NMR Restraints Grid

Result table
 (Save to zip file containing files for each block)

image mrblock_id pdb_id bmrb_id cing stage program type subtype item_count
575039 2m73 19170 cing 4-filtered-FRED STAR entry full 398


data_FRED_restraints_with_modified_coordinates_PDB_code_2m73

# This FRED archive file contains, for PDB entry <2m73>:
# 
# - 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_Conversion_project_for_entry_Name_1
    _Study_list.Sf_category  study_list
    _Study_list.Entry_ID     1
    _Study_list.ID           1

    loop_
       _Study.ID
       _Study.Name
       _Study.Type
       _Study.Details
       _Study.Entry_ID
       _Study.Study_list_ID

       1 "Conversion project for entry 1" NMR . 1 1 
    stop_

save_


save_originalConstraints_1
    _Entry.PDB_coordinate_file_version  .
    _Entry.Sf_category                  entry_information
    _Entry.ID                           1
    _Entry.Title                        "Data for entry 1"
    _Entry.NMR_STAR_version             3.1.0.8
    _Entry.Experimental_method          NMR
    _Entry.Details                      .

save_


save_assembly_2m73
    _Assembly.Sf_category           assembly
    _Assembly.Entry_ID              1
    _Assembly.ID                    1
    _Assembly.Name                  2m73
    _Assembly.Number_of_components  1
    _Assembly.Organic_ligands       .
    _Assembly.Metal_ions            .
    _Assembly.Paramagnetic          .
    _Assembly.Thiol_state           "not present"
    _Assembly.Molecular_mass        3091.66

    loop_
       _Entity_assembly.ID
       _Entity_assembly.Entity_assembly_name
       _Entity_assembly.Entity_ID
       _Entity_assembly.Entity_label
       _Entity_assembly.Asym_ID
       _Entity_assembly.Details
       _Entity_assembly.Entry_ID
       _Entity_assembly.Assembly_ID

       1 . 1 $Calcium_transporting_ATPase_8__plasma_membrane_type A . 1 1 
    stop_

save_


save_Calcium_transporting_ATPase_8__plasma_membrane_type
    _Entity.Sf_category                  entity
    _Entity.Entry_ID                     1
    _Entity.ID                           1
    _Entity.Name                         "Calcium transporting ATPase 8  plasma membrane type"
    _Entity.Type                         polymer
    _Entity.Polymer_type                 polypeptide(L)
    _Entity.Polymer_seq_one_letter_code  RLQQWRKAALVLNASRRFRYTLDLK
    _Entity.Number_of_monomers           25

    loop_
       _Entity_comp_index.ID
       _Entity_comp_index.Comp_ID
       _Entity_comp_index.Comp_label
       _Entity_comp_index.Entry_ID
       _Entity_comp_index.Entity_ID

        1 ARG . 1 1 
        2 LEU . 1 1 
        3 GLN . 1 1 
        4 GLN . 1 1 
        5 TRP . 1 1 
        6 ARG . 1 1 
        7 LYS . 1 1 
        8 ALA . 1 1 
        9 ALA . 1 1 
       10 LEU . 1 1 
       11 VAL . 1 1 
       12 LEU . 1 1 
       13 ASN . 1 1 
       14 ALA . 1 1 
       15 SER . 1 1 
       16 ARG . 1 1 
       17 ARG . 1 1 
       18 PHE . 1 1 
       19 ARG . 1 1 
       20 TYR . 1 1 
       21 THR . 1 1 
       22 LEU . 1 1 
       23 ASP . 1 1 
       24 LEU . 1 1 
       25 LYS . 1 1 
    stop_

    loop_
       _Entity_poly_seq.Mon_ID
       _Entity_poly_seq.Num
       _Entity_poly_seq.Comp_index_ID
       _Entity_poly_seq.Entry_ID
       _Entity_poly_seq.Entity_ID

       ARG  1  1 1 1 
       LEU  2  2 1 1 
       GLN  3  3 1 1 
       GLN  4  4 1 1 
       TRP  5  5 1 1 
       ARG  6  6 1 1 
       LYS  7  7 1 1 
       ALA  8  8 1 1 
       ALA  9  9 1 1 
       LEU 10 10 1 1 
       VAL 11 11 1 1 
       LEU 12 12 1 1 
       ASN 13 13 1 1 
       ALA 14 14 1 1 
       SER 15 15 1 1 
       ARG 16 16 1 1 
       ARG 17 17 1 1 
       PHE 18 18 1 1 
       ARG 19 19 1 1 
       TYR 20 20 1 1 
       THR 21 21 1 1 
       LEU 22 22 1 1 
       ASP 23 23 1 1 
       LEU 24 24 1 1 
       LYS 25 25 1 1 
    stop_

save_


save_DYANA/DIANA_distance_constraints_2_1
    _Distance_constraint_list.Sf_category         distance_constraints
    _Distance_constraint_list.Entry_ID            1
    _Distance_constraint_list.ID                  1
    _Distance_constraint_list.Constraint_type     NOE
    _Distance_constraint_list.Constraint_file_ID  .
    _Distance_constraint_list.Block_ID            .

    loop_
       _Dist_constraint_tree.Constraint_ID
       _Dist_constraint_tree.Node_ID
       _Dist_constraint_tree.Down_node_ID
       _Dist_constraint_tree.Right_node_ID
       _Dist_constraint_tree.Logic_operation
       _Dist_constraint_tree.Entry_ID
       _Dist_constraint_tree.Distance_constraint_list_ID

         1 1 . . . 1 1 
         2 1 . . . 1 1 
         3 1 . . . 1 1 
         4 1 . . . 1 1 
         5 1 . . . 1 1 
         6 1 . . . 1 1 
         7 1 . . . 1 1 
         8 1 . . . 1 1 
         9 1 . . . 1 1 
        10 1 . . . 1 1 
        11 1 . . . 1 1 
        12 1 . . . 1 1 
        13 1 . . . 1 1 
        14 1 . . . 1 1 
        15 1 . . . 1 1 
        16 1 . . . 1 1 
        17 1 . . . 1 1 
        18 1 . . . 1 1 
        19 1 . . . 1 1 
        20 1 . . . 1 1 
        21 1 . . . 1 1 
        22 1 . . . 1 1 
        23 1 . . . 1 1 
        24 1 . . . 1 1 
        25 1 . . . 1 1 
        26 1 . . . 1 1 
        27 1 . . . 1 1 
        28 1 . . . 1 1 
        29 1 . . . 1 1 
        30 1 . . . 1 1 
        31 1 . . . 1 1 
        32 1 . . . 1 1 
        33 1 . . . 1 1 
        34 1 . . . 1 1 
        35 1 . . . 1 1 
        36 1 . . . 1 1 
        37 1 . . . 1 1 
        38 1 . . . 1 1 
        39 1 . . . 1 1 
        40 1 . . . 1 1 
        41 1 . . . 1 1 
        42 1 . . . 1 1 
        43 1 . . . 1 1 
        44 1 . . . 1 1 
        45 1 . . . 1 1 
        46 1 . . . 1 1 
        47 1 . . . 1 1 
        48 1 . . . 1 1 
        49 1 . . . 1 1 
        50 1 . . . 1 1 
        51 1 . . . 1 1 
        52 1 . . . 1 1 
        53 1 . . . 1 1 
        54 1 . . . 1 1 
        55 1 . . . 1 1 
        56 1 . . . 1 1 
        57 1 . . . 1 1 
        58 1 . . . 1 1 
        59 1 . . . 1 1 
        60 1 . . . 1 1 
        61 1 . . . 1 1 
        62 1 . . . 1 1 
        63 1 . . . 1 1 
        64 1 . . . 1 1 
        65 1 . . . 1 1 
        66 1 . . . 1 1 
        67 1 . . . 1 1 
        68 1 . . . 1 1 
        69 1 . . . 1 1 
        70 1 . . . 1 1 
        71 1 . . . 1 1 
        72 1 . . . 1 1 
        73 1 . . . 1 1 
        74 1 . . . 1 1 
        75 1 . . . 1 1 
        76 1 . . . 1 1 
        77 1 . . . 1 1 
        78 1 . . . 1 1 
        79 1 . . . 1 1 
        80 1 . . . 1 1 
        81 1 . . . 1 1 
        82 1 . . . 1 1 
        83 1 . . . 1 1 
        84 1 . . . 1 1 
        85 1 . . . 1 1 
        86 1 . . . 1 1 
        87 1 . . . 1 1 
        88 1 . . . 1 1 
        89 1 . . . 1 1 
        90 1 . . . 1 1 
        91 1 . . . 1 1 
        92 1 . . . 1 1 
        93 1 . . . 1 1 
        94 1 . . . 1 1 
        95 1 . . . 1 1 
        96 1 . . . 1 1 
        97 1 . . . 1 1 
        98 1 . . . 1 1 
        99 1 . . . 1 1 
       100 1 . . . 1 1 
       101 1 . . . 1 1 
       102 1 . . . 1 1 
       103 1 . . . 1 1 
       104 1 . . . 1 1 
       105 1 . . . 1 1 
       106 1 . . . 1 1 
       107 1 . . . 1 1 
       108 1 . . . 1 1 
       109 1 . . . 1 1 
       110 1 . . . 1 1 
       111 1 . . . 1 1 
       112 1 . . . 1 1 
       113 1 . . . 1 1 
       114 1 . . . 1 1 
       115 1 . . . 1 1 
       116 1 . . . 1 1 
       117 1 . . . 1 1 
       118 1 . . . 1 1 
       119 1 . . . 1 1 
       120 1 . . . 1 1 
       121 1 . . . 1 1 
       122 1 . . . 1 1 
       123 1 . . . 1 1 
       124 1 . . . 1 1 
       125 1 . . . 1 1 
       126 1 . . . 1 1 
       127 1 . . . 1 1 
       128 1 . . . 1 1 
       129 1 . . . 1 1 
       130 1 . . . 1 1 
       131 1 . . . 1 1 
       132 1 . . . 1 1 
       133 1 . . . 1 1 
       134 1 . . . 1 1 
       135 1 . . . 1 1 
       136 1 . . . 1 1 
       137 1 . . . 1 1 
       138 1 . . . 1 1 
       139 1 . . . 1 1 
       140 1 . . . 1 1 
       141 1 . . . 1 1 
       142 1 . . . 1 1 
       143 1 . . . 1 1 
       144 1 . . . 1 1 
       145 1 . . . 1 1 
       146 1 . . . 1 1 
       147 1 . . . 1 1 
       148 1 . . . 1 1 
       149 1 . . . 1 1 
       150 1 . . . 1 1 
       151 1 . . . 1 1 
       152 1 . . . 1 1 
       153 1 . . . 1 1 
       154 1 . . . 1 1 
       155 1 . . . 1 1 
       156 1 . . . 1 1 
       157 1 . . . 1 1 
       158 1 . . . 1 1 
       159 1 . . . 1 1 
       160 1 . . . 1 1 
       161 1 . . . 1 1 
       162 1 . . . 1 1 
       163 1 . . . 1 1 
       164 1 . . . 1 1 
       165 1 . . . 1 1 
       166 1 . . . 1 1 
       167 1 . . . 1 1 
       168 1 . . . 1 1 
       169 1 . . . 1 1 
       170 1 . . . 1 1 
       171 1 . . . 1 1 
       172 1 . . . 1 1 
       173 1 . . . 1 1 
       174 1 . . . 1 1 
       175 1 . . . 1 1 
       176 1 . . . 1 1 
       177 1 . . . 1 1 
       178 1 . . . 1 1 
       179 1 . . . 1 1 
       180 1 . . . 1 1 
       181 1 . . . 1 1 
       182 1 . . . 1 1 
       183 1 . . . 1 1 
       184 1 . . . 1 1 
       185 1 . . . 1 1 
       186 1 . . . 1 1 
       187 1 . . . 1 1 
       188 1 . . . 1 1 
       189 1 . . . 1 1 
       190 1 . . . 1 1 
       191 1 . . . 1 1 
       192 1 . . . 1 1 
       193 1 . . . 1 1 
       194 1 . . . 1 1 
       195 1 . . . 1 1 
       196 1 . . . 1 1 
       197 1 . . . 1 1 
       198 1 . . . 1 1 
       199 1 . . . 1 1 
       200 1 . . . 1 1 
       201 1 . . . 1 1 
       202 1 . . . 1 1 
       203 1 . . . 1 1 
       204 1 . . . 1 1 
       205 1 . . . 1 1 
       206 1 . . . 1 1 
       207 1 . . . 1 1 
       208 1 . . . 1 1 
       209 1 . . . 1 1 
       210 1 . . . 1 1 
       211 1 . . . 1 1 
       212 1 . . . 1 1 
       213 1 . . . 1 1 
       214 1 . . . 1 1 
       215 1 . . . 1 1 
       216 1 . . . 1 1 
       217 1 . . . 1 1 
       218 1 . . . 1 1 
       219 1 . . . 1 1 
       220 1 . . . 1 1 
       221 1 . . . 1 1 
       222 1 . . . 1 1 
       223 1 . . . 1 1 
       224 1 . . . 1 1 
       225 1 . . . 1 1 
       226 1 . . . 1 1 
       227 1 . . . 1 1 
       228 1 . . . 1 1 
       229 1 . . . 1 1 
       230 1 . . . 1 1 
       231 1 . . . 1 1 
       232 1 . . . 1 1 
       233 1 . . . 1 1 
       234 1 . . . 1 1 
       235 1 . . . 1 1 
       236 1 . . . 1 1 
       237 1 . . . 1 1 
       238 1 . . . 1 1 
       239 1 . . . 1 1 
       240 1 . . . 1 1 
       241 1 . . . 1 1 
       242 1 . . . 1 1 
       243 1 . . . 1 1 
       244 1 . . . 1 1 
       245 1 . . . 1 1 
       246 1 . . . 1 1 
       247 1 . . . 1 1 
       248 1 . . . 1 1 
       249 1 . . . 1 1 
       250 1 . . . 1 1 
       251 1 . . . 1 1 
       252 1 . . . 1 1 
       253 1 . . . 1 1 
       254 1 . . . 1 1 
       255 1 . . . 1 1 
       256 1 . . . 1 1 
       257 1 . . . 1 1 
       258 1 . . . 1 1 
       259 1 . . . 1 1 
       260 1 . . . 1 1 
       261 1 . . . 1 1 
       262 1 . . . 1 1 
       263 1 . . . 1 1 
       264 1 . . . 1 1 
       265 1 . . . 1 1 
       266 1 . . . 1 1 
       267 1 . . . 1 1 
       268 1 . . . 1 1 
       269 1 . . . 1 1 
       270 1 . . . 1 1 
       271 1 . . . 1 1 
       272 1 . . . 1 1 
       273 1 . . . 1 1 
       274 1 . . . 1 1 
       275 1 . . . 1 1 
       276 1 . . . 1 1 
       277 1 . . . 1 1 
       278 1 . . . 1 1 
       279 1 . . . 1 1 
       280 1 . . . 1 1 
       281 1 . . . 1 1 
       282 1 . . . 1 1 
       283 1 . . . 1 1 
       284 1 . . . 1 1 
       285 1 . . . 1 1 
       286 1 . . . 1 1 
       287 1 . . . 1 1 
       288 1 . . . 1 1 
       289 1 . . . 1 1 
       290 1 . . . 1 1 
       291 1 . . . 1 1 
       292 1 . . . 1 1 
       293 1 . . . 1 1 
       294 1 . . . 1 1 
       295 1 . . . 1 1 
       296 1 . . . 1 1 
       297 1 . . . 1 1 
       298 1 . . . 1 1 
       299 1 . . . 1 1 
       300 1 . . . 1 1 
       301 1 . . . 1 1 
       302 1 . . . 1 1 
       303 1 . . . 1 1 
       304 1 . . . 1 1 
       305 1 . . . 1 1 
       306 1 . . . 1 1 
       307 1 . . . 1 1 
       308 1 . . . 1 1 
       309 1 . . . 1 1 
       310 1 . . . 1 1 
       311 1 . . . 1 1 
       312 1 . . . 1 1 
       313 1 . . . 1 1 
       314 1 . . . 1 1 
       315 1 . . . 1 1 
       316 1 . . . 1 1 
       317 1 . . . 1 1 
       318 1 . . . 1 1 
       319 1 . . . 1 1 
       320 1 . . . 1 1 
       321 1 . . . 1 1 
       322 1 . . . 1 1 
       323 1 . . . 1 1 
       324 1 . . . 1 1 
       325 1 . . . 1 1 
       326 1 . . . 1 1 
       327 1 . . . 1 1 
       328 1 . . . 1 1 
       329 1 . . . 1 1 
       330 1 . . . 1 1 
       331 1 . . . 1 1 
       332 1 . . . 1 1 
       333 1 . . . 1 1 
       334 1 . . . 1 1 
       335 1 . . . 1 1 
       336 1 . . . 1 1 
       337 1 . . . 1 1 
       338 1 . . . 1 1 
       339 1 . . . 1 1 
       340 1 . . . 1 1 
       341 1 . . . 1 1 
       342 1 . . . 1 1 
       343 1 . . . 1 1 
       344 1 . . . 1 1 
       345 1 . . . 1 1 
       346 1 . . . 1 1 
       347 1 . . . 1 1 
       348 1 . . . 1 1 
       349 1 . . . 1 1 
       350 1 . . . 1 1 
       351 1 . . . 1 1 
       352 1 . . . 1 1 
       353 1 . . . 1 1 
       354 1 . . . 1 1 
       355 1 . . . 1 1 
       356 1 . . . 1 1 
       357 1 . . . 1 1 
       358 1 . . . 1 1 
       359 1 . . . 1 1 
       360 1 . . . 1 1 
       361 1 . . . 1 1 
       362 1 . . . 1 1 
       363 1 . . . 1 1 
       364 1 . . . 1 1 
       365 1 . . . 1 1 
       366 1 . . . 1 1 
       367 1 . . . 1 1 
       368 1 . . . 1 1 
       369 1 . . . 1 1 
       370 1 . . . 1 1 
       371 1 . . . 1 1 
       372 1 . . . 1 1 
       373 1 . . . 1 1 
       374 1 . . . 1 1 
       375 1 . . . 1 1 
       376 1 . . . 1 1 
       377 1 . . . 1 1 
       378 1 . . . 1 1 
       379 1 . . . 1 1 
       380 1 . . . 1 1 
       381 1 . . . 1 1 
       382 1 . . . 1 1 
       383 1 . . . 1 1 
       384 1 . . . 1 1 
       385 1 . . . 1 1 
       386 1 . . . 1 1 
       387 1 . . . 1 1 
       388 1 . . . 1 1 
       389 1 . . . 1 1 
       390 1 . . . 1 1 
       391 1 . . . 1 1 
       392 1 . . . 1 1 
       393 1 . . . 1 1 
       394 1 . . . 1 1 
       395 1 . . . 1 1 
       396 1 . . . 1 1 
       397 1 . . . 1 1 
       398 1 . . . 1 1 
    stop_

    loop_
       _Dist_constraint.Tree_node_member_constraint_ID
       _Dist_constraint.Tree_node_member_node_ID
       _Dist_constraint.Constraint_tree_node_member_ID
       _Dist_constraint.Entity_assembly_ID
       _Dist_constraint.Entity_ID
       _Dist_constraint.Comp_index_ID
       _Dist_constraint.Comp_ID
       _Dist_constraint.Atom_ID
       _Dist_constraint.Auth_asym_ID
       _Dist_constraint.Auth_seq_ID
       _Dist_constraint.Auth_comp_ID
       _Dist_constraint.Auth_atom_ID
       _Dist_constraint.Entry_ID
       _Dist_constraint.Distance_constraint_list_ID

