 . . . 1.0 . . . . . . . . . . . . A . 17 PHE HD1 . . . . . . . . . rr_2mce 1
. 17 . 5325 . 1 1 17 PHE HD2 H 10.537 0.660 -2.196 . . . 1.0 . . . . . . . . . . . . A . 17 PHE HD2 . . . . . . . . . rr_2mce 1
. 17 . 5326 . 1 1 17 PHE HE1 H 6.257 0.294 -4.615 . . . 1.0 . . . . . . . . . . . . A . 17 PHE HE1 . . . . . . . . . rr_2mce 1
. 17 . 5327 . 1 1 17 PHE HE2 H 9.861 2.406 -3.869 . . . 1.0 . . . . . . . . . . . . A . 17 PHE HE2 . . . . . . . . . rr_2mce 1
. 17 . 5328 . 1 1 17 PHE HZ H 7.730 2.202 -5.059 . . . 1.0 . . . . . . . . . . . . A . 17 PHE HZ . . . . . . . . . rr_2mce 1
. 17 . 5329 . 1 1 17 PHE N N 8.028 -3.626 -1.797 . . . 1.0 . . . . . . . . . . . . A . 17 PHE N . . . . . . . . . rr_2mce 1
. 17 . 5330 . 1 1 17 PHE O O 11.600 -3.571 -1.748 . . . 1.0 . . . . . . . . . . . . A . 17 PHE O . . . . . . . . . rr_2mce 1
. 17 . 5331 . 1 1 18 VAL C C 11.626 -6.332 -0.444 . . . 1.0 . . . . . . . . . . . . A . 18 VAL C . . . . . . . . . rr_2mce 1
. 17 . 5332 . 1 1 18 VAL CA C 11.069 -5.209 0.434 . . . 1.0 . . . . . . . . . . . . A . 18 VAL CA . . . . . . . . . rr_2mce 1
. 17 . 5333 . 1 1 18 VAL CB C 10.452 -5.720 1.737 . . . 1.0 . . . . . . . . . . . . A . 18 VAL CB . . . . . . . . . rr_2mce 1
. 17 . 5334 . 1 1 18 VAL CG1 C 11.536 -6.166 2.719 . . . 1.0 . . . . . . . . . . . . A . 18 VAL CG1 . . . . . . . . . rr_2mce 1
. 17 . 5335 . 1 1 18 VAL CG2 C 9.544 -4.660 2.365 . . . 1.0 . . . . . . . . . . . . A . 18 VAL CG2 . . . . . . . . . rr_2mce 1
. 17 . 5336 . 1 1 18 VAL H H 9.142 -4.552 -0.002 . . . 1.0 . . . . . . . . . . . . A . 18 VAL H . . . . . . . . . rr_2mce 1
. 17 . 5337 . 1 1 18 VAL HA H 11.882 -4.528 0.689 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HA . . . . . . . . . rr_2mce 1
. 17 . 5338 . 1 1 18 VAL HB H 9.838 -6.589 1.499 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HB . . . . . . . . . rr_2mce 1
. 17 . 5339 . 1 1 18 VAL HG11 H 11.590 -7.255 2.732 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HG11 . . . . . . . . . rr_2mce 1
. 17 . 5340 . 1 1 18 VAL HG12 H 12.498 -5.758 2.409 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HG12 . . . . . . . . . rr_2mce 1
. 17 . 5341 . 1 1 18 VAL HG13 H 11.293 -5.802 3.718 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HG13 . . . . . . . . . rr_2mce 1
. 17 . 5342 . 1 1 18 VAL HG21 H 9.403 -4.884 3.422 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HG21 . . . . . . . . . rr_2mce 1
. 17 . 5343 . 1 1 18 VAL HG22 H 10.005 -3.679 2.259 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HG22 . . . . . . . . . rr_2mce 1
. 17 . 5344 . 1 1 18 VAL HG23 H 8.578 -4.665 1.861 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HG23 . . . . . . . . . rr_2mce 1
. 17 . 5345 . 1 1 18 VAL N N 10.084 -4.453 -0.321 . . . 1.0 . . . . . . . . . . . . A . 18 VAL N . . . . . . . . . rr_2mce 1
. 17 . 5346 . 1 1 18 VAL O O 12.778 -6.733 -0.290 . . . 1.0 . . . . . . . . . . . . A . 18 VAL O . . . . . . . . . rr_2mce 1
. 17 . 5347 . 1 1 19 GLY C C 11.912 -7.321 -3.468 . . . 1.0 . . . . . . . . . . . . A . 19 GLY C . . . . . . . . . rr_2mce 1
. 17 . 5348 . 1 1 19 GLY CA C 11.172 -7.877 -2.250 . . . 1.0 . . . . . . . . . . . . A . 19 GLY CA . . . . . . . . . rr_2mce 1
. 17 . 5349 . 1 1 19 GLY H H 9.844 -6.477 -1.465 . . . 1.0 . . . . . . . . . . . . A . 19 GLY H . . . . . . . . . rr_2mce 1
. 17 . 5350 . 1 1 19 GLY HA2 H 11.811 -8.586 -1.724 . . . 1.0 . . . . . . . . . . . . A . 19 GLY HA2 . . . . . . . . . rr_2mce 1
. 17 . 5351 . 1 1 19 GLY HA3 H 10.288 -8.426 -2.575 . . . 1.0 . . . . . . . . . . . . A . 19 GLY HA3 . . . . . . . . . rr_2mce 1
. 17 . 5352 . 1 1 19 GLY N N 10.780 -6.808 -1.346 . . . 1.0 . . . . . . . . . . . . A . 19 GLY N . . . . . . . . . rr_2mce 1
. 17 . 5353 . 1 1 19 GLY O O 12.351 -8.080 -4.331 . . . 1.0 . . . . . . . . . . . . A . 19 GLY O . . . . . . . . . rr_2mce 1
. 17 . 5354 . 1 1 20 LEU C C 14.192 -5.195 -4.264 . . . 1.0 . . . . . . . . . . . . A . 20 LEU C . . . . . . . . . rr_2mce 1
. 17 . 5355 . 1 1 20 LEU CA C 12.705 -5.336 -4.599 . . . 1.0 . . . . . . . . . . . . A . 20 LEU CA . . . . . . . . . rr_2mce 1
. 17 . 5356 . 1 1 20 LEU CB C 12.020 -4.008 -4.926 . . . 1.0 . . . . . . . . . . . . A . 20 LEU CB . . . . . . . . . rr_2mce 1
. 17 . 5357 . 1 1 20 LEU CD1 C 12.534 -3.940 -7.393 . . . 1.0 . . . . . . . . . . . . A . 20 LEU CD1 . . . . . . . . . rr_2mce 1
. 17 . 5358 . 1 1 20 LEU CD2 C 10.353 -4.942 -6.571 . . . 1.0 . . . . . . . . . . . . A . 20 LEU CD2 . . . . . . . . . rr_2mce 1
. 17 . 5359 . 1 1 20 LEU CG C 11.433 -3.884 -6.333 . . . 1.0 . . . . . . . . . . . . A . 20 LEU CG . . . . . . . . . rr_2mce 1
. 17 . 5360 . 1 1 20 LEU H H 11.666 -5.393 -2.794 . . . 1.0 . . . . . . . . . . . . A . 20 LEU H . . . . . . . . . rr_2mce 1
. 17 . 5361 . 1 1 20 LEU HA H 12.608 -5.974 -5.477 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HA . . . . . . . . . rr_2mce 1
. 17 . 5362 . 1 1 20 LEU HB2 H 11.219 -3.848 -4.204 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HB2 . . . . . . . . . rr_2mce 1
. 17 . 5363 . 1 1 20 LEU HB3 H 12.742 -3.204 -4.783 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HB3 . . . . . . . . . rr_2mce 1
. 17 . 5364 . 1 1 20 LEU HD11 H 12.341 -4.770 -8.074 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HD11 . . . . . . . . . rr_2mce 1
. 17 . 5365 . 1 1 20 LEU HD12 H 12.546 -3.006 -7.954 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HD12 . . . . . . . . . rr_2mce 1
. 17 . 5366 . 1 1 20 LEU HD13 H 13.499 -4.085 -6.908 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HD13 . . . . . . . . . rr_2mce 1
. 17 . 5367 . 1 1 20 LEU HD21 H 9.690 -4.612 -7.371 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HD21 . . . . . . . . . rr_2mce 1
. 17 . 5368 . 1 1 20 LEU HD22 H 10.823 -5.884 -6.855 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HD22 . . . . . . . . . rr_2mce 1
. 17 . 5369 . 1 1 20 LEU HD23 H 9.777 -5.085 -5.657 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HD23 . . . . . . . . . rr_2mce 1
. 17 . 5370 . 1 1 20 LEU HG H 10.953 -2.910 -6.419 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HG . . . . . . . . . rr_2mce 1
. 17 . 5371 . 1 1 20 LEU N N 12.026 -6.002 -3.500 . . . 1.0 . . . . . . . . . . . . A . 20 LEU N . . . . . . . . . rr_2mce 1
. 17 . 5372 . 1 1 20 LEU O O 15.025 -5.076 -5.160 . . . 1.0 . . . . . . . . . . . . A . 20 LEU O . . . . . . . . . rr_2mce 1
. 17 . 5373 . 1 1 21 MET C C 16.539 -6.455 -2.460 . . . 1.0 . . . . . . . . . . . . A . 21 MET C . . . . . . . . . rr_2mce 1
. 17 . 5374 . 1 1 21 MET CA C 15.849 -5.089 -2.506 . . . 1.0 . . . . . . . . . . . . A . 21 MET CA . . . . . . . . . rr_2mce 1
. 17 . 5375 . 1 1 21 MET CB C 15.861 -4.465 -1.110 . . . 1.0 . . . . . . . . . . . . A . 21 MET CB . . . . . . . . . rr_2mce 1
. 17 . 5376 . 1 1 21 MET CE C 15.651 -0.490 -0.365 . . . 1.0 . . . . . . . . . . . . A . 21 MET CE . . . . . . . . . rr_2mce 1
. 17 . 5377 . 1 1 21 MET CG C 16.341 -3.013 -1.162 . . . 1.0 . . . . . . . . . . . . A . 21 MET CG . . . . . . . . . rr_2mce 1
. 17 . 5378 . 1 1 21 MET H H 13.795 -5.312 -2.247 . . . 1.0 . . . . . . . . . . . . A . 21 MET H . . . . . . . . . rr_2mce 1
. 17 . 5379 . 1 1 21 MET HA H 16.347 -4.447 -3.233 . . . 1.0 . . . . . . . . . . . . A . 21 MET HA . . . . . . . . . rr_2mce 1
. 17 . 5380 . 1 1 21 MET HB2 H 14.859 -4.505 -0.681 . . . 1.0 . . . . . . . . . . . . A . 21 MET HB2 . . . . . . . . . rr_2mce 1
. 17 . 5381 . 1 1 21 MET HB3 H 16.512 -5.043 -0.454 . . . 1.0 . . . . . . . . . . . . A . 21 MET HB3 . . . . . . . . . rr_2mce 1
. 17 . 5382 . 1 1 21 MET HE1 H 16.676 -0.350 -0.704 . . . 1.0 . . . . . . . . . . . . A . 21 MET HE1 . . . . . . . . . rr_2mce 1
. 17 . 5383 . 1 1 21 MET HE2 H 15.065 0.398 -0.603 . . . 1.0 . . . . . . . . . . . . A . 21 MET HE2 . . . . . . . . . rr_2mce 1
. 17 . 5384 . 1 1 21 MET HE3 H 15.642 -0.652 0.713 . . . 1.0 . . . . . . . . . . . . A . 21 MET HE3 . . . . . . . . . rr_2mce 1
. 17 . 5385 . 1 1 21 MET HG2 H 16.970 -2.798 -0.299 . . . 1.0 . . . . . . . . . . . . A . 21 MET HG2 . . . . . . . . . rr_2mce 1
. 17 . 5386 . 1 1 21 MET HG3 H 16.955 -2.856 -2.050 . . . 1.0 . . . . . . . . . . . . A . 21 MET HG3 . . . . . . . . . rr_2mce 1
. 17 . 5387 . 1 1 21 MET N N 14.479 -5.214 -2.970 . . . 1.0 . . . . . . . . . . . . A . 21 MET N . . . . . . . . . rr_2mce 1
. 17 . 5388 . 1 1 21 MET O O 16.482 -7.216 -3.425 . . . 1.0 . . . . . . . . . . . . A . 21 MET O . . . . . . . . . rr_2mce 1
. 17 . 5389 . 1 1 21 MET SD S 14.940 -1.907 -1.186 . . . 1.0 . . . . . . . . . . . . A . 21 MET SD . . . . . . . . . rr_2mce 1
. 18 . 5390 . 1 1 1 ASP C C -14.827 6.454 4.219 . . . 1.0 . . . . . . . . . . . . A . 1 ASP C . . . . . . . . . rr_2mce 1
. 18 . 5391 . 1 1 1 ASP CA C -15.793 7.629 4.048 . . . 1.0 . . . . . . . . . . . . A . 1 ASP CA . . . . . . . . . rr_2mce 1
. 18 . 5392 . 1 1 1 ASP CB C -17.029 7.353 4.908 . . . 1.0 . . . . . . . . . . . . A . 1 ASP CB . . . . . . . . . rr_2mce 1
. 18 . 5393 . 1 1 1 ASP CG C -17.472 8.519 5.794 . . . 1.0 . . . . . . . . . . . . A . 1 ASP CG . . . . . . . . . rr_2mce 1
. 18 . 5394 . 1 1 1 ASP H1 H -15.654 8.469 2.147 . . . 1.0 . . . . . . . . . . . . A . 1 ASP H1 . . . . . . . . . rr_2mce 1
. 18 . 5395 . 1 1 1 ASP HA H -15.340 8.584 4.317 . . . 1.0 . . . . . . . . . . . . A . 1 ASP HA . . . . . . . . . rr_2mce 1
. 18 . 5396 . 1 1 1 ASP HB2 H -17.855 7.081 4.252 . . . 1.0 . . . . . . . . . . . . A . 1 ASP HB2 . . . . . . . . . rr_2mce 1
. 18 . 5397 . 1 1 1 ASP HB3 H -16.827 6.490 5.542 . . . 1.0 . . . . . . . . . . . . A . 1 ASP HB3 . . . . . . . . . rr_2mce 1
. 18 . 5398 . 1 1 1 ASP HD2 H -17.583 7.533 7.395 . . . 1.0 . . . . . . . . . . . . A . 1 ASP HD2 . . . . . . . . . rr_2mce 1
. 18 . 5399 . 1 1 1 ASP N N -16.149 7.757 2.646 . . . 1.0 . . . . . . . . . . . . A . 1 ASP N . . . . . . . . . rr_2mce 1
. 18 . 5400 . 1 1 1 ASP O O -13.784 6.592 4.857 . . . 1.0 . . . . . . . . . . . . A . 1 ASP O . . . . . . . . . rr_2mce 1
. 18 . 5401 . 1 1 1 ASP OD1 O -18.053 9.502 5.313 . . . 1.0 . . . . . . . . . . . . A . 1 ASP OD1 . . . . . . . . . rr_2mce 1
. 18 . 5402 . 1 1 1 ASP OD2 O -17.195 8.387 7.048 . . . 1.0 . . . . . . . . . . . . A . 1 ASP OD2 . . . . . . . . . rr_2mce 1
. 18 . 5403 . 1 1 2 ALA C C -13.419 4.101 2.537 . . . 1.0 . . . . . . . . . . . . A . 2 ALA C . . . . . . . . . rr_2mce 1
. 18 . 5404 . 1 1 2 ALA CA C -14.389 4.129 3.718 . . . 1.0 . . . . . . . . . . . . A . 2 ALA CA . . . . . . . . . rr_2mce 1
. 18 . 5405 . 1 1 2 ALA CB C -15.292 2.895 3.762 . . . 1.0 . . . . . . . . . . . . A . 2 ALA CB . . . . . . . . . rr_2mce 1
. 18 . 5406 . 1 1 2 ALA H H -16.059 5.223 3.122 . . . 1.0 . . . . . . . . . . . . A . 2 ALA H . . . . . . . . . rr_2mce 1
. 18 . 5407 . 1 1 2 ALA HA H -13.818 4.179 4.646 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HA . . . . . . . . . rr_2mce 1
. 18 . 5408 . 1 1 2 ALA HB1 H -16.315 3.184 3.520 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HB1 . . . . . . . . . rr_2mce 1
. 18 . 5409 . 1 1 2 ALA HB2 H -14.940 2.162 3.035 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HB2 . . . . . . . . . rr_2mce 1
. 18 . 5410 . 1 1 2 ALA HB3 H -15.264 2.459 4.760 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HB3 . . . . . . . . . rr_2mce 1
. 18 . 5411 . 1 1 2 ALA N N -15.209 5.327 3.639 . . . 1.0 . . . . . . . . . . . . A . 2 ALA N . . . . . . . . . rr_2mce 1
. 18 . 5412 . 1 1 2 ALA O O -12.542 3.241 2.469 . . . 1.0 . . . . . . . . . . . . A . 2 ALA O . . . . . . . . . rr_2mce 1
. 18 . 5413 . 1 1 3 GLY C C -11.366 5.659 0.825 . . . 1.0 . . . . . . . . . . . . A . 3 GLY C . . . . . . . . . rr_2mce 1
. 18 . 5414 . 1 1 3 GLY CA C -12.760 5.146 0.457 . . . 1.0 . . . . . . . . . . . . A . 3 GLY CA . . . . . . . . . rr_2mce 1
. 18 . 5415 . 1 1 3 GLY H H -14.324 5.748 1.696 . . . 1.0 . . . . . . . . . . . . A . 3 GLY H . . . . . . . . . rr_2mce 1
. 18 . 5416 . 1 1 3 GLY HA2 H -12.678 4.168 -0.017 . . . 1.0 . . . . . . . . . . . . A . 3 GLY HA2 . . . . . . . . . rr_2mce 1
. 18 . 5417 . 1 1 3 GLY HA3 H -13.217 5.816 -0.272 . . . 1.0 . . . . . . . . . . . . A . 3 GLY HA3 . . . . . . . . . rr_2mce 1
. 18 . 5418 . 1 1 3 GLY N N -13.608 5.052 1.633 . . . 1.0 . . . . . . . . . . . . A . 3 GLY N . . . . . . . . . rr_2mce 1
. 18 . 5419 . 1 1 3 GLY O O -10.505 5.804 -0.041 . . . 1.0 . . . . . . . . . . . . A . 3 GLY O . . . . . . . . . rr_2mce 1
. 18 . 5420 . 1 1 4 HIS C C -8.843 5.331 2.434 . . . 1.0 . . . . . . . . . . . . A . 4 HIS C . . . . . . . . . rr_2mce 1
. 18 . 5421 . 1 1 4 HIS CA C -9.913 6.411 2.606 . . . 1.0 . . . . . . . . . . . . A . 4 HIS CA . . . . . . . . . rr_2mce 1
. 18 . 5422 . 1 1 4 HIS CB C -10.041 6.893 4.053 . . . 1.0 . . . . . . . . . . . . A . 4 HIS CB . . . . . . . . . rr_2mce 1
. 18 . 5423 . 1 1 4 HIS CD2 C -7.703 7.773 4.823 . . . 1.0 . . . . . . . . . . . . A . 4 HIS CD2 . . . . . . . . . rr_2mce 1
. 18 . 5424 . 1 1 4 HIS CE1 C -7.204 6.158 6.213 . . . 1.0 . . . . . . . . . . . . A . 4 HIS CE1 . . . . . . . . . rr_2mce 1
. 18 . 5425 . 1 1 4 HIS CG C -8.739 6.886 4.820 . . . 1.0 . . . . . . . . . . . . A . 4 HIS CG . . . . . . . . . rr_2mce 1
. 18 . 5426 . 1 1 4 HIS H H -11.892 5.797 2.810 . . . 1.0 . . . . . . . . . . . . A . 4 HIS H . . . . . . . . . rr_2mce 1
. 18 . 5427 . 1 1 4 HIS HA H -9.651 7.272 1.992 . . . 1.0 . . . . . . . . . . . . A . 4 HIS HA . . . . . . . . . rr_2mce 1
. 18 . 5428 . 1 1 4 HIS HB2 H -10.446 7.904 4.054 . . . 1.0 . . . . . . . . . . . . A . 4 HIS HB2 . . . . . . . . . rr_2mce 1
. 18 . 5429 . 1 1 4 HIS HB3 H -10.760 6.261 4.573 . . . 1.0 . . . . . . . . . . . . A . 4 HIS HB3 . . . . . . . . . rr_2mce 1
. 18 . 5430 . 1 1 4 HIS HD1 H -8.951 5.077 5.922 . . . 1.0 . . . . . . . . . . . . A . 4 HIS HD1 . . . . . . . . . rr_2mce 1
. 18 . 5431 . 1 1 4 HIS HD2 H -7.645 8.688 4.234 . . . 1.0 . . . . . . . . . . . . A . 4 HIS HD2 . . . . . . . . . rr_2mce 1
. 18 . 5432 . 1 1 4 HIS HE1 H -6.660 5.555 6.940 . . . 1.0 . . . . . . . . . . . . A . 4 HIS HE1 . . . . . . . . . rr_2mce 1
. 18 . 5433 . 1 1 4 HIS N N -11.187 5.918 2.112 . . . 1.0 . . . . . . . . . . . . A . 4 HIS N . . . . . . . . . rr_2mce 1
. 18 . 5434 . 1 1 4 HIS ND1 N -8.395 5.879 5.704 . . . 1.0 . . . . . . . . . . . . A . 4 HIS ND1 . . . . . . . . . rr_2mce 1
. 18 . 5435 . 1 1 4 HIS NE2 N -6.777 7.332 5.666 . . . 1.0 . . . . . . . . . . . . A . 4 HIS NE2 . . . . . . . . . rr_2mce 1
. 18 . 5436 . 1 1 4 HIS O O -7.653 5.601 2.589 . . . 1.0 . . . . . . . . . . . . A . 4 HIS O . . . . . . . . . rr_2mce 1
. 18 . 5437 . 1 1 5 GLY C C -7.870 2.978 0.483 . . . 1.0 . . . . . . . . . . . . A . 5 GLY C . . . . . . . . . rr_2mce 1
. 18 . 5438 . 1 1 5 GLY CA C -8.403 3.009 1.917 . . . 1.0 . . . . . . . . . . . . A . 5 GLY CA . . . . . . . . . rr_2mce 1
. 18 . 5439 . 1 1 5 GLY H H -10.275 3.921 1.988 . . . 1.0 . . . . . . . . . . . . A . 5 GLY H . . . . . . . . . rr_2mce 1
. 18 . 5440 . 1 1 5 GLY HA2 H -7.570 3.082 2.616 . . . 1.0 . . . . . . . . . . . . A . 5 GLY HA2 . . . . . . . . . rr_2mce 1
. 18 . 5441 . 1 1 5 GLY HA3 H -8.923 2.077 2.136 . . . 1.0 . . . . . . . . . . . . A . 5 GLY HA3 . . . . . . . . . rr_2mce 1
. 18 . 5442 . 1 1 5 GLY N N -9.305 4.131 2.113 . . . 1.0 . . . . . . . . . . . . A . 5 GLY N . . . . . . . . . rr_2mce 1
. 18 . 5443 . 1 1 5 GLY O O -6.844 2.357 0.211 . . . 1.0 . . . . . . . . . . . . A . 5 GLY O . . . . . . . . . rr_2mce 1
. 18 . 5444 . 1 1 6 GLN C C -6.768 4.225 -1.929 . . . 1.0 . . . . . . . . . . . . A . 6 GLN C . . . . . . . . . rr_2mce 1
. 18 . 5445 . 1 1 6 GLN CA C -8.205 3.715 -1.797 . . . 1.0 . . . . . . . . . . . . A . 6 GLN CA . . . . . . . . . rr_2mce 1
. 18 . 5446 . 1 1 6 GLN CB C -9.173 4.588 -2.597 . . . 1.0 . . . . . . . . . . . . A . 6 GLN CB . . . . . . . . . rr_2mce 1
. 18 . 5447 . 1 1 6 GLN CD C -10.399 2.952 -4.075 . . . 1.0 . . . . . . . . . . . . A . 6 GLN CD . . . . . . . . . rr_2mce 1
. 18 . 5448 . 1 1 6 GLN CG C -9.341 4.056 -4.022 . . . 1.0 . . . . . . . . . . . . A . 6 GLN CG . . . . . . . . . rr_2mce 1
. 18 . 5449 . 1 1 6 GLN H H -9.425 4.160 -0.168 . . . 1.0 . . . . . . . . . . . . A . 6 GLN H . . . . . . . . . rr_2mce 1
. 18 . 5450 . 1 1 6 GLN HA H -8.268 2.688 -2.157 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HA . . . . . . . . . rr_2mce 1
. 18 . 5451 . 1 1 6 GLN HB2 H -10.142 4.615 -2.099 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HB2 . . . . . . . . . rr_2mce 1
. 18 . 5452 . 1 1 6 GLN HB3 H -8.803 5.613 -2.629 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HB3 . . . . . . . . . rr_2mce 1
. 18 . 5453 . 1 1 6 GLN HE21 H -8.949 1.607 -3.643 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HE21 . . . . . . . . . rr_2mce 1
. 18 . 5454 . 1 1 6 GLN HE22 H -10.536 0.945 -3.847 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HE22 . . . . . . . . . rr_2mce 1
. 18 . 5455 . 1 1 6 GLN HG2 H -9.627 4.871 -4.687 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HG2 . . . . . . . . . rr_2mce 1
. 18 . 5456 . 1 1 6 GLN HG3 H -8.388 3.669 -4.383 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HG3 . . . . . . . . . rr_2mce 1
. 18 . 5457 . 1 1 6 GLN N N -8.592 3.657 -0.397 . . . 1.0 . . . . . . . . . . . . A . 6 GLN N . . . . . . . . . rr_2mce 1
. 18 . 5458 . 1 1 6 GLN NE2 N -9.922 1.733 -3.835 . . . 1.0 . . . . . . . . . . . . A . 6 GLN NE2 . . . . . . . . . rr_2mce 1
. 18 . 5459 . 1 1 6 GLN O O -6.059 3.859 -2.866 . . . 1.0 . . . . . . . . . . . . A . 6 GLN O . . . . . . . . . rr_2mce 1
. 18 . 5460 . 1 1 6 GLN OE1 O -11.570 3.190 -4.316 . . . 1.0 . . . . . . . . . . . . A . 6 GLN OE1 . . . . . . . . . rr_2mce 1
. 18 . 5461 . 1 1 7 ILE C C -4.085 4.655 -0.287 . . . 1.0 . . . . . . . . . . . . A . 7 ILE C . . . . . . . . . rr_2mce 1
. 18 . 5462 . 1 1 7 ILE CA C -5.042 5.627 -0.978 . . . 1.0 . . . . . . . . . . . . A . 7 ILE CA . . . . . . . . . rr_2mce 1
. 18 . 5463 . 1 1 7 ILE CB C -5.051 7.026 -0.358 . . . 1.0 . . . . . . . . . . . . A . 7 ILE CB . . . . . . . . . rr_2mce 1
. 18 . 5464 . 1 1 7 ILE CD1 C -7.186 7.659 0.825 . . . 1.0 . . . . . . . . . . . . A . 7 ILE CD1 . . . . . . . . . rr_2mce 1
