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
369334 1bbg 4211 cing 4-filtered-FRED STAR entry full 404


data_FRED_restraints_with_modified_coordinates_PDB_code_1bbg

# This FRED archive file contains, for PDB entry <1bbg>:
# 
# - Coordinates and sequence information from the PDB mmCIF file
# - NMR restraints from the PDB MR file
# 
# In this file, the coordinates and NMR restraints share the same atom names,
# and in this way can differ from the data deposited at the wwPDB. To achieve
# this aim, the NMR restraints were parsed from their original format files, and
# the coordinates and NMR restraints information were subsequently harmonized.
# 
# Due to the complexity of this harmonization process and the filtering process
# used in creating these files, the NMR restraints information in these files
# may differ significantly from that in the originally deposited file. Other 
# modifications could have occurred to the NMR restraints information, or data 
# could have been lost because of parsing or conversion errors. The PDB file 
# remains the authoritative reference for the atomic coordinates and the 
# originally deposited restraints files remain the primary reference for these 
# data.
# 
# This file is generated at the BioMagResBank (BMRB) in collaboration with the 
# PDBe (formerly MSD) group at the European Bioinformatics Institute (EBI) and 
# the CMBI/IMM group at the Radboud University of Nijmegen.
# 
# Several software packages were used to produce this file:
# 
# - Wattos (BMRB and CMBI/IMM).
# - FormatConverter and NMRStarExport (PDBe).
# - CCPN framework (http://www.ccpn.ac.uk/).
# 
# More information about this process can be found in the references below.
# Please cite the original reference for this PDB entry.
# 
# JF Doreleijers, A Nederveen, W Vranken, J Lin, AM Bonvin, R Kaptein, JL
# Markley, and EL Ulrich (2005). BioMagResBank databases DOCR and FRED
# containing converted and filtered sets of experimental NMR restraints and
# coordinates from over 500 protein PDB structures. J. Biomol. NMR 32, 1-12.
# 
# WF Vranken, W Boucher, TJ Stevens, RH Fogh, A Pajon, M Llinas, EL Ulrich, JL
# Markley, J Ionides, ED Laue (2005). The CCPN data model for NMR spectroscopy:
# development of a software pipeline. Proteins 59, 687-696. 
# 
# JF Doreleijers, W Vranken, C Penkett, J Lin, CF Schulte, G Vuister, G Vriend,
# JL Markley, EL Ulrich. BioMagResBank database `NMR Restraints Grid` with
# curated sets of experimental NMR restraints for over 4,000 protein and nucleic
# acid PDB entries. (in preparation)




save_Conversion_project_for_entry_Name_1
    _Study_list.Sf_category  study_list
    _Study_list.Entry_ID     1
    _Study_list.ID           1

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

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

save_


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

save_


save_assembly_1bbg
    _Assembly.Sf_category           assembly
    _Assembly.Entry_ID              1
    _Assembly.ID                    1
    _Assembly.Name                  1bbg
    _Assembly.Number_of_components  1
    _Assembly.Organic_ligands       .
    _Assembly.Metal_ions            .
    _Assembly.Paramagnetic          .
    _Assembly.Thiol_state           "disulfide and other bound"
    _Assembly.Molecular_mass        4313.89

    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 $POLLEN_ALLERGEN_5 A . 1 1 
    stop_

save_


save_POLLEN_ALLERGEN_5
    _Entity.Sf_category                  entity
    _Entity.Entry_ID                     1
    _Entity.ID                           1
    _Entity.Name                         "POLLEN ALLERGEN 5"
    _Entity.Type                         polymer
    _Entity.Polymer_type                 polypeptide(L)
    _Entity.Polymer_seq_one_letter_code  DDGLCYEGTNCGKVGKYCCSPIGKYCVCYDSKAICNKNCT
    _Entity.Number_of_monomers           40

    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 ASP . 1 1 
        2 ASP . 1 1 
        3 GLY . 1 1 
        4 LEU . 1 1 
        5 CYS . 1 1 
        6 TYR . 1 1 
        7 GLU . 1 1 
        8 GLY . 1 1 
        9 THR . 1 1 
       10 ASN . 1 1 
       11 CYS . 1 1 
       12 GLY . 1 1 
       13 LYS . 1 1 
       14 VAL . 1 1 
       15 GLY . 1 1 
       16 LYS . 1 1 
       17 TYR . 1 1 
       18 CYS . 1 1 
       19 CYS . 1 1 
       20 SER . 1 1 
       21 PRO . 1 1 
       22 ILE . 1 1 
       23 GLY . 1 1 
       24 LYS . 1 1 
       25 TYR . 1 1 
       26 CYS . 1 1 
       27 VAL . 1 1 
       28 CYS . 1 1 
       29 TYR . 1 1 
       30 ASP . 1 1 
       31 SER . 1 1 
       32 LYS . 1 1 
       33 ALA . 1 1 
       34 ILE . 1 1 
       35 CYS . 1 1 
       36 ASN . 1 1 
       37 LYS . 1 1 
       38 ASN . 1 1 
       39 CYS . 1 1 
       40 THR . 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

       ASP  1  1 1 1 
       ASP  2  2 1 1 
       GLY  3  3 1 1 
       LEU  4  4 1 1 
       CYS  5  5 1 1 
       TYR  6  6 1 1 
       GLU  7  7 1 1 
       GLY  8  8 1 1 
       THR  9  9 1 1 
       ASN 10 10 1 1 
       CYS 11 11 1 1 
       GLY 12 12 1 1 
       LYS 13 13 1 1 
       VAL 14 14 1 1 
       GLY 15 15 1 1 
       LYS 16 16 1 1 
       TYR 17 17 1 1 
       CYS 18 18 1 1 
       CYS 19 19 1 1 
       SER 20 20 1 1 
       PRO 21 21 1 1 
       ILE 22 22 1 1 
       GLY 23 23 1 1 
       LYS 24 24 1 1 
       TYR 25 25 1 1 
       CYS 26 26 1 1 
       VAL 27 27 1 1 
       CYS 28 28 1 1 
       TYR 29 29 1 1 
       ASP 30 30 1 1 
       SER 31 31 1 1 
       LYS 32 32 1 1 
       ALA 33 33 1 1 
       ILE 34 34 1 1 
       CYS 35 35 1 1 
       ASN 36 36 1 1 
       LYS 37 37 1 1 
       ASN 38 38 1 1 
       CYS 39 39 1 1 
       THR 40 40 1 1 
    stop_