         1 1 1 1 1  1 ARG H1   .  1 ARG H    1 1 
         1 1 2 1 1  1 ARG QB   .  1 ARG QB   1 1 
         2 1 1 1 1  1 ARG HA   .  1 ARG HA   1 1 
         2 1 2 1 1  1 ARG HE   .  1 ARG HE   1 1 
         3 1 1 1 1  1 ARG HA   .  1 ARG HA   1 1 
         3 1 2 1 1  2 LEU H    .  2 LEU H    1 1 
         4 1 1 1 1  1 ARG HE   .  1 ARG HE   1 1 
         4 1 2 1 1  1 ARG QG   .  1 ARG QG   1 1 
         5 1 1 1 1  2 LEU H    .  2 LEU H    1 1 
         5 1 2 1 1  2 LEU QB   .  2 LEU QB   1 1 
         6 1 1 1 1  2 LEU H    .  2 LEU H    1 1 
         6 1 2 1 1  2 LEU MD1  .  2 LEU QD1  1 1 
         7 1 1 1 1  2 LEU H    .  2 LEU H    1 1 
         7 1 2 1 1  2 LEU QD   .  2 LEU QQD  1 1 
         8 1 1 1 1  2 LEU H    .  2 LEU H    1 1 
         8 1 2 1 1  2 LEU MD2  .  2 LEU QD2  1 1 
         9 1 1 1 1  2 LEU H    .  2 LEU H    1 1 
         9 1 2 1 1  5 TRP HB2  .  5 TRP HB2  1 1 
        10 1 1 1 1  2 LEU HA   .  2 LEU HA   1 1 
        10 1 2 1 1  2 LEU MD1  .  2 LEU QD1  1 1 
        11 1 1 1 1  2 LEU HA   .  2 LEU HA   1 1 
        11 1 2 1 1  2 LEU QD   .  2 LEU QQD  1 1 
        12 1 1 1 1  2 LEU HA   .  2 LEU HA   1 1 
        12 1 2 1 1  2 LEU MD2  .  2 LEU QD2  1 1 
        13 1 1 1 1  2 LEU HA   .  2 LEU HA   1 1 
        13 1 2 1 1  5 TRP H    .  5 TRP H    1 1 
        14 1 1 1 1  2 LEU HA   .  2 LEU HA   1 1 
        14 1 2 1 1  5 TRP HB2  .  5 TRP HB2  1 1 
        15 1 1 1 1  2 LEU HA   .  2 LEU HA   1 1 
        15 1 2 1 1  5 TRP HB3  .  5 TRP HB3  1 1 
        16 1 1 1 1  2 LEU HA   .  2 LEU HA   1 1 
        16 1 2 1 1  5 TRP HE3  .  5 TRP HE3  1 1 
        17 1 1 1 1  2 LEU HA   .  2 LEU HA   1 1 
        17 1 2 1 1  6 ARG H    .  6 ARG H    1 1 
        18 1 1 1 1  2 LEU QB   .  2 LEU QB   1 1 
        18 1 2 1 1  2 LEU QD   .  2 LEU QQD  1 1 
        19 1 1 1 1  2 LEU QB   .  2 LEU QB   1 1 
        19 1 2 1 1  3 GLN H    .  3 GLN H    1 1 
        20 1 1 1 1  2 LEU QB   .  2 LEU QB   1 1 
        20 1 2 1 1  5 TRP HB3  .  5 TRP HB3  1 1 
        21 1 1 1 1  2 LEU HB2  .  2 LEU HB2  1 1 
        21 1 2 1 1  2 LEU MD1  .  2 LEU QD1  1 1 
        22 1 1 1 1  2 LEU HB2  .  2 LEU HB2  1 1 
        22 1 2 1 1  2 LEU MD2  .  2 LEU QD2  1 1 
        23 1 1 1 1  2 LEU HB2  .  2 LEU HB2  1 1 
        23 1 2 1 1  3 GLN H    .  3 GLN H    1 1 
        24 1 1 1 1  2 LEU HB3  .  2 LEU HB3  1 1 
        24 1 2 1 1  2 LEU MD1  .  2 LEU QD1  1 1 
        25 1 1 1 1  2 LEU HB3  .  2 LEU HB3  1 1 
        25 1 2 1 1  2 LEU MD2  .  2 LEU QD2  1 1 
        26 1 1 1 1  2 LEU HB3  .  2 LEU HB3  1 1 
        26 1 2 1 1  3 GLN H    .  3 GLN H    1 1 
        27 1 1 1 1  2 LEU QD   .  2 LEU QQD  1 1 
        27 1 2 1 1  3 GLN H    .  3 GLN H    1 1 
        28 1 1 1 1  2 LEU QD   .  2 LEU QQD  1 1 
        28 1 2 1 1  5 TRP H    .  5 TRP H    1 1 
        29 1 1 1 1  2 LEU QD   .  2 LEU QQD  1 1 
        29 1 2 1 1  6 ARG H    .  6 ARG H    1 1 
        30 1 1 1 1  2 LEU QD   .  2 LEU QQD  1 1 
        30 1 2 1 1  7 LYS H    .  7 LYS H    1 1 
        31 1 1 1 1  2 LEU MD1  .  2 LEU QD1  1 1 
        31 1 2 1 1  5 TRP HE3  .  5 TRP HE3  1 1 
        32 1 1 1 1  2 LEU MD2  .  2 LEU QD2  1 1 
        32 1 2 1 1  5 TRP HE3  .  5 TRP HE3  1 1 
        33 1 1 1 1  3 GLN H    .  3 GLN H    1 1 
        33 1 2 1 1  3 GLN HB2  .  3 GLN HB2  1 1 
        34 1 1 1 1  3 GLN H    .  3 GLN H    1 1 
        34 1 2 1 1  3 GLN QB   .  3 GLN QB   1 1 
        35 1 1 1 1  3 GLN H    .  3 GLN H    1 1 
        35 1 2 1 1  3 GLN HB3  .  3 GLN HB3  1 1 
        36 1 1 1 1  3 GLN H    .  3 GLN H    1 1 
        36 1 2 1 1  3 GLN QE   .  3 GLN QE2  1 1 
        37 1 1 1 1  3 GLN H    .  3 GLN H    1 1 
        37 1 2 1 1  3 GLN HG2  .  3 GLN HG2  1 1 
        38 1 1 1 1  3 GLN H    .  3 GLN H    1 1 
        38 1 2 1 1  3 GLN QG   .  3 GLN QG   1 1 
        39 1 1 1 1  3 GLN H    .  3 GLN H    1 1 
        39 1 2 1 1  3 GLN HG3  .  3 GLN HG3  1 1 
        40 1 1 1 1  3 GLN H    .  3 GLN H    1 1 
        40 1 2 1 1  5 TRP HB2  .  5 TRP HB2  1 1 
        41 1 1 1 1  3 GLN QB   .  3 GLN QB   1 1 
        41 1 2 1 1  4 GLN H    .  4 GLN H    1 1 
        42 1 1 1 1  3 GLN HB2  .  3 GLN HB2  1 1 
        42 1 2 1 1  4 GLN H    .  4 GLN H    1 1 
        43 1 1 1 1  3 GLN HB3  .  3 GLN HB3  1 1 
        43 1 2 1 1  4 GLN H    .  4 GLN H    1 1 
        44 1 1 1 1  3 GLN HG2  .  3 GLN HG2  1 1 
        44 1 2 1 1  4 GLN H    .  4 GLN H    1 1 
        45 1 1 1 1  3 GLN HG3  .  3 GLN HG3  1 1 
        45 1 2 1 1  4 GLN H    .  4 GLN H    1 1 
        46 1 1 1 1  4 GLN H    .  4 GLN H    1 1 
        46 1 2 1 1  4 GLN HB2  .  4 GLN HB2  1 1 
        47 1 1 1 1  4 GLN H    .  4 GLN H    1 1 
        47 1 2 1 1  4 GLN HE21 .  4 GLN HE21 1 1 
        48 1 1 1 1  4 GLN H    .  4 GLN H    1 1 
        48 1 2 1 1  4 GLN HG2  .  4 GLN HG2  1 1 
        49 1 1 1 1  4 GLN H    .  4 GLN H    1 1 
        49 1 2 1 1  4 GLN QG   .  4 GLN QG   1 1 
        50 1 1 1 1  4 GLN H    .  4 GLN H    1 1 
        50 1 2 1 1  4 GLN HG3  .  4 GLN HG3  1 1 
        51 1 1 1 1  4 GLN H    .  4 GLN H    1 1 
        51 1 2 1 1  5 TRP HB2  .  5 TRP HB2  1 1 
        52 1 1 1 1  4 GLN H    .  4 GLN H    1 1 
        52 1 2 1 1  7 LYS H    .  7 LYS H    1 1 
        53 1 1 1 1  4 GLN H    .  4 GLN H    1 1 
        53 1 2 1 1  8 ALA MB   .  8 ALA QB   1 1 
        54 1 1 1 1  4 GLN HA   .  4 GLN HA   1 1 
        54 1 2 1 1  4 GLN HE21 .  4 GLN HE21 1 1 
        55 1 1 1 1  4 GLN HA   .  4 GLN HA   1 1 
        55 1 2 1 1  5 TRP H    .  5 TRP H    1 1 
        56 1 1 1 1  4 GLN HA   .  4 GLN HA   1 1 
        56 1 2 1 1  5 TRP HB2  .  5 TRP HB2  1 1 
        57 1 1 1 1  4 GLN HA   .  4 GLN HA   1 1 
        57 1 2 1 1  7 LYS H    .  7 LYS H    1 1 
        58 1 1 1 1  4 GLN HA   .  4 GLN HA   1 1 
        58 1 2 1 1  8 ALA H    .  8 ALA H    1 1 
        59 1 1 1 1  4 GLN HB2  .  4 GLN HB2  1 1 
        59 1 2 1 1  5 TRP H    .  5 TRP H    1 1 
        60 1 1 1 1  4 GLN HB2  .  4 GLN HB2  1 1 
        60 1 2 1 1  8 ALA MB   .  8 ALA QB   1 1 
        61 1 1 1 1  4 GLN HB3  .  4 GLN HB3  1 1 
        61 1 2 1 1  5 TRP H    .  5 TRP H    1 1 
        62 1 1 1 1  4 GLN HB3  .  4 GLN HB3  1 1 
        62 1 2 1 1  5 TRP HA   .  5 TRP HA   1 1 
        63 1 1 1 1  4 GLN HB3  .  4 GLN HB3  1 1 
        63 1 2 1 1  5 TRP HB2  .  5 TRP HB2  1 1 
        64 1 1 1 1  4 GLN HB3  .  4 GLN HB3  1 1 
        64 1 2 1 1  8 ALA H    .  8 ALA H    1 1 
        65 1 1 1 1  4 GLN HB3  .  4 GLN HB3  1 1 
        65 1 2 1 1  8 ALA MB   .  8 ALA QB   1 1 
        66 1 1 1 1  4 GLN HE21 .  4 GLN HE21 1 1 
        66 1 2 1 1  8 ALA MB   .  8 ALA QB   1 1 
        67 1 1 1 1  4 GLN HG2  .  4 GLN HG2  1 1 
        67 1 2 1 1  5 TRP H    .  5 TRP H    1 1 
        68 1 1 1 1  4 GLN HG2  .  4 GLN HG2  1 1 
        68 1 2 1 1  5 TRP HA   .  5 TRP HA   1 1 
        69 1 1 1 1  4 GLN HG3  .  4 GLN HG3  1 1 
        69 1 2 1 1  5 TRP H    .  5 TRP H    1 1 
        70 1 1 1 1  4 GLN HG3  .  4 GLN HG3  1 1 
        70 1 2 1 1  5 TRP HA   .  5 TRP HA   1 1 
        71 1 1 1 1  5 TRP H    .  5 TRP H    1 1 
        71 1 2 1 1  5 TRP HB2  .  5 TRP HB2  1 1 
        72 1 1 1 1  5 TRP H    .  5 TRP H    1 1 
        72 1 2 1 1  5 TRP HB3  .  5 TRP HB3  1 1 
        73 1 1 1 1  5 TRP H    .  5 TRP H    1 1 
        73 1 2 1 1  5 TRP HE3  .  5 TRP HE3  1 1 
        74 1 1 1 1  5 TRP H    .  5 TRP H    1 1 
        74 1 2 1 1  7 LYS H    .  7 LYS H    1 1 
        75 1 1 1 1  5 TRP HA   .  5 TRP HA   1 1 
        75 1 2 1 1  5 TRP HD1  .  5 TRP HD1  1 1 
        76 1 1 1 1  5 TRP HA   .  5 TRP HA   1 1 
        76 1 2 1 1  5 TRP HE1  .  5 TRP HE1  1 1 
        77 1 1 1 1  5 TRP HA   .  5 TRP HA   1 1 
        77 1 2 1 1  5 TRP HE3  .  5 TRP HE3  1 1 
        78 1 1 1 1  5 TRP HA   .  5 TRP HA   1 1 
        78 1 2 1 1  6 ARG HA   .  6 ARG HA   1 1 
        79 1 1 1 1  5 TRP HA   .  5 TRP HA   1 1 
        79 1 2 1 1  7 LYS H    .  7 LYS H    1 1 
        80 1 1 1 1  5 TRP HA   .  5 TRP HA   1 1 
        80 1 2 1 1  8 ALA MB   .  8 ALA QB   1 1 
        81 1 1 1 1  5 TRP HB2  .  5 TRP HB2  1 1 
        81 1 2 1 1  5 TRP HD1  .  5 TRP HD1  1 1 
        82 1 1 1 1  5 TRP HB2  .  5 TRP HB2  1 1 
        82 1 2 1 1  5 TRP HE1  .  5 TRP HE1  1 1 
        83 1 1 1 1  5 TRP HB2  .  5 TRP HB2  1 1 
        83 1 2 1 1  8 ALA H    .  8 ALA H    1 1 
        84 1 1 1 1  5 TRP HB3  .  5 TRP HB3  1 1 
        84 1 2 1 1  5 TRP HE3  .  5 TRP HE3  1 1 
        85 1 1 1 1  5 TRP HB3  .  5 TRP HB3  1 1 
        85 1 2 1 1  5 TRP HZ3  .  5 TRP HZ3  1 1 
        86 1 1 1 1  5 TRP HB3  .  5 TRP HB3  1 1 
        86 1 2 1 1  6 ARG H    .  6 ARG H    1 1 
        87 1 1 1 1  5 TRP HB3  .  5 TRP HB3  1 1 
        87 1 2 1 1  6 ARG HA   .  6 ARG HA   1 1 
        88 1 1 1 1  5 TRP HB3  .  5 TRP HB3  1 1 
        88 1 2 1 1  6 ARG QB   .  6 ARG QB   1 1 
        89 1 1 1 1  5 TRP HB3  .  5 TRP HB3  1 1 
        89 1 2 1 1  6 ARG QG   .  6 ARG QG   1 1 
        90 1 1 1 1  5 TRP HB3  .  5 TRP HB3  1 1 
        90 1 2 1 1  7 LYS H    .  7 LYS H    1 1 
        91 1 1 1 1  5 TRP HB3  .  5 TRP HB3  1 1 
        91 1 2 1 1  8 ALA H    .  8 ALA H    1 1 
        92 1 1 1 1  5 TRP HE3  .  5 TRP HE3  1 1 
        92 1 2 1 1  6 ARG H    .  6 ARG H    1 1 
        93 1 1 1 1  5 TRP HE3  .  5 TRP HE3  1 1 
        93 1 2 1 1  6 ARG HA   .  6 ARG HA   1 1 
        94 1 1 1 1  5 TRP HE3  .  5 TRP HE3  1 1 
        94 1 2 1 1  6 ARG HB2  .  6 ARG HB2  1 1 
        95 1 1 1 1  5 TRP HE3  .  5 TRP HE3  1 1 
        95 1 2 1 1  6 ARG QB   .  6 ARG QB   1 1 
        96 1 1 1 1  5 TRP HE3  .  5 TRP HE3  1 1 
        96 1 2 1 1  6 ARG HB3  .  6 ARG HB3  1 1 
        97 1 1 1 1  5 TRP HE3  .  5 TRP HE3  1 1 
        97 1 2 1 1  6 ARG HG2  .  6 ARG HG2  1 1 
        98 1 1 1 1  5 TRP HE3  .  5 TRP HE3  1 1 
        98 1 2 1 1  6 ARG QG   .  6 ARG QG   1 1 
        99 1 1 1 1  5 TRP HE3  .  5 TRP HE3  1 1 
        99 1 2 1 1  6 ARG HG3  .  6 ARG HG3  1 1 
       100 1 1 1 1  5 TRP HE3  .  5 TRP HE3  1 1 
       100 1 2 1 1  9 ALA MB   .  9 ALA QB   1 1 
       101 1 1 1 1  6 ARG H    .  6 ARG H    1 1 
       101 1 2 1 1  6 ARG QB   .  6 ARG QB   1 1 
       102 1 1 1 1  6 ARG H    .  6 ARG H    1 1 
       102 1 2 1 1  6 ARG HE   .  6 ARG HE   1 1 
       103 1 1 1 1  6 ARG H    .  6 ARG H    1 1 
       103 1 2 1 1  6 ARG QG   .  6 ARG QG   1 1 
       104 1 1 1 1  6 ARG H    .  6 ARG H    1 1 
       104 1 2 1 1  7 LYS H    .  7 LYS H    1 1 
       105 1 1 1 1  6 ARG H    .  6 ARG H    1 1 
       105 1 2 1 1  7 LYS HA   .  7 LYS HA   1 1 
       106 1 1 1 1  6 ARG H    .  6 ARG H    1 1 
       106 1 2 1 1  9 ALA MB   .  9 ALA QB   1 1 
       107 1 1 1 1  6 ARG HA   .  6 ARG HA   1 1 
       107 1 2 1 1  6 ARG HD2  .  6 ARG HD2  1 1 
       108 1 1 1 1  6 ARG HA   .  6 ARG HA   1 1 
       108 1 2 1 1  6 ARG QD   .  6 ARG QD   1 1 
       109 1 1 1 1  6 ARG HA   .  6 ARG HA   1 1 
       109 1 2 1 1  6 ARG HD3  .  6 ARG HD3  1 1 
       110 1 1 1 1  6 ARG HA   .  6 ARG HA   1 1 
       110 1 2 1 1  6 ARG HG2  .  6 ARG HG2  1 1 
       111 1 1 1 1  6 ARG HA   .  6 ARG HA   1 1 
       111 1 2 1 1  6 ARG HG3  .  6 ARG HG3  1 1 
       112 1 1 1 1  6 ARG HA   .  6 ARG HA   1 1 
       112 1 2 1 1  7 LYS HA   .  7 LYS HA   1 1 
       113 1 1 1 1  6 ARG HA   .  6 ARG HA   1 1 
       113 1 2 1 1  8 ALA H    .  8 ALA H    1 1 
       114 1 1 1 1  6 ARG HA   .  6 ARG HA   1 1 
       114 1 2 1 1  9 ALA H    .  9 ALA H    1 1 
       115 1 1 1 1  6 ARG HA   .  6 ARG HA   1 1 
       115 1 2 1 1  9 ALA MB   .  9 ALA HB2  1 1 
       116 1 1 1 1  6 ARG HA   .  6 ARG HA   1 1 
       116 1 2 1 1 10 LEU H    . 10 LEU H    1 1 
       117 1 1 1 1  6 ARG QB   .  6 ARG QB   1 1 
       117 1 2 1 1  6 ARG QD   .  6 ARG QD   1 1 
       118 1 1 1 1  6 ARG QB   .  6 ARG QB   1 1 
       118 1 2 1 1  7 LYS H    .  7 LYS H    1 1 
       119 1 1 1 1  6 ARG HB2  .  6 ARG HB2  1 1 
       119 1 2 1 1  7 LYS H    .  7 LYS H    1 1 
       120 1 1 1 1  6 ARG HB3  .  6 ARG HB3  1 1 
       120 1 2 1 1  7 LYS H    .  7 LYS H    1 1 
       121 1 1 1 1  6 ARG HD2  .  6 ARG HD2  1 1 
       121 1 2 1 1  7 LYS H    .  7 LYS H    1 1 
       122 1 1 1 1  6 ARG HD3  .  6 ARG HD3  1 1 
       122 1 2 1 1  7 LYS H    .  7 LYS H    1 1 
       123 1 1 1 1  7 LYS H    .  7 LYS H    1 1 
       123 1 2 1 1  7 LYS HB2  .  7 LYS HB2  1 1 
       124 1 1 1 1  7 LYS H    .  7 LYS H    1 1 
       124 1 2 1 1  7 LYS QB   .  7 LYS QB   1 1 
       125 1 1 1 1  7 LYS H    .  7 LYS H    1 1 
       125 1 2 1 1  7 LYS HB3  .  7 LYS HB3  1 1 
       126 1 1 1 1  7 LYS H    .  7 LYS H    1 1 
       126 1 2 1 1  8 ALA H    .  8 ALA H    1 1 
       127 1 1 1 1  7 LYS H    .  7 LYS H    1 1 
       127 1 2 1 1  8 ALA MB   .  8 ALA QB   1 1 
       128 1 1 1 1  7 LYS H    .  7 LYS H    1 1 
       128 1 2 1 1 10 LEU MD2  . 10 LEU QD2  1 1 
       129 1 1 1 1  7 LYS H    .  7 LYS H    1 1 
       129 1 2 1 1 11 VAL QG   . 11 VAL QQG  1 1 
       130 1 1 1 1  7 LYS HA   .  7 LYS HA   1 1 
       130 1 2 1 1  7 LYS HE2  .  7 LYS HE2  1 1 
       131 1 1 1 1  7 LYS HA   .  7 LYS HA   1 1 
       131 1 2 1 1  7 LYS HE3  .  7 LYS HE3  1 1 
       132 1 1 1 1  7 LYS HA   .  7 LYS HA   1 1 
       132 1 2 1 1 10 LEU H    . 10 LEU H    1 1 
       133 1 1 1 1  7 LYS HA   .  7 LYS HA   1 1 