. 18 . 5465 . 1 1 7 ILE CG1 C -5.799 7.031 0.976 . . . 1.0 . . . . . . . . . . . . A . 7 ILE CG1 . . . . . . . . . rr_2mce 1
. 18 . 5466 . 1 1 7 ILE CG2 C -5.619 8.056 -1.338 . . . 1.0 . . . . . . . . . . . . A . 7 ILE CG2 . . . . . . . . . rr_2mce 1
. 18 . 5467 . 1 1 7 ILE H H -6.965 5.356 -0.221 . . . 1.0 . . . . . . . . . . . . A . 7 ILE H . . . . . . . . . rr_2mce 1
. 18 . 5468 . 1 1 7 ILE HA H -4.733 5.737 -2.018 . . . 1.0 . . . . . . . . . . . . A . 7 ILE HA . . . . . . . . . rr_2mce 1
. 18 . 5469 . 1 1 7 ILE HB H -4.021 7.314 -0.151 . . . 1.0 . . . . . . . . . . . . A . 7 ILE HB . . . . . . . . . rr_2mce 1
. 18 . 5470 . 1 1 7 ILE HD11 H -7.083 8.689 0.484 . . . 1.0 . . . . . . . . . . . . A . 7 ILE HD11 . . . . . . . . . rr_2mce 1
. 18 . 5471 . 1 1 7 ILE HD12 H -7.765 7.091 0.097 . . . 1.0 . . . . . . . . . . . . A . 7 ILE HD12 . . . . . . . . . rr_2mce 1
. 18 . 5472 . 1 1 7 ILE HD13 H -7.698 7.645 1.787 . . . 1.0 . . . . . . . . . . . . A . 7 ILE HD13 . . . . . . . . . rr_2mce 1
. 18 . 5473 . 1 1 7 ILE HG12 H -5.897 6.010 1.346 . . . 1.0 . . . . . . . . . . . . A . 7 ILE HG12 . . . . . . . . . rr_2mce 1
. 18 . 5474 . 1 1 7 ILE HG13 H -5.224 7.585 1.718 . . . 1.0 . . . . . . . . . . . . A . 7 ILE HG13 . . . . . . . . . rr_2mce 1
. 18 . 5475 . 1 1 7 ILE HG21 H -6.671 7.838 -1.523 . . . 1.0 . . . . . . . . . . . . A . 7 ILE HG21 . . . . . . . . . rr_2mce 1
. 18 . 5476 . 1 1 7 ILE HG22 H -5.524 9.055 -0.911 . . . 1.0 . . . . . . . . . . . . A . 7 ILE HG22 . . . . . . . . . rr_2mce 1
. 18 . 5477 . 1 1 7 ILE HG23 H -5.067 8.007 -2.276 . . . 1.0 . . . . . . . . . . . . A . 7 ILE HG23 . . . . . . . . . rr_2mce 1
. 18 . 5478 . 1 1 7 ILE N N -6.382 5.063 -0.978 . . . 1.0 . . . . . . . . . . . . A . 7 ILE N . . . . . . . . . rr_2mce 1
. 18 . 5479 . 1 1 7 ILE O O -2.893 4.633 -0.589 . . . 1.0 . . . . . . . . . . . . A . 7 ILE O . . . . . . . . . rr_2mce 1
. 18 . 5480 . 1 1 8 SER C C -3.526 1.707 0.468 . . . 1.0 . . . . . . . . . . . . A . 8 SER C . . . . . . . . . rr_2mce 1
. 18 . 5481 . 1 1 8 SER CA C -3.851 2.903 1.364 . . . 1.0 . . . . . . . . . . . . A . 8 SER CA . . . . . . . . . rr_2mce 1
. 18 . 5482 . 1 1 8 SER CB C -4.584 2.438 2.624 . . . 1.0 . . . . . . . . . . . . A . 8 SER CB . . . . . . . . . rr_2mce 1
. 18 . 5483 . 1 1 8 SER H H -5.613 3.899 0.868 . . . 1.0 . . . . . . . . . . . . A . 8 SER H . . . . . . . . . rr_2mce 1
. 18 . 5484 . 1 1 8 SER HA H -2.940 3.428 1.648 . . . 1.0 . . . . . . . . . . . . A . 8 SER HA . . . . . . . . . rr_2mce 1
. 18 . 5485 . 1 1 8 SER HB2 H -5.549 2.944 2.691 . . . 1.0 . . . . . . . . . . . . A . 8 SER HB2 . . . . . . . . . rr_2mce 1
. 18 . 5486 . 1 1 8 SER HB3 H -4.790 1.370 2.551 . . . 1.0 . . . . . . . . . . . . A . 8 SER HB3 . . . . . . . . . rr_2mce 1
. 18 . 5487 . 1 1 8 SER HG H -4.357 3.278 4.426 . . . 1.0 . . . . . . . . . . . . A . 8 SER HG . . . . . . . . . rr_2mce 1
. 18 . 5488 . 1 1 8 SER N N -4.642 3.875 0.628 . . . 1.0 . . . . . . . . . . . . A . 8 SER N . . . . . . . . . rr_2mce 1
. 18 . 5489 . 1 1 8 SER O O -2.597 0.950 0.750 . . . 1.0 . . . . . . . . . . . . A . 8 SER O . . . . . . . . . rr_2mce 1
. 18 . 5490 . 1 1 8 SER OG O -3.832 2.697 3.806 . . . 1.0 . . . . . . . . . . . . A . 8 SER OG . . . . . . . . . rr_2mce 1
. 18 . 5491 . 1 1 9 HIS C C -2.844 0.725 -2.348 . . . 1.0 . . . . . . . . . . . . A . 9 HIS C . . . . . . . . . rr_2mce 1
. 18 . 5492 . 1 1 9 HIS CA C -4.115 0.480 -1.532 . . . 1.0 . . . . . . . . . . . . A . 9 HIS CA . . . . . . . . . rr_2mce 1
. 18 . 5493 . 1 1 9 HIS CB C -5.356 0.291 -2.407 . . . 1.0 . . . . . . . . . . . . A . 9 HIS CB . . . . . . . . . rr_2mce 1
. 18 . 5494 . 1 1 9 HIS CD2 C -4.623 -1.778 -3.826 . . . 1.0 . . . . . . . . . . . . A . 9 HIS CD2 . . . . . . . . . rr_2mce 1
. 18 . 5495 . 1 1 9 HIS CE1 C -5.038 -0.957 -5.812 . . . 1.0 . . . . . . . . . . . . A . 9 HIS CE1 . . . . . . . . . rr_2mce 1
. 18 . 5496 . 1 1 9 HIS CG C -5.105 -0.514 -3.661 . . . 1.0 . . . . . . . . . . . . A . 9 HIS CG . . . . . . . . . rr_2mce 1
. 18 . 5497 . 1 1 9 HIS H H -5.062 2.191 -0.814 . . . 1.0 . . . . . . . . . . . . A . 9 HIS H . . . . . . . . . rr_2mce 1
. 18 . 5498 . 1 1 9 HIS HA H -3.987 -0.424 -0.937 . . . 1.0 . . . . . . . . . . . . A . 9 HIS HA . . . . . . . . . rr_2mce 1
. 18 . 5499 . 1 1 9 HIS HB2 H -6.130 -0.203 -1.820 . . . 1.0 . . . . . . . . . . . . A . 9 HIS HB2 . . . . . . . . . rr_2mce 1
. 18 . 5500 . 1 1 9 HIS HB3 H -5.743 1.271 -2.688 . . . 1.0 . . . . . . . . . . . . A . 9 HIS HB3 . . . . . . . . . rr_2mce 1
. 18 . 5501 . 1 1 9 HIS HD1 H -5.718 0.886 -5.145 . . . 1.0 . . . . . . . . . . . . A . 9 HIS HD1 . . . . . . . . . rr_2mce 1
. 18 . 5502 . 1 1 9 HIS HD2 H -4.321 -2.455 -3.027 . . . 1.0 . . . . . . . . . . . . A . 9 HIS HD2 . . . . . . . . . rr_2mce 1
. 18 . 5503 . 1 1 9 HIS HE1 H -5.123 -0.873 -6.896 . . . 1.0 . . . . . . . . . . . . A . 9 HIS HE1 . . . . . . . . . rr_2mce 1
. 18 . 5504 . 1 1 9 HIS N N -4.309 1.572 -0.592 . . . 1.0 . . . . . . . . . . . . A . 9 HIS N . . . . . . . . . rr_2mce 1
. 18 . 5505 . 1 1 9 HIS ND1 N -5.356 -0.021 -4.930 . . . 1.0 . . . . . . . . . . . . A . 9 HIS ND1 . . . . . . . . . rr_2mce 1
. 18 . 5506 . 1 1 9 HIS NE2 N -4.583 -2.045 -5.126 . . . 1.0 . . . . . . . . . . . . A . 9 HIS NE2 . . . . . . . . . rr_2mce 1
. 18 . 5507 . 1 1 9 HIS O O -2.288 -0.205 -2.930 . . . 1.0 . . . . . . . . . . . . A . 9 HIS O . . . . . . . . . rr_2mce 1
. 18 . 5508 . 1 1 10 LYS C C 0.007 2.061 -2.247 . . . 1.0 . . . . . . . . . . . . A . 10 LYS C . . . . . . . . . rr_2mce 1
. 18 . 5509 . 1 1 10 LYS CA C -1.227 2.359 -3.100 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CA . . . . . . . . . rr_2mce 1
. 18 . 5510 . 1 1 10 LYS CB C -1.320 3.815 -3.559 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CB . . . . . . . . . rr_2mce 1
. 18 . 5511 . 1 1 10 LYS CD C -1.765 3.492 -6.020 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CD . . . . . . . . . rr_2mce 1
. 18 . 5512 . 1 1 10 LYS CE C -1.928 4.561 -7.104 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CE . . . . . . . . . rr_2mce 1
. 18 . 5513 . 1 1 10 LYS CG C -2.343 3.971 -4.688 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CG . . . . . . . . . rr_2mce 1
. 18 . 5514 . 1 1 10 LYS H H -2.881 2.731 -1.889 . . . 1.0 . . . . . . . . . . . . A . 10 LYS H . . . . . . . . . rr_2mce 1
. 18 . 5515 . 1 1 10 LYS HA H -1.186 1.740 -3.996 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HA . . . . . . . . . rr_2mce 1
. 18 . 5516 . 1 1 10 LYS HB2 H -1.602 4.449 -2.719 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HB2 . . . . . . . . . rr_2mce 1
. 18 . 5517 . 1 1 10 LYS HB3 H -0.343 4.156 -3.901 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HB3 . . . . . . . . . rr_2mce 1
. 18 . 5518 . 1 1 10 LYS HD2 H -0.709 3.251 -5.898 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HD2 . . . . . . . . . rr_2mce 1
. 18 . 5519 . 1 1 10 LYS HD3 H -2.267 2.576 -6.331 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HD3 . . . . . . . . . rr_2mce 1
. 18 . 5520 . 1 1 10 LYS HE2 H -2.767 5.212 -6.858 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HE2 . . . . . . . . . rr_2mce 1
. 18 . 5521 . 1 1 10 LYS HE3 H -1.038 5.189 -7.140 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HE3 . . . . . . . . . rr_2mce 1
. 18 . 5522 . 1 1 10 LYS HG2 H -3.240 3.399 -4.450 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HG2 . . . . . . . . . rr_2mce 1
. 18 . 5523 . 1 1 10 LYS HG3 H -2.643 5.015 -4.770 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HG3 . . . . . . . . . rr_2mce 1
. 18 . 5524 . 1 1 10 LYS HZ1 H -1.806 2.978 -8.455 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HZ1 . . . . . . . . . rr_2mce 1
. 18 . 5525 . 1 1 10 LYS HZ3 H -1.685 4.436 -9.169 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HZ3 . . . . . . . . . rr_2mce 1
. 18 . 5526 . 1 1 10 LYS N N -2.422 1.981 -2.365 . . . 1.0 . . . . . . . . . . . . A . 10 LYS N . . . . . . . . . rr_2mce 1
. 18 . 5527 . 1 1 10 LYS NZ N -2.152 3.932 -8.424 . . . 1.0 . . . . . . . . . . . . A . 10 LYS NZ . . . . . . . . . rr_2mce 1
. 18 . 5528 . 1 1 10 LYS O O 1.111 1.923 -2.772 . . . 1.0 . . . . . . . . . . . . A . 10 LYS O . . . . . . . . . rr_2mce 1
. 18 . 5529 . 1 1 11 ARG C C 1.327 0.242 -0.163 . . . 1.0 . . . . . . . . . . . . A . 11 ARG C . . . . . . . . . rr_2mce 1
. 18 . 5530 . 1 1 11 ARG CA C 0.859 1.692 -0.014 . . . 1.0 . . . . . . . . . . . . A . 11 ARG CA . . . . . . . . . rr_2mce 1
. 18 . 5531 . 1 1 11 ARG CB C 0.417 1.931 1.431 . . . 1.0 . . . . . . . . . . . . A . 11 ARG CB . . . . . . . . . rr_2mce 1
. 18 . 5532 . 1 1 11 ARG CD C -0.230 4.261 2.147 . . . 1.0 . . . . . . . . . . . . A . 11 ARG CD . . . . . . . . . rr_2mce 1
. 18 . 5533 . 1 1 11 ARG CG C 0.926 3.280 1.944 . . . 1.0 . . . . . . . . . . . . A . 11 ARG CG . . . . . . . . . rr_2mce 1
. 18 . 5534 . 1 1 11 ARG CZ C 0.558 6.345 1.013 . . . 1.0 . . . . . . . . . . . . A . 11 ARG CZ . . . . . . . . . rr_2mce 1
. 18 . 5535 . 1 1 11 ARG H H -1.121 2.084 -0.525 . . . 1.0 . . . . . . . . . . . . A . 11 ARG H . . . . . . . . . rr_2mce 1
. 18 . 5536 . 1 1 11 ARG HA H 1.650 2.390 -0.288 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HA . . . . . . . . . rr_2mce 1
. 18 . 5537 . 1 1 11 ARG HB2 H -0.671 1.903 1.492 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HB2 . . . . . . . . . rr_2mce 1
. 18 . 5538 . 1 1 11 ARG HB3 H 0.792 1.130 2.068 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HB3 . . . . . . . . . rr_2mce 1
. 18 . 5539 . 1 1 11 ARG HD2 H -0.972 4.130 1.360 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HD2 . . . . . . . . . rr_2mce 1
. 18 . 5540 . 1 1 11 ARG HD3 H -0.729 4.056 3.094 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HD3 . . . . . . . . . rr_2mce 1
. 18 . 5541 . 1 1 11 ARG HE H 0.424 6.105 3.015 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HE . . . . . . . . . rr_2mce 1
. 18 . 5542 . 1 1 11 ARG HG2 H 1.458 3.138 2.884 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HG2 . . . . . . . . . rr_2mce 1
. 18 . 5543 . 1 1 11 ARG HG3 H 1.641 3.696 1.234 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HG3 . . . . . . . . . rr_2mce 1
. 18 . 5544 . 1 1 11 ARG HH11 H 0.039 4.847 -0.275 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HH11 . . . . . . . . . rr_2mce 1
. 18 . 5545 . 1 1 11 ARG HH12 H 0.589 6.306 -1.030 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HH12 . . . . . . . . . rr_2mce 1
. 18 . 5546 . 1 1 11 ARG HH22 H 1.237 8.163 0.339 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HH22 . . . . . . . . . rr_2mce 1
. 18 . 5547 . 1 1 11 ARG N N -0.221 1.971 -0.945 . . . 1.0 . . . . . . . . . . . . A . 11 ARG N . . . . . . . . . rr_2mce 1
. 18 . 5548 . 1 1 11 ARG NE N 0.278 5.651 2.136 . . . 1.0 . . . . . . . . . . . . A . 11 ARG NE . . . . . . . . . rr_2mce 1
. 18 . 5549 . 1 1 11 ARG NH1 N 0.380 5.784 -0.202 . . . 1.0 . . . . . . . . . . . . A . 11 ARG NH1 . . . . . . . . . rr_2mce 1
. 18 . 5550 . 1 1 11 ARG NH2 N 1.007 7.582 1.120 . . . 1.0 . . . . . . . . . . . . A . 11 ARG NH2 . . . . . . . . . rr_2mce 1
. 18 . 5551 . 1 1 11 ARG O O 2.321 -0.158 0.441 . . . 1.0 . . . . . . . . . . . . A . 11 ARG O . . . . . . . . . rr_2mce 1
. 18 . 5552 . 1 1 12 HIS C C 2.260 -1.997 -1.932 . . . 1.0 . . . . . . . . . . . . A . 12 HIS C . . . . . . . . . rr_2mce 1
. 18 . 5553 . 1 1 12 HIS CA C 0.917 -1.900 -1.207 . . . 1.0 . . . . . . . . . . . . A . 12 HIS CA . . . . . . . . . rr_2mce 1
. 18 . 5554 . 1 1 12 HIS CB C -0.215 -2.603 -1.960 . . . 1.0 . . . . . . . . . . . . A . 12 HIS CB . . . . . . . . . rr_2mce 1
. 18 . 5555 . 1 1 12 HIS CD2 C -2.060 -4.043 -0.799 . . . 1.0 . . . . . . . . . . . . A . 12 HIS CD2 . . . . . . . . . rr_2mce 1
. 18 . 5556 . 1 1 12 HIS CE1 C -3.169 -2.417 0.157 . . . 1.0 . . . . . . . . . . . . A . 12 HIS CE1 . . . . . . . . . rr_2mce 1
. 18 . 5557 . 1 1 12 HIS CG C -1.439 -2.872 -1.119 . . . 1.0 . . . . . . . . . . . . A . 12 HIS CG . . . . . . . . . rr_2mce 1
. 18 . 5558 . 1 1 12 HIS H H -0.217 -0.171 -1.459 . . . 1.0 . . . . . . . . . . . . A . 12 HIS H . . . . . . . . . rr_2mce 1
. 18 . 5559 . 1 1 12 HIS HA H 1.006 -2.371 -0.228 . . . 1.0 . . . . . . . . . . . . A . 12 HIS HA . . . . . . . . . rr_2mce 1
. 18 . 5560 . 1 1 12 HIS HB2 H -0.502 -1.992 -2.817 . . . 1.0 . . . . . . . . . . . . A . 12 HIS HB2 . . . . . . . . . rr_2mce 1
. 18 . 5561 . 1 1 12 HIS HB3 H 0.158 -3.548 -2.355 . . . 1.0 . . . . . . . . . . . . A . 12 HIS HB3 . . . . . . . . . rr_2mce 1
. 18 . 5562 . 1 1 12 HIS HD1 H -1.956 -0.887 -0.546 . . . 1.0 . . . . . . . . . . . . A . 12 HIS HD1 . . . . . . . . . rr_2mce 1
. 18 . 5563 . 1 1 12 HIS HD2 H -1.752 -5.037 -1.122 . . . 1.0 . . . . . . . . . . . . A . 12 HIS HD2 . . . . . . . . . rr_2mce 1
. 18 . 5564 . 1 1 12 HIS HE1 H -3.919 -1.885 0.744 . . . 1.0 . . . . . . . . . . . . A . 12 HIS HE1 . . . . . . . . . rr_2mce 1
. 18 . 5565 . 1 1 12 HIS N N 0.589 -0.504 -0.972 . . . 1.0 . . . . . . . . . . . . A . 12 HIS N . . . . . . . . . rr_2mce 1
. 18 . 5566 . 1 1 12 HIS ND1 N -2.161 -1.866 -0.503 . . . 1.0 . . . . . . . . . . . . A . 12 HIS ND1 . . . . . . . . . rr_2mce 1
. 18 . 5567 . 1 1 12 HIS NE2 N -3.105 -3.767 -0.027 . . . 1.0 . . . . . . . . . . . . A . 12 HIS NE2 . . . . . . . . . rr_2mce 1
. 18 . 5568 . 1 1 12 HIS O O 2.859 -3.070 -1.996 . . . 1.0 . . . . . . . . . . . . A . 12 HIS O . . . . . . . . . rr_2mce 1
. 18 . 5569 . 1 1 13 LYS C C 5.113 -0.868 -2.172 . . . 1.0 . . . . . . . . . . . . A . 13 LYS C . . . . . . . . . rr_2mce 1
. 18 . 5570 . 1 1 13 LYS CA C 3.959 -0.805 -3.175 . . . 1.0 . . . . . . . . . . . . A . 13 LYS CA . . . . . . . . . rr_2mce 1
. 18 . 5571 . 1 1 13 LYS CB C 4.003 0.424 -4.086 . . . 1.0 . . . . . . . . . . . . A . 13 LYS CB . . . . . . . . . rr_2mce 1
. 18 . 5572 . 1 1 13 LYS CD C 5.311 2.515 -3.567 . . . 1.0 . . . . . . . . . . . . A . 13 LYS CD . . . . . . . . . rr_2mce 1
. 18 . 5573 . 1 1 13 LYS CE C 5.066 3.531 -4.686 . . . 1.0 . . . . . . . . . . . . A . 13 LYS CE . . . . . . . . . rr_2mce 1
. 18 . 5574 . 1 1 13 LYS CG C 4.044 1.714 -3.265 . . . 1.0 . . . . . . . . . . . . A . 13 LYS CG . . . . . . . . . rr_2mce 1
. 18 . 5575 . 1 1 13 LYS H H 2.203 0.007 -2.400 . . . 1.0 . . . . . . . . . . . . A . 13 LYS H . . . . . . . . . rr_2mce 1
. 18 . 5576 . 1 1 13 LYS HA H 4.010 -1.684 -3.816 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HA . . . . . . . . . rr_2mce 1
. 18 . 5577 . 1 1 13 LYS HB2 H 4.878 0.371 -4.733 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HB2 . . . . . . . . . rr_2mce 1
. 18 . 5578 . 1 1 13 LYS HB3 H 3.128 0.429 -4.736 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HB3 . . . . . . . . . rr_2mce 1
. 18 . 5579 . 1 1 13 LYS HD2 H 5.642 3.033 -2.668 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HD2 . . . . . . . . . rr_2mce 1
. 18 . 5580 . 1 1 13 LYS HD3 H 6.114 1.837 -3.857 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HD3 . . . . . . . . . rr_2mce 1
. 18 . 5581 . 1 1 13 LYS HE2 H 4.741 3.014 -5.589 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HE2 . . . . . . . . . rr_2mce 1
. 18 . 5582 . 1 1 13 LYS HE3 H 4.260 4.208 -4.399 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HE3 . . . . . . . . . rr_2mce 1
. 18 . 5583 . 1 1 13 LYS HG2 H 3.165 2.320 -3.489 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HG2 . . . . . . . . . rr_2mce 1
. 18 . 5584 . 1 1 13 LYS HG3 H 4.005 1.476 -2.203 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HG3 . . . . . . . . . rr_2mce 1
. 18 . 5585 . 1 1 13 LYS HZ1 H 6.453 5.030 -4.274 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HZ1 . . . . . . . . . rr_2mce 1
. 18 . 5586 . 1 1 13 LYS HZ3 H 6.262 4.760 -5.869 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HZ3 . . . . . . . . . rr_2mce 1
. 18 . 5587 . 1 1 13 LYS N N 2.696 -0.862 -2.458 . . . 1.0 . . . . . . . . . . . . A . 13 LYS N . . . . . . . . . rr_2mce 1
. 18 . 5588 . 1 1 13 LYS NZ N 6.297 4.304 -4.963 . . . 1.0 . . . . . . . . . . . . A . 13 LYS NZ . . . . . . . . . rr_2mce 1
. 18 . 5589 . 1 1 13 LYS O O 6.224 -1.260 -2.524 . . . 1.0 . . . . . . . . . . . . A . 13 LYS O . . . . . . . . . rr_2mce 1
. 18 . 5590 . 1 1 14 THR C C 6.071 -1.914 0.587 . . . 1.0 . . . . . . . . . . . . A . 14 THR C . . . . . . . . . rr_2mce 1
. 18 . 5591 . 1 1 14 THR CA C 5.807 -0.484 0.112 . . . 1.0 . . . . . . . . . . . . A . 14 THR CA . . . . . . . . . rr_2mce 1
. 18 . 5592 . 1 1 14 THR CB C 5.323 0.447 1.226 . . . 1.0 . . . . . . . . . . . . A . 14 THR CB . . . . . . . . . rr_2mce 1
. 18 . 5593 . 1 1 14 THR CG2 C 6.199 0.365 2.479 . . . 1.0 . . . . . . . . . . . . A . 14 THR CG2 . . . . . . . . . rr_2mce 1
. 18 . 5594 . 1 1 14 THR H H 3.902 -0.159 -0.666 . . . 1.0 . . . . . . . . . . . . A . 14 THR H . . . . . . . . . rr_2mce 1
. 18 . 5595 . 1 1 14 THR HA H 6.744 -0.104 -0.297 . . . 1.0 . . . . . . . . . . . . A . 14 THR HA . . . . . . . . . rr_2mce 1
. 18 . 5596 . 1 1 14 THR HB H 4.278 0.253 1.469 . . . 1.0 . . . . . . . . . . . . A . 14 THR HB . . . . . . . . . rr_2mce 1
. 18 . 5597 . 1 1 14 THR HG1 H 5.406 2.436 1.432 . . . 1.0 . . . . . . . . . . . . A . 14 THR HG1 . . . . . . . . . rr_2mce 1
. 18 . 5598 . 1 1 14 THR HG21 H 6.318 -0.678 2.772 . . . 1.0 . . . . . . . . . . . . A . 14 THR HG21 . . . . . . . . . rr_2mce 1
. 18 . 5599 . 1 1 14 THR HG22 H 7.177 0.797 2.268 . . . 1.0 . . . . . . . . . . . . A . 14 THR HG22 . . . . . . . . . rr_2mce 1
. 18 . 5600 . 1 1 14 THR HG23 H 5.725 0.918 3.290 . . . 1.0 . . . . . . . . . . . . A . 14 THR HG23 . . . . . . . . . rr_2mce 1
. 18 . 5601 . 1 1 14 THR N N 4.808 -0.476 -0.944 . . . 1.0 . . . . . . . . . . . . A . 14 THR N . . . . . . . . . rr_2mce 1
. 18 . 5602 . 1 1 14 THR O O 7.135 -2.205 1.131 . . . 1.0 . . . . . . . . . . . . A . 14 THR O . . . . . . . . . rr_2mce 1
. 18 . 5603 . 1 1 14 THR OG1 O 5.567 1.755 0.717 . . . 1.0 . . . . . . . . . . . . A . 14 THR OG1 . . . . . . . . . rr_2mce 1
. 18 . 5604 . 1 1 15 ASP C C 6.133 -4.890 -0.205 . . . 1.0 . . . . . . . . . . . . A . 15 ASP C . . . . . . . . . rr_2mce 1