save_


save_CNS/XPLOR_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 
    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  8 GLY H    .  8 . HN   1 1 
         1 1 2 1 1  9 THR H    .  9 . HN   1 1 
         2 1 1 1 1 16 LYS H    . 16 . HN   1 1 
         2 1 2 1 1 17 TYR H    . 17 . HN   1 1 
         3 1 1 1 1  9 THR H    .  9 . HN   1 1 
         3 1 2 1 1 10 ASN H    . 10 . HN   1 1 
         4 1 1 1 1 10 ASN H    . 10 . HN   1 1 
         4 1 2 1 1 11 CYS H    . 11 . HN   1 1 
         5 1 1 1 1 11 CYS H    . 11 . HN   1 1 
         5 1 2 1 1 12 GLY H    . 12 . HN   1 1 
         6 1 1 1 1 11 CYS H    . 11 . HN   1 1 
         6 1 2 1 1 13 LYS H    . 13 . HN   1 1 
         7 1 1 1 1 12 GLY H    . 12 . HN   1 1 
         7 1 2 1 1 13 LYS H    . 13 . HN   1 1 
         8 1 1 1 1 13 LYS H    . 13 . HN   1 1 
         8 1 2 1 1 14 VAL H    . 14 . HN   1 1 
         9 1 1 1 1 15 GLY H    . 15 . HN   1 1 
         9 1 2 1 1 16 LYS H    . 16 . HN   1 1 
        10 1 1 1 1 19 CYS H    . 19 . HN   1 1 
        10 1 2 1 1 27 VAL H    . 27 . HN   1 1 
        11 1 1 1 1 23 GLY H    . 23 . HN   1 1 
        11 1 2 1 1 24 LYS H    . 24 . HN   1 1 
        12 1 1 1 1 30 ASP H    . 30 . HN   1 1 
        12 1 2 1 1 31 SER H    . 31 . HN   1 1 
        13 1 1 1 1 31 SER H    . 31 . HN   1 1 
        13 1 2 1 1 34 ILE H    . 34 . HN   1 1 
        14 1 1 1 1 32 LYS H    . 32 . HN   1 1 
        14 1 2 1 1 33 ALA H    . 33 . HN   1 1 
        15 1 1 1 1 33 ALA H    . 33 . HN   1 1 
        15 1 2 1 1 34 ILE H    . 34 . HN   1 1 
        16 1 1 1 1 34 ILE H    . 34 . HN   1 1 
        16 1 2 1 1 35 CYS H    . 35 . HN   1 1 
        17 1 1 1 1 36 ASN H    . 36 . HN   1 1 
        17 1 2 1 1 37 LYS H    . 37 . HN   1 1 
        18 1 1 1 1 38 ASN H    . 38 . HN   1 1 
        18 1 2 1 1 39 CYS H    . 39 . HN   1 1 
        19 1 1 1 1  3 GLY QA   .  3 . HA2  1 1 
        19 1 2 1 1  4 LEU H    .  4 . HN   1 1 
        20 1 1 1 1  4 LEU HA   .  4 . HA   1 1 
        20 1 2 1 1  5 CYS H    .  5 . HN   1 1 
        21 1 1 1 1  5 CYS HA   .  5 . HA   1 1 
        21 1 2 1 1  6 TYR H    .  6 . HN   1 1 
        22 1 1 1 1  6 TYR HA   .  6 . HA   1 1 
        22 1 2 1 1  7 GLU H    .  7 . HN   1 1 
        23 1 1 1 1  7 GLU HA   .  7 . HA   1 1 
        23 1 2 1 1  8 GLY H    .  8 . HN   1 1 
        24 1 1 1 1  9 THR HA   .  9 . HA   1 1 
        24 1 2 1 1 10 ASN H    . 10 . HN   1 1 
        25 1 1 1 1 13 LYS HA   . 13 . HA   1 1 
        25 1 2 1 1 14 VAL H    . 14 . HN   1 1 
        26 1 1 1 1 14 VAL HA   . 14 . HA   1 1 
        26 1 2 1 1 15 GLY H    . 15 . HN   1 1 
        27 1 1 1 1 16 LYS HA   . 16 . HA   1 1 
        27 1 2 1 1 17 TYR H    . 17 . HN   1 1 
        28 1 1 1 1 17 TYR HA   . 17 . HA   1 1 
        28 1 2 1 1 18 CYS H    . 18 . HN   1 1 
        29 1 1 1 1 18 CYS HA   . 18 . HA   1 1 
        29 1 2 1 1 19 CYS H    . 19 . HN   1 1 
        30 1 1 1 1 19 CYS HA   . 19 . HA   1 1 
        30 1 2 1 1 20 SER H    . 20 . HN   1 1 
        31 1 1 1 1 22 ILE HA   . 22 . HA   1 1 
        31 1 2 1 1 23 GLY H    . 23 . HN   1 1 
        32 1 1 1 1 26 CYS HA   . 26 . HA   1 1 
        32 1 2 1 1 27 VAL H    . 27 . HN   1 1 
        33 1 1 1 1 28 CYS HA   . 28 . HA   1 1 
        33 1 2 1 1 29 TYR H    . 29 . HN   1 1 
        34 1 1 1 1 29 TYR HA   . 29 . HA   1 1 
        34 1 2 1 1 30 ASP H    . 30 . HN   1 1 
        35 1 1 1 1 31 SER HA   . 31 . HA   1 1 
        35 1 2 1 1 32 LYS H    . 32 . HN   1 1 
        36 1 1 1 1 34 ILE HA   . 34 . HA   1 1 
        36 1 2 1 1 35 CYS H    . 35 . HN   1 1 
        37 1 1 1 1 32 LYS HA   . 32 . HA   1 1 
        37 1 2 1 1 36 ASN H    . 36 . HN   1 1 
        38 1 1 1 1 36 ASN HA   . 36 . HA   1 1 
        38 1 2 1 1 37 LYS H    . 37 . HN   1 1 
        39 1 1 1 1 37 LYS HA   . 37 . HA   1 1 
        39 1 2 1 1 38 ASN H    . 38 . HN   1 1 
        40 1 1 1 1 38 ASN HA   . 38 . HA   1 1 
        40 1 2 1 1 39 CYS H    . 39 . HN   1 1 
        41 1 1 1 1  6 TYR H    .  6 . HN   1 1 
        41 1 2 1 1 19 CYS HA   . 19 . HA   1 1 
        42 1 1 1 1  9 THR HA   .  9 . HA   1 1 
        42 1 2 1 1 12 GLY H    . 12 . HN   1 1 
        43 1 1 1 1  9 THR HA   .  9 . HA   1 1 
        43 1 2 1 1 13 LYS H    . 13 . HN   1 1 
        44 1 1 1 1  9 THR HA   .  9 . HA   1 1 
        44 1 2 1 1 14 VAL H    . 14 . HN   1 1 
        45 1 1 1 1 14 VAL HA   . 14 . HA   1 1 
        45 1 2 1 1 16 LYS H    . 16 . HN   1 1 
        46 1 1 1 1 22 ILE HA   . 22 . HA   1 1 
        46 1 2 1 1 24 LYS H    . 24 . HN   1 1 
        47 1 1 1 1 18 CYS HA   . 18 . HA   1 1 
        47 1 2 1 1 29 TYR H    . 29 . HN   1 1 
        48 1 1 1 1 33 ALA HA   . 33 . HA   1 1 
        48 1 2 1 1 36 ASN H    . 36 . HN   1 1 
        49 1 1 1 1 34 ILE HA   . 34 . HA   1 1 
        49 1 2 1 1 37 LYS H    . 37 . HN   1 1 
        50 1 1 1 1  1 ASP HB3  .  1 . HB1  1 1 
        50 1 2 1 1  2 ASP H    .  2 . HN   1 1 
        51 1 1 1 1  5 CYS HB2  .  5 . HB2  1 1 
        51 1 2 1 1  6 TYR H    .  6 . HN   1 1 
        52 1 1 1 1  6 TYR HB2  .  6 . HB2  1 1 
        52 1 2 1 1  7 GLU H    .  7 . HN   1 1 
        53 1 1 1 1  6 TYR HB3  .  6 . HB1  1 1 
        53 1 2 1 1  7 GLU H    .  7 . HN   1 1 
        54 1 1 1 1  9 THR HB   .  9 . HB   1 1 
        54 1 2 1 1 10 ASN H    . 10 . HN   1 1 
        55 1 1 1 1 11 CYS HB2  . 11 . HB2  1 1 
        55 1 2 1 1 12 GLY H    . 12 . HN   1 1 
        56 1 1 1 1 13 LYS HB3  . 13 . HB1  1 1 
        56 1 2 1 1 14 VAL H    . 14 . HN   1 1 
        57 1 1 1 1 16 LYS HB2  . 16 . HB2  1 1 
        57 1 2 1 1 17 TYR H    . 17 . HN   1 1 
        58 1 1 1 1 16 LYS HB3  . 16 . HB1  1 1 
        58 1 2 1 1 17 TYR H    . 17 . HN   1 1 
        59 1 1 1 1 18 CYS HB3  . 18 . HB1  1 1 
        59 1 2 1 1 19 CYS H    . 19 . HN   1 1 
        60 1 1 1 1 29 TYR HB2  . 29 . HB2  1 1 
        60 1 2 1 1 30 ASP H    . 30 . HN   1 1 
        61 1 1 1 1 29 TYR HB3  . 29 . HB1  1 1 
        61 1 2 1 1 31 SER H    . 31 . HN   1 1 
        62 1 1 1 1 29 TYR HB2  . 29 . HB2  1 1 
        62 1 2 1 1 31 SER H    . 31 . HN   1 1 
        63 1 1 1 1 31 SER H    . 31 . HN   1 1 
        63 1 2 1 1 34 ILE HB   . 34 . HB   1 1 
        64 1 1 1 1 31 SER HB2  . 31 . HB2  1 1 
        64 1 2 1 1 32 LYS H    . 32 . HN   1 1 
        65 1 1 1 1 34 ILE HB   . 34 . HB   1 1 
        65 1 2 1 1 35 CYS H    . 35 . HN   1 1 
        66 1 1 1 1 36 ASN QB   . 36 . HB2  1 1 
        66 1 2 1 1 37 LYS H    . 37 . HN   1 1 
        67 1 1 1 1 37 LYS QB   . 37 . HB2  1 1 
        67 1 2 1 1 38 ASN H    . 38 . HN   1 1 
        68 1 1 1 1 37 LYS QB   . 37 . HB2  1 1 
        68 1 2 1 1 39 CYS H    . 39 . HN   1 1 
        69 1 1 1 1  7 GLU HG3  .  7 . HG1  1 1 
        69 1 2 1 1  8 GLY H    .  8 . HN   1 1 
        70 1 1 1 1 18 CYS HA   . 18 . HA   1 1 
        70 1 2 1 1 28 CYS HB3  . 28 . HB1  1 1 
        71 1 1 1 1 18 CYS HA   . 18 . HA   1 1 
        71 1 2 1 1 28 CYS HB2  . 28 . HB2  1 1 
        72 1 1 1 1 37 LYS QB   . 37 . HB2  1 1 
        72 1 2 1 1 38 ASN HD22 . 38 . HD22 1 1 
        73 1 1 1 1  6 TYR QD   .  6 . HD1  1 1 
        73 1 2 1 1  7 GLU H    .  7 . HN   1 1 
        74 1 1 1 1 17 TYR QD   . 17 . HD1  1 1 
        74 1 2 1 1 32 LYS H    . 32 . HN   1 1 
        75 1 1 1 1 29 TYR QD   . 29 . HD1  1 1 
        75 1 2 1 1 30 ASP H    . 30 . HN   1 1 
        76 1 1 1 1 29 TYR QD   . 29 . HD1  1 1 
        76 1 2 1 1 31 SER H    . 31 . HN   1 1 
        77 1 1 1 1 29 TYR QD   . 29 . HD1  1 1 
        77 1 2 1 1 35 CYS H    . 35 . HN   1 1 
        78 1 1 1 1  7 GLU H    .  7 . HN   1 1 
        78 1 2 1 1 17 TYR QE   . 17 . HE1  1 1 
        79 1 1 1 1  6 TYR QE   .  6 . HE1  1 1 
        79 1 2 1 1 10 ASN HB3  . 10 . HB1  1 1 
        80 1 1 1 1  6 TYR QE   .  6 . HE1  1 1 
        80 1 2 1 1 10 ASN HB2  . 10 . HB2  1 1 
        81 1 1 1 1  6 TYR QE   .  6 . HE1  1 1 
        81 1 2 1 1 19 CYS HA   . 19 . HA   1 1 
        82 1 1 1 1  7 GLU HB3  .  7 . HB1  1 1 
        82 1 2 1 1 17 TYR QE   . 17 . HE1  1 1 
        83 1 1 1 1 17 TYR QE   . 17 . HE1  1 1 
        83 1 2 1 1 32 LYS QD   . 32 . HD2  1 1 
        84 1 1 1 1 17 TYR QE   . 17 . HE1  1 1 
        84 1 2 1 1 32 LYS QE   . 32 . HE2  1 1 
        85 1 1 1 1 29 TYR QE   . 29 . HE1  1 1 
        85 1 2 1 1 34 ILE HA   . 34 . HA   1 1 
        86 1 1 1 1  2 ASP H    .  2 . HN   1 1 
        86 1 2 1 1  2 ASP HB2  .  2 . HB2  1 1 
        87 1 1 1 1  4 LEU H    .  4 . HN   1 1 
        87 1 2 1 1  4 LEU HB2  .  4 . HB2  1 1 
        88 1 1 1 1  5 CYS H    .  5 . HN   1 1 
        88 1 2 1 1  5 CYS HB3  .  5 . HB1  1 1 
        89 1 1 1 1  6 TYR H    .  6 . HN   1 1 
        89 1 2 1 1  6 TYR QD   .  6 . HD1  1 1 
        90 1 1 1 1  7 GLU H    .  7 . HN   1 1 
        90 1 2 1 1  7 GLU HA   .  7 . HA   1 1 
        91 1 1 1 1  7 GLU H    .  7 . HN   1 1 
        91 1 2 1 1  7 GLU HB3  .  7 . HB1  1 1 
        92 1 1 1 1  7 GLU H    .  7 . HN   1 1 
        92 1 2 1 1  7 GLU HB2  .  7 . HB2  1 1 
        93 1 1 1 1  7 GLU H    .  7 . HN   1 1 
        93 1 2 1 1  7 GLU HG2  .  7 . HG2  1 1 
        94 1 1 1 1  7 GLU HB2  .  7 . HB2  1 1 
        94 1 2 1 1  7 GLU HG3  .  7 . HG1  1 1 
        95 1 1 1 1  8 GLY H    .  8 . HN   1 1 
        95 1 2 1 1  8 GLY HA3  .  8 . HA1  1 1 
        96 1 1 1 1  8 GLY H    .  8 . HN   1 1 
        96 1 2 1 1  8 GLY HA2  .  8 . HA2  1 1 
        97 1 1 1 1  9 THR H    .  9 . HN   1 1 
        97 1 2 1 1  9 THR HA   .  9 . HA   1 1 
        98 1 1 1 1  9 THR H    .  9 . HN   1 1 
        98 1 2 1 1  9 THR HB   .  9 . HB   1 1 
        99 1 1 1 1 10 ASN H    . 10 . HN   1 1 
        99 1 2 1 1 10 ASN HA   . 10 . HA   1 1 
       100 1 1 1 1 10 ASN H    . 10 . HN   1 1 
       100 1 2 1 1 10 ASN HB3  . 10 . HB1  1 1 
       101 1 1 1 1 10 ASN H    . 10 . HN   1 1 
       101 1 2 1 1 10 ASN HB2  . 10 . HB2  1 1 
       102 1 1 1 1 11 CYS H    . 11 . HN   1 1 
       102 1 2 1 1 11 CYS HB2  . 11 . HB2  1 1 
       103 1 1 1 1 11 CYS H    . 11 . HN   1 1 
       103 1 2 1 1 11 CYS HB3  . 11 . HB1  1 1 
       104 1 1 1 1 12 GLY H    . 12 . HN   1 1 
       104 1 2 1 1 12 GLY HA3  . 12 . HA1  1 1 
       105 1 1 1 1 12 GLY H    . 12 . HN   1 1 
       105 1 2 1 1 12 GLY HA2  . 12 . HA2  1 1 
       106 1 1 1 1 13 LYS H    . 13 . HN   1 1 
       106 1 2 1 1 13 LYS HB3  . 13 . HB1  1 1 
       107 1 1 1 1 13 LYS H    . 13 . HN   1 1 
       107 1 2 1 1 13 LYS QG   . 13 . HG2  1 1 
       108 1 1 1 1 14 VAL H    . 14 . HN   1 1 
       108 1 2 1 1 14 VAL HA   . 14 . HA   1 1 
       109 1 1 1 1 14 VAL H    . 14 . HN   1 1 
       109 1 2 1 1 14 VAL HB   . 14 . HB   1 1 
       110 1 1 1 1 20 SER H    . 20 . HN   1 1 
       110 1 2 1 1 20 SER HB3  . 20 . HB1  1 1 
       111 1 1 1 1 15 GLY H    . 15 . HN   1 1 
       111 1 2 1 1 15 GLY HA2  . 15 . HA2  1 1 
       112 1 1 1 1 16 LYS H    . 16 . HN   1 1 
       112 1 2 1 1 16 LYS HB3  . 16 . HB1  1 1 
       113 1 1 1 1 16 LYS H    . 16 . HN   1 1 
       113 1 2 1 1 16 LYS HB2  . 16 . HB2  1 1 
       114 1 1 1 1 16 LYS H    . 16 . HN   1 1 
       114 1 2 1 1 16 LYS HG3  . 16 . HG1  1 1 
       115 1 1 1 1 16 LYS H    . 16 . HN   1 1 
       115 1 2 1 1 16 LYS HG2  . 16 . HG2  1 1 
       116 1 1 1 1 17 TYR H    . 17 . HN   1 1 
       116 1 2 1 1 17 TYR HB2  . 17 . HB2  1 1 
       117 1 1 1 1 17 TYR H    . 17 . HN   1 1 
       117 1 2 1 1 17 TYR HB3  . 17 . HB1  1 1 
       118 1 1 1 1 17 TYR H    . 17 . HN   1 1 
       118 1 2 1 1 17 TYR QD   . 17 . HD1  1 1 
       119 1 1 1 1 19 CYS H    . 19 . HN   1 1 
       119 1 2 1 1 19 CYS HB3  . 19 . HB1  1 1 
       120 1 1 1 1 20 SER H    . 20 . HN   1 1 
       120 1 2 1 1 20 SER HB2  . 20 . HB2  1 1 
       121 1 1 1 1 22 ILE H    . 22 . HN   1 1 
       121 1 2 1 1 22 ILE HB   . 22 . HB   1 1 
       122 1 1 1 1 23 GLY H    . 23 . HN   1 1 
       122 1 2 1 1 23 GLY HA2  . 23 . HA2  1 1 
       123 1 1 1 1 23 GLY H    . 23 . HN   1 1 
       123 1 2 1 1 23 GLY HA3  . 23 . HA1  1 1 
       124 1 1 1 1 24 LYS H    . 24 . HN   1 1 
       124 1 2 1 1 24 LYS HB2  . 24 . HB2  1 1 
       125 1 1 1 1 24 LYS H    . 24 . HN   1 1 
       125 1 2 1 1 24 LYS HB3  . 24 . HB1  1 1 
       126 1 1 1 1 24 LYS H    . 24 . HN   1 1 
       126 1 2 1 1 24 LYS QD   . 24 . HD2  1 1 
       127 1 1 1 1 25 TYR H    . 25 . HN   1 1 
       127 1 2 1 1 25 TYR QE   . 25 . HE1  1 1 
       128 1 1 1 1 27 VAL H    . 27 . HN   1 1 
       128 1 2 1 1 27 VAL HB   . 27 . HB   1 1 
       129 1 1 1 1 28 CYS H    . 28 . HN   1 1 
       129 1 2 1 1 28 CYS HB2  . 28 . HB2  1 1 
       130 1 1 1 1 28 CYS H    . 28 . HN   1 1 
       130 1 2 1 1 28 CYS HB3  . 28 . HB1  1 1 
       131 1 1 1 1 29 TYR H    . 29 . HN   1 1 
       131 1 2 1 1 29 TYR HB3  . 29 . HB1  1 1 
       132 1 1 1 1 29 TYR H    . 29 . HN   1 1 
       132 1 2 1 1 29 TYR QD   . 29 . HD1  1 1 
       133 1 1 1 1 30 ASP H    . 30 . HN   1 1 
       133 1 2 1 1 30 ASP HA   . 30 . HA   1 1 
       134 1 1 1 1 30 ASP H    . 30 . HN   1 1 
       134 1 2 1 1 30 ASP HB3  . 30 . HB1  1 1 
       135 1 1 1 1 30 ASP H    . 30 . HN   1 1 
       135 1 2 1 1 30 ASP HB2  . 30 . HB2  1 1 
       136 1 1 1 1 31 SER H    . 31 . HN   1 1 
       136 1 2 1 1 31 SER HA   . 31 . HA   1 1 
       137 1 1 1 1 31 SER H    . 31 . HN   1 1 
       137 1 2 1 1 31 SER HB2  . 31 . HB2  1 1 
       138 1 1 1 1 32 LYS H    . 32 . HN   1 1 
       138 1 2 1 1 32 LYS HA   . 32 . HA   1 1 
       139 1 1 1 1 32 LYS H    . 32 . HN   1 1 
       139 1 2 1 1 32 LYS HB2  . 32 . HB2  1 1 
       140 1 1 1 1 32 LYS H    . 32 . HN   1 1 
       140 1 2 1 1 32 LYS HB3  . 32 . HB1  1 1 
       141 1 1 1 1 32 LYS H    . 32 . HN   1 1 
       141 1 2 1 1 32 LYS HG2  . 32 . HG2  1 1 
       142 1 1 1 1 32 LYS QD   . 32 . HD2  1 1 
       142 1 2 1 1 32 LYS HG3  . 32 . HG1  1 1 
