diff --git a/.github/workflows/pr.yaml b/.github/workflows/pr.yaml index 0e530a68..9bb51875 100644 --- a/.github/workflows/pr.yaml +++ b/.github/workflows/pr.yaml @@ -65,13 +65,20 @@ jobs: if: steps.changed-src.outputs.any_changed == 'true' && steps.changed-base.outputs.any_changed != 'true' run: python flows/docker.py pull - name: Build image - if: steps.changed-src.outputs.any_changed == 'true' + if: steps.changed-base.outputs.any_changed == 'true' || steps.changed-src.outputs.any_changed == 'true' run: python flows/docker.py build - name: Run test image - if: steps.changed-src.outputs.any_changed == 'true' - run: python flows/docker.py test + if: steps.changed-base.outputs.any_changed == 'true' || steps.changed-src.outputs.any_changed == 'true' + run: | + python flows/docker.py test + if ! test -f reports/.coverage; then + echo "Missing test coverage reports (reports/.coverage). Not all tests have passed?" + exit 1 + else + echo "Test coverage report found!" + fi - name: Copy and surgery coverage - if: steps.changed-src.outputs.any_changed == 'true' + if: steps.changed-base.outputs.any_changed == 'true' || steps.changed-src.outputs.any_changed == 'true' run: | cp reports/.coverage . sqlite3 .coverage "update file set path='src/' || substr(path, 40);" diff --git a/dockerfiles/base/requirements.txt b/dockerfiles/base/requirements.txt index 8e6fc810..25663eec 100644 --- a/dockerfiles/base/requirements.txt +++ b/dockerfiles/base/requirements.txt @@ -19,7 +19,7 @@ async-timeout==4.0.3 # via aiohttp attrs==24.2.0 # via aiohttp, jsonschema, pytest, referencing babel==2.16.0 # via jupyterlab-server beautifulsoup4==4.12.3 # via nbconvert -biotite==0.39.0 # via plinder (pyproject.toml) +biotite==1.0.1 # via plinder (pyproject.toml) bleach==6.1.0 # via nbconvert build==0.9.0 # via plinder (pyproject.toml) cachetools==5.5.0 # via google-auth, tox diff --git a/requirements_data.txt b/requirements_data.txt index 68418a69..0d4e69d9 100644 --- a/requirements_data.txt +++ b/requirements_data.txt @@ -2,4 +2,4 @@ tabulate pdb-validation @ git+https://git.scicore.unibas.ch/schwede/ligand-validation.git mmpdb @ git+https://github.com/rdkit/mmpdb.git - torch + https://download.pytorch.org/whl/cpu/torch-2.5.1%2Bcpu-cp310-cp310-linux_x86_64.whl#sha256=7f91a2200e352745d70e22396bd501448e28350fbdbd8d8b1c83037e25451150 diff --git a/src/plinder/core/utils/gcs.py b/src/plinder/core/utils/gcs.py index 28f1be45..4de4a27f 100644 --- a/src/plinder/core/utils/gcs.py +++ b/src/plinder/core/utils/gcs.py @@ -72,7 +72,7 @@ def download_as_str( ) -> str: assert bucket is not None blob = bucket.blob("/".join(Path(gcs_path).parts[2:])) - return str(blob.download_as_string().decode("utf8")) + return str(blob.download_as_bytes().decode("utf8")) @retry diff --git a/src/plinder/data/pipeline/pipeline.py b/src/plinder/data/pipeline/pipeline.py index a9d9f589..46612427 100644 --- a/src/plinder/data/pipeline/pipeline.py +++ b/src/plinder/data/pipeline/pipeline.py @@ -17,8 +17,7 @@ class IngestPipeline: - scatter - compute - join - by convention in method names. This could be - enforced with a metaclass construct but not enough time. + by convention in method names. scatter methods return lists of lists of primitives compute methods may return something if intended to be joined diff --git a/tests/core/test_core_system.py b/tests/core/test_core_system.py index 2235f11e..0743eb97 100644 --- a/tests/core/test_core_system.py +++ b/tests/core/test_core_system.py @@ -10,14 +10,17 @@ [ "19hc__1__1.A_1.B__1.D_1.L_1.Q_1.S_1.U", "19hc__1__1.A_1.B__1.E_1.F_1.H_1.J_1.O", + "19hc__1__1.A_1.B__1.G", "19hc__1__1.A_1.B__1.K_1.M_1.N", + "19hc__1__1.A_1.B__1.R", "19hc__1__1.A_1.B__1.V_1.X_1.Y", - "19hc__1__1.A__1.G", + "19hc__1__1.A_1.B__1.W", "19hc__1__1.A__1.I", + "19hc__1__1.B__1.T", ], ) def test_plinder_system(system_id, read_plinder_mount): - index.PlinderSystem(system_id=system_id) + index.PlinderSystem(system_id=system_id).system @pytest.mark.parametrize( @@ -35,7 +38,7 @@ def test_plinder_system_fails(system_id, read_plinder_mount): def test_plinder_system_system_files(read_plinder_mount): system_id = "19hc__1__1.A_1.B__1.V_1.X_1.Y" s = index.PlinderSystem(system_id=system_id) - assert len(s.structures) == 10 + assert len(s.structures) == 9 assert len(s.ligand_sdfs) == 3 assert len(s.system_cif) assert len(s.receptor_cif) diff --git a/tests/core/test_gcs.py b/tests/core/test_gcs.py index 7052521c..a029eb19 100644 --- a/tests/core/test_gcs.py +++ b/tests/core/test_gcs.py @@ -11,7 +11,7 @@ class _Blob: def __init__(self, name): self.name = name - def download_as_string(self): + def download_as_bytes(self): return b"test" def download_to_filename(self, local_path): diff --git a/tests/core/test_superimpose.py b/tests/core/test_superimpose.py index b49e2554..7757ebb6 100644 --- a/tests/core/test_superimpose.py +++ b/tests/core/test_superimpose.py @@ -8,7 +8,9 @@ def test_superimpose_chain(read_plinder_mount): In all cases the superimposed structure should have the original number of atoms and a low RMSD to the fixed structure. """ - system_id_1 = "19hc__1__1.A__1.G" + # TODO: review if this test is still relevant + pass + system_id_1 = "19hc__1__1.A_1.B__1.G" system_id_2 = "19hc__1__1.A_1.B__1.V_1.X_1.Y" # system_dir_1 = read_plinder_mount / "systems" / system_id_1 # system_dir_2 = read_plinder_mount / "systems" / system_id_2 @@ -20,12 +22,18 @@ def test_superimpose_chain(read_plinder_mount): chain_1_array = struct1.protein_atom_array[ struct1.protein_atom_array.chain_id == chain_id_1 ] - # TODO: test assertions here - # chain_2_array = sys_2.protein_atom_array[ - # sys_2.protein_atom_array.chain_id == chain_id_2 + # # TODO: test assertions here + # chain_2_array = struct2.protein_atom_array[ + # struct2.protein_atom_array.chain_id == chain_id_2 # ] + super_chain_1, raw_rmsd, refined_rmsd = struct1.superimpose(struct2) assert isinstance(super_chain_1, Structure) - assert super_chain_1.protein_atom_array.shape == chain_1_array.shape - assert (raw_rmsd == 0 and refined_rmsd == 0) or raw_rmsd > refined_rmsd + super_chain_1_array = super_chain_1.protein_atom_array[ + super_chain_1.protein_atom_array.chain_id == chain_id_1 + ] + assert super_chain_1_array.shape == chain_1_array.shape + + # check alignment quality + assert abs(raw_rmsd - refined_rmsd) < 0.01 or raw_rmsd > refined_rmsd assert refined_rmsd < 2.0 diff --git a/tests/test_data/plinder/mount/entries/9h.zip b/tests/test_data/plinder/mount/entries/9h.zip index 0633d793..20bfd641 100644 Binary files a/tests/test_data/plinder/mount/entries/9h.zip and b/tests/test_data/plinder/mount/entries/9h.zip differ diff --git a/tests/test_data/plinder/mount/systems/9h.zip b/tests/test_data/plinder/mount/systems/9h.zip index f13ae094..f926e804 100644 Binary files a/tests/test_data/plinder/mount/systems/9h.zip and b/tests/test_data/plinder/mount/systems/9h.zip differ diff --git a/tests/test_data/ww/pdb_00001dmr/1dmr-assembly.cif b/tests/test_data/ww/pdb_00001dmr/1dmr-assembly.cif deleted file mode 100644 index 3b8d14c2..00000000 --- a/tests/test_data/ww/pdb_00001dmr/1dmr-assembly.cif +++ /dev/null @@ -1,10039 +0,0 @@ -data_1DMR -# -_entry.id 1DMR -# -_audit_conform.dict_name mmcif_pdbx.dic -_audit_conform.dict_version 5.362 -_audit_conform.dict_location http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic -# -loop_ -_database_2.database_id -_database_2.database_code -_database_2.pdbx_database_accession -_database_2.pdbx_DOI -PDB 1DMR pdb_00001dmr 10.2210/pdb1dmr/pdb -WWPDB D_1000172845 ? ? -# -_pdbx_database_status.status_code REL -_pdbx_database_status.entry_id 1DMR -_pdbx_database_status.recvd_initial_deposition_date 1997-04-22 -_pdbx_database_status.deposit_site ? -_pdbx_database_status.process_site BNL -_pdbx_database_status.status_code_sf REL -_pdbx_database_status.status_code_mr ? -_pdbx_database_status.SG_entry ? -_pdbx_database_status.pdb_format_compatible Y -_pdbx_database_status.status_code_cs ? -_pdbx_database_status.status_code_nmr_data ? -_pdbx_database_status.methods_development_category ? -# -loop_ -_audit_author.name -_audit_author.pdbx_ordinal -'Mcalpine, A.S.' 1 -'Bailey, S.' 2 -# -_citation.id primary -_citation.title -;Molybdenum Active Centre of Dmso Reductase from Rhodobacter Capsulatus: Crystal Structure of the Oxidised Enzyme at 1.82-A Resolution and the Dithionite-Reduced Enzyme at 2.8-A Resolution -; -_citation.journal_abbrev J.Biol.Inorg.Chem. -_citation.journal_volume 2 -_citation.page_first 690 -_citation.page_last 701 -_citation.year 1997 -_citation.journal_id_ASTM JJBCFA -_citation.country GW -_citation.journal_id_ISSN 0949-8257 -_citation.journal_id_CSD 2154 -_citation.book_publisher ? -_citation.pdbx_database_id_PubMed -1 -_citation.pdbx_database_id_DOI ? -# -loop_ -_citation_author.citation_id -_citation_author.name -_citation_author.ordinal -_citation_author.identifier_ORCID -primary 'Mcalpine, A.S.' 1 ? -primary 'Mcewan, A.G.' 2 ? -primary 'Shaw, A.' 3 ? -primary 'Bailey, S.' 4 ? -# -_cell.entry_id 1DMR -_cell.length_a 80.880 -_cell.length_b 80.880 -_cell.length_c 229.700 -_cell.angle_alpha 90.00 -_cell.angle_beta 90.00 -_cell.angle_gamma 90.00 -_cell.Z_PDB 8 -_cell.pdbx_unique_axis ? -# -_symmetry.entry_id 1DMR -_symmetry.space_group_name_H-M 'P 41 21 2' -_symmetry.pdbx_full_space_group_name_H-M ? -_symmetry.cell_setting ? -_symmetry.Int_Tables_number 92 -# -loop_ -_entity.id -_entity.type -_entity.src_method -_entity.pdbx_description -_entity.formula_weight -_entity.pdbx_number_of_molecules -_entity.pdbx_ec -_entity.pdbx_mutation -_entity.pdbx_fragment -_entity.details -1 polymer nat 'DMSO REDUCTASE' 89524.945 1 ? ? ? ? -2 non-polymer syn -'2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE' 738.541 2 -? ? ? ? -3 non-polymer syn 'MOLYBDENUM(VI) ION' 95.940 1 ? ? ? ? -4 non-polymer syn 'OXYGEN ATOM' 15.999 2 ? ? ? ? -5 water nat water 18.015 536 ? ? ? ? -# -_entity_poly.entity_id 1 -_entity_poly.type 'polypeptide(L)' -_entity_poly.nstd_linkage no -_entity_poly.nstd_monomer no -_entity_poly.pdbx_seq_one_letter_code -;MTKFSGNELRAELYRRAFLSYSVAPGALGMFGRSLLAKGARAEALANGTVMSGSHWGVFTATVENGRATAFTPWEKDPHP -SPMLAGVLDSIYSPTRIKYPMVRREFLEKGVNADRSTRGNGDFVRVSWDQALDLVAAEVKRVEETYGPEGVFGGSYGWKS -PGRLHNCTTLLRRMLTLAGGYVNGAGDYSTGAAQVIMPHVVGTLEVYEQQTAWPVLAENTEVMVFWAADPIKTSQIGWVI -PEHGAYPGLEALKAKGTKVIVIDPVRTKTVEFFGAEHITPKPQTDVAIMLGMAHTLVAEDLYDKDFIANYTSGFDKFLPY -LDGETDSTPKTAEWAEGISGVPAETIKELARLFESKRTMLAAGWSMQRMHHGEQAHWMLVTLASMLGQIGLPGGGFGLSY -HYSGGGTPSTSGPALAGITDGGAATKGPEWLAASGASVIPVARVVDMLENPGAEFDFNGTRSKFPDVKMAYWVGGNPFVH -HQDRNRMVKAWEKLETFVVHDFQWTPTARHADIVLPATTSYERNDIETIGDYSNTGILAMKKIVEPLYEARSDYDIFAAV -AERLGKGAEFTEGKDEMGWIKSFYDDAAKQGKAAGVQMPAFDAFWAEGIVEFPVTDGADFVRYASFREDPLLNPLGTPTG -LIEIYSKNIEKMGYDDCPAHPTWMEPLERLDGPGAKYPLHIAASHPFNRLHSQLNGTVLREGYAVQGHEPCLMHPDDAAA -RGIADGDVVRVHNDRGQILTGVKVTDAVMKGVIQIYEGGWYDPSDVTEPGTLDKYGDVNVLSADIGTSKLAQGNCGQTVL -AEVEKYTGPAVTLTGFVAPKAAE -; -_entity_poly.pdbx_seq_one_letter_code_can -;MTKFSGNELRAELYRRAFLSYSVAPGALGMFGRSLLAKGARAEALANGTVMSGSHWGVFTATVENGRATAFTPWEKDPHP -SPMLAGVLDSIYSPTRIKYPMVRREFLEKGVNADRSTRGNGDFVRVSWDQALDLVAAEVKRVEETYGPEGVFGGSYGWKS -PGRLHNCTTLLRRMLTLAGGYVNGAGDYSTGAAQVIMPHVVGTLEVYEQQTAWPVLAENTEVMVFWAADPIKTSQIGWVI -PEHGAYPGLEALKAKGTKVIVIDPVRTKTVEFFGAEHITPKPQTDVAIMLGMAHTLVAEDLYDKDFIANYTSGFDKFLPY -LDGETDSTPKTAEWAEGISGVPAETIKELARLFESKRTMLAAGWSMQRMHHGEQAHWMLVTLASMLGQIGLPGGGFGLSY -HYSGGGTPSTSGPALAGITDGGAATKGPEWLAASGASVIPVARVVDMLENPGAEFDFNGTRSKFPDVKMAYWVGGNPFVH -HQDRNRMVKAWEKLETFVVHDFQWTPTARHADIVLPATTSYERNDIETIGDYSNTGILAMKKIVEPLYEARSDYDIFAAV -AERLGKGAEFTEGKDEMGWIKSFYDDAAKQGKAAGVQMPAFDAFWAEGIVEFPVTDGADFVRYASFREDPLLNPLGTPTG -LIEIYSKNIEKMGYDDCPAHPTWMEPLERLDGPGAKYPLHIAASHPFNRLHSQLNGTVLREGYAVQGHEPCLMHPDDAAA -RGIADGDVVRVHNDRGQILTGVKVTDAVMKGVIQIYEGGWYDPSDVTEPGTLDKYGDVNVLSADIGTSKLAQGNCGQTVL -AEVEKYTGPAVTLTGFVAPKAAE -; -_entity_poly.pdbx_strand_id A -_entity_poly.pdbx_target_identifier ? -# -loop_ -_entity_poly_seq.entity_id -_entity_poly_seq.num -_entity_poly_seq.mon_id -_entity_poly_seq.hetero -1 1 MET n -1 2 THR n -1 3 LYS n -1 4 PHE n -1 5 SER n -1 6 GLY n -1 7 ASN n -1 8 GLU n -1 9 LEU n -1 10 ARG n -1 11 ALA n -1 12 GLU n -1 13 LEU n -1 14 TYR n -1 15 ARG n -1 16 ARG n -1 17 ALA n -1 18 PHE n -1 19 LEU n -1 20 SER n -1 21 TYR n -1 22 SER n -1 23 VAL n -1 24 ALA n -1 25 PRO n -1 26 GLY n -1 27 ALA n -1 28 LEU n -1 29 GLY n -1 30 MET n -1 31 PHE n -1 32 GLY n -1 33 ARG n -1 34 SER n -1 35 LEU n -1 36 LEU n -1 37 ALA n -1 38 LYS n -1 39 GLY n -1 40 ALA n -1 41 ARG n -1 42 ALA n -1 43 GLU n -1 44 ALA n -1 45 LEU n -1 46 ALA n -1 47 ASN n -1 48 GLY n -1 49 THR n -1 50 VAL n -1 51 MET n -1 52 SER n -1 53 GLY n -1 54 SER n -1 55 HIS n -1 56 TRP n -1 57 GLY n -1 58 VAL n -1 59 PHE n -1 60 THR n -1 61 ALA n -1 62 THR n -1 63 VAL n -1 64 GLU n -1 65 ASN n -1 66 GLY n -1 67 ARG n -1 68 ALA n -1 69 THR n -1 70 ALA n -1 71 PHE n -1 72 THR n -1 73 PRO n -1 74 TRP n -1 75 GLU n -1 76 LYS n -1 77 ASP n -1 78 PRO n -1 79 HIS n -1 80 PRO n -1 81 SER n -1 82 PRO n -1 83 MET n -1 84 LEU n -1 85 ALA n -1 86 GLY n -1 87 VAL n -1 88 LEU n -1 89 ASP n -1 90 SER n -1 91 ILE n -1 92 TYR n -1 93 SER n -1 94 PRO n -1 95 THR n -1 96 ARG n -1 97 ILE n -1 98 LYS n -1 99 TYR n -1 100 PRO n -1 101 MET n -1 102 VAL n -1 103 ARG n -1 104 ARG n -1 105 GLU n -1 106 PHE n -1 107 LEU n -1 108 GLU n -1 109 LYS n -1 110 GLY n -1 111 VAL n -1 112 ASN n -1 113 ALA n -1 114 ASP n -1 115 ARG n -1 116 SER n -1 117 THR n -1 118 ARG n -1 119 GLY n -1 120 ASN n -1 121 GLY n -1 122 ASP n -1 123 PHE n -1 124 VAL n -1 125 ARG n -1 126 VAL n -1 127 SER n -1 128 TRP n -1 129 ASP n -1 130 GLN n -1 131 ALA n -1 132 LEU n -1 133 ASP n -1 134 LEU n -1 135 VAL n -1 136 ALA n -1 137 ALA n -1 138 GLU n -1 139 VAL n -1 140 LYS n -1 141 ARG n -1 142 VAL n -1 143 GLU n -1 144 GLU n -1 145 THR n -1 146 TYR n -1 147 GLY n -1 148 PRO n -1 149 GLU n -1 150 GLY n -1 151 VAL n -1 152 PHE n -1 153 GLY n -1 154 GLY n -1 155 SER n -1 156 TYR n -1 157 GLY n -1 158 TRP n -1 159 LYS n -1 160 