. 18 . 5605 . 1 1 15 ASP CA C 5.197 -4.162 0.760 . . . 1.0 . . . . . . . . . . . . A . 15 ASP CA . . . . . . . . . rr_2mce 1
. 18 . 5606 . 1 1 15 ASP CB C 3.835 -4.860 0.715 . . . 1.0 . . . . . . . . . . . . A . 15 ASP CB . . . . . . . . . rr_2mce 1
. 18 . 5607 . 1 1 15 ASP CG C 3.017 -4.767 2.004 . . . 1.0 . . . . . . . . . . . . A . 15 ASP CG . . . . . . . . . rr_2mce 1
. 18 . 5608 . 1 1 15 ASP H H 4.221 -2.525 -0.080 . . . 1.0 . . . . . . . . . . . . A . 15 ASP H . . . . . . . . . rr_2mce 1
. 18 . 5609 . 1 1 15 ASP HA H 5.584 -4.139 1.780 . . . 1.0 . . . . . . . . . . . . A . 15 ASP HA . . . . . . . . . rr_2mce 1
. 18 . 5610 . 1 1 15 ASP HB2 H 3.251 -4.431 -0.100 . . . 1.0 . . . . . . . . . . . . A . 15 ASP HB2 . . . . . . . . . rr_2mce 1
. 18 . 5611 . 1 1 15 ASP HB3 H 3.991 -5.912 0.476 . . . 1.0 . . . . . . . . . . . . A . 15 ASP HB3 . . . . . . . . . rr_2mce 1
. 18 . 5612 . 1 1 15 ASP HD2 H 2.174 -6.419 2.333 . . . 1.0 . . . . . . . . . . . . A . 15 ASP HD2 . . . . . . . . . rr_2mce 1
. 18 . 5613 . 1 1 15 ASP N N 5.084 -2.769 0.363 . . . 1.0 . . . . . . . . . . . . A . 15 ASP N . . . . . . . . . rr_2mce 1
. 18 . 5614 . 1 1 15 ASP O O 6.803 -5.848 0.177 . . . 1.0 . . . . . . . . . . . . A . 15 ASP O . . . . . . . . . rr_2mce 1
. 18 . 5615 . 1 1 15 ASP OD1 O 2.489 -3.700 2.349 . . . 1.0 . . . . . . . . . . . . A . 15 ASP OD1 . . . . . . . . . rr_2mce 1
. 18 . 5616 . 1 1 15 ASP OD2 O 2.933 -5.865 2.676 . . . 1.0 . . . . . . . . . . . . A . 15 ASP OD2 . . . . . . . . . rr_2mce 1
. 18 . 5617 . 1 1 16 SER C C 8.467 -4.721 -2.154 . . . 1.0 . . . . . . . . . . . . A . 16 SER C . . . . . . . . . rr_2mce 1
. 18 . 5618 . 1 1 16 SER CA C 6.995 -5.000 -2.463 . . . 1.0 . . . . . . . . . . . . A . 16 SER CA . . . . . . . . . rr_2mce 1
. 18 . 5619 . 1 1 16 SER CB C 6.633 -4.468 -3.851 . . . 1.0 . . . . . . . . . . . . A . 16 SER CB . . . . . . . . . rr_2mce 1
. 18 . 5620 . 1 1 16 SER H H 5.603 -3.628 -1.742 . . . 1.0 . . . . . . . . . . . . A . 16 SER H . . . . . . . . . rr_2mce 1
. 18 . 5621 . 1 1 16 SER HA H 6.791 -6.070 -2.421 . . . 1.0 . . . . . . . . . . . . A . 16 SER HA . . . . . . . . . rr_2mce 1
. 18 . 5622 . 1 1 16 SER HB2 H 7.022 -5.144 -4.612 . . . 1.0 . . . . . . . . . . . . A . 16 SER HB2 . . . . . . . . . rr_2mce 1
. 18 . 5623 . 1 1 16 SER HB3 H 5.549 -4.451 -3.963 . . . 1.0 . . . . . . . . . . . . A . 16 SER HB3 . . . . . . . . . rr_2mce 1
. 18 . 5624 . 1 1 16 SER HG H 8.151 -3.183 -4.071 . . . 1.0 . . . . . . . . . . . . A . 16 SER HG . . . . . . . . . rr_2mce 1
. 18 . 5625 . 1 1 16 SER N N 6.151 -4.407 -1.439 . . . 1.0 . . . . . . . . . . . . A . 16 SER N . . . . . . . . . rr_2mce 1
. 18 . 5626 . 1 1 16 SER O O 9.346 -5.475 -2.569 . . . 1.0 . . . . . . . . . . . . A . 16 SER O . . . . . . . . . rr_2mce 1
. 18 . 5627 . 1 1 16 SER OG O 7.152 -3.158 -4.072 . . . 1.0 . . . . . . . . . . . . A . 16 SER OG . . . . . . . . . rr_2mce 1
. 18 . 5628 . 1 1 17 PHE C C 10.583 -4.144 0.058 . . . 1.0 . . . . . . . . . . . . A . 17 PHE C . . . . . . . . . rr_2mce 1
. 18 . 5629 . 1 1 17 PHE CA C 10.041 -3.247 -1.058 . . . 1.0 . . . . . . . . . . . . A . 17 PHE CA . . . . . . . . . rr_2mce 1
. 18 . 5630 . 1 1 17 PHE CB C 9.969 -1.807 -0.548 . . . 1.0 . . . . . . . . . . . . A . 17 PHE CB . . . . . . . . . rr_2mce 1
. 18 . 5631 . 1 1 17 PHE CD1 C 10.900 -0.571 -2.516 . . . 1.0 . . . . . . . . . . . . A . 17 PHE CD1 . . . . . . . . . rr_2mce 1
. 18 . 5632 . 1 1 17 PHE CD2 C 11.987 -0.329 -0.440 . . . 1.0 . . . . . . . . . . . . A . 17 PHE CD2 . . . . . . . . . rr_2mce 1
. 18 . 5633 . 1 1 17 PHE CE1 C 11.848 0.302 -3.114 . . . 1.0 . . . . . . . . . . . . A . 17 PHE CE1 . . . . . . . . . rr_2mce 1
. 18 . 5634 . 1 1 17 PHE CE2 C 12.935 0.544 -1.038 . . . 1.0 . . . . . . . . . . . . A . 17 PHE CE2 . . . . . . . . . rr_2mce 1
. 18 . 5635 . 1 1 17 PHE CG C 10.990 -0.867 -1.192 . . . 1.0 . . . . . . . . . . . . A . 17 PHE CG . . . . . . . . . rr_2mce 1
. 18 . 5636 . 1 1 17 PHE CZ C 12.846 0.840 -2.363 . . . 1.0 . . . . . . . . . . . . A . 17 PHE CZ . . . . . . . . . rr_2mce 1
. 18 . 5637 . 1 1 17 PHE H H 7.970 -3.028 -1.094 . . . 1.0 . . . . . . . . . . . . A . 17 PHE H . . . . . . . . . rr_2mce 1
. 18 . 5638 . 1 1 17 PHE HA H 10.663 -3.358 -1.945 . . . 1.0 . . . . . . . . . . . . A . 17 PHE HA . . . . . . . . . rr_2mce 1
. 18 . 5639 . 1 1 17 PHE HB2 H 8.967 -1.417 -0.730 . . . 1.0 . . . . . . . . . . . . A . 17 PHE HB2 . . . . . . . . . rr_2mce 1
. 18 . 5640 . 1 1 17 PHE HB3 H 10.120 -1.805 0.532 . . . 1.0 . . . . . . . . . . . . A . 17 PHE HB3 . . . . . . . . . rr_2mce 1
. 18 . 5641 . 1 1 17 PHE HD1 H 10.101 -1.002 -3.119 . . . 1.0 . . . . . . . . . . . . A . 17 PHE HD1 . . . . . . . . . rr_2mce 1
. 18 . 5642 . 1 1 17 PHE HD2 H 12.059 -0.566 0.620 . . . 1.0 . . . . . . . . . . . . A . 17 PHE HD2 . . . . . . . . . rr_2mce 1
. 18 . 5643 . 1 1 17 PHE HE1 H 11.777 0.539 -4.176 . . . 1.0 . . . . . . . . . . . . A . 17 PHE HE1 . . . . . . . . . rr_2mce 1
. 18 . 5644 . 1 1 17 PHE HE2 H 13.734 0.975 -0.436 . . . 1.0 . . . . . . . . . . . . A . 17 PHE HE2 . . . . . . . . . rr_2mce 1
. 18 . 5645 . 1 1 17 PHE HZ H 13.574 1.510 -2.822 . . . 1.0 . . . . . . . . . . . . A . 17 PHE HZ . . . . . . . . . rr_2mce 1
. 18 . 5646 . 1 1 17 PHE N N 8.691 -3.635 -1.427 . . . 1.0 . . . . . . . . . . . . A . 17 PHE N . . . . . . . . . rr_2mce 1
. 18 . 5647 . 1 1 17 PHE O O 11.795 -4.278 0.218 . . . 1.0 . . . . . . . . . . . . A . 17 PHE O . . . . . . . . . rr_2mce 1
. 18 . 5648 . 1 1 18 VAL C C 10.671 -6.883 1.332 . . . 1.0 . . . . . . . . . . . . A . 18 VAL C . . . . . . . . . rr_2mce 1
. 18 . 5649 . 1 1 18 VAL CA C 10.028 -5.614 1.896 . . . 1.0 . . . . . . . . . . . . A . 18 VAL CA . . . . . . . . . rr_2mce 1
. 18 . 5650 . 1 1 18 VAL CB C 8.807 -5.901 2.772 . . . 1.0 . . . . . . . . . . . . A . 18 VAL CB . . . . . . . . . rr_2mce 1
. 18 . 5651 . 1 1 18 VAL CG1 C 9.197 -6.717 4.006 . . . 1.0 . . . . . . . . . . . . A . 18 VAL CG1 . . . . . . . . . rr_2mce 1
. 18 . 5652 . 1 1 18 VAL CG2 C 8.102 -4.604 3.173 . . . 1.0 . . . . . . . . . . . . A . 18 VAL CG2 . . . . . . . . . rr_2mce 1
. 18 . 5653 . 1 1 18 VAL H H 8.674 -4.620 0.664 . . . 1.0 . . . . . . . . . . . . A . 18 VAL H . . . . . . . . . rr_2mce 1
. 18 . 5654 . 1 1 18 VAL HA H 10.765 -5.089 2.506 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HA . . . . . . . . . rr_2mce 1
. 18 . 5655 . 1 1 18 VAL HB H 8.106 -6.495 2.186 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HB . . . . . . . . . rr_2mce 1
. 18 . 5656 . 1 1 18 VAL HG11 H 8.350 -7.327 4.321 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HG11 . . . . . . . . . rr_2mce 1
. 18 . 5657 . 1 1 18 VAL HG12 H 10.040 -7.363 3.763 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HG12 . . . . . . . . . rr_2mce 1
. 18 . 5658 . 1 1 18 VAL HG13 H 9.479 -6.041 4.814 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HG13 . . . . . . . . . rr_2mce 1
. 18 . 5659 . 1 1 18 VAL HG21 H 7.027 -4.774 3.223 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HG21 . . . . . . . . . rr_2mce 1
. 18 . 5660 . 1 1 18 VAL HG22 H 8.464 -4.279 4.149 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HG22 . . . . . . . . . rr_2mce 1
. 18 . 5661 . 1 1 18 VAL HG23 H 8.314 -3.831 2.432 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HG23 . . . . . . . . . rr_2mce 1
. 18 . 5662 . 1 1 18 VAL N N 9.659 -4.735 0.801 . . . 1.0 . . . . . . . . . . . . A . 18 VAL N . . . . . . . . . rr_2mce 1
. 18 . 5663 . 1 1 18 VAL O O 11.533 -7.483 1.970 . . . 1.0 . . . . . . . . . . . . A . 18 VAL O . . . . . . . . . rr_2mce 1
. 18 . 5664 . 1 1 19 GLY C C 12.036 -8.125 -1.276 . . . 1.0 . . . . . . . . . . . . A . 19 GLY C . . . . . . . . . rr_2mce 1
. 18 . 5665 . 1 1 19 GLY CA C 10.745 -8.440 -0.517 . . . 1.0 . . . . . . . . . . . . A . 19 GLY CA . . . . . . . . . rr_2mce 1
. 18 . 5666 . 1 1 19 GLY H H 9.522 -6.760 -0.372 . . . 1.0 . . . . . . . . . . . . A . 19 GLY H . . . . . . . . . rr_2mce 1
. 18 . 5667 . 1 1 19 GLY HA2 H 10.935 -9.217 0.223 . . . 1.0 . . . . . . . . . . . . A . 19 GLY HA2 . . . . . . . . . rr_2mce 1
. 18 . 5668 . 1 1 19 GLY HA3 H 10.000 -8.834 -1.208 . . . 1.0 . . . . . . . . . . . . A . 19 GLY HA3 . . . . . . . . . rr_2mce 1
. 18 . 5669 . 1 1 19 GLY N N 10.225 -7.254 0.140 . . . 1.0 . . . . . . . . . . . . A . 19 GLY N . . . . . . . . . rr_2mce 1
. 18 . 5670 . 1 1 19 GLY O O 12.638 -9.012 -1.878 . . . 1.0 . . . . . . . . . . . . A . 19 GLY O . . . . . . . . . rr_2mce 1
. 18 . 5671 . 1 1 20 LEU C C 14.819 -6.545 -0.942 . . . 1.0 . . . . . . . . . . . . A . 20 LEU C . . . . . . . . . rr_2mce 1
. 18 . 5672 . 1 1 20 LEU CA C 13.630 -6.415 -1.896 . . . 1.0 . . . . . . . . . . . . A . 20 LEU CA . . . . . . . . . rr_2mce 1
. 18 . 5673 . 1 1 20 LEU CB C 13.443 -5.004 -2.457 . . . 1.0 . . . . . . . . . . . . A . 20 LEU CB . . . . . . . . . rr_2mce 1
. 18 . 5674 . 1 1 20 LEU CD1 C 12.632 -5.635 -4.760 . . . 1.0 . . . . . . . . . . . . A . 20 LEU CD1 . . . . . . . . . rr_2mce 1
. 18 . 5675 . 1 1 20 LEU CD2 C 13.697 -3.368 -4.359 . . . 1.0 . . . . . . . . . . . . A . 20 LEU CD2 . . . . . . . . . rr_2mce 1
. 18 . 5676 . 1 1 20 LEU CG C 13.671 -4.845 -3.962 . . . 1.0 . . . . . . . . . . . . A . 20 LEU CG . . . . . . . . . rr_2mce 1
. 18 . 5677 . 1 1 20 LEU H H 11.926 -6.143 -0.730 . . . 1.0 . . . . . . . . . . . . A . 20 LEU H . . . . . . . . . rr_2mce 1
. 18 . 5678 . 1 1 20 LEU HA H 13.794 -7.080 -2.745 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HA . . . . . . . . . rr_2mce 1
. 18 . 5679 . 1 1 20 LEU HB2 H 12.431 -4.673 -2.226 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HB2 . . . . . . . . . rr_2mce 1
. 18 . 5680 . 1 1 20 LEU HB3 H 14.125 -4.333 -1.934 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HB3 . . . . . . . . . rr_2mce 1
. 18 . 5681 . 1 1 20 LEU HD11 H 12.575 -6.652 -4.376 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HD11 . . . . . . . . . rr_2mce 1
. 18 . 5682 . 1 1 20 LEU HD12 H 11.657 -5.154 -4.662 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HD12 . . . . . . . . . rr_2mce 1
. 18 . 5683 . 1 1 20 LEU HD13 H 12.922 -5.658 -5.811 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HD13 . . . . . . . . . rr_2mce 1
. 18 . 5684 . 1 1 20 LEU HD21 H 14.697 -3.101 -4.700 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HD21 . . . . . . . . . rr_2mce 1
. 18 . 5685 . 1 1 20 LEU HD22 H 12.981 -3.194 -5.162 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HD22 . . . . . . . . . rr_2mce 1
. 18 . 5686 . 1 1 20 LEU HD23 H 13.432 -2.755 -3.497 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HD23 . . . . . . . . . rr_2mce 1
. 18 . 5687 . 1 1 20 LEU HG H 14.649 -5.261 -4.206 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HG . . . . . . . . . rr_2mce 1
. 18 . 5688 . 1 1 20 LEU N N 12.422 -6.858 -1.222 . . . 1.0 . . . . . . . . . . . . A . 20 LEU N . . . . . . . . . rr_2mce 1
. 18 . 5689 . 1 1 20 LEU O O 15.964 -6.648 -1.381 . . . 1.0 . . . . . . . . . . . . A . 20 LEU O . . . . . . . . . rr_2mce 1
. 18 . 5690 . 1 1 21 MET C C 16.101 -8.073 1.415 . . . 1.0 . . . . . . . . . . . . A . 21 MET C . . . . . . . . . rr_2mce 1
. 18 . 5691 . 1 1 21 MET CA C 15.535 -6.653 1.365 . . . 1.0 . . . . . . . . . . . . A . 21 MET CA . . . . . . . . . rr_2mce 1
. 18 . 5692 . 1 1 21 MET CB C 14.944 -6.291 2.730 . . . 1.0 . . . . . . . . . . . . A . 21 MET CB . . . . . . . . . rr_2mce 1
. 18 . 5693 . 1 1 21 MET CE C 16.661 -2.975 4.454 . . . 1.0 . . . . . . . . . . . . A . 21 MET CE . . . . . . . . . rr_2mce 1
. 18 . 5694 . 1 1 21 MET CG C 15.926 -5.447 3.545 . . . 1.0 . . . . . . . . . . . . A . 21 MET CG . . . . . . . . . rr_2mce 1
. 18 . 5695 . 1 1 21 MET H H 13.573 -6.454 0.694 . . . 1.0 . . . . . . . . . . . . A . 21 MET H . . . . . . . . . rr_2mce 1
. 18 . 5696 . 1 1 21 MET HA H 16.317 -5.953 1.073 . . . 1.0 . . . . . . . . . . . . A . 21 MET HA . . . . . . . . . rr_2mce 1
. 18 . 5697 . 1 1 21 MET HB2 H 14.013 -5.740 2.592 . . . 1.0 . . . . . . . . . . . . A . 21 MET HB2 . . . . . . . . . rr_2mce 1
. 18 . 5698 . 1 1 21 MET HB3 H 14.699 -7.200 3.277 . . . 1.0 . . . . . . . . . . . . A . 21 MET HB3 . . . . . . . . . rr_2mce 1
. 18 . 5699 . 1 1 21 MET HE1 H 16.168 -3.216 5.396 . . . 1.0 . . . . . . . . . . . . A . 21 MET HE1 . . . . . . . . . rr_2mce 1
. 18 . 5700 . 1 1 21 MET HE2 H 17.681 -3.357 4.469 . . . 1.0 . . . . . . . . . . . . A . 21 MET HE2 . . . . . . . . . rr_2mce 1
. 18 . 5701 . 1 1 21 MET HE3 H 16.680 -1.893 4.321 . . . 1.0 . . . . . . . . . . . . A . 21 MET HE3 . . . . . . . . . rr_2mce 1
. 18 . 5702 . 1 1 21 MET HG2 H 15.733 -5.578 4.610 . . . 1.0 . . . . . . . . . . . . A . 21 MET HG2 . . . . . . . . . rr_2mce 1
. 18 . 5703 . 1 1 21 MET HG3 H 16.947 -5.784 3.363 . . . 1.0 . . . . . . . . . . . . A . 21 MET HG3 . . . . . . . . . rr_2mce 1
. 18 . 5704 . 1 1 21 MET N N 14.507 -6.537 0.345 . . . 1.0 . . . . . . . . . . . . A . 21 MET N . . . . . . . . . rr_2mce 1
. 18 . 5705 . 1 1 21 MET O O 17.312 -8.267 1.326 . . . 1.0 . . . . . . . . . . . . A . 21 MET O . . . . . . . . . rr_2mce 1
. 18 . 5706 . 1 1 21 MET SD S 15.766 -3.725 3.104 . . . 1.0 . . . . . . . . . . . . A . 21 MET SD . . . . . . . . . rr_2mce 1
. 19 . 5707 . 1 1 1 ASP C C -14.844 8.415 1.388 . . . 1.0 . . . . . . . . . . . . A . 1 ASP C . . . . . . . . . rr_2mce 1
. 19 . 5708 . 1 1 1 ASP CA C -15.417 9.573 0.568 . . . 1.0 . . . . . . . . . . . . A . 1 ASP CA . . . . . . . . . rr_2mce 1
. 19 . 5709 . 1 1 1 ASP CB C -15.076 10.878 1.291 . . . 1.0 . . . . . . . . . . . . A . 1 ASP CB . . . . . . . . . rr_2mce 1
. 19 . 5710 . 1 1 1 ASP CG C -15.578 12.149 0.602 . . . 1.0 . . . . . . . . . . . . A . 1 ASP CG . . . . . . . . . rr_2mce 1
. 19 . 5711 . 1 1 1 ASP H1 H -17.404 10.056 0.966 . . . 1.0 . . . . . . . . . . . . A . 1 ASP H1 . . . . . . . . . rr_2mce 1
. 19 . 5712 . 1 1 1 ASP HA H -15.039 9.588 -0.454 . . . 1.0 . . . . . . . . . . . . A . 1 ASP HA . . . . . . . . . rr_2mce 1
. 19 . 5713 . 1 1 1 ASP HB2 H -15.493 10.838 2.296 . . . 1.0 . . . . . . . . . . . . A . 1 ASP HB2 . . . . . . . . . rr_2mce 1
. 19 . 5714 . 1 1 1 ASP HB3 H -13.993 10.945 1.397 . . . 1.0 . . . . . . . . . . . . A . 1 ASP HB3 . . . . . . . . . rr_2mce 1
. 19 . 5715 . 1 1 1 ASP HD2 H -14.791 12.181 -1.108 . . . 1.0 . . . . . . . . . . . . A . 1 ASP HD2 . . . . . . . . . rr_2mce 1
. 19 . 5716 . 1 1 1 ASP N N -16.855 9.406 0.441 . . . 1.0 . . . . . . . . . . . . A . 1 ASP N . . . . . . . . . rr_2mce 1
. 19 . 5717 . 1 1 1 ASP O O -13.726 8.502 1.894 . . . 1.0 . . . . . . . . . . . . A . 1 ASP O . . . . . . . . . rr_2mce 1
. 19 . 5718 . 1 1 1 ASP OD1 O -16.700 12.612 0.857 . . . 1.0 . . . . . . . . . . . . A . 1 ASP OD1 . . . . . . . . . rr_2mce 1
. 19 . 5719 . 1 1 1 ASP OD2 O -14.754 12.675 -0.239 . . . 1.0 . . . . . . . . . . . . A . 1 ASP OD2 . . . . . . . . . rr_2mce 1
. 19 . 5720 . 1 1 2 ALA C C -14.084 5.483 1.496 . . . 1.0 . . . . . . . . . . . . A . 2 ALA C . . . . . . . . . rr_2mce 1
. 19 . 5721 . 1 1 2 ALA CA C -15.221 6.184 2.243 . . . 1.0 . . . . . . . . . . . . A . 2 ALA CA . . . . . . . . . rr_2mce 1
. 19 . 5722 . 1 1 2 ALA CB C -16.426 5.268 2.463 . . . 1.0 . . . . . . . . . . . . A . 2 ALA CB . . . . . . . . . rr_2mce 1
. 19 . 5723 . 1 1 2 ALA H H -16.543 7.295 1.078 . . . 1.0 . . . . . . . . . . . . A . 2 ALA H . . . . . . . . . rr_2mce 1
. 19 . 5724 . 1 1 2 ALA HA H -14.854 6.522 3.212 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HA . . . . . . . . . rr_2mce 1
. 19 . 5725 . 1 1 2 ALA HB1 H -16.100 4.227 2.444 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HB1 . . . . . . . . . rr_2mce 1
. 19 . 5726 . 1 1 2 ALA HB2 H -16.878 5.489 3.431 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HB2 . . . . . . . . . rr_2mce 1
. 19 . 5727 . 1 1 2 ALA HB3 H -17.159 5.433 1.673 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HB3 . . . . . . . . . rr_2mce 1
. 19 . 5728 . 1 1 2 ALA N N -15.636 7.358 1.493 . . . 1.0 . . . . . . . . . . . . A . 2 ALA N . . . . . . . . . rr_2mce 1
. 19 . 5729 . 1 1 2 ALA O O -13.481 4.546 2.015 . . . 1.0 . . . . . . . . . . . . A . 2 ALA O . . . . . . . . . rr_2mce 1
. 19 . 5730 . 1 1 3 GLY C C -11.392 5.795 -0.011 . . . 1.0 . . . . . . . . . . . . A . 3 GLY C . . . . . . . . . rr_2mce 1
. 19 . 5731 . 1 1 3 GLY CA C -12.774 5.395 -0.534 . . . 1.0 . . . . . . . . . . . . A . 3 GLY CA . . . . . . . . . rr_2mce 1
. 19 . 5732 . 1 1 3 GLY H H -14.323 6.727 -0.127 . . . 1.0 . . . . . . . . . . . . A . 3 GLY H . . . . . . . . . rr_2mce 1
. 19 . 5733 . 1 1 3 GLY HA2 H -12.861 4.308 -0.545 . . . 1.0 . . . . . . . . . . . . A . 3 GLY HA2 . . . . . . . . . rr_2mce 1
. 19 . 5734 . 1 1 3 GLY HA3 H -12.889 5.734 -1.564 . . . 1.0 . . . . . . . . . . . . A . 3 GLY HA3 . . . . . . . . . rr_2mce 1
. 19 . 5735 . 1 1 3 GLY N N -13.827 5.964 0.288 . . . 1.0 . . . . . . . . . . . . A . 3 GLY N . . . . . . . . . rr_2mce 1
. 19 . 5736 . 1 1 3 GLY O O -10.372 5.407 -0.580 . . . 1.0 . . . . . . . . . . . . A . 3 GLY O . . . . . . . . . rr_2mce 1
. 19 . 5737 . 1 1 4 HIS C C -9.390 5.824 2.221 . . . 1.0 . . . . . . . . . . . . A . 4 HIS C . . . . . . . . . rr_2mce 1
. 19 . 5738 . 1 1 4 HIS CA C -10.164 7.023 1.672 . . . 1.0 . . . . . . . . . . . . A . 4 HIS CA . . . . . . . . . rr_2mce 1
. 19 . 5739 . 1 1 4 HIS CB C -10.441 8.088 2.736 . . . 1.0 . . . . . . . . . . . . A . 4 HIS CB . . . . . . . . . rr_2mce 1
. 19 . 5740 . 1 1 4 HIS CD2 C -12.140 6.611 4.064 . . . 1.0 . . . . . . . . . . . . A . 4 HIS CD2 . . . . . . . . . rr_2mce 1
. 19 . 5741 . 1 1 4 HIS CE1 C -13.431 8.214 4.808 . . . 1.0 . . . . . . . . . . . . A . 4 HIS CE1 . . . . . . . . . rr_2mce 1
. 19 . 5742 . 1 1 4 HIS CG C -11.641 7.794 3.601 . . . 1.0 . . . . . . . . . . . . A . 4 HIS CG . . . . . . . . . rr_2mce 1
. 19 . 5743 . 1 1 4 HIS H H -12.237 6.877 1.522 . . . 1.0 . . . . . . . . . . . . A . 4 HIS H . . . . . . . . . rr_2mce 1
. 19 . 5744 . 1 1 4 HIS HA H -9.581 7.489 0.878 . . . 1.0 . . . . . . . . . . . . A . 4 HIS HA . . . . . . . . . rr_2mce 1
. 19 . 5745 . 1 1 4 HIS HB2 H -9.561 8.186 3.373 . . . 1.0 . . . . . . . . . . . . A . 4 HIS HB2 . . . . . . . . . rr_2mce 1