       143 1 1 1 1 33 ALA H    . 33 . HN   1 1 
       143 1 2 1 1 33 ALA HA   . 33 . HA   1 1 
       144 1 1 1 1 34 ILE H    . 34 . HN   1 1 
       144 1 2 1 1 34 ILE HA   . 34 . HA   1 1 
       145 1 1 1 1 34 ILE H    . 34 . HN   1 1 
       145 1 2 1 1 34 ILE HB   . 34 . HB   1 1 
       146 1 1 1 1 34 ILE H    . 34 . HN   1 1 
       146 1 2 1 1 34 ILE QG   . 34 . HG12 1 1 
       147 1 1 1 1 35 CYS H    . 35 . HN   1 1 
       147 1 2 1 1 35 CYS HB3  . 35 . HB1  1 1 
       148 1 1 1 1 35 CYS H    . 35 . HN   1 1 
       148 1 2 1 1 35 CYS HB2  . 35 . HB2  1 1 
       149 1 1 1 1 36 ASN H    . 36 . HN   1 1 
       149 1 2 1 1 36 ASN HA   . 36 . HA   1 1 
       150 1 1 1 1 36 ASN H    . 36 . HN   1 1 
       150 1 2 1 1 36 ASN QB   . 36 . HB2  1 1 
       151 1 1 1 1 36 ASN QB   . 36 . HB2  1 1 
       151 1 2 1 1 36 ASN HD21 . 36 . HD21 1 1 
       152 1 1 1 1 38 ASN H    . 38 . HN   1 1 
       152 1 2 1 1 38 ASN HB2  . 38 . HB2  1 1 
       153 1 1 1 1 38 ASN H    . 38 . HN   1 1 
       153 1 2 1 1 38 ASN HB3  . 38 . HB1  1 1 
       154 1 1 1 1 38 ASN H    . 38 . HN   1 1 
       154 1 2 1 1 38 ASN HD21 . 38 . HD21 1 1 
       155 1 1 1 1 39 CYS H    . 39 . HN   1 1 
       155 1 2 1 1 39 CYS HA   . 39 . HA   1 1 
       156 1 1 1 1 39 CYS H    . 39 . HN   1 1 
       156 1 2 1 1 39 CYS HB2  . 39 . HB2  1 1 
       157 1 1 1 1 39 CYS H    . 39 . HN   1 1 
       157 1 2 1 1 39 CYS HB3  . 39 . HB1  1 1 
       158 1 1 1 1 40 THR H    . 40 . HN   1 1 
       158 1 2 1 1 40 THR HB   . 40 . HB   1 1 
       159 1 1 1 1  6 TYR H    .  6 . HN   1 1 
       159 1 2 1 1 18 CYS H    . 18 . HN   1 1 
       160 1 1 1 1  7 GLU H    .  7 . HN   1 1 
       160 1 2 1 1  8 GLY H    .  8 . HN   1 1 
       161 1 1 1 1 14 VAL H    . 14 . HN   1 1 
       161 1 2 1 1 15 GLY H    . 15 . HN   1 1 
       162 1 1 1 1 17 TYR H    . 17 . HN   1 1 
       162 1 2 1 1 29 TYR H    . 29 . HN   1 1 
       163 1 1 1 1 24 LYS H    . 24 . HN   1 1 
       163 1 2 1 1 26 CYS H    . 26 . HN   1 1 
       164 1 1 1 1  2 ASP H    .  2 . HN   1 1 
       164 1 2 1 1  3 GLY H    .  3 . HN   1 1 
       165 1 1 1 1 22 ILE H    . 22 . HN   1 1 
       165 1 2 1 1 25 TYR H    . 25 . HN   1 1 
       166 1 1 1 1 29 TYR H    . 29 . HN   1 1 
       166 1 2 1 1 30 ASP H    . 30 . HN   1 1 
       167 1 1 1 1 31 SER H    . 31 . HN   1 1 
       167 1 2 1 1 32 LYS H    . 32 . HN   1 1 
       168 1 1 1 1 35 CYS H    . 35 . HN   1 1 
       168 1 2 1 1 36 ASN H    . 36 . HN   1 1 
       169 1 1 1 1 35 CYS H    . 35 . HN   1 1 
       169 1 2 1 1 37 LYS H    . 37 . HN   1 1 
       170 1 1 1 1 35 CYS H    . 35 . HN   1 1 
       170 1 2 1 1 39 CYS H    . 39 . HN   1 1 
       171 1 1 1 1 39 CYS H    . 39 . HN   1 1 
       171 1 2 1 1 40 THR H    . 40 . HN   1 1 
       172 1 1 1 1 10 ASN HA   . 10 . HA   1 1 
       172 1 2 1 1 11 CYS H    . 11 . HN   1 1 
       173 1 1 1 1 12 GLY HA3  . 12 . HA1  1 1 
       173 1 2 1 1 13 LYS H    . 13 . HN   1 1 
       174 1 1 1 1 12 GLY HA2  . 12 . HA2  1 1 
       174 1 2 1 1 13 LYS H    . 13 . HN   1 1 
       175 1 1 1 1 15 GLY HA3  . 15 . HA1  1 1 
       175 1 2 1 1 16 LYS H    . 16 . HN   1 1 
       176 1 1 1 1 15 GLY HA2  . 15 . HA2  1 1 
       176 1 2 1 1 16 LYS H    . 16 . HN   1 1 
       177 1 1 1 1 21 PRO HA   . 21 . HA   1 1 
       177 1 2 1 1 22 ILE H    . 22 . HN   1 1 
       178 1 1 1 1 23 GLY HA2  . 23 . HA2  1 1 
       178 1 2 1 1 24 LYS H    . 24 . HN   1 1 
       179 1 1 1 1 23 GLY HA3  . 23 . HA1  1 1 
       179 1 2 1 1 24 LYS H    . 24 . HN   1 1 
       180 1 1 1 1 30 ASP HA   . 30 . HA   1 1 
       180 1 2 1 1 31 SER H    . 31 . HN   1 1 
       181 1 1 1 1 32 LYS HA   . 32 . HA   1 1 
       181 1 2 1 1 33 ALA H    . 33 . HN   1 1 
       182 1 1 1 1 33 ALA HA   . 33 . HA   1 1 
       182 1 2 1 1 34 ILE H    . 34 . HN   1 1 
       183 1 1 1 1  9 THR HA   .  9 . HA   1 1 
       183 1 2 1 1 11 CYS H    . 11 . HN   1 1 
       184 1 1 1 1 10 ASN HA   . 10 . HA   1 1 
       184 1 2 1 1 12 GLY H    . 12 . HN   1 1 
       185 1 1 1 1 13 LYS HA   . 13 . HA   1 1 
       185 1 2 1 1 16 LYS H    . 16 . HN   1 1 
       186 1 1 1 1 17 TYR H    . 17 . HN   1 1 
       186 1 2 1 1 30 ASP HA   . 30 . HA   1 1 
       187 1 1 1 1  7 GLU HA   .  7 . HA   1 1 
       187 1 2 1 1 18 CYS H    . 18 . HN   1 1 
       188 1 1 1 1 19 CYS H    . 19 . HN   1 1 
       188 1 2 1 1 28 CYS HA   . 28 . HA   1 1 
       189 1 1 1 1 31 SER HA   . 31 . HA   1 1 
       189 1 2 1 1 33 ALA H    . 33 . HN   1 1 
       190 1 1 1 1 31 SER HA   . 31 . HA   1 1 
       190 1 2 1 1 34 ILE H    . 34 . HN   1 1 
       191 1 1 1 1 36 ASN HA   . 36 . HA   1 1 
       191 1 2 1 1 39 CYS H    . 39 . HN   1 1 
       192 1 1 1 1 38 ASN HA   . 38 . HA   1 1 
       192 1 2 1 1 40 THR H    . 40 . HN   1 1 
       193 1 1 1 1  7 GLU HB3  .  7 . HB1  1 1 
       193 1 2 1 1  8 GLY H    .  8 . HN   1 1 
       194 1 1 1 1  8 GLY H    .  8 . HN   1 1 
       194 1 2 1 1 17 TYR HB3  . 17 . HB1  1 1 
       195 1 1 1 1  9 THR HB   .  9 . HB   1 1 
       195 1 2 1 1 11 CYS H    . 11 . HN   1 1 
       196 1 1 1 1 11 CYS HB2  . 11 . HB2  1 1 
       196 1 2 1 1 13 LYS H    . 13 . HN   1 1 
       197 1 1 1 1 14 VAL HB   . 14 . HB   1 1 
       197 1 2 1 1 15 GLY H    . 15 . HN   1 1 
       198 1 1 1 1 17 TYR HB3  . 17 . HB1  1 1 
       198 1 2 1 1 18 CYS H    . 18 . HN   1 1 
       199 1 1 1 1 28 CYS HB2  . 28 . HB2  1 1 
       199 1 2 1 1 29 TYR H    . 29 . HN   1 1 
       200 1 1 1 1 28 CYS HB3  . 28 . HB1  1 1 
       200 1 2 1 1 29 TYR H    . 29 . HN   1 1 
       201 1 1 1 1 30 ASP HB3  . 30 . HB1  1 1 
       201 1 2 1 1 31 SER H    . 31 . HN   1 1 
       202 1 1 1 1 30 ASP HB2  . 30 . HB2  1 1 
       202 1 2 1 1 31 SER H    . 31 . HN   1 1 
       203 1 1 1 1 31 SER HB3  . 31 . HB1  1 1 
       203 1 2 1 1 33 ALA H    . 33 . HN   1 1 
       204 1 1 1 1 32 LYS HB2  . 32 . HB2  1 1 
       204 1 2 1 1 33 ALA H    . 33 . HN   1 1 
       205 1 1 1 1 31 SER HB3  . 31 . HB1  1 1 
       205 1 2 1 1 34 ILE H    . 34 . HN   1 1 
       206 1 1 1 1 38 ASN HB3  . 38 . HB1  1 1 
       206 1 2 1 1 39 CYS H    . 39 . HN   1 1 
       207 1 1 1 1 37 LYS QD   . 37 . HD2  1 1 
       207 1 2 1 1 39 CYS H    . 39 . HN   1 1 
       208 1 1 1 1  7 GLU H    .  7 . HN   1 1 
       208 1 2 1 1 17 TYR QD   . 17 . HD1  1 1 
       209 1 1 1 1 17 TYR QD   . 17 . HD1  1 1 
       209 1 2 1 1 18 CYS H    . 18 . HN   1 1 
       210 1 1 1 1 17 TYR H    . 17 . HN   1 1 
       210 1 2 1 1 29 TYR QD   . 29 . HD1  1 1 
       211 1 1 1 1  6 TYR QE   .  6 . HE1  1 1 
       211 1 2 1 1  7 GLU H    .  7 . HN   1 1 
       212 1 1 1 1  8 GLY H    .  8 . HN   1 1 
       212 1 2 1 1 17 TYR QE   . 17 . HE1  1 1 
       213 1 1 1 1 17 TYR QE   . 17 . HE1  1 1 
       213 1 2 1 1 32 LYS H    . 32 . HN   1 1 
       214 1 1 1 1  4 LEU H    .  4 . HN   1 1 
       214 1 2 1 1  4 LEU HA   .  4 . HA   1 1 
       215 1 1 1 1  6 TYR H    .  6 . HN   1 1 
       215 1 2 1 1  6 TYR HB2  .  6 . HB2  1 1 
       216 1 1 1 1  6 TYR H    .  6 . HN   1 1 
       216 1 2 1 1  6 TYR HB3  .  6 . HB1  1 1 
       217 1 1 1 1  6 TYR H    .  6 . HN   1 1 
       217 1 2 1 1  6 TYR QE   .  6 . HE1  1 1 
       218 1 1 1 1 10 ASN HB3  . 10 . HB1  1 1 
       218 1 2 1 1 10 ASN HD21 . 10 . HD21 1 1 
       219 1 1 1 1 10 ASN HB2  . 10 . HB2  1 1 
       219 1 2 1 1 10 ASN HD21 . 10 . HD21 1 1 
       220 1 1 1 1 25 TYR H    . 25 . HN   1 1 
       220 1 2 1 1 25 TYR HA   . 25 . HA   1 1 
       221 1 1 1 1 13 LYS H    . 13 . HN   1 1 
       221 1 2 1 1 13 LYS HA   . 13 . HA   1 1 
       222 1 1 1 1 13 LYS H    . 13 . HN   1 1 
       222 1 2 1 1 13 LYS QD   . 13 . HD2  1 1 
       223 1 1 1 1 16 LYS H    . 16 . HN   1 1 
       223 1 2 1 1 16 LYS QD   . 16 . HD2  1 1 
       224 1 1 1 1 18 CYS H    . 18 . HN   1 1 
       224 1 2 1 1 18 CYS HA   . 18 . HA   1 1 
       225 1 1 1 1 18 CYS H    . 18 . HN   1 1 
       225 1 2 1 1 18 CYS HB2  . 18 . HB2  1 1 
       226 1 1 1 1 18 CYS H    . 18 . HN   1 1 
       226 1 2 1 1 18 CYS HB3  . 18 . HB1  1 1 
       227 1 1 1 1 19 CYS H    . 19 . HN   1 1 
       227 1 2 1 1 19 CYS HB2  . 19 . HB2  1 1 
       228 1 1 1 1 22 ILE H    . 22 . HN   1 1 
       228 1 2 1 1 22 ILE HA   . 22 . HA   1 1 
       229 1 1 1 1 24 LYS H    . 24 . HN   1 1 
       229 1 2 1 1 24 LYS HA   . 24 . HA   1 1 
       230 1 1 1 1 24 LYS H    . 24 . HN   1 1 
       230 1 2 1 1 24 LYS QG   . 24 . HG2  1 1 
       231 1 1 1 1 25 TYR QB   . 25 . HB2  1 1 
       231 1 2 1 1 25 TYR QD   . 25 . HD1  1 1 
       232 1 1 1 1 26 CYS H    . 26 . HN   1 1 
       232 1 2 1 1 26 CYS HB3  . 26 . HB1  1 1 
       233 1 1 1 1 28 CYS H    . 28 . HN   1 1 
       233 1 2 1 1 28 CYS HA   . 28 . HA   1 1 
       234 1 1 1 1 29 TYR H    . 29 . HN   1 1 
       234 1 2 1 1 29 TYR HB2  . 29 . HB2  1 1 
       235 1 1 1 1 29 TYR H    . 29 . HN   1 1 
       235 1 2 1 1 29 TYR QE   . 29 . HE1  1 1 
       236 1 1 1 1 31 SER H    . 31 . HN   1 1 
       236 1 2 1 1 31 SER HB3  . 31 . HB1  1 1 
       237 1 1 1 1 32 LYS H    . 32 . HN   1 1 
       237 1 2 1 1 32 LYS QD   . 32 . HD2  1 1 
       238 1 1 1 1 37 LYS H    . 37 . HN   1 1 
       238 1 2 1 1 37 LYS QD   . 37 . HD2  1 1 
       239 1 1 1 1 38 ASN H    . 38 . HN   1 1 
       239 1 2 1 1 38 ASN HA   . 38 . HA   1 1 
       240 1 1 1 1 38 ASN HB2  . 38 . HB2  1 1 
       240 1 2 1 1 38 ASN HD21 . 38 . HD21 1 1 
       241 1 1 1 1  5 CYS HA   .  5 . HA   1 1 
       241 1 2 1 1 19 CYS HA   . 19 . HA   1 1 
       242 1 1 1 1  7 GLU HA   .  7 . HA   1 1 
       242 1 2 1 1 17 TYR HA   . 17 . HA   1 1 
       243 1 1 1 1 18 CYS HA   . 18 . HA   1 1 
       243 1 2 1 1 28 CYS HA   . 28 . HA   1 1 
       244 1 1 1 1  9 THR HA   .  9 . HA   1 1 
       244 1 2 1 1 13 LYS HB3  . 13 . HB1  1 1 
       245 1 1 1 1 11 CYS HA   . 11 . HA   1 1 
       245 1 2 1 1 12 GLY HA3  . 12 . HA1  1 1 
       246 1 1 1 1 20 SER HB3  . 20 . HB1  1 1 
       246 1 2 1 1 26 CYS HA   . 26 . HA   1 1 
       247 1 1 1 1  3 GLY QA   .  3 . HA2  1 1 
       247 1 2 1 1 21 PRO HB2  . 21 . HB2  1 1 
       248 1 1 1 1 16 LYS HB3  . 16 . HB1  1 1 
       248 1 2 1 1 30 ASP HA   . 30 . HA   1 1 
       249 1 1 1 1 17 TYR HB2  . 17 . HB2  1 1 
       249 1 2 1 1 32 LYS HA   . 32 . HA   1 1 
       250 1 1 1 1 33 ALA HA   . 33 . HA   1 1 
       250 1 2 1 1 36 ASN QB   . 36 . HB2  1 1 
       251 1 1 1 1 34 ILE HA   . 34 . HA   1 1 
       251 1 2 1 1 37 LYS QB   . 37 . HB2  1 1 
       252 1 1 1 1  9 THR HA   .  9 . HA   1 1 
       252 1 2 1 1 13 LYS QG   . 13 . HG2  1 1 
       253 1 1 1 1 20 SER HA   . 20 . HA   1 1 
       253 1 2 1 1 21 PRO HD3  . 21 . HD1  1 1 
       254 1 1 1 1  5 CYS HA   .  5 . HA   1 1 
       254 1 2 1 1  6 TYR QD   .  6 . HD1  1 1 
       255 1 1 1 1  7 GLU HA   .  7 . HA   1 1 
       255 1 2 1 1 17 TYR QD   . 17 . HD1  1 1 
       256 1 1 1 1 17 TYR QD   . 17 . HD1  1 1 
       256 1 2 1 1 32 LYS HA   . 32 . HA   1 1 
       257 1 1 1 1 18 CYS HA   . 18 . HA   1 1 
       257 1 2 1 1 29 TYR QD   . 29 . HD1  1 1 
       258 1 1 1 1 28 CYS HA   . 28 . HA   1 1 
       258 1 2 1 1 29 TYR QD   . 29 . HD1  1 1 
       259 1 1 1 1  2 ASP HA   .  2 . HA   1 1 
       259 1 2 1 1  2 ASP HB3  .  2 . HB1  1 1 
       260 1 1 1 1  4 LEU HA   .  4 . HA   1 1 
       260 1 2 1 1  4 LEU HB3  .  4 . HB1  1 1 
       261 1 1 1 1  5 CYS HA   .  5 . HA   1 1 
       261 1 2 1 1  5 CYS HB2  .  5 . HB2  1 1 
       262 1 1 1 1  6 TYR HA   .  6 . HA   1 1 
       262 1 2 1 1  6 TYR HB2  .  6 . HB2  1 1 
       263 1 1 1 1  6 TYR HA   .  6 . HA   1 1 
       263 1 2 1 1  6 TYR HB3  .  6 . HB1  1 1 
       264 1 1 1 1  6 TYR HA   .  6 . HA   1 1 
       264 1 2 1 1  6 TYR QD   .  6 . HD1  1 1 
       265 1 1 1 1  6 TYR HB2  .  6 . HB2  1 1 
       265 1 2 1 1  6 TYR QD   .  6 . HD1  1 1 
       266 1 1 1 1  6 TYR HB3  .  6 . HB1  1 1 
       266 1 2 1 1  6 TYR QD   .  6 . HD1  1 1 
       267 1 1 1 1  6 TYR HB2  .  6 . HB2  1 1 
       267 1 2 1 1  6 TYR QE   .  6 . HE1  1 1 
       268 1 1 1 1  6 TYR HB3  .  6 . HB1  1 1 
       268 1 2 1 1  6 TYR QE   .  6 . HE1  1 1 
       269 1 1 1 1  7 GLU HA   .  7 . HA   1 1 
       269 1 2 1 1  7 GLU HB3  .  7 . HB1  1 1 
       270 1 1 1 1  7 GLU HA   .  7 . HA   1 1 
       270 1 2 1 1  7 GLU HB2  .  7 . HB2  1 1 
       271 1 1 1 1  7 GLU HA   .  7 . HA   1 1 
       271 1 2 1 1  7 GLU HG2  .  7 . HG2  1 1 
       272 1 1 1 1  7 GLU HA   .  7 . HA   1 1 
       272 1 2 1 1  7 GLU HG3  .  7 . HG1  1 1 
       273 1 1 1 1  7 GLU HB3  .  7 . HB1  1 1 
       273 1 2 1 1  7 GLU HG2  .  7 . HG2  1 1 
       274 1 1 1 1  7 GLU HB3  .  7 . HB1  1 1 
       274 1 2 1 1  7 GLU HG3  .  7 . HG1  1 1 
       275 1 1 1 1  7 GLU HB2  .  7 . HB2  1 1 
       275 1 2 1 1  7 GLU HG2  .  7 . HG2  1 1 
       276 1 1 1 1 10 ASN HA   . 10 . HA   1 1 
       276 1 2 1 1 10 ASN HB2  . 10 . HB2  1 1 
       277 1 1 1 1 11 CYS HA   . 11 . HA   1 1 
       277 1 2 1 1 11 CYS HB2  . 11 . HB2  1 1 
       278 1 1 1 1 11 CYS HA   . 11 . HA   1 1 
       278 1 2 1 1 11 CYS HB3  . 11 . HB1  1 1 
       279 1 1 1 1 13 LYS HA   . 13 . HA   1 1 
       279 1 2 1 1 13 LYS HB2  . 13 . HB2  1 1 
       280 1 1 1 1 13 LYS HA   . 13 . HA   1 1 
       280 1 2 1 1 13 LYS HB3  . 13 . HB1  1 1 
       281 1 1 1 1 13 LYS HA   . 13 . HA   1 1 
       281 1 2 1 1 13 LYS HG3  . 13 . HG1  1 1 
       282 1 1 1 1 14 VAL HA   . 14 . HA   1 1 
       282 1 2 1 1 14 VAL HB   . 14 . HB   1 1 
       283 1 1 1 1 16 LYS HA   . 16 . HA   1 1 
       283 1 2 1 1 16 LYS HB3  . 16 . HB1  1 1 
       284 1 1 1 1 16 LYS HA   . 16 . HA   1 1 
       284 1 2 1 1 16 LYS HB2  . 16 . HB2  1 1 
       285 1 1 1 1 17 TYR HA   . 17 . HA   1 1 
       285 1 2 1 1 17 TYR HB2  . 17 . HB2  1 1 