SER n -1 161 PRO n -1 162 GLY n -1 163 ARG n -1 164 LEU n -1 165 HIS n -1 166 ASN n -1 167 CYS n -1 168 THR n -1 169 THR n -1 170 LEU n -1 171 LEU n -1 172 ARG n -1 173 ARG n -1 174 MET n -1 175 LEU n -1 176 THR n -1 177 LEU n -1 178 ALA n -1 179 GLY n -1 180 GLY n -1 181 TYR n -1 182 VAL n -1 183 ASN n -1 184 GLY n -1 185 ALA n -1 186 GLY n -1 187 ASP n -1 188 TYR n -1 189 SER n -1 190 THR n -1 191 GLY n -1 192 ALA n -1 193 ALA n -1 194 GLN n -1 195 VAL n -1 196 ILE n -1 197 MET n -1 198 PRO n -1 199 HIS n -1 200 VAL n -1 201 VAL n -1 202 GLY n -1 203 THR n -1 204 LEU n -1 205 GLU n -1 206 VAL n -1 207 TYR n -1 208 GLU n -1 209 GLN n -1 210 GLN n -1 211 THR n -1 212 ALA n -1 213 TRP n -1 214 PRO n -1 215 VAL n -1 216 LEU n -1 217 ALA n -1 218 GLU n -1 219 ASN n -1 220 THR n -1 221 GLU n -1 222 VAL n -1 223 MET n -1 224 VAL n -1 225 PHE n -1 226 TRP n -1 227 ALA n -1 228 ALA n -1 229 ASP n -1 230 PRO n -1 231 ILE n -1 232 LYS n -1 233 THR n -1 234 SER n -1 235 GLN n -1 236 ILE n -1 237 GLY n -1 238 TRP n -1 239 VAL n -1 240 ILE n -1 241 PRO n -1 242 GLU n -1 243 HIS n -1 244 GLY n -1 245 ALA n -1 246 TYR n -1 247 PRO n -1 248 GLY n -1 249 LEU n -1 250 GLU n -1 251 ALA n -1 252 LEU n -1 253 LYS n -1 254 ALA n -1 255 LYS n -1 256 GLY n -1 257 THR n -1 258 LYS n -1 259 VAL n -1 260 ILE n -1 261 VAL n -1 262 ILE n -1 263 ASP n -1 264 PRO n -1 265 VAL n -1 266 ARG n -1 267 THR n -1 268 LYS n -1 269 THR n -1 270 VAL n -1 271 GLU n -1 272 PHE n -1 273 PHE n -1 274 GLY n -1 275 ALA n -1 276 GLU n -1 277 HIS n -1 278 ILE n -1 279 THR n -1 280 PRO n -1 281 LYS n -1 282 PRO n -1 283 GLN n -1 284 THR n -1 285 ASP n -1 286 VAL n -1 287 ALA n -1 288 ILE n -1 289 MET n -1 290 LEU n -1 291 GLY n -1 292 MET n -1 293 ALA n -1 294 HIS n -1 295 THR n -1 296 LEU n -1 297 VAL n -1 298 ALA n -1 299 GLU n -1 300 ASP n -1 301 LEU n -1 302 TYR n -1 303 ASP n -1 304 LYS n -1 305 ASP n -1 306 PHE n -1 307 ILE n -1 308 ALA n -1 309 ASN n -1 310 TYR n -1 311 THR n -1 312 SER n -1 313 GLY n -1 314 PHE n -1 315 ASP n -1 316 LYS n -1 317 PHE n -1 318 LEU n -1 319 PRO n -1 320 TYR n -1 321 LEU n -1 322 ASP n -1 323 GLY n -1 324 GLU n -1 325 THR n -1 326 ASP n -1 327 SER n -1 328 THR n -1 329 PRO n -1 330 LYS n -1 331 THR n -1 332 ALA n -1 333 GLU n -1 334 TRP n -1 335 ALA n -1 336 GLU n -1 337 GLY n -1 338 ILE n -1 339 SER n -1 340 GLY n -1 341 VAL n -1 342 PRO n -1 343 ALA n -1 344 GLU n -1 345 THR n -1 346 ILE n -1 347 LYS n -1 348 GLU n -1 349 LEU n -1 350 ALA n -1 351 ARG n -1 352 LEU n -1 353 PHE n -1 354 GLU n -1 355 SER n -1 356 LYS n -1 357 ARG n -1 358 THR n -1 359 MET n -1 360 LEU n -1 361 ALA n -1 362 ALA n -1 363 GLY n -1 364 TRP n -1 365 SER n -1 366 MET n -1 367 GLN n -1 368 ARG n -1 369 MET n -1 370 HIS n -1 371 HIS n -1 372 GLY n -1 373 GLU n -1 374 GLN n -1 375 ALA n -1 376 HIS n -1 377 TRP n -1 378 MET n -1 379 LEU n -1 380 VAL n -1 381 THR n -1 382 LEU n -1 383 ALA n -1 384 SER n -1 385 MET n -1 386 LEU n -1 387 GLY n -1 388 GLN n -1 389 ILE n -1 390 GLY n -1 391 LEU n -1 392 PRO n -1 393 GLY n -1 394 GLY n -1 395 GLY n -1 396 PHE n -1 397 GLY n -1 398 LEU n -1 399 SER n -1 400 TYR n -1 401 HIS n -1 402 TYR n -1 403 SER n -1 404 GLY n -1 405 GLY n -1 406 GLY n -1 407 THR n -1 408 PRO n -1 409 SER n -1 410 THR n -1 411 SER n -1 412 GLY n -1 413 PRO n -1 414 ALA n -1 415 LEU n -1 416 ALA n -1 417 GLY n -1 418 ILE n -1 419 THR n -1 420 ASP n -1 421 GLY n -1 422 GLY n -1 423 ALA n -1 424 ALA n -1 425 THR n -1 426 LYS n -1 427 GLY n -1 428 PRO n -1 429 GLU n -1 430 TRP n -1 431 LEU n -1 432 ALA n -1 433 ALA n -1 434 SER n -1 435 GLY n -1 436 ALA n -1 437 SER n -1 438 VAL n -1 439 ILE n -1 440 PRO n -1 441 VAL n -1 442 ALA n -1 443 ARG n -1 444 VAL n -1 445 VAL n -1 446 ASP n -1 447 MET n -1 448 LEU n -1 449 GLU n -1 450 ASN n -1 451 PRO n -1 452 GLY n -1 453 ALA n -1 454 GLU n -1 455 PHE n -1 456 ASP n -1 457 PHE n -1 458 ASN n -1 459 GLY n -1 460 THR n -1 461 ARG n -1 462 SER n -1 463 LYS n -1 464 PHE n -1 465 PRO n -1 466 ASP n -1 467 VAL n -1 468 LYS n -1 469 MET n -1 470 ALA n -1 471 TYR n -1 472 TRP n -1 473 VAL n -1 474 GLY n -1 475 GLY n -1 476 ASN n -1 477 PRO n -1 478 PHE n -1 479 VAL n -1 480 HIS n -1 481 HIS n -1 482 GLN n -1 483 ASP n -1 484 ARG n -1 485 ASN n -1 486 ARG n -1 487 MET n -1 488 VAL n -1 489 LYS n -1 490 ALA n -1 491 TRP n -1 492 GLU n -1 493 LYS n -1 494 LEU n -1 495 GLU n -1 496 THR n -1 497 PHE n -1 498 VAL n -1 499 VAL n -1 500 HIS n -1 501 ASP n -1 502 PHE n -1 503 GLN n -1 504 TRP n -1 505 THR n -1 506 PRO n -1 507 THR n -1 508 ALA n -1 509 ARG n -1 510 HIS n -1 511 ALA n -1 512 ASP n -1 513 ILE n -1 514 VAL n -1 515 LEU n -1 516 PRO n -1 517 ALA n -1 518 THR n -1 519 THR n -1 520 SER n -1 521 TYR n -1 522 GLU n -1 523 ARG n -1 524 ASN n -1 525 ASP n -1 526 ILE n -1 527 GLU n -1 528 THR n -1 529 ILE n -1 530 GLY n -1 531 ASP n -1 532 TYR n -1 533 SER n -1 534 ASN n -1 535 THR n -1 536 GLY n -1 537 ILE n -1 538 LEU n -1 539 ALA n -1 540 MET n -1 541 LYS n -1 542 LYS n -1 543 ILE n -1 544 VAL n -1 545 GLU n -1 546 PRO n -1 547 LEU n -1 548 TYR n -1 549 GLU n -1 550 ALA n -1 551 ARG n -1 552 SER n -1 553 ASP n -1 554 TYR n -1 555 ASP n -1 556 ILE n -1 557 PHE n -1 558 ALA n -1 559 ALA n -1 560 VAL n -1 561 ALA n -1 562 GLU n -1 563 ARG n -1 564 LEU n -1 565 GLY n -1 566 LYS n -1 567 GLY n -1 568 ALA n -1 569 GLU n -1 570 PHE n -1 571 THR n -1 572 GLU n -1 573 GLY n -1 574 LYS n -1 575 ASP n -1 576 GLU n -1 577 MET n -1 578 GLY n -1 579 TRP n -1 580 ILE n -1 581 LYS n -1 582 SER n -1 583 PHE n -1 584 TYR n -1 585 ASP n -1 586 ASP n -1 587 ALA n -1 588 ALA n -1 589 LYS n -1 590 GLN n -1 591 GLY n -1 592 LYS n -1 593 ALA n -1 594 ALA n -1 595 GLY n -1 596 VAL n -1 597 GLN n -1 598 MET n -1 599 PRO n -1 600 ALA n -1 601 PHE n -1 602 ASP n -1 603 ALA n -1 604 PHE n -1 605 TRP n -1 606 ALA n -1 607 GLU n -1 608 GLY n -1 609 ILE n -1 610 VAL n -1 611 GLU n -1 612 PHE n -1 613 PRO n -1 614 VAL n -1 615 THR n -1 616 ASP n -1 617 GLY n -1 618 ALA n -1 619 ASP n -1 620 PHE n -1 621 VAL n -1 622 ARG n -1 623 TYR n -1 624 ALA n -1 625 SER n -1 626 PHE n -1 627 ARG n -1 628 GLU n -1 629 ASP n -1 630 PRO n -1 631 LEU n -1 632 LEU n -1 633 ASN n -1 634 PRO n -1 635 LEU n -1 636 GLY n -1 637 THR n -1 638 PRO n -1 639 THR n -1 640 GLY n -1 641 LEU n -1 642 ILE n -1 643 GLU n -1 644 ILE n -1 645 TYR n -1 646 SER n -1 647 LYS n -1 648 ASN n -1 649 ILE n -1 650 GLU n -1 651 LYS n -1 652 MET n -1 653 GLY n -1 654 TYR n -1 655 ASP n -1 656 ASP n -1 657 CYS n -1 658 PRO n -1 659 ALA n -1 660 HIS n -1 661 PRO n -1 662 THR n -1 663 TRP n -1 664 MET n -1 665 GLU n -1 666 PRO n -1 667 LEU n -1 668 GLU n -1 669 ARG n -1 670 LEU n -1 671 ASP n -1 672 GLY n -1 673 PRO n -1 674 GLY n -1 675 ALA n -1 676 LYS n -1 677 TYR n -1 678 PRO n -1 679 LEU n -1 680 HIS n -1 681 ILE n -1 682 ALA n -1 683 ALA n -1 684 SER n -1 685 HIS n -1 686 PRO n -1 687 PHE n -1 688 ASN n -1 689 ARG n -1 690 LEU n -1 691 HIS n -1 692 SER n -1 693 GLN n -1 694 LEU n -1 695 ASN n -1 696 GLY n -1 697 THR n -1 698 VAL n -1 699 LEU n -1 700 ARG n -1 701 GLU n -1 702 GLY n -1 703 TYR n -1 704 ALA n -1 705 VAL n -1 706 GLN n -1 707 GLY n -1 708 HIS n -1 709 GLU n -1 710 PRO n -1 711 CYS n -1 712 LEU n -1 713 MET n -1 714 HIS n -1 715 PRO n -1 716 ASP n -1 717 ASP n -1 718 ALA n -1 719 ALA n -1 720 ALA n -1 721 ARG n -1 722 GLY n -1 723 ILE n -1 724 ALA n -1 725 ASP n -1 726 GLY n -1 727 ASP n -1 728 VAL n -1 729 VAL n -1 730 ARG n -1 731 VAL n -1 732 HIS n -1 733 ASN n -1 734 ASP n -1 735 ARG n -1 736 GLY n -1 737 GLN n -1 738 ILE n -1 739 LEU n -1 740 THR n -1 741 GLY n -1 742 VAL n -1 743 LYS n -1 744 VAL n -1 745 THR n -1 746 ASP n -1 747 ALA n -1 748 VAL n -1 749 MET n -1 750 LYS n -1 751 GLY n -1 752 VAL n -1 753 ILE n -1 754 GLN n -1 755 ILE n -1 756 TYR n -1 757 GLU n -1 758 GLY n -1 759 GLY n -1 760 TRP n -1 761 TYR n -1 762 ASP n -1 763 PRO n -1 764 SER n -1 765 ASP n -1 766 VAL n -1 767 THR n -1 768 GLU n -1 769 PRO n -1 770 GLY n -1 771 THR n -1 772 LEU n -1 773 ASP n -1 774 LYS n -1 775 TYR n -1 776 GLY n -1 777 ASP n -1 778 VAL n -1 779 ASN n -1 780 VAL n -1 781 LEU n -1 782 SER n -1 783 ALA n -1 784 ASP n -1 785 ILE n -1 786 GLY n -1 787 THR n -1 788 SER n -1 789 LYS n -1 790 LEU n -1 791 ALA n -1 792 GLN n -1 793 GLY n -1 794 ASN n -1 795 CYS n -1 796 GLY n -1 797 GLN n -1 798 THR n -1 799 VAL n -1 800 LEU n -1 801 ALA n -1 802 GLU n -1 803 VAL n -1 804 GLU n -1 805 LYS n -1 806 TYR n -1 807 THR n -1 808 GLY n -1 809 PRO n -1 810 ALA n -1 811 VAL n -1 812 THR n -1 813 LEU n -1 814 THR n -1 815 GLY n -1 816 PHE n -1 817 VAL n -1 818 ALA n -1 819 PRO n -1 820 LYS n -1 821 ALA n -1 822 ALA n -1 823 GLU n -# -_entity_src_nat.entity_id 1 -_entity_src_nat.pdbx_src_id 1 -_entity_src_nat.pdbx_alt_source_flag sample -_entity_src_nat.pdbx_beg_seq_num ? -_entity_src_nat.pdbx_end_seq_num ? -_entity_src_nat.common_name ? -_entity_src_nat.pdbx_organism_scientific 'Rhodobacter capsulatus' -_entity_src_nat.pdbx_ncbi_taxonomy_id 1061 -_entity_src_nat.genus Rhodobacter -_entity_src_nat.species ? -_entity_src_nat.strain H123 -_entity_src_nat.tissue ? -_entity_src_nat.tissue_fraction ? -_entity_src_nat.pdbx_secretion ? -_entity_src_nat.pdbx_fragment ? -_entity_src_nat.pdbx_variant ? -_entity_src_nat.pdbx_cell_line ? -_entity_src_nat.pdbx_atcc ? -_entity_src_nat.pdbx_cellular_location PERIPLASM -_entity_src_nat.pdbx_organ ? -_entity_src_nat.pdbx_organelle ? -_entity_src_nat.pdbx_cell ? -_entity_src_nat.pdbx_plasmid_name ? -_entity_src_nat.pdbx_plasmid_details ? -_entity_src_nat.details ? -# -_struct_ref.id 1 -_struct_ref.db_name UNP -_struct_ref.db_code DMSA_RHOCA -_struct_ref.entity_id 1 -_struct_ref.pdbx_db_accession Q52675 -_struct_ref.pdbx_align_begin 1 -_struct_ref.pdbx_seq_one_letter_code -;MTKFSGNELRAELYRRAFLSYSVAPGALGMFGRSLLAKGARAEALANGTVMSGSHWGVFTATVENGRATAFTPWEKDPHP -TPMLEGVLDSIYSPTRIKYPMVRREFLEKGVNADRSTRGNGDFVRVSWDQALDLVAAEVKRVEETYGPQGVFGGSYGWKS -PGRLHNCTTLLRRMLTLAGGYVNGAGDYSTGAAQVIMPHVVGTLEVYEQQTAWPVLAENTEVMVFWAADPIKTSQIGWVI -PEHGAYPGLEALKAKGTKVIVIDPVRTKTVEFFGADHVTPKPQTDVAIMLGMAHTLVAEDLYDKDFIANYTSGFDKFLPY -LMGETDSTPKTAEWASDISGVPAETIKELARLFISKRTMLAAGWSMQRMHHGEQAHWMLVTLASMLGQIGLPGGGFGLSY -HYSGGGTPSTSGPALSGITDGGAATKGPEWLAASGASVIPVARVVDMLENPGAEFDFNGTRSKFPDVKMAYWVGGNPFVH -HQDRNRMVKAWEKLETFIVHDFQWTPTARHADIVLPATTSYERNDIETIGDYSNTGILAMKKIVEPLYEARSDYDIFAAV -AERLGKGKEFTEGKDEMGWIKSFYDDAAKQGKAGGVEMPAFDAFWAEGIVEFPVTDGADFVRYASFREDPLLNPLGTPTG -LIEIYSKNIEKMGYDDCPAHPTWMEPLERLDGPGAKYPLHIAASHPFNRLHSQLNGTVLREGYAVQGHEPCLMHPDDAAA -RGIADGDVVRVHNDRGQILTGVKVTDAVMKGVIQIYEGGWYDPSDVTEPGTLDKYGDVNVLSADIGTSKLAQGNCGQTVL -AEVEKYTGPAVTLTGFVAPKAAE -; -_struct_ref.pdbx_db_isoform ? -# -_struct_ref_seq.align_id 1 -_struct_ref_seq.ref_id 1 -_struct_ref_seq.pdbx_PDB_id_code 1DMR -_struct_ref_seq.pdbx_strand_id A -_struct_ref_seq.seq_align_beg 1 -_struct_ref_seq.pdbx_seq_align_beg_ins_code ? -_struct_ref_seq.seq_align_end 823 -_struct_ref_seq.pdbx_seq_align_end_ins_code ? -_struct_ref_seq.pdbx_db_accession Q52675 -_struct_ref_seq.db_align_beg 1 -_struct_ref_seq.pdbx_db_align_beg_ins_code ? -_struct_ref_seq.db_align_end 823 -_struct_ref_seq.pdbx_db_align_end_ins_code ? -_struct_ref_seq.pdbx_auth_seq_align_beg -41 -_struct_ref_seq.pdbx_auth_seq_align_end 781 -# -loop_ -_struct_ref_seq_dif.align_id -_struct_ref_seq_dif.pdbx_pdb_id_code -_struct_ref_seq_dif.mon_id -_struct_ref_seq_dif.pdbx_pdb_strand_id -_struct_ref_seq_dif.seq_num -_struct_ref_seq_dif.pdbx_pdb_ins_code -_struct_ref_seq_dif.pdbx_seq_db_name -_struct_ref_seq_dif.pdbx_seq_db_accession_code -_struct_ref_seq_dif.db_mon_id -_struct_ref_seq_dif.pdbx_seq_db_seq_num -_struct_ref_seq_dif.details -_struct_ref_seq_dif.pdbx_auth_seq_num -_struct_ref_seq_dif.pdbx_ordinal -1 1DMR SER A 81 ? UNP Q52675 THR 81 conflict 39 1 -1 1DMR ALA A 85 ? UNP Q52675 GLU 85 conflict 43 2 -1 1DMR GLU A 149 ? UNP Q52675 GLN 149 conflict 107 3 -1 1DMR GLU A 276 ? UNP Q52675 ASP 276 conflict 234 4 -1 1DMR ILE A 278 ? UNP Q52675 VAL 278 conflict 236 5 -1 1DMR ASP A 322 ? UNP Q52675 MET 322 conflict 280 6 -1 1DMR GLU A 336 ? UNP Q52675 SER 336 conflict 294 7 -1 1DMR GLY A 337 ? UNP Q52675 ASP 337 conflict 295 8 -1 1DMR GLU A 354 ? UNP Q52675 ILE 354 conflict 312 9 -1 1DMR ALA A 416 ? UNP Q52675 SER 416 conflict 374 10 -1 1DMR VAL A 498 ? UNP Q52675 ILE 498 conflict 456 11 -1 1DMR ALA A 568 ? UNP Q52675 LYS 568 conflict 526 12 -1 1DMR ALA A 594 ? UNP Q52675 GLY 594 conflict 552 13 -1 1DMR GLN A 597 ? UNP Q52675 GLU 597 conflict 555 14 -# -loop_ -_chem_comp.id -_chem_comp.type -_chem_comp.mon_nstd_flag -_chem_comp.name -_chem_comp.pdbx_synonyms -_chem_comp.formula -_chem_comp.formula_weight -6MO non-polymer . 'MOLYBDENUM(VI) ION' ? 'Mo 6' 95.940 -ALA 'L-peptide linking' y ALANINE ? 'C3 H7 N O2' 89.093 -ARG 'L-peptide linking' y ARGININE ? 'C6 H15 N4 O2 1' 175.209 -ASN 'L-peptide linking' y ASPARAGINE ? 'C4 H8 N2 O3' 132.118 -ASP 'L-peptide linking' y 'ASPARTIC ACID' ? 'C4 H7 N O4' 133.103 -CYS 'L-peptide linking' y CYSTEINE ? 'C3 H7 N O2 S' 121.158 -GLN 'L-peptide linking' y GLUTAMINE ? 'C5 H10 N2 O3' 146.144 -GLU 'L-peptide linking' y 'GLUTAMIC ACID' ? 'C5 H9 N O4' 147.129 -GLY 'peptide linking' y GLYCINE ? 'C2 H5 N O2' 75.067 -HIS 'L-peptide linking' y HISTIDINE ? 'C6 H10 N3 O2 1' 156.162 -HOH non-polymer . WATER ? 'H2 O' 18.015 -ILE 'L-peptide linking' y ISOLEUCINE ? 'C6 H13 N O2' 131.173 -LEU 'L-peptide linking' y LEUCINE ? 'C6 H13 N O2' 131.173 -LYS 'L-peptide linking' y LYSINE ? 'C6 H15 N2 O2 1' 147.195 -MET 'L-peptide linking' y METHIONINE ? 'C5 H11 N O2 S' 149.211 -O non-polymer . 'OXYGEN ATOM' ? O 15.999 -PGD non-polymer . -'2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE' ? -'C20 H24 N10 O13 P2 S2' 738.541 -PHE 'L-peptide linking' y PHENYLALANINE ? 'C9 H11 N O2' 165.189 -PRO 'L-peptide linking' y PROLINE ? 'C5 H9 N O2' 115.130 -SER 'L-peptide linking' y SERINE ? 'C3 H7 N O3' 105.093 -THR 'L-peptide linking' y THREONINE ? 'C4 H9 N O3' 119.119 -TRP 'L-peptide linking' y TRYPTOPHAN ? 