. 19 . 5746 . 1 1 4 HIS HB3 H -10.587 9.049 2.243 . . . 1.0 . . . . . . . . . . . . A . 4 HIS HB3 . . . . . . . . . rr_2mce 1
. 19 . 5747 . 1 1 4 HIS HD1 H -12.377 9.766 3.921 . . . 1.0 . . . . . . . . . . . . A . 4 HIS HD1 . . . . . . . . . rr_2mce 1
. 19 . 5748 . 1 1 4 HIS HD2 H -11.722 5.624 3.868 . . . 1.0 . . . . . . . . . . . . A . 4 HIS HD2 . . . . . . . . . rr_2mce 1
. 19 . 5749 . 1 1 4 HIS HE1 H -14.240 8.730 5.322 . . . 1.0 . . . . . . . . . . . . A . 4 HIS HE1 . . . . . . . . . rr_2mce 1
. 19 . 5750 . 1 1 4 HIS N N -11.404 6.566 1.066 . . . 1.0 . . . . . . . . . . . . A . 4 HIS N . . . . . . . . . rr_2mce 1
. 19 . 5751 . 1 1 4 HIS ND1 N -12.477 8.785 4.086 . . . 1.0 . . . . . . . . . . . . A . 4 HIS ND1 . . . . . . . . . rr_2mce 1
. 19 . 5752 . 1 1 4 HIS NE2 N -13.219 6.866 4.792 . . . 1.0 . . . . . . . . . . . . A . 4 HIS NE2 . . . . . . . . . rr_2mce 1
. 19 . 5753 . 1 1 4 HIS O O -8.199 5.930 2.514 . . . 1.0 . . . . . . . . . . . . A . 4 HIS O . . . . . . . . . rr_2mce 1
. 19 . 5754 . 1 1 5 GLY C C -8.705 2.768 1.755 . . . 1.0 . . . . . . . . . . . . A . 5 GLY C . . . . . . . . . rr_2mce 1
. 19 . 5755 . 1 1 5 GLY CA C -9.488 3.491 2.853 . . . 1.0 . . . . . . . . . . . . A . 5 GLY CA . . . . . . . . . rr_2mce 1
. 19 . 5756 . 1 1 5 GLY H H -11.063 4.631 2.104 . . . 1.0 . . . . . . . . . . . . A . 5 GLY H . . . . . . . . . rr_2mce 1
. 19 . 5757 . 1 1 5 GLY HA2 H -8.822 3.731 3.681 . . . 1.0 . . . . . . . . . . . . A . 5 GLY HA2 . . . . . . . . . rr_2mce 1
. 19 . 5758 . 1 1 5 GLY HA3 H -10.262 2.832 3.246 . . . 1.0 . . . . . . . . . . . . A . 5 GLY HA3 . . . . . . . . . rr_2mce 1
. 19 . 5759 . 1 1 5 GLY N N -10.095 4.709 2.344 . . . 1.0 . . . . . . . . . . . . A . 5 GLY N . . . . . . . . . rr_2mce 1
. 19 . 5760 . 1 1 5 GLY O O -7.886 1.897 2.042 . . . 1.0 . . . . . . . . . . . . A . 5 GLY O . . . . . . . . . rr_2mce 1
. 19 . 5761 . 1 1 6 GLN C C -6.862 3.027 -0.693 . . . 1.0 . . . . . . . . . . . . A . 6 GLN C . . . . . . . . . rr_2mce 1
. 19 . 5762 . 1 1 6 GLN CA C -8.316 2.558 -0.623 . . . 1.0 . . . . . . . . . . . . A . 6 GLN CA . . . . . . . . . rr_2mce 1
. 19 . 5763 . 1 1 6 GLN CB C -9.059 2.878 -1.923 . . . 1.0 . . . . . . . . . . . . A . 6 GLN CB . . . . . . . . . rr_2mce 1
. 19 . 5764 . 1 1 6 GLN CD C -9.860 0.496 -2.128 . . . 1.0 . . . . . . . . . . . . A . 6 GLN CD . . . . . . . . . rr_2mce 1
. 19 . 5765 . 1 1 6 GLN CG C -10.276 1.968 -2.096 . . . 1.0 . . . . . . . . . . . . A . 6 GLN CG . . . . . . . . . rr_2mce 1
. 19 . 5766 . 1 1 6 GLN H H -9.652 3.867 0.294 . . . 1.0 . . . . . . . . . . . . A . 6 GLN H . . . . . . . . . rr_2mce 1
. 19 . 5767 . 1 1 6 GLN HA H -8.350 1.484 -0.448 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HA . . . . . . . . . rr_2mce 1
. 19 . 5768 . 1 1 6 GLN HB2 H -9.377 3.921 -1.916 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HB2 . . . . . . . . . rr_2mce 1
. 19 . 5769 . 1 1 6 GLN HB3 H -8.384 2.756 -2.770 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HB3 . . . . . . . . . rr_2mce 1
. 19 . 5770 . 1 1 6 GLN HE21 H -11.058 0.172 -0.529 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HE21 . . . . . . . . . rr_2mce 1
. 19 . 5771 . 1 1 6 GLN HE22 H -10.215 -1.222 -1.117 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HE22 . . . . . . . . . rr_2mce 1
. 19 . 5772 . 1 1 6 GLN HG2 H -10.978 2.134 -1.279 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HG2 . . . . . . . . . rr_2mce 1
. 19 . 5773 . 1 1 6 GLN HG3 H -10.795 2.222 -3.020 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HG3 . . . . . . . . . rr_2mce 1
. 19 . 5774 . 1 1 6 GLN N N -8.984 3.158 0.519 . . . 1.0 . . . . . . . . . . . . A . 6 GLN N . . . . . . . . . rr_2mce 1
. 19 . 5775 . 1 1 6 GLN NE2 N -10.425 -0.247 -1.179 . . . 1.0 . . . . . . . . . . . . A . 6 GLN NE2 . . . . . . . . . rr_2mce 1
. 19 . 5776 . 1 1 6 GLN O O -6.019 2.360 -1.292 . . . 1.0 . . . . . . . . . . . . A . 6 GLN O . . . . . . . . . rr_2mce 1
. 19 . 5777 . 1 1 6 GLN OE1 O -9.078 0.062 -2.958 . . . 1.0 . . . . . . . . . . . . A . 6 GLN OE1 . . . . . . . . . rr_2mce 1
. 19 . 5778 . 1 1 7 ILE C C -4.350 3.832 0.760 . . . 1.0 . . . . . . . . . . . . A . 7 ILE C . . . . . . . . . rr_2mce 1
. 19 . 5779 . 1 1 7 ILE CA C -5.273 4.737 -0.059 . . . 1.0 . . . . . . . . . . . . A . 7 ILE CA . . . . . . . . . rr_2mce 1
. 19 . 5780 . 1 1 7 ILE CB C -5.309 6.185 0.434 . . . 1.0 . . . . . . . . . . . . A . 7 ILE CB . . . . . . . . . rr_2mce 1
. 19 . 5781 . 1 1 7 ILE CD1 C -5.462 7.401 -1.770 . . . 1.0 . . . . . . . . . . . . A . 7 ILE CD1 . . . . . . . . . rr_2mce 1
. 19 . 5782 . 1 1 7 ILE CG1 C -6.188 7.051 -0.470 . . . 1.0 . . . . . . . . . . . . A . 7 ILE CG1 . . . . . . . . . rr_2mce 1
. 19 . 5783 . 1 1 7 ILE CG2 C -3.894 6.753 0.572 . . . 1.0 . . . . . . . . . . . . A . 7 ILE CG2 . . . . . . . . . rr_2mce 1
. 19 . 5784 . 1 1 7 ILE H H -7.302 4.708 0.410 . . . 1.0 . . . . . . . . . . . . A . 7 ILE H . . . . . . . . . rr_2mce 1
. 19 . 5785 . 1 1 7 ILE HA H -4.914 4.756 -1.088 . . . 1.0 . . . . . . . . . . . . A . 7 ILE HA . . . . . . . . . rr_2mce 1
. 19 . 5786 . 1 1 7 ILE HB H -5.758 6.196 1.428 . . . 1.0 . . . . . . . . . . . . A . 7 ILE HB . . . . . . . . . rr_2mce 1
. 19 . 5787 . 1 1 7 ILE HD11 H -4.954 8.359 -1.656 . . . 1.0 . . . . . . . . . . . . A . 7 ILE HD11 . . . . . . . . . rr_2mce 1
. 19 . 5788 . 1 1 7 ILE HD12 H -4.728 6.626 -1.996 . . . 1.0 . . . . . . . . . . . . A . 7 ILE HD12 . . . . . . . . . rr_2mce 1
. 19 . 5789 . 1 1 7 ILE HD13 H -6.184 7.467 -2.584 . . . 1.0 . . . . . . . . . . . . A . 7 ILE HD13 . . . . . . . . . rr_2mce 1
. 19 . 5790 . 1 1 7 ILE HG12 H -7.114 6.522 -0.698 . . . 1.0 . . . . . . . . . . . . A . 7 ILE HG12 . . . . . . . . . rr_2mce 1
. 19 . 5791 . 1 1 7 ILE HG13 H -6.464 7.966 0.054 . . . 1.0 . . . . . . . . . . . . A . 7 ILE HG13 . . . . . . . . . rr_2mce 1
. 19 . 5792 . 1 1 7 ILE HG21 H -3.250 6.011 1.045 . . . 1.0 . . . . . . . . . . . . A . 7 ILE HG21 . . . . . . . . . rr_2mce 1
. 19 . 5793 . 1 1 7 ILE HG22 H -3.504 6.997 -0.416 . . . 1.0 . . . . . . . . . . . . A . 7 ILE HG22 . . . . . . . . . rr_2mce 1
. 19 . 5794 . 1 1 7 ILE HG23 H -3.923 7.653 1.185 . . . 1.0 . . . . . . . . . . . . A . 7 ILE HG23 . . . . . . . . . rr_2mce 1
. 19 . 5795 . 1 1 7 ILE N N -6.611 4.171 -0.074 . . . 1.0 . . . . . . . . . . . . A . 7 ILE N . . . . . . . . . rr_2mce 1
. 19 . 5796 . 1 1 7 ILE O O -3.133 3.858 0.584 . . . 1.0 . . . . . . . . . . . . A . 7 ILE O . . . . . . . . . rr_2mce 1
. 19 . 5797 . 1 1 8 SER C C -3.607 1.020 1.634 . . . 1.0 . . . . . . . . . . . . A . 8 SER C . . . . . . . . . rr_2mce 1
. 19 . 5798 . 1 1 8 SER CA C -4.214 2.139 2.482 . . . 1.0 . . . . . . . . . . . . A . 8 SER CA . . . . . . . . . rr_2mce 1
. 19 . 5799 . 1 1 8 SER CB C -5.100 1.551 3.581 . . . 1.0 . . . . . . . . . . . . A . 8 SER CB . . . . . . . . . rr_2mce 1
. 19 . 5800 . 1 1 8 SER H H -5.955 3.036 1.773 . . . 1.0 . . . . . . . . . . . . A . 8 SER H . . . . . . . . . rr_2mce 1
. 19 . 5801 . 1 1 8 SER HA H -3.429 2.745 2.934 . . . 1.0 . . . . . . . . . . . . A . 8 SER HA . . . . . . . . . rr_2mce 1
. 19 . 5802 . 1 1 8 SER HB2 H -6.125 1.902 3.448 . . . 1.0 . . . . . . . . . . . . A . 8 SER HB2 . . . . . . . . . rr_2mce 1
. 19 . 5803 . 1 1 8 SER HB3 H -5.122 0.465 3.488 . . . 1.0 . . . . . . . . . . . . A . 8 SER HB3 . . . . . . . . . rr_2mce 1
. 19 . 5804 . 1 1 8 SER HG H -3.649 2.008 4.880 . . . 1.0 . . . . . . . . . . . . A . 8 SER HG . . . . . . . . . rr_2mce 1
. 19 . 5805 . 1 1 8 SER N N -4.965 3.051 1.636 . . . 1.0 . . . . . . . . . . . . A . 8 SER N . . . . . . . . . rr_2mce 1
. 19 . 5806 . 1 1 8 SER O O -2.640 0.380 2.045 . . . 1.0 . . . . . . . . . . . . A . 8 SER O . . . . . . . . . rr_2mce 1
. 19 . 5807 . 1 1 8 SER OG O -4.643 1.906 4.883 . . . 1.0 . . . . . . . . . . . . A . 8 SER OG . . . . . . . . . rr_2mce 1
. 19 . 5808 . 1 1 9 HIS C C -2.346 0.163 -0.975 . . . 1.0 . . . . . . . . . . . . A . 9 HIS C . . . . . . . . . rr_2mce 1
. 19 . 5809 . 1 1 9 HIS CA C -3.729 -0.215 -0.442 . . . 1.0 . . . . . . . . . . . . A . 9 HIS CA . . . . . . . . . rr_2mce 1
. 19 . 5810 . 1 1 9 HIS CB C -4.747 -0.461 -1.558 . . . 1.0 . . . . . . . . . . . . A . 9 HIS CB . . . . . . . . . rr_2mce 1
. 19 . 5811 . 1 1 9 HIS CD2 C -4.518 -3.056 -1.347 . . . 1.0 . . . . . . . . . . . . A . 9 HIS CD2 . . . . . . . . . rr_2mce 1
. 19 . 5812 . 1 1 9 HIS CE1 C -5.259 -3.597 -3.332 . . . 1.0 . . . . . . . . . . . . A . 9 HIS CE1 . . . . . . . . . rr_2mce 1
. 19 . 5813 . 1 1 9 HIS CG C -4.838 -1.902 -1.999 . . . 1.0 . . . . . . . . . . . . A . 9 HIS CG . . . . . . . . . rr_2mce 1
. 19 . 5814 . 1 1 9 HIS H H -4.986 1.341 0.140 . . . 1.0 . . . . . . . . . . . . A . 9 HIS H . . . . . . . . . rr_2mce 1
. 19 . 5815 . 1 1 9 HIS HA H -3.646 -1.132 0.140 . . . 1.0 . . . . . . . . . . . . A . 9 HIS HA . . . . . . . . . rr_2mce 1
. 19 . 5816 . 1 1 9 HIS HB2 H -5.729 -0.134 -1.219 . . . 1.0 . . . . . . . . . . . . A . 9 HIS HB2 . . . . . . . . . rr_2mce 1
. 19 . 5817 . 1 1 9 HIS HB3 H -4.485 0.155 -2.418 . . . 1.0 . . . . . . . . . . . . A . 9 HIS HB3 . . . . . . . . . rr_2mce 1
. 19 . 5818 . 1 1 9 HIS HD1 H -5.615 -1.655 -3.966 . . . 1.0 . . . . . . . . . . . . A . 9 HIS HD1 . . . . . . . . . rr_2mce 1
. 19 . 5819 . 1 1 9 HIS HD2 H -4.119 -3.126 -0.334 . . . 1.0 . . . . . . . . . . . . A . 9 HIS HD2 . . . . . . . . . rr_2mce 1
. 19 . 5820 . 1 1 9 HIS HE1 H -5.560 -4.196 -4.192 . . . 1.0 . . . . . . . . . . . . A . 9 HIS HE1 . . . . . . . . . rr_2mce 1
. 19 . 5821 . 1 1 9 HIS N N -4.200 0.817 0.466 . . . 1.0 . . . . . . . . . . . . A . 9 HIS N . . . . . . . . . rr_2mce 1
. 19 . 5822 . 1 1 9 HIS ND1 N -5.302 -2.276 -3.248 . . . 1.0 . . . . . . . . . . . . A . 9 HIS ND1 . . . . . . . . . rr_2mce 1
. 19 . 5823 . 1 1 9 HIS NE2 N -4.774 -4.079 -2.152 . . . 1.0 . . . . . . . . . . . . A . 9 HIS NE2 . . . . . . . . . rr_2mce 1
. 19 . 5824 . 1 1 9 HIS O O -1.603 -0.696 -1.449 . . . 1.0 . . . . . . . . . . . . A . 9 HIS O . . . . . . . . . rr_2mce 1
. 19 . 5825 . 1 1 10 LYS C C 0.348 1.448 -0.421 . . . 1.0 . . . . . . . . . . . . A . 10 LYS C . . . . . . . . . rr_2mce 1
. 19 . 5826 . 1 1 10 LYS CA C -0.760 1.952 -1.348 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CA . . . . . . . . . rr_2mce 1
. 19 . 5827 . 1 1 10 LYS CB C -0.800 3.474 -1.487 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CB . . . . . . . . . rr_2mce 1
. 19 . 5828 . 1 1 10 LYS CD C -0.828 4.810 -3.626 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CD . . . . . . . . . rr_2mce 1
. 19 . 5829 . 1 1 10 LYS CE C -0.078 5.111 -4.925 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CE . . . . . . . . . rr_2mce 1
. 19 . 5830 . 1 1 10 LYS CG C 0.016 3.936 -2.695 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CG . . . . . . . . . rr_2mce 1
. 19 . 5831 . 1 1 10 LYS H H -2.651 2.141 -0.495 . . . 1.0 . . . . . . . . . . . . A . 10 LYS H . . . . . . . . . rr_2mce 1
. 19 . 5832 . 1 1 10 LYS HA H -0.591 1.541 -2.343 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HA . . . . . . . . . rr_2mce 1
. 19 . 5833 . 1 1 10 LYS HB2 H -1.832 3.807 -1.592 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HB2 . . . . . . . . . rr_2mce 1
. 19 . 5834 . 1 1 10 LYS HB3 H -0.408 3.937 -0.581 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HB3 . . . . . . . . . rr_2mce 1
. 19 . 5835 . 1 1 10 LYS HD2 H -1.766 4.304 -3.853 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HD2 . . . . . . . . . rr_2mce 1
. 19 . 5836 . 1 1 10 LYS HD3 H -1.082 5.742 -3.124 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HD3 . . . . . . . . . rr_2mce 1
. 19 . 5837 . 1 1 10 LYS HE2 H 0.455 6.057 -4.833 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HE2 . . . . . . . . . rr_2mce 1
. 19 . 5838 . 1 1 10 LYS HE3 H 0.670 4.340 -5.107 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HE3 . . . . . . . . . rr_2mce 1
. 19 . 5839 . 1 1 10 LYS HG2 H 0.888 4.495 -2.358 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HG2 . . . . . . . . . rr_2mce 1
. 19 . 5840 . 1 1 10 LYS HG3 H 0.386 3.068 -3.242 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HG3 . . . . . . . . . rr_2mce 1
. 19 . 5841 . 1 1 10 LYS HZ1 H -0.624 5.666 -6.858 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HZ1 . . . . . . . . . rr_2mce 1
. 19 . 5842 . 1 1 10 LYS HZ3 H -1.879 5.655 -5.821 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HZ3 . . . . . . . . . rr_2mce 1
. 19 . 5843 . 1 1 10 LYS N N -2.041 1.449 -0.880 . . . 1.0 . . . . . . . . . . . . A . 10 LYS N . . . . . . . . . rr_2mce 1
. 19 . 5844 . 1 1 10 LYS NZ N -1.020 5.174 -6.065 . . . 1.0 . . . . . . . . . . . . A . 10 LYS NZ . . . . . . . . . rr_2mce 1
. 19 . 5845 . 1 1 10 LYS O O 1.514 1.393 -0.812 . . . 1.0 . . . . . . . . . . . . A . 10 LYS O . . . . . . . . . rr_2mce 1
. 19 . 5846 . 1 1 11 ARG C C 1.375 -0.805 1.388 . . . 1.0 . . . . . . . . . . . . A . 11 ARG C . . . . . . . . . rr_2mce 1
. 19 . 5847 . 1 1 11 ARG CA C 0.891 0.594 1.776 . . . 1.0 . . . . . . . . . . . . A . 11 ARG CA . . . . . . . . . rr_2mce 1
. 19 . 5848 . 1 1 11 ARG CB C 0.259 0.540 3.168 . . . 1.0 . . . . . . . . . . . . A . 11 ARG CB . . . . . . . . . rr_2mce 1
. 19 . 5849 . 1 1 11 ARG CD C 1.144 2.734 4.040 . . . 1.0 . . . . . . . . . . . . A . 11 ARG CD . . . . . . . . . rr_2mce 1
. 19 . 5850 . 1 1 11 ARG CG C -0.108 1.942 3.658 . . . 1.0 . . . . . . . . . . . . A . 11 ARG CG . . . . . . . . . rr_2mce 1
. 19 . 5851 . 1 1 11 ARG CZ C 0.818 4.878 2.796 . . . 1.0 . . . . . . . . . . . . A . 11 ARG CZ . . . . . . . . . rr_2mce 1
. 19 . 5852 . 1 1 11 ARG H H -1.002 1.138 1.102 . . . 1.0 . . . . . . . . . . . . A . 11 ARG H . . . . . . . . . rr_2mce 1
. 19 . 5853 . 1 1 11 ARG HA H 1.712 1.311 1.762 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HA . . . . . . . . . rr_2mce 1
. 19 . 5854 . 1 1 11 ARG HB2 H -0.634 -0.086 3.142 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HB2 . . . . . . . . . rr_2mce 1
. 19 . 5855 . 1 1 11 ARG HB3 H 0.952 0.076 3.869 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HB3 . . . . . . . . . rr_2mce 1
. 19 . 5856 . 1 1 11 ARG HD2 H 1.453 2.474 5.053 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HD2 . . . . . . . . . rr_2mce 1
. 19 . 5857 . 1 1 11 ARG HD3 H 1.968 2.471 3.378 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HD3 . . . . . . . . . rr_2mce 1
. 19 . 5858 . 1 1 11 ARG HE H 0.714 4.685 4.806 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HE . . . . . . . . . rr_2mce 1
. 19 . 5859 . 1 1 11 ARG HG2 H -0.654 2.473 2.878 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HG2 . . . . . . . . . rr_2mce 1
. 19 . 5860 . 1 1 11 ARG HG3 H -0.773 1.868 4.518 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HG3 . . . . . . . . . rr_2mce 1
. 19 . 5861 . 1 1 11 ARG HH11 H 1.210 3.274 1.594 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HH11 . . . . . . . . . rr_2mce 1
. 19 . 5862 . 1 1 11 ARG HH12 H 0.979 4.775 0.763 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HH12 . . . . . . . . . rr_2mce 1
. 19 . 5863 . 1 1 11 ARG HH22 H 0.509 6.758 2.025 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HH22 . . . . . . . . . rr_2mce 1
. 19 . 5864 . 1 1 11 ARG N N -0.053 1.091 0.791 . . . 1.0 . . . . . . . . . . . . A . 11 ARG N . . . . . . . . . rr_2mce 1
. 19 . 5865 . 1 1 11 ARG NE N 0.869 4.186 3.954 . . . 1.0 . . . . . . . . . . . . A . 11 ARG NE . . . . . . . . . rr_2mce 1
. 19 . 5866 . 1 1 11 ARG NH1 N 1.019 4.256 1.615 . . . 1.0 . . . . . . . . . . . . A . 11 ARG NH1 . . . . . . . . . rr_2mce 1
. 19 . 5867 . 1 1 11 ARG NH2 N 0.565 6.173 2.836 . . . 1.0 . . . . . . . . . . . . A . 11 ARG NH2 . . . . . . . . . rr_2mce 1
. 19 . 5868 . 1 1 11 ARG O O 2.440 -1.241 1.824 . . . 1.0 . . . . . . . . . . . . A . 11 ARG O . . . . . . . . . rr_2mce 1
. 19 . 5869 . 1 1 12 HIS C C 2.105 -2.752 -0.820 . . . 1.0 . . . . . . . . . . . . A . 12 HIS C . . . . . . . . . rr_2mce 1
. 19 . 5870 . 1 1 12 HIS CA C 0.902 -2.811 0.123 . . . 1.0 . . . . . . . . . . . . A . 12 HIS CA . . . . . . . . . rr_2mce 1
. 19 . 5871 . 1 1 12 HIS CB C -0.315 -3.489 -0.510 . . . 1.0 . . . . . . . . . . . . A . 12 HIS CB . . . . . . . . . rr_2mce 1
. 19 . 5872 . 1 1 12 HIS CD2 C -1.592 -5.383 0.759 . . . 1.0 . . . . . . . . . . . . A . 12 HIS CD2 . . . . . . . . . rr_2mce 1
. 19 . 5873 . 1 1 12 HIS CE1 C -2.775 -4.119 2.097 . . . 1.0 . . . . . . . . . . . . A . 12 HIS CE1 . . . . . . . . . rr_2mce 1
. 19 . 5874 . 1 1 12 HIS CG C -1.277 -4.084 0.490 . . . 1.0 . . . . . . . . . . . . A . 12 HIS CG . . . . . . . . . rr_2mce 1
. 19 . 5875 . 1 1 12 HIS H H -0.294 -1.109 0.224 . . . 1.0 . . . . . . . . . . . . A . 12 HIS H . . . . . . . . . rr_2mce 1
. 19 . 5876 . 1 1 12 HIS HA H 1.175 -3.381 1.011 . . . 1.0 . . . . . . . . . . . . A . 12 HIS HA . . . . . . . . . rr_2mce 1
. 19 . 5877 . 1 1 12 HIS HB2 H -0.847 -2.759 -1.121 . . . 1.0 . . . . . . . . . . . . A . 12 HIS HB2 . . . . . . . . . rr_2mce 1
. 19 . 5878 . 1 1 12 HIS HB3 H 0.029 -4.276 -1.181 . . . 1.0 . . . . . . . . . . . . A . 12 HIS HB3 . . . . . . . . . rr_2mce 1
. 19 . 5879 . 1 1 12 HIS HD1 H -2.034 -2.312 1.396 . . . 1.0 . . . . . . . . . . . . A . 12 HIS HD1 . . . . . . . . . rr_2mce 1
. 19 . 5880 . 1 1 12 HIS HD2 H -1.172 -6.257 0.262 . . . 1.0 . . . . . . . . . . . . A . 12 HIS HD2 . . . . . . . . . rr_2mce 1
. 19 . 5881 . 1 1 12 HIS HE1 H -3.480 -3.812 2.869 . . . 1.0 . . . . . . . . . . . . A . 12 HIS HE1 . . . . . . . . . rr_2mce 1
. 19 . 5882 . 1 1 12 HIS N N 0.569 -1.471 0.574 . . . 1.0 . . . . . . . . . . . . A . 12 HIS N . . . . . . . . . rr_2mce 1
. 19 . 5883 . 1 1 12 HIS ND1 N -2.039 -3.311 1.349 . . . 1.0 . . . . . . . . . . . . A . 12 HIS ND1 . . . . . . . . . rr_2mce 1
. 19 . 5884 . 1 1 12 HIS NE2 N -2.496 -5.404 1.731 . . . 1.0 . . . . . . . . . . . . A . 12 HIS NE2 . . . . . . . . . rr_2mce 1
. 19 . 5885 . 1 1 12 HIS O O 2.817 -3.741 -0.987 . . . 1.0 . . . . . . . . . . . . A . 12 HIS O . . . . . . . . . rr_2mce 1