       133 1 2 1 1 10 LEU QB   . 10 LEU QB   1 1 
       134 1 1 1 1  7 LYS HA   .  7 LYS HA   1 1 
       134 1 2 1 1 10 LEU MD2  . 10 LEU QD2  1 1 
       135 1 1 1 1  7 LYS HA   .  7 LYS HA   1 1 
       135 1 2 1 1 11 VAL H    . 11 VAL H    1 1 
       136 1 1 1 1  7 LYS HA   .  7 LYS HA   1 1 
       136 1 2 1 1 11 VAL QG   . 11 VAL QQG  1 1 
       137 1 1 1 1  7 LYS QB   .  7 LYS QB   1 1 
       137 1 2 1 1  7 LYS QE   .  7 LYS QE   1 1 
       138 1 1 1 1  7 LYS QD   .  7 LYS QD   1 1 
       138 1 2 1 1 11 VAL QG   . 11 VAL QQG  1 1 
       139 1 1 1 1  7 LYS HD2  .  7 LYS HD2  1 1 
       139 1 2 1 1 11 VAL MG1  . 11 VAL QG1  1 1 
       140 1 1 1 1  7 LYS HD2  .  7 LYS HD2  1 1 
       140 1 2 1 1 11 VAL MG2  . 11 VAL QG2  1 1 
       141 1 1 1 1  7 LYS HD3  .  7 LYS HD3  1 1 
       141 1 2 1 1 11 VAL MG1  . 11 VAL QG1  1 1 
       142 1 1 1 1  7 LYS HD3  .  7 LYS HD3  1 1 
       142 1 2 1 1 11 VAL MG2  . 11 VAL QG2  1 1 
       143 1 1 1 1  7 LYS QG   .  7 LYS QG   1 1 
       143 1 2 1 1 11 VAL QG   . 11 VAL QQG  1 1 
       144 1 1 1 1  7 LYS HG2  .  7 LYS HG2  1 1 
       144 1 2 1 1 11 VAL MG1  . 11 VAL QG1  1 1 
       145 1 1 1 1  7 LYS HG2  .  7 LYS HG2  1 1 
       145 1 2 1 1 11 VAL MG2  . 11 VAL QG2  1 1 
       146 1 1 1 1  7 LYS HG3  .  7 LYS HG3  1 1 
       146 1 2 1 1 11 VAL MG1  . 11 VAL QG1  1 1 
       147 1 1 1 1  7 LYS HG3  .  7 LYS HG3  1 1 
       147 1 2 1 1 11 VAL MG2  . 11 VAL QG2  1 1 
       148 1 1 1 1  8 ALA H    .  8 ALA H    1 1 
       148 1 2 1 1  8 ALA MB   .  8 ALA QB   1 1 
       149 1 1 1 1  8 ALA MB   .  8 ALA QB   1 1 
       149 1 2 1 1  9 ALA H    .  9 ALA H    1 1 
       150 1 1 1 1  8 ALA MB   .  8 ALA QB   1 1 
       150 1 2 1 1 12 LEU H    . 12 LEU H    1 1 
       151 1 1 1 1  9 ALA H    .  9 ALA H    1 1 
       151 1 2 1 1  9 ALA MB   .  9 ALA QB   1 1 
       152 1 1 1 1  9 ALA H    .  9 ALA H    1 1 
       152 1 2 1 1 10 LEU H    . 10 LEU H    1 1 
       153 1 1 1 1  9 ALA HA   .  9 ALA HA   1 1 
       153 1 2 1 1 12 LEU H    . 12 LEU H    1 1 
       154 1 1 1 1  9 ALA HA   .  9 ALA HA   1 1 
       154 1 2 1 1 13 ASN H    . 13 ASN H    1 1 
       155 1 1 1 1  9 ALA HA   .  9 ALA HA   1 1 
       155 1 2 1 1 13 ASN HD21 . 13 ASN HD21 1 1 
       156 1 1 1 1  9 ALA MB   .  9 ALA QB   1 1 
       156 1 2 1 1 10 LEU H    . 10 LEU H    1 1 
       157 1 1 1 1  9 ALA MB   .  9 ALA QB   1 1 
       157 1 2 1 1 10 LEU HA   . 10 LEU HA   1 1 
       158 1 1 1 1  9 ALA MB   .  9 ALA QB   1 1 
       158 1 2 1 1 11 VAL H    . 11 VAL H    1 1 
       159 1 1 1 1  9 ALA MB   .  9 ALA QB   1 1 
       159 1 2 1 1 12 LEU H    . 12 LEU H    1 1 
       160 1 1 1 1  9 ALA MB   .  9 ALA QB   1 1 
       160 1 2 1 1 12 LEU HB2  . 12 LEU HB2  1 1 
       161 1 1 1 1  9 ALA MB   .  9 ALA QB   1 1 
       161 1 2 1 1 12 LEU QB   . 12 LEU QB   1 1 
       162 1 1 1 1  9 ALA MB   .  9 ALA QB   1 1 
       162 1 2 1 1 12 LEU HB3  . 12 LEU HB3  1 1 
       163 1 1 1 1  9 ALA MB   .  9 ALA QB   1 1 
       163 1 2 1 1 13 ASN H    . 13 ASN H    1 1 
       164 1 1 1 1  9 ALA MB   .  9 ALA QB   1 1 
       164 1 2 1 1 13 ASN HD21 . 13 ASN HD21 1 1 
       165 1 1 1 1  9 ALA MB   .  9 ALA QB   1 1 
       165 1 2 1 1 13 ASN HD22 . 13 ASN HD22 1 1 
       166 1 1 1 1 10 LEU H    . 10 LEU H    1 1 
       166 1 2 1 1 10 LEU HB2  . 10 LEU HB2  1 1 
       167 1 1 1 1 10 LEU H    . 10 LEU H    1 1 
       167 1 2 1 1 10 LEU QB   . 10 LEU QB   1 1 
       168 1 1 1 1 10 LEU H    . 10 LEU H    1 1 
       168 1 2 1 1 10 LEU HB3  . 10 LEU HB3  1 1 
       169 1 1 1 1 10 LEU H    . 10 LEU H    1 1 
       169 1 2 1 1 10 LEU MD1  . 10 LEU QD1  1 1 
       170 1 1 1 1 10 LEU H    . 10 LEU H    1 1 
       170 1 2 1 1 10 LEU MD2  . 10 LEU QD2  1 1 
       171 1 1 1 1 10 LEU H    . 10 LEU H    1 1 
       171 1 2 1 1 11 VAL H    . 11 VAL H    1 1 
       172 1 1 1 1 10 LEU H    . 10 LEU H    1 1 
       172 1 2 1 1 11 VAL HA   . 11 VAL HA   1 1 
       173 1 1 1 1 10 LEU H    . 10 LEU H    1 1 
       173 1 2 1 1 11 VAL HB   . 11 VAL HB   1 1 
       174 1 1 1 1 10 LEU H    . 10 LEU H    1 1 
       174 1 2 1 1 11 VAL QG   . 11 VAL QQG  1 1 
       175 1 1 1 1 10 LEU H    . 10 LEU H    1 1 
       175 1 2 1 1 12 LEU H    . 12 LEU H    1 1 
       176 1 1 1 1 10 LEU HA   . 10 LEU HA   1 1 
       176 1 2 1 1 10 LEU MD1  . 10 LEU QD1  1 1 
       177 1 1 1 1 10 LEU HA   . 10 LEU HA   1 1 
       177 1 2 1 1 11 VAL HA   . 11 VAL HA   1 1 
       178 1 1 1 1 10 LEU HA   . 10 LEU HA   1 1 
       178 1 2 1 1 11 VAL QG   . 11 VAL QQG  1 1 
       179 1 1 1 1 10 LEU HA   . 10 LEU HA   1 1 
       179 1 2 1 1 13 ASN H    . 13 ASN H    1 1 
       180 1 1 1 1 10 LEU HA   . 10 LEU HA   1 1 
       180 1 2 1 1 13 ASN HB2  . 13 ASN HB2  1 1 
       181 1 1 1 1 10 LEU HA   . 10 LEU HA   1 1 
       181 1 2 1 1 13 ASN QB   . 13 ASN QB   1 1 
       182 1 1 1 1 10 LEU HA   . 10 LEU HA   1 1 
       182 1 2 1 1 13 ASN HB3  . 13 ASN HB3  1 1 
       183 1 1 1 1 10 LEU HA   . 10 LEU HA   1 1 
       183 1 2 1 1 13 ASN HD21 . 13 ASN HD21 1 1 
       184 1 1 1 1 10 LEU QB   . 10 LEU QB   1 1 
       184 1 2 1 1 11 VAL H    . 11 VAL H    1 1 
       185 1 1 1 1 10 LEU QB   . 10 LEU QB   1 1 
       185 1 2 1 1 11 VAL HA   . 11 VAL HA   1 1 
       186 1 1 1 1 10 LEU QB   . 10 LEU QB   1 1 
       186 1 2 1 1 11 VAL QG   . 11 VAL QQG  1 1 
       187 1 1 1 1 10 LEU HB2  . 10 LEU HB2  1 1 
       187 1 2 1 1 11 VAL MG1  . 11 VAL QG1  1 1 
       188 1 1 1 1 10 LEU HB2  . 10 LEU HB2  1 1 
       188 1 2 1 1 11 VAL MG2  . 11 VAL QG2  1 1 
       189 1 1 1 1 10 LEU HB3  . 10 LEU HB3  1 1 
       189 1 2 1 1 11 VAL MG1  . 11 VAL QG1  1 1 
       190 1 1 1 1 10 LEU HB3  . 10 LEU HB3  1 1 
       190 1 2 1 1 11 VAL MG2  . 11 VAL QG2  1 1 
       191 1 1 1 1 10 LEU MD1  . 10 LEU QD1  1 1 
       191 1 2 1 1 13 ASN HD21 . 13 ASN HD21 1 1 
       192 1 1 1 1 10 LEU MD1  . 10 LEU QD1  1 1 
       192 1 2 1 1 14 ALA H    . 14 ALA H    1 1 
       193 1 1 1 1 10 LEU MD1  . 10 LEU QD1  1 1 
       193 1 2 1 1 14 ALA MB   . 14 ALA QB   1 1 
       194 1 1 1 1 10 LEU HG   . 10 LEU HG   1 1 
       194 1 2 1 1 11 VAL HA   . 11 VAL HA   1 1 
       195 1 1 1 1 10 LEU HG   . 10 LEU HG   1 1 
       195 1 2 1 1 11 VAL QG   . 11 VAL QQG  1 1 
       196 1 1 1 1 10 LEU HG   . 10 LEU HG   1 1 
       196 1 2 1 1 14 ALA H    . 14 ALA H    1 1 
       197 1 1 1 1 11 VAL H    . 11 VAL H    1 1 
       197 1 2 1 1 11 VAL HB   . 11 VAL HB   1 1 
       198 1 1 1 1 11 VAL H    . 11 VAL H    1 1 
       198 1 2 1 1 12 LEU H    . 12 LEU H    1 1 
       199 1 1 1 1 11 VAL HA   . 11 VAL HA   1 1 
       199 1 2 1 1 11 VAL MG1  . 11 VAL QG1  1 1 
       200 1 1 1 1 11 VAL HA   . 11 VAL HA   1 1 
       200 1 2 1 1 11 VAL QG   . 11 VAL QQG  1 1 
       201 1 1 1 1 11 VAL HA   . 11 VAL HA   1 1 
       201 1 2 1 1 11 VAL MG2  . 11 VAL QG2  1 1 
       202 1 1 1 1 11 VAL HA   . 11 VAL HA   1 1 
       202 1 2 1 1 12 LEU HA   . 12 LEU HA   1 1 
       203 1 1 1 1 11 VAL HA   . 11 VAL HA   1 1 
       203 1 2 1 1 12 LEU QB   . 12 LEU QB   1 1 
       204 1 1 1 1 11 VAL HA   . 11 VAL HA   1 1 
       204 1 2 1 1 14 ALA H    . 14 ALA H    1 1 
       205 1 1 1 1 11 VAL HA   . 11 VAL HA   1 1 
       205 1 2 1 1 14 ALA MB   . 14 ALA HB2  1 1 
       206 1 1 1 1 11 VAL HA   . 11 VAL HA   1 1 
       206 1 2 1 1 15 SER H    . 15 SER H    1 1 
       207 1 1 1 1 11 VAL HA   . 11 VAL HA   1 1 
       207 1 2 1 1 15 SER QB   . 15 SER QB   1 1 
       208 1 1 1 1 11 VAL HB   . 11 VAL HB   1 1 
       208 1 2 1 1 12 LEU H    . 12 LEU H    1 1 
       209 1 1 1 1 11 VAL QG   . 11 VAL QQG  1 1 
       209 1 2 1 1 12 LEU H    . 12 LEU H    1 1 
       210 1 1 1 1 11 VAL QG   . 11 VAL QQG  1 1 
       210 1 2 1 1 12 LEU QB   . 12 LEU QB   1 1 
       211 1 1 1 1 11 VAL QG   . 11 VAL QQG  1 1 
       211 1 2 1 1 14 ALA H    . 14 ALA H    1 1 
       212 1 1 1 1 11 VAL QG   . 11 VAL QQG  1 1 
       212 1 2 1 1 15 SER H    . 15 SER H    1 1 
       213 1 1 1 1 11 VAL QG   . 11 VAL QQG  1 1 
       213 1 2 1 1 15 SER QB   . 15 SER QB   1 1 
       214 1 1 1 1 11 VAL MG1  . 11 VAL QG1  1 1 
       214 1 2 1 1 12 LEU H    . 12 LEU H    1 1 
       215 1 1 1 1 11 VAL MG1  . 11 VAL QG1  1 1 
       215 1 2 1 1 14 ALA H    . 14 ALA H    1 1 
       216 1 1 1 1 11 VAL MG1  . 11 VAL QG1  1 1 
       216 1 2 1 1 15 SER H    . 15 SER H    1 1 
       217 1 1 1 1 11 VAL MG2  . 11 VAL QG2  1 1 
       217 1 2 1 1 12 LEU H    . 12 LEU H    1 1 
       218 1 1 1 1 11 VAL MG2  . 11 VAL QG2  1 1 
       218 1 2 1 1 14 ALA H    . 14 ALA H    1 1 
       219 1 1 1 1 11 VAL MG2  . 11 VAL QG2  1 1 
       219 1 2 1 1 15 SER H    . 15 SER H    1 1 
       220 1 1 1 1 12 LEU H    . 12 LEU H    1 1 
       220 1 2 1 1 12 LEU QB   . 12 LEU QB   1 1 
       221 1 1 1 1 12 LEU H    . 12 LEU H    1 1 
       221 1 2 1 1 12 LEU QD   . 12 LEU QQD  1 1 
       222 1 1 1 1 12 LEU H    . 12 LEU H    1 1 
       222 1 2 1 1 12 LEU HG   . 12 LEU HG   1 1 
       223 1 1 1 1 12 LEU H    . 12 LEU H    1 1 
       223 1 2 1 1 13 ASN H    . 13 ASN H    1 1 
       224 1 1 1 1 12 LEU H    . 12 LEU H    1 1 
       224 1 2 1 1 13 ASN HA   . 13 ASN HA   1 1 
       225 1 1 1 1 12 LEU H    . 12 LEU H    1 1 
       225 1 2 1 1 13 ASN HB2  . 13 ASN HB2  1 1 
       226 1 1 1 1 12 LEU H    . 12 LEU H    1 1 
       226 1 2 1 1 13 ASN QB   . 13 ASN QB   1 1 
       227 1 1 1 1 12 LEU H    . 12 LEU H    1 1 
       227 1 2 1 1 13 ASN HB3  . 13 ASN HB3  1 1 
       228 1 1 1 1 12 LEU H    . 12 LEU H    1 1 
       228 1 2 1 1 15 SER H    . 15 SER H    1 1 
       229 1 1 1 1 12 LEU HA   . 12 LEU HA   1 1 
       229 1 2 1 1 12 LEU QD   . 12 LEU QQD  1 1 
       230 1 1 1 1 12 LEU QB   . 12 LEU QB   1 1 
       230 1 2 1 1 12 LEU QD   . 12 LEU QQD  1 1 
       231 1 1 1 1 12 LEU HB2  . 12 LEU HB2  1 1 
       231 1 2 1 1 12 LEU MD1  . 12 LEU QD1  1 1 
       232 1 1 1 1 12 LEU HB2  . 12 LEU HB2  1 1 
       232 1 2 1 1 12 LEU MD2  . 12 LEU QD2  1 1 
       233 1 1 1 1 12 LEU HB3  . 12 LEU HB3  1 1 
       233 1 2 1 1 12 LEU MD1  . 12 LEU QD1  1 1 
       234 1 1 1 1 12 LEU HB3  . 12 LEU HB3  1 1 
       234 1 2 1 1 12 LEU MD2  . 12 LEU QD2  1 1 
       235 1 1 1 1 13 ASN H    . 13 ASN H    1 1 
       235 1 2 1 1 13 ASN HB2  . 13 ASN HB2  1 1 
       236 1 1 1 1 13 ASN H    . 13 ASN H    1 1 
       236 1 2 1 1 13 ASN QB   . 13 ASN QB   1 1 
       237 1 1 1 1 13 ASN H    . 13 ASN H    1 1 
       237 1 2 1 1 13 ASN HB3  . 13 ASN HB3  1 1 
       238 1 1 1 1 13 ASN H    . 13 ASN H    1 1 
       238 1 2 1 1 13 ASN HD21 . 13 ASN HD21 1 1 
       239 1 1 1 1 13 ASN H    . 13 ASN H    1 1 
       239 1 2 1 1 13 ASN HD22 . 13 ASN HD22 1 1 
       240 1 1 1 1 13 ASN H    . 13 ASN H    1 1 
       240 1 2 1 1 14 ALA H    . 14 ALA H    1 1 
       241 1 1 1 1 13 ASN H    . 13 ASN H    1 1 
       241 1 2 1 1 15 SER H    . 15 SER H    1 1 
       242 1 1 1 1 13 ASN HA   . 13 ASN HA   1 1 
       242 1 2 1 1 15 SER H    . 15 SER H    1 1 
       243 1 1 1 1 13 ASN HA   . 13 ASN HA   1 1 
       243 1 2 1 1 16 ARG H    . 16 ARG H    1 1 
       244 1 1 1 1 13 ASN HA   . 13 ASN HA   1 1 
       244 1 2 1 1 16 ARG QB   . 16 ARG QB   1 1 
       245 1 1 1 1 13 ASN HA   . 13 ASN HA   1 1 
       245 1 2 1 1 16 ARG HG2  . 16 ARG HG2  1 1 
       246 1 1 1 1 13 ASN HA   . 13 ASN HA   1 1 
       246 1 2 1 1 16 ARG QG   . 16 ARG QG   1 1 
       247 1 1 1 1 13 ASN HA   . 13 ASN HA   1 1 
       247 1 2 1 1 16 ARG HG3  . 16 ARG HG3  1 1 
       248 1 1 1 1 13 ASN QB   . 13 ASN QB   1 1 
       248 1 2 1 1 14 ALA H    . 14 ALA H    1 1 
       249 1 1 1 1 13 ASN QB   . 13 ASN QB   1 1 
       249 1 2 1 1 14 ALA MB   . 14 ALA QB   1 1 
       250 1 1 1 1 13 ASN QB   . 13 ASN QB   1 1 
       250 1 2 1 1 16 ARG QB   . 16 ARG QB   1 1 
       251 1 1 1 1 13 ASN HB2  . 13 ASN HB2  1 1 
       251 1 2 1 1 14 ALA H    . 14 ALA H    1 1 
       252 1 1 1 1 13 ASN HB2  . 13 ASN HB2  1 1 
       252 1 2 1 1 15 SER H    . 15 SER H    1 1 
       253 1 1 1 1 13 ASN HB3  . 13 ASN HB3  1 1 
       253 1 2 1 1 14 ALA H    . 14 ALA H    1 1 
       254 1 1 1 1 13 ASN HB3  . 13 ASN HB3  1 1 
       254 1 2 1 1 15 SER H    . 15 SER H    1 1 
       255 1 1 1 1 13 ASN HD21 . 13 ASN HD21 1 1 
       255 1 2 1 1 14 ALA H    . 14 ALA H    1 1 
       256 1 1 1 1 14 ALA H    . 14 ALA H    1 1 
       256 1 2 1 1 14 ALA MB   . 14 ALA QB   1 1 
       257 1 1 1 1 14 ALA H    . 14 ALA H    1 1 
       257 1 2 1 1 15 SER H    . 15 SER H    1 1 
       258 1 1 1 1 14 ALA H    . 14 ALA H    1 1 
       258 1 2 1 1 15 SER HA   . 15 SER HA   1 1 
       259 1 1 1 1 14 ALA H    . 14 ALA H    1 1 
       259 1 2 1 1 16 ARG H    . 16 ARG H    1 1 
       260 1 1 1 1 14 ALA MB   . 14 ALA QB   1 1 
       260 1 2 1 1 15 SER H    . 15 SER H    1 1 
       261 1 1 1 1 15 SER H    . 15 SER H    1 1 
       261 1 2 1 1 15 SER HB2  . 15 SER HB2  1 1 
       262 1 1 1 1 15 SER H    . 15 SER H    1 1 
       262 1 2 1 1 15 SER QB   . 15 SER QB   1 1 
       263 1 1 1 1 15 SER H    . 15 SER H    1 1 
       263 1 2 1 1 15 SER HB3  . 15 SER HB3  1 1 
       264 1 1 1 1 15 SER H    . 15 SER H    1 1 
       264 1 2 1 1 16 ARG H    . 16 ARG H    1 1 
       265 1 1 1 1 15 SER H    . 15 SER H    1 1 
       265 1 2 1 1 16 ARG QB   . 16 ARG QB   1 1 
       266 1 1 1 1 15 SER H    . 15 SER H    1 1 