'C11 H12 N2 O2' 204.225 -TYR 'L-peptide linking' y TYROSINE ? 'C9 H11 N O3' 181.189 -VAL 'L-peptide linking' y VALINE ? 'C5 H11 N O2' 117.146 -# -_exptl.entry_id 1DMR -_exptl.method 'X-RAY DIFFRACTION' -_exptl.crystals_number 1 -# -_exptl_crystal.id 1 -_exptl_crystal.density_meas ? -_exptl_crystal.density_Matthews 2.10 -_exptl_crystal.density_percent_sol 34.4 -_exptl_crystal.description 'MODEL WAS FITTED TO THE PARTIAL MODEL FROM ISOMORPHOUS REPLACEMENT' -# -_exptl_crystal_grow.crystal_id 1 -_exptl_crystal_grow.method ? -_exptl_crystal_grow.temp ? -_exptl_crystal_grow.temp_details ? -_exptl_crystal_grow.pH 5.5 -_exptl_crystal_grow.pdbx_pH_range 4.8-5.2 -_exptl_crystal_grow.pdbx_details '0.1M CITRATE BUFFER, PH 4.8 - 5.2 20 - 23% PEG 4000 20% ETHANOL, pH 5.5' -# -_diffrn.id 1 -_diffrn.ambient_temp 277 -_diffrn.ambient_temp_details ? -_diffrn.crystal_id 1 -# -_diffrn_detector.diffrn_id 1 -_diffrn_detector.detector 'IMAGE PLATE' -_diffrn_detector.type MARRESEARCH -_diffrn_detector.pdbx_collection_date 1996-05-17 -_diffrn_detector.details MIRRORS -# -_diffrn_radiation.diffrn_id 1 -_diffrn_radiation.wavelength_id 1 -_diffrn_radiation.pdbx_monochromatic_or_laue_m_l M -_diffrn_radiation.monochromator 'SI(111)' -_diffrn_radiation.pdbx_diffrn_protocol ? -_diffrn_radiation.pdbx_scattering_type x-ray -# -_diffrn_radiation_wavelength.id 1 -_diffrn_radiation_wavelength.wavelength 0.92 -_diffrn_radiation_wavelength.wt 1.0 -# -_diffrn_source.diffrn_id 1 -_diffrn_source.source SYNCHROTRON -_diffrn_source.type 'SRS BEAMLINE PX9.5' -_diffrn_source.pdbx_synchrotron_site SRS -_diffrn_source.pdbx_synchrotron_beamline PX9.5 -_diffrn_source.pdbx_wavelength 0.92 -_diffrn_source.pdbx_wavelength_list ? -# -_reflns.entry_id 1DMR -_reflns.observed_criterion_sigma_I 0. -_reflns.observed_criterion_sigma_F ? -_reflns.d_resolution_low 16.51 -_reflns.d_resolution_high 1.82 -_reflns.number_obs 66800 -_reflns.number_all ? -_reflns.percent_possible_obs 97.4 -_reflns.pdbx_Rmerge_I_obs 0.0780000 -_reflns.pdbx_Rsym_value ? -_reflns.pdbx_netI_over_sigmaI 7.4 -_reflns.B_iso_Wilson_estimate ? -_reflns.pdbx_redundancy 3.8 -_reflns.pdbx_diffrn_id 1 -_reflns.pdbx_ordinal 1 -# -_reflns_shell.d_res_high 1.82 -_reflns_shell.d_res_low 1.94 -_reflns_shell.percent_possible_all 91. -_reflns_shell.Rmerge_I_obs 0.2690000 -_reflns_shell.pdbx_Rsym_value ? -_reflns_shell.meanI_over_sigI_obs 2.8 -_reflns_shell.pdbx_redundancy 3.7 -_reflns_shell.pdbx_diffrn_id ? -_reflns_shell.pdbx_ordinal 1 -# -_refine.entry_id 1DMR -_refine.ls_number_reflns_obs 68911 -_refine.ls_number_reflns_all ? -_refine.pdbx_ls_sigma_I ? -_refine.pdbx_ls_sigma_F 0. -_refine.pdbx_data_cutoff_high_absF ? -_refine.pdbx_data_cutoff_low_absF ? -_refine.pdbx_data_cutoff_high_rms_absF ? -_refine.ls_d_res_low 20. -_refine.ls_d_res_high 1.82 -_refine.ls_percent_reflns_obs 97.4 -_refine.ls_R_factor_obs ? -_refine.ls_R_factor_all ? -_refine.ls_R_factor_R_work 0.147 -_refine.ls_R_factor_R_free 0.18367 -_refine.ls_R_factor_R_free_error ? -_refine.ls_R_factor_R_free_error_details ? -_refine.ls_percent_reflns_R_free 5. -_refine.ls_number_reflns_R_free 3441 -_refine.ls_number_parameters ? -_refine.ls_number_restraints ? -_refine.occupancy_min ? -_refine.occupancy_max ? -_refine.correlation_coeff_Fo_to_Fc ? -_refine.correlation_coeff_Fo_to_Fc_free ? -_refine.B_iso_mean ? -_refine.aniso_B[1][1] ? -_refine.aniso_B[2][2] ? -_refine.aniso_B[3][3] ? -_refine.aniso_B[1][2] ? -_refine.aniso_B[1][3] ? -_refine.aniso_B[2][3] ? -_refine.solvent_model_details ? -_refine.solvent_model_param_ksol ? -_refine.solvent_model_param_bsol ? -_refine.pdbx_solvent_vdw_probe_radii ? -_refine.pdbx_solvent_ion_probe_radii ? -_refine.pdbx_solvent_shrinkage_radii ? -_refine.pdbx_ls_cross_valid_method ? -_refine.details ? -_refine.pdbx_starting_model 'DMSO REDUCTASE FROM RHODOBACTER SPHAEROIDES' -_refine.pdbx_method_to_determine_struct 'ISOMORPHOUS REPLACEMENT AND MOLECULAR REPLACEMENT' -_refine.pdbx_isotropic_thermal_model ? -_refine.pdbx_stereochemistry_target_values ? -_refine.pdbx_stereochem_target_val_spec_case ? -_refine.pdbx_R_Free_selection_details 'EVERY 20TH' -_refine.pdbx_overall_ESU_R ? -_refine.pdbx_overall_ESU_R_Free ? -_refine.overall_SU_ML ? -_refine.overall_SU_B ? -_refine.pdbx_refine_id 'X-RAY DIFFRACTION' -_refine.pdbx_diffrn_id 1 -_refine.pdbx_TLS_residual_ADP_flag ? -_refine.pdbx_overall_phase_error ? -_refine.overall_SU_R_Cruickshank_DPI ? -_refine.pdbx_overall_SU_R_free_Cruickshank_DPI ? -_refine.pdbx_overall_SU_R_Blow_DPI ? -_refine.pdbx_overall_SU_R_free_Blow_DPI ? -# -_refine_hist.pdbx_refine_id 'X-RAY DIFFRACTION' -_refine_hist.cycle_id LAST -_refine_hist.pdbx_number_atoms_protein 6422 -_refine_hist.pdbx_number_atoms_nucleic_acid 0 -_refine_hist.pdbx_number_atoms_ligand 95 -_refine_hist.number_atoms_solvent 536 -_refine_hist.number_atoms_total 7053 -_refine_hist.d_res_high 1.82 -_refine_hist.d_res_low 20. -# -_struct.entry_id 1DMR -_struct.title 'OXIDIZED DMSO REDUCTASE FROM RHODOBACTER CAPSULATUS' -_struct.pdbx_model_details ? -_struct.pdbx_CASP_flag ? -_struct.pdbx_model_type_details ? -# -_struct_keywords.entry_id 1DMR -_struct_keywords.pdbx_keywords OXIDOREDUCTASE -_struct_keywords.text 'OXIDOREDUCTASE, REDUCTASE, DMSO, MOLYBDOPTERIN' -# -loop_ -_struct_asym.id -_struct_asym.pdbx_blank_PDB_chainid_flag -_struct_asym.pdbx_modified -_struct_asym.entity_id -_struct_asym.details -A N N 1 ? -B N N 2 ? -C N N 2 ? -D N N 3 ? -E N N 4 ? -F N N 4 ? -G N N 5 ? -# -_struct_biol.id 1 -# -loop_ -_struct_conf.conf_type_id -_struct_conf.id -_struct_conf.pdbx_PDB_helix_id -_struct_conf.beg_label_comp_id -_struct_conf.beg_label_asym_id -_struct_conf.beg_label_seq_id -_struct_conf.pdbx_beg_PDB_ins_code -_struct_conf.end_label_comp_id -_struct_conf.end_label_asym_id -_struct_conf.end_label_seq_id -_struct_conf.pdbx_end_PDB_ins_code -_struct_conf.beg_auth_comp_id -_struct_conf.beg_auth_asym_id -_struct_conf.beg_auth_seq_id -_struct_conf.end_auth_comp_id -_struct_conf.end_auth_asym_id -_struct_conf.end_auth_seq_id -_struct_conf.pdbx_PDB_helix_class -_struct_conf.details -_struct_conf.pdbx_PDB_helix_length -HELX_P HELX_P1 1 PRO A 82 ? TYR A 92 ? PRO A 40 TYR A 50 5 ? 11 -HELX_P HELX_P2 2 ARG A 104 ? ASN A 112 ? ARG A 62 ASN A 70 1 ? 9 -HELX_P HELX_P3 3 ARG A 115 ? THR A 117 ? ARG A 73 THR A 75 5 ? 3 -HELX_P HELX_P4 4 TRP A 128 ? TYR A 146 ? TRP A 86 TYR A 104 1 ? 19 -HELX_P HELX_P5 5 PRO A 148 ? GLY A 150 ? PRO A 106 GLY A 108 5 ? 3 -HELX_P HELX_P6 6 CYS A 167 ? ALA A 178 ? CYS A 125 ALA A 136 1 ? 12 -HELX_P HELX_P7 7 ALA A 193 ? VAL A 200 ? ALA A 151 VAL A 158 1 ? 8 -HELX_P HELX_P8 8 TRP A 213 ? ASN A 219 ? TRP A 171 ASN A 177 1 ? 7 -HELX_P HELX_P9 9 PRO A 230 ? GLN A 235 ? PRO A 188 GLN A 193 1 ? 6 -HELX_P HELX_P10 10 GLY A 244 ? LYS A 255 ? GLY A 202 LYS A 213 1 ? 12 -HELX_P HELX_P11 11 LYS A 268 ? PHE A 273 ? LYS A 226 PHE A 231 1 ? 6 -HELX_P HELX_P12 12 ASP A 285 ? ALA A 298 ? ASP A 243 ALA A 256 1 ? 14 -HELX_P HELX_P13 13 LYS A 304 ? TYR A 310 ? LYS A 262 TYR A 268 1 ? 7 -HELX_P HELX_P14 14 PHE A 314 ? LEU A 321 ? PHE A 272 LEU A 279 1 ? 8 -HELX_P HELX_P15 15 ALA A 332 ? SER A 339 ? ALA A 290 SER A 297 1 ? 8 -HELX_P HELX_P16 16 ALA A 343 ? SER A 355 ? ALA A 301 SER A 313 1 ? 13 -HELX_P HELX_P17 17 SER A 365 ? GLN A 367 ? SER A 323 GLN A 325 5 ? 3 -HELX_P HELX_P18 18 GLY A 372 ? LEU A 386 ? GLY A 330 LEU A 344 5 ? 15 -HELX_P HELX_P19 19 GLY A 422 ? ALA A 424 ? GLY A 380 ALA A 382 5 ? 3 -HELX_P HELX_P20 20 VAL A 441 ? GLU A 449 ? VAL A 399 GLU A 407 5 ? 9 -HELX_P HELX_P21 21 PRO A 477 ? HIS A 480 ? PRO A 435 HIS A 438 1 ? 4 -HELX_P HELX_P22 22 ARG A 484 ? LYS A 493 ? ARG A 442 LYS A 451 1 ? 10 -HELX_P HELX_P23 23 PRO A 506 ? HIS A 510 ? PRO A 464 HIS A 468 1 ? 5 -HELX_P HELX_P24 24 SER A 520 ? GLU A 522 ? SER A 478 GLU A 480 5 ? 3 -HELX_P HELX_P25 25 ASP A 553 ? ARG A 563 ? ASP A 511 ARG A 521 1 ? 11 -HELX_P HELX_P26 26 GLY A 567 ? THR A 571 ? GLY A 525 THR A 529 1 ? 5 -HELX_P HELX_P27 27 GLU A 576 ? ALA A 594 ? GLU A 534 ALA A 552 1 ? 19 -HELX_P HELX_P28 28 PHE A 601 ? GLU A 607 ? PHE A 559 GLU A 565 1 ? 7 -HELX_P HELX_P29 29 GLY A 617 ? ASP A 619 ? GLY A 575 ASP A 577 5 ? 3 -HELX_P HELX_P30 30 ALA A 624 ? GLU A 628 ? ALA A 582 GLU A 586 1 ? 5 -HELX_P HELX_P31 31 LYS A 647 ? MET A 652 ? LYS A 605 MET A 610 1 ? 6 -HELX_P HELX_P32 32 VAL A 698 ? GLY A 702 ? VAL A 656 GLY A 660 5 ? 5 -HELX_P HELX_P33 33 PRO A 715 ? ARG A 721 ? PRO A 673 ARG A 679 1 ? 7 -HELX_P HELX_P34 34 VAL A 778 ? VAL A 780 ? VAL A 736 VAL A 738 5 ? 3 -# -_struct_conf_type.id HELX_P -_struct_conf_type.criteria ? -_struct_conf_type.reference ? -# -loop_ -_struct_conn.id -_struct_conn.conn_type_id -_struct_conn.pdbx_leaving_atom_flag -_struct_conn.pdbx_PDB_id -_struct_conn.ptnr1_label_asym_id -_struct_conn.ptnr1_label_comp_id -_struct_conn.ptnr1_label_seq_id -_struct_conn.ptnr1_label_atom_id -_struct_conn.pdbx_ptnr1_label_alt_id -_struct_conn.pdbx_ptnr1_PDB_ins_code -_struct_conn.pdbx_ptnr1_standard_comp_id -_struct_conn.ptnr1_symmetry -_struct_conn.ptnr2_label_asym_id -_struct_conn.ptnr2_label_comp_id -_struct_conn.ptnr2_label_seq_id -_struct_conn.ptnr2_label_atom_id -_struct_conn.pdbx_ptnr2_label_alt_id -_struct_conn.pdbx_ptnr2_PDB_ins_code -_struct_conn.ptnr1_auth_asym_id -_struct_conn.ptnr1_auth_comp_id -_struct_conn.ptnr1_auth_seq_id -_struct_conn.ptnr2_auth_asym_id -_struct_conn.ptnr2_auth_comp_id -_struct_conn.ptnr2_auth_seq_id -_struct_conn.ptnr2_symmetry -_struct_conn.pdbx_ptnr3_label_atom_id -_struct_conn.pdbx_ptnr3_label_seq_id -_struct_conn.pdbx_ptnr3_label_comp_id -_struct_conn.pdbx_ptnr3_label_asym_id -_struct_conn.pdbx_ptnr3_label_alt_id -_struct_conn.pdbx_ptnr3_PDB_ins_code -_struct_conn.details -_struct_conn.pdbx_dist_value -_struct_conn.pdbx_value_order -_struct_conn.pdbx_role -covale1 covale one ? B PGD . S12 ? ? ? 1_555 E O . O ? ? A PGD 782 A O 785 1_555 ? ? ? ? ? ? ? 1.896 ? ? -metalc1 metalc ? ? A SER 189 OG ? ? ? 1_555 D 6MO . MO ? ? A SER 147 A 6MO 784 1_555 ? ? ? ? ? ? ? 1.900 ? ? -metalc2 metalc ? ? B PGD . S12 ? ? ? 1_555 D 6MO . MO ? ? A PGD 782 A 6MO 784 1_555 ? ? ? ? ? ? ? 2.506 ? ? -metalc3 metalc ? ? B PGD . S13 ? ? ? 1_555 D 6MO . MO ? ? A PGD 782 A 6MO 784 1_555 ? ? ? ? ? ? ? 2.479 ? ? -metalc4 metalc ? ? C PGD . S12 ? ? ? 1_555 D 6MO . MO ? ? A PGD 783 A 6MO 784 1_555 ? ? ? ? ? ? ? 2.546 ? ? -metalc5 metalc ? ? C PGD . S13 ? ? ? 1_555 D 6MO . MO ? ? A PGD 783 A 6MO 784 1_555 ? ? ? ? ? ? ? 2.417 ? ? -metalc6 metalc ? ? D 6MO . MO ? ? ? 1_555 E O . O ? ? A 6MO 784 A O 785 1_555 ? ? ? ? ? ? ? 1.554 ? ? -metalc7 metalc ? ? D 6MO . MO ? ? ? 1_555 F O . O ? ? A 6MO 784 A O 786 1_555 ? ? ? ? ? ? ? 1.811 ? ? -hydrog1 hydrog ? ? A TYR 156 OH ? ? ? 1_555 F O . O ? ? A TYR 114 A O 786 1_555 ? ? ? ? ? ? ? ? ? ? -hydrog2 hydrog ? ? A TRP 158 NE1 ? ? ? 1_555 E O . O ? ? A TRP 116 A O 785 1_555 ? ? ? ? ? ? ? ? ? ? -# -loop_ -_struct_conn_type.id -_struct_conn_type.criteria -_struct_conn_type.reference -covale ? ? -metalc ? ? -hydrog ? ? -# -loop_ -_struct_sheet.id -_struct_sheet.type -_struct_sheet.number_strands -_struct_sheet.details -A ? 3 ? -B ? 2 ? -C ? 2 ? -D ? 5 ? -E ? 2 ? -F ? 3 ? -G ? 3 ? -H ? 2 ? -I ? 4 ? -# -loop_ -_struct_sheet_order.sheet_id -_struct_sheet_order.range_id_1 -_struct_sheet_order.range_id_2 -_struct_sheet_order.offset -_struct_sheet_order.sense -A 1 2 ? anti-parallel -A 2 3 ? anti-parallel -B 1 2 ? anti-parallel -C 1 2 ? parallel -D 1 2 ? parallel -D 2 3 ? parallel -D 3 4 ? parallel -D 4 5 ? parallel -E 1 2 ? anti-parallel -F 1 2 ? parallel -F 2 3 ? parallel -G 1 2 ? anti-parallel -G 2 3 ? anti-parallel -H 1 2 ? parallel -I 1 2 ? parallel -I 2 3 ? anti-parallel -I 3 4 ? anti-parallel -# -loop_ -_struct_sheet_range.sheet_id -_struct_sheet_range.id -_struct_sheet_range.beg_label_comp_id -_struct_sheet_range.beg_label_asym_id -_struct_sheet_range.beg_label_seq_id -_struct_sheet_range.pdbx_beg_PDB_ins_code -_struct_sheet_range.end_label_comp_id -_struct_sheet_range.end_label_asym_id -_struct_sheet_range.end_label_seq_id -_struct_sheet_range.pdbx_end_PDB_ins_code -_struct_sheet_range.beg_auth_comp_id -_struct_sheet_range.beg_auth_asym_id -_struct_sheet_range.beg_auth_seq_id -_struct_sheet_range.end_auth_comp_id -_struct_sheet_range.end_auth_asym_id -_struct_sheet_range.end_auth_seq_id -A 1 GLY A 48 ? SER A 54 ? GLY A 6 SER A 12 -A 2 GLY A 57 ? GLU A 64 ? GLY A 15 GLU A 22 -A 3 ARG A 67 ? PRO A 73 ? ARG A 25 PRO A 31 -B 1 MET A 101 ? ARG A 103 ? MET A 59 ARG A 61 -B 2 PHE A 123 ? ARG A 125 ? PHE A 81 ARG A 83 -C 1 ASN A 183 ? ALA A 185 ? ASN A 141 ALA A 143 -C 2 VAL A 438 ? PRO A 440 ? VAL A 396 PRO A 398 -D 1 GLY A 395 ? GLY A 397 ? GLY A 353 GLY A 355 -D 2 THR A 358 ? ALA A 362 ? THR A 316 ALA A 320 -D 3 VAL A 222 ? TRP A 226 ? VAL A 180 TRP A 184 -D 4 LYS A 258 ? ILE A 262 ? LYS A 216 ILE A 220 -D 5 GLU A 276 ? ILE A 278 ? GLU A 234 ILE A 236 -E 1 GLU A 454 ? PHE A 457 ? GLU A 412 PHE A 415 -E 2 THR A 460 ? LYS A 463 ? THR A 418 LYS A 421 -F 1 MET A 469 ? VAL A 473 ? MET A 427 VAL A 431 -F 2 THR A 496 ? ASP A 501 ? THR A 454 ASP A 459 -F 3 ILE A 513 ? PRO A 516 ? ILE A 471 PRO A 474 -G 1 ASP A 525 ? ILE A 529 ? ASP A 483 ILE A 487 -G 2 GLY A 536 ? MET A 540 ? GLY A 494 MET A 498 -G 3 ILE A 609 ? GLU A 611 ? ILE A 567 GLU A 569 -H 1 HIS A 680 ? ALA A 682 ? HIS A 638 ALA A 640 -H 2 VAL A 752 ? GLN A 754 ? VAL A 710 GLN A 712 -I 1 PRO A 710 ? MET A 713 ? PRO A 668 MET A 671 -I 2 GLN A 737 ? VAL A 744 ? GLN A 695 VAL A 702 -I 3 VAL A 728 ? HIS A 732 ? VAL A 686 HIS A 690 -I 4 GLU A 802 ? LYS A 805 ? GLU A 760 LYS A 763 -# -loop_ -_pdbx_struct_sheet_hbond.sheet_id -_pdbx_struct_sheet_hbond.range_id_1 -_pdbx_struct_sheet_hbond.range_id_2 -_pdbx_struct_sheet_hbond.range_1_label_atom_id -_pdbx_struct_sheet_hbond.range_1_label_comp_id -_pdbx_struct_sheet_hbond.range_1_label_asym_id -_pdbx_struct_sheet_hbond.range_1_label_seq_id -_pdbx_struct_sheet_hbond.range_1_PDB_ins_code -_pdbx_struct_sheet_hbond.range_1_auth_atom_id -_pdbx_struct_sheet_hbond.range_1_auth_comp_id -_pdbx_struct_sheet_hbond.range_1_auth_asym_id -_pdbx_struct_sheet_hbond.range_1_auth_seq_id -_pdbx_struct_sheet_hbond.range_2_label_atom_id -_pdbx_struct_sheet_hbond.range_2_label_comp_id -_pdbx_struct_sheet_hbond.range_2_label_asym_id -_pdbx_struct_sheet_hbond.range_2_label_seq_id -_pdbx_struct_sheet_hbond.range_2_PDB_ins_code -_pdbx_struct_sheet_hbond.range_2_auth_atom_id -_pdbx_struct_sheet_hbond.range_2_auth_comp_id -_pdbx_struct_sheet_hbond.range_2_auth_asym_id -_pdbx_struct_sheet_hbond.range_2_auth_seq_id -A 1 2 O GLY A 48 ? O GLY A 6 N VAL A 63 ? N VAL A 21 -A 2 3 O THR A 60 ? O THR A 18 N THR A 72 ? N THR A 30 -B 1 2 O VAL A 102 ? O VAL A 60 N VAL A 124 ? N VAL A 82 -C 1 2 O ASN A 183 ? O ASN A 141 N ILE A 439 ? N ILE A 397 -D 1 2 O GLY A 395 ? O GLY A 353 N LEU A 360 ? N LEU A 318 -D 2 3 O MET A 359 ? O MET A 317 N VAL A 222 ? N VAL A 180 -D 3 4 O MET A 223 ? O MET A 181 N LYS A 258 ? N LYS A 216 -D 4 5 O VAL A 261 ? O VAL A 219 N GLU A 276 ? N GLU A 234 -E 1 2 O PHE A 455 ? O PHE A 413 N SER A 462 ? N SER A 420 -F 1 2 O ALA A 470 ? O ALA A 428 N THR A 496 ? N THR A 454 -F 2 3 O VAL A 499 ? O VAL A 457 N ILE A 513 ? N ILE A 471 -G 1 2 O ASP A 525 ? O ASP A 483 N MET A 540 ? N MET A 498 -G 2 3 O ILE A 537 ? O ILE A 495 N VAL A 610 ? N VAL A 568 -H 1 2 O HIS A 680 ? O HIS A 638 N ILE A 753 ? N ILE A 711 -I 1 2 O CYS A 711 ? O CYS A 669 N GLY A 741 ? N GLY A 699 -I 2 3 O ILE A 738 ? O ILE A 696 N VAL A 731 ? N VAL A 689 -I 3 4 O ARG A 730 ? O ARG A 688 N GLU A 804 ? N GLU A 762 -# -loop_ -_struct_site.id -_struct_site.pdbx_evidence_code -_struct_site.pdbx_auth_asym_id -_struct_site.pdbx_auth_comp_id -_struct_site.pdbx_auth_seq_id -_struct_site.pdbx_auth_ins_code -_struct_site.pdbx_num_residues -_struct_site.details -MO Unknown ? ? ? ? 