. 19 . 5886 . 1 1 13 LYS C C 4.714 -1.356 -1.552 . . . 1.0 . . . . . . . . . . . . A . 13 LYS C . . . . . . . . . rr_2mce 1
. 19 . 5887 . 1 1 13 LYS CA C 3.400 -1.380 -2.335 . . . 1.0 . . . . . . . . . . . . A . 13 LYS CA . . . . . . . . . rr_2mce 1
. 19 . 5888 . 1 1 13 LYS CB C 3.167 -0.129 -3.185 . . . 1.0 . . . . . . . . . . . . A . 13 LYS CB . . . . . . . . . rr_2mce 1
. 19 . 5889 . 1 1 13 LYS CD C 0.895 -0.305 -4.263 . . . 1.0 . . . . . . . . . . . . A . 13 LYS CD . . . . . . . . . rr_2mce 1
. 19 . 5890 . 1 1 13 LYS CE C 0.210 0.114 -5.566 . . . 1.0 . . . . . . . . . . . . A . 13 LYS CE . . . . . . . . . rr_2mce 1
. 19 . 5891 . 1 1 13 LYS CG C 2.402 -0.471 -4.465 . . . 1.0 . . . . . . . . . . . . A . 13 LYS CG . . . . . . . . . rr_2mce 1
. 19 . 5892 . 1 1 13 LYS H H 1.712 -0.782 -1.272 . . . 1.0 . . . . . . . . . . . . A . 13 LYS H . . . . . . . . . rr_2mce 1
. 19 . 5893 . 1 1 13 LYS HA H 3.418 -2.233 -3.013 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HA . . . . . . . . . rr_2mce 1
. 19 . 5894 . 1 1 13 LYS HB2 H 2.608 0.608 -2.609 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HB2 . . . . . . . . . rr_2mce 1
. 19 . 5895 . 1 1 13 LYS HB3 H 4.124 0.325 -3.440 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HB3 . . . . . . . . . rr_2mce 1
. 19 . 5896 . 1 1 13 LYS HD2 H 0.466 -1.242 -3.909 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HD2 . . . . . . . . . rr_2mce 1
. 19 . 5897 . 1 1 13 LYS HD3 H 0.706 0.442 -3.493 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HD3 . . . . . . . . . rr_2mce 1
. 19 . 5898 . 1 1 13 LYS HE2 H -0.704 0.664 -5.343 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HE2 . . . . . . . . . rr_2mce 1
. 19 . 5899 . 1 1 13 LYS HE3 H 0.860 0.788 -6.124 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HE3 . . . . . . . . . rr_2mce 1
. 19 . 5900 . 1 1 13 LYS HG2 H 2.737 0.174 -5.277 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HG2 . . . . . . . . . rr_2mce 1
. 19 . 5901 . 1 1 13 LYS HG3 H 2.622 -1.497 -4.762 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HG3 . . . . . . . . . rr_2mce 1
. 19 . 5902 . 1 1 13 LYS HZ1 H -0.798 -1.670 -5.947 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HZ1 . . . . . . . . . rr_2mce 1
. 19 . 5903 . 1 1 13 LYS HZ3 H 0.711 -1.648 -6.560 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HZ3 . . . . . . . . . rr_2mce 1
. 19 . 5904 . 1 1 13 LYS N N 2.295 -1.582 -1.412 . . . 1.0 . . . . . . . . . . . . A . 13 LYS N . . . . . . . . . rr_2mce 1
. 19 . 5905 . 1 1 13 LYS NZ N -0.108 -1.074 -6.391 . . . 1.0 . . . . . . . . . . . . A . 13 LYS NZ . . . . . . . . . rr_2mce 1
. 19 . 5906 . 1 1 13 LYS O O 5.777 -1.628 -2.108 . . . 1.0 . . . . . . . . . . . . A . 13 LYS O . . . . . . . . . rr_2mce 1
. 19 . 5907 . 1 1 14 THR C C 6.239 -2.375 0.951 . . . 1.0 . . . . . . . . . . . . A . 14 THR C . . . . . . . . . rr_2mce 1
. 19 . 5908 . 1 1 14 THR CA C 5.764 -0.966 0.592 . . . 1.0 . . . . . . . . . . . . A . 14 THR CA . . . . . . . . . rr_2mce 1
. 19 . 5909 . 1 1 14 THR CB C 5.402 -0.117 1.812 . . . 1.0 . . . . . . . . . . . . A . 14 THR CB . . . . . . . . . rr_2mce 1
. 19 . 5910 . 1 1 14 THR CG2 C 6.567 0.028 2.791 . . . 1.0 . . . . . . . . . . . . A . 14 THR CG2 . . . . . . . . . rr_2mce 1
. 19 . 5911 . 1 1 14 THR H H 3.730 -0.810 0.171 . . . 1.0 . . . . . . . . . . . . A . 14 THR H . . . . . . . . . rr_2mce 1
. 19 . 5912 . 1 1 14 THR HA H 6.574 -0.486 0.042 . . . 1.0 . . . . . . . . . . . . A . 14 THR HA . . . . . . . . . rr_2mce 1
. 19 . 5913 . 1 1 14 THR HB H 4.519 -0.512 2.313 . . . 1.0 . . . . . . . . . . . . A . 14 THR HB . . . . . . . . . rr_2mce 1
. 19 . 5914 . 1 1 14 THR HG1 H 4.285 1.320 0.979 . . . 1.0 . . . . . . . . . . . . A . 14 THR HG1 . . . . . . . . . rr_2mce 1
. 19 . 5915 . 1 1 14 THR HG21 H 7.503 0.097 2.236 . . . 1.0 . . . . . . . . . . . . A . 14 THR HG21 . . . . . . . . . rr_2mce 1
. 19 . 5916 . 1 1 14 THR HG22 H 6.432 0.929 3.388 . . . 1.0 . . . . . . . . . . . . A . 14 THR HG22 . . . . . . . . . rr_2mce 1
. 19 . 5917 . 1 1 14 THR HG23 H 6.600 -0.841 3.449 . . . 1.0 . . . . . . . . . . . . A . 14 THR HG23 . . . . . . . . . rr_2mce 1
. 19 . 5918 . 1 1 14 THR N N 4.598 -1.028 -0.273 . . . 1.0 . . . . . . . . . . . . A . 14 THR N . . . . . . . . . rr_2mce 1
. 19 . 5919 . 1 1 14 THR O O 7.405 -2.574 1.285 . . . 1.0 . . . . . . . . . . . . A . 14 THR O . . . . . . . . . rr_2mce 1
. 19 . 5920 . 1 1 14 THR OG1 O 5.229 1.196 1.283 . . . 1.0 . . . . . . . . . . . . A . 14 THR OG1 . . . . . . . . . rr_2mce 1
. 19 . 5921 . 1 1 15 ASP C C 6.422 -5.312 0.033 . . . 1.0 . . . . . . . . . . . . A . 15 ASP C . . . . . . . . . rr_2mce 1
. 19 . 5922 . 1 1 15 ASP CA C 5.618 -4.701 1.183 . . . 1.0 . . . . . . . . . . . . A . 15 ASP CA . . . . . . . . . rr_2mce 1
. 19 . 5923 . 1 1 15 ASP CB C 4.340 -5.525 1.355 . . . 1.0 . . . . . . . . . . . . A . 15 ASP CB . . . . . . . . . rr_2mce 1
. 19 . 5924 . 1 1 15 ASP CG C 3.651 -5.371 2.712 . . . 1.0 . . . . . . . . . . . . A . 15 ASP CG . . . . . . . . . rr_2mce 1
. 19 . 5925 . 1 1 15 ASP H H 4.362 -3.145 0.597 . . . 1.0 . . . . . . . . . . . . A . 15 ASP H . . . . . . . . . rr_2mce 1
. 19 . 5926 . 1 1 15 ASP HA H 6.183 -4.665 2.114 . . . 1.0 . . . . . . . . . . . . A . 15 ASP HA . . . . . . . . . rr_2mce 1
. 19 . 5927 . 1 1 15 ASP HB2 H 3.636 -5.243 0.573 . . . 1.0 . . . . . . . . . . . . A . 15 ASP HB2 . . . . . . . . . rr_2mce 1
. 19 . 5928 . 1 1 15 ASP HB3 H 4.581 -6.577 1.204 . . . 1.0 . . . . . . . . . . . . A . 15 ASP HB3 . . . . . . . . . rr_2mce 1
. 19 . 5929 . 1 1 15 ASP HD2 H 2.211 -6.294 3.502 . . . 1.0 . . . . . . . . . . . . A . 15 ASP HD2 . . . . . . . . . rr_2mce 1
. 19 . 5930 . 1 1 15 ASP N N 5.309 -3.316 0.870 . . . 1.0 . . . . . . . . . . . . A . 15 ASP N . . . . . . . . . rr_2mce 1
. 19 . 5931 . 1 1 15 ASP O O 7.210 -6.232 0.243 . . . 1.0 . . . . . . . . . . . . A . 15 ASP O . . . . . . . . . rr_2mce 1
. 19 . 5932 . 1 1 15 ASP OD1 O 3.595 -4.270 3.279 . . . 1.0 . . . . . . . . . . . . A . 15 ASP OD1 . . . . . . . . . rr_2mce 1
. 19 . 5933 . 1 1 15 ASP OD2 O 3.149 -6.457 3.195 . . . 1.0 . . . . . . . . . . . . A . 15 ASP OD2 . . . . . . . . . rr_2mce 1
. 19 . 5934 . 1 1 16 SER C C 8.336 -4.757 -2.337 . . . 1.0 . . . . . . . . . . . . A . 16 SER C . . . . . . . . . rr_2mce 1
. 19 . 5935 . 1 1 16 SER CA C 6.889 -5.254 -2.339 . . . 1.0 . . . . . . . . . . . . A . 16 SER CA . . . . . . . . . rr_2mce 1
. 19 . 5936 . 1 1 16 SER CB C 6.176 -4.806 -3.617 . . . 1.0 . . . . . . . . . . . . A . 16 SER CB . . . . . . . . . rr_2mce 1
. 19 . 5937 . 1 1 16 SER H H 5.553 -4.026 -1.318 . . . 1.0 . . . . . . . . . . . . A . 16 SER H . . . . . . . . . rr_2mce 1
. 19 . 5938 . 1 1 16 SER HA H 6.859 -6.342 -2.270 . . . 1.0 . . . . . . . . . . . . A . 16 SER HA . . . . . . . . . rr_2mce 1
. 19 . 5939 . 1 1 16 SER HB2 H 5.236 -4.321 -3.356 . . . 1.0 . . . . . . . . . . . . A . 16 SER HB2 . . . . . . . . . rr_2mce 1
. 19 . 5940 . 1 1 16 SER HB3 H 6.785 -4.063 -4.130 . . . 1.0 . . . . . . . . . . . . A . 16 SER HB3 . . . . . . . . . rr_2mce 1
. 19 . 5941 . 1 1 16 SER HG H 6.200 -5.661 -5.426 . . . 1.0 . . . . . . . . . . . . A . 16 SER HG . . . . . . . . . rr_2mce 1
. 19 . 5942 . 1 1 16 SER N N 6.196 -4.774 -1.156 . . . 1.0 . . . . . . . . . . . . A . 16 SER N . . . . . . . . . rr_2mce 1
. 19 . 5943 . 1 1 16 SER O O 9.199 -5.341 -2.988 . . . 1.0 . . . . . . . . . . . . A . 16 SER O . . . . . . . . . rr_2mce 1
. 19 . 5944 . 1 1 16 SER OG O 5.919 -5.898 -4.496 . . . 1.0 . . . . . . . . . . . . A . 16 SER OG . . . . . . . . . rr_2mce 1
. 19 . 5945 . 1 1 17 PHE C C 10.789 -3.942 -0.599 . . . 1.0 . . . . . . . . . . . . A . 17 PHE C . . . . . . . . . rr_2mce 1
. 19 . 5946 . 1 1 17 PHE CA C 9.883 -3.098 -1.498 . . . 1.0 . . . . . . . . . . . . A . 17 PHE CA . . . . . . . . . rr_2mce 1
. 19 . 5947 . 1 1 17 PHE CB C 9.718 -1.710 -0.876 . . . 1.0 . . . . . . . . . . . . A . 17 PHE CB . . . . . . . . . rr_2mce 1
. 19 . 5948 . 1 1 17 PHE CD1 C 10.045 -0.315 -2.929 . . . 1.0 . . . . . . . . . . . . A . 17 PHE CD1 . . . . . . . . . rr_2mce 1
. 19 . 5949 . 1 1 17 PHE CD2 C 11.413 0.123 -1.063 . . . 1.0 . . . . . . . . . . . . A . 17 PHE CD2 . . . . . . . . . rr_2mce 1
. 19 . 5950 . 1 1 17 PHE CE1 C 10.694 0.722 -3.649 . . . 1.0 . . . . . . . . . . . . A . 17 PHE CE1 . . . . . . . . . rr_2mce 1
. 19 . 5951 . 1 1 17 PHE CE2 C 12.064 1.160 -1.783 . . . 1.0 . . . . . . . . . . . . A . 17 PHE CE2 . . . . . . . . . rr_2mce 1
. 19 . 5952 . 1 1 17 PHE CG C 10.418 -0.592 -1.651 . . . 1.0 . . . . . . . . . . . . A . 17 PHE CG . . . . . . . . . rr_2mce 1
. 19 . 5953 . 1 1 17 PHE CZ C 11.690 1.439 -3.061 . . . 1.0 . . . . . . . . . . . . A . 17 PHE CZ . . . . . . . . . rr_2mce 1
. 19 . 5954 . 1 1 17 PHE H H 7.848 -3.211 -1.067 . . . 1.0 . . . . . . . . . . . . A . 17 PHE H . . . . . . . . . rr_2mce 1
. 19 . 5955 . 1 1 17 PHE HA H 10.298 -3.069 -2.505 . . . 1.0 . . . . . . . . . . . . A . 17 PHE HA . . . . . . . . . rr_2mce 1
. 19 . 5956 . 1 1 17 PHE HB2 H 8.655 -1.479 -0.805 . . . 1.0 . . . . . . . . . . . . A . 17 PHE HB2 . . . . . . . . . rr_2mce 1
. 19 . 5957 . 1 1 17 PHE HB3 H 10.107 -1.731 0.143 . . . 1.0 . . . . . . . . . . . . A . 17 PHE HB3 . . . . . . . . . rr_2mce 1
. 19 . 5958 . 1 1 17 PHE HD1 H 9.247 -0.888 -3.400 . . . 1.0 . . . . . . . . . . . . A . 17 PHE HD1 . . . . . . . . . rr_2mce 1
. 19 . 5959 . 1 1 17 PHE HD2 H 11.713 -0.099 -0.038 . . . 1.0 . . . . . . . . . . . . A . 17 PHE HD2 . . . . . . . . . rr_2mce 1
. 19 . 5960 . 1 1 17 PHE HE1 H 10.395 0.945 -4.673 . . . 1.0 . . . . . . . . . . . . A . 17 PHE HE1 . . . . . . . . . rr_2mce 1
. 19 . 5961 . 1 1 17 PHE HE2 H 12.861 1.734 -1.311 . . . 1.0 . . . . . . . . . . . . A . 17 PHE HE2 . . . . . . . . . rr_2mce 1
. 19 . 5962 . 1 1 17 PHE HZ H 12.189 2.234 -3.613 . . . 1.0 . . . . . . . . . . . . A . 17 PHE HZ . . . . . . . . . rr_2mce 1
. 19 . 5963 . 1 1 17 PHE N N 8.556 -3.682 -1.594 . . . 1.0 . . . . . . . . . . . . A . 17 PHE N . . . . . . . . . rr_2mce 1
. 19 . 5964 . 1 1 17 PHE O O 12.013 -3.879 -0.709 . . . 1.0 . . . . . . . . . . . . A . 17 PHE O . . . . . . . . . rr_2mce 1
. 19 . 5965 . 1 1 18 VAL C C 11.585 -6.677 0.397 . . . 1.0 . . . . . . . . . . . . A . 18 VAL C . . . . . . . . . rr_2mce 1
. 19 . 5966 . 1 1 18 VAL CA C 10.887 -5.569 1.188 . . . 1.0 . . . . . . . . . . . . A . 18 VAL CA . . . . . . . . . rr_2mce 1
. 19 . 5967 . 1 1 18 VAL CB C 9.945 -6.108 2.266 . . . 1.0 . . . . . . . . . . . . A . 18 VAL CB . . . . . . . . . rr_2mce 1
. 19 . 5968 . 1 1 18 VAL CG1 C 10.733 -6.695 3.440 . . . 1.0 . . . . . . . . . . . . A . 18 VAL CG1 . . . . . . . . . rr_2mce 1
. 19 . 5969 . 1 1 18 VAL CG2 C 8.979 -5.021 2.744 . . . 1.0 . . . . . . . . . . . . A . 18 VAL CG2 . . . . . . . . . rr_2mce 1
. 19 . 5970 . 1 1 18 VAL H H 9.158 -4.759 0.355 . . . 1.0 . . . . . . . . . . . . A . 18 VAL H . . . . . . . . . rr_2mce 1
. 19 . 5971 . 1 1 18 VAL HA H 11.643 -4.955 1.676 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HA . . . . . . . . . rr_2mce 1
. 19 . 5972 . 1 1 18 VAL HB H 9.354 -6.910 1.825 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HB . . . . . . . . . rr_2mce 1
. 19 . 5973 . 1 1 18 VAL HG11 H 10.254 -7.614 3.775 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HG11 . . . . . . . . . rr_2mce 1
. 19 . 5974 . 1 1 18 VAL HG12 H 11.753 -6.913 3.119 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HG12 . . . . . . . . . rr_2mce 1
. 19 . 5975 . 1 1 18 VAL HG13 H 10.755 -5.976 4.258 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HG13 . . . . . . . . . rr_2mce 1
. 19 . 5976 . 1 1 18 VAL HG21 H 8.165 -4.919 2.028 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HG21 . . . . . . . . . rr_2mce 1
. 19 . 5977 . 1 1 18 VAL HG22 H 8.575 -5.298 3.717 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HG22 . . . . . . . . . rr_2mce 1
. 19 . 5978 . 1 1 18 VAL HG23 H 9.512 -4.073 2.828 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HG23 . . . . . . . . . rr_2mce 1
. 19 . 5979 . 1 1 18 VAL N N 10.153 -4.713 0.271 . . . 1.0 . . . . . . . . . . . . A . 18 VAL N . . . . . . . . . rr_2mce 1
. 19 . 5980 . 1 1 18 VAL O O 12.645 -7.156 0.797 . . . 1.0 . . . . . . . . . . . . A . 18 VAL O . . . . . . . . . rr_2mce 1
. 19 . 5981 . 1 1 19 GLY C C 12.554 -7.521 -2.527 . . . 1.0 . . . . . . . . . . . . A . 19 GLY C . . . . . . . . . rr_2mce 1
. 19 . 5982 . 1 1 19 GLY CA C 11.513 -8.093 -1.563 . . . 1.0 . . . . . . . . . . . . A . 19 GLY CA . . . . . . . . . rr_2mce 1
. 19 . 5983 . 1 1 19 GLY H H 10.102 -6.656 -1.030 . . . 1.0 . . . . . . . . . . . . A . 19 GLY H . . . . . . . . . rr_2mce 1
. 19 . 5984 . 1 1 19 GLY HA2 H 11.970 -8.867 -0.946 . . . 1.0 . . . . . . . . . . . . A . 19 GLY HA2 . . . . . . . . . rr_2mce 1
. 19 . 5985 . 1 1 19 GLY HA3 H 10.711 -8.568 -2.127 . . . 1.0 . . . . . . . . . . . . A . 19 GLY HA3 . . . . . . . . . rr_2mce 1
. 19 . 5986 . 1 1 19 GLY N N 10.964 -7.051 -0.712 . . . 1.0 . . . . . . . . . . . . A . 19 GLY N . . . . . . . . . rr_2mce 1
. 19 . 5987 . 1 1 19 GLY O O 13.153 -8.259 -3.309 . . . 1.0 . . . . . . . . . . . . A . 19 GLY O . . . . . . . . . rr_2mce 1
. 19 . 5988 . 1 1 20 LEU C C 15.059 -5.504 -2.607 . . . 1.0 . . . . . . . . . . . . A . 20 LEU C . . . . . . . . . rr_2mce 1
. 19 . 5989 . 1 1 20 LEU CA C 13.694 -5.533 -3.298 . . . 1.0 . . . . . . . . . . . . A . 20 LEU CA . . . . . . . . . rr_2mce 1
. 19 . 5990 . 1 1 20 LEU CB C 13.175 -4.148 -3.690 . . . 1.0 . . . . . . . . . . . . A . 20 LEU CB . . . . . . . . . rr_2mce 1
. 19 . 5991 . 1 1 20 LEU CD1 C 11.751 -4.761 -5.679 . . . 1.0 . . . . . . . . . . . . A . 20 LEU CD1 . . . . . . . . . rr_2mce 1
. 19 . 5992 . 1 1 20 LEU CD2 C 12.745 -2.434 -5.490 . . . 1.0 . . . . . . . . . . . . A . 20 LEU CD2 . . . . . . . . . rr_2mce 1
. 19 . 5993 . 1 1 20 LEU CG C 12.931 -3.922 -5.184 . . . 1.0 . . . . . . . . . . . . A . 20 LEU CG . . . . . . . . . rr_2mce 1
. 19 . 5994 . 1 1 20 LEU H H 12.245 -5.619 -1.805 . . . 1.0 . . . . . . . . . . . . A . 20 LEU H . . . . . . . . . rr_2mce 1
. 19 . 5995 . 1 1 20 LEU HA H 13.783 -6.115 -4.215 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HA . . . . . . . . . rr_2mce 1
. 19 . 5996 . 1 1 20 LEU HB2 H 12.241 -3.968 -3.158 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HB2 . . . . . . . . . rr_2mce 1
. 19 . 5997 . 1 1 20 LEU HB3 H 13.889 -3.402 -3.343 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HB3 . . . . . . . . . rr_2mce 1
. 19 . 5998 . 1 1 20 LEU HD11 H 11.889 -4.995 -6.735 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HD11 . . . . . . . . . rr_2mce 1
. 19 . 5999 . 1 1 20 LEU HD12 H 11.696 -5.686 -5.105 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HD12 . . . . . . . . . rr_2mce 1
. 19 . 6000 . 1 1 20 LEU HD13 H 10.825 -4.198 -5.550 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HD13 . . . . . . . . . rr_2mce 1
. 19 . 6001 . 1 1 20 LEU HD21 H 12.638 -2.296 -6.566 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HD21 . . . . . . . . . rr_2mce 1
. 19 . 6002 . 1 1 20 LEU HD22 H 11.850 -2.068 -4.986 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HD22 . . . . . . . . . rr_2mce 1
. 19 . 6003 . 1 1 20 LEU HD23 H 13.613 -1.879 -5.136 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HD23 . . . . . . . . . rr_2mce 1
. 19 . 6004 . 1 1 20 LEU HG H 13.813 -4.255 -5.729 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HG . . . . . . . . . rr_2mce 1
. 19 . 6005 . 1 1 20 LEU N N 12.737 -6.212 -2.442 . . . 1.0 . . . . . . . . . . . . A . 20 LEU N . . . . . . . . . rr_2mce 1
. 19 . 6006 . 1 1 20 LEU O O 16.091 -5.391 -3.267 . . . 1.0 . . . . . . . . . . . . A . 20 LEU O . . . . . . . . . rr_2mce 1
. 19 . 6007 . 1 1 21 MET C C 17.037 -6.888 -0.701 . . . 1.0 . . . . . . . . . . . . A . 21 MET C . . . . . . . . . rr_2mce 1
. 19 . 6008 . 1 1 21 MET CA C 16.242 -5.597 -0.498 . . . 1.0 . . . . . . . . . . . . A . 21 MET CA . . . . . . . . . rr_2mce 1
. 19 . 6009 . 1 1 21 MET CB C 15.892 -5.438 0.982 . . . 1.0 . . . . . . . . . . . . A . 21 MET CB . . . . . . . . . rr_2mce 1
. 19 . 6010 . 1 1 21 MET CE C 16.893 -1.754 1.099 . . . 1.0 . . . . . . . . . . . . A . 21 MET CE . . . . . . . . . rr_2mce 1
. 19 . 6011 . 1 1 21 MET CG C 15.382 -4.026 1.277 . . . 1.0 . . . . . . . . . . . . A . 21 MET CG . . . . . . . . . rr_2mce 1
. 19 . 6012 . 1 1 21 MET H H 14.176 -5.700 -0.758 . . . 1.0 . . . . . . . . . . . . A . 21 MET H . . . . . . . . . rr_2mce 1
. 19 . 6013 . 1 1 21 MET HA H 16.817 -4.746 -0.864 . . . 1.0 . . . . . . . . . . . . A . 21 MET HA . . . . . . . . . rr_2mce 1
. 19 . 6014 . 1 1 21 MET HB2 H 15.133 -6.168 1.260 . . . 1.0 . . . . . . . . . . . . A . 21 MET HB2 . . . . . . . . . rr_2mce 1
. 19 . 6015 . 1 1 21 MET HB3 H 16.772 -5.645 1.591 . . . 1.0 . . . . . . . . . . . . A . 21 MET HB3 . . . . . . . . . rr_2mce 1
. 19 . 6016 . 1 1 21 MET HE1 H 17.835 -1.910 0.573 . . . 1.0 . . . . . . . . . . . . A . 21 MET HE1 . . . . . . . . . rr_2mce 1
. 19 . 6017 . 1 1 21 MET HE2 H 16.079 -1.692 0.378 . . . 1.0 . . . . . . . . . . . . A . 21 MET HE2 . . . . . . . . . rr_2mce 1
. 19 . 6018 . 1 1 21 MET HE3 H 16.947 -0.826 1.668 . . . 1.0 . . . . . . . . . . . . A . 21 MET HE3 . . . . . . . . . rr_2mce 1
. 19 . 6019 . 1 1 21 MET HG2 H 15.166 -3.506 0.344 . . . 1.0 . . . . . . . . . . . . A . 21 MET HG2 . . . . . . . . . rr_2mce 1
. 19 . 6020 . 1 1 21 MET HG3 H 14.447 -4.077 1.836 . . . 1.0 . . . . . . . . . . . . A . 21 MET HG3 . . . . . . . . . rr_2mce 1
. 19 . 6021 . 1 1 21 MET N N 15.021 -5.609 -1.287 . . . 1.0 . . . . . . . . . . . . A . 21 MET N . . . . . . . . . rr_2mce 1
. 19 . 6022 . 1 1 21 MET O O 17.487 -7.177 -1.808 . . . 1.0 . . . . . . . . . . . . A . 21 MET O . . . . . . . . . rr_2mce 1
. 19 . 6023 . 1 1 21 MET SD S 16.602 -3.119 2.212 . . . 1.0 . . . . . . . . . . . . A . 21 MET SD . . . . . . . . . rr_2mce 1
. 20 . 6024 . 1 1 1 ASP C C -15.250 6.065 0.058 . . . 1.0 . . . . . . . . . . . . A . 1 ASP C . . . . . . . . . rr_2mce 1
. 20 . 6025 . 1 1 1 ASP CA C -16.266 6.964 -0.650 . . . 1.0 . . . . . . . . . . . . A . 1 ASP CA . . . . . . . . . rr_2mce 1