       266 1 2 1 1 16 ARG QG   . 16 ARG QG   1 1 
       267 1 1 1 1 15 SER H    . 15 SER H    1 1 
       267 1 2 1 1 18 PHE HB2  . 18 PHE HB2  1 1 
       268 1 1 1 1 15 SER HA   . 15 SER HA   1 1 
       268 1 2 1 1 18 PHE H    . 18 PHE H    1 1 
       269 1 1 1 1 15 SER HA   . 15 SER HA   1 1 
       269 1 2 1 1 18 PHE HB2  . 18 PHE HB2  1 1 
       270 1 1 1 1 15 SER HA   . 15 SER HA   1 1 
       270 1 2 1 1 18 PHE QD   . 18 PHE QD   1 1 
       271 1 1 1 1 15 SER HA   . 15 SER HA   1 1 
       271 1 2 1 1 18 PHE QE   . 18 PHE QE   1 1 
       272 1 1 1 1 16 ARG H    . 16 ARG H    1 1 
       272 1 2 1 1 16 ARG QB   . 16 ARG QB   1 1 
       273 1 1 1 1 16 ARG HA   . 16 ARG HA   1 1 
       273 1 2 1 1 16 ARG HD2  . 16 ARG HD2  1 1 
       274 1 1 1 1 16 ARG HA   . 16 ARG HA   1 1 
       274 1 2 1 1 16 ARG QD   . 16 ARG QD   1 1 
       275 1 1 1 1 16 ARG HA   . 16 ARG HA   1 1 
       275 1 2 1 1 16 ARG HD3  . 16 ARG HD3  1 1 
       276 1 1 1 1 16 ARG HA   . 16 ARG HA   1 1 
       276 1 2 1 1 16 ARG HE   . 16 ARG HE   1 1 
       277 1 1 1 1 16 ARG QB   . 16 ARG QB   1 1 
       277 1 2 1 1 16 ARG QD   . 16 ARG QD   1 1 
       278 1 1 1 1 16 ARG QD   . 16 ARG QD   1 1 
       278 1 2 1 1 17 ARG H    . 17 ARG H    1 1 
       279 1 1 1 1 17 ARG H    . 17 ARG H    1 1 
       279 1 2 1 1 17 ARG HB3  . 17 ARG HB3  1 1 
       280 1 1 1 1 17 ARG H    . 17 ARG H    1 1 
       280 1 2 1 1 17 ARG HD2  . 17 ARG HD2  1 1 
       281 1 1 1 1 17 ARG H    . 17 ARG H    1 1 
       281 1 2 1 1 17 ARG HD3  . 17 ARG HD3  1 1 
       282 1 1 1 1 17 ARG H    . 17 ARG H    1 1 
       282 1 2 1 1 17 ARG HE   . 17 ARG HE   1 1 
       283 1 1 1 1 17 ARG H    . 17 ARG H    1 1 
       283 1 2 1 1 17 ARG HG2  . 17 ARG HG2  1 1 
       284 1 1 1 1 17 ARG H    . 17 ARG H    1 1 
       284 1 2 1 1 17 ARG QG   . 17 ARG QG   1 1 
       285 1 1 1 1 17 ARG H    . 17 ARG H    1 1 
       285 1 2 1 1 17 ARG HG3  . 17 ARG HG3  1 1 
       286 1 1 1 1 17 ARG H    . 17 ARG H    1 1 
       286 1 2 1 1 18 PHE H    . 18 PHE H    1 1 
       287 1 1 1 1 17 ARG H    . 17 ARG H    1 1 
       287 1 2 1 1 18 PHE HB2  . 18 PHE HB2  1 1 
       288 1 1 1 1 17 ARG H    . 17 ARG H    1 1 
       288 1 2 1 1 18 PHE QD   . 18 PHE QD   1 1 
       289 1 1 1 1 17 ARG HA   . 17 ARG HA   1 1 
       289 1 2 1 1 20 TYR H    . 20 TYR H    1 1 
       290 1 1 1 1 17 ARG HA   . 17 ARG HA   1 1 
       290 1 2 1 1 20 TYR QD   . 20 TYR QD   1 1 
       291 1 1 1 1 17 ARG QG   . 17 ARG QG   1 1 
       291 1 2 1 1 18 PHE HA   . 18 PHE HA   1 1 
       292 1 1 1 1 17 ARG HG2  . 17 ARG HG2  1 1 
       292 1 2 1 1 18 PHE H    . 18 PHE H    1 1 
       293 1 1 1 1 17 ARG HG3  . 17 ARG HG3  1 1 
       293 1 2 1 1 18 PHE H    . 18 PHE H    1 1 
       294 1 1 1 1 18 PHE H    . 18 PHE H    1 1 
       294 1 2 1 1 18 PHE HB2  . 18 PHE HB2  1 1 
       295 1 1 1 1 18 PHE H    . 18 PHE H    1 1 
       295 1 2 1 1 18 PHE QD   . 18 PHE QD   1 1 
       296 1 1 1 1 18 PHE H    . 18 PHE H    1 1 
       296 1 2 1 1 19 ARG H    . 19 ARG H    1 1 
       297 1 1 1 1 18 PHE H    . 18 PHE H    1 1 
       297 1 2 1 1 19 ARG HA   . 19 ARG HA   1 1 
       298 1 1 1 1 18 PHE H    . 18 PHE H    1 1 
       298 1 2 1 1 21 THR MG   . 21 THR QG2  1 1 
       299 1 1 1 1 18 PHE HA   . 18 PHE HA   1 1 
       299 1 2 1 1 18 PHE QD   . 18 PHE QD   1 1 
       300 1 1 1 1 18 PHE HA   . 18 PHE HA   1 1 
       300 1 2 1 1 18 PHE QE   . 18 PHE QE   1 1 
       301 1 1 1 1 18 PHE HA   . 18 PHE HA   1 1 
       301 1 2 1 1 19 ARG HA   . 19 ARG HA   1 1 
       302 1 1 1 1 18 PHE HA   . 18 PHE HA   1 1 
       302 1 2 1 1 21 THR H    . 21 THR H    1 1 
       303 1 1 1 1 18 PHE HA   . 18 PHE HA   1 1 
       303 1 2 1 1 21 THR HB   . 21 THR HB   1 1 
       304 1 1 1 1 18 PHE HA   . 18 PHE HA   1 1 
       304 1 2 1 1 21 THR MG   . 21 THR QG2  1 1 
       305 1 1 1 1 18 PHE HB3  . 18 PHE HB3  1 1 
       305 1 2 1 1 19 ARG H    . 19 ARG H    1 1 
       306 1 1 1 1 18 PHE HB3  . 18 PHE HB3  1 1 
       306 1 2 1 1 19 ARG HA   . 19 ARG HA   1 1 
       307 1 1 1 1 18 PHE QD   . 18 PHE QD   1 1 
       307 1 2 1 1 19 ARG H    . 19 ARG H    1 1 
       308 1 1 1 1 18 PHE QD   . 18 PHE QD   1 1 
       308 1 2 1 1 19 ARG HA   . 19 ARG HA   1 1 
       309 1 1 1 1 18 PHE QD   . 18 PHE QD   1 1 
       309 1 2 1 1 22 LEU H    . 22 LEU H    1 1 
       310 1 1 1 1 18 PHE QD   . 18 PHE QD   1 1 
       310 1 2 1 1 22 LEU HA   . 22 LEU HA   1 1 
       311 1 1 1 1 18 PHE QD   . 18 PHE QD   1 1 
       311 1 2 1 1 22 LEU QB   . 22 LEU QB   1 1 
       312 1 1 1 1 18 PHE QD   . 18 PHE QD   1 1 
       312 1 2 1 1 22 LEU QD   . 22 LEU QQD  1 1 
       313 1 1 1 1 18 PHE QD   . 18 PHE QD   1 1 
       313 1 2 1 1 22 LEU HG   . 22 LEU HG   1 1 
       314 1 1 1 1 18 PHE QE   . 18 PHE QE   1 1 
       314 1 2 1 1 22 LEU HA   . 22 LEU HA   1 1 
       315 1 1 1 1 18 PHE QE   . 18 PHE QE   1 1 
       315 1 2 1 1 22 LEU MD1  . 22 LEU QD1  1 1 
       316 1 1 1 1 18 PHE QE   . 18 PHE QE   1 1 
       316 1 2 1 1 22 LEU QD   . 22 LEU QQD  1 1 
       317 1 1 1 1 18 PHE QE   . 18 PHE QE   1 1 
       317 1 2 1 1 22 LEU MD2  . 22 LEU QD2  1 1 
       318 1 1 1 1 18 PHE QE   . 18 PHE QE   1 1 
       318 1 2 1 1 22 LEU HG   . 22 LEU HG   1 1 
       319 1 1 1 1 19 ARG H    . 19 ARG H    1 1 
       319 1 2 1 1 19 ARG QB   . 19 ARG QB   1 1 
       320 1 1 1 1 19 ARG H    . 19 ARG H    1 1 
       320 1 2 1 1 19 ARG HE   . 19 ARG HE   1 1 
       321 1 1 1 1 19 ARG H    . 19 ARG H    1 1 
       321 1 2 1 1 19 ARG QG   . 19 ARG QG   1 1 
       322 1 1 1 1 19 ARG H    . 19 ARG H    1 1 
       322 1 2 1 1 22 LEU QD   . 22 LEU QQD  1 1 
       323 1 1 1 1 19 ARG HA   . 19 ARG HA   1 1 
       323 1 2 1 1 19 ARG HE   . 19 ARG HE   1 1 
       324 1 1 1 1 19 ARG HA   . 19 ARG HA   1 1 
       324 1 2 1 1 20 TYR HA   . 20 TYR HA   1 1 
       325 1 1 1 1 19 ARG HA   . 19 ARG HA   1 1 
       325 1 2 1 1 22 LEU H    . 22 LEU H    1 1 
       326 1 1 1 1 19 ARG HA   . 19 ARG HA   1 1 
       326 1 2 1 1 22 LEU HB2  . 22 LEU HB2  1 1 
       327 1 1 1 1 19 ARG HA   . 19 ARG HA   1 1 
       327 1 2 1 1 22 LEU QB   . 22 LEU QB   1 1 
       328 1 1 1 1 19 ARG HA   . 19 ARG HA   1 1 
       328 1 2 1 1 22 LEU HB3  . 22 LEU HB3  1 1 
       329 1 1 1 1 19 ARG HA   . 19 ARG HA   1 1 
       329 1 2 1 1 22 LEU QD   . 22 LEU QQD  1 1 
       330 1 1 1 1 19 ARG HA   . 19 ARG HA   1 1 
       330 1 2 1 1 23 ASP H    . 23 ASP H    1 1 
       331 1 1 1 1 19 ARG HA   . 19 ARG HA   1 1 
       331 1 2 1 1 23 ASP HB2  . 23 ASP HB2  1 1 
       332 1 1 1 1 20 TYR H    . 20 TYR H    1 1 
       332 1 2 1 1 20 TYR HB2  . 20 TYR HB2  1 1 
       333 1 1 1 1 20 TYR H    . 20 TYR H    1 1 
       333 1 2 1 1 20 TYR QB   . 20 TYR QB   1 1 
       334 1 1 1 1 20 TYR H    . 20 TYR H    1 1 
       334 1 2 1 1 20 TYR HB3  . 20 TYR HB3  1 1 
       335 1 1 1 1 20 TYR H    . 20 TYR H    1 1 
       335 1 2 1 1 20 TYR QD   . 20 TYR QD   1 1 
       336 1 1 1 1 20 TYR H    . 20 TYR H    1 1 
       336 1 2 1 1 20 TYR QE   . 20 TYR QE   1 1 
       337 1 1 1 1 20 TYR H    . 20 TYR H    1 1 
       337 1 2 1 1 21 THR H    . 21 THR H    1 1 
       338 1 1 1 1 20 TYR H    . 20 TYR H    1 1 
       338 1 2 1 1 21 THR MG   . 21 THR QG2  1 1 
       339 1 1 1 1 20 TYR H    . 20 TYR H    1 1 
       339 1 2 1 1 22 LEU QD   . 22 LEU QQD  1 1 
       340 1 1 1 1 20 TYR HA   . 20 TYR HA   1 1 
       340 1 2 1 1 20 TYR QD   . 20 TYR QD   1 1 
       341 1 1 1 1 20 TYR HA   . 20 TYR HA   1 1 
       341 1 2 1 1 20 TYR QE   . 20 TYR QE   1 1 
       342 1 1 1 1 20 TYR HA   . 20 TYR HA   1 1 
       342 1 2 1 1 21 THR HA   . 21 THR HA   1 1 
       343 1 1 1 1 20 TYR HA   . 20 TYR HA   1 1 
       343 1 2 1 1 22 LEU H    . 22 LEU H    1 1 
       344 1 1 1 1 20 TYR HA   . 20 TYR HA   1 1 
       344 1 2 1 1 23 ASP H    . 23 ASP H    1 1 
       345 1 1 1 1 20 TYR HA   . 20 TYR HA   1 1 
       345 1 2 1 1 23 ASP HB2  . 23 ASP HB2  1 1 
       346 1 1 1 1 20 TYR HA   . 20 TYR HA   1 1 
       346 1 2 1 1 23 ASP HB3  . 23 ASP HB3  1 1 
       347 1 1 1 1 20 TYR HA   . 20 TYR HA   1 1 
       347 1 2 1 1 24 LEU H    . 24 LEU H    1 1 
       348 1 1 1 1 20 TYR QB   . 20 TYR QB   1 1 
       348 1 2 1 1 21 THR H    . 21 THR H    1 1 
       349 1 1 1 1 20 TYR HB2  . 20 TYR HB2  1 1 
       349 1 2 1 1 21 THR H    . 21 THR H    1 1 
       350 1 1 1 1 20 TYR HB2  . 20 TYR HB2  1 1 
       350 1 2 1 1 23 ASP H    . 23 ASP H    1 1 
       351 1 1 1 1 20 TYR HB3  . 20 TYR HB3  1 1 
       351 1 2 1 1 21 THR H    . 21 THR H    1 1 
       352 1 1 1 1 20 TYR HB3  . 20 TYR HB3  1 1 
       352 1 2 1 1 23 ASP H    . 23 ASP H    1 1 
       353 1 1 1 1 20 TYR QD   . 20 TYR QD   1 1 
       353 1 2 1 1 21 THR H    . 21 THR H    1 1 
       354 1 1 1 1 20 TYR QD   . 20 TYR QD   1 1 
       354 1 2 1 1 21 THR HA   . 21 THR HA   1 1 
       355 1 1 1 1 20 TYR QD   . 20 TYR QD   1 1 
       355 1 2 1 1 23 ASP HB3  . 23 ASP HB3  1 1 
       356 1 1 1 1 21 THR H    . 21 THR H    1 1 
       356 1 2 1 1 21 THR HB   . 21 THR HB   1 1 
       357 1 1 1 1 21 THR H    . 21 THR H    1 1 
       357 1 2 1 1 21 THR MG   . 21 THR QG2  1 1 
       358 1 1 1 1 21 THR HA   . 21 THR HA   1 1 
       358 1 2 1 1 21 THR MG   . 21 THR QG2  1 1 
       359 1 1 1 1 21 THR HA   . 21 THR HA   1 1 
       359 1 2 1 1 24 LEU H    . 24 LEU H    1 1 
       360 1 1 1 1 21 THR HA   . 21 THR HA   1 1 
       360 1 2 1 1 24 LEU QB   . 24 LEU QB   1 1 
       361 1 1 1 1 21 THR HA   . 21 THR HA   1 1 
       361 1 2 1 1 24 LEU QD   . 24 LEU QQD  1 1 
       362 1 1 1 1 21 THR MG   . 21 THR QG2  1 1 
       362 1 2 1 1 22 LEU H    . 22 LEU H    1 1 
       363 1 1 1 1 21 THR MG   . 21 THR QG2  1 1 
       363 1 2 1 1 22 LEU HA   . 22 LEU HA   1 1 
       364 1 1 1 1 21 THR MG   . 21 THR QG2  1 1 
       364 1 2 1 1 23 ASP H    . 23 ASP H    1 1 
       365 1 1 1 1 21 THR MG   . 21 THR QG2  1 1 
       365 1 2 1 1 24 LEU H    . 24 LEU H    1 1 
       366 1 1 1 1 22 LEU H    . 22 LEU H    1 1 
       366 1 2 1 1 22 LEU HB2  . 22 LEU HB2  1 1 
       367 1 1 1 1 22 LEU H    . 22 LEU H    1 1 
       367 1 2 1 1 22 LEU QB   . 22 LEU QB   1 1 
       368 1 1 1 1 22 LEU H    . 22 LEU H    1 1 
       368 1 2 1 1 22 LEU HB3  . 22 LEU HB3  1 1 
       369 1 1 1 1 22 LEU H    . 22 LEU H    1 1 
       369 1 2 1 1 22 LEU QD   . 22 LEU QQD  1 1 
       370 1 1 1 1 22 LEU H    . 22 LEU H    1 1 
       370 1 2 1 1 23 ASP H    . 23 ASP H    1 1 
       371 1 1 1 1 22 LEU H    . 22 LEU H    1 1 
       371 1 2 1 1 23 ASP HB2  . 23 ASP HB2  1 1 
       372 1 1 1 1 22 LEU HA   . 22 LEU HA   1 1 
       372 1 2 1 1 22 LEU MD1  . 22 LEU QD1  1 1 
       373 1 1 1 1 22 LEU HA   . 22 LEU HA   1 1 
       373 1 2 1 1 22 LEU QD   . 22 LEU QQD  1 1 
       374 1 1 1 1 22 LEU HA   . 22 LEU HA   1 1 
       374 1 2 1 1 22 LEU MD2  . 22 LEU QD2  1 1 
       375 1 1 1 1 22 LEU HA   . 22 LEU HA   1 1 
       375 1 2 1 1 23 ASP HA   . 23 ASP HA   1 1 
       376 1 1 1 1 22 LEU QB   . 22 LEU QB   1 1 
       376 1 2 1 1 22 LEU QD   . 22 LEU QQD  1 1 
       377 1 1 1 1 22 LEU QB   . 22 LEU QB   1 1 
       377 1 2 1 1 23 ASP H    . 23 ASP H    1 1 
       378 1 1 1 1 22 LEU HB2  . 22 LEU HB2  1 1 
       378 1 2 1 1 22 LEU MD1  . 22 LEU QD1  1 1 
       379 1 1 1 1 22 LEU HB2  . 22 LEU HB2  1 1 
       379 1 2 1 1 22 LEU MD2  . 22 LEU QD2  1 1 
       380 1 1 1 1 22 LEU HB2  . 22 LEU HB2  1 1 
       380 1 2 1 1 23 ASP H    . 23 ASP H    1 1 
       381 1 1 1 1 22 LEU HB3  . 22 LEU HB3  1 1 
       381 1 2 1 1 22 LEU MD1  . 22 LEU QD1  1 1 
       382 1 1 1 1 22 LEU HB3  . 22 LEU HB3  1 1 
       382 1 2 1 1 22 LEU MD2  . 22 LEU QD2  1 1 
       383 1 1 1 1 22 LEU HB3  . 22 LEU HB3  1 1 
       383 1 2 1 1 23 ASP H    . 23 ASP H    1 1 
       384 1 1 1 1 22 LEU QD   . 22 LEU QQD  1 1 
       384 1 2 1 1 23 ASP H    . 23 ASP H    1 1 
       385 1 1 1 1 22 LEU MD1  . 22 LEU QD1  1 1 
       385 1 2 1 1 23 ASP H    . 23 ASP H    1 1 
       386 1 1 1 1 22 LEU MD2  . 22 LEU QD2  1 1 
       386 1 2 1 1 23 ASP H    . 23 ASP H    1 1 
       387 1 1 1 1 23 ASP H    . 23 ASP H    1 1 
       387 1 2 1 1 23 ASP HB2  . 23 ASP HB2  1 1 
       388 1 1 1 1 23 ASP HA   . 23 ASP HA   1 1 
       388 1 2 1 1 25 LYS H    . 25 LYS H    1 1 
       389 1 1 1 1 23 ASP HB2  . 23 ASP HB2  1 1 
       389 1 2 1 1 24 LEU H    . 24 LEU H    1 1 
       390 1 1 1 1 23 ASP HB3  . 23 ASP HB3  1 1 
       390 1 2 1 1 24 LEU H    . 24 LEU H    1 1 
       391 1 1 1 1 23 ASP HB3  . 23 ASP HB3  1 1 
       391 1 2 1 1 24 LEU HA   . 24 LEU HA   1 1 
       392 1 1 1 1 24 LEU H    . 24 LEU H    1 1 
       392 1 2 1 1 24 LEU HB2  . 24 LEU HB2  1 1 
       393 1 1 1 1 24 LEU H    . 24 LEU H    1 1 
       393 1 2 1 1 24 LEU QB   . 24 LEU QB   1 1 
       394 1 1 1 1 24 LEU H    . 24 LEU H    1 1 
       394 1 2 1 1 24 LEU HB3  . 24 LEU HB3  1 1 
       395 1 1 1 1 24 LEU HA   . 24 LEU HA   1 1 
       395 1 2 1 1 24 LEU MD1  . 24 LEU QD1  1 1 
       396 1 1 1 1 24 LEU HA   . 24 LEU HA   1 1 
       396 1 2 1 1 24 LEU QD   . 24 LEU QQD  1 1 
       397 1 1 1 1 24 LEU HA   . 24 LEU HA   1 1 
       397 1 2 1 1 24 LEU MD2  . 24 LEU QD2  1 1 
       398 1 1 1 1 24 LEU QB   . 24 LEU QB   1 1 
       398 1 2 1 1 25 LYS H    . 25 LYS H    1 1 
    stop_