1 'SER SITE.' -AC1 Software A PGD 782 ? 38 'BINDING SITE FOR RESIDUE PGD A 782' -AC2 Software A PGD 783 ? 35 'BINDING SITE FOR RESIDUE PGD A 783' -AC3 Software A 6MO 784 ? 5 'BINDING SITE FOR RESIDUE 6MO A 784' -AC4 Software A O 785 ? 5 'BINDING SITE FOR RESIDUE O A 785' -AC5 Software A O 786 ? 8 'BINDING SITE FOR RESIDUE O A 786' -# -loop_ -_struct_site_gen.id -_struct_site_gen.site_id -_struct_site_gen.pdbx_num_res -_struct_site_gen.label_comp_id -_struct_site_gen.label_asym_id -_struct_site_gen.label_seq_id -_struct_site_gen.pdbx_auth_ins_code -_struct_site_gen.auth_comp_id -_struct_site_gen.auth_asym_id -_struct_site_gen.auth_seq_id -_struct_site_gen.label_atom_id -_struct_site_gen.label_alt_id -_struct_site_gen.symmetry -_struct_site_gen.details -1 MO 1 SER A 189 ? SER A 147 . ? 1_555 ? -2 AC1 38 TYR A 156 ? TYR A 114 . ? 1_555 ? -3 AC1 38 GLY A 157 ? GLY A 115 . ? 1_555 ? -4 AC1 38 TRP A 158 ? TRP A 116 . ? 1_555 ? -5 AC1 38 LYS A 159 ? LYS A 117 . ? 1_555 ? -6 AC1 38 SER A 160 ? SER A 118 . ? 1_555 ? -7 AC1 38 TYR A 188 ? TYR A 146 . ? 1_555 ? -8 AC1 38 SER A 189 ? SER A 147 . ? 1_555 ? -9 AC1 38 ARG A 368 ? ARG A 326 . ? 1_555 ? -10 AC1 38 GLY A 474 ? GLY A 432 . ? 1_555 ? -11 AC1 38 GLY A 475 ? GLY A 433 . ? 1_555 ? -12 AC1 38 ASN A 476 ? ASN A 434 . ? 1_555 ? -13 AC1 38 HIS A 480 ? HIS A 438 . ? 1_555 ? -14 AC1 38 GLN A 482 ? GLN A 440 . ? 1_555 ? -15 AC1 38 HIS A 500 ? HIS A 458 . ? 1_555 ? -16 AC1 38 ASP A 501 ? ASP A 459 . ? 1_555 ? -17 AC1 38 PHE A 502 ? PHE A 460 . ? 1_555 ? -18 AC1 38 THR A 505 ? THR A 463 . ? 1_555 ? -19 AC1 38 ALA A 517 ? ALA A 475 . ? 1_555 ? -20 AC1 38 ARG A 523 ? ARG A 481 . ? 1_555 ? -21 AC1 38 ASP A 553 ? ASP A 511 . ? 1_555 ? -22 AC1 38 ALA A 683 ? ALA A 641 . ? 1_555 ? -23 AC1 38 HIS A 685 ? HIS A 643 . ? 1_555 ? -24 AC1 38 HIS A 691 ? HIS A 649 . ? 1_555 ? -25 AC1 38 SER A 692 ? SER A 650 . ? 1_555 ? -26 AC1 38 GLN A 693 ? GLN A 651 . ? 1_555 ? -27 AC1 38 GLU A 757 ? GLU A 715 . ? 1_555 ? -28 AC1 38 ASN A 779 ? ASN A 737 . ? 1_555 ? -29 AC1 38 GLY A 796 ? GLY A 754 . ? 1_555 ? -30 AC1 38 GLN A 797 ? GLN A 755 . ? 1_555 ? -31 AC1 38 PGD C . ? PGD A 783 . ? 1_555 ? -32 AC1 38 6MO D . ? 6MO A 784 . ? 1_555 ? -33 AC1 38 O E . ? O A 785 . ? 1_555 ? -34 AC1 38 O F . ? O A 786 . ? 1_555 ? -35 AC1 38 HOH G . ? HOH A 799 . ? 1_555 ? -36 AC1 38 HOH G . ? HOH A 814 . ? 1_555 ? -37 AC1 38 HOH G . ? HOH A 832 . ? 1_555 ? -38 AC1 38 HOH G . ? HOH A 840 . ? 1_555 ? -39 AC1 38 HOH G . ? HOH A 915 . ? 1_555 ? -40 AC2 35 TRP A 158 ? TRP A 116 . ? 1_555 ? -41 AC2 35 SER A 189 ? SER A 147 . ? 1_555 ? -42 AC2 35 ALA A 227 ? ALA A 185 . ? 1_555 ? -43 AC2 35 LYS A 232 ? LYS A 190 . ? 1_555 ? -44 AC2 35 THR A 233 ? THR A 191 . ? 1_555 ? -45 AC2 35 GLN A 235 ? GLN A 193 . ? 1_555 ? -46 AC2 35 ILE A 236 ? ILE A 194 . ? 1_555 ? -47 AC2 35 ILE A 262 ? ILE A 220 . ? 1_555 ? -48 AC2 35 ASP A 263 ? ASP A 221 . ? 1_555 ? -49 AC2 35 PRO A 264 ? PRO A 222 . ? 1_555 ? -50 AC2 35 THR A 267 ? THR A 225 . ? 1_555 ? -51 AC2 35 PRO A 282 ? PRO A 240 . ? 1_555 ? -52 AC2 35 GLN A 283 ? GLN A 241 . ? 1_555 ? -53 AC2 35 ASP A 285 ? ASP A 243 . ? 1_555 ? -54 AC2 35 GLY A 363 ? GLY A 321 . ? 1_555 ? -55 AC2 35 TRP A 364 ? TRP A 322 . ? 1_555 ? -56 AC2 35 SER A 365 ? SER A 323 . ? 1_555 ? -57 AC2 35 ARG A 368 ? ARG A 326 . ? 1_555 ? -58 AC2 35 MET A 369 ? MET A 327 . ? 1_555 ? -59 AC2 35 HIS A 401 ? HIS A 359 . ? 1_555 ? -60 AC2 35 SER A 684 ? SER A 642 . ? 1_555 ? -61 AC2 35 HIS A 685 ? HIS A 643 . ? 1_555 ? -62 AC2 35 PRO A 686 ? PRO A 644 . ? 1_555 ? -63 AC2 35 PHE A 687 ? PHE A 645 . ? 1_555 ? -64 AC2 35 ARG A 689 ? ARG A 647 . ? 1_555 ? -65 AC2 35 LEU A 690 ? LEU A 648 . ? 1_555 ? -66 AC2 35 HIS A 691 ? HIS A 649 . ? 1_555 ? -67 AC2 35 GLN A 797 ? GLN A 755 . ? 1_555 ? -68 AC2 35 PGD B . ? PGD A 782 . ? 1_555 ? -69 AC2 35 6MO D . ? 6MO A 784 . ? 1_555 ? -70 AC2 35 O F . ? O A 786 . ? 1_555 ? -71 AC2 35 HOH G . ? HOH A 801 . ? 1_555 ? -72 AC2 35 HOH G . ? HOH A 813 . ? 1_555 ? -73 AC2 35 HOH G . ? HOH A 824 . ? 1_555 ? -74 AC2 35 HOH G . ? HOH A 854 . ? 1_555 ? -75 AC3 5 SER A 189 ? SER A 147 . ? 1_555 ? -76 AC3 5 PGD B . ? PGD A 782 . ? 1_555 ? -77 AC3 5 PGD C . ? PGD A 783 . ? 1_555 ? -78 AC3 5 O E . ? O A 785 . ? 1_555 ? -79 AC3 5 O F . ? O A 786 . ? 1_555 ? -80 AC4 5 TYR A 156 ? TYR A 114 . ? 1_555 ? -81 AC4 5 SER A 189 ? SER A 147 . ? 1_555 ? -82 AC4 5 PGD B . ? PGD A 782 . ? 1_555 ? -83 AC4 5 6MO D . ? 6MO A 784 . ? 1_555 ? -84 AC4 5 O F . ? O A 786 . ? 1_555 ? -85 AC5 8 TYR A 156 ? TYR A 114 . ? 1_555 ? -86 AC5 8 TRP A 158 ? TRP A 116 . ? 1_555 ? -87 AC5 8 SER A 189 ? SER A 147 . ? 1_555 ? -88 AC5 8 PGD B . ? PGD A 782 . ? 1_555 ? -89 AC5 8 PGD C . ? PGD A 783 . ? 1_555 ? -90 AC5 8 6MO D . ? 6MO A 784 . ? 1_555 ? -91 AC5 8 O E . ? O A 785 . ? 1_555 ? -92 AC5 8 HOH G . ? HOH A 974 . ? 1_555 ? -# -_database_PDB_matrix.entry_id 1DMR -_database_PDB_matrix.origx[1][1] 1.000000 -_database_PDB_matrix.origx[1][2] 0.000000 -_database_PDB_matrix.origx[1][3] 0.000000 -_database_PDB_matrix.origx[2][1] 0.000000 -_database_PDB_matrix.origx[2][2] 1.000000 -_database_PDB_matrix.origx[2][3] 0.000000 -_database_PDB_matrix.origx[3][1] 0.000000 -_database_PDB_matrix.origx[3][2] 0.000000 -_database_PDB_matrix.origx[3][3] 1.000000 -_database_PDB_matrix.origx_vector[1] 0.00000 -_database_PDB_matrix.origx_vector[2] 0.00000 -_database_PDB_matrix.origx_vector[3] 0.00000 -# -_atom_sites.entry_id 1DMR -_atom_sites.fract_transf_matrix[1][1] 0.012364 -_atom_sites.fract_transf_matrix[1][2] 0.000000 -_atom_sites.fract_transf_matrix[1][3] 0.000000 -_atom_sites.fract_transf_matrix[2][1] 0.000000 -_atom_sites.fract_transf_matrix[2][2] 0.012364 -_atom_sites.fract_transf_matrix[2][3] 0.000000 -_atom_sites.fract_transf_matrix[3][1] 0.000000 -_atom_sites.fract_transf_matrix[3][2] 0.000000 -_atom_sites.fract_transf_matrix[3][3] 0.004354 -_atom_sites.fract_transf_vector[1] 0.00000 -_atom_sites.fract_transf_vector[2] 0.00000 -_atom_sites.fract_transf_vector[3] 0.00000 -# -loop_ -_atom_type.symbol -C -MO -N -O -P -S -# -loop_ -_atom_site.group_PDB -_atom_site.id -_atom_site.type_symbol -_atom_site.label_atom_id -_atom_site.label_alt_id -_atom_site.label_comp_id -_atom_site.label_asym_id -_atom_site.label_entity_id -_atom_site.label_seq_id -_atom_site.pdbx_PDB_ins_code -_atom_site.Cartn_x -_atom_site.Cartn_y -_atom_site.Cartn_z -_atom_site.occupancy -_atom_site.B_iso_or_equiv -_atom_site.pdbx_formal_charge -_atom_site.auth_seq_id -_atom_site.auth_comp_id -_atom_site.auth_asym_id -_atom_site.auth_atom_id -_atom_site.pdbx_PDB_model_num -ATOM 1 N N . LEU A 1 45 ? 21.602 56.970 2.893 1.00 38.81 ? 3 LEU A N 1 -ATOM 2 C CA . LEU A 1 45 ? 20.591 57.016 3.994 1.00 36.71 ? 3 LEU A CA 1 -ATOM 3 C C . LEU A 1 45 ? 19.213 57.372 3.457 1.00 31.70 ? 3 LEU A C 1 -ATOM 4 O O . LEU A 1 45 ? 19.036 58.190 2.554 1.00 32.36 ? 3 LEU A O 1 -ATOM 5 C CB . LEU A 1 45 ? 21.078 57.921 5.116 1.00 40.29 ? 3 LEU A CB 1 -ATOM 6 C CG . LEU A 1 45 ? 22.100 57.300 6.078 1.00 42.40 ? 3 LEU A CG 1 -ATOM 7 C CD1 . LEU A 1 45 ? 22.449 58.271 7.194 1.00 43.51 ? 3 LEU A CD1 1 -ATOM 8 C CD2 . LEU A 1 45 ? 21.592 55.990 6.664 1.00 43.80 ? 3 LEU A CD2 1 -ATOM 9 N N . ALA A 1 46 ? 18.201 56.688 3.983 1.00 24.90 ? 4 ALA A N 1 -ATOM 10 C CA . ALA A 1 46 ? 16.839 56.829 3.500 1.00 17.86 ? 4 ALA A CA 1 -ATOM 11 C C . ALA A 1 46 ? 16.161 58.134 3.864 1.00 15.93 ? 4 ALA A C 1 -ATOM 12 O O . ALA A 1 46 ? 16.300 58.696 4.947 1.00 15.57 ? 4 ALA A O 1 -ATOM 13 C CB . ALA A 1 46 ? 16.019 55.662 4.055 1.00 19.77 ? 4 ALA A CB 1 -ATOM 14 N N . ASN A 1 47 ? 15.359 58.631 2.929 1.00 15.10 ? 5 ASN A N 1 -ATOM 15 C CA . ASN A 1 47 ? 14.505 59.789 3.084 1.00 14.65 ? 5 ASN A CA 1 -ATOM 16 C C . ASN A 1 47 ? 13.112 59.437 2.548 1.00 15.95 ? 5 ASN A C 1 -ATOM 17 O O . ASN A 1 47 ? 13.021 58.960 1.409 1.00 18.36 ? 5 ASN A O 1 -ATOM 18 C CB . ASN A 1 47 ? 15.004 61.002 2.303 1.00 16.63 ? 5 ASN A CB 1 -ATOM 19 C CG . ASN A 1 47 ? 16.291 61.555 2.893 1.00 18.32 ? 5 ASN A CG 1 -ATOM 20 O OD1 . ASN A 1 47 ? 16.239 62.117 3.980 1.00 18.27 ? 5 ASN A OD1 1 -ATOM 21 N ND2 . ASN A 1 47 ? 17.394 61.384 2.171 1.00 18.10 ? 5 ASN A ND2 1 -ATOM 22 N N . GLY A 1 48 ? 12.067 59.651 3.331 1.00 13.73 ? 6 GLY A N 1 -ATOM 23 C CA . GLY A 1 48 ? 10.731 59.320 2.812 1.00 12.39 ? 6 GLY A CA 1 -ATOM 24 C C . GLY A 1 48 ? 9.731 59.195 3.948 1.00 13.87 ? 6 GLY A C 1 -ATOM 25 O O . GLY A 1 48 ? 9.988 59.647 5.064 1.00 14.05 ? 6 GLY A O 1 -ATOM 26 N N . THR A 1 49 ? 8.572 58.608 3.639 1.00 9.09 ? 7 THR A N 1 -ATOM 27 C CA . THR A 1 49 ? 7.520 58.471 4.644 1.00 10.34 ? 7 THR A CA 1 -ATOM 28 C C . THR A 1 49 ? 7.065 57.023 4.680 1.00 13.72 ? 7 THR A C 1 -ATOM 29 O O . THR A 1 49 ? 7.169 56.305 3.675 1.00 13.92 ? 7 THR A O 1 -ATOM 30 C CB . THR A 1 49 ? 6.302 59.365 4.353 1.00 14.94 ? 7 THR A CB 1 -ATOM 31 O OG1 . THR A 1 49 ? 5.773 58.975 3.081 1.00 16.06 ? 7 THR A OG1 1 -ATOM 32 C CG2 . THR A 1 49 ? 6.630 60.854 4.304 1.00 14.63 ? 7 THR A CG2 1 -ATOM 33 N N . VAL A 1 50 ? 6.660 56.552 5.863 1.00 10.36 ? 8 VAL A N 1 -ATOM 34 C CA . VAL A 1 50 ? 6.240 55.169 6.043 1.00 10.85 ? 8 VAL A CA 1 -ATOM 35 C C . VAL A 1 50 ? 5.055 55.153 7.022 1.00 11.27 ? 8 VAL A C 1 -ATOM 36 O O . VAL A 1 50 ? 5.131 55.863 8.031 1.00 13.27 ? 8 VAL A O 1 -ATOM 37 C CB . VAL A 1 50 ? 7.310 54.258 6.683 1.00 16.59 ? 8 VAL A CB 1 -ATOM 38 C CG1 . VAL A 1 50 ? 6.840 52.793 6.682 1.00 16.39 ? 8 VAL A CG1 1 -ATOM 39 C CG2 . VAL A 1 50 ? 8.679 54.310 6.046 1.00 18.70 ? 8 VAL A CG2 1 -ATOM 40 N N . MET A 1 51 ? 4.032 54.366 6.731 1.00 10.03 ? 9 MET A N 1 -ATOM 41 C CA . MET A 1 51 ? 2.893 54.259 7.645 1.00 10.10 ? 9 MET A CA 1 -ATOM 42 C C . MET A 1 51 ? 3.025 53.033 8.539 1.00 9.19 ? 9 MET A C 1 -ATOM 43 O O . MET A 1 51 ? 3.424 51.964 8.062 1.00 9.91 ? 9 MET A O 1 -ATOM 44 C CB . MET A 1 51 ? 1.581 54.179 6.847 1.00 12.43 ? 9 MET A CB 1 -ATOM 45 C CG . MET A 1 51 ? 0.350 53.902 7.708 1.00 16.55 ? 9 MET A CG 1 -ATOM 46 S SD . MET A 1 51 ? -1.220 54.234 6.851 1.00 21.99 ? 9 MET A SD 1 -ATOM 47 C CE . MET A 1 51 ? -1.232 52.883 5.681 1.00 21.69 ? 9 MET A CE 1 -ATOM 48 N N . SER A 1 52 ? 2.705 53.165 9.825 1.00 7.45 ? 10 SER A N 1 -ATOM 49 C CA . SER A 1 52 ? 2.718 52.039 10.749 1.00 6.04 ? 10 SER A CA 1 -ATOM 50 C C . SER A 1 52 ? 1.685 52.299 11.854 1.00 9.53 ? 10 SER A C 1 -ATOM 51 O O . SER A 1 52 ? 0.837 53.174 11.686 1.00 8.47 ? 10 SER A O 1 -ATOM 52 C CB . SER A 1 52 ? 4.082 51.734 11.354 1.00 5.72 ? 10 SER A CB 1 -ATOM 53 O OG . SER A 1 52 ? 4.064 50.423 11.908 1.00 8.71 ? 10 SER A OG 1 -ATOM 54 N N . GLY A 1 53 ? 1.734 51.528 12.937 1.00 9.86 ? 11 GLY A N 1 -ATOM 55 C CA . GLY A 1 53 ? 0.739 51.687 13.999 1.00 9.05 ? 11 GLY A CA 1 -ATOM 56 C C . GLY A 1 53 ? 1.320 51.303 15.355 1.00 9.36 ? 11 GLY A C 1 -ATOM 57 O O . GLY A 1 53 ? 2.464 50.857 15.459 1.00 7.69 ? 11 GLY A O 1 -ATOM 58 N N . SER A 1 54 ? 0.508 51.477 16.392 1.00 6.17 ? 12 SER A N 1 -ATOM 59 C CA . SER A 1 54 ? 0.972 51.229 17.757 1.00 5.90 ? 12 SER A CA 1 -ATOM 60 C C . SER A 1 54 ? -0.244 51.135 18.662 1.00 6.86 ? 12 SER A C 1 -ATOM 61 O O . SER A 1 54 ? -1.377 51.326 18.181 1.00 6.51 ? 12 SER A O 1 -ATOM 62 C CB . SER A 1 54 ? 1.806 52.450 18.202 1.00 7.70 ? 12 SER A CB 1 -ATOM 63 O OG . SER A 1 54 ? 0.976 53.615 18.234 1.00 8.67 ? 12 SER A OG 1 -ATOM 64 N N . HIS A 1 55 ? -0.046 50.963 19.961 1.00 6.28 ? 13 HIS A N 1 -ATOM 65 C CA . HIS A 1 55 ? -1.143 50.979 20.915 1.00 6.87 ? 13 HIS A CA 1 -ATOM 66 C C . HIS A 1 55 ? -1.841 52.339 20.940 1.00 7.64 ? 13 HIS A C 1 -ATOM 67 O O . HIS A 1 55 ? -2.953 52.391 21.467 1.00 6.55 ? 13 HIS A O 1 -ATOM 68 C CB . HIS A 1 55 ? -0.644 50.696 22.337 1.00 6.57 ? 13 HIS A CB 1 -ATOM 69 C CG . HIS A 1 55 ? -0.338 49.292 22.723 1.00 6.46 ? 13 HIS A CG 1 -ATOM 70 N ND1 . HIS A 1 55 ? -1.247 48.262 22.599 1.00 5.94 ? 13 HIS A ND1 1 -ATOM 71 C CD2 . HIS A 1 55 ? 0.790 48.757 23.286 1.00 5.50 ? 13 HIS A CD2 1 -ATOM 72 C CE1 . HIS A 1 55 ? -0.689 47.144 23.050 1.00 9.80 ? 13 HIS A CE1 1 -ATOM 73 N NE2 . HIS A 1 55 ? 0.524 47.413 23.484 1.00 8.30 ? 13 HIS A NE2 1 -ATOM 74 N N . TRP A 1 56 ? -1.243 53.412 20.434 1.00 6.26 ? 14 TRP A N 1 -ATOM 75 C CA . TRP A 1 56 ? -1.809 54.744 20.424 1.00 7.69 ? 14 TRP A CA 1 -ATOM 76 C C . TRP A 1 56 ? -2.521 55.148 19.141 1.00 9.68 ? 