. 20 . 6026 . 1 1 1 ASP CB C -16.708 8.046 0.338 . . . 1.0 . . . . . . . . . . . . A . 1 ASP CB . . . . . . . . . rr_2mce 1
. 20 . 6027 . 1 1 1 ASP CG C -17.731 9.043 -0.210 . . . 1.0 . . . . . . . . . . . . A . 1 ASP CG . . . . . . . . . rr_2mce 1
. 20 . 6028 . 1 1 1 ASP H1 H -18.294 6.544 -0.872 . . . 1.0 . . . . . . . . . . . . A . 1 ASP H1 . . . . . . . . . rr_2mce 1
. 20 . 6029 . 1 1 1 ASP HA H -15.864 7.414 -1.558 . . . 1.0 . . . . . . . . . . . . A . 1 ASP HA . . . . . . . . . rr_2mce 1
. 20 . 6030 . 1 1 1 ASP HB2 H -17.131 7.562 1.218 . . . 1.0 . . . . . . . . . . . . A . 1 ASP HB2 . . . . . . . . . rr_2mce 1
. 20 . 6031 . 1 1 1 ASP HB3 H -15.828 8.597 0.669 . . . 1.0 . . . . . . . . . . . . A . 1 ASP HB3 . . . . . . . . . rr_2mce 1
. 20 . 6032 . 1 1 1 ASP HD2 H -19.091 9.069 1.093 . . . 1.0 . . . . . . . . . . . . A . 1 ASP HD2 . . . . . . . . . rr_2mce 1
. 20 . 6033 . 1 1 1 ASP N N -17.395 6.162 -1.087 . . . 1.0 . . . . . . . . . . . . A . 1 ASP N . . . . . . . . . rr_2mce 1
. 20 . 6034 . 1 1 1 ASP O O -14.385 6.551 0.784 . . . 1.0 . . . . . . . . . . . . A . 1 ASP O . . . . . . . . . rr_2mce 1
. 20 . 6035 . 1 1 1 ASP OD1 O -17.379 9.988 -0.930 . . . 1.0 . . . . . . . . . . . . A . 1 ASP OD1 . . . . . . . . . rr_2mce 1
. 20 . 6036 . 1 1 1 ASP OD2 O -18.953 8.815 0.136 . . . 1.0 . . . . . . . . . . . . A . 1 ASP OD2 . . . . . . . . . rr_2mce 1
. 20 . 6037 . 1 1 2 ALA C C -13.100 3.944 -0.187 . . . 1.0 . . . . . . . . . . . . A . 2 ALA C . . . . . . . . . rr_2mce 1
. 20 . 6038 . 1 1 2 ALA CA C -14.495 3.797 0.426 . . . 1.0 . . . . . . . . . . . . A . 2 ALA CA . . . . . . . . . rr_2mce 1
. 20 . 6039 . 1 1 2 ALA CB C -15.068 2.391 0.241 . . . 1.0 . . . . . . . . . . . . A . 2 ALA CB . . . . . . . . . rr_2mce 1
. 20 . 6040 . 1 1 2 ALA H H -16.096 4.382 -0.772 . . . 1.0 . . . . . . . . . . . . A . 2 ALA H . . . . . . . . . rr_2mce 1
. 20 . 6041 . 1 1 2 ALA HA H -14.438 4.017 1.492 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HA . . . . . . . . . rr_2mce 1
. 20 . 6042 . 1 1 2 ALA HB1 H -14.344 1.770 -0.285 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HB1 . . . . . . . . . rr_2mce 1
. 20 . 6043 . 1 1 2 ALA HB2 H -15.279 1.954 1.217 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HB2 . . . . . . . . . rr_2mce 1
. 20 . 6044 . 1 1 2 ALA HB3 H -15.989 2.447 -0.338 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HB3 . . . . . . . . . rr_2mce 1
. 20 . 6045 . 1 1 2 ALA N N -15.389 4.769 -0.180 . . . 1.0 . . . . . . . . . . . . A . 2 ALA N . . . . . . . . . rr_2mce 1
. 20 . 6046 . 1 1 2 ALA O O -12.147 3.319 0.275 . . . 1.0 . . . . . . . . . . . . A . 2 ALA O . . . . . . . . . rr_2mce 1
. 20 . 6047 . 1 1 3 GLY C C -10.837 5.880 -1.050 . . . 1.0 . . . . . . . . . . . . A . 3 GLY C . . . . . . . . . rr_2mce 1
. 20 . 6048 . 1 1 3 GLY CA C -11.763 5.008 -1.899 . . . 1.0 . . . . . . . . . . . . A . 3 GLY CA . . . . . . . . . rr_2mce 1
. 20 . 6049 . 1 1 3 GLY H H -13.806 5.277 -1.588 . . . 1.0 . . . . . . . . . . . . A . 3 GLY H . . . . . . . . . rr_2mce 1
. 20 . 6050 . 1 1 3 GLY HA2 H -11.278 4.055 -2.112 . . . 1.0 . . . . . . . . . . . . A . 3 GLY HA2 . . . . . . . . . rr_2mce 1
. 20 . 6051 . 1 1 3 GLY HA3 H -11.949 5.493 -2.857 . . . 1.0 . . . . . . . . . . . . A . 3 GLY HA3 . . . . . . . . . rr_2mce 1
. 20 . 6052 . 1 1 3 GLY N N -13.026 4.772 -1.218 . . . 1.0 . . . . . . . . . . . . A . 3 GLY N . . . . . . . . . rr_2mce 1
. 20 . 6053 . 1 1 3 GLY O O -9.719 6.188 -1.460 . . . 1.0 . . . . . . . . . . . . A . 3 GLY O . . . . . . . . . rr_2mce 1
. 20 . 6054 . 1 1 4 HIS C C -9.642 6.202 1.873 . . . 1.0 . . . . . . . . . . . . A . 4 HIS C . . . . . . . . . rr_2mce 1
. 20 . 6055 . 1 1 4 HIS CA C -10.567 7.084 1.030 . . . 1.0 . . . . . . . . . . . . A . 4 HIS CA . . . . . . . . . rr_2mce 1
. 20 . 6056 . 1 1 4 HIS CB C -11.491 7.956 1.883 . . . 1.0 . . . . . . . . . . . . A . 4 HIS CB . . . . . . . . . rr_2mce 1
. 20 . 6057 . 1 1 4 HIS CD2 C -12.456 10.202 0.954 . . . 1.0 . . . . . . . . . . . . A . 4 HIS CD2 . . . . . . . . . rr_2mce 1
. 20 . 6058 . 1 1 4 HIS CE1 C -10.680 11.446 1.239 . . . 1.0 . . . . . . . . . . . . A . 4 HIS CE1 . . . . . . . . . rr_2mce 1
. 20 . 6059 . 1 1 4 HIS CG C -11.483 9.416 1.499 . . . 1.0 . . . . . . . . . . . . A . 4 HIS CG . . . . . . . . . rr_2mce 1
. 20 . 6060 . 1 1 4 HIS H H -12.246 5.998 0.447 . . . 1.0 . . . . . . . . . . . . A . 4 HIS H . . . . . . . . . rr_2mce 1
. 20 . 6061 . 1 1 4 HIS HA H -9.960 7.747 0.413 . . . 1.0 . . . . . . . . . . . . A . 4 HIS HA . . . . . . . . . rr_2mce 1
. 20 . 6062 . 1 1 4 HIS HB2 H -12.510 7.576 1.801 . . . 1.0 . . . . . . . . . . . . A . 4 HIS HB2 . . . . . . . . . rr_2mce 1
. 20 . 6063 . 1 1 4 HIS HB3 H -11.198 7.864 2.929 . . . 1.0 . . . . . . . . . . . . A . 4 HIS HB3 . . . . . . . . . rr_2mce 1
. 20 . 6064 . 1 1 4 HIS HD1 H -9.494 9.946 2.045 . . . 1.0 . . . . . . . . . . . . A . 4 HIS HD1 . . . . . . . . . rr_2mce 1
. 20 . 6065 . 1 1 4 HIS HD2 H -13.463 9.876 0.692 . . . 1.0 . . . . . . . . . . . . A . 4 HIS HD2 . . . . . . . . . rr_2mce 1
. 20 . 6066 . 1 1 4 HIS HE1 H -10.016 12.310 1.240 . . . 1.0 . . . . . . . . . . . . A . 4 HIS HE1 . . . . . . . . . rr_2mce 1
. 20 . 6067 . 1 1 4 HIS N N -11.336 6.253 0.120 . . . 1.0 . . . . . . . . . . . . A . 4 HIS N . . . . . . . . . rr_2mce 1
. 20 . 6068 . 1 1 4 HIS ND1 N -10.375 10.230 1.667 . . . 1.0 . . . . . . . . . . . . A . 4 HIS ND1 . . . . . . . . . rr_2mce 1
. 20 . 6069 . 1 1 4 HIS NE2 N -11.971 11.427 0.799 . . . 1.0 . . . . . . . . . . . . A . 4 HIS NE2 . . . . . . . . . rr_2mce 1
. 20 . 6070 . 1 1 4 HIS O O -8.648 6.680 2.416 . . . 1.0 . . . . . . . . . . . . A . 4 HIS O . . . . . . . . . rr_2mce 1
. 20 . 6071 . 1 1 5 GLY C C -8.065 3.418 1.882 . . . 1.0 . . . . . . . . . . . . A . 5 GLY C . . . . . . . . . rr_2mce 1
. 20 . 6072 . 1 1 5 GLY CA C -9.217 3.977 2.719 . . . 1.0 . . . . . . . . . . . . A . 5 GLY CA . . . . . . . . . rr_2mce 1
. 20 . 6073 . 1 1 5 GLY H H -10.813 4.549 1.507 . . . 1.0 . . . . . . . . . . . . A . 5 GLY H . . . . . . . . . rr_2mce 1
. 20 . 6074 . 1 1 5 GLY HA2 H -8.822 4.461 3.612 . . . 1.0 . . . . . . . . . . . . A . 5 GLY HA2 . . . . . . . . . rr_2mce 1
. 20 . 6075 . 1 1 5 GLY HA3 H -9.857 3.161 3.056 . . . 1.0 . . . . . . . . . . . . A . 5 GLY HA3 . . . . . . . . . rr_2mce 1
. 20 . 6076 . 1 1 5 GLY N N -10.002 4.930 1.953 . . . 1.0 . . . . . . . . . . . . A . 5 GLY N . . . . . . . . . rr_2mce 1
. 20 . 6077 . 1 1 5 GLY O O -7.122 2.841 2.423 . . . 1.0 . . . . . . . . . . . . A . 5 GLY O . . . . . . . . . rr_2mce 1
. 20 . 6078 . 1 1 6 GLN C C -5.824 3.823 -0.060 . . . 1.0 . . . . . . . . . . . . A . 6 GLN C . . . . . . . . . rr_2mce 1
. 20 . 6079 . 1 1 6 GLN CA C -7.158 3.128 -0.340 . . . 1.0 . . . . . . . . . . . . A . 6 GLN CA . . . . . . . . . rr_2mce 1
. 20 . 6080 . 1 1 6 GLN CB C -7.588 3.333 -1.795 . . . 1.0 . . . . . . . . . . . . A . 6 GLN CB . . . . . . . . . rr_2mce 1
. 20 . 6081 . 1 1 6 GLN CD C -9.391 2.158 -3.108 . . . 1.0 . . . . . . . . . . . . A . 6 GLN CD . . . . . . . . . rr_2mce 1
. 20 . 6082 . 1 1 6 GLN CG C -8.029 2.012 -2.428 . . . 1.0 . . . . . . . . . . . . A . 6 GLN CG . . . . . . . . . rr_2mce 1
. 20 . 6083 . 1 1 6 GLN H H -8.948 4.077 0.144 . . . 1.0 . . . . . . . . . . . . A . 6 GLN H . . . . . . . . . rr_2mce 1
. 20 . 6084 . 1 1 6 GLN HA H -7.068 2.060 -0.142 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HA . . . . . . . . . rr_2mce 1
. 20 . 6085 . 1 1 6 GLN HB2 H -8.406 4.052 -1.839 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HB2 . . . . . . . . . rr_2mce 1
. 20 . 6086 . 1 1 6 GLN HB3 H -6.761 3.755 -2.366 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HB3 . . . . . . . . . rr_2mce 1
. 20 . 6087 . 1 1 6 GLN HE21 H -10.270 1.658 -1.355 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HE21 . . . . . . . . . rr_2mce 1
. 20 . 6088 . 1 1 6 GLN HE22 H -11.358 1.982 -2.663 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HE22 . . . . . . . . . rr_2mce 1
. 20 . 6089 . 1 1 6 GLN HG2 H -7.287 1.688 -3.157 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HG2 . . . . . . . . . rr_2mce 1
. 20 . 6090 . 1 1 6 GLN HG3 H -8.083 1.238 -1.662 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HG3 . . . . . . . . . rr_2mce 1
. 20 . 6091 . 1 1 6 GLN N N -8.178 3.607 0.576 . . . 1.0 . . . . . . . . . . . . A . 6 GLN N . . . . . . . . . rr_2mce 1
. 20 . 6092 . 1 1 6 GLN NE2 N -10.425 1.912 -2.309 . . . 1.0 . . . . . . . . . . . . A . 6 GLN NE2 . . . . . . . . . rr_2mce 1
. 20 . 6093 . 1 1 6 GLN O O -4.764 3.296 -0.393 . . . 1.0 . . . . . . . . . . . . A . 6 GLN O . . . . . . . . . rr_2mce 1
. 20 . 6094 . 1 1 6 GLN OE1 O -9.496 2.474 -4.282 . . . 1.0 . . . . . . . . . . . . A . 6 GLN OE1 . . . . . . . . . rr_2mce 1
. 20 . 6095 . 1 1 7 ILE C C -3.903 5.002 1.911 . . . 1.0 . . . . . . . . . . . . A . 7 ILE C . . . . . . . . . rr_2mce 1
. 20 . 6096 . 1 1 7 ILE CA C -4.735 5.767 0.879 . . . 1.0 . . . . . . . . . . . . A . 7 ILE CA . . . . . . . . . rr_2mce 1
. 20 . 6097 . 1 1 7 ILE CB C -5.122 7.178 1.326 . . . 1.0 . . . . . . . . . . . . A . 7 ILE CB . . . . . . . . . rr_2mce 1
. 20 . 6098 . 1 1 7 ILE CD1 C -4.181 7.775 3.589 . . . 1.0 . . . . . . . . . . . . A . 7 ILE CD1 . . . . . . . . . rr_2mce 1
. 20 . 6099 . 1 1 7 ILE CG1 C -5.391 7.222 2.831 . . . 1.0 . . . . . . . . . . . . A . 7 ILE CG1 . . . . . . . . . rr_2mce 1
. 20 . 6100 . 1 1 7 ILE CG2 C -6.308 7.704 0.516 . . . 1.0 . . . . . . . . . . . . A . 7 ILE CG2 . . . . . . . . . rr_2mce 1
. 20 . 6101 . 1 1 7 ILE H H -6.788 5.416 0.817 . . . 1.0 . . . . . . . . . . . . A . 7 ILE H . . . . . . . . . rr_2mce 1
. 20 . 6102 . 1 1 7 ILE HA H -4.147 5.868 -0.033 . . . 1.0 . . . . . . . . . . . . A . 7 ILE HA . . . . . . . . . rr_2mce 1
. 20 . 6103 . 1 1 7 ILE HB H -4.279 7.842 1.130 . . . 1.0 . . . . . . . . . . . . A . 7 ILE HB . . . . . . . . . rr_2mce 1
. 20 . 6104 . 1 1 7 ILE HD11 H -3.714 8.563 2.999 . . . 1.0 . . . . . . . . . . . . A . 7 ILE HD11 . . . . . . . . . rr_2mce 1
. 20 . 6105 . 1 1 7 ILE HD12 H -4.508 8.182 4.546 . . . 1.0 . . . . . . . . . . . . A . 7 ILE HD12 . . . . . . . . . rr_2mce 1
. 20 . 6106 . 1 1 7 ILE HD13 H -3.463 6.973 3.760 . . . 1.0 . . . . . . . . . . . . A . 7 ILE HD13 . . . . . . . . . rr_2mce 1
. 20 . 6107 . 1 1 7 ILE HG12 H -6.264 7.845 3.030 . . . 1.0 . . . . . . . . . . . . A . 7 ILE HG12 . . . . . . . . . rr_2mce 1
. 20 . 6108 . 1 1 7 ILE HG13 H -5.624 6.221 3.192 . . . 1.0 . . . . . . . . . . . . A . 7 ILE HG13 . . . . . . . . . rr_2mce 1
. 20 . 6109 . 1 1 7 ILE HG21 H -7.194 7.738 1.149 . . . 1.0 . . . . . . . . . . . . A . 7 ILE HG21 . . . . . . . . . rr_2mce 1
. 20 . 6110 . 1 1 7 ILE HG22 H -6.084 8.707 0.152 . . . 1.0 . . . . . . . . . . . . A . 7 ILE HG22 . . . . . . . . . rr_2mce 1
. 20 . 6111 . 1 1 7 ILE HG23 H -6.491 7.043 -0.331 . . . 1.0 . . . . . . . . . . . . A . 7 ILE HG23 . . . . . . . . . rr_2mce 1
. 20 . 6112 . 1 1 7 ILE N N -5.921 4.995 0.550 . . . 1.0 . . . . . . . . . . . . A . 7 ILE N . . . . . . . . . rr_2mce 1
. 20 . 6113 . 1 1 7 ILE O O -2.700 5.227 2.033 . . . 1.0 . . . . . . . . . . . . A . 7 ILE O . . . . . . . . . rr_2mce 1
. 20 . 6114 . 1 1 8 SER C C -3.278 2.078 3.003 . . . 1.0 . . . . . . . . . . . . A . 8 SER C . . . . . . . . . rr_2mce 1
. 20 . 6115 . 1 1 8 SER CA C -3.915 3.314 3.642 . . . 1.0 . . . . . . . . . . . . A . 8 SER CA . . . . . . . . . rr_2mce 1
. 20 . 6116 . 1 1 8 SER CB C -4.896 2.897 4.740 . . . 1.0 . . . . . . . . . . . . A . 8 SER CB . . . . . . . . . rr_2mce 1
. 20 . 6117 . 1 1 8 SER H H -5.556 3.936 2.519 . . . 1.0 . . . . . . . . . . . . A . 8 SER H . . . . . . . . . rr_2mce 1
. 20 . 6118 . 1 1 8 SER HA H -3.150 3.963 4.068 . . . 1.0 . . . . . . . . . . . . A . 8 SER HA . . . . . . . . . rr_2mce 1
. 20 . 6119 . 1 1 8 SER HB2 H -5.717 3.613 4.784 . . . 1.0 . . . . . . . . . . . . A . 8 SER HB2 . . . . . . . . . rr_2mce 1
. 20 . 6120 . 1 1 8 SER HB3 H -5.332 1.929 4.488 . . . 1.0 . . . . . . . . . . . . A . 8 SER HB3 . . . . . . . . . rr_2mce 1
. 20 . 6121 . 1 1 8 SER HG H -4.756 2.166 6.597 . . . 1.0 . . . . . . . . . . . . A . 8 SER HG . . . . . . . . . rr_2mce 1
. 20 . 6122 . 1 1 8 SER N N -4.578 4.113 2.625 . . . 1.0 . . . . . . . . . . . . A . 8 SER N . . . . . . . . . rr_2mce 1
. 20 . 6123 . 1 1 8 SER O O -2.351 1.494 3.563 . . . 1.0 . . . . . . . . . . . . A . 8 SER O . . . . . . . . . rr_2mce 1
. 20 . 6124 . 1 1 8 SER OG O -4.268 2.817 6.016 . . . 1.0 . . . . . . . . . . . . A . 8 SER OG . . . . . . . . . rr_2mce 1
. 20 . 6125 . 1 1 9 HIS C C -1.973 0.924 0.433 . . . 1.0 . . . . . . . . . . . . A . 9 HIS C . . . . . . . . . rr_2mce 1
. 20 . 6126 . 1 1 9 HIS CA C -3.292 0.562 1.119 . . . 1.0 . . . . . . . . . . . . A . 9 HIS CA . . . . . . . . . rr_2mce 1
. 20 . 6127 . 1 1 9 HIS CB C -4.342 0.028 0.143 . . . 1.0 . . . . . . . . . . . . A . 9 HIS CB . . . . . . . . . rr_2mce 1
. 20 . 6128 . 1 1 9 HIS CD2 C -5.131 -2.459 0.311 . . . 1.0 . . . . . . . . . . . . A . 9 HIS CD2 . . . . . . . . . rr_2mce 1
. 20 . 6129 . 1 1 9 HIS CE1 C -6.581 -2.215 1.932 . . . 1.0 . . . . . . . . . . . . A . 9 HIS CE1 . . . . . . . . . rr_2mce 1
. 20 . 6130 . 1 1 9 HIS CG C -5.134 -1.143 0.673 . . . 1.0 . . . . . . . . . . . . A . 9 HIS CG . . . . . . . . . rr_2mce 1
. 20 . 6131 . 1 1 9 HIS H H -4.552 2.197 1.392 . . . 1.0 . . . . . . . . . . . . A . 9 HIS H . . . . . . . . . rr_2mce 1
. 20 . 6132 . 1 1 9 HIS HA H -3.104 -0.213 1.863 . . . 1.0 . . . . . . . . . . . . A . 9 HIS HA . . . . . . . . . rr_2mce 1
. 20 . 6133 . 1 1 9 HIS HB2 H -5.029 0.833 -0.112 . . . 1.0 . . . . . . . . . . . . A . 9 HIS HB2 . . . . . . . . . rr_2mce 1
. 20 . 6134 . 1 1 9 HIS HB3 H -3.845 -0.271 -0.780 . . . 1.0 . . . . . . . . . . . . A . 9 HIS HB3 . . . . . . . . . rr_2mce 1
. 20 . 6135 . 1 1 9 HIS HD1 H -6.291 -0.175 2.175 . . . 1.0 . . . . . . . . . . . . A . 9 HIS HD1 . . . . . . . . . rr_2mce 1
. 20 . 6136 . 1 1 9 HIS HD2 H -4.516 -2.903 -0.471 . . . 1.0 . . . . . . . . . . . . A . 9 HIS HD2 . . . . . . . . . rr_2mce 1
. 20 . 6137 . 1 1 9 HIS HE1 H -7.339 -2.446 2.680 . . . 1.0 . . . . . . . . . . . . A . 9 HIS HE1 . . . . . . . . . rr_2mce 1
. 20 . 6138 . 1 1 9 HIS N N -3.799 1.718 1.840 . . . 1.0 . . . . . . . . . . . . A . 9 HIS N . . . . . . . . . rr_2mce 1
. 20 . 6139 . 1 1 9 HIS ND1 N -6.058 -1.021 1.696 . . . 1.0 . . . . . . . . . . . . A . 9 HIS ND1 . . . . . . . . . rr_2mce 1
. 20 . 6140 . 1 1 9 HIS NE2 N -6.005 -3.105 1.073 . . . 1.0 . . . . . . . . . . . . A . 9 HIS NE2 . . . . . . . . . rr_2mce 1
. 20 . 6141 . 1 1 9 HIS O O -1.182 0.044 0.098 . . . 1.0 . . . . . . . . . . . . A . 9 HIS O . . . . . . . . . rr_2mce 1
. 20 . 6142 . 1 1 10 LYS C C 0.634 2.414 0.502 . . . 1.0 . . . . . . . . . . . . A . 10 LYS C . . . . . . . . . rr_2mce 1
. 20 . 6143 . 1 1 10 LYS CA C -0.569 2.710 -0.396 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CA . . . . . . . . . rr_2mce 1
. 20 . 6144 . 1 1 10 LYS CB C -0.715 4.189 -0.759 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CB . . . . . . . . . rr_2mce 1
. 20 . 6145 . 1 1 10 LYS CD C 1.213 5.228 0.492 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CD . . . . . . . . . rr_2mce 1
. 20 . 6146 . 1 1 10 LYS CE C 1.611 6.664 0.833 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CE . . . . . . . . . rr_2mce 1
. 20 . 6147 . 1 1 10 LYS CG C -0.309 5.084 0.414 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CG . . . . . . . . . rr_2mce 1
. 20 . 6148 . 1 1 10 LYS H H -2.426 2.930 0.520 . . . 1.0 . . . . . . . . . . . . A . 10 LYS H . . . . . . . . . rr_2mce 1
. 20 . 6149 . 1 1 10 LYS HA H -0.447 2.160 -1.328 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HA . . . . . . . . . rr_2mce 1
. 20 . 6150 . 1 1 10 LYS HB2 H -0.097 4.417 -1.627 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HB2 . . . . . . . . . rr_2mce 1
. 20 . 6151 . 1 1 10 LYS HB3 H -1.748 4.398 -1.040 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HB3 . . . . . . . . . rr_2mce 1
. 20 . 6152 . 1 1 10 LYS HD2 H 1.606 4.548 1.249 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HD2 . . . . . . . . . rr_2mce 1
. 20 . 6153 . 1 1 10 LYS HD3 H 1.659 4.938 -0.459 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HD3 . . . . . . . . . rr_2mce 1
. 20 . 6154 . 1 1 10 LYS HE2 H 0.889 7.359 0.403 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HE2 . . . . . . . . . rr_2mce 1
. 20 . 6155 . 1 1 10 LYS HE3 H 1.588 6.809 1.913 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HE3 . . . . . . . . . rr_2mce 1
. 20 . 6156 . 1 1 10 LYS HG2 H -0.765 6.068 0.300 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HG2 . . . . . . . . . rr_2mce 1
. 20 . 6157 . 1 1 10 LYS HG3 H -0.687 4.664 1.345 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HG3 . . . . . . . . . rr_2mce 1
. 20 . 6158 . 1 1 10 LYS HZ1 H 2.954 7.180 -0.675 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HZ1 . . . . . . . . . rr_2mce 1
. 20 . 6159 . 1 1 10 LYS HZ3 H 3.600 6.181 0.438 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HZ3 . . . . . . . . . rr_2mce 1
. 20 . 6160 . 1 1 10 LYS N N -1.778 2.221 0.245 . . . 1.0 . . . . . . . . . . . . A . 10 LYS N . . . . . . . . . rr_2mce 1
. 20 . 6161 . 1 1 10 LYS NZ N 2.965 6.964 0.316 . . . 1.0 . . . . . . . . . . . . A . 10 LYS NZ . . . . . . . . . rr_2mce 1
. 20 . 6162 . 1 1 10 LYS O O 1.781 2.549 0.076 . . . 1.0 . . . . . . . . . . . . A . 10 LYS O . . . . . . . . . rr_2mce 1
. 20 . 6163 . 1 1 11 ARG C C 1.839 0.250 2.512 . . . 1.0 . . . . . . . . . . . . A . 11 ARG C . . . . . . . . . rr_2mce 1
. 20 . 6164 . 1 1 11 ARG CA C 1.375 1.697 2.690 . . . 1.0 . . . . . . . . . . . . A . 11 ARG CA . . . . . . . . . rr_2mce 1
. 20 . 6165 . 1 1 11 ARG CB C 0.880 1.894 4.124 . . . 1.0 . . . . . . . . . . . . A . 11 ARG CB . . . . . . . . . rr_2mce 1
. 20 . 6166 . 1 1 11 ARG CD C 0.623 3.657 5.909 . . . 1.0 . . . . . . . . . . . . A . 11 ARG CD . . . . . . . . . rr_2mce 1
. 20 . 6167 . 1 1 11 ARG CG C 1.478 3.159 4.742 . . . 1.0 . . . . . . . . . . . . A . 11 ARG CG . . . . . . . . . rr_2mce 1