       286 1 1 1 1 17 TYR HA   . 17 . HA   1 1 
       286 1 2 1 1 17 TYR HB3  . 17 . HB1  1 1 
       287 1 1 1 1 17 TYR HA   . 17 . HA   1 1 
       287 1 2 1 1 17 TYR QD   . 17 . HD1  1 1 
       288 1 1 1 1 17 TYR HB2  . 17 . HB2  1 1 
       288 1 2 1 1 17 TYR QD   . 17 . HD1  1 1 
       289 1 1 1 1 17 TYR HB3  . 17 . HB1  1 1 
       289 1 2 1 1 17 TYR QD   . 17 . HD1  1 1 
       290 1 1 1 1 17 TYR HB3  . 17 . HB1  1 1 
       290 1 2 1 1 17 TYR QE   . 17 . HE1  1 1 
       291 1 1 1 1 18 CYS HA   . 18 . HA   1 1 
       291 1 2 1 1 18 CYS HB2  . 18 . HB2  1 1 
       292 1 1 1 1 18 CYS HA   . 18 . HA   1 1 
       292 1 2 1 1 18 CYS HB3  . 18 . HB1  1 1 
       293 1 1 1 1 19 CYS HA   . 19 . HA   1 1 
       293 1 2 1 1 19 CYS HB3  . 19 . HB1  1 1 
       294 1 1 1 1 19 CYS HA   . 19 . HA   1 1 
       294 1 2 1 1 19 CYS HB2  . 19 . HB2  1 1 
       295 1 1 1 1 20 SER HA   . 20 . HA   1 1 
       295 1 2 1 1 20 SER HB2  . 20 . HB2  1 1 
       296 1 1 1 1 20 SER HA   . 20 . HA   1 1 
       296 1 2 1 1 20 SER HB3  . 20 . HB1  1 1 
       297 1 1 1 1 21 PRO HA   . 21 . HA   1 1 
       297 1 2 1 1 21 PRO HB3  . 21 . HB1  1 1 
       298 1 1 1 1 21 PRO HA   . 21 . HA   1 1 
       298 1 2 1 1 21 PRO HB2  . 21 . HB2  1 1 
       299 1 1 1 1 21 PRO HB3  . 21 . HB1  1 1 
       299 1 2 1 1 21 PRO HG3  . 21 . HG1  1 1 
       300 1 1 1 1 21 PRO HB2  . 21 . HB2  1 1 
       300 1 2 1 1 21 PRO HG2  . 21 . HG2  1 1 
       301 1 1 1 1 21 PRO HD2  . 21 . HD2  1 1 
       301 1 2 1 1 21 PRO HG2  . 21 . HG2  1 1 
       302 1 1 1 1 21 PRO HD2  . 21 . HD2  1 1 
       302 1 2 1 1 21 PRO HG3  . 21 . HG1  1 1 
       303 1 1 1 1 21 PRO HD3  . 21 . HD1  1 1 
       303 1 2 1 1 21 PRO HG3  . 21 . HG1  1 1 
       304 1 1 1 1 22 ILE HA   . 22 . HA   1 1 
       304 1 2 1 1 22 ILE HB   . 22 . HB   1 1 
       305 1 1 1 1 22 ILE HA   . 22 . HA   1 1 
       305 1 2 1 1 22 ILE QG   . 22 . HG12 1 1 
       306 1 1 1 1 24 LYS HA   . 24 . HA   1 1 
       306 1 2 1 1 24 LYS HB2  . 24 . HB2  1 1 
       307 1 1 1 1 24 LYS HA   . 24 . HA   1 1 
       307 1 2 1 1 24 LYS HB3  . 24 . HB1  1 1 
       308 1 1 1 1 25 TYR HA   . 25 . HA   1 1 
       308 1 2 1 1 25 TYR QB   . 25 . HB2  1 1 
       309 1 1 1 1 25 TYR HA   . 25 . HA   1 1 
       309 1 2 1 1 25 TYR QD   . 25 . HD1  1 1 
       310 1 1 1 1 25 TYR HA   . 25 . HA   1 1 
       310 1 2 1 1 25 TYR QE   . 25 . HE1  1 1 
       311 1 1 1 1 26 CYS HA   . 26 . HA   1 1 
       311 1 2 1 1 26 CYS HB3  . 26 . HB1  1 1 
       312 1 1 1 1 26 CYS HA   . 26 . HA   1 1 
       312 1 2 1 1 26 CYS HB2  . 26 . HB2  1 1 
       313 1 1 1 1 27 VAL HA   . 27 . HA   1 1 
       313 1 2 1 1 27 VAL HB   . 27 . HB   1 1 
       314 1 1 1 1 28 CYS HA   . 28 . HA   1 1 
       314 1 2 1 1 28 CYS HB2  . 28 . HB2  1 1 
       315 1 1 1 1 28 CYS HA   . 28 . HA   1 1 
       315 1 2 1 1 28 CYS HB3  . 28 . HB1  1 1 
       316 1 1 1 1 29 TYR HA   . 29 . HA   1 1 
       316 1 2 1 1 29 TYR HB3  . 29 . HB1  1 1 
       317 1 1 1 1 29 TYR HA   . 29 . HA   1 1 
       317 1 2 1 1 29 TYR HB2  . 29 . HB2  1 1 
       318 1 1 1 1 29 TYR HA   . 29 . HA   1 1 
       318 1 2 1 1 29 TYR QD   . 29 . HD1  1 1 
       319 1 1 1 1 29 TYR HB3  . 29 . HB1  1 1 
       319 1 2 1 1 29 TYR QD   . 29 . HD1  1 1 
       320 1 1 1 1 29 TYR HB2  . 29 . HB2  1 1 
       320 1 2 1 1 29 TYR QD   . 29 . HD1  1 1 
       321 1 1 1 1 30 ASP HA   . 30 . HA   1 1 
       321 1 2 1 1 30 ASP HB3  . 30 . HB1  1 1 
       322 1 1 1 1 30 ASP HA   . 30 . HA   1 1 
       322 1 2 1 1 30 ASP HB2  . 30 . HB2  1 1 
       323 1 1 1 1 31 SER HA   . 31 . HA   1 1 
       323 1 2 1 1 31 SER HB3  . 31 . HB1  1 1 
       324 1 1 1 1 31 SER HA   . 31 . HA   1 1 
       324 1 2 1 1 31 SER HB2  . 31 . HB2  1 1 
       325 1 1 1 1 32 LYS HA   . 32 . HA   1 1 
       325 1 2 1 1 32 LYS HB2  . 32 . HB2  1 1 
       326 1 1 1 1 32 LYS HA   . 32 . HA   1 1 
       326 1 2 1 1 32 LYS HB3  . 32 . HB1  1 1 
       327 1 1 1 1 32 LYS HA   . 32 . HA   1 1 
       327 1 2 1 1 32 LYS HG2  . 32 . HG2  1 1 
       328 1 1 1 1 32 LYS HA   . 32 . HA   1 1 
       328 1 2 1 1 32 LYS HG3  . 32 . HG1  1 1 
       329 1 1 1 1 34 ILE HA   . 34 . HA   1 1 
       329 1 2 1 1 34 ILE HB   . 34 . HB   1 1 
       330 1 1 1 1 34 ILE HA   . 34 . HA   1 1 
       330 1 2 1 1 34 ILE QG   . 34 . HG12 1 1 
       331 1 1 1 1 36 ASN HA   . 36 . HA   1 1 
       331 1 2 1 1 36 ASN QB   . 36 . HB2  1 1 
       332 1 1 1 1 37 LYS HA   . 37 . HA   1 1 
       332 1 2 1 1 37 LYS QB   . 37 . HB2  1 1 
       333 1 1 1 1 37 LYS HA   . 37 . HA   1 1 
       333 1 2 1 1 37 LYS QD   . 37 . HD2  1 1 
       334 1 1 1 1 37 LYS HA   . 37 . HA   1 1 
       334 1 2 1 1 37 LYS QE   . 37 . HE2  1 1 
       335 1 1 1 1 38 ASN HA   . 38 . HA   1 1 
       335 1 2 1 1 38 ASN HB2  . 38 . HB2  1 1 
       336 1 1 1 1 38 ASN HA   . 38 . HA   1 1 
       336 1 2 1 1 38 ASN HB3  . 38 . HB1  1 1 
       337 1 1 1 1 39 CYS HA   . 39 . HA   1 1 
       337 1 2 1 1 39 CYS HB3  . 39 . HB1  1 1 
       338 1 1 1 1 31 SER H    . 31 . HN   1 1 
       338 1 2 1 1 33 ALA MB   . 33 . HB2  1 1 
       339 1 1 1 1 33 ALA MB   . 33 . HB2  1 1 
       339 1 2 1 1 34 ILE H    . 34 . HN   1 1 
       340 1 1 1 1  9 THR MG   .  9 . HG22 1 1 
       340 1 2 1 1 10 ASN H    . 10 . HN   1 1 
       341 1 1 1 1 14 VAL MG2  . 14 . HG21 1 1 
       341 1 2 1 1 15 GLY H    . 15 . HN   1 1 
       342 1 1 1 1 14 VAL MG1  . 14 . HG11 1 1 
       342 1 2 1 1 15 GLY H    . 15 . HN   1 1 
       343 1 1 1 1 22 ILE MG   . 22 . HG21 1 1 
       343 1 2 1 1 23 GLY H    . 23 . HN   1 1 
       344 1 1 1 1 27 VAL QG   . 27 . HG11 1 1 
       344 1 2 1 1 28 CYS H    . 28 . HN   1 1 
       345 1 1 1 1 27 VAL QG   . 27 . HG11 1 1 
       345 1 2 1 1 39 CYS H    . 39 . HN   1 1 
       346 1 1 1 1 30 ASP H    . 30 . HN   1 1 
       346 1 2 1 1 34 ILE MD   . 34 . HD11 1 1 
       347 1 1 1 1 31 SER H    . 31 . HN   1 1 
       347 1 2 1 1 34 ILE MD   . 34 . HD11 1 1 
       348 1 1 1 1 34 ILE MD   . 34 . HD11 1 1 
       348 1 2 1 1 35 CYS H    . 35 . HN   1 1 
       349 1 1 1 1 34 ILE MD   . 34 . HD11 1 1 
       349 1 2 1 1 38 ASN H    . 38 . HN   1 1 
       350 1 1 1 1 29 TYR QE   . 29 . HE1  1 1 
       350 1 2 1 1 34 ILE MD   . 34 . HD11 1 1 
       351 1 1 1 1  4 LEU H    .  4 . HN   1 1 
       351 1 2 1 1  4 LEU MD1  .  4 . HD11 1 1 
       352 1 1 1 1  9 THR H    .  9 . HN   1 1 
       352 1 2 1 1  9 THR MG   .  9 . HG22 1 1 
       353 1 1 1 1 14 VAL H    . 14 . HN   1 1 
       353 1 2 1 1 14 VAL MG2  . 14 . HG21 1 1 
       354 1 1 1 1 14 VAL H    . 14 . HN   1 1 
       354 1 2 1 1 14 VAL MG1  . 14 . HG11 1 1 
       355 1 1 1 1 22 ILE H    . 22 . HN   1 1 
       355 1 2 1 1 22 ILE MG   . 22 . HG21 1 1 
       356 1 1 1 1 33 ALA H    . 33 . HN   1 1 
       356 1 2 1 1 33 ALA MB   . 33 . HB2  1 1 
       357 1 1 1 1 34 ILE H    . 34 . HN   1 1 
       357 1 2 1 1 34 ILE MD   . 34 . HD11 1 1 
       358 1 1 1 1 40 THR H    . 40 . HN   1 1 
       358 1 2 1 1 40 THR MG   . 40 . HG21 1 1 
       359 1 1 1 1 19 CYS H    . 19 . HN   1 1 
       359 1 2 1 1 27 VAL QG   . 27 . HG11 1 1 
       360 1 1 1 1 34 ILE MG   . 34 . HG22 1 1 
       360 1 2 1 1 35 CYS H    . 35 . HN   1 1 
       361 1 1 1 1 34 ILE H    . 34 . HN   1 1 
       361 1 2 1 1 34 ILE MG   . 34 . HG22 1 1 
       362 1 1 1 1  4 LEU MD1  .  4 . HD11 1 1 
       362 1 2 1 1 21 PRO HA   . 21 . HA   1 1 
       363 1 1 1 1  4 LEU MD1  .  4 . HD11 1 1 
       363 1 2 1 1 21 PRO HB3  . 21 . HB1  1 1 
       364 1 1 1 1 39 CYS HB2  . 39 . HB2  1 1 
       364 1 2 1 1 40 THR MG   . 40 . HG21 1 1 
       365 1 1 1 1 22 ILE MG   . 22 . HG21 1 1 
       365 1 2 1 1 25 TYR QD   . 25 . HD1  1 1 
       366 1 1 1 1 27 VAL QG   . 27 . HG21 1 1 
       366 1 2 1 1 29 TYR QD   . 29 . HD1  1 1 
       367 1 1 1 1 29 TYR QD   . 29 . HD1  1 1 
       367 1 2 1 1 34 ILE MD   . 34 . HD11 1 1 
       368 1 1 1 1 27 VAL QG   . 27 . HG21 1 1 
       368 1 2 1 1 29 TYR QE   . 29 . HE1  1 1 
       369 1 1 1 1  4 LEU HA   .  4 . HA   1 1 
       369 1 2 1 1  4 LEU MD2  .  4 . HD21 1 1 
       370 1 1 1 1  9 THR HA   .  9 . HA   1 1 
       370 1 2 1 1  9 THR MG   .  9 . HG22 1 1 
       371 1 1 1 1 14 VAL HA   . 14 . HA   1 1 
       371 1 2 1 1 14 VAL MG2  . 14 . HG21 1 1 
       372 1 1 1 1 14 VAL HA   . 14 . HA   1 1 
       372 1 2 1 1 14 VAL MG1  . 14 . HG11 1 1 
       373 1 1 1 1 22 ILE HA   . 22 . HA   1 1 
       373 1 2 1 1 22 ILE MG   . 22 . HG21 1 1 
       374 1 1 1 1 22 ILE HA   . 22 . HA   1 1 
       374 1 2 1 1 22 ILE MD   . 22 . HD11 1 1 
       375 1 1 1 1 27 VAL HA   . 27 . HA   1 1 
       375 1 2 1 1 27 VAL QG   . 27 . HG11 1 1 
       376 1 1 1 1 33 ALA HA   . 33 . HA   1 1 
       376 1 2 1 1 33 ALA MB   . 33 . HB2  1 1 
       377 1 1 1 1 34 ILE HA   . 34 . HA   1 1 
       377 1 2 1 1 34 ILE MG   . 34 . HG22 1 1 
       378 1 1 1 1 34 ILE HA   . 34 . HA   1 1 
       378 1 2 1 1 34 ILE MD   . 34 . HD11 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 . . . . . 3.8728 2.9821 4.7635 1 1 
         2 1 . . . . . 4.1382 3.1864   5.09 1 1 
         3 1 . . . . . 1.9886    1.7  2.446 1 1 
         4 1 . . . . .   2.49 1.9173 3.0627 1 1 
         5 1 . . . . . 2.1947    1.7 2.6995 1 1 
         6 1 . . . . . 2.6277 2.0233 3.2321 1 1 
         7 1 . . . . . 2.3158 1.7832 2.8484 1 1 
         8 1 . . . . . 3.1463 2.4226   3.87 1 1 
         9 1 . . . . . 2.9142 2.2439 3.5845 1 1 
        10 1 . . . . . 3.0066 2.3151 3.6981 1 1 
        11 1 . . . . . 2.2781 1.7541 2.8021 1 1 
        12 1 . . . . . 2.7856 2.1449 3.4263 1 1 
        13 1 . . . . . 3.2968 2.5385 4.0551 1 1 
        14 1 . . . . . 2.6808 2.0642 3.2974 1 1 
        15 1 . . . . . 2.5434 1.9584 3.1284 1 1 
        16 1 . . . . . 2.2881 1.7618 2.8144 1 1 
        17 1 . . . . . 3.2737 2.5207 4.0267 1 1 
        18 1 . . . . . 2.2283 1.7158 2.7408 1 1 
        19 1 . . . . . 2.6977 2.0772 3.3182 1 1 
        20 1 . . . . . 3.1754  2.445 3.9058 1 1 
        21 1 . . . . . 2.2521 1.7341 2.7701 1 1 
        22 1 . . . . . 2.4775 1.9077 3.0473 1 1 
        23 1 . . . . . 2.1742    1.7 2.6743 1 1 
        24 1 . . . . .  4.179 3.2178 5.1402 1 1 
        25 1 . . . . . 2.4242 1.8666 2.9818 1 1 
        26 1 . . . . . 2.1614    1.7 2.6585 1 1 
        27 1 . . . . . 3.7502 2.8876 4.6128 1 1 
        28 1 . . . . . 3.0963 2.3842 3.8084 1 1 
        29 1 . . . . . 2.3183 1.7851 2.8515 1 1 
        30 1 . . . . . 2.6829 2.0658    3.3 1 1 
        31 1 . . . . . 2.3753  1.829 2.9216 1 1 
        32 1 . . . . . 2.8081 2.1622  3.454 1 1 
        33 1 . . . . . 2.3369 1.7994 2.8744 1 1 
        34 1 . . . . . 3.2768 2.5231 4.0305 1 1 
        35 1 . . . . . 2.8039  2.159 3.4488 1 1 
        36 1 . . . . . 3.0764 2.3688  3.784 1 1 
        37 1 . . . . . 4.1605 3.2036 5.1174 1 1 
        38 1 . . . . . 3.3291 2.5634 4.0948 1 1 
        39 1 . . . . . 2.7866 2.1457 3.4275 1 1 
        40 1 . . . . . 3.2171 2.4772  3.957 1 1 
        41 1 . . . . . 3.4676   2.67 4.2652 1 1 
        42 1 . . . . . 4.0659 3.1307 5.0011 1 1 
        43 1 . . . . . 3.4218 2.6348 4.2088 1 1 
        44 1 . . . . . 4.0871 3.1471 5.0271 1 1 
        45 1 . . . . . 3.7978 2.9243 4.6713 1 1 
        46 1 . . . . . 3.9162 3.0155 4.8169 1 1 
        47 1 . . . . . 3.5213 2.7114 4.3312 1 1 
        48 1 . . . . . 3.1932 2.4588 3.9276 1 1 
        49 1 . . . . . 3.2555 2.5067 4.0043 1 1 
        50 1 . . . . . 4.1688   3.21 5.1276 1 1 
        51 1 . . . . . 3.5742 2.7521 4.3963 1 1 
        52 1 . . . . . 3.1783 2.4473 3.9093 1 1 
        53 1 . . . . . 3.8782 2.9862 4.7702 1 1 
        54 1 . . . . . 3.7968 2.9235 4.6701 1 1 
        55 1 . . . . . 3.7287 2.8711 4.5863 1 1 
        56 1 . . . . . 3.4958 2.6918 4.2998 1 1 
        57 1 . . . . . 2.6584  2.047 3.2698 1 1 
        58 1 . . . . . 2.1417    1.7 2.6343 1 1 
        59 1 . . . . . 2.9236 2.2512  3.596 1 1 
        60 1 . . . . . 3.4696 2.6716 4.2676 1 1 
        61 1 . . . . . 3.0738 2.3668 3.7808 1 1 
        62 1 . . . . . 3.6445 2.8063 4.4827 1 1 
        63 1 . . . . . 2.3457 1.8062 2.8852 1 1 
        64 1 . . . . . 4.4743 3.4452 5.5034 1 1 
        65 1 . . . . . 2.4671 1.8997 3.0345 1 1 
        66 1 . . . . . 2.5362 1.9529 3.1195 1 1 
        67 1 . . . . . 2.0363    1.7 2.5047 1 1 
        68 1 . . . . . 3.8192 2.9408 4.6976 1 1 
        69 1 . . . . . 3.5075 2.7008 4.3142 1 1 
        70 1 . . . . . 2.9353 2.2602 3.6104 1 1 
        71 1 . . . . . 4.0357 3.1075 4.9639 1 1 
        72 1 . . . . . 4.3408 3.3424 5.3392 1 1 
        73 1 . . . . . 3.4566 2.6616 4.2516 1 1 
        74 1 . . . . . 3.6353 2.7992 4.4714 1 1 
        75 1 . . . . . 4.2433 3.2673 5.2193 1 1 
        76 1 . . . . . 4.7274 3.6401 5.8147 1 1 
        77 1 . . . . . 5.0442  3.884 6.2044 1 1 
        78 1 . . . . . 5.7389 4.4189 7.0589 1 1 
        79 1 . . . . . 2.9124 2.2425 3.5823 1 1 
        80 1 . . . . .  3.319 2.5556 4.0824 1 1 
        81 1 . . . . . 4.3892 3.3797 5.3987 1 1 
        82 1 . . . . . 4.2791 3.2949 5.2633 1 1 
        83 1 . . . . . 5.6158 4.3242 6.9074 1 1 
        84 1 . . . . . 4.3475 3.3476 5.3474 1 1 
        85 1 . . . . . 5.3616 4.1284 6.5948 1 1 
        86 1 . . . . . 2.5957 1.9987 3.1927 1 1 
        87 1 . . . . .  2.706 2.0836 3.3284 1 1 
        88 1 . . . . . 3.1761 2.4456 3.9066 1 1 
        89 1 . . . . . 3.0684 2.3627 3.7741 1 1 
        90 1 . . . . . 3.4134 2.6283 4.1985 1 1 
        91 1 . . . . . 2.5186 1.9393 3.0979 1 1 
        92 1 . . . . . 3.5855 2.7608 4.4102 1 1 
        93 1 . . . . . 2.5013  1.926 3.0766 1 1 
        94 1 . . . . . 1.8898    1.7 2.3244 1 1 
        95 1 . . . . . 3.0836 2.3744 3.7928 1 1 
        96 1 . . . . . 2.3988 1.8471 2.9505 1 1 
        97 1 . . . . . 2.7015 2.0802 3.3228 1 1 
        98 1 . . . . . 2.3433 1.8043 2.8823 1 1 