    loop_
       _Dist_constraint_value.Constraint_ID
       _Dist_constraint_value.Tree_node_ID
       _Dist_constraint_value.Source_experiment_ID
       _Dist_constraint_value.Spectral_peak_ID
       _Dist_constraint_value.Intensity_val
       _Dist_constraint_value.Intensity_lower_val_err
       _Dist_constraint_value.Intensity_upper_val_err
       _Dist_constraint_value.Distance_val
       _Dist_constraint_value.Distance_lower_bound_val
       _Dist_constraint_value.Distance_upper_bound_val
       _Dist_constraint_value.Entry_ID
       _Dist_constraint_value.Distance_constraint_list_ID

         1 1 . . . . . . . 3.42 1 1 
         2 1 . . . . . . .  5.5 1 1 
         3 1 . . . . . . . 3.29 1 1 
         4 1 . . . . . . .  3.6 1 1 
         5 1 . . . . . . . 2.93 1 1 
         6 1 . . . . . . . 4.59 1 1 
         7 1 . . . . . . . 3.83 1 1 
         8 1 . . . . . . . 4.59 1 1 
         9 1 . . . . . . . 4.85 1 1 
        10 1 . . . . . . . 4.13 1 1 
        11 1 . . . . . . . 3.59 1 1 
        12 1 . . . . . . . 4.13 1 1 
        13 1 . . . . . . . 4.06 1 1 
        14 1 . . . . . . . 3.74 1 1 
        15 1 . . . . . . . 4.07 1 1 
        16 1 . . . . . . .  5.5 1 1 
        17 1 . . . . . . . 4.24 1 1 
        18 1 . . . . . . . 1.57 1 1 
        19 1 . . . . . . . 3.19 1 1 
        20 1 . . . . . . . 5.34 1 1 
        21 1 . . . . . . . 3.52 1 1 
        22 1 . . . . . . . 3.52 1 1 
        23 1 . . . . . . . 3.81 1 1 
        24 1 . . . . . . . 3.52 1 1 
        25 1 . . . . . . . 3.52 1 1 
        26 1 . . . . . . . 3.81 1 1 
        27 1 . . . . . . . 5.19 1 1 
        28 1 . . . . . . . 4.38 1 1 
        29 1 . . . . . . . 5.15 1 1 
        30 1 . . . . . . . 5.44 1 1 
        31 1 . . . . . . .  5.5 1 1 
        32 1 . . . . . . .  5.5 1 1 
        33 1 . . . . . . . 4.15 1 1 
        34 1 . . . . . . . 3.49 1 1 
        35 1 . . . . . . . 4.15 1 1 
        36 1 . . . . . . . 5.34 1 1 
        37 1 . . . . . . . 5.26 1 1 
        38 1 . . . . . . . 4.49 1 1 
        39 1 . . . . . . . 5.26 1 1 
        40 1 . . . . . . . 5.12 1 1 
        41 1 . . . . . . . 3.92 1 1 
        42 1 . . . . . . . 4.59 1 1 
        43 1 . . . . . . . 4.59 1 1 
        44 1 . . . . . . .  5.5 1 1 
        45 1 . . . . . . .  5.5 1 1 
        46 1 . . . . . . .  3.3 1 1 
        47 1 . . . . . . .  5.3 1 1 
        48 1 . . . . . . . 5.43 1 1 
        49 1 . . . . . . . 4.62 1 1 
        50 1 . . . . . . . 5.43 1 1 
        51 1 . . . . . . . 5.01 1 1 
        52 1 . . . . . . .  5.5 1 1 
        53 1 . . . . . . . 4.77 1 1 
        54 1 . . . . . . .  5.5 1 1 
        55 1 . . . . . . . 3.21 1 1 
        56 1 . . . . . . . 5.37 1 1 
        57 1 . . . . . . . 3.94 1 1 
        58 1 . . . . . . . 3.66 1 1 
        59 1 . . . . . . . 5.08 1 1 
        60 1 . . . . . . . 4.73 1 1 
        61 1 . . . . . . . 5.36 1 1 
        62 1 . . . . . . .  5.5 1 1 
        63 1 . . . . . . . 4.66 1 1 
        64 1 . . . . . . .  5.5 1 1 
        65 1 . . . . . . . 4.91 1 1 
        66 1 . . . . . . .  5.5 1 1 
        67 1 . . . . . . .  5.5 1 1 
        68 1 . . . . . . .  5.5 1 1 
        69 1 . . . . . . .  5.5 1 1 
        70 1 . . . . . . .  5.5 1 1 
        71 1 . . . . . . . 3.35 1 1 
        72 1 . . . . . . . 3.64 1 1 
        73 1 . . . . . . . 5.09 1 1 
        74 1 . . . . . . . 4.75 1 1 
        75 1 . . . . . . .  4.2 1 1 
        76 1 . . . . . . .  5.5 1 1 
        77 1 . . . . . . . 4.17 1 1 
        78 1 . . . . . . . 5.09 1 1 
        79 1 . . . . . . . 5.12 1 1 
        80 1 . . . . . . . 3.51 1 1 
        81 1 . . . . . . . 3.46 1 1 
        82 1 . . . . . . .  5.0 1 1 
        83 1 . . . . . . .  5.5 1 1 
        84 1 . . . . . . .  3.5 1 1 
        85 1 . . . . . . .  5.5 1 1 
        86 1 . . . . . . . 3.69 1 1 
        87 1 . . . . . . . 4.68 1 1 
        88 1 . . . . . . . 4.88 1 1 
        89 1 . . . . . . . 4.16 1 1 
        90 1 . . . . . . . 5.15 1 1 
        91 1 . . . . . . . 5.38 1 1 
        92 1 . . . . . . . 5.23 1 1 
        93 1 . . . . . . . 4.22 1 1 
        94 1 . . . . . . .  5.5 1 1 
        95 1 . . . . . . . 4.69 1 1 
        96 1 . . . . . . .  5.5 1 1 
        97 1 . . . . . . . 4.84 1 1 
        98 1 . . . . . . .  4.1 1 1 
        99 1 . . . . . . . 4.84 1 1 
       100 1 . . . . . . . 4.95 1 1 
       101 1 . . . . . . . 3.26 1 1 
       102 1 . . . . . . .  5.5 1 1 
       103 1 . . . . . . . 3.99 1 1 
       104 1 . . . . . . .  3.8 1 1 
       105 1 . . . . . . .  4.9 1 1 
       106 1 . . . . . . .  5.5 1 1 
       107 1 . . . . . . .  5.5 1 1 
       108 1 . . . . . . . 4.79 1 1 
       109 1 . . . . . . .  5.5 1 1 
       110 1 . . . . . . . 3.82 1 1 
       111 1 . . . . . . . 3.82 1 1 
       112 1 . . . . . . . 4.74 1 1 
       113 1 . . . . . . . 5.38 1 1 
       114 1 . . . . . . . 4.12 1 1 
       115 1 . . . . . . . 3.48 1 1 
       116 1 . . . . . . .  5.5 1 1 
       117 1 . . . . . . . 1.56 1 1 
       118 1 . . . . . . . 3.65 1 1 
       119 1 . . . . . . . 4.38 1 1 
       120 1 . . . . . . . 4.38 1 1 
       121 1 . . . . . . .  5.5 1 1 
       122 1 . . . . . . .  5.5 1 1 
       123 1 . . . . . . .  3.7 1 1 
       124 1 . . . . . . . 3.03 1 1 
       125 1 . . . . . . .  3.7 1 1 
       126 1 . . . . . . . 3.76 1 1 
       127 1 . . . . . . . 4.35 1 1 
       128 1 . . . . . . .  5.5 1 1 
       129 1 . . . . . . . 5.44 1 1 
       130 1 . . . . . . .  5.5 1 1 
       131 1 . . . . . . .  5.5 1 1 
       132 1 . . . . . . . 3.29 1 1 
       133 1 . . . . . . . 5.34 1 1 
       134 1 . . . . . . . 3.75 1 1 
       135 1 . . . . . . . 3.79 1 1 
       136 1 . . . . . . . 3.52 1 1 
       137 1 . . . . . . . 1.56 1 1 
       138 1 . . . . . . . 1.57 1 1 
       139 1 . . . . . . . 3.53 1 1 
       140 1 . . . . . . . 3.53 1 1 
       141 1 . . . . . . . 3.53 1 1 
       142 1 . . . . . . . 3.53 1 1 
       143 1 . . . . . . . 1.57 1 1 
       144 1 . . . . . . . 3.53 1 1 
       145 1 . . . . . . . 3.53 1 1 
       146 1 . . . . . . . 3.53 1 1 
       147 1 . . . . . . . 3.53 1 1 
       148 1 . . . . . . . 3.07 1 1 
       149 1 . . . . . . . 3.28 1 1 
       150 1 . . . . . . . 5.45 1 1 
       151 1 . . . . . . . 3.16 1 1 
       152 1 . . . . . . . 3.36 1 1 
       153 1 . . . . . . .  3.8 1 1 
       154 1 . . . . . . . 3.54 1 1 
       155 1 . . . . . . .  5.5 1 1 
       156 1 . . . . . . . 3.64 1 1 
       157 1 . . . . . . . 4.48 1 1 
       158 1 . . . . . . . 5.05 1 1 
       159 1 . . . . . . . 4.99 1 1 
       160 1 . . . . . . .  5.5 1 1 
       161 1 . . . . . . .  4.7 1 1 
       162 1 . . . . . . .  5.5 1 1 
       163 1 . . . . . . .  5.3 1 1 
       164 1 . . . . . . . 4.86 1 1 
       165 1 . . . . . . . 5.49 1 1 
       166 1 . . . . . . . 3.76 1 1 
       167 1 . . . . . . . 3.29 1 1 
       168 1 . . . . . . . 3.76 1 1 
       169 1 . . . . . . . 4.77 1 1 
       170 1 . . . . . . . 5.17 1 1 
       171 1 . . . . . . . 3.74 1 1 
       172 1 . . . . . . . 5.39 1 1 
       173 1 . . . . . . .  5.5 1 1 
       174 1 . . . . . . . 4.41 1 1 
       175 1 . . . . . . . 4.75 1 1 
       176 1 . . . . . . . 3.23 1 1 
       177 1 . . . . . . . 5.39 1 1 
       178 1 . . . . . . . 5.06 1 1 
       179 1 . . . . . . . 3.96 1 1 
       180 1 . . . . . . . 4.08 1 1 
       181 1 . . . . . . . 3.38 1 1 
       182 1 . . . . . . . 4.08 1 1 
       183 1 . . . . . . . 5.05 1 1 
       184 1 . . . . . . . 3.45 1 1 
       185 1 . . . . . . . 5.34 1 1 
       186 1 . . . . . . . 1.57 1 1 
       187 1 . . . . . . . 3.52 1 1 
       188 1 . . . . . . . 3.52 1 1 
       189 1 . . . . . . . 3.52 1 1 
       190 1 . . . . . . . 3.52 1 1 
       191 1 . . . . . . .  5.5 1 1 
       192 1 . . . . . . .  4.7 1 1 
       193 1 . . . . . . . 3.93 1 1 
       194 1 . . . . . . . 5.34 1 1 
       195 1 . . . . . . . 4.32 1 1 
       196 1 . . . . . . . 5.24 1 1 
       197 1 . . . . . . . 3.53 1 1 
       198 1 . . . . . . . 3.52 1 1 
       199 1 . . . . . . . 3.47 1 1 
       200 1 . . . . . . .  2.9 1 1 
       201 1 . . . . . . . 3.47 1 1 
       202 1 . . . . . . .  5.5 1 1 
       203 1 . . . . . . . 5.34 1 1 
       204 1 . . . . . . . 4.23 1 1 
       205 1 . . . . . . . 3.52 1 1 
       206 1 . . . . . . . 4.71 1 1 
       207 1 . . . . . . . 4.41 1 1 
       208 1 . . . . . . . 3.72 1 1 
       209 1 . . . . . . . 3.72 1 1 
       210 1 . . . . . . . 2.75 1 1 
       211 1 . . . . . . . 4.83 1 1 
       212 1 . . . . . . . 4.43 1 1 
       213 1 . . . . . . . 2.75 1 1 
       214 1 . . . . . . . 4.24 1 1 
       215 1 . . . . . . .  5.5 1 1 
       216 1 . . . . . . .  5.5 1 1 
       217 1 . . . . . . . 4.24 1 1 
       218 1 . . . . . . .  5.5 1 1 
       219 1 . . . . . . .  5.5 1 1 
       220 1 . . . . . . . 3.33 1 1 
       221 1 . . . . . . . 4.64 1 1 
       222 1 . . . . . . . 4.22 1 1 
       223 1 . . . . . . . 3.84 1 1 
       224 1 . . . . . . . 5.43 1 1 
       225 1 . . . . . . .  5.5 1 1 
       226 1 . . . . . . . 4.64 1 1 
       227 1 . . . . . . .  5.5 1 1 
       228 1 . . . . . . . 5.46 1 1 
       229 1 . . . . . . .  3.7 1 1 
       230 1 . . . . . . . 1.57 1 1 
       231 1 . . . . . . . 3.52 1 1 
       232 1 . . . . . . . 3.52 1 1 
       233 1 . . . . . . . 3.52 1 1 
       234 1 . . . . . . . 3.52 1 1 
       235 1 . . . . . . . 3.57 1 1 
       236 1 . . . . . . . 3.05 1 1 
       237 1 . . . . . . . 3.57 1 1 
       238 1 . . . . . . . 5.02 1 1 
       239 1 . . . . . . .  5.5 1 1 
       240 1 . . . . . . . 3.61 1 1 
       241 1 . . . . . . . 4.52 1 1 
       242 1 . . . . . . .  4.8 1 1 
       243 1 . . . . . . . 4.22 1 1 
       244 1 . . . . . . . 3.74 1 1 
       245 1 . . . . . . .  4.4 1 1 
       246 1 . . . . . . . 3.86 1 1 
       247 1 . . . . . . .  4.4 1 1 
       248 1 . . . . . . . 3.53 1 1 
       249 1 . . . . . . . 4.85 1 1 
       250 1 . . . . . . . 1.56 1 1 
       251 1 . . . . . . . 4.03 1 1 
       252 1 . . . . . . .  5.5 1 1 
       253 1 . . . . . . . 4.03 1 1 
       254 1 . . . . . . .  5.5 1 1 
       255 1 . . . . . . .  5.5 1 1 
       256 1 . . . . . . . 3.08 1 1 
       257 1 . . . . . . . 3.85 1 1 
       258 1 . . . . . . . 5.48 1 1 
       259 1 . . . . . . . 4.87 1 1 
       260 1 . . . . . . . 3.55 1 1 
       261 1 . . . . . . . 3.59 1 1 
       262 1 . . . . . . . 3.08 1 1 
       263 1 . . . . . . . 3.59 1 1 
       264 1 . . . . . . .  3.7 1 1 
       265 1 . . . . . . .  4.8 1 1 
       266 1 . . . . . . . 4.68 1 1 
       267 1 . . . . . . . 5.08 1 1 
       268 1 . . . . . . . 4.12 1 1 
       269 1 . . . . . . . 3.49 1 1 
       270 1 . . . . . . . 4.34 1 1 
       271 1 . . . . . . .  5.5 1 1 
       272 1 . . . . . . . 3.12 1 1 
       273 1 . . . . . . . 4.51 1 1 
       274 1 . . . . . . . 3.88 1 1 
       275 1 . . . . . . . 4.51 1 1 
       276 1 . . . . . . .  5.5 1 1 
       277 1 . . . . . . . 1.56 1 1 
       278 1 . . . . . . . 5.01 1 1 
       279 1 . . . . . . . 2.98 1 1 
       280 1 . . . . . . . 5.11 1 1 
       281 1 . . . . . . . 5.11 1 1 
       282 1 . . . . . . .  5.5 1 1 
       283 1 . . . . . . . 3.82 1 1 
       284 1 . . . . . . . 3.35 1 1 
       285 1 . . . . . . . 3.82 1 1 
       286 1 . . . . . . . 3.57 1 1 
       287 1 . . . . . . . 5.09 1 1 
       288 1 . . . . . . .  5.5 1 1 
       289 1 . . . . . . . 3.54 1 1 
       290 1 . . . . . . .  5.5 1 1 
       291 1 . . . . . . . 4.21 1 1 
       292 1 . . . . . . . 4.28 1 1 
       293 1 . . . . . . . 4.28 1 1 
       294 1 . . . . . . . 3.21 1 1 
       295 1 . . . . . . . 4.45 1 1 
       296 1 . . . . . . . 3.72 1 1 
       297 1 . . . . . . .  5.5 1 1 
       298 1 . . . . . . .  5.5 1 1 
       299 1 . . . . . . . 4.37 1 1 
       300 1 . . . . . . .  4.6 1 1 
       301 1 . . . . . . . 5.37 1 1 
       302 1 . . . . . . . 4.74 1 1 
       303 1 . . . . . . . 4.28 1 1 
       304 1 . . . . . . .  4.2 1 1 
       305 1 . . . . . . . 3.38 1 1 
       306 1 . . . . . . . 4.87 1 1 
       307 1 . . . . . . . 4.48 1 1 
       308 1 . . . . . . . 4.85 1 1 
       309 1 . . . . . . . 4.42 1 1 
       310 1 . . . . . . .  5.5 1 1 
       311 1 . . . . . . . 4.77 1 1 
       312 1 . . . . . . . 3.93 1 1 
       313 1 . . . . . . . 5.03 1 1 
       314 1 . . . . . . .  5.5 1 1 
       315 1 . . . . . . . 4.36 1 1 
       316 1 . . . . . . . 3.76 1 1 
       317 1 . . . . . . . 4.36 1 1 
       318 1 . . . . . . . 4.69 1 1 
       319 1 . . . . . . . 3.53 1 1 
       320 1 . . . . . . . 5.35 1 1 
       321 1 . . . . . . . 3.29 1 1 
       322 1 . . . . . . . 5.34 1 1 
       323 1 . . . . . . .  5.5 1 1 
       324 1 . . . . . . .  5.5 1 1 
       325 1 . . . . . . .  3.6 1 1 
       326 1 . . . . . . . 3.96 1 1 
       327 1 . . . . . . .  3.3 1 1 
       328 1 . . . . . . . 3.96 1 1 
       329 1 . . . . . . . 4.44 1 1 
       330 1 . . . . . . .  4.0 1 1 
       331 1 . . . . . . .  5.5 1 1 
       332 1 . . . . . . . 3.54 1 1 
       333 1 . . . . . . . 2.91 1 1 
       334 1 . . . . . . . 3.54 1 1 
       335 1 . . . . . . . 4.23 1 1 
       336 1 . . . . . . .  5.5 1 1 
       337 1 . . . . . . . 4.07 1 1 
       338 1 . . . . . . .  5.5 1 1 
       339 1 . . . . . . . 5.44 1 1 
       340 1 . . . . . . . 3.88 1 1 
       341 1 . . . . . . . 4.75 1 1 
       342 1 . . . . . . .  5.5 1 1 
       343 1 . . . . . . . 4.35 1 1 
       344 1 . . . . . . . 3.86 1 1 
       345 1 . . . . . . . 3.91 1 1 
       346 1 . . . . . . . 4.18 1 1 
       347 1 . . . . . . . 4.98 1 1 
       348 1 . . . . . . . 3.52 1 1 
       349 1 . . . . . . . 4.05 1 1 
       350 1 . . . . . . .  5.5 1 1 
       351 1 . . . . . . . 4.05 1 1 
       352 1 . . . . . . .  5.5 1 1 
       353 1 . . . . . . . 4.35 1 1 
       354 1 . . . . . . .  5.5 1 1 
       355 1 . . . . . . .  5.5 1 1 
       356 1 . . . . . . . 3.44 1 1 
       357 1 . . . . . . . 3.87 1 1 
       358 1 . . . . . . . 3.28 1 1 
       359 1 . . . . . . . 4.06 1 1 
       360 1 . . . . . . . 3.11 1 1 
       361 1 . . . . . . .  4.8 1 1 
       362 1 . . . . . . . 4.68 1 1 
       363 1 . . . . . . . 4.57 1 1 
       364 1 . . . . . . .  5.5 1 1 
       365 1 . . . . . . .  5.5 1 1 
       366 1 . . . . . . . 4.14 1 1 
       367 1 . . . . . . . 3.38 1 1 
       368 1 . . . . . . . 4.14 1 1 
       369 1 . . . . . . .  4.6 1 1 
       370 1 . . . . . . .  3.6 1 1 
       371 1 . . . . . . . 4.81 1 1 
       372 1 . . . . . . . 4.28 1 1 
       373 1 . . . . . . . 3.58 1 1 
       374 1 . . . . . . . 4.28 1 1 
       375 1 . . . . . . . 4.99 1 1 
       376 1 . . . . . . . 1.57 1 1 
       377 1 . . . . . . . 3.67 1 1 
       378 1 . . . . . . . 3.52 1 1 
       379 1 . . . . . . . 3.52 1 1 
       380 1 . . . . . . . 4.29 1 1 
       381 1 . . . . . . . 3.52 1 1 
       382 1 . . . . . . . 3.52 1 1 
       383 1 . . . . . . . 4.29 1 1 
       384 1 . . . . . . . 4.78 1 1 
       385 1 . . . . . . .  5.5 1 1 
       386 1 . . . . . . .  5.5 1 1 
       387 1 . . . . . . . 3.32 1 1 
       388 1 . . . . . . . 4.51 1 1 
       389 1 . . . . . . . 4.74 1 1 
       390 1 . . . . . . . 4.96 1 1 
       391 1 . . . . . . . 4.92 1 1 
       392 1 . . . . . . . 4.18 1 1 
       393 1 . . . . . . . 3.48 1 1 
       394 1 . . . . . . . 4.18 1 1 
       395 1 . . . . . . . 4.08 1 1 
       396 1 . . . . . . . 3.44 1 1 
       397 1 . . . . . . . 4.08 1 1 
       398 1 . . . . . . . 3.38 1 1 
    stop_