14 TRP A C 1 -ATOM 77 O O . TRP A 1 56 ? -3.194 56.183 19.078 1.00 9.67 ? 14 TRP A O 1 -ATOM 78 C CB . TRP A 1 56 ? -0.682 55.767 20.682 1.00 7.36 ? 14 TRP A CB 1 -ATOM 79 C CG . TRP A 1 56 ? -0.099 55.656 22.058 1.00 7.69 ? 14 TRP A CG 1 -ATOM 80 C CD1 . TRP A 1 56 ? -0.457 56.382 23.158 1.00 9.00 ? 14 TRP A CD1 1 -ATOM 81 C CD2 . TRP A 1 56 ? 0.974 54.799 22.472 1.00 8.12 ? 14 TRP A CD2 1 -ATOM 82 N NE1 . TRP A 1 56 ? 0.321 56.011 24.241 1.00 9.55 ? 14 TRP A NE1 1 -ATOM 83 C CE2 . TRP A 1 56 ? 1.198 55.042 23.845 1.00 9.12 ? 14 TRP A CE2 1 -ATOM 84 C CE3 . TRP A 1 56 ? 1.761 53.850 21.809 1.00 9.42 ? 14 TRP A CE3 1 -ATOM 85 C CZ2 . TRP A 1 56 ? 2.173 54.369 24.576 1.00 9.25 ? 14 TRP A CZ2 1 -ATOM 86 C CZ3 . TRP A 1 56 ? 2.728 53.174 22.543 1.00 11.10 ? 14 TRP A CZ3 1 -ATOM 87 C CH2 . TRP A 1 56 ? 2.928 53.440 23.903 1.00 10.29 ? 14 TRP A CH2 1 -ATOM 88 N N . GLY A 1 57 ? -2.421 54.336 18.088 1.00 8.12 ? 15 GLY A N 1 -ATOM 89 C CA . GLY A 1 57 ? -3.075 54.633 16.827 1.00 6.54 ? 15 GLY A CA 1 -ATOM 90 C C . GLY A 1 57 ? -2.177 54.406 15.618 1.00 8.65 ? 15 GLY A C 1 -ATOM 91 O O . GLY A 1 57 ? -1.016 54.003 15.692 1.00 8.61 ? 15 GLY A O 1 -ATOM 92 N N . VAL A 1 58 ? -2.751 54.687 14.456 1.00 9.52 ? 16 VAL A N 1 -ATOM 93 C CA . VAL A 1 58 ? -2.079 54.617 13.165 1.00 8.75 ? 16 VAL A CA 1 -ATOM 94 C C . VAL A 1 58 ? -1.399 55.956 12.874 1.00 9.72 ? 16 VAL A C 1 -ATOM 95 O O . VAL A 1 58 ? -1.962 57.006 13.211 1.00 9.36 ? 16 VAL A O 1 -ATOM 96 C CB . VAL A 1 58 ? -3.135 54.350 12.071 1.00 8.09 ? 16 VAL A CB 1 -ATOM 97 C CG1 . VAL A 1 58 ? -2.504 54.293 10.678 1.00 8.39 ? 16 VAL A CG1 1 -ATOM 98 C CG2 . VAL A 1 58 ? -3.916 53.064 12.331 1.00 9.99 ? 16 VAL A CG2 1 -ATOM 99 N N . PHE A 1 59 ? -0.218 55.970 12.265 1.00 9.18 ? 17 PHE A N 1 -ATOM 100 C CA . PHE A 1 59 ? 0.487 57.202 11.958 1.00 10.32 ? 17 PHE A CA 1 -ATOM 101 C C . PHE A 1 59 ? 1.405 57.045 10.748 1.00 12.85 ? 17 PHE A C 1 -ATOM 102 O O . PHE A 1 59 ? 1.671 55.924 10.314 1.00 11.54 ? 17 PHE A O 1 -ATOM 103 C CB . PHE A 1 59 ? 1.378 57.631 13.151 1.00 10.01 ? 17 PHE A CB 1 -ATOM 104 C CG . PHE A 1 59 ? 2.402 56.582 13.512 1.00 8.97 ? 17 PHE A CG 1 -ATOM 105 C CD1 . PHE A 1 59 ? 3.652 56.580 12.915 1.00 10.18 ? 17 PHE A CD1 1 -ATOM 106 C CD2 . PHE A 1 59 ? 2.097 55.609 14.454 1.00 11.41 ? 17 PHE A CD2 1 -ATOM 107 C CE1 . PHE A 1 59 ? 4.591 55.606 13.238 1.00 11.26 ? 17 PHE A CE1 1 -ATOM 108 C CE2 . PHE A 1 59 ? 3.035 54.634 14.781 1.00 13.67 ? 17 PHE A CE2 1 -ATOM 109 C CZ . PHE A 1 59 ? 4.270 54.638 14.173 1.00 11.93 ? 17 PHE A CZ 1 -ATOM 110 N N . THR A 1 60 ? 1.907 58.177 10.265 1.00 12.16 ? 18 THR A N 1 -ATOM 111 C CA . THR A 1 60 ? 2.872 58.188 9.167 1.00 12.98 ? 18 THR A CA 1 -ATOM 112 C C . THR A 1 60 ? 4.168 58.772 9.726 1.00 12.93 ? 18 THR A C 1 -ATOM 113 O O . THR A 1 60 ? 4.111 59.831 10.378 1.00 11.81 ? 18 THR A O 1 -ATOM 114 C CB . THR A 1 60 ? 2.426 59.038 7.968 1.00 16.29 ? 18 THR A CB 1 -ATOM 115 O OG1 . THR A 1 60 ? 1.177 58.536 7.472 1.00 17.62 ? 18 THR A OG1 1 -ATOM 116 C CG2 . THR A 1 60 ? 3.441 58.958 6.830 1.00 18.33 ? 18 THR A CG2 1 -ATOM 117 N N . ALA A 1 61 ? 5.276 58.065 9.524 1.00 10.15 ? 19 ALA A N 1 -ATOM 118 C CA . ALA A 1 61 ? 6.538 58.595 10.037 1.00 9.84 ? 19 ALA A CA 1 -ATOM 119 C C . ALA A 1 61 ? 7.269 59.315 8.900 1.00 11.54 ? 19 ALA A C 1 -ATOM 120 O O . ALA A 1 61 ? 7.184 58.861 7.764 1.00 10.98 ? 19 ALA A O 1 -ATOM 121 C CB . ALA A 1 61 ? 7.437 57.495 10.577 1.00 10.57 ? 19 ALA A CB 1 -ATOM 122 N N . THR A 1 62 ? 7.915 60.411 9.241 1.00 9.32 ? 20 THR A N 1 -ATOM 123 C CA . THR A 1 62 ? 8.782 61.107 8.283 1.00 12.76 ? 20 THR A CA 1 -ATOM 124 C C . THR A 1 62 ? 10.190 60.593 8.587 1.00 11.98 ? 20 THR A C 1 -ATOM 125 O O . THR A 1 62 ? 10.545 60.513 9.767 1.00 13.24 ? 20 THR A O 1 -ATOM 126 C CB . THR A 1 62 ? 8.732 62.626 8.453 1.00 14.57 ? 20 THR A CB 1 -ATOM 127 O OG1 . THR A 1 62 ? 7.436 63.113 8.100 1.00 14.56 ? 20 THR A OG1 1 -ATOM 128 C CG2 . THR A 1 62 ? 9.780 63.298 7.567 1.00 15.81 ? 20 THR A CG2 1 -ATOM 129 N N . VAL A 1 63 ? 10.967 60.183 7.593 1.00 9.26 ? 21 VAL A N 1 -ATOM 130 C CA . VAL A 1 63 ? 12.303 59.660 7.848 1.00 8.86 ? 21 VAL A CA 1 -ATOM 131 C C . VAL A 1 63 ? 13.304 60.549 7.108 1.00 12.02 ? 21 VAL A C 1 -ATOM 132 O O . VAL A 1 63 ? 13.067 60.834 5.936 1.00 12.54 ? 21 VAL A O 1 -ATOM 133 C CB . VAL A 1 63 ? 12.478 58.221 7.351 1.00 10.47 ? 21 VAL A CB 1 -ATOM 134 C CG1 . VAL A 1 63 ? 13.932 57.778 7.480 1.00 13.51 ? 21 VAL A CG1 1 -ATOM 135 C CG2 . VAL A 1 63 ? 11.568 57.250 8.107 1.00 12.65 ? 21 VAL A CG2 1 -ATOM 136 N N . GLU A 1 64 ? 14.316 61.033 7.794 1.00 13.69 ? 22 GLU A N 1 -ATOM 137 C CA . GLU A 1 64 ? 15.312 61.905 7.173 1.00 16.03 ? 22 GLU A CA 1 -ATOM 138 C C . GLU A 1 64 ? 16.701 61.365 7.461 1.00 15.71 ? 22 GLU A C 1 -ATOM 139 O O . GLU A 1 64 ? 17.089 61.265 8.626 1.00 12.55 ? 22 GLU A O 1 -ATOM 140 C CB . GLU A 1 64 ? 15.230 63.339 7.710 1.00 21.98 ? 22 GLU A CB 1 -ATOM 141 C CG . GLU A 1 64 ? 13.901 64.026 7.451 1.00 28.85 ? 22 GLU A CG 1 -ATOM 142 C CD . GLU A 1 64 ? 13.787 65.389 8.103 1.00 33.98 ? 22 GLU A CD 1 -ATOM 143 O OE1 . GLU A 1 64 ? 14.821 66.076 8.246 1.00 35.99 ? 22 GLU A OE1 1 -ATOM 144 O OE2 . GLU A 1 64 ? 12.654 65.761 8.465 1.00 36.30 ? 22 GLU A OE2 1 -ATOM 145 N N . ASN A 1 65 ? 17.424 60.969 6.424 1.00 14.38 ? 23 ASN A N 1 -ATOM 146 C CA . ASN A 1 65 ? 18.756 60.402 6.590 1.00 18.64 ? 23 ASN A CA 1 -ATOM 147 C C . ASN A 1 65 ? 18.746 59.223 7.554 1.00 18.55 ? 23 ASN A C 1 -ATOM 148 O O . ASN A 1 65 ? 19.608 59.092 8.430 1.00 17.60 ? 23 ASN A O 1 -ATOM 149 C CB . ASN A 1 65 ? 19.747 61.494 7.016 1.00 25.64 ? 23 ASN A CB 1 -ATOM 150 C CG . ASN A 1 65 ? 19.979 62.468 5.869 1.00 31.23 ? 23 ASN A CG 1 -ATOM 151 O OD1 . ASN A 1 65 ? 20.334 62.057 4.762 1.00 35.28 ? 23 ASN A OD1 1 -ATOM 152 N ND2 . ASN A 1 65 ? 19.762 63.754 6.104 1.00 34.20 ? 23 ASN A ND2 1 -ATOM 153 N N . GLY A 1 66 ? 17.762 58.332 7.417 1.00 13.94 ? 24 GLY A N 1 -ATOM 154 C CA . GLY A 1 66 ? 17.676 57.130 8.217 1.00 13.27 ? 24 GLY A CA 1 -ATOM 155 C C . GLY A 1 66 ? 17.188 57.308 9.643 1.00 13.29 ? 24 GLY A C 1 -ATOM 156 O O . GLY A 1 66 ? 17.230 56.345 10.414 1.00 13.71 ? 24 GLY A O 1 -ATOM 157 N N . ARG A 1 67 ? 16.743 58.505 10.005 1.00 11.90 ? 25 ARG A N 1 -ATOM 158 C CA . ARG A 1 67 ? 16.243 58.727 11.363 1.00 13.77 ? 25 ARG A CA 1 -ATOM 159 C C . ARG A 1 67 ? 14.783 59.134 11.315 1.00 12.64 ? 25 ARG A C 1 -ATOM 160 O O . ARG A 1 67 ? 14.420 59.940 10.452 1.00 13.18 ? 25 ARG A O 1 -ATOM 161 C CB . ARG A 1 67 ? 17.092 59.836 11.995 1.00 18.49 ? 25 ARG A CB 1 -ATOM 162 C CG . ARG A 1 67 ? 16.590 60.321 13.349 1.00 25.18 ? 25 ARG A CG 1 -ATOM 163 C CD . ARG A 1 67 ? 17.692 61.118 14.051 1.00 29.88 ? 25 ARG A CD 1 -ATOM 164 N NE . ARG A 1 67 ? 17.519 61.176 15.494 1.00 32.56 ? 25 ARG A NE 1 -ATOM 165 C CZ . ARG A 1 67 ? 18.316 60.595 16.381 1.00 31.36 ? 25 ARG A CZ 1 -ATOM 166 N NH1 . ARG A 1 67 ? 19.369 59.884 16.010 1.00 34.10 ? 25 ARG A NH1 1 -ATOM 167 N NH2 . ARG A 1 67 ? 18.047 60.735 17.669 1.00 36.02 ? 25 ARG A NH2 1 -ATOM 168 N N . ALA A 1 68 ? 13.943 58.608 12.213 1.00 10.36 ? 26 ALA A N 1 -ATOM 169 C CA . ALA A 1 68 ? 12.543 59.042 12.234 1.00 12.96 ? 26 ALA A CA 1 -ATOM 170 C C . ALA A 1 68 ? 12.499 60.420 12.891 1.00 12.81 ? 26 ALA A C 1 -ATOM 171 O O . ALA A 1 68 ? 13.058 60.581 13.986 1.00 13.42 ? 26 ALA A O 1 -ATOM 172 C CB . ALA A 1 68 ? 11.653 58.055 12.983 1.00 10.95 ? 26 ALA A CB 1 -ATOM 173 N N . THR A 1 69 ? 11.876 61.404 12.253 1.00 10.50 ? 27 THR A N 1 -ATOM 174 C CA . THR A 1 69 ? 11.876 62.759 12.796 1.00 12.96 ? 27 THR A CA 1 -ATOM 175 C C . THR A 1 69 ? 10.516 63.296 13.199 1.00 13.55 ? 27 THR A C 1 -ATOM 176 O O . THR A 1 69 ? 10.432 64.327 13.879 1.00 16.01 ? 27 THR A O 1 -ATOM 177 C CB . THR A 1 69 ? 12.512 63.749 11.795 1.00 14.21 ? 27 THR A CB 1 -ATOM 178 O OG1 . THR A 1 69 ? 11.790 63.673 10.559 1.00 15.41 ? 27 THR A OG1 1 -ATOM 179 C CG2 . THR A 1 69 ? 13.972 63.417 11.563 1.00 14.77 ? 27 THR A CG2 1 -ATOM 180 N N . ALA A 1 70 ? 9.442 62.620 12.818 1.00 12.49 ? 28 ALA A N 1 -ATOM 181 C CA . ALA A 1 70 ? 8.105 63.039 13.206 1.00 15.07 ? 28 ALA A CA 1 -ATOM 182 C C . ALA A 1 70 ? 7.115 61.903 12.967 1.00 14.73 ? 28 ALA A C 1 -ATOM 183 O O . ALA A 1 70 ? 7.299 61.115 12.041 1.00 12.42 ? 28 ALA A O 1 -ATOM 184 C CB . ALA A 1 70 ? 7.702 64.258 12.375 1.00 16.48 ? 28 ALA A CB 1 -ATOM 185 N N . PHE A 1 71 ? 6.090 61.812 13.801 1.00 12.22 ? 29 PHE A N 1 -ATOM 186 C CA . PHE A 1 71 ? 5.012 60.850 13.627 1.00 12.14 ? 29 PHE A CA 1 -ATOM 187 C C . PHE A 1 71 ? 3.735 61.688 13.447 1.00 16.78 ? 29 PHE A C 1 -ATOM 188 O O . PHE A 1 71 ? 3.432 62.450 14.370 1.00 19.78 ? 29 PHE A O 1 -ATOM 189 C CB . PHE A 1 71 ? 4.815 59.925 14.810 1.00 14.33 ? 29 PHE A CB 1 -ATOM 190 C CG . PHE A 1 71 ? 5.728 58.755 14.984 1.00 14.52 ? 29 PHE A CG 1 -ATOM 191 C CD1 . PHE A 1 71 ? 6.790 58.516 14.127 1.00 13.52 ? 29 PHE A CD1 1 -ATOM 192 C CD2 . PHE A 1 71 ? 5.516 57.871 16.039 1.00 11.93 ? 29 PHE A CD2 1 -ATOM 193 C CE1 . PHE A 1 71 ? 7.627 57.431 14.287 1.00 15.50 ? 29 PHE A CE1 1 -ATOM 194 C CE2 . PHE A 1 71 ? 6.349 56.775 16.203 1.00 12.32 ? 29 PHE A CE2 1 -ATOM 195 C CZ . PHE A 1 71 ? 7.400 56.559 15.335 1.00 13.39 ? 29 PHE A CZ 1 -ATOM 196 N N . THR A 1 72 ? 3.068 61.587 12.313 1.00 13.09 ? 30 THR A N 1 -ATOM 197 C CA . THR A 1 72 ? 1.862 62.384 12.070 1.00 13.52 ? 30 THR A CA 1 -ATOM 198 C C . THR A 1 72 ? 0.652 61.461 12.109 1.00 11.49 ? 30 THR A C 1 -ATOM 199 O O . THR A 1 72 ? 0.687 60.422 11.462 1.00 12.01 ? 30 THR A O 1 -ATOM 200 C CB . THR A 1 72 ? 1.957 63.032 10.676 1.00 14.92 ? 30 THR A CB 1 -ATOM 201 O OG1 . THR A 1 72 ? 3.164 63.807 10.596 1.00 18.69 ? 30 THR A OG1 1 -ATOM 202 C CG2 . THR A 1 72 ? 0.751 63.908 10.387 1.00 16.69 ? 30 THR A CG2 1 -ATOM 203 N N . PRO A 1 73 ? -0.402 61.823 12.819 1.00 13.57 ? 31 PRO A N 1 -ATOM 204 C CA . PRO A 1 73 ? -1.579 60.985 12.929 1.00 12.56 ? 31 PRO A CA 1 -ATOM 205 C C . PRO A 1 73 ? -2.207 60.677 11.583 1.00 11.70 ? 31 PRO A C 1 -ATOM 206 O O . PRO A 1 73 ? -2.186 61.496 10.662 1.00 11.75 ? 31 PRO A O 1 -ATOM 207 C CB . PRO A 1 73 ? -2.544 61.747 13.828 1.00 14.08 ? 31 PRO A CB 1 -ATOM 208 C CG . PRO A 1 73 ? -1.889 63.015 14.205 1.00 17.68 ? 31 PRO A CG 1 -ATOM 209 C CD . PRO A 1 73 ? -0.515 63.073 13.604 1.00 17.02 ? 31 PRO A CD 1 -ATOM 210 N N . TRP A 1 74 ? -2.798 59.496 11.493 1.00 10.12 ? 32 TRP A N 1 -ATOM 211 C CA . TRP A 1 74 ? -3.534 59.029 10.326 1.00 11.83 ? 32 TRP A CA 1 -ATOM 212 C C . TRP A 1 74 ? -4.626 60.048 10.035 1.00 13.39 ? 32 TRP A C 1 -ATOM 213 O O . TRP A 1 74 ? -5.308 60.492 10.962 1.00 10.33 ? 32 TRP A O 1 -ATOM 214 C CB . TRP A 1 74 ? -4.164 57.675 10.640 1.00 12.13 ? 32 TRP A CB 1 -ATOM 215 C CG . TRP A 1 74 ? -4.890 56.910 9.583 1.00 14.93 ? 32 TRP A CG 1 -ATOM 216 C CD1 . TRP A 1 74 ? -4.703 56.959 8.233 1.00 17.03 ? 32 TRP A CD1 1 -ATOM 217 C CD2 . TRP A 1 74 ? -5.926 55.933 9.799 1.00 13.45 ? 32 TRP A CD2 1 -ATOM 218 N NE1 . TRP A 1 74 ? -5.551 56.080 7.602 1.00 16.37 ? 32 TRP A NE1 1 -ATOM 219 C CE2 . TRP A 1 74 ? -6.312 55.441 8.540 1.00 17.19 ? 32 TRP A CE2 1 -ATOM 220 C CE3 . TRP A 1 74 ? -6.552 55.420 10.938 1.00 17.23 ? 32 TRP A CE3 1 -ATOM 221 C CZ2 . TRP A 1 74 ? -7.304 54.472 8.384 1.00 17.74 ? 32 TRP A CZ2 1 -ATOM 222 C CZ3 . TRP A 1 74 ? -7.541 54.464 10.788 1.00 19.17 ? 32 TRP A CZ3 1 -ATOM 223 C CH2 . TRP A 1 74 ? -7.902 53.999 9.513 1.00 19.58 ? 32 TRP A CH2 1 -ATOM 224 N N . GLU A 1 75 ? -4.816 60.407 8.763 1.00 15.98 ? 33 GLU A N 1 -ATOM 225 C CA . GLU A 1 75 ? -5.841 61.395 8.434 1.00 20.17 ? 33 GLU A CA 1 -ATOM 226 C C . GLU A 1 75 ? -7.244 60.927 8.796 1.00 17.13 ? 33 GLU A C 1 -ATOM 227 O O . GLU A 1 75 ? -8.108 61.773 9.033 1.00 18.97 ? 33 GLU A O 1 -ATOM 228 C CB . GLU A 1 75 ? -5.766 61.763 6.946 1.00 23.32 ? 33 GLU A CB 1 -ATOM 229 C CG . GLU A 1 75 ? -6.380 60.707 6.043 1.00 33.24 ? 33 GLU A CG 1 -ATOM 230 C CD . GLU A 1 75 ? -6.331 61.050 4.567 1.00 40.31 ? 33 GLU A CD 1 -ATOM 231 O OE1 . GLU A 1 75 ? -5.715 62.072 4.190 1.00 42.90 ? 33 GLU A OE1 1 -ATOM 232 O OE2 . GLU A 1 75 ? -6.916 60.289 3.762 1.00 43.06 ? 33 GLU A OE2 1 -ATOM 233 N N . LYS A 1 76 ? -7.528 59.636 8.874 1.00 16.78 ? 34 LYS A N 1 -ATOM 234 C CA . LYS A 1 76 ? -8.849 59.140 9.222 1.00 16.38 ? 34 LYS A CA 1 -ATOM 235 C C . LYS A 1 76 ? -9.061 58.903 10.711 1.00 17.14 ? 34 LYS A C 1 -ATOM 236 O O . LYS A 1 76 ? -10.123 58.405 11.097 1.00 16.18 ? 34 LYS A O 1 -ATOM 237 C CB . LYS A 1 76 ? -9.154 57.850 8.447 1.00 21.08 ? 34 LYS A CB 1 -ATOM 238 C CG . LYS A 1 76 ? -9.013 58.065 6.940 1.00 28.52 ? 34 LYS A CG 1 -ATOM 239 C CD . LYS A 1 76 ? -9.045 56.740 6.198 1.00 31.79 ? 34 LYS A CD 1 -ATOM 240 C CE . LYS A 1 76 ? -10.469 56.358 5.833 1.00 36.44 ? 34 LYS A CE 1 -ATOM 241 N NZ . LYS A 1 76 ? -10.516 55.289 4.794 1.00 37.80 ? 34 LYS A NZ 1 -ATOM 242 N N . ASP A 1 77 ? -8.085 59.214 11.555 1.00 13.92 ? 35 ASP A N 1 -ATOM 243 C CA . ASP A 1 77 ? -8.262 59.023 13.001 1.00 11.23 ? 35 ASP A CA 1 -ATOM 244 C C . ASP A 1 77 ? -9.090 60.190 13.517 1.00 11.13 ? 35 ASP A C 1 -ATOM 245 O O . ASP A 1 77 ? -8.694 61.348 13.375 1.00 12.46 ? 35 ASP A O 1 -ATOM 246 C CB . ASP A 1 77 ? -6.888 58.991 13.666 1.00 12.83 ? 35 ASP A CB 1 -ATOM 247 C CG . ASP A 1 77 ? -6.894 58.641 15.138 1.00 14.06 ? 35 ASP A CG 1 -ATOM 248 O OD1 . ASP A 1 77 ? -7.921 58.858 15.814 1.00 10.96 ? 35 ASP A OD1 1 -ATOM 249 O OD2 . ASP A 1 77 ? -5.842 58.156 15.615 1.00 15.43 ? 35 ASP A OD2 1 -ATOM 250 N N . PRO A 1 78 ? -10.246 59.923 14.110 1.00 11.51 ? 36 PRO A N 1 -ATOM 251 C CA . PRO A 1 78 ? -11.134 60.968 14.601 1.00 13.68 ? 36 PRO A CA 1 -ATOM 252 C C . PRO A 1 78 ? -10.628 61.723 15.810 1.00 14.41 ? 36 PRO A C 1 -ATOM 253 O O . PRO A 1 78 ? -11.115 62.825 16.088 1.00 12.54 ? 36 PRO A O 1 -ATOM 254 C CB . PRO A 1 78 ? -12.436 60.238 14.929 1.00 14.57 ? 36 PRO A CB 1 -ATOM 255 C CG . PRO A 1 78 ? -12.025 58.830 15.180 1.00 15.91 ? 36 PRO A CG 1 -ATOM 256 C CD . PRO A 1 78 ? -10.816 58.575 14.313 1.00 13.23 ? 36 PRO A CD 1 -ATOM 257 N N . HIS A 1 79 ? -9.671 61.146 16.548 1.00 8.10 ? 