        99 1 . . . . . 3.3228 2.5585 4.0871 1 1 
       100 1 . . . . . 2.5564 1.9684 3.1444 1 1 
       101 1 . . . . . 2.2776 1.7537 2.8015 1 1 
       102 1 . . . . . 2.2402  1.725 2.7554 1 1 
       103 1 . . . . .  3.873 2.9822 4.7638 1 1 
       104 1 . . . . . 3.0027 2.3121 3.6933 1 1 
       105 1 . . . . . 2.2769 1.7532 2.8006 1 1 
       106 1 . . . . . 2.2885 1.7622 2.8148 1 1 
       107 1 . . . . . 2.5829 1.9888  3.177 1 1 
       108 1 . . . . . 2.9418 2.2652 3.6184 1 1 
       109 1 . . . . . 2.1648    1.7 2.6627 1 1 
       110 1 . . . . . 4.1793 3.2181 5.1405 1 1 
       111 1 . . . . . 2.6236 2.0202  3.227 1 1 
       112 1 . . . . .  3.856 2.9691 4.7429 1 1 
       113 1 . . . . . 2.5666 1.9763 3.1569 1 1 
       114 1 . . . . . 2.8399 2.1867 3.4931 1 1 
       115 1 . . . . . 3.9793 3.0641 4.8945 1 1 
       116 1 . . . . . 2.7673 2.1308 3.4038 1 1 
       117 1 . . . . . 3.7379 2.8782 4.5976 1 1 
       118 1 . . . . . 3.1087 2.3937 3.8237 1 1 
       119 1 . . . . . 3.2593 2.5097 4.0089 1 1 
       120 1 . . . . . 5.0691 3.9032  6.235 1 1 
       121 1 . . . . . 2.8315 2.1803 3.4827 1 1 
       122 1 . . . . . 3.1508 2.4261 3.8755 1 1 
       123 1 . . . . . 2.5513 1.9645 3.1381 1 1 
       124 1 . . . . . 3.8617 2.9735 4.7499 1 1 
       125 1 . . . . . 2.6305 2.0255 3.2355 1 1 
       126 1 . . . . .  3.891 2.9961 4.7859 1 1 
       127 1 . . . . . 5.8574 4.5102 7.2046 1 1 
       128 1 . . . . . 2.4863 1.9145 3.0581 1 1 
       129 1 . . . . . 2.5086 1.9316 3.0856 1 1 
       130 1 . . . . . 3.6552 2.8145 4.4959 1 1 
       131 1 . . . . . 3.3031 2.5434 4.0628 1 1 
       132 1 . . . . . 3.0033 2.3125 3.6941 1 1 
       133 1 . . . . . 2.8983 2.2317 3.5649 1 1 
       134 1 . . . . . 2.2878 1.7616  2.814 1 1 
       135 1 . . . . . 3.8345 2.9526 4.7164 1 1 
       136 1 . . . . . 3.8522 2.9662 4.7382 1 1 
       137 1 . . . . . 2.8592 2.2016 3.5168 1 1 
       138 1 . . . . . 2.9219 2.2499 3.5939 1 1 
       139 1 . . . . . 3.6869 2.8389 4.5349 1 1 
       140 1 . . . . . 2.1012    1.7 2.5845 1 1 
       141 1 . . . . . 3.0358 2.3376  3.734 1 1 
       142 1 . . . . .  2.901 2.2338 3.5682 1 1 
       143 1 . . . . . 2.4721 1.9035 3.0407 1 1 
       144 1 . . . . . 2.3987  1.847 2.9504 1 1 
       145 1 . . . . . 1.7886    1.7    2.2 1 1 
       146 1 . . . . . 2.5199 1.9403 3.0995 1 1 
       147 1 . . . . . 2.8638 2.2051 3.5225 1 1 
       148 1 . . . . .  2.656 2.0451 3.2669 1 1 
       149 1 . . . . . 3.4021 2.6196 4.1846 1 1 
       150 1 . . . . . 2.9436 2.2666 3.6206 1 1 
       151 1 . . . . . 2.5796 1.9863 3.1729 1 1 
       152 1 . . . . . 1.7926    1.7 2.2049 1 1 
       153 1 . . . . . 3.2607 2.5107 4.0107 1 1 
       154 1 . . . . . 2.0147    1.7 2.4781 1 1 
       155 1 . . . . . 2.5566 1.9686 3.1446 1 1 
       156 1 . . . . . 2.2727   1.75 2.7954 1 1 
       157 1 . . . . .  3.954 3.0446 4.8634 1 1 
       158 1 . . . . .  3.638 2.8013 4.4747 1 1 
       159 1 . . . . . 2.8899 2.2252 3.5546 1 1 
       160 1 . . . . . 4.6156  3.554 5.6772 1 1 
       161 1 . . . . . 4.7462 3.6546 5.8378 1 1 
       162 1 . . . . . 2.8789 2.2168  3.541 1 1 
       163 1 . . . . . 4.0455  3.115  4.976 1 1 
       164 1 . . . . . 4.4969 3.4626 5.5312 1 1 
       165 1 . . . . . 4.1126 3.1667 5.0585 1 1 
       166 1 . . . . . 3.9053 3.0071 4.8035 1 1 
       167 1 . . . . . 4.8831   3.76 6.0062 1 1 
       168 1 . . . . . 3.7285 2.8709 4.5861 1 1 
       169 1 . . . . . 3.5574 2.7392 4.3756 1 1 
       170 1 . . . . . 4.0369 3.1084 4.9654 1 1 
       171 1 . . . . . 3.1209 2.4031 3.8387 1 1 
       172 1 . . . . . 2.9167 2.2459 3.5875 1 1 
       173 1 . . . . . 3.4353 2.6452 4.2254 1 1 
       174 1 . . . . . 3.3567 2.5847 4.1287 1 1 
       175 1 . . . . . 3.1398 2.4176  3.862 1 1 
       176 1 . . . . . 3.6866 2.8387 4.5345 1 1 
       177 1 . . . . .  2.861  2.203  3.519 1 1 
       178 1 . . . . . 3.0122 2.3194  3.705 1 1 
       179 1 . . . . . 3.3643 2.5905 4.1381 1 1 
       180 1 . . . . . 2.8106 2.1642  3.457 1 1 
       181 1 . . . . . 4.4443 3.4221 5.4665 1 1 
       182 1 . . . . . 4.0377  3.109 4.9664 1 1 
       183 1 . . . . . 3.8603 2.9724 4.7482 1 1 
       184 1 . . . . . 3.1319 2.4116 3.8522 1 1 
       185 1 . . . . .  3.583 2.7589 4.4071 1 1 
       186 1 . . . . . 3.6708 2.8265 4.5151 1 1 
       187 1 . . . . . 3.5499 2.7334 4.3664 1 1 
       188 1 . . . . . 3.4509 2.6572 4.2446 1 1 
       189 1 . . . . . 4.0742 3.1371 5.0113 1 1 
       190 1 . . . . . 2.9835 2.2973 3.6697 1 1 
       191 1 . . . . . 4.5385 3.4946 5.5824 1 1 
       192 1 . . . . . 3.6328 2.7973 4.4683 1 1 
       193 1 . . . . . 4.7162 3.6315 5.8009 1 1 
       194 1 . . . . .  3.711 2.8575 4.5645 1 1 
       195 1 . . . . . 4.3564 3.3544 5.3584 1 1 
       196 1 . . . . . 3.2882 2.5319 4.0445 1 1 
       197 1 . . . . . 5.0247  3.869 6.1804 1 1 
       198 1 . . . . . 2.7824 2.1425 3.4223 1 1 
       199 1 . . . . . 3.9714  3.058 4.8848 1 1 
       200 1 . . . . .  2.605 2.0059 3.2041 1 1 
       201 1 . . . . .  3.888 2.9938 4.7822 1 1 
       202 1 . . . . . 3.8038 2.9289 4.6787 1 1 
       203 1 . . . . . 3.6437 2.8056 4.4818 1 1 
       204 1 . . . . . 4.6385 3.5717 5.7053 1 1 
       205 1 . . . . . 3.0321 2.3347 3.7295 1 1 
       206 1 . . . . . 3.3104  2.549 4.0718 1 1 
       207 1 . . . . . 4.2489 3.2716 5.2262 1 1 
       208 1 . . . . . 6.3164 4.8636 7.7692 1 1 
       209 1 . . . . .  4.977 3.8323 6.1217 1 1 
       210 1 . . . . . 5.2522 4.0442 6.4602 1 1 
       211 1 . . . . . 5.5922  4.306 6.8784 1 1 
       212 1 . . . . . 4.9423 3.8056  6.079 1 1 
       213 1 . . . . . 3.8321 2.9507 4.7135 1 1 
       214 1 . . . . . 2.9481   2.27 3.6262 1 1 
       215 1 . . . . . 3.9796 3.0643 4.8949 1 1 
       216 1 . . . . . 3.2838 2.5285 4.0391 1 1 
       217 1 . . . . . 5.0825 3.9135 6.2515 1 1 
       218 1 . . . . . 2.5723 1.9807 3.1639 1 1 
       219 1 . . . . . 3.8868 2.9928 4.7808 1 1 
       220 1 . . . . . 3.1696 2.4406 3.8986 1 1 
       221 1 . . . . .  2.581 1.9874 3.1746 1 1 
       222 1 . . . . . 3.4662  2.669 4.2634 1 1 
       223 1 . . . . . 5.8172 4.4792 7.1552 1 1 
       224 1 . . . . .  3.096 2.3839 3.8081 1 1 
       225 1 . . . . .  2.553 1.9658 3.1402 1 1 
       226 1 . . . . . 3.8343 2.9524 4.7162 1 1 
       227 1 . . . . . 3.7821 2.9122  4.652 1 1 
       228 1 . . . . . 3.6544 2.8139 4.4949 1 1 
       229 1 . . . . . 2.4995 1.9246 3.0744 1 1 
       230 1 . . . . . 2.3279 1.7925 2.8633 1 1 
       231 1 . . . . . 2.4346 1.8747 2.9945 1 1 
       232 1 . . . . . 3.7639 2.8982 4.6296 1 1 
       233 1 . . . . . 3.2053 2.4681 3.9425 1 1 
       234 1 . . . . .  2.797 2.1537 3.4403 1 1 
       235 1 . . . . . 4.8406 3.7273 5.9539 1 1 
       236 1 . . . . . 4.3072 3.3165 5.2979 1 1 
       237 1 . . . . .  6.266 4.8248 7.7072 1 1 
       238 1 . . . . . 5.0122 3.8594  6.165 1 1 
       239 1 . . . . . 2.3821 1.8342   2.93 1 1 
       240 1 . . . . . 2.1872    1.7 2.6902 1 1 
       241 1 . . . . . 2.7012 2.0799 3.3225 1 1 
       242 1 . . . . . 2.9243 2.2517 3.5969 1 1 
       243 1 . . . . . 1.9922    1.7 2.4504 1 1 
       244 1 . . . . . 4.2977 3.3092 5.2862 1 1 
       245 1 . . . . . 3.1095 2.3943 3.8247 1 1 
       246 1 . . . . .   3.01 2.3177 3.7023 1 1 
       247 1 . . . . . 5.0188 3.8645 6.1731 1 1 
       248 1 . . . . . 1.7939    1.7 2.2065 1 1 
       249 1 . . . . . 2.4033 1.8505 2.9561 1 1 
       250 1 . . . . . 3.0309 2.3338  3.728 1 1 
       251 1 . . . . . 2.3735 1.8276 2.9194 1 1 
       252 1 . . . . . 2.7544 2.1209 3.3879 1 1 
       253 1 . . . . . 2.0893    1.7 2.5698 1 1 
       254 1 . . . . . 4.2618 3.2816  5.242 1 1 
       255 1 . . . . . 3.2286  2.486 3.9712 1 1 
       256 1 . . . . . 2.8538 2.1974 3.5102 1 1 
       257 1 . . . . . 4.5776 3.5248 5.6304 1 1 
       258 1 . . . . . 2.9956 2.3066 3.6846 1 1 
       259 1 . . . . . 2.8892 2.2247 3.5537 1 1 
       260 1 . . . . . 2.2251 1.7133 2.7369 1 1 
       261 1 . . . . .   2.78 2.1406 3.4194 1 1 
       262 1 . . . . . 2.3434 1.8044 2.8824 1 1 
       263 1 . . . . . 2.3703 1.8251 2.9155 1 1 
       264 1 . . . . . 4.1536 3.1983 5.1089 1 1 
       265 1 . . . . .  2.531 1.9489 3.1131 1 1 
       266 1 . . . . . 2.4678 1.9002 3.0354 1 1 
       267 1 . . . . . 4.5132 3.4752 5.5512 1 1 
       268 1 . . . . .  5.144 3.9609 6.3271 1 1 
       269 1 . . . . . 2.5348 1.9518 3.1178 1 1 
       270 1 . . . . . 2.3663  1.822 2.9106 1 1 
       271 1 . . . . . 4.1842 3.2218 5.1466 1 1 
       272 1 . . . . . 3.5899 2.7642 4.4156 1 1 
       273 1 . . . . . 2.6378 2.0311 3.2445 1 1 
       274 1 . . . . . 2.9604 2.2795 3.6413 1 1 
       275 1 . . . . . 2.9011 2.2339 3.5683 1 1 
       276 1 . . . . . 2.2439 1.7278   2.76 1 1 
       277 1 . . . . . 3.1739 2.4439 3.9039 1 1 
       278 1 . . . . . 2.7179 2.0928  3.343 1 1 
       279 1 . . . . . 2.3505 1.8099 2.8911 1 1 
       280 1 . . . . . 2.1749    1.7 2.6751 1 1 
       281 1 . . . . . 3.4583 2.6629 4.2537 1 1 
       282 1 . . . . . 2.7995 2.1556 3.4434 1 1 
       283 1 . . . . . 2.1096    1.7 2.5948 1 1 
       284 1 . . . . . 2.6645 2.0517 3.2773 1 1 
       285 1 . . . . . 3.3236 2.5592  4.088 1 1 
       286 1 . . . . . 2.0745    1.7 2.5516 1 1 
       287 1 . . . . . 2.9725 2.2888 3.6562 1 1 
       288 1 . . . . . 2.9327 2.2582 3.6072 1 1 
       289 1 . . . . . 2.4626 1.8962  3.029 1 1 
       290 1 . . . . . 4.7442  3.653 5.8354 1 1 
       291 1 . . . . . 3.2922  2.535 4.0494 1 1 
       292 1 . . . . . 2.6488 2.0396  3.258 1 1 
       293 1 . . . . . 2.3309 1.7948  2.867 1 1 
       294 1 . . . . . 2.8432 2.1893 3.4971 1 1 
       295 1 . . . . . 2.8339 2.1821 3.4857 1 1 
       296 1 . . . . . 2.5334 1.9507 3.1161 1 1 
       297 1 . . . . . 2.3314 1.7952 2.8676 1 1 
       298 1 . . . . . 2.9304 2.2564 3.6044 1 1 
       299 1 . . . . . 2.3083 1.7774 2.8392 1 1 
       300 1 . . . . . 2.7189 2.0936 3.3442 1 1 
       301 1 . . . . . 2.1191    1.7 2.6065 1 1 
       302 1 . . . . .   3.28 2.5256 4.0344 1 1 
       303 1 . . . . . 2.3216 1.7876 2.8556 1 1 
       304 1 . . . . .  2.709 2.0859 3.3321 1 1 
       305 1 . . . . . 3.2458 2.4993 3.9923 1 1 
       306 1 . . . . . 2.2905 1.7637 2.8173 1 1 
       307 1 . . . . .   2.32 1.7864 2.8536 1 1 
       308 1 . . . . . 2.5836 1.9894 3.1778 1 1 
       309 1 . . . . . 3.1508 2.4261 3.8755 1 1 
       310 1 . . . . . 4.8565 3.7395 5.9735 1 1 
       311 1 . . . . . 3.4566 2.6616 4.2516 1 1 
       312 1 . . . . . 2.7363 2.1069 3.3657 1 1 
       313 1 . . . . . 3.0498 2.3484 3.7512 1 1 
       314 1 . . . . . 2.9664 2.2841 3.6487 1 1 
       315 1 . . . . . 2.6204 2.0177 3.2231 1 1 
       316 1 . . . . . 2.2054    1.7 2.7126 1 1 
       317 1 . . . . . 2.6899 2.0712 3.3086 1 1 
       318 1 . . . . . 3.3487 2.5785 4.1189 1 1 
       319 1 . . . . . 2.5153 1.9368 3.0938 1 1 
       320 1 . . . . . 2.4531 1.8889 3.0173 1 1 
       321 1 . . . . .  2.459 1.8934 3.0246 1 1 
       322 1 . . . . . 2.0436    1.7 2.5136 1 1 
       323 1 . . . . . 2.2293 1.7166  2.742 1 1 
       324 1 . . . . . 2.6064 2.0069 3.2059 1 1 
       325 1 . . . . . 2.6759 2.0604 3.2914 1 1 
       326 1 . . . . . 2.8756 2.2142  3.537 1 1 
       327 1 . . . . . 3.8385 2.9556 4.7214 1 1 
       328 1 . . . . . 3.5483 2.7322 4.3644 1 1 
       329 1 . . . . . 2.5389 1.9549 3.1229 1 1 
       330 1 . . . . . 2.4379 1.8772 2.9986 1 1 
       331 1 . . . . . 2.8337 2.1819 3.4855 1 1 
       332 1 . . . . . 2.6879 2.0697 3.3061 1 1 
       333 1 . . . . . 3.4162 2.6305 4.2019 1 1 
       334 1 . . . . . 6.2125 4.7836 7.6414 1 1 
       335 1 . . . . . 2.5398 1.9557 3.1239 1 1 
       336 1 . . . . . 2.2478 1.7308 2.7648 1 1 
       337 1 . . . . . 2.5367 1.9533 3.1201 1 1 
       338 1 . . . . . 6.6198 5.0973 8.1423 1 1 
       339 1 . . . . . 2.7138 2.0896  3.338 1 1 
       340 1 . . . . . 5.0241 3.8685 6.1797 1 1 
       341 1 . . . . . 5.8227 4.4835 7.1619 1 1 
       342 1 . . . . . 3.9859 3.0691 4.9027 1 1 
       343 1 . . . . . 3.0755 2.3681 3.7829 1 1 
       344 1 . . . . . 3.5309 2.7188  4.343 1 1 
       345 1 . . . . . 5.4788 4.2187 6.7389 1 1 
       346 1 . . . . . 4.2474 3.2705 5.2243 1 1 
       347 1 . . . . . 3.3261 2.5611 4.0911 1 1 
       348 1 . . . . . 5.1771 3.9864 6.3678 1 1 
       349 1 . . . . .  4.926  3.793  6.059 1 1 
       350 1 . . . . . 5.5476 4.2717 6.8235 1 1 
       351 1 . . . . .  4.388 3.3788 5.3972 1 1 
       352 1 . . . . . 4.8824 3.7594 6.0054 1 1 
       353 1 . . . . . 3.0782 2.3702 3.7862 1 1 
       354 1 . . . . . 4.7069 3.6243 5.7895 1 1 
       355 1 . . . . . 3.2527 2.5046 4.0008 1 1 
       356 1 . . . . . 2.6207 2.0179 3.2235 1 1 
       357 1 . . . . . 4.3418 3.3432 5.3404 1 1 
       358 1 . . . . . 3.8964 3.0002 4.7926 1 1 
       359 1 . . . . .  5.092 4.2526 6.2632 1 1 
       360 1 . . . . . 4.3636   3.36 5.3672 1 1 
       361 1 . . . . . 4.0241 3.0986 4.9496 1 1 
       362 1 . . . . . 4.2918 3.3047 5.2789 1 1 
       363 1 . . . . . 4.2541 3.2757 5.2325 1 1 
       364 1 . . . . . 3.8931 2.9977 4.7885 1 1 
       365 1 . . . . . 5.2215 4.0206 6.4224 1 1 
       366 1 . . . . . 6.8735 5.2926 8.4544 1 1 
       367 1 . . . . . 4.5623  3.513 5.6116 1 1 
       368 1 . . . . . 6.6892 5.1507 8.2277 1 1 
       369 1 . . . . . 3.2375 2.4929 3.9821 1 1 
       370 1 . . . . . 3.2575 2.5083 4.0067 1 1 
       371 1 . . . . . 2.9839 2.2976 3.6702 1 1 
       372 1 . . . . . 3.2663  2.515 4.0176 1 1 
       373 1 . . . . . 3.3679 2.5933 4.1425 1 1 
       374 1 . . . . . 5.3727  4.137 6.6084 1 1 
       375 1 . . . . . 2.7746 2.2607 3.4128 1 1 
       376 1 . . . . . 2.8477 2.1927 3.5027 1 1 
       377 1 . . . . . 3.0997 2.3868 3.8126 1 1 
       378 1 . . . . .   3.67 2.8259 4.5141 1 1 
    stop_