save_


save_conformer_family_coord_set_1
    _Conformer_family_coord_set.Sf_category  conformer_family_coord_set
    _Conformer_family_coord_set.Entry_ID     1
    _Conformer_family_coord_set.ID           1

    loop_
       _Atom_site.Model_ID
       _Atom_site.ID
       _Atom_site.Label_entity_assembly_ID
       _Atom_site.Label_entity_ID
       _Atom_site.Label_comp_index_ID
       _Atom_site.Label_comp_ID
       _Atom_site.Label_atom_ID
       _Atom_site.Type_symbol
       _Atom_site.Cartn_x
       _Atom_site.Cartn_y
       _Atom_site.Cartn_z
       _Atom_site.Occupancy
       _Atom_site.Uncertainty
       _Atom_site.PDBX_label_asym_ID
       _Atom_site.PDB_strand_ID
       _Atom_site.PDB_ins_code
       _Atom_site.PDB_residue_no
       _Atom_site.PDB_residue_name
       _Atom_site.PDB_atom_name
       _Atom_site.Entry_ID
       _Atom_site.Conformer_family_coord_set_ID

       1   1 1 1  1 ARG C    C   1.375  -0.804  -2.322 1.00 . A A .  1 ARG C    1 1 
       1   2 1 1  1 ARG CA   C   2.093   0.000  -1.242 1.00 . A A .  1 ARG CA   1 1 
       1   3 1 1  1 ARG CB   C   3.490  -0.577  -1.006 1.00 . A A .  1 ARG CB   1 1 
       1   4 1 1  1 ARG CD   C   5.919   0.021  -0.760 1.00 . A A .  1 ARG CD   1 1 
       1   5 1 1  1 ARG CG   C   4.485   0.438  -0.468 1.00 . A A .  1 ARG CG   1 1 
       1   6 1 1  1 ARG CZ   C   7.702  -1.315   0.279 1.00 . A A .  1 ARG CZ   1 1 
       1   7 1 1  1 ARG H1   H   1.807   0.001   0.855 1.00 . A A .  1 ARG H1   1 1 
       1   8 1 1  1 ARG HA   H   2.187   1.023  -1.574 1.00 . A A .  1 ARG HA   1 1 
       1   9 1 1  1 ARG HB2  H   3.417  -1.388  -0.296 1.00 . A A .  1 ARG HB2  1 1 
       1  10 1 1  1 ARG HB3  H   3.870  -0.961  -1.940 1.00 . A A .  1 ARG HB3  1 1 
       1  11 1 1  1 ARG HD2  H   5.934  -0.549  -1.676 1.00 . A A .  1 ARG HD2  1 1 
       1  12 1 1  1 ARG HD3  H   6.520   0.910  -0.878 1.00 . A A .  1 ARG HD3  1 1 
       1  13 1 1  1 ARG HE   H   5.920  -0.958   1.100 1.00 . A A .  1 ARG HE   1 1 
       1  14 1 1  1 ARG HG2  H   4.299   1.394  -0.935 1.00 . A A .  1 ARG HG2  1 1 
       1  15 1 1  1 ARG HG3  H   4.355   0.525   0.600 1.00 . A A .  1 ARG HG3  1 1 
       1  16 1 1  1 ARG HH11 H   8.155  -0.559  -1.539 1.00 . A A .  1 ARG HH11 1 1 
       1  17 1 1  1 ARG HH12 H   9.403  -1.503  -0.796 1.00 . A A .  1 ARG HH12 1 1 
       1  18 1 1  1 ARG HH21 H   7.556  -2.203   2.089 1.00 . A A .  1 ARG HH21 1 1 
       1  19 1 1  1 ARG HH22 H   9.061  -2.438   1.267 1.00 . A A .  1 ARG HH22 1 1 
       1  20 1 1  1 ARG N    N   1.329   0.000   0.000 1.00 . A A .  1 ARG N    1 1 
       1  21 1 1  1 ARG NE   N   6.481  -0.793   0.315 1.00 . A A .  1 ARG NE   1 1 
       1  22 1 1  1 ARG NH1  N   8.484  -1.109  -0.772 1.00 . A A .  1 ARG NH1  1 1 
       1  23 1 1  1 ARG NH2  N   8.143  -2.045   1.295 1.00 . A A .  1 ARG NH2  1 1 
       1  24 1 1  1 ARG O    O   0.723  -1.808  -2.033 1.00 . A A .  1 ARG O    1 1 
       1  25 1 1  2 LEU C    C   1.266  -2.500  -4.743 1.00 . A A .  2 LEU C    1 1 
       1  26 1 1  2 LEU CA   C   0.860  -1.031  -4.690 1.00 . A A .  2 LEU CA   1 1 
       1  27 1 1  2 LEU CB   C   1.231  -0.340  -6.004 1.00 . A A .  2 LEU CB   1 1 
       1  28 1 1  2 LEU CD1  C  -0.008   0.649  -7.945 1.00 . A A .  2 LEU CD1  1 1 
       1  29 1 1  2 LEU CD2  C   0.973  -1.645  -8.129 1.00 . A A .  2 LEU CD2  1 1 
       1  30 1 1  2 LEU CG   C   0.321  -0.634  -7.197 1.00 . A A .  2 LEU CG   1 1 
       1  31 1 1  2 LEU H    H   2.029   0.451  -3.734 1.00 . A A .  2 LEU H    1 1 
       1  32 1 1  2 LEU HA   H  -0.209  -0.970  -4.550 1.00 . A A .  2 LEU HA   1 1 
       1  33 1 1  2 LEU HB2  H   1.218   0.725  -5.832 1.00 . A A .  2 LEU HB2  1 1 
       1  34 1 1  2 LEU HB3  H   2.233  -0.648  -6.267 1.00 . A A .  2 LEU HB3  1 1 
       1  35 1 1  2 LEU HD11 H   0.094   1.491  -7.278 1.00 . A A .  2 LEU HD11 1 1 
       1  36 1 1  2 LEU HD12 H  -1.023   0.601  -8.312 1.00 . A A .  2 LEU HD12 1 1 
       1  37 1 1  2 LEU HD13 H   0.670   0.763  -8.778 1.00 . A A .  2 LEU HD13 1 1 
       1  38 1 1  2 LEU HD21 H   0.325  -2.502  -8.240 1.00 . A A .  2 LEU HD21 1 1 
       1  39 1 1  2 LEU HD22 H   1.918  -1.960  -7.712 1.00 . A A .  2 LEU HD22 1 1 
       1  40 1 1  2 LEU HD23 H   1.138  -1.190  -9.094 1.00 . A A .  2 LEU HD23 1 1 
       1  41 1 1  2 LEU HG   H  -0.607  -1.058  -6.838 1.00 . A A .  2 LEU HG   1 1 
       1  42 1 1  2 LEU N    N   1.498  -0.354  -3.566 1.00 . A A .  2 LEU N    1 1 
       1  43 1 1  2 LEU O    O   0.484  -3.355  -5.157 1.00 . A A .  2 LEU O    1 1 
       1  44 1 1  3 GLN C    C   2.098  -5.068  -3.497 1.00 . A A .  3 GLN C    1 1 
       1  45 1 1  3 GLN CA   C   3.002  -4.152  -4.317 1.00 . A A .  3 GLN CA   1 1 
       1  46 1 1  3 GLN CB   C   4.425  -4.188  -3.758 1.00 . A A .  3 GLN CB   1 1 
       1  47 1 1  3 GLN CD   C   5.083  -6.625  -3.653 1.00 . A A .  3 GLN CD   1 1 
       1  48 1 1  3 GLN CG   C   5.283  -5.294  -4.350 1.00 . A A .  3 GLN CG   1 1 
       1  49 1 1  3 GLN H    H   3.069  -2.060  -4.001 1.00 . A A .  3 GLN H    1 1 
       1  50 1 1  3 GLN HA   H   3.016  -4.502  -5.338 1.00 . A A .  3 GLN HA   1 1 
       1  51 1 1  3 GLN HB2  H   4.903  -3.242  -3.963 1.00 . A A .  3 GLN HB2  1 1 
       1  52 1 1  3 GLN HB3  H   4.376  -4.334  -2.689 1.00 . A A .  3 GLN HB3  1 1 
       1  53 1 1  3 GLN HE21 H   4.183  -7.362  -5.266 1.00 . A A .  3 GLN HE21 1 1 
       1  54 1 1  3 GLN HE22 H   4.325  -8.443  -3.926 1.00 . A A .  3 GLN HE22 1 1 
       1  55 1 1  3 GLN HG2  H   5.029  -5.410  -5.394 1.00 . A A .  3 GLN HG2  1 1 
       1  56 1 1  3 GLN HG3  H   6.322  -5.012  -4.263 1.00 . A A .  3 GLN HG3  1 1 
       1  57 1 1  3 GLN N    N   2.493  -2.786  -4.319 1.00 . A A .  3 GLN N    1 1 
       1  58 1 1  3 GLN NE2  N   4.468  -7.573  -4.351 1.00 . A A .  3 GLN NE2  1 1 
       1  59 1 1  3 GLN O    O   1.768  -4.764  -2.351 1.00 . A A .  3 GLN O    1 1 
       1  60 1 1  3 GLN OE1  O   5.475  -6.800  -2.499 1.00 . A A .  3 GLN OE1  1 1 
       1  61 1 1  4 GLN C    C  -0.532  -6.537  -3.132 1.00 . A A .  4 GLN C    1 1 
       1  62 1 1  4 GLN CA   C   0.836  -7.147  -3.418 1.00 . A A .  4 GLN CA   1 1 
       1  63 1 1  4 GLN CB   C   1.481  -7.618  -2.113 1.00 . A A .  4 GLN CB   1 1 
       1  64 1 1  4 GLN CD   C   2.000  -9.918  -1.206 1.00 . A A .  4 GLN CD   1 1 
       1  65 1 1  4 GLN CG   C   0.917  -8.931  -1.595 1.00 . A A .  4 GLN CG   1 1 
       1  66 1 1  4 GLN H    H   2.000  -6.374  -5.008 1.00 . A A .  4 GLN H    1 1 
       1  67 1 1  4 GLN HA   H   0.708  -7.996  -4.072 1.00 . A A .  4 GLN HA   1 1 
       1  68 1 1  4 GLN HB2  H   2.541  -7.744  -2.274 1.00 . A A .  4 GLN HB2  1 1 
       1  69 1 1  4 GLN HB3  H   1.327  -6.863  -1.356 1.00 . A A .  4 GLN HB3  1 1 
       1  70 1 1  4 GLN HE21 H   2.998  -8.485  -0.256 1.00 . A A .  4 GLN HE21 1 1 
       1  71 1 1  4 GLN HE22 H   3.723 -10.053  -0.224 1.00 . A A .  4 GLN HE22 1 1 
       1  72 1 1  4 GLN HG2  H   0.307  -8.730  -0.728 1.00 . A A .  4 GLN HG2  1 1 
       1  73 1 1  4 GLN HG3  H   0.307  -9.375  -2.368 1.00 . A A .  4 GLN HG3  1 1 
       1  74 1 1  4 GLN N    N   1.703  -6.188  -4.093 1.00 . A A .  4 GLN N    1 1 
       1  75 1 1  4 GLN NE2  N   3.010  -9.437  -0.490 1.00 . A A .  4 GLN NE2  1 1 
       1  76 1 1  4 GLN O    O  -1.304  -7.068  -2.333 1.00 . A A .  4 GLN O    1 1 
       1  77 1 1  4 GLN OE1  O   1.930 -11.100  -1.544 1.00 . A A .  4 GLN OE1  1 1 
       1  78 1 1  5 TRP C    C  -3.054  -5.045  -4.754 1.00 . A A .  5 TRP C    1 1 
       1  79 1 1  5 TRP CA   C  -2.101  -4.738  -3.604 1.00 . A A .  5 TRP CA   1 1 
       1  80 1 1  5 TRP CB   C  -1.884  -3.228  -3.494 1.00 . A A .  5 TRP CB   1 1 
       1  81 1 1  5 TRP CD1  C  -2.675  -2.116  -1.324 1.00 . A A .  5 TRP CD1  1 1 
       1  82 1 1  5 TRP CD2  C  -4.237  -2.224  -2.927 1.00 . A A .  5 TRP CD2  1 1 
       1  83 1 1  5 TRP CE2  C  -4.795  -1.596  -1.796 1.00 . A A .  5 TRP CE2  1 1 
       1  84 1 1  5 TRP CE3  C  -5.033  -2.401  -4.061 1.00 . A A .  5 TRP CE3  1 1 
       1  85 1 1  5 TRP CG   C  -2.880  -2.548  -2.604 1.00 . A A .  5 TRP CG   1 1 
       1  86 1 1  5 TRP CH2  C  -6.870  -1.334  -2.894 1.00 . A A .  5 TRP CH2  1 1 
       1  87 1 1  5 TRP CZ2  C  -6.113  -1.147  -1.769 1.00 . A A .  5 TRP CZ2  1 1 
       1  88 1 1  5 TRP CZ3  C  -6.341  -1.955  -4.033 1.00 . A A .  5 TRP CZ3  1 1 
       1  89 1 1  5 TRP H    H  -0.169  -5.046  -4.412 1.00 . A A .  5 TRP H    1 1 
       1  90 1 1  5 TRP HA   H  -2.538  -5.098  -2.684 1.00 . A A .  5 TRP HA   1 1 
       1  91 1 1  5 TRP HB2  H  -0.898  -3.040  -3.095 1.00 . A A .  5 TRP HB2  1 1 
       1  92 1 1  5 TRP HB3  H  -1.960  -2.789  -4.478 1.00 . A A .  5 TRP HB3  1 1 
       1  93 1 1  5 TRP HD1  H  -1.743  -2.219  -0.790 1.00 . A A .  5 TRP HD1  1 1 
       1  94 1 1  5 TRP HE1  H  -3.928  -1.158   0.063 1.00 . A A .  5 TRP HE1  1 1 
       1  95 1 1  5 TRP HE3  H  -4.644  -2.878  -4.948 1.00 . A A .  5 TRP HE3  1 1 
       1  96 1 1  5 TRP HH2  H  -7.897  -1.002  -2.916 1.00 . A A .  5 TRP HH2  1 1 
       1  97 1 1  5 TRP HZ2  H  -6.535  -0.666  -0.899 1.00 . A A .  5 TRP HZ2  1 1 
       1  98 1 1  5 TRP HZ3  H  -6.972  -2.084  -4.900 1.00 . A A .  5 TRP HZ3  1 1 
       1  99 1 1  5 TRP N    N  -0.825  -5.421  -3.788 1.00 . A A .  5 TRP N    1 1 
       1 100 1 1  5 TRP NE1  N  -3.823  -1.543  -0.832 1.00 . A A .  5 TRP NE1  1 1 
       1 101 1 1  5 TRP O    O  -4.092  -5.678  -4.560 1.00 . A A .  5 TRP O    1 1 
       1 102 1 1  6 ARG C    C  -3.198  -6.168  -7.769 1.00 . A A .  6 ARG C    1 1 
       1 103 1 1  6 ARG CA   C  -3.519  -4.819  -7.132 1.00 . A A .  6 ARG CA   1 1 
       1 104 1 1  6 ARG CB   C  -3.306  -3.698  -8.151 1.00 . A A .  6 ARG CB   1 1 
       1 105 1 1  6 ARG CD   C  -3.360  -1.258  -7.549 1.00 . A A .  6 ARG CD   1 1 
       1 106 1 1  6 ARG CG   C  -4.187  -2.482  -7.911 1.00 . A A .  6 ARG CG   1 1 
       1 107 1 1  6 ARG CZ   C  -3.524   1.169  -7.905 1.00 . A A .  6 ARG CZ   1 1 
       1 108 1 1  6 ARG H    H  -1.855  -4.095  -6.042 1.00 . A A .  6 ARG H    1 1 
       1 109 1 1  6 ARG HA   H  -4.553  -4.819  -6.820 1.00 . A A .  6 ARG HA   1 1 
       1 110 1 1  6 ARG HB2  H  -2.274  -3.381  -8.110 1.00 . A A .  6 ARG HB2  1 1 
       1 111 1 1  6 ARG HB3  H  -3.518  -4.080  -9.138 1.00 . A A .  6 ARG HB3  1 1 
       1 112 1 1  6 ARG HD2  H  -3.473  -1.064  -6.493 1.00 . A A .  6 ARG HD2  1 1 
       1 113 1 1  6 ARG HD3  H  -2.323  -1.463  -7.769 1.00 . A A .  6 ARG HD3  1 1 
       1 114 1 1  6 ARG HE   H  -4.273  -0.216  -9.129 1.00 . A A .  6 ARG HE   1 1 
       1 115 1 1  6 ARG HG2  H  -4.746  -2.272  -8.811 1.00 . A A .  6 ARG HG2  1 1 
       1 116 1 1  6 ARG HG3  H  -4.869  -2.697  -7.103 1.00 . A A .  6 ARG HG3  1 1 
       1 117 1 1  6 ARG HH11 H  -2.542   0.620  -6.227 1.00 . A A .  6 ARG HH11 1 1 
       1 118 1 1  6 ARG HH12 H  -2.664   2.328  -6.490 1.00 . A A .  6 ARG HH12 1 1 
       1 119 1 1  6 ARG HH21 H  -4.441   2.031  -9.487 1.00 . A A .  6 ARG HH21 1 1 
       1 120 1 1  6 ARG HH22 H  -3.745   3.130  -8.344 1.00 . A A .  6 ARG HH22 1 1 
       1 121 1 1  6 ARG N    N  -2.695  -4.593  -5.951 1.00 . A A .  6 ARG N    1 1 
       1 122 1 1  6 ARG NE   N  -3.778  -0.075  -8.296 1.00 . A A .  6 ARG NE   1 1 
       1 123 1 1  6 ARG NH1  N  -2.856   1.390  -6.781 1.00 . A A .  6 ARG NH1  1 1 
       1 124 1 1  6 ARG NH2  N  -3.937   2.194  -8.639 1.00 . A A .  6 ARG NH2  1 1 
       1 125 1 1  6 ARG O    O  -4.028  -6.751  -8.466 1.00 . A A .  6 ARG O    1 1 
       1 126 1 1  7 LYS C    C  -2.064  -9.095  -7.222 1.00 . A A .  7 LYS C    1 1 
       1 127 1 1  7 LYS CA   C  -1.554  -7.937  -8.075 1.00 . A A .  7 LYS CA   1 1 
       1 128 1 1  7 LYS CB   C  -0.027  -7.988  -8.163 1.00 . A A .  7 LYS CB   1 1 
       1 129 1 1  7 LYS CD   C   0.014  -9.205 -10.360 1.00 . A A .  7 LYS CD   1 1 
       1 130 1 1  7 LYS CE   C   0.443  -7.949 -11.101 1.00 . A A .  7 LYS CE   1 1 
       1 131 1 1  7 LYS CG   C   0.498  -9.196  -8.920 1.00 . A A .  7 LYS CG   1 1 
       1 132 1 1  7 LYS H    H  -1.369  -6.146  -6.963 1.00 . A A .  7 LYS H    1 1 
       1 133 1 1  7 LYS HA   H  -1.967  -8.029  -9.068 1.00 . A A .  7 LYS HA   1 1 
       1 134 1 1  7 LYS HB2  H   0.322  -7.096  -8.662 1.00 . A A .  7 LYS HB2  1 1 
       1 135 1 1  7 LYS HB3  H   0.378  -8.013  -7.162 1.00 . A A .  7 LYS HB3  1 1 
       1 136 1 1  7 LYS HD2  H   0.428 -10.066 -10.864 1.00 . A A .  7 LYS HD2  1 1 
       1 137 1 1  7 LYS HD3  H  -1.066  -9.266 -10.367 1.00 . A A .  7 LYS HD3  1 1 
       1 138 1 1  7 LYS HE2  H   0.097  -7.087 -10.552 1.00 . A A .  7 LYS HE2  1 1 
       1 139 1 1  7 LYS HE3  H   1.521  -7.930 -11.157 1.00 . A A .  7 LYS HE3  1 1 
       1 140 1 1  7 LYS HG2  H   1.578  -9.170  -8.915 1.00 . A A .  7 LYS HG2  1 1 
       1 141 1 1  7 LYS HG3  H   0.155 -10.095  -8.428 1.00 . A A .  7 LYS HG3  1 1 
       1 142 1 1  7 LYS HZ1  H  -0.421  -8.849 -12.776 1.00 . A A .  7 LYS HZ1  1 1 
       1 143 1 1  7 LYS HZ2  H   0.607  -7.557 -13.146 1.00 . A A .  7 LYS HZ2  1 1 
       1 144 1 1  7 LYS HZ3  H  -0.933  -7.259 -12.513 1.00 . A A .  7 LYS HZ3  1 1 
       1 145 1 1  7 LYS N    N  -1.987  -6.658  -7.526 1.00 . A A .  7 LYS N    1 1 
       1 146 1 1  7 LYS NZ   N  -0.115  -7.900 -12.481 1.00 . A A .  7 LYS NZ   1 1 