37 HIS A N 1 -ATOM 258 C CA . HIS A 1 79 ? -9.144 61.802 17.737 1.00 10.05 ? 37 HIS A CA 1 -ATOM 259 C C . HIS A 1 79 ? -7.793 61.244 18.145 1.00 9.50 ? 37 HIS A C 1 -ATOM 260 O O . HIS A 1 79 ? -7.705 60.394 19.029 1.00 10.65 ? 37 HIS A O 1 -ATOM 261 C CB . HIS A 1 79 ? -10.148 61.570 18.886 1.00 12.05 ? 37 HIS A CB 1 -ATOM 262 C CG . HIS A 1 79 ? -9.955 62.510 20.037 1.00 12.24 ? 37 HIS A CG 1 -ATOM 263 N ND1 . HIS A 1 79 ? -10.864 63.513 20.319 1.00 14.67 ? 37 HIS A ND1 1 -ATOM 264 C CD2 . HIS A 1 79 ? -8.990 62.589 20.978 1.00 13.40 ? 37 HIS A CD2 1 -ATOM 265 C CE1 . HIS A 1 79 ? -10.458 64.175 21.384 1.00 14.84 ? 37 HIS A CE1 1 -ATOM 266 N NE2 . HIS A 1 79 ? -9.328 63.644 21.801 1.00 14.75 ? 37 HIS A NE2 1 -ATOM 267 N N . PRO A 1 80 ? -6.720 61.679 17.499 1.00 11.61 ? 38 PRO A N 1 -ATOM 268 C CA . PRO A 1 80 ? -5.373 61.254 17.802 1.00 12.16 ? 38 PRO A CA 1 -ATOM 269 C C . PRO A 1 80 ? -4.965 61.507 19.243 1.00 13.99 ? 38 PRO A C 1 -ATOM 270 O O . PRO A 1 80 ? -5.473 62.424 19.889 1.00 13.82 ? 38 PRO A O 1 -ATOM 271 C CB . PRO A 1 80 ? -4.475 62.122 16.912 1.00 14.23 ? 38 PRO A CB 1 -ATOM 272 C CG . PRO A 1 80 ? -5.365 62.714 15.889 1.00 15.14 ? 38 PRO A CG 1 -ATOM 273 C CD . PRO A 1 80 ? -6.761 62.719 16.431 1.00 13.59 ? 38 PRO A CD 1 -ATOM 274 N N . SER A 1 81 ? -4.034 60.689 19.733 1.00 11.60 ? 39 SER A N 1 -ATOM 275 C CA . SER A 1 81 ? -3.541 60.885 21.097 1.00 10.59 ? 39 SER A CA 1 -ATOM 276 C C . SER A 1 81 ? -2.347 61.815 21.074 1.00 12.85 ? 39 SER A C 1 -ATOM 277 O O . SER A 1 81 ? -1.403 61.608 20.300 1.00 10.77 ? 39 SER A O 1 -ATOM 278 C CB . SER A 1 81 ? -3.150 59.513 21.670 1.00 9.76 ? 39 SER A CB 1 -ATOM 279 O OG . SER A 1 81 ? -2.543 59.652 22.959 1.00 10.83 ? 39 SER A OG 1 -ATOM 280 N N . PRO A 1 82 ? -2.289 62.772 21.999 1.00 14.60 ? 40 PRO A N 1 -ATOM 281 C CA . PRO A 1 82 ? -1.151 63.653 22.169 1.00 16.57 ? 40 PRO A CA 1 -ATOM 282 C C . PRO A 1 82 ? 0.119 62.917 22.557 1.00 15.14 ? 40 PRO A C 1 -ATOM 283 O O . PRO A 1 82 ? 1.228 63.430 22.392 1.00 17.62 ? 40 PRO A O 1 -ATOM 284 C CB . PRO A 1 82 ? -1.567 64.622 23.274 1.00 19.28 ? 40 PRO A CB 1 -ATOM 285 C CG . PRO A 1 82 ? -3.041 64.475 23.405 1.00 22.09 ? 40 PRO A CG 1 -ATOM 286 C CD . PRO A 1 82 ? -3.362 63.061 22.986 1.00 18.00 ? 40 PRO A CD 1 -ATOM 287 N N . MET A 1 83 ? 0.037 61.666 23.008 1.00 11.17 ? 41 MET A N 1 -ATOM 288 C CA . MET A 1 83 ? 1.188 60.853 23.352 1.00 11.33 ? 41 MET A CA 1 -ATOM 289 C C . MET A 1 83 ? 1.995 60.374 22.162 1.00 9.81 ? 41 MET A C 1 -ATOM 290 O O . MET A 1 83 ? 3.125 59.911 22.359 1.00 10.86 ? 41 MET A O 1 -ATOM 291 C CB . MET A 1 83 ? 0.742 59.608 24.148 1.00 8.63 ? 41 MET A CB 1 -ATOM 292 C CG . MET A 1 83 ? 0.349 59.939 25.584 1.00 8.43 ? 41 MET A CG 1 -ATOM 293 S SD . MET A 1 83 ? 0.069 58.406 26.522 1.00 9.25 ? 41 MET A SD 1 -ATOM 294 C CE . MET A 1 83 ? -1.669 58.159 26.308 1.00 8.31 ? 41 MET A CE 1 -ATOM 295 N N . LEU A 1 84 ? 1.519 60.475 20.924 1.00 9.42 ? 42 LEU A N 1 -ATOM 296 C CA . LEU A 1 84 ? 2.290 60.031 19.773 1.00 11.51 ? 42 LEU A CA 1 -ATOM 297 C C . LEU A 1 84 ? 3.716 60.548 19.709 1.00 11.30 ? 42 LEU A C 1 -ATOM 298 O O . LEU A 1 84 ? 4.629 59.829 19.276 1.00 12.83 ? 42 LEU A O 1 -ATOM 299 C CB . LEU A 1 84 ? 1.592 60.446 18.470 1.00 15.31 ? 42 LEU A CB 1 -ATOM 300 C CG . LEU A 1 84 ? 0.772 59.420 17.708 1.00 21.33 ? 42 LEU A CG 1 -ATOM 301 C CD1 . LEU A 1 84 ? 0.395 60.022 16.350 1.00 20.23 ? 42 LEU A CD1 1 -ATOM 302 C CD2 . LEU A 1 84 ? 1.487 58.090 17.546 1.00 21.55 ? 42 LEU A CD2 1 -ATOM 303 N N . ALA A 1 85 ? 3.948 61.815 20.070 1.00 11.91 ? 43 ALA A N 1 -ATOM 304 C CA . ALA A 1 85 ? 5.283 62.395 20.068 1.00 13.16 ? 43 ALA A CA 1 -ATOM 305 C C . ALA A 1 85 ? 6.245 61.625 20.972 1.00 12.82 ? 43 ALA A C 1 -ATOM 306 O O . ALA A 1 85 ? 7.441 61.508 20.669 1.00 13.82 ? 43 ALA A O 1 -ATOM 307 C CB . ALA A 1 85 ? 5.200 63.836 20.566 1.00 16.04 ? 43 ALA A CB 1 -ATOM 308 N N . GLY A 1 86 ? 5.750 61.138 22.109 1.00 8.95 ? 44 GLY A N 1 -ATOM 309 C CA . GLY A 1 86 ? 6.554 60.367 23.045 1.00 8.73 ? 44 GLY A CA 1 -ATOM 310 C C . GLY A 1 86 ? 6.914 58.989 22.499 1.00 8.53 ? 44 GLY A C 1 -ATOM 311 O O . GLY A 1 86 ? 7.974 58.438 22.803 1.00 10.30 ? 44 GLY A O 1 -ATOM 312 N N . VAL A 1 87 ? 6.034 58.410 21.671 1.00 7.00 ? 45 VAL A N 1 -ATOM 313 C CA . VAL A 1 87 ? 6.300 57.103 21.072 1.00 8.64 ? 45 VAL A CA 1 -ATOM 314 C C . VAL A 1 87 ? 7.552 57.201 20.200 1.00 9.72 ? 45 VAL A C 1 -ATOM 315 O O . VAL A 1 87 ? 8.468 56.385 20.297 1.00 9.25 ? 45 VAL A O 1 -ATOM 316 C CB . VAL A 1 87 ? 5.100 56.603 20.253 1.00 9.26 ? 45 VAL A CB 1 -ATOM 317 C CG1 . VAL A 1 87 ? 5.355 55.186 19.748 1.00 9.40 ? 45 VAL A CG1 1 -ATOM 318 C CG2 . VAL A 1 87 ? 3.822 56.629 21.088 1.00 7.91 ? 45 VAL A CG2 1 -ATOM 319 N N . LEU A 1 88 ? 7.617 58.247 19.376 1.00 11.13 ? 46 LEU A N 1 -ATOM 320 C CA . LEU A 1 88 ? 8.801 58.494 18.548 1.00 12.05 ? 46 LEU A CA 1 -ATOM 321 C C . LEU A 1 88 ? 10.042 58.669 19.416 1.00 10.50 ? 46 LEU A C 1 -ATOM 322 O O . LEU A 1 88 ? 11.088 58.062 19.206 1.00 10.61 ? 46 LEU A O 1 -ATOM 323 C CB . LEU A 1 88 ? 8.605 59.757 17.721 1.00 11.83 ? 46 LEU A CB 1 -ATOM 324 C CG . LEU A 1 88 ? 9.806 60.359 17.000 1.00 17.82 ? 46 LEU A CG 1 -ATOM 325 C CD1 . LEU A 1 88 ? 10.470 59.367 16.063 1.00 17.64 ? 46 LEU A CD1 1 -ATOM 326 C CD2 . LEU A 1 88 ? 9.357 61.608 16.240 1.00 20.70 ? 46 LEU A CD2 1 -ATOM 327 N N . ASP A 1 89 ? 9.915 59.513 20.445 1.00 8.90 ? 47 ASP A N 1 -ATOM 328 C CA . ASP A 1 89 ? 11.034 59.763 21.343 1.00 8.13 ? 47 ASP A CA 1 -ATOM 329 C C . ASP A 1 89 ? 11.524 58.513 22.049 1.00 9.74 ? 47 ASP A C 1 -ATOM 330 O O . ASP A 1 89 ? 12.738 58.378 22.290 1.00 10.08 ? 47 ASP A O 1 -ATOM 331 C CB . ASP A 1 89 ? 10.639 60.843 22.364 1.00 8.48 ? 47 ASP A CB 1 -ATOM 332 C CG . ASP A 1 89 ? 11.861 61.412 23.060 1.00 14.13 ? 47 ASP A CG 1 -ATOM 333 O OD1 . ASP A 1 89 ? 12.775 61.885 22.342 1.00 15.62 ? 47 ASP A OD1 1 -ATOM 334 O OD2 . ASP A 1 89 ? 11.930 61.401 24.303 1.00 11.96 ? 47 ASP A OD2 1 -ATOM 335 N N . SER A 1 90 ? 10.658 57.548 22.361 1.00 9.97 ? 48 SER A N 1 -ATOM 336 C CA . SER A 1 90 ? 11.062 56.311 23.027 1.00 10.22 ? 48 SER A CA 1 -ATOM 337 C C . SER A 1 90 ? 12.031 55.462 22.231 1.00 11.41 ? 48 SER A C 1 -ATOM 338 O O . SER A 1 90 ? 12.757 54.634 22.790 1.00 10.14 ? 48 SER A O 1 -ATOM 339 C CB . SER A 1 90 ? 9.845 55.469 23.425 1.00 9.63 ? 48 SER A CB 1 -ATOM 340 O OG . SER A 1 90 ? 9.230 54.848 22.304 1.00 10.80 ? 48 SER A OG 1 -ATOM 341 N N . ILE A 1 91 ? 12.101 55.645 20.913 1.00 8.65 ? 49 ILE A N 1 -ATOM 342 C CA . ILE A 1 91 ? 13.057 54.945 20.074 1.00 8.74 ? 49 ILE A CA 1 -ATOM 343 C C . ILE A 1 91 ? 14.485 55.387 20.389 1.00 9.00 ? 49 ILE A C 1 -ATOM 344 O O . ILE A 1 91 ? 15.420 54.590 20.385 1.00 9.72 ? 49 ILE A O 1 -ATOM 345 C CB . ILE A 1 91 ? 12.761 55.225 18.584 1.00 9.53 ? 49 ILE A CB 1 -ATOM 346 C CG1 . ILE A 1 91 ? 11.399 54.618 18.193 1.00 9.79 ? 49 ILE A CG1 1 -ATOM 347 C CG2 . ILE A 1 91 ? 13.869 54.705 17.675 1.00 8.65 ? 49 ILE A CG2 1 -ATOM 348 C CD1 . ILE A 1 91 ? 10.860 55.136 16.862 1.00 10.67 ? 49 ILE A CD1 1 -ATOM 349 N N . TYR A 1 92 ? 14.683 56.664 20.694 1.00 7.88 ? 50 TYR A N 1 -ATOM 350 C CA . TYR A 1 92 ? 15.988 57.269 20.853 1.00 7.54 ? 50 TYR A CA 1 -ATOM 351 C C . TYR A 1 92 ? 16.328 57.864 22.206 1.00 10.82 ? 50 TYR A C 1 -ATOM 352 O O . TYR A 1 92 ? 17.434 58.401 22.325 1.00 12.61 ? 50 TYR A O 1 -ATOM 353 C CB . TYR A 1 92 ? 16.048 58.464 19.853 1.00 7.79 ? 50 TYR A CB 1 -ATOM 354 C CG . TYR A 1 92 ? 15.840 58.082 18.395 1.00 10.55 ? 50 TYR A CG 1 -ATOM 355 C CD1 . TYR A 1 92 ? 16.822 57.410 17.683 1.00 12.34 ? 50 TYR A CD1 1 -ATOM 356 C CD2 . TYR A 1 92 ? 14.667 58.410 17.731 1.00 10.30 ? 50 TYR A CD2 1 -ATOM 357 C CE1 . TYR A 1 92 ? 16.632 57.068 16.354 1.00 13.18 ? 50 TYR A CE1 1 -ATOM 358 C CE2 . TYR A 1 92 ? 14.462 58.068 16.406 1.00 11.71 ? 50 TYR A CE2 1 -ATOM 359 C CZ . TYR A 1 92 ? 15.454 57.406 15.720 1.00 12.67 ? 50 TYR A CZ 1 -ATOM 360 O OH . TYR A 1 92 ? 15.268 57.049 14.393 1.00 12.55 ? 50 TYR A OH 1 -ATOM 361 N N . SER A 1 93 ? 15.427 57.833 23.179 1.00 8.67 ? 51 SER A N 1 -ATOM 362 C CA . SER A 1 93 ? 15.689 58.525 24.438 1.00 8.31 ? 51 SER A CA 1 -ATOM 363 C C . SER A 1 93 ? 16.887 57.954 25.161 1.00 7.08 ? 51 SER A C 1 -ATOM 364 O O . SER A 1 93 ? 17.400 56.863 24.902 1.00 7.71 ? 51 SER A O 1 -ATOM 365 C CB . SER A 1 93 ? 14.421 58.508 25.306 1.00 11.27 ? 51 SER A CB 1 -ATOM 366 O OG . SER A 1 93 ? 14.309 57.269 25.985 1.00 11.69 ? 51 SER A OG 1 -ATOM 367 N N . PRO A 1 94 ? 17.359 58.674 26.188 1.00 8.95 ? 52 PRO A N 1 -ATOM 368 C CA . PRO A 1 94 ? 18.536 58.277 26.941 1.00 10.28 ? 52 PRO A CA 1 -ATOM 369 C C . PRO A 1 94 ? 18.407 56.931 27.623 1.00 9.66 ? 52 PRO A C 1 -ATOM 370 O O . PRO A 1 94 ? 19.440 56.329 27.946 1.00 9.67 ? 52 PRO A O 1 -ATOM 371 C CB . PRO A 1 94 ? 18.743 59.401 27.956 1.00 12.22 ? 52 PRO A CB 1 -ATOM 372 C CG . PRO A 1 94 ? 18.040 60.570 27.373 1.00 12.88 ? 52 PRO A CG 1 -ATOM 373 C CD . PRO A 1 94 ? 16.877 60.013 26.583 1.00 8.36 ? 52 PRO A CD 1 -ATOM 374 N N . THR A 1 95 ? 17.181 56.464 27.896 1.00 7.90 ? 53 THR A N 1 -ATOM 375 C CA . THR A 1 95 ? 17.024 55.161 28.540 1.00 9.68 ? 53 THR A CA 1 -ATOM 376 C C . THR A 1 95 ? 16.831 54.019 27.560 1.00 9.46 ? 53 THR A C 1 -ATOM 377 O O . THR A 1 95 ? 16.462 52.909 27.954 1.00 8.34 ? 53 THR A O 1 -ATOM 378 C CB . THR A 1 95 ? 15.882 55.198 29.573 1.00 9.42 ? 53 THR A CB 1 -ATOM 379 O OG1 . THR A 1 95 ? 14.824 56.047 29.115 1.00 8.52 ? 53 THR A OG1 1 -ATOM 380 C CG2 . THR A 1 95 ? 16.418 55.751 30.887 1.00 9.59 ? 53 THR A CG2 1 -ATOM 381 N N . ARG A 1 96 ? 17.095 54.242 26.270 1.00 7.86 ? 54 ARG A N 1 -ATOM 382 C CA . ARG A 1 96 ? 17.049 53.139 25.300 1.00 9.69 ? 54 ARG A CA 1 -ATOM 383 C C . ARG A 1 96 ? 18.166 52.169 25.676 1.00 10.00 ? 54 ARG A C 1 -ATOM 384 O O . ARG A 1 96 ? 19.280 52.605 25.983 1.00 11.46 ? 54 ARG A O 1 -ATOM 385 C CB . ARG A 1 96 ? 17.241 53.679 23.887 1.00 8.89 ? 54 ARG A CB 1 -ATOM 386 C CG . ARG A 1 96 ? 17.258 52.650 22.769 1.00 12.32 ? 54 ARG A CG 1 -ATOM 387 C CD . ARG A 1 96 ? 15.836 52.145 22.503 1.00 10.32 ? 54 ARG A CD 1 -ATOM 388 N NE . ARG A 1 96 ? 15.845 50.870 21.795 1.00 8.64 ? 54 ARG A NE 1 -ATOM 389 C CZ . ARG A 1 96 ? 15.538 50.723 20.514 1.00 10.27 ? 54 ARG A CZ 1 -ATOM 390 N NH1 . ARG A 1 96 ? 15.203 51.769 19.767 1.00 9.21 ? 54 ARG A NH1 1 -ATOM 391 N NH2 . ARG A 1 96 ? 15.565 49.510 19.965 1.00 9.82 ? 54 ARG A NH2 1 -ATOM 392 N N . ILE A 1 97 ? 17.896 50.876 25.706 1.00 10.05 ? 55 ILE A N 1 -ATOM 393 C CA . ILE A 1 97 ? 18.897 49.873 26.038 1.00 7.34 ? 55 ILE A CA 1 -ATOM 394 C C . ILE A 1 97 ? 19.752 49.549 24.814 1.00 9.73 ? 55 ILE A C 1 -ATOM 395 O O . ILE A 1 97 ? 19.253 49.072 23.802 1.00 9.56 ? 55 ILE A O 1 -ATOM 396 C CB . ILE A 1 97 ? 18.262 48.570 26.561 1.00 8.83 ? 55 ILE A CB 1 -ATOM 397 C CG1 . ILE A 1 97 ? 17.298 48.894 27.704 1.00 9.44 ? 55 ILE A CG1 1 -ATOM 398 C CG2 . ILE A 1 97 ? 19.380 47.641 27.016 1.00 10.26 ? 55 ILE A CG2 1 -ATOM 399 C CD1 . ILE A 1 97 ? 16.684 47.672 28.374 1.00 11.10 ? 55 ILE A CD1 1 -ATOM 400 N N . LYS A 1 98 ? 21.056 49.801 24.914 1.00 9.97 ? 56 LYS A N 1 -ATOM 401 C CA . LYS A 1 98 ? 21.940 49.604 23.773 1.00 9.95 ? 56 LYS A CA 1 -ATOM 402 C C . LYS A 1 98 ? 22.444 48.196 23.550 1.00 9.27 ? 56 LYS A C 1 -ATOM 403 O O . LYS A 1 98 ? 22.579 47.724 22.416 1.00 9.87 ? 56 LYS A O 1 -ATOM 404 C CB . LYS A 1 98 ? 23.164 50.537 23.983 1.00 11.24 ? 56 LYS A CB 1 -ATOM 405 C CG . LYS A 1 98 ? 22.747 52.011 24.028 1.00 13.08 ? 56 LYS A CG 1 -ATOM 406 C CD . LYS A 1 98 ? 23.977 52.923 24.015 1.00 16.39 ? 56 LYS A CD 1 -ATOM 407 C CE . LYS A 1 98 ? 23.572 54.373 24.300 1.00 19.83 ? 56 LYS A CE 1 -ATOM 408 N NZ . LYS A 1 98 ? 24.763 55.173 24.729 1.00 20.10 ? 56 LYS A NZ 1 -ATOM 409 N N . TYR A 1 99 ? 22.933 47.550 24.612 1.00 9.75 ? 57 TYR A N 1 -ATOM 410 C CA . TYR A 1 99 ? 23.628 46.268 24.529 1.00 9.82 ? 57 TYR A CA 1 -ATOM 411 C C . TYR A 1 99 ? 23.179 45.237 25.548 1.00 9.22 ? 57 TYR A C 1 -ATOM 412 O O . TYR A 1 99 ? 22.637 45.591 26.594 1.00 11.80 ? 57 TYR A O 1 -ATOM 413 C CB . TYR A 1 99 ? 25.112 46.536 24.892 1.00 13.24 ? 57 TYR A CB 1 -ATOM 414 C CG . TYR A 1 99 ? 25.730 47.781 24.290 1.00 12.67 ? 57 TYR A CG 1 -ATOM 415 C CD1 . TYR A 1 99 ? 25.917 47.848 22.914 1.00 15.06 ? 57 TYR A CD1 1 -ATOM 416 C CD2 . TYR A 1 99 ? 26.100 48.871 25.063 1.00 16.02 ? 57 TYR A CD2 1 -ATOM 417 C CE1 . TYR A 1 99 ? 26.468 48.969 22.323 1.00 18.06 ? 57 TYR A CE1 1 -ATOM 418 C CE2 . TYR A 1 99 ? 26.655 50.001 24.479 1.00 17.41 ? 57 TYR A CE2 1 -ATOM 419 C CZ . TYR A 1 99 ? 26.839 50.035 23.115 1.00 20.22 ? 57 TYR A CZ 1 -ATOM 420 O OH . TYR A 1 99 ? 27.388 51.145 22.502 1.00 25.53 ? 57 TYR A OH 1 -ATOM 421 N N . PRO A 1 100 ? 23.441 43.960 25.297 1.00 11.19 ? 58 PRO A N 1 -ATOM 422 C CA . PRO A 1 100 ? 23.150 42.893 26.236 1.00 10.99 ? 58 PRO A CA 1 -ATOM 423 C C . PRO A 1 100 ? 24.050 43.056 27.458 1.00 12.16 ? 58 PRO A C 1 -ATOM 424 O O . PRO A 1 100 ? 25.226 43.412 27.323 1.00 13.39 ? 58 PRO A O 1 -ATOM 425 C CB . PRO A 1 100 ? 23.498 41.605 25.512 1.00 11.15 ? 58 PRO A CB 1 -ATOM 426 C CG . PRO A 1 100 ? 24.102 41.971 24.208 1.00 12.15 ? 58 PRO A CG 1 -ATOM 427 C CD . PRO A 1 100 ? 24.089 43.457 24.059 1.00 11.79 ? 58 PRO A CD 1 -ATOM 428 N N . MET A 1 101 ? 23.475 42.938 28.652 1.00 10.93 ? 59 MET A N 1 -ATOM 429 C CA . MET A 1 101 ? 24.231 43.136 29.874 1.00 12.01 ? 59 MET A CA 1 -ATOM 430 C C . MET A 1 101 ? 23.931 42.014 30.868 1.00 13.18 ? 59 MET A C 1 -ATOM 431 O O . MET A 1 101 ? 22.845 41.440 30.881 1.00 12.52 ? 59 MET A O 1 -ATOM 432 C CB . MET A 1 101 ? 23.867 44.435 30.588 1.00 14.32 ? 59 MET A CB 1 -ATOM 433 C CG . MET A 1 101 ? 23.651 45.696 29.779 1.00 19.54 ? 59 MET A CG 1 -ATOM 434 S SD . MET A 1 101 ? 25.215 46.390 29.207 1.00 23.14 ? 59 MET A SD 1 -ATOM 435 C CE . MET A 1 101 ? 25.912 46.983 30.744 1.00 19.03 ? 59 MET A CE 1 -ATOM 436 N N . VAL A 1 102 ? 24.926 41.732 31.703 1.00 11.86 ? 60 VAL A N 1 -ATOM 437 C CA . VAL A 1 102 ? 24.757 40.740 32.759 1.00 13.00 ? 60 VAL A CA 1 -ATOM 438 C C . VAL A 1 102 ? 25.168 41.410 34.073 1.00 13.13 ? 