. 20 . 6168 . 1 1 11 ARG CZ C 0.567 6.078 5.284 . . . 1.0 . . . . . . . . . . . . A . 11 ARG CZ . . . . . . . . . rr_2mce 1
. 20 . 6169 . 1 1 11 ARG H H -0.602 1.906 2.068 . . . 1.0 . . . . . . . . . . . . A . 11 ARG H . . . . . . . . . rr_2mce 1
. 20 . 6170 . 1 1 11 ARG HA H 2.181 2.398 2.469 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HA . . . . . . . . . rr_2mce 1
. 20 . 6171 . 1 1 11 ARG HB2 H -0.208 1.961 4.132 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HB2 . . . . . . . . . rr_2mce 1
. 20 . 6172 . 1 1 11 ARG HB3 H 1.150 1.028 4.728 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HB3 . . . . . . . . . rr_2mce 1
. 20 . 6173 . 1 1 11 ARG HD2 H -0.434 3.504 5.687 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HD2 . . . . . . . . . rr_2mce 1
. 20 . 6174 . 1 1 11 ARG HD3 H 0.848 3.082 6.807 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HD3 . . . . . . . . . rr_2mce 1
. 20 . 6175 . 1 1 11 ARG HE H 1.324 5.351 7.012 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HE . . . . . . . . . rr_2mce 1
. 20 . 6176 . 1 1 11 ARG HG2 H 2.491 2.955 5.090 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HG2 . . . . . . . . . rr_2mce 1
. 20 . 6177 . 1 1 11 ARG HG3 H 1.553 3.938 3.983 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HG3 . . . . . . . . . rr_2mce 1
. 20 . 6178 . 1 1 11 ARG HH11 H -0.237 4.839 3.872 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HH11 . . . . . . . . . rr_2mce 1
. 20 . 6179 . 1 1 11 ARG HH12 H -0.260 6.523 3.470 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HH12 . . . . . . . . . rr_2mce 1
. 20 . 6180 . 1 1 11 ARG HH22 H 0.644 8.113 5.019 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HH22 . . . . . . . . . rr_2mce 1
. 20 . 6181 . 1 1 11 ARG N N 0.332 2.014 1.729 . . . 1.0 . . . . . . . . . . . . A . 11 ARG N . . . . . . . . . rr_2mce 1
. 20 . 6182 . 1 1 11 ARG NE N 0.884 5.094 6.151 . . . 1.0 . . . . . . . . . . . . A . 11 ARG NE . . . . . . . . . rr_2mce 1
. 20 . 6183 . 1 1 11 ARG NH1 N -0.028 5.789 4.107 . . . 1.0 . . . . . . . . . . . . A . 11 ARG NH1 . . . . . . . . . rr_2mce 1
. 20 . 6184 . 1 1 11 ARG NH2 N 0.847 7.328 5.603 . . . 1.0 . . . . . . . . . . . . A . 11 ARG NH2 . . . . . . . . . rr_2mce 1
. 20 . 6185 . 1 1 11 ARG O O 2.969 -0.091 2.862 . . . 1.0 . . . . . . . . . . . . A . 11 ARG O . . . . . . . . . rr_2mce 1
. 20 . 6186 . 1 1 12 HIS C C 2.229 -2.095 0.575 . . . 1.0 . . . . . . . . . . . . A . 12 HIS C . . . . . . . . . rr_2mce 1
. 20 . 6187 . 1 1 12 HIS CA C 1.248 -1.965 1.741 . . . 1.0 . . . . . . . . . . . . A . 12 HIS CA . . . . . . . . . rr_2mce 1
. 20 . 6188 . 1 1 12 HIS CB C -0.036 -2.771 1.529 . . . 1.0 . . . . . . . . . . . . A . 12 HIS CB . . . . . . . . . rr_2mce 1
. 20 . 6189 . 1 1 12 HIS CD2 C -0.146 -2.560 -1.074 . . . 1.0 . . . . . . . . . . . . A . 12 HIS CD2 . . . . . . . . . rr_2mce 1
. 20 . 6190 . 1 1 12 HIS CE1 C -2.288 -2.157 -1.263 . . . 1.0 . . . . . . . . . . . . A . 12 HIS CE1 . . . . . . . . . rr_2mce 1
. 20 . 6191 . 1 1 12 HIS CG C -0.681 -2.555 0.182 . . . 1.0 . . . . . . . . . . . . A . 12 HIS CG . . . . . . . . . rr_2mce 1
. 20 . 6192 . 1 1 12 HIS H H 0.028 -0.277 1.688 . . . 1.0 . . . . . . . . . . . . A . 12 HIS H . . . . . . . . . rr_2mce 1
. 20 . 6193 . 1 1 12 HIS HA H 1.725 -2.334 2.649 . . . 1.0 . . . . . . . . . . . . A . 12 HIS HA . . . . . . . . . rr_2mce 1
. 20 . 6194 . 1 1 12 HIS HB2 H 0.190 -3.831 1.648 . . . 1.0 . . . . . . . . . . . . A . 12 HIS HB2 . . . . . . . . . rr_2mce 1
. 20 . 6195 . 1 1 12 HIS HB3 H -0.751 -2.508 2.310 . . . 1.0 . . . . . . . . . . . . A . 12 HIS HB3 . . . . . . . . . rr_2mce 1
. 20 . 6196 . 1 1 12 HIS HD1 H -2.702 -2.231 0.770 . . . 1.0 . . . . . . . . . . . . A . 12 HIS HD1 . . . . . . . . . rr_2mce 1
. 20 . 6197 . 1 1 12 HIS HD2 H 0.902 -2.730 -1.319 . . . 1.0 . . . . . . . . . . . . A . 12 HIS HD2 . . . . . . . . . rr_2mce 1
. 20 . 6198 . 1 1 12 HIS HE1 H -3.263 -1.948 -1.703 . . . 1.0 . . . . . . . . . . . . A . 12 HIS HE1 . . . . . . . . . rr_2mce 1
. 20 . 6199 . 1 1 12 HIS N N 0.944 -0.562 1.970 . . . 1.0 . . . . . . . . . . . . A . 12 HIS N . . . . . . . . . rr_2mce 1
. 20 . 6200 . 1 1 12 HIS ND1 N -2.033 -2.299 0.029 . . . 1.0 . . . . . . . . . . . . A . 12 HIS ND1 . . . . . . . . . rr_2mce 1
. 20 . 6201 . 1 1 12 HIS NE2 N -1.118 -2.320 -1.944 . . . 1.0 . . . . . . . . . . . . A . 12 HIS NE2 . . . . . . . . . rr_2mce 1
. 20 . 6202 . 1 1 12 HIS O O 2.986 -3.061 0.500 . . . 1.0 . . . . . . . . . . . . A . 12 HIS O . . . . . . . . . rr_2mce 1
. 20 . 6203 . 1 1 13 LYS C C 4.516 -1.120 -1.000 . . . 1.0 . . . . . . . . . . . . A . 13 LYS C . . . . . . . . . rr_2mce 1
. 20 . 6204 . 1 1 13 LYS CA C 3.059 -1.098 -1.467 . . . 1.0 . . . . . . . . . . . . A . 13 LYS CA . . . . . . . . . rr_2mce 1
. 20 . 6205 . 1 1 13 LYS CB C 2.724 0.082 -2.382 . . . 1.0 . . . . . . . . . . . . A . 13 LYS CB . . . . . . . . . rr_2mce 1
. 20 . 6206 . 1 1 13 LYS CD C 1.159 -0.282 -4.326 . . . 1.0 . . . . . . . . . . . . A . 13 LYS CD . . . . . . . . . rr_2mce 1
. 20 . 6207 . 1 1 13 LYS CE C 1.782 0.837 -5.163 . . . 1.0 . . . . . . . . . . . . A . 13 LYS CE . . . . . . . . . rr_2mce 1
. 20 . 6208 . 1 1 13 LYS CG C 1.262 0.029 -2.832 . . . 1.0 . . . . . . . . . . . . A . 13 LYS CG . . . . . . . . . rr_2mce 1
. 20 . 6209 . 1 1 13 LYS H H 1.565 -0.324 -0.239 . . . 1.0 . . . . . . . . . . . . A . 13 LYS H . . . . . . . . . rr_2mce 1
. 20 . 6210 . 1 1 13 LYS HA H 2.862 -2.009 -2.030 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HA . . . . . . . . . rr_2mce 1
. 20 . 6211 . 1 1 13 LYS HB2 H 2.914 1.019 -1.859 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HB2 . . . . . . . . . rr_2mce 1
. 20 . 6212 . 1 1 13 LYS HB3 H 3.377 0.066 -3.254 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HB3 . . . . . . . . . rr_2mce 1
. 20 . 6213 . 1 1 13 LYS HD2 H 1.662 -1.225 -4.540 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HD2 . . . . . . . . . rr_2mce 1
. 20 . 6214 . 1 1 13 LYS HD3 H 0.112 -0.409 -4.603 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HD3 . . . . . . . . . rr_2mce 1
. 20 . 6215 . 1 1 13 LYS HE2 H 1.448 1.806 -4.792 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HE2 . . . . . . . . . rr_2mce 1
. 20 . 6216 . 1 1 13 LYS HE3 H 2.867 0.814 -5.062 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HE3 . . . . . . . . . rr_2mce 1
. 20 . 6217 . 1 1 13 LYS HG2 H 0.730 -0.732 -2.260 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HG2 . . . . . . . . . rr_2mce 1
. 20 . 6218 . 1 1 13 LYS HG3 H 0.779 0.983 -2.621 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HG3 . . . . . . . . . rr_2mce 1
. 20 . 6219 . 1 1 13 LYS HZ1 H 0.408 0.778 -6.729 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HZ1 . . . . . . . . . rr_2mce 1
. 20 . 6220 . 1 1 13 LYS HZ3 H 1.677 -0.217 -6.958 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HZ3 . . . . . . . . . rr_2mce 1
. 20 . 6221 . 1 1 13 LYS N N 2.183 -1.107 -0.307 . . . 1.0 . . . . . . . . . . . . A . 13 LYS N . . . . . . . . . rr_2mce 1
. 20 . 6222 . 1 1 13 LYS NZ N 1.408 0.688 -6.587 . . . 1.0 . . . . . . . . . . . . A . 13 LYS NZ . . . . . . . . . rr_2mce 1
. 20 . 6223 . 1 1 13 LYS O O 5.405 -1.522 -1.749 . . . 1.0 . . . . . . . . . . . . A . 13 LYS O . . . . . . . . . rr_2mce 1
. 20 . 6224 . 1 1 14 THR C C 6.504 -2.058 1.189 . . . 1.0 . . . . . . . . . . . . A . 14 THR C . . . . . . . . . rr_2mce 1
. 20 . 6225 . 1 1 14 THR CA C 6.049 -0.648 0.809 . . . 1.0 . . . . . . . . . . . . A . 14 THR CA . . . . . . . . . rr_2mce 1
. 20 . 6226 . 1 1 14 THR CB C 6.030 0.324 1.991 . . . 1.0 . . . . . . . . . . . . A . 14 THR CB . . . . . . . . . rr_2mce 1
. 20 . 6227 . 1 1 14 THR CG2 C 5.799 -0.385 3.327 . . . 1.0 . . . . . . . . . . . . A . 14 THR CG2 . . . . . . . . . rr_2mce 1
. 20 . 6228 . 1 1 14 THR H H 3.986 -0.357 0.837 . . . 1.0 . . . . . . . . . . . . A . 14 THR H . . . . . . . . . rr_2mce 1
. 20 . 6229 . 1 1 14 THR HA H 6.741 -0.283 0.050 . . . 1.0 . . . . . . . . . . . . A . 14 THR HA . . . . . . . . . rr_2mce 1
. 20 . 6230 . 1 1 14 THR HB H 5.292 1.111 1.836 . . . 1.0 . . . . . . . . . . . . A . 14 THR HB . . . . . . . . . rr_2mce 1
. 20 . 6231 . 1 1 14 THR HG1 H 7.515 1.265 2.948 . . . 1.0 . . . . . . . . . . . . A . 14 THR HG1 . . . . . . . . . rr_2mce 1
. 20 . 6232 . 1 1 14 THR HG21 H 5.034 -1.151 3.204 . . . 1.0 . . . . . . . . . . . . A . 14 THR HG21 . . . . . . . . . rr_2mce 1
. 20 . 6233 . 1 1 14 THR HG22 H 6.728 -0.849 3.658 . . . 1.0 . . . . . . . . . . . . A . 14 THR HG22 . . . . . . . . . rr_2mce 1
. 20 . 6234 . 1 1 14 THR HG23 H 5.469 0.341 4.071 . . . 1.0 . . . . . . . . . . . . A . 14 THR HG23 . . . . . . . . . rr_2mce 1
. 20 . 6235 . 1 1 14 THR N N 4.715 -0.683 0.235 . . . 1.0 . . . . . . . . . . . . A . 14 THR N . . . . . . . . . rr_2mce 1
. 20 . 6236 . 1 1 14 THR O O 7.701 -2.333 1.251 . . . 1.0 . . . . . . . . . . . . A . 14 THR O . . . . . . . . . rr_2mce 1
. 20 . 6237 . 1 1 14 THR OG1 O 7.371 0.796 2.076 . . . 1.0 . . . . . . . . . . . . A . 14 THR OG1 . . . . . . . . . rr_2mce 1
. 20 . 6238 . 1 1 15 ASP C C 6.257 -5.067 0.569 . . . 1.0 . . . . . . . . . . . . A . 15 ASP C . . . . . . . . . rr_2mce 1
. 20 . 6239 . 1 1 15 ASP CA C 5.808 -4.290 1.808 . . . 1.0 . . . . . . . . . . . . A . 15 ASP CA . . . . . . . . . rr_2mce 1
. 20 . 6240 . 1 1 15 ASP CB C 4.562 -4.977 2.370 . . . 1.0 . . . . . . . . . . . . A . 15 ASP CB . . . . . . . . . rr_2mce 1
. 20 . 6241 . 1 1 15 ASP CG C 4.219 -4.612 3.817 . . . 1.0 . . . . . . . . . . . . A . 15 ASP CG . . . . . . . . . rr_2mce 1
. 20 . 6242 . 1 1 15 ASP H H 4.552 -2.683 1.383 . . . 1.0 . . . . . . . . . . . . A . 15 ASP H . . . . . . . . . rr_2mce 1
. 20 . 6243 . 1 1 15 ASP HA H 6.588 -4.226 2.566 . . . 1.0 . . . . . . . . . . . . A . 15 ASP HA . . . . . . . . . rr_2mce 1
. 20 . 6244 . 1 1 15 ASP HB2 H 3.710 -4.727 1.738 . . . 1.0 . . . . . . . . . . . . A . 15 ASP HB2 . . . . . . . . . rr_2mce 1
. 20 . 6245 . 1 1 15 ASP HB3 H 4.700 -6.056 2.307 . . . 1.0 . . . . . . . . . . . . A . 15 ASP HB3 . . . . . . . . . rr_2mce 1
. 20 . 6246 . 1 1 15 ASP HD2 H 2.981 -6.003 4.096 . . . 1.0 . . . . . . . . . . . . A . 15 ASP HD2 . . . . . . . . . rr_2mce 1
. 20 . 6247 . 1 1 15 ASP N N 5.524 -2.915 1.435 . . . 1.0 . . . . . . . . . . . . A . 15 ASP N . . . . . . . . . rr_2mce 1
. 20 . 6248 . 1 1 15 ASP O O 7.011 -6.034 0.677 . . . 1.0 . . . . . . . . . . . . A . 15 ASP O . . . . . . . . . rr_2mce 1
. 20 . 6249 . 1 1 15 ASP OD1 O 5.017 -3.977 4.521 . . . 1.0 . . . . . . . . . . . . A . 15 ASP OD1 . . . . . . . . . rr_2mce 1
. 20 . 6250 . 1 1 15 ASP OD2 O 3.062 -5.014 4.220 . . . 1.0 . . . . . . . . . . . . A . 15 ASP OD2 . . . . . . . . . rr_2mce 1
. 20 . 6251 . 1 1 16 SER C C 7.549 -4.892 -2.238 . . . 1.0 . . . . . . . . . . . . A . 16 SER C . . . . . . . . . rr_2mce 1
. 20 . 6252 . 1 1 16 SER CA C 6.119 -5.257 -1.838 . . . 1.0 . . . . . . . . . . . . A . 16 SER CA . . . . . . . . . rr_2mce 1
. 20 . 6253 . 1 1 16 SER CB C 5.140 -4.858 -2.944 . . . 1.0 . . . . . . . . . . . . A . 16 SER CB . . . . . . . . . rr_2mce 1
. 20 . 6254 . 1 1 16 SER H H 5.164 -3.829 -0.659 . . . 1.0 . . . . . . . . . . . . A . 16 SER H . . . . . . . . . rr_2mce 1
. 20 . 6255 . 1 1 16 SER HA H 6.035 -6.328 -1.649 . . . 1.0 . . . . . . . . . . . . A . 16 SER HA . . . . . . . . . rr_2mce 1
. 20 . 6256 . 1 1 16 SER HB2 H 4.224 -4.473 -2.496 . . . 1.0 . . . . . . . . . . . . A . 16 SER HB2 . . . . . . . . . rr_2mce 1
. 20 . 6257 . 1 1 16 SER HB3 H 5.570 -4.049 -3.534 . . . 1.0 . . . . . . . . . . . . A . 16 SER HB3 . . . . . . . . . rr_2mce 1
. 20 . 6258 . 1 1 16 SER HG H 3.940 -6.343 -3.546 . . . 1.0 . . . . . . . . . . . . A . 16 SER HG . . . . . . . . . rr_2mce 1
. 20 . 6259 . 1 1 16 SER N N 5.776 -4.616 -0.580 . . . 1.0 . . . . . . . . . . . . A . 16 SER N . . . . . . . . . rr_2mce 1
. 20 . 6260 . 1 1 16 SER O O 8.181 -5.605 -3.016 . . . 1.0 . . . . . . . . . . . . A . 16 SER O . . . . . . . . . rr_2mce 1
. 20 . 6261 . 1 1 16 SER OG O 4.825 -5.954 -3.799 . . . 1.0 . . . . . . . . . . . . A . 16 SER OG . . . . . . . . . rr_2mce 1
. 20 . 6262 . 1 1 17 PHE C C 10.408 -4.156 -1.244 . . . 1.0 . . . . . . . . . . . . A . 17 PHE C . . . . . . . . . rr_2mce 1
. 20 . 6263 . 1 1 17 PHE CA C 9.363 -3.313 -1.979 . . . 1.0 . . . . . . . . . . . . A . 17 PHE CA . . . . . . . . . rr_2mce 1
. 20 . 6264 . 1 1 17 PHE CB C 9.451 -1.869 -1.484 . . . 1.0 . . . . . . . . . . . . A . 17 PHE CB . . . . . . . . . rr_2mce 1
. 20 . 6265 . 1 1 17 PHE CD1 C 11.350 -0.761 -2.682 . . . 1.0 . . . . . . . . . . . . A . 17 PHE CD1 . . . . . . . . . rr_2mce 1
. 20 . 6266 . 1 1 17 PHE CD2 C 9.156 -0.144 -3.275 . . . 1.0 . . . . . . . . . . . . A . 17 PHE CD2 . . . . . . . . . rr_2mce 1
. 20 . 6267 . 1 1 17 PHE CE1 C 11.866 0.148 -3.642 . . . 1.0 . . . . . . . . . . . . A . 17 PHE CE1 . . . . . . . . . rr_2mce 1
. 20 . 6268 . 1 1 17 PHE CE2 C 9.672 0.766 -4.236 . . . 1.0 . . . . . . . . . . . . A . 17 PHE CE2 . . . . . . . . . rr_2mce 1
. 20 . 6269 . 1 1 17 PHE CG C 10.006 -0.888 -2.519 . . . 1.0 . . . . . . . . . . . . A . 17 PHE CG . . . . . . . . . rr_2mce 1
. 20 . 6270 . 1 1 17 PHE CZ C 11.016 0.893 -4.400 . . . 1.0 . . . . . . . . . . . . A . 17 PHE CZ . . . . . . . . . rr_2mce 1
. 20 . 6271 . 1 1 17 PHE H H 7.498 -3.207 -1.058 . . . 1.0 . . . . . . . . . . . . A . 17 PHE H . . . . . . . . . rr_2mce 1
. 20 . 6272 . 1 1 17 PHE HA H 9.514 -3.408 -3.055 . . . 1.0 . . . . . . . . . . . . A . 17 PHE HA . . . . . . . . . rr_2mce 1
. 20 . 6273 . 1 1 17 PHE HB2 H 8.456 -1.537 -1.182 . . . 1.0 . . . . . . . . . . . . A . 17 PHE HB2 . . . . . . . . . rr_2mce 1
. 20 . 6274 . 1 1 17 PHE HB3 H 10.081 -1.837 -0.594 . . . 1.0 . . . . . . . . . . . . A . 17 PHE HB3 . . . . . . . . . rr_2mce 1
. 20 . 6275 . 1 1 17 PHE HD1 H 12.032 -1.357 -2.075 . . . 1.0 . . . . . . . . . . . . A . 17 PHE HD1 . . . . . . . . . rr_2mce 1
. 20 . 6276 . 1 1 17 PHE HD2 H 8.079 -0.246 -3.146 . . . 1.0 . . . . . . . . . . . . A . 17 PHE HD2 . . . . . . . . . rr_2mce 1
. 20 . 6277 . 1 1 17 PHE HE1 H 12.943 0.251 -3.773 . . . 1.0 . . . . . . . . . . . . A . 17 PHE HE1 . . . . . . . . . rr_2mce 1
. 20 . 6278 . 1 1 17 PHE HE2 H 8.990 1.362 -4.843 . . . 1.0 . . . . . . . . . . . . A . 17 PHE HE2 . . . . . . . . . rr_2mce 1
. 20 . 6279 . 1 1 17 PHE HZ H 11.412 1.591 -5.136 . . . 1.0 . . . . . . . . . . . . A . 17 PHE HZ . . . . . . . . . rr_2mce 1
. 20 . 6280 . 1 1 17 PHE N N 8.019 -3.781 -1.689 . . . 1.0 . . . . . . . . . . . . A . 17 PHE N . . . . . . . . . rr_2mce 1
. 20 . 6281 . 1 1 17 PHE O O 11.566 -4.214 -1.656 . . . 1.0 . . . . . . . . . . . . A . 17 PHE O . . . . . . . . . rr_2mce 1
. 20 . 6282 . 1 1 18 VAL C C 11.224 -6.869 -0.179 . . . 1.0 . . . . . . . . . . . . A . 18 VAL C . . . . . . . . . rr_2mce 1
. 20 . 6283 . 1 1 18 VAL CA C 10.843 -5.626 0.626 . . . 1.0 . . . . . . . . . . . . A . 18 VAL CA . . . . . . . . . rr_2mce 1
. 20 . 6284 . 1 1 18 VAL CB C 10.180 -5.960 1.965 . . . 1.0 . . . . . . . . . . . . A . 18 VAL CB . . . . . . . . . rr_2mce 1
. 20 . 6285 . 1 1 18 VAL CG1 C 11.145 -6.715 2.881 . . . 1.0 . . . . . . . . . . . . A . 18 VAL CG1 . . . . . . . . . rr_2mce 1
. 20 . 6286 . 1 1 18 VAL CG2 C 9.653 -4.695 2.646 . . . 1.0 . . . . . . . . . . . . A . 18 VAL CG2 . . . . . . . . . rr_2mce 1
. 20 . 6287 . 1 1 18 VAL H H 9.018 -4.736 0.159 . . . 1.0 . . . . . . . . . . . . A . 18 VAL H . . . . . . . . . rr_2mce 1
. 20 . 6288 . 1 1 18 VAL HA H 11.746 -5.050 0.832 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HA . . . . . . . . . rr_2mce 1
. 20 . 6289 . 1 1 18 VAL HB H 9.329 -6.611 1.763 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HB . . . . . . . . . rr_2mce 1
. 20 . 6290 . 1 1 18 VAL HG11 H 12.172 -6.492 2.590 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HG11 . . . . . . . . . rr_2mce 1
. 20 . 6291 . 1 1 18 VAL HG12 H 10.984 -6.404 3.914 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HG12 . . . . . . . . . rr_2mce 1
. 20 . 6292 . 1 1 18 VAL HG13 H 10.967 -7.787 2.793 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HG13 . . . . . . . . . rr_2mce 1
. 20 . 6293 . 1 1 18 VAL HG21 H 9.266 -4.949 3.634 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HG21 . . . . . . . . . rr_2mce 1
. 20 . 6294 . 1 1 18 VAL HG22 H 10.463 -3.973 2.748 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HG22 . . . . . . . . . rr_2mce 1
. 20 . 6295 . 1 1 18 VAL HG23 H 8.854 -4.264 2.043 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HG23 . . . . . . . . . rr_2mce 1
. 20 . 6296 . 1 1 18 VAL N N 9.962 -4.789 -0.169 . . . 1.0 . . . . . . . . . . . . A . 18 VAL N . . . . . . . . . rr_2mce 1
. 20 . 6297 . 1 1 18 VAL O O 12.315 -7.411 -0.013 . . . 1.0 . . . . . . . . . . . . A . 18 VAL O . . . . . . . . . rr_2mce 1
. 20 . 6298 . 1 1 19 GLY C C 11.303 -8.087 -3.132 . . . 1.0 . . . . . . . . . . . . A . 19 GLY C . . . . . . . . . rr_2mce 1
. 20 . 6299 . 1 1 19 GLY CA C 10.527 -8.456 -1.867 . . . 1.0 . . . . . . . . . . . . A . 19 GLY CA . . . . . . . . . rr_2mce 1
. 20 . 6300 . 1 1 19 GLY H H 9.416 -6.839 -1.164 . . . 1.0 . . . . . . . . . . . . A . 19 GLY H . . . . . . . . . rr_2mce 1
. 20 . 6301 . 1 1 19 GLY HA2 H 11.080 -9.206 -1.302 . . . 1.0 . . . . . . . . . . . . A . 19 GLY HA2 . . . . . . . . . rr_2mce 1
. 20 . 6302 . 1 1 19 GLY HA3 H 9.570 -8.902 -2.139 . . . 1.0 . . . . . . . . . . . . A . 19 GLY HA3 . . . . . . . . . rr_2mce 1
. 20 . 6303 . 1 1 19 GLY N N 10.302 -7.286 -1.035 . . . 1.0 . . . . . . . . . . . . A . 19 GLY N . . . . . . . . . rr_2mce 1
. 20 . 6304 . 1 1 19 GLY O O 11.609 -8.952 -3.951 . . . 1.0 . . . . . . . . . . . . A . 19 GLY O . . . . . . . . . rr_2mce 1
. 20 . 6305 . 1 1 20 LEU C C 13.834 -6.356 -4.107 . . . 1.0 . . . . . . . . . . . . A . 20 LEU C . . . . . . . . . rr_2mce 1
. 20 . 6306 . 1 1 20 LEU CA C 12.334 -6.307 -4.405 . . . 1.0 . . . . . . . . . . . . A . 20 LEU CA . . . . . . . . . rr_2mce 1
. 20 . 6307 . 1 1 20 LEU CB C 11.832 -4.919 -4.806 . . . 1.0 . . . . . . . . . . . . A . 20 LEU CB . . . . . . . . . rr_2mce 1