save_


save_CNS/XPLOR_distance_constraints_3_1
    _Distance_constraint_list.Sf_category         distance_constraints
    _Distance_constraint_list.Entry_ID            1
    _Distance_constraint_list.ID                  2
    _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 2 
        2 1 . . . 1 2 
        3 1 . . . 1 2 
        4 1 . . . 1 2 
        5 1 . . . 1 2 
        6 1 . . . 1 2 
        7 1 . . . 1 2 
        8 1 . . . 1 2 
        9 1 . . . 1 2 
       10 1 . . . 1 2 
       11 1 . . . 1 2 
       12 1 . . . 1 2 
       13 1 . . . 1 2 
       14 1 . . . 1 2 
       15 1 . . . 1 2 
       16 1 . . . 1 2 
       17 1 . . . 1 2 
       18 1 . . . 1 2 
       19 1 . . . 1 2 
       20 1 . . . 1 2 
       21 1 . . . 1 2 
       22 1 . . . 1 2 
       23 1 . . . 1 2 
       24 1 . . . 1 2 
       25 1 . . . 1 2 
       26 1 . . . 1 2 
    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 23 GLY H   . 23 . HN   1 2 
        1 1 2 1 1 25 TYR H   . 25 . HN   1 2 
        2 1 1 1 1 32 LYS H   . 32 . HN   1 2 
        2 1 2 1 1 35 CYS H   . 35 . HN   1 2 
        3 1 1 1 1 11 CYS HA  . 11 . HA   1 2 
        3 1 2 1 1 12 GLY H   . 12 . HN   1 2 
        4 1 1 1 1 39 CYS HA  . 39 . HA   1 2 
        4 1 2 1 1 40 THR H   . 40 . HN   1 2 
        5 1 1 1 1 33 ALA HA  . 33 . HA   1 2 
        5 1 2 1 1 35 CYS H   . 35 . HN   1 2 
        6 1 1 1 1 13 LYS HB3 . 13 . HB1  1 2 
        6 1 2 1 1 16 LYS H   . 16 . HN   1 2 
        7 1 1 1 1 21 PRO QB  . 21 . HB#  1 2 
        7 1 2 1 1 22 ILE H   . 22 . HN   1 2 
        8 1 1 1 1 34 ILE H   . 34 . HN   1 2 
        8 1 2 1 1 38 ASN HB2 . 38 . HB2  1 2 
        9 1 1 1 1 33 ALA MB  . 33 . HB#  1 2 
        9 1 2 1 1 35 CYS H   . 35 . HN   1 2 
       10 1 1 1 1 31 SER QB  . 31 . HB#  1 2 
       10 1 2 1 1 35 CYS H   . 35 . HN   1 2 
       11 1 1 1 1  9 THR MG  .  9 . HG2# 1 2 
       11 1 2 1 1 12 GLY H   . 12 . HN   1 2 
       12 1 1 1 1 30 ASP H   . 30 . HN   1 2 
       12 1 2 1 1 34 ILE MG  . 34 . HG2# 1 2 
       13 1 1 1 1 31 SER H   . 31 . HN   1 2 
       13 1 2 1 1 34 ILE MG  . 34 . HG2# 1 2 
       14 1 1 1 1 32 LYS QG  . 32 . HG#  1 2 
       14 1 2 1 1 33 ALA H   . 33 . HN   1 2 
       15 1 1 1 1  5 CYS QB  .  5 . HB#  1 2 
       15 1 2 1 1 19 CYS HA  . 19 . HA   1 2 
       16 1 1 1 1 36 ASN HA  . 36 . HA   1 2 
       16 1 2 1 1 39 CYS QB  . 39 . HB#  1 2 
       17 1 1 1 1 15 GLY QA  . 15 . HA#  1 2 
       17 1 2 1 1 16 LYS QG  . 16 . HG#  1 2 
       18 1 1 1 1  5 CYS HB3 .  5 . HB1  1 2 
       18 1 2 1 1 35 CYS HB3 . 35 . HB1  1 2 
       19 1 1 1 1  5 CYS HB2 .  5 . HB2  1 2 
       19 1 2 1 1 35 CYS HB3 . 35 . HB1  1 2 
       20 1 1 1 1 11 CYS HB3 . 11 . HB1  1 2 
       20 1 2 1 1 26 CYS HB2 . 26 . HB2  1 2 
       21 1 1 1 1 18 CYS HB3 . 18 . HB1  1 2 
       21 1 2 1 1 28 CYS HB3 . 28 . HB1  1 2 
       22 1 1 1 1 18 CYS HB3 . 18 . HB1  1 2 
       22 1 2 1 1 28 CYS HB2 . 28 . HB2  1 2 
       23 1 1 1 1 19 CYS HB2 . 19 . HB2  1 2 
       23 1 2 1 1 39 CYS HB2 . 39 . HB2  1 2 
       24 1 1 1 1 29 TYR QD  . 29 . HD#  1 2 
       24 1 2 1 1 34 ILE HB  . 34 . HB   1 2 
       25 1 1 1 1 17 TYR QE  . 17 . HE#  1 2 
       25 1 2 1 1 32 LYS HB3 . 32 . HB1  1 2 
       26 1 1 1 1 17 TYR QE  . 17 . HE#  1 2 
       26 1 2 1 1 32 LYS QG  . 32 . HG#  1 2 
    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 . . . . . 4.2 1.8 5.0 1 2 
        2 1 . . . . . 4.2 3.4 5.0 1 2 
        3 1 . . . . . 3.0 1.8 3.5 1 2 
        4 1 . . . . . 3.0 1.8 3.5 1 2 
        5 1 . . . . . 4.2 3.6 4.8 1 2 
        6 1 . . . . . 4.2 1.8 5.0 1 2 
        7 1 . . . . . 4.2 1.8 4.5 1 2 
        8 1 . . . . . 4.2 1.8 5.0 1 2 
        9 1 . . . . . 4.2 1.8 6.0 1 2 
       10 1 . . . . . 4.2 2.4 5.0 1 2 
       11 1 . . . . . 4.2 1.8 6.0 1 2 
       12 1 . . . . . 4.2 1.8 6.0 1 2 
       13 1 . . . . . 4.2 1.8 6.0 1 2 
       14 1 . . . . . 4.2 1.8 5.0 1 2 
       15 1 . . . . . 4.2 1.8 5.0 1 2 
       16 1 . . . . . 4.2 2.5 4.4 1 2 
       17 1 . . . . . 4.2 1.8 5.0 1 2 
       18 1 . . . . . 4.2 1.8 5.0 1 2 
       19 1 . . . . . 4.2 1.8 5.0 1 2 
       20 1 . . . . . 4.2 1.8 5.0 1 2 
       21 1 . . . . . 4.2 1.8 5.0 1 2 
       22 1 . . . . . 4.2 1.8 5.0 1 2 
       23 1 . . . . . 3.3 1.8 3.5 1 2 
       24 1 . . . . . 3.0 1.8 5.0 1 2 
       25 1 . . . . . 4.2 1.8 6.0 1 2 
       26 1 . . . . . 4.2 1.8 5.4 1 2 
    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 ASP C    C  9.885   2.446   4.705 1.00 . A A .  1 ASP C    1 1 
       1   2 1 1  1 ASP CA   C  9.141   2.853   5.980 1.00 . A A .  1 ASP CA   1 1 
       1   3 1 1  1 ASP CB   C  8.573   4.264   5.839 1.00 . A A .  1 ASP CB   1 1 
       1   4 1 1  1 ASP CG   C  7.114   4.277   6.297 1.00 . A A .  1 ASP CG   1 1 
       1   5 1 1  1 ASP H1   H 10.590   2.025   7.227 1.00 . A A .  1 ASP H1   1 1 
       1   6 1 1  1 ASP H2   H 10.778   3.692   6.958 1.00 . A A .  1 ASP H2   1 1 
       1   7 1 1  1 ASP H3   H  9.562   3.129   8.002 1.00 . A A .  1 ASP H3   1 1 
       1   8 1 1  1 ASP HA   H  8.346   2.155   6.193 1.00 . A A .  1 ASP HA   1 1 
       1   9 1 1  1 ASP HB2  H  9.149   4.946   6.448 1.00 . A A .  1 ASP HB2  1 1 
       1  10 1 1  1 ASP HB3  H  8.627   4.569   4.806 1.00 . A A .  1 ASP HB3  1 1 
       1  11 1 1  1 ASP N    N 10.089   2.930   7.129 1.00 . A A .  1 ASP N    1 1 
       1  12 1 1  1 ASP O    O  9.949   3.191   3.748 1.00 . A A .  1 ASP O    1 1 
       1  13 1 1  1 ASP OD1  O  6.886   4.480   7.479 1.00 . A A .  1 ASP OD1  1 1 
       1  14 1 1  1 ASP OD2  O  6.248   4.085   5.459 1.00 . A A .  1 ASP OD2  1 1 
       1  15 1 1  2 ASP C    C 11.246  -0.713   3.432 1.00 . A A .  2 ASP C    1 1 
       1  16 1 1  2 ASP CA   C 11.196   0.818   3.478 1.00 . A A .  2 ASP CA   1 1 
       1  17 1 1  2 ASP CB   C 12.611   1.393   3.662 1.00 . A A .  2 ASP CB   1 1 
       1  18 1 1  2 ASP CG   C 12.609   2.879   3.299 1.00 . A A .  2 ASP CG   1 1 
       1  19 1 1  2 ASP H    H 10.393   0.690   5.473 1.00 . A A .  2 ASP H    1 1 
       1  20 1 1  2 ASP HA   H 10.734   1.215   2.575 1.00 . A A .  2 ASP HA   1 1 
       1  21 1 1  2 ASP HB2  H 12.920   1.276   4.700 1.00 . A A .  2 ASP HB2  1 1 
       1  22 1 1  2 ASP HB3  H 13.308   0.867   3.022 1.00 . A A .  2 ASP HB3  1 1 
       1  23 1 1  2 ASP N    N 10.451   1.271   4.689 1.00 . A A .  2 ASP N    1 1 
       1  24 1 1  2 ASP O    O 10.697  -1.387   4.281 1.00 . A A .  2 ASP O    1 1 
       1  25 1 1  2 ASP OD1  O 12.085   3.658   4.078 1.00 . A A .  2 ASP OD1  1 1 
       1  26 1 1  2 ASP OD2  O 13.134   3.213   2.250 1.00 . A A .  2 ASP OD2  1 1 
       1  27 1 1  3 GLY C    C 12.507  -3.171   0.971 1.00 . A A .  3 GLY C    1 1 
       1  28 1 1  3 GLY CA   C 11.997  -2.751   2.356 1.00 . A A .  3 GLY CA   1 1 
       1  29 1 1  3 GLY H    H 12.348  -0.705   1.779 1.00 . A A .  3 GLY H    1 1 
       1  30 1 1  3 GLY HA2  H 12.678  -3.107   3.116 1.00 . A A .  3 GLY HA2  1 1 
       1  31 1 1  3 GLY HA3  H 11.021  -3.179   2.527 1.00 . A A .  3 GLY HA3  1 1 
       1  32 1 1  3 GLY N    N 11.906  -1.266   2.450 1.00 . A A .  3 GLY N    1 1 
       1  33 1 1  3 GLY O    O 13.133  -2.403   0.268 1.00 . A A .  3 GLY O    1 1 
       1  34 1 1  4 LEU C    C 11.533  -5.491  -1.515 1.00 . A A .  4 LEU C    1 1 
       1  35 1 1  4 LEU CA   C 12.718  -4.889  -0.740 1.00 . A A .  4 LEU CA   1 1 
       1  36 1 1  4 LEU CB   C 13.751  -5.965  -0.414 1.00 . A A .  4 LEU CB   1 1 
       1  37 1 1  4 LEU CD1  C 15.321  -6.735   1.373 1.00 . A A .  4 LEU CD1  1 1 
       1  38 1 1  4 LEU CD2  C 15.651  -4.502   0.314 1.00 . A A .  4 LEU CD2  1 1 
       1  39 1 1  4 LEU CG   C 14.605  -5.520   0.778 1.00 . A A .  4 LEU CG   1 1 
       1  40 1 1  4 LEU H    H 11.750  -4.996   1.174 1.00 . A A .  4 LEU H    1 1 
       1  41 1 1  4 LEU HA   H 13.177  -4.088  -1.297 1.00 . A A .  4 LEU HA   1 1 
       1  42 1 1  4 LEU HB2  H 13.244  -6.887  -0.171 1.00 . A A .  4 LEU HB2  1 1 
       1  43 1 1  4 LEU HB3  H 14.385  -6.115  -1.272 1.00 . A A .  4 LEU HB3  1 1 
       1  44 1 1  4 LEU HD11 H 15.139  -7.600   0.752 1.00 . A A .  4 LEU HD11 1 1 
       1  45 1 1  4 LEU HD12 H 16.382  -6.540   1.418 1.00 . A A .  4 LEU HD12 1 1 
       1  46 1 1  4 LEU HD13 H 14.945  -6.921   2.369 1.00 . A A .  4 LEU HD13 1 1 
       1  47 1 1  4 LEU HD21 H 15.872  -4.661  -0.731 1.00 . A A .  4 LEU HD21 1 1 
       1  48 1 1  4 LEU HD22 H 15.268  -3.501   0.453 1.00 . A A .  4 LEU HD22 1 1 
       1  49 1 1  4 LEU HD23 H 16.554  -4.624   0.894 1.00 . A A .  4 LEU HD23 1 1 
       1  50 1 1  4 LEU HG   H 13.970  -5.072   1.529 1.00 . A A .  4 LEU HG   1 1 
       1  51 1 1  4 LEU N    N 12.249  -4.393   0.585 1.00 . A A .  4 LEU N    1 1 
       1  52 1 1  4 LEU O    O 10.421  -5.505  -1.027 1.00 . A A .  4 LEU O    1 1 
       1  53 1 1  5 CYS C    C 11.018  -7.842  -4.216 1.00 . A A .  5 CYS C    1 1 
       1  54 1 1  5 CYS CA   C 10.587  -6.583  -3.466 1.00 . A A .  5 CYS CA   1 1 
       1  55 1 1  5 CYS CB   C 10.124  -5.504  -4.458 1.00 . A A .  5 CYS CB   1 1 
       1  56 1 1  5 CYS H    H 12.655  -5.987  -3.106 1.00 . A A .  5 CYS H    1 1 
       1  57 1 1  5 CYS HA   H  9.777  -6.821  -2.789 1.00 . A A .  5 CYS HA   1 1 
       1  58 1 1  5 CYS HB2  H 10.059  -4.555  -3.954 1.00 . A A .  5 CYS HB2  1 1 
       1  59 1 1  5 CYS HB3  H 10.830  -5.430  -5.274 1.00 . A A .  5 CYS HB3  1 1 
       1  60 1 1  5 CYS N    N 11.745  -5.991  -2.711 1.00 . A A .  5 CYS N    1 1 
       1  61 1 1  5 CYS O    O 12.161  -8.004  -4.595 1.00 . A A .  5 CYS O    1 1 
       1  62 1 1  5 CYS SG   S  8.494  -5.947  -5.119 1.00 . A A .  5 CYS SG   1 1 
       1  63 1 1  6 TYR C    C  9.287 -10.214  -6.200 1.00 . A A .  6 TYR C    1 1 
       1  64 1 1  6 TYR CA   C 10.388  -9.989  -5.169 1.00 . A A .  6 TYR CA   1 1 
       1  65 1 1  6 TYR CB   C 10.425 -11.103  -4.105 1.00 . A A .  6 TYR CB   1 1 
       1  66 1 1  6 TYR CD1  C  8.271 -12.372  -4.344 1.00 . A A .  6 TYR CD1  1 1 
       1  67 1 1  6 TYR CD2  C  8.540 -10.889  -2.453 1.00 . A A .  6 TYR CD2  1 1 
       1  68 1 1  6 TYR CE1  C  6.994 -12.720  -3.894 1.00 . A A .  6 TYR CE1  1 1 
       1  69 1 1  6 TYR CE2  C  7.260 -11.234  -1.998 1.00 . A A .  6 TYR CE2  1 1 
       1  70 1 1  6 TYR CG   C  9.041 -11.456  -3.625 1.00 . A A .  6 TYR CG   1 1 
       1  71 1 1  6 TYR CZ   C  6.487 -12.150  -2.721 1.00 . A A .  6 TYR CZ   1 1 
       1  72 1 1  6 TYR H    H  9.168  -8.542  -4.131 1.00 . A A .  6 TYR H    1 1 
       1  73 1 1  6 TYR HA   H 11.347  -9.918  -5.653 1.00 . A A .  6 TYR HA   1 1 
       1  74 1 1  6 TYR HB2  H 10.875 -11.987  -4.525 1.00 . A A .  6 TYR HB2  1 1 
       1  75 1 1  6 TYR HB3  H 11.016 -10.770  -3.269 1.00 . A A .  6 TYR HB3  1 1 
       1  76 1 1  6 TYR HD1  H  8.665 -12.811  -5.245 1.00 . A A .  6 TYR HD1  1 1 
       1  77 1 1  6 TYR HD2  H  9.144 -10.188  -1.898 1.00 . A A .  6 TYR HD2  1 1 
       1  78 1 1  6 TYR HE1  H  6.402 -13.431  -4.451 1.00 . A A .  6 TYR HE1  1 1 
       1  79 1 1  6 TYR HE2  H  6.869 -10.797  -1.091 1.00 . A A .  6 TYR HE2  1 1 
       1  80 1 1  6 TYR HH   H  5.221 -12.419  -1.318 1.00 . A A .  6 TYR HH   1 1 
       1  81 1 1  6 TYR N    N 10.087  -8.726  -4.435 1.00 . A A .  6 TYR N    1 1 
       1  82 1 1  6 TYR O    O  8.262  -9.560  -6.159 1.00 . A A .  6 TYR O    1 1 
       1  83 1 1  6 TYR OH   O  5.227 -12.493  -2.275 1.00 . A A .  6 TYR OH   1 1 
       1  84 1 1  7 GLU C    C  7.896 -12.694  -8.191 1.00 . A A .  7 GLU C    1 1 
       1  85 1 1  7 GLU CA   C  8.402 -11.258  -8.162 1.00 . A A .  7 GLU CA   1 1 
       1  86 1 1  7 GLU CB   C  9.068 -10.909  -9.492 1.00 . A A .  7 GLU CB   1 1 
       1  87 1 1  7 GLU CD   C 10.849 -11.588 -11.093 1.00 . A A .  7 GLU CD   1 1 
       1  88 1 1  7 GLU CG   C  9.884 -12.078 -10.012 1.00 . A A .  7 GLU CG   1 1 
       1  89 1 1  7 GLU H    H 10.317 -11.589  -7.209 1.00 . A A .  7 GLU H    1 1 
       1  90 1 1  7 GLU HA   H  7.583 -10.583  -7.969 1.00 . A A .  7 GLU HA   1 1 
       1  91 1 1  7 GLU HB2  H  8.316 -10.686 -10.216 1.00 . A A .  7 GLU HB2  1 1 
       1  92 1 1  7 GLU HB3  H  9.714 -10.056  -9.355 1.00 . A A .  7 GLU HB3  1 1 
       1  93 1 1  7 GLU HG2  H 10.441 -12.549  -9.210 1.00 . A A .  7 GLU HG2  1 1 
       1  94 1 1  7 GLU HG3  H  9.191 -12.778 -10.449 1.00 . A A .  7 GLU HG3  1 1 
       1  95 1 1  7 GLU N    N  9.475 -11.089  -7.145 1.00 . A A .  7 GLU N    1 1 
       1  96 1 1  7 GLU O    O  8.638 -13.641  -8.020 1.00 . A A .  7 GLU O    1 1 
       1  97 1 1  7 GLU OE1  O 11.729 -10.809 -10.766 1.00 . A A .  7 GLU OE1  1 1 
       1  98 1 1  7 GLU OE2  O 10.691 -12.000 -12.230 1.00 . A A .  7 GLU OE2  1 1 
       1  99 1 1  8 GLY C    C  4.544 -14.174  -8.100 1.00 . A A .  8 GLY C    1 1 
       1 100 1 1  8 GLY CA   C  6.030 -14.210  -8.476 1.00 . A A .  8 GLY CA   1 1 
       1 101 1 1  8 GLY H    H  6.054 -12.061  -8.566 1.00 . A A .  8 GLY H    1 1 
       1 102 1 1  8 GLY HA2  H  6.132 -14.577  -9.482 1.00 . A A .  8 GLY HA2  1 1 
       1 103 1 1  8 GLY HA3  H  6.559 -14.867  -7.797 1.00 . A A .  8 GLY HA3  1 1 
       1 104 1 1  8 GLY N    N  6.621 -12.849  -8.419 1.00 . A A .  8 GLY N    1 1 
       1 105 1 1  8 GLY O    O  3.748 -13.520  -8.743 1.00 . A A .  8 GLY O    1 1 
       1 106 1 1  9 THR C    C  2.569 -15.312  -5.200 1.00 . A A .  9 THR C    1 1 
       1 107 1 1  9 THR CA   C  2.727 -14.940  -6.691 1.00 . A A .  9 THR CA   1 1 
       1 108 1 1  9 THR CB   C  2.174 -16.072  -7.537 1.00 . A A .  9 THR CB   1 1 
       1 109 1 1  9 THR CG2  C  0.750 -16.426  -7.091 1.00 . A A .  9 THR CG2  1 1 
       1 110 1 1  9 THR H    H  4.805 -15.439  -6.594 1.00 . A A .  9 THR H    1 1 
       1 111 1 1  9 THR HA   H  2.232 -14.022  -6.948 1.00 . A A .  9 THR HA   1 1 
       1 112 1 1  9 THR HB   H  2.812 -16.927  -7.404 1.00 . A A .  9 THR HB   1 1 
       1 113 1 1  9 THR HG1  H  2.660 -16.342  -9.401 1.00 . A A .  9 THR HG1  1 1 
       1 114 1 1  9 THR HG21 H  0.629 -16.194  -6.043 1.00 . A A .  9 THR HG21 1 1 
       1 115 1 1  9 THR HG22 H  0.038 -15.857  -7.671 1.00 . A A .  9 THR HG22 1 1 
       1 116 1 1  9 THR HG23 H  0.577 -17.481  -7.247 1.00 . A A .  9 THR HG23 1 1 
       1 117 1 1  9 THR N    N  4.159 -14.901  -7.082 1.00 . A A .  9 THR N    1 1 
       1 118 1 1  9 THR O    O  1.556 -15.856  -4.805 1.00 . A A .  9 THR O    1 1 
       1 119 1 1  9 THR OG1  O  2.168 -15.685  -8.904 1.00 . A A .  9 THR OG1  1 1 
       1 120 1 1 10 ASN C    C  2.524 -14.607  -2.127 1.00 . A A . 10 ASN C    1 1 
       1 121 1 1 10 ASN CA   C  3.450 -15.506  -2.936 1.00 . A A . 10 ASN CA   1 1 
       1 122 1 1 10 ASN CB   C  4.871 -15.449  -2.398 1.00 . A A . 10 ASN CB   1 1 
       1 123 1 1 10 ASN CG   C  4.926 -16.117  -1.015 1.00 . A A . 10 ASN CG   1 1 
       1 124 1 1 10 ASN H    H  4.407 -14.685  -4.704 1.00 . A A . 10 ASN H    1 1 
       1 125 1 1 10 ASN HA   H  3.089 -16.510  -2.887 1.00 . A A . 10 ASN HA   1 1 
       1 126 1 1 10 ASN HB2  H  5.514 -15.982  -3.084 1.00 . A A . 10 ASN HB2  1 1 
       1 127 1 1 10 ASN HB3  H  5.193 -14.422  -2.326 1.00 . A A . 10 ASN HB3  1 1 
       1 128 1 1 10 ASN HD21 H  4.972 -14.388   0.014 1.00 . A A . 10 ASN HD21 1 1 
       1 129 1 1 10 ASN HD22 H  5.012 -15.837   0.964 1.00 . A A . 10 ASN HD22 1 1 
       1 130 1 1 10 ASN N    N  3.567 -15.086  -4.376 1.00 . A A . 10 ASN N    1 1 
       1 131 1 1 10 ASN ND2  N  4.974 -15.385   0.075 1.00 . A A . 10 ASN ND2  1 1 
       1 132 1 1 10 ASN O    O  2.185 -14.904  -0.998 1.00 . A A . 10 ASN O    1 1 
       1 133 1 1 10 ASN OD1  O  4.909 -17.328  -0.922 1.00 . A A . 10 ASN OD1  1 1 
       1 134 1 1 11 CYS C    C -0.083 -12.440  -2.786 1.00 . A A . 11 CYS C    1 1 
       1 135 1 1 11 CYS CA   C  1.153 -12.641  -1.962 1.00 . A A . 11 CYS CA   1 1 
       1 136 1 1 11 CYS CB   C  1.910 -11.335  -1.738 1.00 . A A . 11 CYS CB   1 1 
       1 137 1 1 11 CYS H    H  2.361 -13.342  -3.612 1.00 . A A . 11 CYS H    1 1 
       1 138 1 1 11 CYS HA   H  0.867 -13.081  -1.024 1.00 . A A . 11 CYS HA   1 1 
       1 139 1 1 11 CYS HB2  H  2.460 -11.092  -2.637 1.00 . A A . 11 CYS HB2  1 1 
       1 140 1 1 11 CYS HB3  H  1.214 -10.538  -1.506 1.00 . A A . 11 CYS HB3  1 1 
       1 141 1 1 11 CYS N    N  2.091 -13.542  -2.693 1.00 . A A . 11 CYS N    1 1 
       1 142 1 1 11 CYS O    O -0.791 -11.461  -2.662 1.00 . A A . 11 CYS O    1 1 
       1 143 1 1 11 CYS SG   S  3.063 -11.548  -0.360 1.00 . A A . 11 CYS SG   1 1 
       1 144 1 1 12 GLY C    C -1.328 -12.257  -5.559 1.00 . A A . 12 GLY C    1 1 
       1 145 1 1 12 GLY CA   C -1.566 -13.269  -4.445 1.00 . A A . 12 GLY CA   1 1 
       1 146 1 1 12 GLY H    H  0.236 -14.168  -3.691 1.00 . A A . 12 GLY H    1 1 
       1 147 1 1 12 GLY HA2  H -1.813 -14.237  -4.860 1.00 . A A . 12 GLY HA2  1 1 
       1 148 1 1 12 GLY HA3  H -2.367 -12.929  -3.809 1.00 . A A . 12 GLY HA3  1 1 
       1 149 1 1 12 GLY N    N -0.357 -13.382  -3.619 1.00 . A A . 12 GLY N    1 1 
       1 150 1 1 12 GLY O    O -2.238 -11.859  -6.259 1.00 . A A . 12 GLY O    1 1 
       1 151 1 1 13 LYS C    C  0.513 -11.550  -8.074 1.00 . A A . 13 LYS C    1 1 
       1 152 1 1 13 LYS CA   C  0.194 -10.839  -6.779 1.00 . A A . 13 LYS CA   1 1 
       1 153 1 1 13 LYS CB   C  1.386 -10.073  -6.273 1.00 . A A . 13 LYS CB   1 1 
       1 154 1 1 13 LYS CD   C  3.765 -10.325  -5.565 1.00 . A A . 13 LYS CD   1 1 
       1 155 1 1 13 LYS CE   C  5.115 -10.498  -6.265 1.00 . A A . 13 LYS CE   1 1 