60 VAL A C 1 -ATOM 439 O O . VAL A 1 102 ? 26.195 42.086 34.127 1.00 15.07 ? 60 VAL A O 1 -ATOM 440 C CB . VAL A 1 102 ? 25.578 39.455 32.575 1.00 12.85 ? 60 VAL A CB 1 -ATOM 441 C CG1 . VAL A 1 102 ? 25.276 38.490 33.728 1.00 15.57 ? 60 VAL A CG1 1 -ATOM 442 C CG2 . VAL A 1 102 ? 25.297 38.781 31.241 1.00 13.09 ? 60 VAL A CG2 1 -ATOM 443 N N . ARG A 1 103 ? 24.375 41.207 35.113 1.00 11.60 ? 61 ARG A N 1 -ATOM 444 C CA . ARG A 1 103 ? 24.666 41.761 36.428 1.00 14.27 ? 61 ARG A CA 1 -ATOM 445 C C . ARG A 1 103 ? 26.006 41.195 36.911 1.00 15.55 ? 61 ARG A C 1 -ATOM 446 O O . ARG A 1 103 ? 26.211 39.981 36.879 1.00 13.57 ? 61 ARG A O 1 -ATOM 447 C CB . ARG A 1 103 ? 23.546 41.331 37.367 1.00 16.81 ? 61 ARG A CB 1 -ATOM 448 C CG . ARG A 1 103 ? 23.437 42.033 38.694 1.00 16.77 ? 61 ARG A CG 1 -ATOM 449 C CD . ARG A 1 103 ? 22.136 41.625 39.368 1.00 13.94 ? 61 ARG A CD 1 -ATOM 450 N NE . ARG A 1 103 ? 22.208 40.407 40.167 1.00 14.74 ? 61 ARG A NE 1 -ATOM 451 C CZ . ARG A 1 103 ? 22.611 40.411 41.438 1.00 17.60 ? 61 ARG A CZ 1 -ATOM 452 N NH1 . ARG A 1 103 ? 23.001 41.540 42.017 1.00 16.75 ? 61 ARG A NH1 1 -ATOM 453 N NH2 . ARG A 1 103 ? 22.629 39.286 42.134 1.00 17.01 ? 61 ARG A NH2 1 -ATOM 454 N N . ARG A 1 104 ? 26.921 42.065 37.326 1.00 16.20 ? 62 ARG A N 1 -ATOM 455 C CA . ARG A 1 104 ? 28.247 41.614 37.738 1.00 15.28 ? 62 ARG A CA 1 -ATOM 456 C C . ARG A 1 104 ? 28.248 40.485 38.756 1.00 16.00 ? 62 ARG A C 1 -ATOM 457 O O . ARG A 1 104 ? 28.920 39.468 38.555 1.00 13.87 ? 62 ARG A O 1 -ATOM 458 C CB . ARG A 1 104 ? 29.046 42.808 38.287 1.00 17.98 ? 62 ARG A CB 1 -ATOM 459 C CG . ARG A 1 104 ? 30.511 42.438 38.502 1.00 22.85 ? 62 ARG A CG 1 -ATOM 460 C CD . ARG A 1 104 ? 31.280 43.658 39.001 1.00 25.76 ? 62 ARG A CD 1 -ATOM 461 N NE . ARG A 1 104 ? 31.794 44.445 37.888 1.00 29.87 ? 62 ARG A NE 1 -ATOM 462 C CZ . ARG A 1 104 ? 32.831 44.111 37.131 1.00 32.44 ? 62 ARG A CZ 1 -ATOM 463 N NH1 . ARG A 1 104 ? 33.506 42.988 37.344 1.00 36.24 ? 62 ARG A NH1 1 -ATOM 464 N NH2 . ARG A 1 104 ? 33.196 44.916 36.143 1.00 36.30 ? 62 ARG A NH2 1 -ATOM 465 N N . GLU A 1 105 ? 27.486 40.601 39.838 1.00 15.50 ? 63 GLU A N 1 -ATOM 466 C CA . GLU A 1 105 ? 27.399 39.550 40.846 1.00 20.07 ? 63 GLU A CA 1 -ATOM 467 C C . GLU A 1 105 ? 26.946 38.219 40.260 1.00 20.00 ? 63 GLU A C 1 -ATOM 468 O O . GLU A 1 105 ? 27.466 37.164 40.643 1.00 20.67 ? 63 GLU A O 1 -ATOM 469 C CB . GLU A 1 105 ? 26.458 39.935 41.988 1.00 27.15 ? 63 GLU A CB 1 -ATOM 470 C CG . GLU A 1 105 ? 26.974 41.011 42.916 1.00 37.28 ? 63 GLU A CG 1 -ATOM 471 C CD . GLU A 1 105 ? 26.992 42.405 42.334 1.00 43.27 ? 63 GLU A CD 1 -ATOM 472 O OE1 . GLU A 1 105 ? 26.594 42.610 41.166 1.00 43.59 ? 63 GLU A OE1 1 -ATOM 473 O OE2 . GLU A 1 105 ? 27.417 43.333 43.064 1.00 48.43 ? 63 GLU A OE2 1 -ATOM 474 N N . PHE A 1 106 ? 25.970 38.256 39.350 1.00 17.62 ? 64 PHE A N 1 -ATOM 475 C CA . PHE A 1 106 ? 25.471 37.037 38.724 1.00 16.81 ? 64 PHE A CA 1 -ATOM 476 C C . PHE A 1 106 ? 26.523 36.417 37.807 1.00 17.31 ? 64 PHE A C 1 -ATOM 477 O O . PHE A 1 106 ? 26.713 35.200 37.768 1.00 16.60 ? 64 PHE A O 1 -ATOM 478 C CB . PHE A 1 106 ? 24.197 37.322 37.922 1.00 16.44 ? 64 PHE A CB 1 -ATOM 479 C CG . PHE A 1 106 ? 23.567 36.073 37.363 1.00 15.07 ? 64 PHE A CG 1 -ATOM 480 C CD1 . PHE A 1 106 ? 22.730 35.302 38.150 1.00 14.64 ? 64 PHE A CD1 1 -ATOM 481 C CD2 . PHE A 1 106 ? 23.819 35.687 36.057 1.00 14.81 ? 64 PHE A CD2 1 -ATOM 482 C CE1 . PHE A 1 106 ? 22.150 34.154 37.640 1.00 16.38 ? 64 PHE A CE1 1 -ATOM 483 C CE2 . PHE A 1 106 ? 23.239 34.536 35.547 1.00 14.24 ? 64 PHE A CE2 1 -ATOM 484 C CZ . PHE A 1 106 ? 22.408 33.770 36.340 1.00 16.84 ? 64 PHE A CZ 1 -ATOM 485 N N . LEU A 1 107 ? 27.223 37.267 37.066 1.00 16.42 ? 65 LEU A N 1 -ATOM 486 C CA . LEU A 1 107 ? 28.289 36.832 36.172 1.00 21.92 ? 65 LEU A CA 1 -ATOM 487 C C . LEU A 1 107 ? 29.373 36.086 36.958 1.00 22.81 ? 65 LEU A C 1 -ATOM 488 O O . LEU A 1 107 ? 29.857 35.042 36.534 1.00 24.85 ? 65 LEU A O 1 -ATOM 489 C CB . LEU A 1 107 ? 28.929 38.039 35.499 1.00 22.22 ? 65 LEU A CB 1 -ATOM 490 C CG . LEU A 1 107 ? 29.186 38.101 34.005 1.00 29.57 ? 65 LEU A CG 1 -ATOM 491 C CD1 . LEU A 1 107 ? 30.345 39.053 33.709 1.00 28.92 ? 65 LEU A CD1 1 -ATOM 492 C CD2 . LEU A 1 107 ? 29.468 36.740 33.385 1.00 29.69 ? 65 LEU A CD2 1 -ATOM 493 N N . GLU A 1 108 ? 29.752 36.642 38.100 1.00 23.22 ? 66 GLU A N 1 -ATOM 494 C CA . GLU A 1 108 ? 30.791 36.085 38.939 1.00 25.21 ? 66 GLU A CA 1 -ATOM 495 C C . GLU A 1 108 ? 30.377 34.926 39.830 1.00 26.06 ? 66 GLU A C 1 -ATOM 496 O O . GLU A 1 108 ? 31.222 34.042 40.031 1.00 22.57 ? 66 GLU A O 1 -ATOM 497 C CB . GLU A 1 108 ? 31.351 37.203 39.841 1.00 28.99 ? 66 GLU A CB 1 -ATOM 498 C CG . GLU A 1 108 ? 31.917 38.385 39.073 1.00 33.48 ? 66 GLU A CG 1 -ATOM 499 C CD . GLU A 1 108 ? 32.412 39.510 39.959 1.00 37.15 ? 66 GLU A CD 1 -ATOM 500 O OE1 . GLU A 1 108 ? 32.137 39.500 41.179 1.00 38.12 ? 66 GLU A OE1 1 -ATOM 501 O OE2 . GLU A 1 108 ? 33.083 40.428 39.428 1.00 37.62 ? 66 GLU A OE2 1 -ATOM 502 N N . LYS A 1 109 ? 29.174 34.931 40.405 1.00 23.22 ? 67 LYS A N 1 -ATOM 503 C CA . LYS A 1 109 ? 28.783 33.885 41.346 1.00 24.55 ? 67 LYS A CA 1 -ATOM 504 C C . LYS A 1 109 ? 27.578 33.035 40.995 1.00 23.33 ? 67 LYS A C 1 -ATOM 505 O O . LYS A 1 109 ? 27.286 32.069 41.724 1.00 21.04 ? 67 LYS A O 1 -ATOM 506 C CB . LYS A 1 109 ? 28.550 34.546 42.724 1.00 27.79 ? 67 LYS A CB 1 -ATOM 507 C CG . LYS A 1 109 ? 29.843 34.748 43.502 1.00 33.62 ? 67 LYS A CG 1 -ATOM 508 C CD . LYS A 1 109 ? 29.863 36.072 44.244 1.00 37.05 ? 67 LYS A CD 1 -ATOM 509 C CE . LYS A 1 109 ? 31.217 36.322 44.892 1.00 39.20 ? 67 LYS A CE 1 -ATOM 510 N NZ . LYS A 1 109 ? 31.146 37.372 45.947 1.00 40.84 ? 67 LYS A NZ 1 -ATOM 511 N N . GLY A 1 110 ? 26.862 33.322 39.913 1.00 20.74 ? 68 GLY A N 1 -ATOM 512 C CA . GLY A 1 110 ? 25.709 32.510 39.529 1.00 19.99 ? 68 GLY A CA 1 -ATOM 513 C C . GLY A 1 110 ? 24.660 32.420 40.627 1.00 19.38 ? 68 GLY A C 1 -ATOM 514 O O . GLY A 1 110 ? 24.232 33.423 41.202 1.00 17.17 ? 68 GLY A O 1 -ATOM 515 N N . VAL A 1 111 ? 24.271 31.202 41.006 1.00 18.24 ? 69 VAL A N 1 -ATOM 516 C CA . VAL A 1 111 ? 23.254 30.976 42.022 1.00 20.24 ? 69 VAL A CA 1 -ATOM 517 C C . VAL A 1 111 ? 23.690 31.409 43.412 1.00 18.48 ? 69 VAL A C 1 -ATOM 518 O O . VAL A 1 111 ? 22.856 31.652 44.285 1.00 18.09 ? 69 VAL A O 1 -ATOM 519 C CB . VAL A 1 111 ? 22.801 29.502 42.090 1.00 23.84 ? 69 VAL A CB 1 -ATOM 520 C CG1 . VAL A 1 111 ? 22.139 29.063 40.798 1.00 25.96 ? 69 VAL A CG1 1 -ATOM 521 C CG2 . VAL A 1 111 ? 23.991 28.610 42.423 1.00 24.74 ? 69 VAL A CG2 1 -ATOM 522 N N . ASN A 1 112 ? 24.989 31.562 43.642 1.00 20.02 ? 70 ASN A N 1 -ATOM 523 C CA . ASN A 1 112 ? 25.535 32.014 44.906 1.00 20.75 ? 70 ASN A CA 1 -ATOM 524 C C . ASN A 1 112 ? 25.663 33.520 45.019 1.00 20.90 ? 70 ASN A C 1 -ATOM 525 O O . ASN A 1 112 ? 26.228 34.021 45.995 1.00 22.53 ? 70 ASN A O 1 -ATOM 526 C CB . ASN A 1 112 ? 26.925 31.364 45.102 1.00 24.63 ? 70 ASN A CB 1 -ATOM 527 C CG . ASN A 1 112 ? 26.744 29.864 45.284 1.00 27.14 ? 70 ASN A CG 1 -ATOM 528 O OD1 . ASN A 1 112 ? 25.981 29.443 46.156 1.00 29.20 ? 70 ASN A OD1 1 -ATOM 529 N ND2 . ASN A 1 112 ? 27.408 29.079 44.456 1.00 29.59 ? 70 ASN A ND2 1 -ATOM 530 N N . ALA A 1 113 ? 25.180 34.266 44.032 1.00 17.07 ? 71 ALA A N 1 -ATOM 531 C CA . ALA A 1 113 ? 25.262 35.719 44.040 1.00 17.88 ? 71 ALA A CA 1 -ATOM 532 C C . ALA A 1 113 ? 24.475 36.334 45.192 1.00 18.73 ? 71 ALA A C 1 -ATOM 533 O O . ALA A 1 113 ? 23.511 35.759 45.685 1.00 19.22 ? 71 ALA A O 1 -ATOM 534 C CB . ALA A 1 113 ? 24.718 36.270 42.723 1.00 16.09 ? 71 ALA A CB 1 -ATOM 535 N N . ASP A 1 114 ? 24.914 37.514 45.622 1.00 18.09 ? 72 ASP A N 1 -ATOM 536 C CA . ASP A 1 114 ? 24.193 38.271 46.646 1.00 21.25 ? 72 ASP A CA 1 -ATOM 537 C C . ASP A 1 114 ? 22.992 38.861 45.900 1.00 19.97 ? 72 ASP A C 1 -ATOM 538 O O . ASP A 1 114 ? 23.206 39.652 44.979 1.00 20.34 ? 72 ASP A O 1 -ATOM 539 C CB . ASP A 1 114 ? 25.057 39.371 47.238 1.00 21.84 ? 72 ASP A CB 1 -ATOM 540 C CG . ASP A 1 114 ? 24.342 40.316 48.175 1.00 25.58 ? 72 ASP A CG 1 -ATOM 541 O OD1 . ASP A 1 114 ? 23.120 40.195 48.403 1.00 21.16 ? 72 ASP A OD1 1 -ATOM 542 O OD2 . ASP A 1 114 ? 25.032 41.222 48.704 1.00 29.72 ? 72 ASP A OD2 1 -ATOM 543 N N . ARG A 1 115 ? 21.786 38.426 46.229 1.00 20.89 ? 73 ARG A N 1 -ATOM 544 C CA . ARG A 1 115 ? 20.616 38.870 45.470 1.00 17.68 ? 73 ARG A CA 1 -ATOM 545 C C . ARG A 1 115 ? 19.982 40.148 45.960 1.00 18.98 ? 73 ARG A C 1 -ATOM 546 O O . ARG A 1 115 ? 19.134 40.705 45.255 1.00 18.01 ? 73 ARG A O 1 -ATOM 547 C CB . ARG A 1 115 ? 19.585 37.731 45.435 1.00 18.62 ? 73 ARG A CB 1 -ATOM 548 C CG . ARG A 1 115 ? 20.098 36.543 44.630 1.00 18.29 ? 73 ARG A CG 1 -ATOM 549 C CD . ARG A 1 115 ? 19.123 35.382 44.706 1.00 17.11 ? 73 ARG A CD 1 -ATOM 550 N NE . ARG A 1 115 ? 19.771 34.118 44.396 1.00 18.27 ? 73 ARG A NE 1 -ATOM 551 C CZ . ARG A 1 115 ? 19.308 32.929 44.766 1.00 16.43 ? 73 ARG A CZ 1 -ATOM 552 N NH1 . ARG A 1 115 ? 18.180 32.847 45.466 1.00 14.63 ? 73 ARG A NH1 1 -ATOM 553 N NH2 . ARG A 1 115 ? 19.998 31.842 44.428 1.00 14.94 ? 73 ARG A NH2 1 -ATOM 554 N N . SER A 1 116 ? 20.446 40.701 47.075 1.00 15.89 ? 74 SER A N 1 -ATOM 555 C CA . SER A 1 116 ? 19.917 41.949 47.599 1.00 16.46 ? 74 SER A CA 1 -ATOM 556 C C . SER A 1 116 ? 20.384 43.162 46.811 1.00 14.37 ? 74 SER A C 1 -ATOM 557 O O . SER A 1 116 ? 19.794 44.232 46.952 1.00 17.07 ? 74 SER A O 1 -ATOM 558 C CB . SER A 1 116 ? 20.323 42.096 49.074 1.00 17.16 ? 74 SER A CB 1 -ATOM 559 O OG . SER A 1 116 ? 21.708 42.418 49.131 1.00 21.40 ? 74 SER A OG 1 -ATOM 560 N N . THR A 1 117 ? 21.429 43.023 45.984 1.00 13.43 ? 75 THR A N 1 -ATOM 561 C CA . THR A 1 117 ? 21.919 44.139 45.201 1.00 13.91 ? 75 THR A CA 1 -ATOM 562 C C . THR A 1 117 ? 21.259 44.233 43.828 1.00 15.78 ? 75 THR A C 1 -ATOM 563 O O . THR A 1 117 ? 21.662 45.120 43.072 1.00 13.48 ? 75 THR A O 1 -ATOM 564 C CB . THR A 1 117 ? 23.451 44.108 45.025 1.00 13.62 ? 75 THR A CB 1 -ATOM 565 O OG1 . THR A 1 117 ? 23.825 42.813 44.540 1.00 13.45 ? 75 THR A OG1 1 -ATOM 566 C CG2 . THR A 1 117 ? 24.114 44.402 46.367 1.00 15.67 ? 75 THR A CG2 1 -ATOM 567 N N . ARG A 1 118 ? 20.295 43.366 43.489 1.00 13.53 ? 76 ARG A N 1 -ATOM 568 C CA . ARG A 1 118 ? 19.657 43.563 42.175 1.00 10.93 ? 76 ARG A CA 1 -ATOM 569 C C . ARG A 1 118 ? 19.084 44.976 42.102 1.00 11.64 ? 76 ARG A C 1 -ATOM 570 O O . ARG A 1 118 ? 18.387 45.391 43.043 1.00 9.96 ? 76 ARG A O 1 -ATOM 571 C CB . ARG A 1 118 ? 18.522 42.555 42.006 1.00 10.56 ? 76 ARG A CB 1 -ATOM 572 C CG . ARG A 1 118 ? 19.004 41.131 41.766 1.00 8.30 ? 76 ARG A CG 1 -ATOM 573 C CD . ARG A 1 118 ? 17.851 40.245 41.342 1.00 11.48 ? 76 ARG A CD 1 -ATOM 574 N NE . ARG A 1 118 ? 18.212 38.906 40.900 1.00 10.54 ? 76 ARG A NE 1 -ATOM 575 C CZ . ARG A 1 118 ? 17.701 37.795 41.436 1.00 12.43 ? 76 ARG A CZ 1 -ATOM 576 N NH1 . ARG A 1 118 ? 16.863 37.872 42.464 1.00 11.40 ? 76 ARG A NH1 1 -ATOM 577 N NH2 . ARG A 1 118 ? 18.034 36.599 40.971 1.00 13.77 ? 76 ARG A NH2 1 -ATOM 578 N N . GLY A 1 119 ? 19.287 45.686 40.998 1.00 11.10 ? 77 GLY A N 1 -ATOM 579 C CA . GLY A 1 119 ? 18.744 47.021 40.839 1.00 12.52 ? 77 GLY A CA 1 -ATOM 580 C C . GLY A 1 119 ? 19.720 48.156 41.086 1.00 15.66 ? 77 GLY A C 1 -ATOM 581 O O . GLY A 1 119 ? 19.413 49.307 40.765 1.00 13.99 ? 77 GLY A O 1 -ATOM 582 N N . ASN A 1 120 ? 20.906 47.859 41.609 1.00 14.59 ? 78 ASN A N 1 -ATOM 583 C CA . ASN A 1 120 ? 21.911 48.889 41.863 1.00 17.16 ? 78 ASN A CA 1 -ATOM 584 C C . ASN A 1 120 ? 22.637 49.345 40.605 1.00 17.49 ? 78 ASN A C 1 -ATOM 585 O O . ASN A 1 120 ? 23.429 50.291 40.688 1.00 17.24 ? 78 ASN A O 1 -ATOM 586 C CB . ASN A 1 120 ? 22.907 48.445 42.927 1.00 17.33 ? 78 ASN A CB 1 -ATOM 587 C CG . ASN A 1 120 ? 23.950 47.444 42.490 1.00 18.56 ? 78 ASN A CG 1 -ATOM 588 O OD1 . ASN A 1 120 ? 23.953 46.918 41.383 1.00 17.24 ? 78 ASN A OD1 1 -ATOM 589 N ND2 . ASN A 1 120 ? 24.892 47.149 43.386 1.00 17.76 ? 78 ASN A ND2 1 -ATOM 590 N N . GLY A 1 121 ? 22.422 48.713 39.454 1.00 14.60 ? 79 GLY A N 1 -ATOM 591 C CA . GLY A 1 121 ? 23.024 49.162 38.215 1.00 14.24 ? 79 GLY A CA 1 -ATOM 592 C C . GLY A 1 121 ? 24.427 48.675 37.931 1.00 15.82 ? 79 GLY A C 1 -ATOM 593 O O . GLY A 1 121 ? 25.031 49.111 36.939 1.00 15.47 ? 79 GLY A O 1 -ATOM 594 N N . ASP A 1 122 ? 24.930 47.725 38.717 1.00 12.83 ? 80 ASP A N 1 -ATOM 595 C CA . ASP A 1 122 ? 26.281 47.213 38.479 1.00 15.71 ? 80 ASP A CA 1 -ATOM 596 C C . ASP A 1 122 ? 26.266 46.102 37.444 1.00 14.51 ? 80 ASP A C 1 -ATOM 597 O O . ASP A 1 122 ? 26.289 44.917 37.748 1.00 16.13 ? 80 ASP A O 1 -ATOM 598 C CB . ASP A 1 122 ? 26.881 46.804 39.818 1.00 18.10 ? 80 ASP A CB 1 -ATOM 599 C CG . ASP A 1 122 ? 28.332 46.367 39.739 1.00 21.71 ? 80 ASP A CG 1 -ATOM 600 O OD1 . ASP A 1 122 ? 28.996 46.554 38.705 1.00 21.50 ? 80 ASP A OD1 1 -ATOM 601 O OD2 . ASP A 1 122 ? 28.786 45.802 40.755 1.00 23.53 ? 80 ASP A OD2 1 -ATOM 602 N N . PHE A 1 123 ? 26.230 46.490 36.170 1.00 14.04 ? 81 PHE A N 1 -ATOM 603 C CA . PHE A 1 123 ? 26.170 45.572 35.049 1.00 14.66 ? 81 PHE A CA 1 -ATOM 604 C C . PHE A 1 123 ? 27.461 45.484 34.242 1.00 14.45 ? 81 PHE A C 1 -ATOM 605 O O . PHE A 1 123 ? 28.263 46.413 34.227 1.00 15.26 ? 81 PHE A O 1 -ATOM 606 C CB . PHE A 1 123 ? 25.086 46.071 34.070 1.00 12.69 ? 81 PHE A CB 1 -ATOM 607 C CG . PHE A 1 123 ? 23.679 45.840 34.541 1.00 12.79 ? 81 PHE A CG 1 -ATOM 608 C CD1 . PHE A 1 123 ? 23.135 44.570 34.494 1.00 12.25 ? 81 PHE A CD1 1 -ATOM 609 C CD2 . PHE A 1 123 ? 22.905 46.886 35.007 1.00 13.44 ? 81 PHE A CD2 1 -ATOM 610 C CE1 . PHE A 1 123 ? 21.833 44.341 34.914 1.00 12.86 ? 81 PHE A CE1 1 -ATOM 611 C CE2 . PHE A 1 123 ? 21.607 46.660 35.440 1.00 13.16 ? 81 PHE A CE2 1 -ATOM 612 C CZ . PHE A 1 123 ? 21.074 45.387 35.393 1.00 13.67 ? 81 PHE A CZ 1 -ATOM 613 N N . VAL A 1 124 ? 27.626 44.375 33.537 1.00 14.41 ? 82 VAL A N 1 -ATOM 614 C CA . VAL A 1 124 ? 28.784 44.170 32.670 1.00 15.72 ? 82 VAL A CA 1 -ATOM 615 C C . VAL A 1 124 ? 28.280 43.996 31.239 1.00 15.47 ? 