       1 147 1 1  7 LYS O    O  -2.387 -10.164  -7.739 1.00 . A A .  7 LYS O    1 1 
       1 148 1 1  8 ALA C    C  -4.035 -10.317  -5.321 1.00 . A A .  8 ALA C    1 1 
       1 149 1 1  8 ALA CA   C  -2.607  -9.897  -4.990 1.00 . A A .  8 ALA CA   1 1 
       1 150 1 1  8 ALA CB   C  -2.521  -9.395  -3.556 1.00 . A A .  8 ALA CB   1 1 
       1 151 1 1  8 ALA H    H  -1.861  -8.001  -5.561 1.00 . A A .  8 ALA H    1 1 
       1 152 1 1  8 ALA HA   H  -1.959 -10.757  -5.083 1.00 . A A .  8 ALA HA   1 1 
       1 153 1 1  8 ALA HB1  H  -3.180  -9.980  -2.931 1.00 . A A .  8 ALA HB1  1 1 
       1 154 1 1  8 ALA HB2  H  -1.506  -9.492  -3.201 1.00 . A A .  8 ALA HB2  1 1 
       1 155 1 1  8 ALA HB3  H  -2.818  -8.358  -3.520 1.00 . A A .  8 ALA HB3  1 1 
       1 156 1 1  8 ALA N    N  -2.133  -8.874  -5.913 1.00 . A A .  8 ALA N    1 1 
       1 157 1 1  8 ALA O    O  -4.496 -11.375  -4.892 1.00 . A A .  8 ALA O    1 1 
       1 158 1 1  9 ALA C    C  -6.224  -9.942  -7.985 1.00 . A A .  9 ALA C    1 1 
       1 159 1 1  9 ALA CA   C  -6.106  -9.767  -6.474 1.00 . A A .  9 ALA CA   1 1 
       1 160 1 1  9 ALA CB   C  -7.031  -8.659  -5.995 1.00 . A A .  9 ALA CB   1 1 
       1 161 1 1  9 ALA H    H  -4.308  -8.654  -6.396 1.00 . A A .  9 ALA H    1 1 
       1 162 1 1  9 ALA HA   H  -6.405 -10.687  -5.991 1.00 . A A .  9 ALA HA   1 1 
       1 163 1 1  9 ALA HB1  H  -7.248  -8.801  -4.946 1.00 . A A .  9 ALA HB1  1 1 
       1 164 1 1  9 ALA HB2  H  -6.550  -7.702  -6.137 1.00 . A A .  9 ALA HB2  1 1 
       1 165 1 1  9 ALA HB3  H  -7.950  -8.688  -6.561 1.00 . A A .  9 ALA HB3  1 1 
       1 166 1 1  9 ALA N    N  -4.730  -9.482  -6.085 1.00 . A A .  9 ALA N    1 1 
       1 167 1 1  9 ALA O    O  -7.322 -10.111  -8.516 1.00 . A A .  9 ALA O    1 1 
       1 168 1 1 10 LEU C    C  -4.588 -11.447 -10.514 1.00 . A A . 10 LEU C    1 1 
       1 169 1 1 10 LEU CA   C  -5.063 -10.052 -10.122 1.00 . A A . 10 LEU CA   1 1 
       1 170 1 1 10 LEU CB   C  -4.154  -8.995 -10.751 1.00 . A A . 10 LEU CB   1 1 
       1 171 1 1 10 LEU CD1  C  -6.048  -7.366 -10.955 1.00 . A A . 10 LEU CD1  1 1 
       1 172 1 1 10 LEU CD2  C  -3.861  -6.882 -12.067 1.00 . A A . 10 LEU CD2  1 1 
       1 173 1 1 10 LEU CG   C  -4.841  -7.970 -11.654 1.00 . A A . 10 LEU CG   1 1 
       1 174 1 1 10 LEU H    H  -4.244  -9.761  -8.192 1.00 . A A . 10 LEU H    1 1 
       1 175 1 1 10 LEU HA   H  -6.070  -9.912 -10.486 1.00 . A A . 10 LEU HA   1 1 
       1 176 1 1 10 LEU HB2  H  -3.669  -8.457  -9.950 1.00 . A A . 10 LEU HB2  1 1 
       1 177 1 1 10 LEU HB3  H  -3.408  -9.510 -11.339 1.00 . A A . 10 LEU HB3  1 1 
       1 178 1 1 10 LEU HD11 H  -5.808  -7.180  -9.919 1.00 . A A . 10 LEU HD11 1 1 
       1 179 1 1 10 LEU HD12 H  -6.879  -8.053 -11.014 1.00 . A A . 10 LEU HD12 1 1 
       1 180 1 1 10 LEU HD13 H  -6.315  -6.437 -11.436 1.00 . A A . 10 LEU HD13 1 1 
       1 181 1 1 10 LEU HD21 H  -3.096  -6.780 -11.311 1.00 . A A . 10 LEU HD21 1 1 
       1 182 1 1 10 LEU HD22 H  -4.388  -5.945 -12.174 1.00 . A A . 10 LEU HD22 1 1 
       1 183 1 1 10 LEU HD23 H  -3.404  -7.147 -13.009 1.00 . A A . 10 LEU HD23 1 1 
       1 184 1 1 10 LEU HG   H  -5.188  -8.466 -12.551 1.00 . A A . 10 LEU HG   1 1 
       1 185 1 1 10 LEU N    N  -5.087  -9.899  -8.671 1.00 . A A . 10 LEU N    1 1 
       1 186 1 1 10 LEU O    O  -5.312 -12.200 -11.166 1.00 . A A . 10 LEU O    1 1 
       1 187 1 1 11 VAL C    C  -3.286 -14.150  -9.436 1.00 . A A . 11 VAL C    1 1 
       1 188 1 1 11 VAL CA   C  -2.797 -13.092 -10.418 1.00 . A A . 11 VAL CA   1 1 
       1 189 1 1 11 VAL CB   C  -1.257 -13.053 -10.389 1.00 . A A . 11 VAL CB   1 1 
       1 190 1 1 11 VAL CG1  C  -0.721 -12.236 -11.555 1.00 . A A . 11 VAL CG1  1 1 
       1 191 1 1 11 VAL CG2  C  -0.764 -12.492  -9.063 1.00 . A A . 11 VAL CG2  1 1 
       1 192 1 1 11 VAL H    H  -2.839 -11.143  -9.595 1.00 . A A . 11 VAL H    1 1 
       1 193 1 1 11 VAL HA   H  -3.110 -13.368 -11.415 1.00 . A A . 11 VAL HA   1 1 
       1 194 1 1 11 VAL HB   H  -0.889 -14.063 -10.487 1.00 . A A . 11 VAL HB   1 1 
       1 195 1 1 11 VAL HG11 H  -1.300 -11.329 -11.654 1.00 . A A . 11 VAL HG11 1 1 
       1 196 1 1 11 VAL HG12 H   0.314 -11.986 -11.374 1.00 . A A . 11 VAL HG12 1 1 
       1 197 1 1 11 VAL HG13 H  -0.800 -12.813 -12.464 1.00 . A A . 11 VAL HG13 1 1 
       1 198 1 1 11 VAL HG21 H  -1.216 -13.040  -8.250 1.00 . A A . 11 VAL HG21 1 1 
       1 199 1 1 11 VAL HG22 H   0.310 -12.587  -9.010 1.00 . A A . 11 VAL HG22 1 1 
       1 200 1 1 11 VAL HG23 H  -1.037 -11.449  -8.989 1.00 . A A . 11 VAL HG23 1 1 
       1 201 1 1 11 VAL N    N  -3.368 -11.786 -10.111 1.00 . A A . 11 VAL N    1 1 
       1 202 1 1 11 VAL O    O  -3.362 -15.334  -9.768 1.00 . A A . 11 VAL O    1 1 
       1 203 1 1 12 LEU C    C  -5.590 -14.906  -7.366 1.00 . A A . 12 LEU C    1 1 
       1 204 1 1 12 LEU CA   C  -4.101 -14.627  -7.192 1.00 . A A . 12 LEU CA   1 1 
       1 205 1 1 12 LEU CB   C  -3.839 -14.040  -5.804 1.00 . A A . 12 LEU CB   1 1 
       1 206 1 1 12 LEU CD1  C  -2.290 -14.403  -3.867 1.00 . A A . 12 LEU CD1  1 1 
       1 207 1 1 12 LEU CD2  C  -4.546 -15.483  -3.880 1.00 . A A . 12 LEU CD2  1 1 
       1 208 1 1 12 LEU CG   C  -3.372 -15.028  -4.734 1.00 . A A . 12 LEU CG   1 1 
       1 209 1 1 12 LEU H    H  -3.536 -12.762  -8.019 1.00 . A A . 12 LEU H    1 1 
       1 210 1 1 12 LEU HA   H  -3.559 -15.556  -7.289 1.00 . A A . 12 LEU HA   1 1 
       1 211 1 1 12 LEU HB2  H  -3.081 -13.279  -5.904 1.00 . A A . 12 LEU HB2  1 1 
       1 212 1 1 12 LEU HB3  H  -4.758 -13.586  -5.459 1.00 . A A . 12 LEU HB3  1 1 
       1 213 1 1 12 LEU HD11 H  -1.534 -15.142  -3.647 1.00 . A A . 12 LEU HD11 1 1 
       1 214 1 1 12 LEU HD12 H  -2.727 -14.050  -2.945 1.00 . A A . 12 LEU HD12 1 1 
       1 215 1 1 12 LEU HD13 H  -1.841 -13.574  -4.394 1.00 . A A . 12 LEU HD13 1 1 
       1 216 1 1 12 LEU HD21 H  -4.275 -15.425  -2.836 1.00 . A A . 12 LEU HD21 1 1 
       1 217 1 1 12 LEU HD22 H  -4.800 -16.502  -4.131 1.00 . A A . 12 LEU HD22 1 1 
       1 218 1 1 12 LEU HD23 H  -5.397 -14.844  -4.068 1.00 . A A . 12 LEU HD23 1 1 
       1 219 1 1 12 LEU HG   H  -2.951 -15.899  -5.217 1.00 . A A . 12 LEU HG   1 1 
       1 220 1 1 12 LEU N    N  -3.617 -13.717  -8.225 1.00 . A A . 12 LEU N    1 1 
       1 221 1 1 12 LEU O    O  -6.143 -15.800  -6.727 1.00 . A A . 12 LEU O    1 1 
       1 222 1 1 13 ASN C    C  -7.908 -14.661  -9.958 1.00 . A A . 13 ASN C    1 1 
       1 223 1 1 13 ASN CA   C  -7.659 -14.301  -8.497 1.00 . A A . 13 ASN CA   1 1 
       1 224 1 1 13 ASN CB   C  -8.416 -13.021  -8.139 1.00 . A A . 13 ASN CB   1 1 
       1 225 1 1 13 ASN CG   C  -9.309 -13.196  -6.927 1.00 . A A . 13 ASN CG   1 1 
       1 226 1 1 13 ASN H    H  -5.739 -13.439  -8.716 1.00 . A A . 13 ASN H    1 1 
       1 227 1 1 13 ASN HA   H  -8.018 -15.107  -7.874 1.00 . A A . 13 ASN HA   1 1 
       1 228 1 1 13 ASN HB2  H  -7.704 -12.236  -7.927 1.00 . A A . 13 ASN HB2  1 1 
       1 229 1 1 13 ASN HB3  H  -9.030 -12.727  -8.977 1.00 . A A . 13 ASN HB3  1 1 
       1 230 1 1 13 ASN HD21 H  -8.921 -11.336  -6.341 1.00 . A A . 13 ASN HD21 1 1 
       1 231 1 1 13 ASN HD22 H  -9.987 -12.237  -5.323 1.00 . A A . 13 ASN HD22 1 1 
       1 232 1 1 13 ASN N    N  -6.234 -14.136  -8.237 1.00 . A A . 13 ASN N    1 1 
       1 233 1 1 13 ASN ND2  N  -9.417 -12.151  -6.115 1.00 . A A . 13 ASN ND2  1 1 
       1 234 1 1 13 ASN O    O  -8.353 -15.766 -10.269 1.00 . A A . 13 ASN O    1 1 
       1 235 1 1 13 ASN OD1  O  -9.896 -14.259  -6.722 1.00 . A A . 13 ASN OD1  1 1 
       1 236 1 1 14 ALA C    C  -7.127 -15.229 -12.733 1.00 . A A . 14 ALA C    1 1 
       1 237 1 1 14 ALA CA   C  -7.805 -13.940 -12.280 1.00 . A A . 14 ALA CA   1 1 
       1 238 1 1 14 ALA CB   C  -7.271 -12.755 -13.070 1.00 . A A . 14 ALA CB   1 1 
       1 239 1 1 14 ALA H    H  -7.264 -12.861 -10.542 1.00 . A A . 14 ALA H    1 1 
       1 240 1 1 14 ALA HA   H  -8.866 -14.018 -12.468 1.00 . A A . 14 ALA HA   1 1 
       1 241 1 1 14 ALA HB1  H  -7.513 -11.839 -12.551 1.00 . A A . 14 ALA HB1  1 1 
       1 242 1 1 14 ALA HB2  H  -6.200 -12.841 -13.169 1.00 . A A . 14 ALA HB2  1 1 
       1 243 1 1 14 ALA HB3  H  -7.724 -12.743 -14.051 1.00 . A A . 14 ALA HB3  1 1 
       1 244 1 1 14 ALA N    N  -7.616 -13.721 -10.851 1.00 . A A . 14 ALA N    1 1 
       1 245 1 1 14 ALA O    O  -7.755 -16.088 -13.350 1.00 . A A . 14 ALA O    1 1 
       1 246 1 1 15 SER C    C  -5.133 -17.596 -11.704 1.00 . A A . 15 SER C    1 1 
       1 247 1 1 15 SER CA   C  -5.076 -16.538 -12.801 1.00 . A A . 15 SER CA   1 1 
       1 248 1 1 15 SER CB   C  -3.621 -16.160 -13.086 1.00 . A A . 15 SER CB   1 1 
       1 249 1 1 15 SER H    H  -5.395 -14.635 -11.928 1.00 . A A . 15 SER H    1 1 
       1 250 1 1 15 SER HA   H  -5.516 -16.943 -13.700 1.00 . A A . 15 SER HA   1 1 
       1 251 1 1 15 SER HB2  H  -3.449 -15.140 -12.778 1.00 . A A . 15 SER HB2  1 1 
       1 252 1 1 15 SER HB3  H  -2.966 -16.819 -12.534 1.00 . A A . 15 SER HB3  1 1 
       1 253 1 1 15 SER HG   H  -2.394 -16.095 -14.612 1.00 . A A . 15 SER HG   1 1 
       1 254 1 1 15 SER N    N  -5.841 -15.355 -12.422 1.00 . A A . 15 SER N    1 1 
       1 255 1 1 15 SER O    O  -4.495 -18.645 -11.804 1.00 . A A . 15 SER O    1 1 
       1 256 1 1 15 SER OG   O  -3.326 -16.275 -14.468 1.00 . A A . 15 SER OG   1 1 
       1 257 1 1 16 ARG C    C  -6.434 -19.629 -10.031 1.00 . A A . 16 ARG C    1 1 
       1 258 1 1 16 ARG CA   C  -6.040 -18.240  -9.540 1.00 . A A . 16 ARG CA   1 1 
       1 259 1 1 16 ARG CB   C  -7.085 -17.723  -8.549 1.00 . A A . 16 ARG CB   1 1 
       1 260 1 1 16 ARG CD   C  -8.802 -19.486  -8.042 1.00 . A A . 16 ARG CD   1 1 
       1 261 1 1 16 ARG CG   C  -8.492 -18.224  -8.831 1.00 . A A . 16 ARG CG   1 1 
       1 262 1 1 16 ARG CZ   C -10.716 -20.367  -6.775 1.00 . A A . 16 ARG CZ   1 1 
       1 263 1 1 16 ARG H    H  -6.384 -16.461 -10.634 1.00 . A A . 16 ARG H    1 1 
       1 264 1 1 16 ARG HA   H  -5.085 -18.304  -9.041 1.00 . A A . 16 ARG HA   1 1 
       1 265 1 1 16 ARG HB2  H  -6.807 -18.038  -7.553 1.00 . A A . 16 ARG HB2  1 1 
       1 266 1 1 16 ARG HB3  H  -7.096 -16.644  -8.586 1.00 . A A . 16 ARG HB3  1 1 
       1 267 1 1 16 ARG HD2  H  -8.947 -20.301  -8.735 1.00 . A A . 16 ARG HD2  1 1 
       1 268 1 1 16 ARG HD3  H  -7.964 -19.707  -7.398 1.00 . A A . 16 ARG HD3  1 1 
       1 269 1 1 16 ARG HE   H -10.292 -18.431  -7.000 1.00 . A A . 16 ARG HE   1 1 
       1 270 1 1 16 ARG HG2  H  -9.200 -17.457  -8.553 1.00 . A A . 16 ARG HG2  1 1 
       1 271 1 1 16 ARG HG3  H  -8.584 -18.437  -9.885 1.00 . A A . 16 ARG HG3  1 1 
       1 272 1 1 16 ARG HH11 H  -9.536 -21.773  -7.618 1.00 . A A . 16 ARG HH11 1 1 
       1 273 1 1 16 ARG HH12 H -10.889 -22.380  -6.723 1.00 . A A . 16 ARG HH12 1 1 
       1 274 1 1 16 ARG HH21 H -12.076 -19.218  -5.818 1.00 . A A . 16 ARG HH21 1 1 
       1 275 1 1 16 ARG HH22 H -12.334 -20.926  -5.700 1.00 . A A . 16 ARG HH22 1 1 
       1 276 1 1 16 ARG N    N  -5.900 -17.313 -10.657 1.00 . A A . 16 ARG N    1 1 
       1 277 1 1 16 ARG NE   N -10.003 -19.340  -7.224 1.00 . A A . 16 ARG NE   1 1 
       1 278 1 1 16 ARG NH1  N -10.351 -21.608  -7.063 1.00 . A A . 16 ARG NH1  1 1 
       1 279 1 1 16 ARG NH2  N -11.798 -20.153  -6.037 1.00 . A A . 16 ARG NH2  1 1 
       1 280 1 1 16 ARG O    O  -6.184 -20.630  -9.359 1.00 . A A . 16 ARG O    1 1 
       1 281 1 1 17 ARG C    C  -6.736 -21.230 -13.091 1.00 . A A . 17 ARG C    1 1 
       1 282 1 1 17 ARG CA   C  -7.480 -20.949 -11.788 1.00 . A A . 17 ARG CA   1 1 
       1 283 1 1 17 ARG CB   C  -8.988 -20.932 -12.043 1.00 . A A . 17 ARG CB   1 1 
       1 284 1 1 17 ARG CD   C -10.930 -19.869 -13.234 1.00 . A A . 17 ARG CD   1 1 
       1 285 1 1 17 ARG CG   C  -9.416 -19.925 -13.099 1.00 . A A . 17 ARG CG   1 1 
       1 286 1 1 17 ARG CZ   C -12.716 -21.284 -14.156 1.00 . A A . 17 ARG CZ   1 1 
       1 287 1 1 17 ARG H    H  -7.221 -18.850 -11.696 1.00 . A A . 17 ARG H    1 1 
       1 288 1 1 17 ARG HA   H  -7.252 -21.732 -11.082 1.00 . A A . 17 ARG HA   1 1 
       1 289 1 1 17 ARG HB2  H  -9.298 -21.914 -12.368 1.00 . A A . 17 ARG HB2  1 1 
       1 290 1 1 17 ARG HB3  H  -9.494 -20.690 -11.121 1.00 . A A . 17 ARG HB3  1 1 
       1 291 1 1 17 ARG HD2  H -11.354 -19.606 -12.276 1.00 . A A . 17 ARG HD2  1 1 
       1 292 1 1 17 ARG HD3  H -11.185 -19.111 -13.959 1.00 . A A . 17 ARG HD3  1 1 
       1 293 1 1 17 ARG HE   H -10.922 -21.941 -13.584 1.00 . A A . 17 ARG HE   1 1 
       1 294 1 1 17 ARG HG2  H  -9.054 -18.947 -12.819 1.00 . A A . 17 ARG HG2  1 1 
       1 295 1 1 17 ARG HG3  H  -8.989 -20.211 -14.049 1.00 . A A . 17 ARG HG3  1 1 
       1 296 1 1 17 ARG HH11 H -13.180 -19.324 -13.999 1.00 . A A . 17 ARG HH11 1 1 
       1 297 1 1 17 ARG HH12 H -14.430 -20.333 -14.648 1.00 . A A . 17 ARG HH12 1 1 
       1 298 1 1 17 ARG HH21 H -12.560 -23.280 -14.437 1.00 . A A . 17 ARG HH21 1 1 
       1 299 1 1 17 ARG HH22 H -14.077 -22.583 -14.896 1.00 . A A . 17 ARG HH22 1 1 
       1 300 1 1 17 ARG N    N  -7.050 -19.682 -11.208 1.00 . A A . 17 ARG N    1 1 
       1 301 1 1 17 ARG NE   N -11.489 -21.147 -13.665 1.00 . A A . 17 ARG NE   1 1 
       1 302 1 1 17 ARG NH1  N -13.507 -20.227 -14.277 1.00 . A A . 17 ARG NH1  1 1 