       1 156 1 1 13 LYS CG   C  2.659 -10.900  -6.445 1.00 . A A . 13 LYS CG   1 1 
       1 157 1 1 13 LYS H    H  0.600 -12.150  -5.139 1.00 . A A . 13 LYS H    1 1 
       1 158 1 1 13 LYS HA   H -0.627 -10.179  -6.905 1.00 . A A . 13 LYS HA   1 1 
       1 159 1 1 13 LYS HB2  H  1.478  -9.141  -6.811 1.00 . A A . 13 LYS HB2  1 1 
       1 160 1 1 13 LYS HB3  H  1.221  -9.880  -5.243 1.00 . A A . 13 LYS HB3  1 1 
       1 161 1 1 13 LYS HD2  H  3.577  -9.276  -5.391 1.00 . A A . 13 LYS HD2  1 1 
       1 162 1 1 13 LYS HD3  H  3.779 -10.851  -4.623 1.00 . A A . 13 LYS HD3  1 1 
       1 163 1 1 13 LYS HE2  H  4.968 -10.809  -7.290 1.00 . A A . 13 LYS HE2  1 1 
       1 164 1 1 13 LYS HE3  H  5.680  -9.581  -6.226 1.00 . A A . 13 LYS HE3  1 1 
       1 165 1 1 13 LYS HG2  H  2.471 -11.918  -6.160 1.00 . A A . 13 LYS HG2  1 1 
       1 166 1 1 13 LYS HG3  H  2.967 -10.865  -7.477 1.00 . A A . 13 LYS HG3  1 1 
       1 167 1 1 13 LYS HZ1  H  5.600 -11.454  -4.480 1.00 . A A . 13 LYS HZ1  1 1 
       1 168 1 1 13 LYS HZ2  H  5.489 -12.496  -5.814 1.00 . A A . 13 LYS HZ2  1 1 
       1 169 1 1 13 LYS HZ3  H  6.841 -11.480  -5.641 1.00 . A A . 13 LYS HZ3  1 1 
       1 170 1 1 13 LYS N    N -0.108 -11.831  -5.722 1.00 . A A . 13 LYS N    1 1 
       1 171 1 1 13 LYS NZ   N  5.814 -11.562  -5.492 1.00 . A A . 13 LYS NZ   1 1 
       1 172 1 1 13 LYS O    O  1.558 -11.384  -8.668 1.00 . A A . 13 LYS O    1 1 
       1 173 1 1 14 VAL C    C -0.209 -12.081 -10.942 1.00 . A A . 14 VAL C    1 1 
       1 174 1 1 14 VAL CA   C -0.235 -13.085  -9.784 1.00 . A A . 14 VAL CA   1 1 
       1 175 1 1 14 VAL CB   C -1.463 -13.999  -9.879 1.00 . A A . 14 VAL CB   1 1 
       1 176 1 1 14 VAL CG1  C -1.619 -14.514 -11.315 1.00 . A A . 14 VAL CG1  1 1 
       1 177 1 1 14 VAL CG2  C -1.309 -15.193  -8.925 1.00 . A A . 14 VAL CG2  1 1 
       1 178 1 1 14 VAL H    H -1.235 -12.422  -7.980 1.00 . A A . 14 VAL H    1 1 
       1 179 1 1 14 VAL HA   H  0.670 -13.666  -9.768 1.00 . A A . 14 VAL HA   1 1 
       1 180 1 1 14 VAL HB   H -2.342 -13.436  -9.604 1.00 . A A . 14 VAL HB   1 1 
       1 181 1 1 14 VAL HG11 H -1.424 -13.711 -12.011 1.00 . A A . 14 VAL HG11 1 1 
       1 182 1 1 14 VAL HG12 H -0.918 -15.319 -11.488 1.00 . A A . 14 VAL HG12 1 1 
       1 183 1 1 14 VAL HG13 H -2.626 -14.878 -11.459 1.00 . A A . 14 VAL HG13 1 1 
       1 184 1 1 14 VAL HG21 H -0.733 -14.897  -8.061 1.00 . A A . 14 VAL HG21 1 1 
       1 185 1 1 14 VAL HG22 H -2.287 -15.525  -8.607 1.00 . A A . 14 VAL HG22 1 1 
       1 186 1 1 14 VAL HG23 H -0.805 -16.002  -9.435 1.00 . A A . 14 VAL HG23 1 1 
       1 187 1 1 14 VAL N    N -0.410 -12.337  -8.505 1.00 . A A . 14 VAL N    1 1 
       1 188 1 1 14 VAL O    O -1.204 -11.454 -11.247 1.00 . A A . 14 VAL O    1 1 
       1 189 1 1 15 GLY C    C  1.630  -9.627 -12.215 1.00 . A A . 15 GLY C    1 1 
       1 190 1 1 15 GLY CA   C  0.977 -10.925 -12.708 1.00 . A A . 15 GLY CA   1 1 
       1 191 1 1 15 GLY H    H  1.722 -12.417 -11.328 1.00 . A A . 15 GLY H    1 1 
       1 192 1 1 15 GLY HA2  H  1.560 -11.338 -13.524 1.00 . A A . 15 GLY HA2  1 1 
       1 193 1 1 15 GLY HA3  H -0.024 -10.714 -13.056 1.00 . A A . 15 GLY HA3  1 1 
       1 194 1 1 15 GLY N    N  0.917 -11.908 -11.585 1.00 . A A . 15 GLY N    1 1 
       1 195 1 1 15 GLY O    O  2.242  -8.907 -12.980 1.00 . A A . 15 GLY O    1 1 
       1 196 1 1 16 LYS C    C  3.389  -8.482  -9.540 1.00 . A A . 16 LYS C    1 1 
       1 197 1 1 16 LYS CA   C  2.182  -8.086 -10.421 1.00 . A A . 16 LYS CA   1 1 
       1 198 1 1 16 LYS CB   C  1.104  -7.331  -9.647 1.00 . A A . 16 LYS CB   1 1 
       1 199 1 1 16 LYS CD   C -1.081  -6.118  -9.823 1.00 . A A . 16 LYS CD   1 1 
       1 200 1 1 16 LYS CE   C -1.763  -7.003  -8.777 1.00 . A A . 16 LYS CE   1 1 
       1 201 1 1 16 LYS CG   C -0.043  -6.944 -10.591 1.00 . A A . 16 LYS CG   1 1 
       1 202 1 1 16 LYS H    H  1.055  -9.935 -10.323 1.00 . A A . 16 LYS H    1 1 
       1 203 1 1 16 LYS HA   H  2.511  -7.477 -11.239 1.00 . A A . 16 LYS HA   1 1 
       1 204 1 1 16 LYS HB2  H  0.727  -7.947  -8.853 1.00 . A A . 16 LYS HB2  1 1 
       1 205 1 1 16 LYS HB3  H  1.537  -6.432  -9.247 1.00 . A A . 16 LYS HB3  1 1 
       1 206 1 1 16 LYS HD2  H -0.592  -5.288  -9.331 1.00 . A A . 16 LYS HD2  1 1 
       1 207 1 1 16 LYS HD3  H -1.824  -5.740 -10.511 1.00 . A A . 16 LYS HD3  1 1 
       1 208 1 1 16 LYS HE2  H -2.085  -7.932  -9.226 1.00 . A A . 16 LYS HE2  1 1 
       1 209 1 1 16 LYS HE3  H -1.095  -7.193  -7.951 1.00 . A A . 16 LYS HE3  1 1 
       1 210 1 1 16 LYS HG2  H  0.348  -6.355 -11.410 1.00 . A A . 16 LYS HG2  1 1 
       1 211 1 1 16 LYS HG3  H -0.513  -7.834 -10.980 1.00 . A A . 16 LYS HG3  1 1 
       1 212 1 1 16 LYS HZ1  H -2.660  -5.220  -8.186 1.00 . A A . 16 LYS HZ1  1 1 
       1 213 1 1 16 LYS HZ2  H -3.697  -6.272  -9.019 1.00 . A A . 16 LYS HZ2  1 1 
       1 214 1 1 16 LYS HZ3  H -3.275  -6.598  -7.405 1.00 . A A . 16 LYS HZ3  1 1 
       1 215 1 1 16 LYS N    N  1.532  -9.328 -10.941 1.00 . A A . 16 LYS N    1 1 
       1 216 1 1 16 LYS NZ   N -2.937  -6.213  -8.312 1.00 . A A . 16 LYS NZ   1 1 
       1 217 1 1 16 LYS O    O  4.187  -9.303  -9.944 1.00 . A A . 16 LYS O    1 1 
       1 218 1 1 17 TYR C    C  4.389  -8.219  -6.031 1.00 . A A . 17 TYR C    1 1 
       1 219 1 1 17 TYR CA   C  4.730  -8.337  -7.532 1.00 . A A . 17 TYR CA   1 1 
       1 220 1 1 17 TYR CB   C  5.828  -7.377  -7.945 1.00 . A A . 17 TYR CB   1 1 
       1 221 1 1 17 TYR CD1  C  4.972  -6.572 -10.196 1.00 . A A . 17 TYR CD1  1 1 
       1 222 1 1 17 TYR CD2  C  6.864  -8.067 -10.103 1.00 . A A . 17 TYR CD2  1 1 
       1 223 1 1 17 TYR CE1  C  5.047  -6.572 -11.596 1.00 . A A . 17 TYR CE1  1 1 
       1 224 1 1 17 TYR CE2  C  6.947  -8.068 -11.489 1.00 . A A . 17 TYR CE2  1 1 
       1 225 1 1 17 TYR CG   C  5.888  -7.325  -9.452 1.00 . A A . 17 TYR CG   1 1 
       1 226 1 1 17 TYR CZ   C  6.037  -7.321 -12.243 1.00 . A A . 17 TYR CZ   1 1 
       1 227 1 1 17 TYR H    H  2.927  -7.270  -8.003 1.00 . A A . 17 TYR H    1 1 
       1 228 1 1 17 TYR HA   H  5.029  -9.343  -7.784 1.00 . A A . 17 TYR HA   1 1 
       1 229 1 1 17 TYR HB2  H  5.641  -6.392  -7.539 1.00 . A A . 17 TYR HB2  1 1 
       1 230 1 1 17 TYR HB3  H  6.761  -7.763  -7.579 1.00 . A A . 17 TYR HB3  1 1 
       1 231 1 1 17 TYR HD1  H  4.217  -5.989  -9.697 1.00 . A A . 17 TYR HD1  1 1 
       1 232 1 1 17 TYR HD2  H  7.560  -8.637  -9.528 1.00 . A A . 17 TYR HD2  1 1 
       1 233 1 1 17 TYR HE1  H  4.341  -5.999 -12.176 1.00 . A A . 17 TYR HE1  1 1 
       1 234 1 1 17 TYR HE2  H  7.713  -8.650 -11.975 1.00 . A A . 17 TYR HE2  1 1 
       1 235 1 1 17 TYR HH   H  5.301  -7.707 -13.963 1.00 . A A . 17 TYR HH   1 1 
       1 236 1 1 17 TYR N    N  3.556  -7.933  -8.355 1.00 . A A . 17 TYR N    1 1 
       1 237 1 1 17 TYR O    O  3.301  -7.795  -5.682 1.00 . A A . 17 TYR O    1 1 
       1 238 1 1 17 TYR OH   O  6.113  -7.324 -13.621 1.00 . A A . 17 TYR OH   1 1 
       1 239 1 1 18 CYS C    C  6.122  -7.924  -2.888 1.00 . A A . 18 CYS C    1 1 
       1 240 1 1 18 CYS CA   C  4.942  -8.487  -3.681 1.00 . A A . 18 CYS CA   1 1 
       1 241 1 1 18 CYS CB   C  4.633  -9.928  -3.256 1.00 . A A . 18 CYS CB   1 1 
       1 242 1 1 18 CYS H    H  6.170  -8.931  -5.395 1.00 . A A . 18 CYS H    1 1 
       1 243 1 1 18 CYS HA   H  4.069  -7.866  -3.543 1.00 . A A . 18 CYS HA   1 1 
       1 244 1 1 18 CYS HB2  H  5.422 -10.589  -3.592 1.00 . A A . 18 CYS HB2  1 1 
       1 245 1 1 18 CYS HB3  H  4.551  -9.982  -2.180 1.00 . A A . 18 CYS HB3  1 1 
       1 246 1 1 18 CYS N    N  5.285  -8.588  -5.129 1.00 . A A . 18 CYS N    1 1 
       1 247 1 1 18 CYS O    O  7.247  -7.943  -3.333 1.00 . A A . 18 CYS O    1 1 
       1 248 1 1 18 CYS SG   S  3.065 -10.435  -3.990 1.00 . A A . 18 CYS SG   1 1 
       1 249 1 1 19 CYS C    C  6.823  -7.203   0.581 1.00 . A A . 19 CYS C    1 1 
       1 250 1 1 19 CYS CA   C  6.956  -6.816  -0.906 1.00 . A A . 19 CYS CA   1 1 
       1 251 1 1 19 CYS CB   C  6.797  -5.307  -1.109 1.00 . A A . 19 CYS CB   1 1 
       1 252 1 1 19 CYS H    H  4.945  -7.380  -1.394 1.00 . A A . 19 CYS H    1 1 
       1 253 1 1 19 CYS HA   H  7.904  -7.131  -1.297 1.00 . A A . 19 CYS HA   1 1 
       1 254 1 1 19 CYS HB2  H  7.317  -4.765  -0.327 1.00 . A A . 19 CYS HB2  1 1 
       1 255 1 1 19 CYS HB3  H  7.205  -5.032  -2.069 1.00 . A A . 19 CYS HB3  1 1 
       1 256 1 1 19 CYS N    N  5.863  -7.402  -1.723 1.00 . A A . 19 CYS N    1 1 
       1 257 1 1 19 CYS O    O  5.825  -6.914   1.224 1.00 . A A . 19 CYS O    1 1 
       1 258 1 1 19 CYS SG   S  5.042  -4.882  -1.062 1.00 . A A . 19 CYS SG   1 1 
       1 259 1 1 20 SER C    C  9.242  -8.641   2.987 1.00 . A A . 20 SER C    1 1 
       1 260 1 1 20 SER CA   C  7.821  -8.245   2.574 1.00 . A A . 20 SER CA   1 1 
       1 261 1 1 20 SER CB   C  6.856  -9.440   2.697 1.00 . A A . 20 SER CB   1 1 
       1 262 1 1 20 SER H    H  8.634  -8.052   0.580 1.00 . A A . 20 SER H    1 1 
       1 263 1 1 20 SER HA   H  7.478  -7.415   3.181 1.00 . A A . 20 SER HA   1 1 
       1 264 1 1 20 SER HB2  H  7.070  -9.998   3.603 1.00 . A A . 20 SER HB2  1 1 
       1 265 1 1 20 SER HB3  H  5.834  -9.080   2.739 1.00 . A A . 20 SER HB3  1 1 
       1 266 1 1 20 SER HG   H  7.499 -11.080   1.870 1.00 . A A . 20 SER HG   1 1 
       1 267 1 1 20 SER N    N  7.836  -7.848   1.126 1.00 . A A . 20 SER N    1 1 
       1 268 1 1 20 SER O    O  9.811  -9.559   2.430 1.00 . A A . 20 SER O    1 1 
       1 269 1 1 20 SER OG   O  7.028 -10.296   1.576 1.00 . A A . 20 SER OG   1 1 
       1 270 1 1 21 PRO C    C 11.189  -9.446   5.303 1.00 . A A . 21 PRO C    1 1 
       1 271 1 1 21 PRO CA   C 11.158  -8.212   4.400 1.00 . A A . 21 PRO CA   1 1 
       1 272 1 1 21 PRO CB   C 11.548  -6.947   5.162 1.00 . A A . 21 PRO CB   1 1 
       1 273 1 1 21 PRO CD   C  9.163  -6.813   4.660 1.00 . A A . 21 PRO CD   1 1 
       1 274 1 1 21 PRO CG   C 10.242  -6.333   5.605 1.00 . A A . 21 PRO CG   1 1 
       1 275 1 1 21 PRO HA   H 11.807  -8.354   3.556 1.00 . A A . 21 PRO HA   1 1 
       1 276 1 1 21 PRO HB2  H 12.173  -7.196   6.015 1.00 . A A . 21 PRO HB2  1 1 
       1 277 1 1 21 PRO HB3  H 12.070  -6.266   4.505 1.00 . A A . 21 PRO HB3  1 1 
       1 278 1 1 21 PRO HD2  H  8.300  -7.159   5.220 1.00 . A A . 21 PRO HD2  1 1 
       1 279 1 1 21 PRO HD3  H  8.881  -6.033   3.969 1.00 . A A . 21 PRO HD3  1 1 
       1 280 1 1 21 PRO HG2  H  9.996  -6.646   6.614 1.00 . A A . 21 PRO HG2  1 1 
       1 281 1 1 21 PRO HG3  H 10.315  -5.252   5.561 1.00 . A A . 21 PRO HG3  1 1 
       1 282 1 1 21 PRO N    N  9.779  -7.929   3.937 1.00 . A A . 21 PRO N    1 1 
       1 283 1 1 21 PRO O    O 12.202  -9.785   5.881 1.00 . A A . 21 PRO O    1 1 
       1 284 1 1 22 ILE C    C  8.781 -12.141   5.965 1.00 . A A . 22 ILE C    1 1 
       1 285 1 1 22 ILE CA   C 10.037 -11.348   6.275 1.00 . A A . 22 ILE CA   1 1 
       1 286 1 1 22 ILE CB   C  9.984 -10.811   7.702 1.00 . A A . 22 ILE CB   1 1 
       1 287 1 1 22 ILE CD1  C  9.880 -11.485  10.116 1.00 . A A . 22 ILE CD1  1 1 
       1 288 1 1 22 ILE CG1  C 10.379 -11.892   8.724 1.00 . A A . 22 ILE CG1  1 1 
       1 289 1 1 22 ILE CG2  C  8.552 -10.373   7.972 1.00 . A A . 22 ILE CG2  1 1 
       1 290 1 1 22 ILE H    H  9.289  -9.819   4.933 1.00 . A A . 22 ILE H    1 1 
       1 291 1 1 22 ILE HA   H 10.900 -11.949   6.109 1.00 . A A . 22 ILE HA   1 1 
       1 292 1 1 22 ILE HB   H 10.641  -9.958   7.786 1.00 . A A . 22 ILE HB   1 1 
       1 293 1 1 22 ILE HD11 H 10.209 -10.480  10.339 1.00 . A A . 22 ILE HD11 1 1 
       1 294 1 1 22 ILE HD12 H  8.800 -11.524  10.139 1.00 . A A . 22 ILE HD12 1 1 
       1 295 1 1 22 ILE HD13 H 10.280 -12.165  10.855 1.00 . A A . 22 ILE HD13 1 1 
       1 296 1 1 22 ILE HG12 H  9.931 -12.837   8.448 1.00 . A A . 22 ILE HG12 1 1 
       1 297 1 1 22 ILE HG13 H 11.455 -11.994   8.750 1.00 . A A . 22 ILE HG13 1 1 
       1 298 1 1 22 ILE HG21 H  7.969 -10.500   7.069 1.00 . A A . 22 ILE HG21 1 1 
       1 299 1 1 22 ILE HG22 H  8.133 -10.979   8.761 1.00 . A A . 22 ILE HG22 1 1 
       1 300 1 1 22 ILE HG23 H  8.541  -9.336   8.266 1.00 . A A . 22 ILE HG23 1 1 
       1 301 1 1 22 ILE N    N 10.085 -10.120   5.416 1.00 . A A . 22 ILE N    1 1 
       1 302 1 1 22 ILE O    O  8.405 -13.063   6.662 1.00 . A A . 22 ILE O    1 1 
       1 303 1 1 23 GLY C    C  5.772 -12.018   5.492 1.00 . A A . 23 GLY C    1 1 
       1 304 1 1 23 GLY CA   C  6.870 -12.437   4.525 1.00 . A A . 23 GLY CA   1 1 
       1 305 1 1 23 GLY H    H  8.484 -11.003   4.432 1.00 . A A . 23 GLY H    1 1 
       1 306 1 1 23 GLY HA2  H  6.592 -12.160   3.513 1.00 . A A . 23 GLY HA2  1 1 
       1 307 1 1 23 GLY HA3  H  7.009 -13.499   4.581 1.00 . A A . 23 GLY HA3  1 1 
       1 308 1 1 23 GLY N    N  8.136 -11.757   4.930 1.00 . A A . 23 GLY N    1 1 
       1 309 1 1 23 GLY O    O  4.688 -12.567   5.507 1.00 . A A . 23 GLY O    1 1 
       1 310 1 1 24 LYS C    C  4.106  -9.541   6.655 1.00 . A A . 24 LYS C    1 1 
       1 311 1 1 24 LYS CA   C  5.047 -10.571   7.289 1.00 . A A . 24 LYS CA   1 1 
       1 312 1 1 24 LYS CB   C  5.833  -9.946   8.440 1.00 . A A . 24 LYS CB   1 1 
       1 313 1 1 24 LYS CD   C  7.495  -8.173   9.029 1.00 . A A . 24 LYS CD   1 1 
       1 314 1 1 24 LYS CE   C  6.775  -7.577  10.240 1.00 . A A . 24 LYS CE   1 1 
       1 315 1 1 24 LYS CG   C  6.464  -8.624   7.991 1.00 . A A . 24 LYS CG   1 1 
       1 316 1 1 24 LYS H    H  6.941 -10.632   6.266 1.00 . A A . 24 LYS H    1 1 
       1 317 1 1 24 LYS HA   H  4.494 -11.405   7.656 1.00 . A A . 24 LYS HA   1 1 
       1 318 1 1 24 LYS HB2  H  5.159  -9.761   9.266 1.00 . A A . 24 LYS HB2  1 1 
       1 319 1 1 24 LYS HB3  H  6.604 -10.628   8.755 1.00 . A A . 24 LYS HB3  1 1 
       1 320 1 1 24 LYS HD2  H  8.086  -9.021   9.342 1.00 . A A . 24 LYS HD2  1 1 
       1 321 1 1 24 LYS HD3  H  8.141  -7.425   8.593 1.00 . A A . 24 LYS HD3  1 1 
       1 322 1 1 24 LYS HE2  H  6.767  -6.497  10.178 1.00 . A A . 24 LYS HE2  1 1 
       1 323 1 1 24 LYS HE3  H  5.768  -7.959  10.305 1.00 . A A . 24 LYS HE3  1 1 
       1 324 1 1 24 LYS HG2  H  6.949  -8.759   7.036 1.00 . A A . 24 LYS HG2  1 1 
       1 325 1 1 24 LYS HG3  H  5.695  -7.871   7.902 1.00 . A A . 24 LYS HG3  1 1 
       1 326 1 1 24 LYS HZ1  H  8.532  -8.272  11.112 1.00 . A A . 24 LYS HZ1  1 1 
       1 327 1 1 24 LYS HZ2  H  7.613  -7.262  12.119 1.00 . A A . 24 LYS HZ2  1 1 
       1 328 1 1 24 LYS HZ3  H  7.115  -8.863  11.841 1.00 . A A . 24 LYS HZ3  1 1 
       1 329 1 1 24 LYS N    N  6.058 -11.044   6.304 1.00 . A A . 24 LYS N    1 1 
       1 330 1 1 24 LYS NZ   N  7.569  -8.027  11.417 1.00 . A A . 24 LYS NZ   1 1 
       1 331 1 1 24 LYS O    O  2.933  -9.486   6.967 1.00 . A A . 24 LYS O    1 1 
       1 332 1 1 25 TYR C    C  3.012  -8.306   3.904 1.00 . A A . 25 TYR C    1 1 
       1 333 1 1 25 TYR CA   C  3.729  -7.705   5.116 1.00 . A A . 25 TYR CA   1 1 
       1 334 1 1 25 TYR CB   C  4.665  -6.576   4.679 1.00 . A A . 25 TYR CB   1 1 
       1 335 1 1 25 TYR CD1  C  4.145  -4.752   6.344 1.00 . A A . 25 TYR CD1  1 1 
       1 336 1 1 25 TYR CD2  C  6.276  -5.900   6.497 1.00 . A A . 25 TYR CD2  1 1 
       1 337 1 1 25 TYR CE1  C  4.491  -3.958   7.450 1.00 . A A . 25 TYR CE1  1 1 
       1 338 1 1 25 TYR CE2  C  6.624  -5.104   7.606 1.00 . A A . 25 TYR CE2  1 1 
       1 339 1 1 25 TYR CG   C  5.038  -5.722   5.870 1.00 . A A . 25 TYR CG   1 1 
       1 340 1 1 25 TYR CZ   C  5.730  -4.137   8.079 1.00 . A A . 25 TYR CZ   1 1 
       1 341 1 1 25 TYR H    H  5.554  -8.789   5.522 1.00 . A A . 25 TYR H    1 1 
       1 342 1 1 25 TYR HA   H  3.007  -7.325   5.822 1.00 . A A . 25 TYR HA   1 1 
       1 343 1 1 25 TYR HB2  H  5.561  -7.000   4.249 1.00 . A A . 25 TYR HB2  1 1 
       1 344 1 1 25 TYR HB3  H  4.163  -5.966   3.944 1.00 . A A . 25 TYR HB3  1 1 
       1 345 1 1 25 TYR HD1  H  3.192  -4.614   5.852 1.00 . A A . 25 TYR HD1  1 1 
       1 346 1 1 25 TYR HD2  H  6.959  -6.649   6.123 1.00 . A A . 25 TYR HD2  1 1 
       1 347 1 1 25 TYR HE1  H  3.803  -3.208   7.821 1.00 . A A . 25 TYR HE1  1 1 
       1 348 1 1 25 TYR HE2  H  7.583  -5.235   8.097 1.00 . A A . 25 TYR HE2  1 1 
       1 349 1 1 25 TYR HH   H  6.802  -3.782   9.618 1.00 . A A . 25 TYR HH   1 1 
       1 350 1 1 25 TYR N    N  4.606  -8.726   5.766 1.00 . A A . 25 TYR N    1 1 
       1 351 1 1 25 TYR O    O  1.878  -7.975   3.617 1.00 . A A . 25 TYR O    1 1 
       1 352 1 1 25 TYR OH   O  6.069  -3.357   9.165 1.00 . A A . 25 TYR OH   1 1 
       1 353 1 1 26 CYS C    C  2.058  -8.759   1.356 1.00 . A A . 26 CYS C    1 1 
       1 354 1 1 26 CYS CA   C  3.006  -9.783   1.985 1.00 . A A . 26 CYS CA   1 1 
       1 355 1 1 26 CYS CB   C  2.220 -10.990   2.518 1.00 . A A . 26 CYS CB   1 1 
       1 356 1 1 26 CYS H    H  4.580  -9.429   3.420 1.00 . A A . 26 CYS H    1 1 
       1 357 1 1 26 CYS HA   H  3.747 -10.111   1.261 1.00 . A A . 26 CYS HA   1 1 
       1 358 1 1 26 CYS HB2  H  2.805 -11.499   3.267 1.00 . A A . 26 CYS HB2  1 1 
       1 359 1 1 26 CYS HB3  H  1.285 -10.654   2.958 1.00 . A A . 26 CYS HB3  1 1 
       1 360 1 1 26 CYS N    N  3.662  -9.179   3.182 1.00 . A A . 26 CYS N    1 1 
       1 361 1 1 26 CYS O    O  0.864  -8.970   1.276 1.00 . A A . 26 CYS O    1 1 
       1 362 1 1 26 CYS SG   S  1.862 -12.136   1.160 1.00 . A A . 26 CYS SG   1 1 