. 20 . 6308 . 1 1 20 LEU CD1 C 9.599 -3.938 -5.445 . . . 1.0 . . . . . . . . . . . . A . 20 LEU CD1 . . . . . . . . . rr_2mce 1
. 20 . 6309 . 1 1 20 LEU CD2 C 11.292 -4.532 -7.239 . . . 1.0 . . . . . . . . . . . . A . 20 LEU CD2 . . . . . . . . . rr_2mce 1
. 20 . 6310 . 1 1 20 LEU CG C 10.725 -4.885 -5.862 . . . 1.0 . . . . . . . . . . . . A . 20 LEU CG . . . . . . . . . rr_2mce 1
. 20 . 6311 . 1 1 20 LEU H H 11.347 -6.103 -2.582 . . . 1.0 . . . . . . . . . . . . A . 20 LEU H . . . . . . . . . rr_2mce 1
. 20 . 6312 . 1 1 20 LEU HA H 12.125 -6.978 -5.238 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HA . . . . . . . . . rr_2mce 1
. 20 . 6313 . 1 1 20 LEU HB2 H 11.469 -4.413 -3.912 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HB2 . . . . . . . . . rr_2mce 1
. 20 . 6314 . 1 1 20 LEU HB3 H 12.678 -4.341 -5.177 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HB3 . . . . . . . . . rr_2mce 1
. 20 . 6315 . 1 1 20 LEU HD11 H 8.930 -4.450 -4.753 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HD11 . . . . . . . . . rr_2mce 1
. 20 . 6316 . 1 1 20 LEU HD12 H 10.023 -3.060 -4.958 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HD12 . . . . . . . . . rr_2mce 1
. 20 . 6317 . 1 1 20 LEU HD13 H 9.039 -3.628 -6.328 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HD13 . . . . . . . . . rr_2mce 1
. 20 . 6318 . 1 1 20 LEU HD21 H 10.619 -3.835 -7.740 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HD21 . . . . . . . . . rr_2mce 1
. 20 . 6319 . 1 1 20 LEU HD22 H 12.272 -4.070 -7.121 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HD22 . . . . . . . . . rr_2mce 1
. 20 . 6320 . 1 1 20 LEU HD23 H 11.387 -5.438 -7.836 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HD23 . . . . . . . . . rr_2mce 1
. 20 . 6321 . 1 1 20 LEU HG H 10.295 -5.883 -5.937 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HG . . . . . . . . . rr_2mce 1
. 20 . 6322 . 1 1 20 LEU N N 11.600 -6.801 -3.252 . . . 1.0 . . . . . . . . . . . . A . 20 LEU N . . . . . . . . . rr_2mce 1
. 20 . 6323 . 1 1 20 LEU O O 14.652 -6.407 -5.025 . . . 1.0 . . . . . . . . . . . . A . 20 LEU O . . . . . . . . . rr_2mce 1
. 20 . 6324 . 1 1 21 MET C C 16.156 -7.753 -2.664 . . . 1.0 . . . . . . . . . . . . A . 21 MET C . . . . . . . . . rr_2mce 1
. 20 . 6325 . 1 1 21 MET CA C 15.538 -6.380 -2.391 . . . 1.0 . . . . . . . . . . . . A . 21 MET CA . . . . . . . . . rr_2mce 1
. 20 . 6326 . 1 1 21 MET CB C 15.618 -6.073 -0.894 . . . 1.0 . . . . . . . . . . . . A . 21 MET CB . . . . . . . . . rr_2mce 1
. 20 . 6327 . 1 1 21 MET CE C 17.016 -3.788 1.678 . . . 1.0 . . . . . . . . . . . . A . 21 MET CE . . . . . . . . . rr_2mce 1
. 20 . 6328 . 1 1 21 MET CG C 15.817 -4.575 -0.651 . . . 1.0 . . . . . . . . . . . . A . 21 MET CG . . . . . . . . . rr_2mce 1
. 20 . 6329 . 1 1 21 MET H H 13.480 -6.297 -2.080 . . . 1.0 . . . . . . . . . . . . A . 21 MET H . . . . . . . . . rr_2mce 1
. 20 . 6330 . 1 1 21 MET HA H 16.050 -5.619 -2.980 . . . 1.0 . . . . . . . . . . . . A . 21 MET HA . . . . . . . . . rr_2mce 1
. 20 . 6331 . 1 1 21 MET HB2 H 14.704 -6.406 -0.401 . . . 1.0 . . . . . . . . . . . . A . 21 MET HB2 . . . . . . . . . rr_2mce 1
. 20 . 6332 . 1 1 21 MET HB3 H 16.442 -6.630 -0.448 . . . 1.0 . . . . . . . . . . . . A . 21 MET HB3 . . . . . . . . . rr_2mce 1
. 20 . 6333 . 1 1 21 MET HE1 H 17.629 -3.359 0.885 . . . 1.0 . . . . . . . . . . . . A . 21 MET HE1 . . . . . . . . . rr_2mce 1
. 20 . 6334 . 1 1 21 MET HE2 H 16.925 -3.072 2.494 . . . 1.0 . . . . . . . . . . . . A . 21 MET HE2 . . . . . . . . . rr_2mce 1
. 20 . 6335 . 1 1 21 MET HE3 H 17.485 -4.701 2.046 . . . 1.0 . . . . . . . . . . . . A . 21 MET HE3 . . . . . . . . . rr_2mce 1
. 20 . 6336 . 1 1 21 MET HG2 H 16.853 -4.301 -0.852 . . . 1.0 . . . . . . . . . . . . A . 21 MET HG2 . . . . . . . . . rr_2mce 1
. 20 . 6337 . 1 1 21 MET HG3 H 15.197 -4.001 -1.339 . . . 1.0 . . . . . . . . . . . . A . 21 MET HG3 . . . . . . . . . rr_2mce 1
. 20 . 6338 . 1 1 21 MET N N 14.151 -6.338 -2.821 . . . 1.0 . . . . . . . . . . . . A . 21 MET N . . . . . . . . . rr_2mce 1
. 20 . 6339 . 1 1 21 MET O O 16.554 -8.045 -3.791 . . . 1.0 . . . . . . . . . . . . A . 21 MET O . . . . . . . . . rr_2mce 1
. 20 . 6340 . 1 1 21 MET SD S 15.395 -4.169 1.035 . . . 1.0 . . . . . . . . . . . . A . 21 MET SD . . . . . . . . . rr_2mce 1
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_framecode global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID rr_2mce
_Constraint_stat_list.ID 1
loop_
_Constraint_file.ID
_Constraint_file.Constraint_filename
_Constraint_file.Software_ID
_Constraint_file.Software_label
_Constraint_file.Software_name
_Constraint_file.Block_ID
_Constraint_file.Constraint_type
_Constraint_file.Constraint_subtype
_Constraint_file.Constraint_subsubtype
_Constraint_file.Constraint_number
_Constraint_file.Entry_ID
_Constraint_file.Constraint_stat_list_ID
1 2mce.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 rr_2mce 1
1 2mce.mr . . unknown 2 distance NOE simple 0 rr_2mce 1
1 2mce.mr . . unknown 3 distance "hydrogen bond" simple 0 rr_2mce 1
1 2mce.mr . . DYANA/DIANA 4 "dihedral angle" "Not applicable" "Not applicable" 20 rr_2mce 1
1 2mce.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable" 0 rr_2mce 1
stop_
save_
save_constraint_statistics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Sf_framecode constraint_statistics
_Constraint_stat_list.Entry_ID rr_2mce
_Constraint_stat_list.ID 1
loop_
_Constraint_file.ID
_Constraint_file.Constraint_filename
_Constraint_file.Software_ID
_Constraint_file.Software_label
_Constraint_file.Software_name
_Constraint_file.Block_ID
_Constraint_file.Constraint_type
_Constraint_file.Constraint_subtype
_Constraint_file.Constraint_subsubtype
_Constraint_file.Constraint_number
_Constraint_file.Entry_ID
_Constraint_file.Constraint_stat_list_ID
1 "From CCPN project: '2mce'" . . . . "dihedral angle" "Not applicable" . 20 rr_2mce 1
stop_
loop_
_Constraint_file.ID
_Constraint_file.Constraint_filename
_Constraint_file.Software_ID
_Constraint_file.Software_label
_Constraint_file.Software_name
_Constraint_file.Block_ID
_Constraint_file.Constraint_type
_Constraint_file.Constraint_subtype
_Constraint_file.Constraint_subsubtype
_Constraint_file.Constraint_number
_Constraint_file.Entry_ID
_Constraint_file.Constraint_stat_list_ID
1 2mce.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 rr_2mce 1
1 2mce.mr . . unknown 2 distance NOE simple 0 rr_2mce 1
1 2mce.mr . . unknown 3 distance "hydrogen bond" simple 0 rr_2mce 1
1 2mce.mr . . DYANA/DIANA 4 "dihedral angle" "Not applicable" "Not applicable" 20 rr_2mce 1
1 2mce.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable" 0 rr_2mce 1
stop_
save_
save_DYANA/DIANA_dihedral_4
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Sf_framecode DYANA/DIANA_dihedral_4
_Torsion_angle_constraint_list.Entry_ID rr_2mce
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Details "Generated by Wattos"
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 4
loop_
_Torsion_angle_constraint_software.Software_ID
_Torsion_angle_constraint_software.Software_label
_Torsion_angle_constraint_software.Method_ID
_Torsion_angle_constraint_software.Method_label
_Torsion_angle_constraint_software.Entry_ID
_Torsion_angle_constraint_software.Torsion_angle_constraint_list_ID
. . . . rr_2mce 1
stop_
loop_
_Torsion_angle_constraint.ID
_Torsion_angle_constraint.Torsion_angle_name
_Torsion_angle_constraint.Assembly_atom_ID_1
_Torsion_angle_constraint.Entity_assembly_ID_1
_Torsion_angle_constraint.Entity_ID_1
_Torsion_angle_constraint.Comp_index_ID_1
_Torsion_angle_constraint.Seq_ID_1
_Torsion_angle_constraint.Comp_ID_1
_Torsion_angle_constraint.Atom_ID_1
_Torsion_angle_constraint.Atom_type_1
_Torsion_angle_constraint.Resonance_ID_1
_Torsion_angle_constraint.Assembly_atom_ID_2
_Torsion_angle_constraint.Entity_assembly_ID_2
_Torsion_angle_constraint.Entity_ID_2
_Torsion_angle_constraint.Comp_index_ID_2
_Torsion_angle_constraint.Seq_ID_2
_Torsion_angle_constraint.Comp_ID_2
_Torsion_angle_constraint.Atom_ID_2
_Torsion_angle_constraint.Atom_type_2
_Torsion_angle_constraint.Resonance_ID_2
_Torsion_angle_constraint.Assembly_atom_ID_3
_Torsion_angle_constraint.Entity_assembly_ID_3
_Torsion_angle_constraint.Entity_ID_3
_Torsion_angle_constraint.Comp_index_ID_3
_Torsion_angle_constraint.Seq_ID_3
_Torsion_angle_constraint.Comp_ID_3
_Torsion_angle_constraint.Atom_ID_3
_Torsion_angle_constraint.Atom_type_3
_Torsion_angle_constraint.Resonance_ID_3
_Torsion_angle_constraint.Assembly_atom_ID_4
_Torsion_angle_constraint.Entity_assembly_ID_4
_Torsion_angle_constraint.Entity_ID_4
_Torsion_angle_constraint.Comp_index_ID_4
_Torsion_angle_constraint.Seq_ID_4
_Torsion_angle_constraint.Comp_ID_4
_Torsion_angle_constraint.Atom_ID_4
_Torsion_angle_constraint.Atom_type_4
_Torsion_angle_constraint.Resonance_ID_4
_Torsion_angle_constraint.Angle_lower_bound_val
_Torsion_angle_constraint.Angle_upper_bound_val
_Torsion_angle_constraint.Source_experiment_ID
_Torsion_angle_constraint.PDB_record_ID_1
_Torsion_angle_constraint.PDB_model_num_1
_Torsion_angle_constraint.PDB_strand_ID_1
_Torsion_angle_constraint.PDB_ins_code_1
_Torsion_angle_constraint.PDB_residue_no_1
_Torsion_angle_constraint.PDB_residue_name_1
_Torsion_angle_constraint.PDB_atom_name_1
_Torsion_angle_constraint.PDB_record_ID_2
_Torsion_angle_constraint.PDB_model_num_2
_Torsion_angle_constraint.PDB_strand_ID_2
_Torsion_angle_constraint.PDB_ins_code_2
_Torsion_angle_constraint.PDB_residue_no_2
_Torsion_angle_constraint.PDB_residue_name_2
_Torsion_angle_constraint.PDB_atom_name_2
_Torsion_angle_constraint.PDB_record_ID_3
_Torsion_angle_constraint.PDB_model_num_3
_Torsion_angle_constraint.PDB_strand_ID_3
_Torsion_angle_constraint.PDB_ins_code_3
_Torsion_angle_constraint.PDB_residue_no_3
_Torsion_angle_constraint.PDB_residue_name_3
_Torsion_angle_constraint.PDB_atom_name_3
_Torsion_angle_constraint.PDB_record_ID_4
_Torsion_angle_constraint.PDB_model_num_4
_Torsion_angle_constraint.PDB_strand_ID_4
_Torsion_angle_constraint.PDB_ins_code_4
_Torsion_angle_constraint.PDB_residue_no_4
_Torsion_angle_constraint.PDB_residue_name_4
_Torsion_angle_constraint.PDB_atom_name_4
_Torsion_angle_constraint.Auth_entity_assembly_ID_1
_Torsion_angle_constraint.Auth_asym_ID_1
_Torsion_angle_constraint.Auth_chain_ID_1
_Torsion_angle_constraint.Auth_seq_ID_1
_Torsion_angle_constraint.Auth_comp_ID_1
_Torsion_angle_constraint.Auth_atom_ID_1
_Torsion_angle_constraint.Auth_alt_ID_1
_Torsion_angle_constraint.Auth_atom_name_1
_Torsion_angle_constraint.Auth_entity_assembly_ID_2
_Torsion_angle_constraint.Auth_asym_ID_2
_Torsion_angle_constraint.Auth_chain_ID_2
_Torsion_angle_constraint.Auth_seq_ID_2
_Torsion_angle_constraint.Auth_comp_ID_2
_Torsion_angle_constraint.Auth_atom_ID_2
_Torsion_angle_constraint.Auth_alt_ID_2
_Torsion_angle_constraint.Auth_atom_name_2
_Torsion_angle_constraint.Auth_entity_assembly_ID_3
_Torsion_angle_constraint.Auth_asym_ID_3
_Torsion_angle_constraint.Auth_chain_ID_3
_Torsion_angle_constraint.Auth_seq_ID_3
_Torsion_angle_constraint.Auth_comp_ID_3
_Torsion_angle_constraint.Auth_atom_ID_3
_Torsion_angle_constraint.Auth_alt_ID_3
_Torsion_angle_constraint.Auth_atom_name_3
_Torsion_angle_constraint.Auth_entity_assembly_ID_4
_Torsion_angle_constraint.Auth_asym_ID_4
_Torsion_angle_constraint.Auth_chain_ID_4
_Torsion_angle_constraint.Auth_seq_ID_4
_Torsion_angle_constraint.Auth_comp_ID_4
_Torsion_angle_constraint.Auth_atom_ID_4
_Torsion_angle_constraint.Auth_alt_ID_4
_Torsion_angle_constraint.Auth_atom_name_4
_Torsion_angle_constraint.Entry_ID
_Torsion_angle_constraint.Torsion_angle_constraint_list_ID
1 PHI . 1 1 1 1 ASP C C . . 1 1 2 2 ALA N N . . 1 1 2 2 ALA CA C . . 1 1 2 2 ALA C C . -90.0 -70.0 . . . A . 1 ASP C . . A . 2 ALA N . . A . 2 ALA CA . . A . 2 ALA C . . . 2 ALA . . . . . . 2 ALA . . . . . . 2 ALA . . . . . . 2 ALA . . . rr_2mce 1
2 PHI . 1 1 2 2 ALA C C . . 1 1 3 3 GLY N N . . 1 1 3 3 GLY CA C . . 1 1 3 3 GLY C C . -90.0 -70.0 . . . A . 2 ALA C . . A . 3 GLY N . . A . 3 GLY CA . . A . 3 GLY C . . . 3 GLY . . . . . . 3 GLY . . . . . . 3 GLY . . . . . . 3 GLY . . . rr_2mce 1
3 PHI . 1 1 3 3 GLY C C . . 1 1 4 4 HIS N N . . 1 1 4 4 HIS CA C . . 1 1 4 4 HIS C C . -85.0 -65.0 . . . A . 3 GLY C . . A . 4 HIS N . . A . 4 HIS CA . . A . 4 HIS C . . . 4 HIS . . . . . . 4 HIS . . . . . . 4 HIS . . . . . . 4 HIS . . . rr_2mce 1
4 PHI . 1 1 4 4 HIS C C . . 1 1 5 5 GLY N N . . 1 1 5 5 GLY CA C . . 1 1 5 5 GLY C C . -85.0 -65.0 . . . A . 4 HIS C . . A . 5 GLY N . . A . 5 GLY CA . . A . 5 GLY C . . . 5 GLY . . . . . . 5 GLY . . . . . . 5 GLY . . . . . . 5 GLY . . . rr_2mce 1
5 PHI . 1 1 5 5 GLY C C . . 1 1 6 6 GLN N N . . 1 1 6 6 GLN CA C . . 1 1 6 6 GLN C C . -75.0 -55.0 . . . A . 5 GLY C . . A . 6 GLN N . . A . 6 GLN CA . . A . 6 GLN C . . . 6 GLN . . . . . . 6 GLN . . . . . . 6 GLN . . . . . . 6 GLN . . . rr_2mce 1
6 PHI . 1 1 6 6 GLN C C . . 1 1 7 7 ILE N N . . 1 1 7 7 ILE CA C . . 1 1 7 7 ILE C C . -85.0 -65.0 . . . A . 6 GLN C . . A . 7 ILE N . . A . 7 ILE CA . . A . 7 ILE C . . . 7 ILE . . . . . . 7 ILE . . . . . . 7 ILE . . . . . . 7 ILE . . . rr_2mce 1
7 PHI . 1 1 7 7 ILE C C . . 1 1 8 8 SER N N . . 1 1 8 8 SER CA C . . 1 1 8 8 SER C C . -85.0 -65.0 . . . A . 7 ILE C . . A . 8 SER N . . A . 8 SER CA . . A . 8 SER C . . . 8 SER . . . . . . 8 SER . . . . . . 8 SER . . . . . . 8 SER . . . rr_2mce 1
8 PHI . 1 1 8 8 SER C C . . 1 1 9 9 HIS N N . . 1 1 9 9 HIS CA C . . 1 1 9 9 HIS C C . -85.0 -65.0 . . . A . 8 SER C . . A . 9 HIS N . . A . 9 HIS CA . . A . 9 HIS C . . . 9 HIS . . . . . . 9 HIS . . . . . . 9 HIS . . . . . . 9 HIS . . . rr_2mce 1
9 PHI . 1 1 9 9 HIS C C . . 1 1 10 10 LYS N N . . 1 1 10 10 LYS CA C . . 1 1 10 10 LYS C C . -85.0 -65.0 . . . A . 9 HIS C . . A . 10 LYS N . . A . 10 LYS CA . . A . 10 LYS C . . . 10 LYS . . . . . . 10 LYS . . . . . . 10 LYS . . . . . . 10 LYS . . . rr_2mce 1
10 PHI . 1 1 10 10 LYS C C . . 1 1 11 11 ARG N N . . 1 1 11 11 ARG CA C . . 1 1 11 11 ARG C C . -85.0 -65.0 . . . A . 10 LYS C . . A . 11 ARG N . . A . 11 ARG CA . . A . 11 ARG C . . . 11 ARG . . . . . . 11 ARG . . . . . . 11 ARG . . . . . . 11 ARG . . . rr_2mce 1
11 PHI . 1 1 11 11 ARG C C . . 1 1 12 12 HIS N N . . 1 1 12 12 HIS CA C . . 1 1 12 12 HIS C C . -85.0 -65.0 . . . A . 11 ARG C . . A . 12 HIS N . . A . 12 HIS CA . . A . 12 HIS C . . . 12 HIS . . . . . . 12 HIS . . . . . . 12 HIS . . . . . . 12 HIS . . . rr_2mce 1
12 PHI . 1 1 12 12 HIS C C . . 1 1 13 13 LYS N N . . 1 1 13 13 LYS CA C . . 1 1 13 13 LYS C C . -75.0 -55.0 . . . A . 12 HIS C . . A . 13 LYS N . . A . 13 LYS CA . . A . 13 LYS C . . . 13 LYS . . . . . . 13 LYS . . . . . . 13 LYS . . . . . . 13 LYS . . . rr_2mce 1
13 PHI . 1 1 13 13 LYS C C . . 1 1 14 14 THR N N . . 1 1 14 14 THR CA C . . 1 1 14 14 THR C C . -75.0 -55.0 . . . A . 13 LYS C . . A . 14 THR N . . A . 14 THR CA . . A . 14 THR C . . . 14 THR . . . . . . 14 THR . . . . . . 14 THR . . . . . . 14 THR . . . rr_2mce 1
14 PHI . 1 1 14 14 THR C C . . 1 1 15 15 ASP N N . . 1 1 15 15 ASP CA C . . 1 1 15 15 ASP C C . -75.0 -55.0 . . . A . 14 THR C . . A . 15 ASP N . . A . 15 ASP CA . . A . 15 ASP C . . . 15 ASP . . . . . . 15 ASP . . . . . . 15 ASP . . . . . . 15 ASP . . . rr_2mce 1
15 PHI . 1 1 15 15 ASP C C . . 1 1 16 16 SER N N . . 1 1 16 16 SER CA C . . 1 1 16 16 SER C C . -75.0 -55.0 . . . A . 15 ASP C . . A . 16 SER N . . A . 16 SER CA . . A . 16 SER C . . . 16 SER . . . . . . 16 SER . . . . . . 16 SER . . . . . . 16 SER . . . rr_2mce 1
16 PHI . 1 1 16 16 SER C C . . 1 1 17 17 PHE N N . . 1 1 17 17 PHE CA C . . 1 1 17 17 PHE C C . -75.0 -55.0 . . . A . 16 SER C . . A . 17 PHE N . . A . 17 PHE CA . . A . 17 PHE C . . . 17 PHE . . . . . . 17 PHE . . . . . . 17 PHE . . . . . . 17 PHE . . . rr_2mce 1
17 PHI . 1 1 17 17 PHE C C . . 1 1 18 18 VAL N N . . 1 1 18 18 VAL CA C . . 1 1 18 18 VAL C C . -75.0 -55.0 . . . A . 17 PHE C . . A . 18 VAL N . . A . 18 VAL CA . . A . 18 VAL C . . . 18 VAL . . . . . . 18 VAL . . . . . . 18 VAL . . . . . . 18 VAL . . . rr_2mce 1
18 PHI . 1 1 18 18 VAL C C . . 1 1 19 19 GLY N N . . 1 1 19 19 GLY CA C . . 1 1 19 19 GLY C C . -85.0 -65.0 . . . A . 18 VAL C . . A . 19 GLY N . . A . 19 GLY CA . . A . 19 GLY C . . . 19 GLY . . . . . . 19 GLY . . . . . . 19 GLY . . . . . . 19 GLY . . . rr_2mce 1
19 PHI . 1 1 19 19 GLY C C . . 1 1 20 20 LEU N N . . 1 1 20 20 LEU CA C . . 1 1 20 20 LEU C C . -90.0 -70.0 . . . A . 19 GLY C . . A . 20 LEU N . . A . 20 LEU CA . . A . 20 LEU C . . . 20 LEU . . . . . . 20 LEU . . . . . . 20 LEU . . . . . . 20 LEU . . . rr_2mce 1
20 PHI . 1 1 20 20 LEU C C . . 1 1 21 21 MET N N . . 1 1 21 21 MET CA C . . 1 1 21 21 MET C C . -90.0 -70.0 . . . A . 20 LEU C . . A . 21 MET N . . A . 21 MET CA . . A . 21 MET C . . . 21 MET . . . . . . 21 MET . . . . . . 21 MET . . . . . . 21 MET . . . rr_2mce 1
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save_MR_file_comment_1
_Org_constr_file_comment.Sf_framecode MR_file_comment_1
_Org_constr_file_comment.Sf_category org_constr_file_comment
_Org_constr_file_comment.Entry_ID rr_2mce
_Org_constr_file_comment.ID 1
_Org_constr_file_comment.Constraint_file_ID 1
_Org_constr_file_comment.Block_ID 1
_Org_constr_file_comment.Details "Generated by Wattos"
_Org_constr_file_comment.Comment "*HEADER NEUROPEPTIDE 19-AUG-13 2MCE *TITLE MEMBRANE INDUCED STRUCTURE OF THE MAMMALIAN TACHYKININ NEUROPEPTIDE *TITLE 2 GAMMA *COMPND MOL_ID: 1; *COMPND 2 MOLECULE: NEUROPEPTIDE GAMMA; *COMPND 3 CHAIN: A; *COMPND 4 SYNONYM: NPGAMMA, PROTACHYKININ-1; *COMPND 5 ENGINEERED: YES *SOURCE MOL_ID: 1; *SOURCE 2 SYNTHETIC: YES; *SOURCE 3 OTHER_DETAILS: CUSTOM SYNTHESIS OF PEPTIDE WITH >99% PURITY *KEYWDS TACHYKININ, NK-2 SELECTIVE AGONISTS, NEUROPEPTIDE GAMMA, BIOACTIVE *KEYWDS 2 PEPTIDE, PEPTIDE MEMBRANE INTERACTION, NEUROPEPTIDE *EXPDTA SOLUTION NMR *NUMMDL 20 *AUTHOR I.R.CHANDRASHEKAR, A.GANJIWALE, S.M.COWSIK *REVDAT 1 25-SEP-13 2MCE 0"
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