       1 303 1 1 17 ARG NH2  N -13.154 -22.480 -14.527 1.00 . A A . 17 ARG NH2  1 1 
       1 304 1 1 17 ARG O    O  -7.304 -21.777 -14.037 1.00 . A A . 17 ARG O    1 1 
       1 305 1 1 18 PHE C    C  -3.903 -22.393 -14.241 1.00 . A A . 18 PHE C    1 1 
       1 306 1 1 18 PHE CA   C  -4.642 -21.060 -14.319 1.00 . A A . 18 PHE CA   1 1 
       1 307 1 1 18 PHE CB   C  -3.638 -19.916 -14.479 1.00 . A A . 18 PHE CB   1 1 
       1 308 1 1 18 PHE CD1  C  -2.337 -20.565 -16.524 1.00 . A A . 18 PHE CD1  1 1 
       1 309 1 1 18 PHE CD2  C  -3.681 -18.598 -16.614 1.00 . A A . 18 PHE CD2  1 1 
       1 310 1 1 18 PHE CE1  C  -1.941 -20.359 -17.832 1.00 . A A . 18 PHE CE1  1 1 
       1 311 1 1 18 PHE CE2  C  -3.290 -18.387 -17.922 1.00 . A A . 18 PHE CE2  1 1 
       1 312 1 1 18 PHE CG   C  -3.210 -19.689 -15.901 1.00 . A A . 18 PHE CG   1 1 
       1 313 1 1 18 PHE CZ   C  -2.418 -19.268 -18.532 1.00 . A A . 18 PHE CZ   1 1 
       1 314 1 1 18 PHE H    H  -5.067 -20.419 -12.347 1.00 . A A . 18 PHE H    1 1 
       1 315 1 1 18 PHE HA   H  -5.297 -21.075 -15.177 1.00 . A A . 18 PHE HA   1 1 
       1 316 1 1 18 PHE HB2  H  -4.084 -19.002 -14.117 1.00 . A A . 18 PHE HB2  1 1 
       1 317 1 1 18 PHE HB3  H  -2.757 -20.137 -13.897 1.00 . A A . 18 PHE HB3  1 1 
       1 318 1 1 18 PHE HD1  H  -1.963 -21.420 -15.977 1.00 . A A . 18 PHE HD1  1 1 
       1 319 1 1 18 PHE HD2  H  -4.362 -17.908 -16.138 1.00 . A A . 18 PHE HD2  1 1 
       1 320 1 1 18 PHE HE1  H  -1.259 -21.050 -18.306 1.00 . A A . 18 PHE HE1  1 1 
       1 321 1 1 18 PHE HE2  H  -3.663 -17.533 -18.467 1.00 . A A . 18 PHE HE2  1 1 
       1 322 1 1 18 PHE HZ   H  -2.111 -19.105 -19.554 1.00 . A A . 18 PHE HZ   1 1 
       1 323 1 1 18 PHE N    N  -5.463 -20.851 -13.133 1.00 . A A . 18 PHE N    1 1 
       1 324 1 1 18 PHE O    O  -3.515 -22.960 -15.262 1.00 . A A . 18 PHE O    1 1 
       1 325 1 1 19 ARG C    C  -3.875 -25.325 -13.274 1.00 . A A . 19 ARG C    1 1 
       1 326 1 1 19 ARG CA   C  -3.019 -24.151 -12.809 1.00 . A A . 19 ARG CA   1 1 
       1 327 1 1 19 ARG CB   C  -2.663 -24.319 -11.331 1.00 . A A . 19 ARG CB   1 1 
       1 328 1 1 19 ARG CD   C  -1.301 -23.518  -9.377 1.00 . A A . 19 ARG CD   1 1 
       1 329 1 1 19 ARG CG   C  -1.493 -23.457 -10.884 1.00 . A A . 19 ARG CG   1 1 
       1 330 1 1 19 ARG CZ   C  -2.077 -22.296  -7.390 1.00 . A A . 19 ARG CZ   1 1 
       1 331 1 1 19 ARG H    H  -4.046 -22.388 -12.247 1.00 . A A . 19 ARG H    1 1 
       1 332 1 1 19 ARG HA   H  -2.109 -24.132 -13.390 1.00 . A A . 19 ARG HA   1 1 
       1 333 1 1 19 ARG HB2  H  -3.523 -24.058 -10.733 1.00 . A A . 19 ARG HB2  1 1 
       1 334 1 1 19 ARG HB3  H  -2.410 -25.353 -11.150 1.00 . A A . 19 ARG HB3  1 1 
       1 335 1 1 19 ARG HD2  H  -1.484 -24.528  -9.044 1.00 . A A . 19 ARG HD2  1 1 
       1 336 1 1 19 ARG HD3  H  -0.282 -23.243  -9.147 1.00 . A A . 19 ARG HD3  1 1 
       1 337 1 1 19 ARG HE   H  -2.949 -22.229  -9.182 1.00 . A A . 19 ARG HE   1 1 
       1 338 1 1 19 ARG HG2  H  -0.593 -23.810 -11.366 1.00 . A A . 19 ARG HG2  1 1 
       1 339 1 1 19 ARG HG3  H  -1.682 -22.434 -11.174 1.00 . A A . 19 ARG HG3  1 1 
       1 340 1 1 19 ARG HH11 H  -0.428 -23.428  -7.102 1.00 . A A . 19 ARG HH11 1 1 
       1 341 1 1 19 ARG HH12 H  -0.985 -22.561  -5.709 1.00 . A A . 19 ARG HH12 1 1 
       1 342 1 1 19 ARG HH21 H  -3.693 -21.083  -7.355 1.00 . A A . 19 ARG HH21 1 1 
       1 343 1 1 19 ARG HH22 H  -2.843 -21.228  -5.854 1.00 . A A . 19 ARG HH22 1 1 
       1 344 1 1 19 ARG N    N  -3.713 -22.886 -13.022 1.00 . A A . 19 ARG N    1 1 
       1 345 1 1 19 ARG NE   N  -2.207 -22.615  -8.673 1.00 . A A . 19 ARG NE   1 1 
       1 346 1 1 19 ARG NH1  N  -1.082 -22.804  -6.675 1.00 . A A . 19 ARG NH1  1 1 
       1 347 1 1 19 ARG NH2  N  -2.942 -21.468  -6.819 1.00 . A A . 19 ARG NH2  1 1 
       1 348 1 1 19 ARG O    O  -3.365 -26.294 -13.838 1.00 . A A . 19 ARG O    1 1 
       1 349 1 1 20 TYR C    C  -6.293 -26.314 -14.939 1.00 . A A . 20 TYR C    1 1 
       1 350 1 1 20 TYR CA   C  -6.105 -26.288 -13.425 1.00 . A A . 20 TYR CA   1 1 
       1 351 1 1 20 TYR CB   C  -7.456 -26.092 -12.735 1.00 . A A . 20 TYR CB   1 1 
       1 352 1 1 20 TYR CD1  C  -6.977 -26.514 -10.291 1.00 . A A . 20 TYR CD1  1 1 
       1 353 1 1 20 TYR CD2  C  -7.595 -24.308 -10.952 1.00 . A A . 20 TYR CD2  1 1 
       1 354 1 1 20 TYR CE1  C  -6.872 -26.096  -8.979 1.00 . A A . 20 TYR CE1  1 1 
       1 355 1 1 20 TYR CE2  C  -7.490 -23.882  -9.642 1.00 . A A . 20 TYR CE2  1 1 
       1 356 1 1 20 TYR CG   C  -7.341 -25.630 -11.300 1.00 . A A . 20 TYR CG   1 1 
       1 357 1 1 20 TYR CZ   C  -7.129 -24.779  -8.659 1.00 . A A . 20 TYR CZ   1 1 
       1 358 1 1 20 TYR H    H  -5.526 -24.436 -12.581 1.00 . A A . 20 TYR H    1 1 
       1 359 1 1 20 TYR HA   H  -5.685 -27.232 -13.110 1.00 . A A . 20 TYR HA   1 1 
       1 360 1 1 20 TYR HB2  H  -8.024 -25.352 -13.276 1.00 . A A . 20 TYR HB2  1 1 
       1 361 1 1 20 TYR HB3  H  -7.994 -27.028 -12.740 1.00 . A A . 20 TYR HB3  1 1 
       1 362 1 1 20 TYR HD1  H  -6.776 -27.545 -10.545 1.00 . A A . 20 TYR HD1  1 1 
       1 363 1 1 20 TYR HD2  H  -7.877 -23.608 -11.724 1.00 . A A . 20 TYR HD2  1 1 
       1 364 1 1 20 TYR HE1  H  -6.589 -26.799  -8.209 1.00 . A A . 20 TYR HE1  1 1 
       1 365 1 1 20 TYR HE2  H  -7.692 -22.850  -9.392 1.00 . A A . 20 TYR HE2  1 1 
       1 366 1 1 20 TYR HH   H  -7.700 -23.701  -7.173 1.00 . A A . 20 TYR HH   1 1 
       1 367 1 1 20 TYR N    N  -5.178 -25.233 -13.034 1.00 . A A . 20 TYR N    1 1 
       1 368 1 1 20 TYR O    O  -6.210 -27.369 -15.569 1.00 . A A . 20 TYR O    1 1 
       1 369 1 1 20 TYR OH   O  -7.024 -24.359  -7.353 1.00 . A A . 20 TYR OH   1 1 
       1 370 1 1 21 THR C    C  -5.476 -25.379 -17.718 1.00 . A A . 21 THR C    1 1 
       1 371 1 1 21 THR CA   C  -6.750 -25.031 -16.956 1.00 . A A . 21 THR CA   1 1 
       1 372 1 1 21 THR CB   C  -7.199 -23.611 -17.350 1.00 . A A . 21 THR CB   1 1 
       1 373 1 1 21 THR CG2  C  -6.079 -22.607 -17.124 1.00 . A A . 21 THR CG2  1 1 
       1 374 1 1 21 THR H    H  -6.603 -24.339 -14.961 1.00 . A A . 21 THR H    1 1 
       1 375 1 1 21 THR HA   H  -7.528 -25.724 -17.239 1.00 . A A . 21 THR HA   1 1 
       1 376 1 1 21 THR HB   H  -8.042 -23.333 -16.734 1.00 . A A . 21 THR HB   1 1 
       1 377 1 1 21 THR HG1  H  -8.453 -24.015 -18.818 1.00 . A A . 21 THR HG1  1 1 
       1 378 1 1 21 THR HG21 H  -5.337 -22.716 -17.900 1.00 . A A . 21 THR HG21 1 1 
       1 379 1 1 21 THR HG22 H  -5.623 -22.787 -16.162 1.00 . A A . 21 THR HG22 1 1 
       1 380 1 1 21 THR HG23 H  -6.483 -21.606 -17.150 1.00 . A A . 21 THR HG23 1 1 
       1 381 1 1 21 THR N    N  -6.548 -25.144 -15.517 1.00 . A A . 21 THR N    1 1 
       1 382 1 1 21 THR O    O  -5.529 -25.813 -18.870 1.00 . A A . 21 THR O    1 1 
       1 383 1 1 21 THR OG1  O  -7.598 -23.588 -18.725 1.00 . A A . 21 THR OG1  1 1 
       1 384 1 1 22 LEU C    C  -2.706 -26.962 -17.561 1.00 . A A . 22 LEU C    1 1 
       1 385 1 1 22 LEU CA   C  -3.044 -25.480 -17.687 1.00 . A A . 22 LEU CA   1 1 
       1 386 1 1 22 LEU CB   C  -1.943 -24.637 -17.041 1.00 . A A . 22 LEU CB   1 1 
       1 387 1 1 22 LEU CD1  C   0.084 -23.681 -18.164 1.00 . A A . 22 LEU CD1  1 1 
       1 388 1 1 22 LEU CD2  C   0.348 -25.389 -16.356 1.00 . A A . 22 LEU CD2  1 1 
       1 389 1 1 22 LEU CG   C  -0.517 -24.919 -17.516 1.00 . A A . 22 LEU CG   1 1 
       1 390 1 1 22 LEU H    H  -4.355 -24.838 -16.154 1.00 . A A . 22 LEU H    1 1 
       1 391 1 1 22 LEU HA   H  -3.113 -25.227 -18.734 1.00 . A A . 22 LEU HA   1 1 
       1 392 1 1 22 LEU HB2  H  -2.160 -23.600 -17.243 1.00 . A A . 22 LEU HB2  1 1 
       1 393 1 1 22 LEU HB3  H  -1.978 -24.810 -15.975 1.00 . A A . 22 LEU HB3  1 1 
       1 394 1 1 22 LEU HD11 H   1.129 -23.609 -17.902 1.00 . A A . 22 LEU HD11 1 1 
       1 395 1 1 22 LEU HD12 H  -0.437 -22.802 -17.813 1.00 . A A . 22 LEU HD12 1 1 
       1 396 1 1 22 LEU HD13 H  -0.015 -23.752 -19.237 1.00 . A A . 22 LEU HD13 1 1 
       1 397 1 1 22 LEU HD21 H   0.416 -26.467 -16.372 1.00 . A A . 22 LEU HD21 1 1 
       1 398 1 1 22 LEU HD22 H  -0.094 -25.069 -15.425 1.00 . A A . 22 LEU HD22 1 1 
       1 399 1 1 22 LEU HD23 H   1.337 -24.964 -16.449 1.00 . A A . 22 LEU HD23 1 1 
       1 400 1 1 22 LEU HG   H  -0.540 -25.705 -18.258 1.00 . A A . 22 LEU HG   1 1 
       1 401 1 1 22 LEU N    N  -4.333 -25.186 -17.070 1.00 . A A . 22 LEU N    1 1 
       1 402 1 1 22 LEU O    O  -2.123 -27.555 -18.469 1.00 . A A . 22 LEU O    1 1 
       1 403 1 1 23 ASP C    C  -3.788 -29.844 -16.973 1.00 . A A . 23 ASP C    1 1 
       1 404 1 1 23 ASP CA   C  -2.816 -28.968 -16.188 1.00 . A A . 23 ASP CA   1 1 
       1 405 1 1 23 ASP CB   C  -2.923 -29.279 -14.694 1.00 . A A . 23 ASP CB   1 1 
       1 406 1 1 23 ASP CG   C  -2.259 -30.591 -14.326 1.00 . A A . 23 ASP CG   1 1 
       1 407 1 1 23 ASP H    H  -3.539 -27.028 -15.745 1.00 . A A . 23 ASP H    1 1 
       1 408 1 1 23 ASP HA   H  -1.811 -29.182 -16.519 1.00 . A A . 23 ASP HA   1 1 
       1 409 1 1 23 ASP HB2  H  -2.448 -28.486 -14.133 1.00 . A A . 23 ASP HB2  1 1 
       1 410 1 1 23 ASP HB3  H  -3.966 -29.334 -14.418 1.00 . A A . 23 ASP HB3  1 1 
       1 411 1 1 23 ASP N    N  -3.077 -27.554 -16.431 1.00 . A A . 23 ASP N    1 1 
       1 412 1 1 23 ASP O    O  -3.481 -30.990 -17.302 1.00 . A A . 23 ASP O    1 1 
       1 413 1 1 23 ASP OD1  O  -2.896 -31.650 -14.505 1.00 . A A . 23 ASP OD1  1 1 
       1 414 1 1 23 ASP OD2  O  -1.101 -30.558 -13.859 1.00 . A A . 23 ASP OD2  1 1 
       1 415 1 1 24 LEU C    C  -5.418 -30.557 -19.330 1.00 . A A . 24 LEU C    1 1 
       1 416 1 1 24 LEU CA   C  -5.980 -30.028 -18.015 1.00 . A A . 24 LEU CA   1 1 
       1 417 1 1 24 LEU CB   C  -7.185 -29.126 -18.289 1.00 . A A . 24 LEU CB   1 1 
       1 418 1 1 24 LEU CD1  C  -9.018 -30.178 -16.940 1.00 . A A . 24 LEU CD1  1 1 
       1 419 1 1 24 LEU CD2  C  -9.569 -28.940 -19.042 1.00 . A A . 24 LEU CD2  1 1 
       1 420 1 1 24 LEU CG   C  -8.546 -29.822 -18.341 1.00 . A A . 24 LEU CG   1 1 
       1 421 1 1 24 LEU H    H  -5.149 -28.379 -16.980 1.00 . A A . 24 LEU H    1 1 
       1 422 1 1 24 LEU HA   H  -6.297 -30.864 -17.410 1.00 . A A . 24 LEU HA   1 1 
       1 423 1 1 24 LEU HB2  H  -7.225 -28.381 -17.509 1.00 . A A . 24 LEU HB2  1 1 
       1 424 1 1 24 LEU HB3  H  -7.024 -28.640 -19.241 1.00 . A A . 24 LEU HB3  1 1 
       1 425 1 1 24 LEU HD11 H  -9.854 -29.551 -16.671 1.00 . A A . 24 LEU HD11 1 1 
       1 426 1 1 24 LEU HD12 H  -8.211 -30.023 -16.238 1.00 . A A . 24 LEU HD12 1 1 
       1 427 1 1 24 LEU HD13 H  -9.321 -31.215 -16.915 1.00 . A A . 24 LEU HD13 1 1 
       1 428 1 1 24 LEU HD21 H  -9.407 -28.979 -20.108 1.00 . A A . 24 LEU HD21 1 1 
       1 429 1 1 24 LEU HD22 H  -9.462 -27.922 -18.697 1.00 . A A . 24 LEU HD22 1 1 
       1 430 1 1 24 LEU HD23 H -10.565 -29.294 -18.815 1.00 . A A . 24 LEU HD23 1 1 
       1 431 1 1 24 LEU HG   H  -8.453 -30.740 -18.905 1.00 . A A . 24 LEU HG   1 1 
       1 432 1 1 24 LEU N    N  -4.962 -29.296 -17.269 1.00 . A A . 24 LEU N    1 1 
       1 433 1 1 24 LEU O    O  -5.862 -31.586 -19.839 1.00 . A A . 24 LEU O    1 1 
       1 434 1 1 25 LYS C    C  -3.345 -31.699 -21.068 1.00 . A A . 25 LYS C    1 1 
       1 435 1 1 25 LYS CA   C  -3.807 -30.247 -21.129 1.00 . A A . 25 LYS CA   1 1 
       1 436 1 1 25 LYS CB   C  -2.619 -29.335 -21.441 1.00 . A A . 25 LYS CB   1 1 
       1 437 1 1 25 LYS CD   C  -0.316 -28.563 -20.798 1.00 . A A . 25 LYS CD   1 1 
       1 438 1 1 25 LYS CE   C   1.017 -29.016 -20.222 1.00 . A A . 25 LYS CE   1 1 
       1 439 1 1 25 LYS CG   C  -1.402 -29.602 -20.572 1.00 . A A . 25 LYS CG   1 1 
       1 440 1 1 25 LYS H    H  -4.123 -29.036 -19.421 1.00 . A A . 25 LYS H    1 1 
       1 441 1 1 25 LYS HA   H  -4.542 -30.148 -21.914 1.00 . A A . 25 LYS HA   1 1 
       1 442 1 1 25 LYS HB2  H  -2.335 -29.474 -22.474 1.00 . A A . 25 LYS HB2  1 1 
       1 443 1 1 25 LYS HB3  H  -2.921 -28.307 -21.295 1.00 . A A . 25 LYS HB3  1 1 
       1 444 1 1 25 LYS HD2  H  -0.200 -28.402 -21.859 1.00 . A A . 25 LYS HD2  1 1 
       1 445 1 1 25 LYS HD3  H  -0.609 -27.639 -20.321 1.00 . A A . 25 LYS HD3  1 1 
       1 446 1 1 25 LYS HE2  H   1.144 -30.068 -20.428 1.00 . A A . 25 LYS HE2  1 1 
       1 447 1 1 25 LYS HE3  H   1.808 -28.457 -20.699 1.00 . A A . 25 LYS HE3  1 1 
       1 448 1 1 25 LYS HG2  H  -1.700 -29.575 -19.534 1.00 . A A . 25 LYS HG2  1 1 
       1 449 1 1 25 LYS HG3  H  -1.008 -30.579 -20.810 1.00 . A A . 25 LYS HG3  1 1 
       1 450 1 1 25 LYS HZ1  H   1.450 -27.845 -18.547 1.00 . A A . 25 LYS HZ1  1 1 
       1 451 1 1 25 LYS HZ2  H   1.722 -29.498 -18.316 1.00 . A A . 25 LYS HZ2  1 1 
       1 452 1 1 25 LYS HZ3  H   0.142 -28.895 -18.329 1.00 . A A . 25 LYS HZ3  1 1 
       1 453 1 1 25 LYS N    N  -4.435 -29.848 -19.875 1.00 . A A . 25 LYS N    1 1 
       1 454 1 1 25 LYS NZ   N   1.088 -28.798 -18.750 1.00 . A A . 25 LYS NZ   1 1 
       1 455 1 1 25 LYS O    O  -3.186 -32.265 -19.986 1.00 . A A . 25 LYS O    1 1 
    stop_

save_



Please acknowledge these references in publications where the data from this site have been utilized.

Contact the webmaster for help, if required. Friday, June 7, 2024 1:52:57 AM GMT (wattos1)