       1 363 1 1 27 VAL C    C  2.089  -6.505  -1.207 1.00 . A A . 27 VAL C    1 1 
       1 364 1 1 27 VAL CA   C  1.712  -6.620   0.264 1.00 . A A . 27 VAL CA   1 1 
       1 365 1 1 27 VAL CB   C  2.025  -5.319   0.996 1.00 . A A . 27 VAL CB   1 1 
       1 366 1 1 27 VAL CG1  C  1.261  -4.179   0.328 1.00 . A A . 27 VAL CG1  1 1 
       1 367 1 1 27 VAL CG2  C  1.594  -5.441   2.458 1.00 . A A . 27 VAL CG2  1 1 
       1 368 1 1 27 VAL H    H  3.554  -7.500   0.972 1.00 . A A . 27 VAL H    1 1 
       1 369 1 1 27 VAL HA   H  0.669  -6.871   0.374 1.00 . A A . 27 VAL HA   1 1 
       1 370 1 1 27 VAL HB   H  3.086  -5.119   0.944 1.00 . A A . 27 VAL HB   1 1 
       1 371 1 1 27 VAL HG11 H  0.440  -4.589  -0.242 1.00 . A A . 27 VAL HG11 1 1 
       1 372 1 1 27 VAL HG12 H  0.879  -3.509   1.082 1.00 . A A . 27 VAL HG12 1 1 
       1 373 1 1 27 VAL HG13 H  1.925  -3.641  -0.333 1.00 . A A . 27 VAL HG13 1 1 
       1 374 1 1 27 VAL HG21 H  1.962  -6.372   2.864 1.00 . A A . 27 VAL HG21 1 1 
       1 375 1 1 27 VAL HG22 H  2.000  -4.617   3.025 1.00 . A A . 27 VAL HG22 1 1 
       1 376 1 1 27 VAL HG23 H  0.516  -5.424   2.518 1.00 . A A . 27 VAL HG23 1 1 
       1 377 1 1 27 VAL N    N  2.584  -7.653   0.898 1.00 . A A . 27 VAL N    1 1 
       1 378 1 1 27 VAL O    O  3.210  -6.205  -1.543 1.00 . A A . 27 VAL O    1 1 
       1 379 1 1 28 CYS C    C  0.782  -5.649  -4.292 1.00 . A A . 28 CYS C    1 1 
       1 380 1 1 28 CYS CA   C  1.538  -6.737  -3.536 1.00 . A A . 28 CYS CA   1 1 
       1 381 1 1 28 CYS CB   C  1.131  -8.120  -4.058 1.00 . A A . 28 CYS CB   1 1 
       1 382 1 1 28 CYS H    H  0.275  -7.052  -1.813 1.00 . A A . 28 CYS H    1 1 
       1 383 1 1 28 CYS HA   H  2.599  -6.600  -3.655 1.00 . A A . 28 CYS HA   1 1 
       1 384 1 1 28 CYS HB2  H  0.058  -8.173  -4.119 1.00 . A A . 28 CYS HB2  1 1 
       1 385 1 1 28 CYS HB3  H  1.558  -8.284  -5.038 1.00 . A A . 28 CYS HB3  1 1 
       1 386 1 1 28 CYS N    N  1.177  -6.780  -2.093 1.00 . A A . 28 CYS N    1 1 
       1 387 1 1 28 CYS O    O -0.223  -5.132  -3.846 1.00 . A A . 28 CYS O    1 1 
       1 388 1 1 28 CYS SG   S  1.708  -9.399  -2.920 1.00 . A A . 28 CYS SG   1 1 
       1 389 1 1 29 TYR C    C  0.881  -4.585  -7.760 1.00 . A A . 29 TYR C    1 1 
       1 390 1 1 29 TYR CA   C  0.637  -4.273  -6.286 1.00 . A A . 29 TYR CA   1 1 
       1 391 1 1 29 TYR CB   C  1.363  -2.990  -5.974 1.00 . A A . 29 TYR CB   1 1 
       1 392 1 1 29 TYR CD1  C  1.966  -3.234  -3.578 1.00 . A A . 29 TYR CD1  1 1 
       1 393 1 1 29 TYR CD2  C  0.305  -1.602  -4.203 1.00 . A A . 29 TYR CD2  1 1 
       1 394 1 1 29 TYR CE1  C  1.843  -2.858  -2.244 1.00 . A A . 29 TYR CE1  1 1 
       1 395 1 1 29 TYR CE2  C  0.169  -1.217  -2.871 1.00 . A A . 29 TYR CE2  1 1 
       1 396 1 1 29 TYR CG   C  1.199  -2.607  -4.546 1.00 . A A . 29 TYR CG   1 1 
       1 397 1 1 29 TYR CZ   C  0.942  -1.845  -1.884 1.00 . A A . 29 TYR CZ   1 1 
       1 398 1 1 29 TYR H    H  2.092  -5.754  -5.774 1.00 . A A . 29 TYR H    1 1 
       1 399 1 1 29 TYR HA   H -0.402  -4.175  -6.054 1.00 . A A . 29 TYR HA   1 1 
       1 400 1 1 29 TYR HB2  H  2.406  -3.117  -6.182 1.00 . A A . 29 TYR HB2  1 1 
       1 401 1 1 29 TYR HB3  H  0.963  -2.217  -6.594 1.00 . A A . 29 TYR HB3  1 1 
       1 402 1 1 29 TYR HD1  H  2.655  -4.013  -3.865 1.00 . A A . 29 TYR HD1  1 1 
       1 403 1 1 29 TYR HD2  H -0.287  -1.128  -4.969 1.00 . A A . 29 TYR HD2  1 1 
       1 404 1 1 29 TYR HE1  H  2.442  -3.344  -1.498 1.00 . A A . 29 TYR HE1  1 1 
       1 405 1 1 29 TYR HE2  H -0.521  -0.433  -2.609 1.00 . A A . 29 TYR HE2  1 1 
       1 406 1 1 29 TYR HH   H  0.369  -0.619  -0.537 1.00 . A A . 29 TYR HH   1 1 
       1 407 1 1 29 TYR N    N  1.280  -5.313  -5.450 1.00 . A A . 29 TYR N    1 1 
       1 408 1 1 29 TYR O    O  1.683  -5.430  -8.092 1.00 . A A . 29 TYR O    1 1 
       1 409 1 1 29 TYR OH   O  0.817  -1.468  -0.562 1.00 . A A . 29 TYR OH   1 1 
       1 410 1 1 30 ASP C    C  1.776  -3.468 -10.540 1.00 . A A . 30 ASP C    1 1 
       1 411 1 1 30 ASP CA   C  0.489  -4.163 -10.090 1.00 . A A . 30 ASP CA   1 1 
       1 412 1 1 30 ASP CB   C -0.718  -3.618 -10.832 1.00 . A A . 30 ASP CB   1 1 
       1 413 1 1 30 ASP CG   C -0.613  -2.097 -10.950 1.00 . A A . 30 ASP CG   1 1 
       1 414 1 1 30 ASP H    H -0.399  -3.203  -8.382 1.00 . A A . 30 ASP H    1 1 
       1 415 1 1 30 ASP HA   H  0.566  -5.208 -10.261 1.00 . A A . 30 ASP HA   1 1 
       1 416 1 1 30 ASP HB2  H -0.746  -4.063 -11.814 1.00 . A A . 30 ASP HB2  1 1 
       1 417 1 1 30 ASP HB3  H -1.616  -3.879 -10.291 1.00 . A A . 30 ASP HB3  1 1 
       1 418 1 1 30 ASP N    N  0.233  -3.898  -8.652 1.00 . A A . 30 ASP N    1 1 
       1 419 1 1 30 ASP O    O  2.578  -4.032 -11.258 1.00 . A A . 30 ASP O    1 1 
       1 420 1 1 30 ASP OD1  O -0.388  -1.458  -9.935 1.00 . A A . 30 ASP OD1  1 1 
       1 421 1 1 30 ASP OD2  O -0.760  -1.596 -12.052 1.00 . A A . 30 ASP OD2  1 1 
       1 422 1 1 31 SER C    C  4.392  -2.085  -9.612 1.00 . A A . 31 SER C    1 1 
       1 423 1 1 31 SER CA   C  3.255  -1.546 -10.486 1.00 . A A . 31 SER CA   1 1 
       1 424 1 1 31 SER CB   C  3.000  -0.067 -10.206 1.00 . A A . 31 SER CB   1 1 
       1 425 1 1 31 SER H    H  1.344  -1.844  -9.488 1.00 . A A . 31 SER H    1 1 
       1 426 1 1 31 SER HA   H  3.478  -1.674 -11.525 1.00 . A A . 31 SER HA   1 1 
       1 427 1 1 31 SER HB2  H  3.128   0.133  -9.163 1.00 . A A . 31 SER HB2  1 1 
       1 428 1 1 31 SER HB3  H  3.708   0.531 -10.779 1.00 . A A . 31 SER HB3  1 1 
       1 429 1 1 31 SER HG   H  1.729   0.804 -11.395 1.00 . A A . 31 SER HG   1 1 
       1 430 1 1 31 SER N    N  1.993  -2.261 -10.102 1.00 . A A . 31 SER N    1 1 
       1 431 1 1 31 SER O    O  4.528  -1.669  -8.485 1.00 . A A . 31 SER O    1 1 
       1 432 1 1 31 SER OG   O  1.675   0.263 -10.603 1.00 . A A . 31 SER OG   1 1 
       1 433 1 1 32 LYS C    C  6.753  -2.297  -8.377 1.00 . A A . 32 LYS C    1 1 
       1 434 1 1 32 LYS CA   C  6.278  -3.512  -9.163 1.00 . A A . 32 LYS CA   1 1 
       1 435 1 1 32 LYS CB   C  7.391  -4.095 -10.065 1.00 . A A . 32 LYS CB   1 1 
       1 436 1 1 32 LYS CD   C  9.586  -3.547 -11.142 1.00 . A A . 32 LYS CD   1 1 
       1 437 1 1 32 LYS CE   C  9.361  -4.267 -12.485 1.00 . A A . 32 LYS CE   1 1 
       1 438 1 1 32 LYS CG   C  8.247  -2.967 -10.647 1.00 . A A . 32 LYS CG   1 1 
       1 439 1 1 32 LYS H    H  5.111  -3.366 -10.982 1.00 . A A . 32 LYS H    1 1 
       1 440 1 1 32 LYS HA   H  5.882  -4.269  -8.483 1.00 . A A . 32 LYS HA   1 1 
       1 441 1 1 32 LYS HB2  H  8.024  -4.770  -9.492 1.00 . A A . 32 LYS HB2  1 1 
       1 442 1 1 32 LYS HB3  H  6.931  -4.640 -10.881 1.00 . A A . 32 LYS HB3  1 1 
       1 443 1 1 32 LYS HD2  H 10.310  -2.746 -11.274 1.00 . A A . 32 LYS HD2  1 1 
       1 444 1 1 32 LYS HD3  H  9.970  -4.256 -10.415 1.00 . A A . 32 LYS HD3  1 1 
       1 445 1 1 32 LYS HE2  H  8.579  -5.013 -12.389 1.00 . A A . 32 LYS HE2  1 1 
       1 446 1 1 32 LYS HE3  H  9.107  -3.559 -13.263 1.00 . A A . 32 LYS HE3  1 1 
       1 447 1 1 32 LYS HG2  H  7.726  -2.512 -11.476 1.00 . A A . 32 LYS HG2  1 1 
       1 448 1 1 32 LYS HG3  H  8.428  -2.225  -9.882 1.00 . A A . 32 LYS HG3  1 1 
       1 449 1 1 32 LYS HZ1  H 11.097  -5.262 -11.914 1.00 . A A . 32 LYS HZ1  1 1 
       1 450 1 1 32 LYS HZ2  H 10.510  -5.717 -13.439 1.00 . A A . 32 LYS HZ2  1 1 
       1 451 1 1 32 LYS HZ3  H 11.299  -4.224 -13.244 1.00 . A A . 32 LYS HZ3  1 1 
       1 452 1 1 32 LYS N    N  5.207  -3.010 -10.075 1.00 . A A . 32 LYS N    1 1 
       1 453 1 1 32 LYS NZ   N 10.665  -4.916 -12.794 1.00 . A A . 32 LYS NZ   1 1 
       1 454 1 1 32 LYS O    O  6.987  -2.354  -7.180 1.00 . A A . 32 LYS O    1 1 
       1 455 1 1 33 ALA C    C  6.220   0.254  -7.192 1.00 . A A . 33 ALA C    1 1 
       1 456 1 1 33 ALA CA   C  7.195   0.060  -8.340 1.00 . A A . 33 ALA CA   1 1 
       1 457 1 1 33 ALA CB   C  7.026   1.172  -9.374 1.00 . A A . 33 ALA CB   1 1 
       1 458 1 1 33 ALA H    H  6.589  -1.131  -9.978 1.00 . A A . 33 ALA H    1 1 
       1 459 1 1 33 ALA HA   H  8.215   0.008  -7.981 1.00 . A A . 33 ALA HA   1 1 
       1 460 1 1 33 ALA HB1  H  7.546   0.906 -10.282 1.00 . A A . 33 ALA HB1  1 1 
       1 461 1 1 33 ALA HB2  H  5.972   1.297  -9.586 1.00 . A A . 33 ALA HB2  1 1 
       1 462 1 1 33 ALA HB3  H  7.426   2.096  -8.983 1.00 . A A . 33 ALA HB3  1 1 
       1 463 1 1 33 ALA N    N  6.826  -1.172  -9.037 1.00 . A A . 33 ALA N    1 1 
       1 464 1 1 33 ALA O    O  6.612   0.545  -6.102 1.00 . A A . 33 ALA O    1 1 
       1 465 1 1 34 ILE C    C  4.427  -0.672  -5.164 1.00 . A A . 34 ILE C    1 1 
       1 466 1 1 34 ILE CA   C  4.007   0.240  -6.288 1.00 . A A . 34 ILE CA   1 1 
       1 467 1 1 34 ILE CB   C  2.679  -0.118  -6.868 1.00 . A A . 34 ILE CB   1 1 
       1 468 1 1 34 ILE CD1  C  0.679   0.966  -7.829 1.00 . A A . 34 ILE CD1  1 1 
       1 469 1 1 34 ILE CG1  C  2.176   1.085  -7.657 1.00 . A A . 34 ILE CG1  1 1 
       1 470 1 1 34 ILE CG2  C  1.690  -0.485  -5.762 1.00 . A A . 34 ILE CG2  1 1 
       1 471 1 1 34 ILE H    H  4.590  -0.198  -8.290 1.00 . A A . 34 ILE H    1 1 
       1 472 1 1 34 ILE HA   H  4.003   1.245  -5.969 1.00 . A A . 34 ILE HA   1 1 
       1 473 1 1 34 ILE HB   H  2.828  -0.948  -7.540 1.00 . A A . 34 ILE HB   1 1 
       1 474 1 1 34 ILE HD11 H  0.402  -0.072  -7.800 1.00 . A A . 34 ILE HD11 1 1 
       1 475 1 1 34 ILE HD12 H  0.194   1.491  -7.020 1.00 . A A . 34 ILE HD12 1 1 
       1 476 1 1 34 ILE HD13 H  0.389   1.399  -8.771 1.00 . A A . 34 ILE HD13 1 1 
       1 477 1 1 34 ILE HG12 H  2.407   1.995  -7.123 1.00 . A A . 34 ILE HG12 1 1 
       1 478 1 1 34 ILE HG13 H  2.650   1.103  -8.627 1.00 . A A . 34 ILE HG13 1 1 
       1 479 1 1 34 ILE HG21 H  1.975   0.012  -4.847 1.00 . A A . 34 ILE HG21 1 1 
       1 480 1 1 34 ILE HG22 H  0.698  -0.171  -6.049 1.00 . A A . 34 ILE HG22 1 1 
       1 481 1 1 34 ILE HG23 H  1.700  -1.554  -5.611 1.00 . A A . 34 ILE HG23 1 1 
       1 482 1 1 34 ILE N    N  4.938   0.073  -7.409 1.00 . A A . 34 ILE N    1 1 
       1 483 1 1 34 ILE O    O  4.176  -0.435  -4.003 1.00 . A A . 34 ILE O    1 1 
       1 484 1 1 35 CYS C    C  6.603  -1.839  -3.624 1.00 . A A . 35 CYS C    1 1 
       1 485 1 1 35 CYS CA   C  5.645  -2.635  -4.499 1.00 . A A . 35 CYS CA   1 1 
       1 486 1 1 35 CYS CB   C  6.410  -3.739  -5.250 1.00 . A A . 35 CYS CB   1 1 
       1 487 1 1 35 CYS H    H  5.305  -1.801  -6.482 1.00 . A A . 35 CYS H    1 1 
       1 488 1 1 35 CYS HA   H  4.842  -3.055  -3.912 1.00 . A A . 35 CYS HA   1 1 
       1 489 1 1 35 CYS HB2  H  5.712  -4.309  -5.872 1.00 . A A . 35 CYS HB2  1 1 
       1 490 1 1 35 CYS HB3  H  7.198  -3.288  -5.866 1.00 . A A . 35 CYS HB3  1 1 
       1 491 1 1 35 CYS N    N  5.116  -1.690  -5.527 1.00 . A A . 35 CYS N    1 1 
       1 492 1 1 35 CYS O    O  6.297  -1.489  -2.503 1.00 . A A . 35 CYS O    1 1 
       1 493 1 1 35 CYS SG   S  7.178  -4.851  -4.040 1.00 . A A . 35 CYS SG   1 1 
       1 494 1 1 36 ASN C    C  8.073   0.612  -2.874 1.00 . A A . 36 ASN C    1 1 
       1 495 1 1 36 ASN CA   C  8.730  -0.700  -3.357 1.00 . A A . 36 ASN CA   1 1 
       1 496 1 1 36 ASN CB   C  9.871  -0.395  -4.341 1.00 . A A . 36 ASN CB   1 1 
       1 497 1 1 36 ASN CG   C 10.555  -1.702  -4.747 1.00 . A A . 36 ASN CG   1 1 
       1 498 1 1 36 ASN H    H  7.964  -1.806  -5.083 1.00 . A A . 36 ASN H    1 1 
       1 499 1 1 36 ASN HA   H  9.107  -1.261  -2.511 1.00 . A A . 36 ASN HA   1 1 
       1 500 1 1 36 ASN HB2  H  9.473   0.094  -5.226 1.00 . A A . 36 ASN HB2  1 1 
       1 501 1 1 36 ASN HB3  H 10.594   0.254  -3.867 1.00 . A A . 36 ASN HB3  1 1 
       1 502 1 1 36 ASN HD21 H 12.284  -0.828  -5.181 1.00 . A A . 36 ASN HD21 1 1 
       1 503 1 1 36 ASN HD22 H 12.244  -2.510  -5.407 1.00 . A A . 36 ASN HD22 1 1 
       1 504 1 1 36 ASN N    N  7.751  -1.520  -4.149 1.00 . A A . 36 ASN N    1 1 
       1 505 1 1 36 ASN ND2  N 11.798  -1.678  -5.144 1.00 . A A . 36 ASN ND2  1 1 
       1 506 1 1 36 ASN O    O  8.106   0.950  -1.708 1.00 . A A . 36 ASN O    1 1 
       1 507 1 1 36 ASN OD1  O  9.954  -2.757  -4.702 1.00 . A A . 36 ASN OD1  1 1 
       1 508 1 1 37 LYS C    C  5.714   2.518  -2.448 1.00 . A A . 37 LYS C    1 1 
       1 509 1 1 37 LYS CA   C  6.842   2.653  -3.464 1.00 . A A . 37 LYS CA   1 1 
       1 510 1 1 37 LYS CB   C  6.282   3.122  -4.806 1.00 . A A . 37 LYS CB   1 1 
       1 511 1 1 37 LYS CD   C  4.257   4.337  -3.960 1.00 . A A . 37 LYS CD   1 1 
       1 512 1 1 37 LYS CE   C  3.322   5.465  -4.413 1.00 . A A . 37 LYS CE   1 1 
       1 513 1 1 37 LYS CG   C  5.619   4.495  -4.644 1.00 . A A . 37 LYS CG   1 1 
       1 514 1 1 37 LYS H    H  7.505   1.041  -4.710 1.00 . A A . 37 LYS H    1 1 
       1 515 1 1 37 LYS HA   H  7.560   3.356  -3.115 1.00 . A A . 37 LYS HA   1 1 
       1 516 1 1 37 LYS HB2  H  7.086   3.193  -5.524 1.00 . A A . 37 LYS HB2  1 1 
       1 517 1 1 37 LYS HB3  H  5.553   2.408  -5.154 1.00 . A A . 37 LYS HB3  1 1 
       1 518 1 1 37 LYS HD2  H  3.826   3.383  -4.229 1.00 . A A . 37 LYS HD2  1 1 
       1 519 1 1 37 LYS HD3  H  4.385   4.386  -2.889 1.00 . A A . 37 LYS HD3  1 1 
       1 520 1 1 37 LYS HE2  H  2.956   5.273  -5.413 1.00 . A A . 37 LYS HE2  1 1 
       1 521 1 1 37 LYS HE3  H  2.497   5.572  -3.724 1.00 . A A . 37 LYS HE3  1 1 
       1 522 1 1 37 LYS HG2  H  6.252   5.130  -4.041 1.00 . A A . 37 LYS HG2  1 1 
       1 523 1 1 37 LYS HG3  H  5.481   4.944  -5.616 1.00 . A A . 37 LYS HG3  1 1 
       1 524 1 1 37 LYS HZ1  H  5.144   6.445  -4.643 1.00 . A A . 37 LYS HZ1  1 1 
       1 525 1 1 37 LYS HZ2  H  3.794   7.380  -5.080 1.00 . A A . 37 LYS HZ2  1 1 
       1 526 1 1 37 LYS HZ3  H  4.145   7.113  -3.442 1.00 . A A . 37 LYS HZ3  1 1 
       1 527 1 1 37 LYS N    N  7.500   1.347  -3.785 1.00 . A A . 37 LYS N    1 1 
       1 528 1 1 37 LYS NZ   N  4.165   6.693  -4.393 1.00 . A A . 37 LYS NZ   1 1 
       1 529 1 1 37 LYS O    O  5.877   2.789  -1.275 1.00 . A A . 37 LYS O    1 1 
       1 530 1 1 38 ASN C    C  3.719   0.958  -0.939 1.00 . A A . 38 ASN C    1 1 
       1 531 1 1 38 ASN CA   C  3.414   1.969  -2.016 1.00 . A A . 38 ASN CA   1 1 
       1 532 1 1 38 ASN CB   C  2.353   1.479  -2.955 1.00 . A A . 38 ASN CB   1 1 
       1 533 1 1 38 ASN CG   C  1.820   2.651  -3.770 1.00 . A A . 38 ASN CG   1 1 
       1 534 1 1 38 ASN H    H  4.458   1.900  -3.839 1.00 . A A . 38 ASN H    1 1 
       1 535 1 1 38 ASN HA   H  3.130   2.895  -1.611 1.00 . A A . 38 ASN HA   1 1 
       1 536 1 1 38 ASN HB2  H  2.802   0.764  -3.621 1.00 . A A . 38 ASN HB2  1 1 
       1 537 1 1 38 ASN HB3  H  1.559   1.029  -2.395 1.00 . A A . 38 ASN HB3  1 1 
       1 538 1 1 38 ASN HD21 H  2.918   2.188  -5.349 1.00 . A A . 38 ASN HD21 1 1 
       1 539 1 1 38 ASN HD22 H  1.918   3.554  -5.533 1.00 . A A . 38 ASN HD22 1 1 
       1 540 1 1 38 ASN N    N  4.568   2.116  -2.901 1.00 . A A . 38 ASN N    1 1 
       1 541 1 1 38 ASN ND2  N  2.254   2.813  -4.984 1.00 . A A . 38 ASN ND2  1 1 
       1 542 1 1 38 ASN O    O  3.322   1.093   0.201 1.00 . A A . 38 ASN O    1 1 
       1 543 1 1 38 ASN OD1  O  1.040   3.446  -3.285 1.00 . A A . 38 ASN OD1  1 1 
       1 544 1 1 39 CYS C    C  5.381  -0.442   0.959 1.00 . A A . 39 CYS C    1 1 
       1 545 1 1 39 CYS CA   C  4.778  -1.093  -0.287 1.00 . A A . 39 CYS CA   1 1 
       1 546 1 1 39 CYS CB   C  5.813  -1.995  -0.946 1.00 . A A . 39 CYS CB   1 1 
       1 547 1 1 39 CYS H    H  4.733  -0.130  -2.242 1.00 . A A . 39 CYS H    1 1 
       1 548 1 1 39 CYS HA   H  3.906  -1.664  -0.032 1.00 . A A . 39 CYS HA   1 1 
       1 549 1 1 39 CYS HB2  H  6.526  -1.397  -1.491 1.00 . A A . 39 CYS HB2  1 1 
       1 550 1 1 39 CYS HB3  H  6.330  -2.563  -0.181 1.00 . A A . 39 CYS HB3  1 1 
       1 551 1 1 39 CYS N    N  4.431  -0.055  -1.299 1.00 . A A . 39 CYS N    1 1 
       1 552 1 1 39 CYS O    O  5.267  -0.952   2.056 1.00 . A A . 39 CYS O    1 1 
       1 553 1 1 39 CYS SG   S  4.970  -3.135  -2.064 1.00 . A A . 39 CYS SG   1 1 
       1 554 1 1 40 THR C    C  5.564   2.076   2.793 1.00 . A A . 40 THR C    1 1 
       1 555 1 1 40 THR CA   C  6.641   1.362   1.973 1.00 . A A . 40 THR CA   1 1 
       1 556 1 1 40 THR CB   C  7.643   2.364   1.384 1.00 . A A . 40 THR CB   1 1 
       1 557 1 1 40 THR CG2  C  8.913   1.628   0.908 1.00 . A A . 40 THR CG2  1 1 
       1 558 1 1 40 THR H    H  6.098   1.077  -0.095 1.00 . A A . 40 THR H    1 1 
       1 559 1 1 40 THR HA   H  7.158   0.644   2.592 1.00 . A A . 40 THR HA   1 1 
       1 560 1 1 40 THR HB   H  7.911   3.090   2.141 1.00 . A A . 40 THR HB   1 1 
       1 561 1 1 40 THR HG1  H  6.832   3.928   0.559 1.00 . A A . 40 THR HG1  1 1 
       1 562 1 1 40 THR HG21 H  8.655   0.637   0.557 1.00 . A A . 40 THR HG21 1 1 
       1 563 1 1 40 THR HG22 H  9.370   2.184   0.100 1.00 . A A . 40 THR HG22 1 1 
       1 564 1 1 40 THR HG23 H  9.615   1.546   1.727 1.00 . A A . 40 THR HG23 1 1 
       1 565 1 1 40 THR N    N  6.025   0.680   0.798 1.00 . A A . 40 THR N    1 1 
       1 566 1 1 40 THR O    O  5.180   1.544   3.822 1.00 . A A . 40 THR O    1 1 
       1 567 1 1 40 THR OXT  O  5.141   3.143   2.378 1.00 . A A . 40 THR OXT  1 1 
       1 568 1 1 40 THR OG1  O  7.042   3.032   0.283 1.00 . A A . 40 THR OG1  1 1 
    stop_

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