82 VAL A C 1 -ATOM 616 O O . VAL A 1 124 ? 27.331 43.224 31.039 1.00 14.88 ? 82 VAL A O 1 -ATOM 617 C CB . VAL A 1 124 ? 29.559 42.901 33.076 1.00 17.22 ? 82 VAL A CB 1 -ATOM 618 C CG1 . VAL A 1 124 ? 30.619 42.561 32.039 1.00 19.24 ? 82 VAL A CG1 1 -ATOM 619 C CG2 . VAL A 1 124 ? 30.187 43.056 34.449 1.00 21.20 ? 82 VAL A CG2 1 -ATOM 620 N N . ARG A 1 125 ? 28.861 44.687 30.269 1.00 12.81 ? 83 ARG A N 1 -ATOM 621 C CA . ARG A 1 125 ? 28.433 44.506 28.880 1.00 13.09 ? 83 ARG A CA 1 -ATOM 622 C C . ARG A 1 125 ? 29.027 43.206 28.354 1.00 15.58 ? 83 ARG A C 1 -ATOM 623 O O . ARG A 1 125 ? 30.199 42.881 28.619 1.00 14.35 ? 83 ARG A O 1 -ATOM 624 C CB . ARG A 1 125 ? 28.881 45.682 28.006 1.00 13.82 ? 83 ARG A CB 1 -ATOM 625 C CG . ARG A 1 125 ? 28.598 45.458 26.518 1.00 15.21 ? 83 ARG A CG 1 -ATOM 626 C CD . ARG A 1 125 ? 29.068 46.643 25.698 1.00 17.49 ? 83 ARG A CD 1 -ATOM 627 N NE . ARG A 1 125 ? 28.952 46.417 24.256 1.00 17.50 ? 83 ARG A NE 1 -ATOM 628 C CZ . ARG A 1 125 ? 29.442 47.256 23.346 1.00 19.33 ? 83 ARG A CZ 1 -ATOM 629 N NH1 . ARG A 1 125 ? 30.083 48.364 23.690 1.00 19.79 ? 83 ARG A NH1 1 -ATOM 630 N NH2 . ARG A 1 125 ? 29.278 46.991 22.055 1.00 21.52 ? 83 ARG A NH2 1 -ATOM 631 N N . VAL A 1 126 ? 28.226 42.389 27.673 1.00 14.30 ? 84 VAL A N 1 -ATOM 632 C CA . VAL A 1 126 ? 28.735 41.137 27.126 1.00 12.79 ? 84 VAL A CA 1 -ATOM 633 C C . VAL A 1 126 ? 28.365 41.057 25.648 1.00 12.83 ? 84 VAL A C 1 -ATOM 634 O O . VAL A 1 126 ? 27.523 41.828 25.190 1.00 14.78 ? 84 VAL A O 1 -ATOM 635 C CB . VAL A 1 126 ? 28.235 39.867 27.837 1.00 14.55 ? 84 VAL A CB 1 -ATOM 636 C CG1 . VAL A 1 126 ? 28.696 39.803 29.286 1.00 16.61 ? 84 VAL A CG1 1 -ATOM 637 C CG2 . VAL A 1 126 ? 26.710 39.787 27.770 1.00 13.37 ? 84 VAL A CG2 1 -ATOM 638 N N . SER A 1 127 ? 28.955 40.100 24.934 1.00 11.70 ? 85 SER A N 1 -ATOM 639 C CA . SER A 1 127 ? 28.604 39.941 23.521 1.00 13.98 ? 85 SER A CA 1 -ATOM 640 C C . SER A 1 127 ? 27.283 39.181 23.421 1.00 13.50 ? 85 SER A C 1 -ATOM 641 O O . SER A 1 127 ? 26.900 38.491 24.372 1.00 12.82 ? 85 SER A O 1 -ATOM 642 C CB . SER A 1 127 ? 29.704 39.190 22.764 1.00 14.83 ? 85 SER A CB 1 -ATOM 643 O OG . SER A 1 127 ? 29.610 37.792 23.008 1.00 16.79 ? 85 SER A OG 1 -ATOM 644 N N . TRP A 1 128 ? 26.590 39.288 22.285 1.00 10.88 ? 86 TRP A N 1 -ATOM 645 C CA . TRP A 1 128 ? 25.330 38.561 22.137 1.00 11.58 ? 86 TRP A CA 1 -ATOM 646 C C . TRP A 1 128 ? 25.533 37.056 22.277 1.00 12.34 ? 86 TRP A C 1 -ATOM 647 O O . TRP A 1 128 ? 24.750 36.351 22.911 1.00 10.99 ? 86 TRP A O 1 -ATOM 648 C CB . TRP A 1 128 ? 24.701 38.830 20.765 1.00 11.31 ? 86 TRP A CB 1 -ATOM 649 C CG . TRP A 1 128 ? 23.691 39.939 20.778 1.00 12.39 ? 86 TRP A CG 1 -ATOM 650 C CD1 . TRP A 1 128 ? 23.812 41.173 20.207 1.00 14.55 ? 86 TRP A CD1 1 -ATOM 651 C CD2 . TRP A 1 128 ? 22.400 39.904 21.395 1.00 11.68 ? 86 TRP A CD2 1 -ATOM 652 N NE1 . TRP A 1 128 ? 22.666 41.913 20.425 1.00 12.28 ? 86 TRP A NE1 1 -ATOM 653 C CE2 . TRP A 1 128 ? 21.788 41.149 21.153 1.00 12.62 ? 86 TRP A CE2 1 -ATOM 654 C CE3 . TRP A 1 128 ? 21.703 38.930 22.117 1.00 11.99 ? 86 TRP A CE3 1 -ATOM 655 C CZ2 . TRP A 1 128 ? 20.505 41.452 21.614 1.00 12.47 ? 86 TRP A CZ2 1 -ATOM 656 C CZ3 . TRP A 1 128 ? 20.430 39.231 22.577 1.00 13.55 ? 86 TRP A CZ3 1 -ATOM 657 C CH2 . TRP A 1 128 ? 19.845 40.477 22.315 1.00 10.76 ? 86 TRP A CH2 1 -ATOM 658 N N . ASP A 1 129 ? 26.611 36.527 21.676 1.00 13.18 ? 87 ASP A N 1 -ATOM 659 C CA . ASP A 1 129 ? 26.845 35.081 21.753 1.00 16.62 ? 87 ASP A CA 1 -ATOM 660 C C . ASP A 1 129 ? 27.038 34.619 23.191 1.00 14.81 ? 87 ASP A C 1 -ATOM 661 O O . ASP A 1 129 ? 26.518 33.570 23.588 1.00 14.40 ? 87 ASP A O 1 -ATOM 662 C CB . ASP A 1 129 ? 28.001 34.667 20.847 1.00 21.66 ? 87 ASP A CB 1 -ATOM 663 C CG . ASP A 1 129 ? 27.603 34.590 19.381 1.00 27.72 ? 87 ASP A CG 1 -ATOM 664 O OD1 . ASP A 1 129 ? 26.448 34.249 19.051 1.00 29.12 ? 87 ASP A OD1 1 -ATOM 665 O OD2 . ASP A 1 129 ? 28.466 34.875 18.523 1.00 32.75 ? 87 ASP A OD2 1 -ATOM 666 N N . GLN A 1 130 ? 27.729 35.388 24.015 1.00 13.33 ? 88 GLN A N 1 -ATOM 667 C CA . GLN A 1 130 ? 27.910 35.077 25.421 1.00 15.02 ? 88 GLN A CA 1 -ATOM 668 C C . GLN A 1 130 ? 26.565 35.090 26.152 1.00 14.76 ? 88 GLN A C 1 -ATOM 669 O O . GLN A 1 130 ? 26.284 34.201 26.956 1.00 10.98 ? 88 GLN A O 1 -ATOM 670 C CB . GLN A 1 130 ? 28.859 36.088 26.078 1.00 20.73 ? 88 GLN A CB 1 -ATOM 671 C CG . GLN A 1 130 ? 30.297 35.921 25.626 1.00 28.90 ? 88 GLN A CG 1 -ATOM 672 C CD . GLN A 1 130 ? 31.221 37.096 25.824 1.00 34.48 ? 88 GLN A CD 1 -ATOM 673 O OE1 . GLN A 1 130 ? 30.878 38.205 26.242 1.00 34.71 ? 88 GLN A OE1 1 -ATOM 674 N NE2 . GLN A 1 130 ? 32.499 36.861 25.500 1.00 38.93 ? 88 GLN A NE2 1 -ATOM 675 N N . ALA A 1 131 ? 25.783 36.146 25.900 1.00 10.70 ? 89 ALA A N 1 -ATOM 676 C CA . ALA A 1 131 ? 24.488 36.272 26.572 1.00 11.64 ? 89 ALA A CA 1 -ATOM 677 C C . ALA A 1 131 ? 23.536 35.140 26.208 1.00 11.60 ? 89 ALA A C 1 -ATOM 678 O O . ALA A 1 131 ? 22.875 34.616 27.106 1.00 13.09 ? 89 ALA A O 1 -ATOM 679 C CB . ALA A 1 131 ? 23.833 37.608 26.232 1.00 10.52 ? 89 ALA A CB 1 -ATOM 680 N N . LEU A 1 132 ? 23.449 34.790 24.929 1.00 11.33 ? 90 LEU A N 1 -ATOM 681 C CA . LEU A 1 132 ? 22.547 33.734 24.484 1.00 14.72 ? 90 LEU A CA 1 -ATOM 682 C C . LEU A 1 132 ? 22.956 32.375 25.023 1.00 14.30 ? 90 LEU A C 1 -ATOM 683 O O . LEU A 1 132 ? 22.099 31.591 25.432 1.00 13.52 ? 90 LEU A O 1 -ATOM 684 C CB . LEU A 1 132 ? 22.460 33.722 22.949 1.00 15.21 ? 90 LEU A CB 1 -ATOM 685 C CG . LEU A 1 132 ? 21.774 34.954 22.344 1.00 14.42 ? 90 LEU A CG 1 -ATOM 686 C CD1 . LEU A 1 132 ? 22.083 35.091 20.859 1.00 15.18 ? 90 LEU A CD1 1 -ATOM 687 C CD2 . LEU A 1 132 ? 20.264 34.902 22.557 1.00 16.73 ? 90 LEU A CD2 1 -ATOM 688 N N . ASP A 1 133 ? 24.266 32.088 25.072 1.00 12.82 ? 91 ASP A N 1 -ATOM 689 C CA . ASP A 1 133 ? 24.731 30.833 25.652 1.00 12.78 ? 91 ASP A CA 1 -ATOM 690 C C . ASP A 1 133 ? 24.312 30.744 27.119 1.00 12.71 ? 91 ASP A C 1 -ATOM 691 O O . ASP A 1 133 ? 23.890 29.694 27.601 1.00 13.83 ? 91 ASP A O 1 -ATOM 692 C CB . ASP A 1 133 ? 26.262 30.737 25.592 1.00 15.09 ? 91 ASP A CB 1 -ATOM 693 C CG . ASP A 1 133 ? 26.799 30.456 24.204 1.00 17.03 ? 91 ASP A CG 1 -ATOM 694 O OD1 . ASP A 1 133 ? 26.003 30.132 23.302 1.00 17.71 ? 91 ASP A OD1 1 -ATOM 695 O OD2 . ASP A 1 133 ? 28.038 30.580 24.043 1.00 19.28 ? 91 ASP A OD2 1 -ATOM 696 N N . LEU A 1 134 ? 24.482 31.851 27.848 1.00 10.49 ? 92 LEU A N 1 -ATOM 697 C CA . LEU A 1 134 ? 24.113 31.883 29.265 1.00 12.72 ? 92 LEU A CA 1 -ATOM 698 C C . LEU A 1 134 ? 22.617 31.730 29.502 1.00 12.59 ? 92 LEU A C 1 -ATOM 699 O O . LEU A 1 134 ? 22.185 31.013 30.414 1.00 12.14 ? 92 LEU A O 1 -ATOM 700 C CB . LEU A 1 134 ? 24.618 33.183 29.904 1.00 14.62 ? 92 LEU A CB 1 -ATOM 701 C CG . LEU A 1 134 ? 24.412 33.342 31.409 1.00 18.13 ? 92 LEU A CG 1 -ATOM 702 C CD1 . LEU A 1 134 ? 25.153 32.261 32.183 1.00 19.14 ? 92 LEU A CD1 1 -ATOM 703 C CD2 . LEU A 1 134 ? 24.886 34.725 31.860 1.00 19.15 ? 92 LEU A CD2 1 -ATOM 704 N N . VAL A 1 135 ? 21.791 32.440 28.734 1.00 11.10 ? 93 VAL A N 1 -ATOM 705 C CA . VAL A 1 135 ? 20.340 32.305 28.907 1.00 10.97 ? 93 VAL A CA 1 -ATOM 706 C C . VAL A 1 135 ? 19.903 30.875 28.603 1.00 9.49 ? 93 VAL A C 1 -ATOM 707 O O . VAL A 1 135 ? 19.170 30.269 29.397 1.00 11.83 ? 93 VAL A O 1 -ATOM 708 C CB . VAL A 1 135 ? 19.581 33.293 28.002 1.00 9.50 ? 93 VAL A CB 1 -ATOM 709 C CG1 . VAL A 1 135 ? 18.094 32.987 28.015 1.00 10.64 ? 93 VAL A CG1 1 -ATOM 710 C CG2 . VAL A 1 135 ? 19.869 34.719 28.472 1.00 9.63 ? 93 VAL A CG2 1 -ATOM 711 N N . ALA A 1 136 ? 20.377 30.312 27.485 1.00 10.18 ? 94 ALA A N 1 -ATOM 712 C CA . ALA A 1 136 ? 20.027 28.928 27.167 1.00 11.82 ? 94 ALA A CA 1 -ATOM 713 C C . ALA A 1 136 ? 20.477 27.952 28.252 1.00 11.57 ? 94 ALA A C 1 -ATOM 714 O O . ALA A 1 136 ? 19.705 27.070 28.648 1.00 12.77 ? 94 ALA A O 1 -ATOM 715 C CB . ALA A 1 136 ? 20.606 28.526 25.813 1.00 11.15 ? 94 ALA A CB 1 -ATOM 716 N N . ALA A 1 137 ? 21.694 28.097 28.773 1.00 10.50 ? 95 ALA A N 1 -ATOM 717 C CA . ALA A 1 137 ? 22.182 27.195 29.817 1.00 13.10 ? 95 ALA A CA 1 -ATOM 718 C C . ALA A 1 137 ? 21.341 27.267 31.085 1.00 12.66 ? 95 ALA A C 1 -ATOM 719 O O . ALA A 1 137 ? 21.082 26.256 31.746 1.00 11.64 ? 95 ALA A O 1 -ATOM 720 C CB . ALA A 1 137 ? 23.636 27.518 30.151 1.00 13.81 ? 95 ALA A CB 1 -ATOM 721 N N . GLU A 1 138 ? 20.941 28.485 31.452 1.00 12.06 ? 96 GLU A N 1 -ATOM 722 C CA . GLU A 1 138 ? 20.135 28.691 32.648 1.00 10.91 ? 96 GLU A CA 1 -ATOM 723 C C . GLU A 1 138 ? 18.725 28.140 32.495 1.00 10.56 ? 96 GLU A C 1 -ATOM 724 O O . GLU A 1 138 ? 18.181 27.537 33.430 1.00 10.81 ? 96 GLU A O 1 -ATOM 725 C CB . GLU A 1 138 ? 20.095 30.180 33.006 1.00 12.40 ? 96 GLU A CB 1 -ATOM 726 C CG . GLU A 1 138 ? 21.313 30.648 33.794 1.00 13.97 ? 96 GLU A CG 1 -ATOM 727 C CD . GLU A 1 138 ? 21.422 29.936 35.132 1.00 17.03 ? 96 GLU A CD 1 -ATOM 728 O OE1 . GLU A 1 138 ? 20.665 30.230 36.075 1.00 16.55 ? 96 GLU A OE1 1 -ATOM 729 O OE2 . GLU A 1 138 ? 22.286 29.046 35.232 1.00 14.70 ? 96 GLU A OE2 1 -ATOM 730 N N . VAL A 1 139 ? 18.113 28.345 31.327 1.00 8.23 ? 97 VAL A N 1 -ATOM 731 C CA . VAL A 1 139 ? 16.783 27.774 31.091 1.00 10.88 ? 97 VAL A CA 1 -ATOM 732 C C . VAL A 1 139 ? 16.872 26.253 31.210 1.00 12.19 ? 97 VAL A C 1 -ATOM 733 O O . VAL A 1 139 ? 16.099 25.618 31.933 1.00 11.90 ? 97 VAL A O 1 -ATOM 734 C CB . VAL A 1 139 ? 16.213 28.200 29.736 1.00 10.99 ? 97 VAL A CB 1 -ATOM 735 C CG1 . VAL A 1 139 ? 15.013 27.351 29.343 1.00 12.85 ? 97 VAL A CG1 1 -ATOM 736 C CG2 . VAL A 1 139 ? 15.822 29.679 29.791 1.00 12.05 ? 97 VAL A CG2 1 -ATOM 737 N N . LYS A 1 140 ? 17.876 25.658 30.563 1.00 10.14 ? 98 LYS A N 1 -ATOM 738 C CA . LYS A 1 140 ? 18.031 24.196 30.632 1.00 10.93 ? 98 LYS A CA 1 -ATOM 739 C C . LYS A 1 140 ? 18.349 23.708 32.035 1.00 11.88 ? 98 LYS A C 1 -ATOM 740 O O . LYS A 1 140 ? 17.787 22.687 32.463 1.00 10.46 ? 98 LYS A O 1 -ATOM 741 C CB . LYS A 1 140 ? 19.072 23.719 29.621 1.00 13.05 ? 98 LYS A CB 1 -ATOM 742 C CG . LYS A 1 140 ? 19.020 22.230 29.318 1.00 15.13 ? 98 LYS A CG 1 -ATOM 743 C CD . LYS A 1 140 ? 17.710 21.810 28.663 1.00 16.37 ? 98 LYS A CD 1 -ATOM 744 C CE . LYS A 1 140 ? 17.764 20.350 28.238 1.00 16.65 ? 98 LYS A CE 1 -ATOM 745 N NZ . LYS A 1 140 ? 16.414 19.832 27.868 1.00 14.52 ? 98 LYS A NZ 1 -ATOM 746 N N . ARG A 1 141 ? 19.228 24.383 32.773 1.00 12.06 ? 99 ARG A N 1 -ATOM 747 C CA . ARG A 1 141 ? 19.569 23.978 34.131 1.00 13.61 ? 99 ARG A CA 1 -ATOM 748 C C . ARG A 1 141 ? 18.342 23.926 35.038 1.00 15.44 ? 99 ARG A C 1 -ATOM 749 O O . ARG A 1 141 ? 18.108 22.964 35.779 1.00 13.78 ? 99 ARG A O 1 -ATOM 750 C CB . ARG A 1 141 ? 20.608 24.944 34.726 1.00 12.79 ? 99 ARG A CB 1 -ATOM 751 C CG . ARG A 1 141 ? 20.997 24.618 36.169 1.00 12.30 ? 99 ARG A CG 1 -ATOM 752 C CD . ARG A 1 141 ? 21.979 25.661 36.706 1.00 13.60 ? 99 ARG A CD 1 -ATOM 753 N NE . ARG A 1 141 ? 21.337 26.952 36.973 1.00 14.57 ? 99 ARG A NE 1 -ATOM 754 C CZ . ARG A 1 141 ? 20.501 27.210 37.969 1.00 16.58 ? 99 ARG A CZ 1 -ATOM 755 N NH1 . ARG A 1 141 ? 20.192 26.266 38.853 1.00 17.51 ? 99 ARG A NH1 1 -ATOM 756 N NH2 . ARG A 1 141 ? 19.965 28.421 38.124 1.00 13.48 ? 99 ARG A NH2 1 -ATOM 757 N N . VAL A 1 142 ? 17.546 25.003 34.993 1.00 10.53 ? 100 VAL A N 1 -ATOM 758 C CA . VAL A 1 142 ? 16.341 25.089 35.806 1.00 11.34 ? 100 VAL A CA 1 -ATOM 759 C C . VAL A 1 142 ? 15.320 24.038 35.395 1.00 12.02 ? 100 VAL A C 1 -ATOM 760 O O . VAL A 1 142 ? 14.780 23.370 36.287 1.00 13.68 ? 100 VAL A O 1 -ATOM 761 C CB . VAL A 1 142 ? 15.732 26.502 35.807 1.00 11.00 ? 100 VAL A CB 1 -ATOM 762 C CG1 . VAL A 1 142 ? 14.398 26.493 36.552 1.00 12.07 ? 100 VAL A CG1 1 -ATOM 763 C CG2 . VAL A 1 142 ? 16.686 27.471 36.495 1.00 10.92 ? 100 VAL A CG2 1 -ATOM 764 N N . GLU A 1 143 ? 15.102 23.810 34.102 1.00 9.71 ? 101 GLU A N 1 -ATOM 765 C CA . GLU A 1 143 ? 14.177 22.775 33.682 1.00 12.38 ? 101 GLU A CA 1 -ATOM 766 C C . GLU A 1 143 ? 14.638 21.384 34.119 1.00 14.10 ? 101 GLU A C 1 -ATOM 767 O O . GLU A 1 143 ? 13.778 20.593 34.529 1.00 13.43 ? 101 GLU A O 1 -ATOM 768 C CB . GLU A 1 143 ? 13.980 22.788 32.160 1.00 12.97 ? 101 GLU A CB 1 -ATOM 769 C CG . GLU A 1 143 ? 13.332 24.089 31.684 1.00 13.56 ? 101 GLU A CG 1 -ATOM 770 C CD . GLU A 1 143 ? 11.823 24.011 31.629 1.00 15.76 ? 101 GLU A CD 1 -ATOM 771 O OE1 . GLU A 1 143 ? 11.249 23.003 32.082 1.00 13.50 ? 101 GLU A OE1 1 -ATOM 772 O OE2 . GLU A 1 143 ? 11.192 24.967 31.117 1.00 14.06 ? 101 GLU A OE2 1 -ATOM 773 N N . GLU A 1 144 ? 15.933 21.088 34.031 1.00 12.38 ? 102 GLU A N 1 -ATOM 774 C CA . GLU A 1 144 ? 16.407 19.762 34.426 1.00 12.80 ? 102 GLU A CA 1 -ATOM 775 C C . GLU A 1 144 ? 16.423 19.582 35.940 1.00 15.18 ? 102 GLU A C 1 -ATOM 776 O O . GLU A 1 144 ? 16.101 18.495 36.429 1.00 14.87 ? 102 GLU A O 1 -ATOM 777 C CB . GLU A 1 144 ? 17.825 19.483 33.905 1.00 14.04 ? 102 GLU A CB 1 -ATOM 778 C CG . GLU A 1 144 ? 17.921 19.318 32.398 1.00 16.22 ? 102 GLU A CG 1 -ATOM 779 C CD . GLU A 1 144 ? 17.238 18.084 31.853 1.00 19.23 ? 102 GLU A CD 1 -ATOM 780 O OE1 . GLU A 1 144 ? 16.748 17.228 32.622 1.00 17.91 ? 102 GLU A OE1 1 -ATOM 781 O OE2 . GLU A 1 144 ? 17.158 17.943 30.611 1.00 19.58 ? 102 GLU A OE2 1 -ATOM 782 N N . THR A 1 145 ? 16.834 20.618 36.668 1.00 13.07 ? 103 THR A N 1 -ATOM 783 C CA . THR A 1 145 ? 16.932 20.512 38.113 1.00 15.14 ? 103 THR A CA 1 -ATOM 784 C C . THR A 1 145 ? 15.591 20.545 38.825 1.00 16.66 ? 103 THR A C 1 -ATOM 785 O O . THR A 1 145 ? 15.343 19.760 39.746 1.00 16.51 ? 103 THR A O 1 -ATOM 786 C CB . THR A 1 145 ? 17.826 21.646 38.671 1.00 16.56 ? 103 THR A CB 1 -ATOM 787 O OG1 . THR A 1 145 ? 19.084 21.618 37.979 1.00 14.85 ? 103 THR A OG1 1 -ATOM 788 C CG2 . THR A 1 145 ? 18.050 21.476 40.163 1.00 18.53 ? 103 THR A CG2 1 -ATOM 789 N N . TYR A 1 146 ? 14.730 21.480 38.421 1.00 13.51 ? 104 TYR A N 1 -ATOM 790 C CA . TYR A 1 146 ? 13.459 21.678 39.106 1.00 13.30 ? 104 TYR A CA 1 -ATOM 791 C C . TYR A 1 146 ? 12.210 21.311 38.333 1.00 14.44 ? 104 TYR A C 1 -ATOM 792 O O . TYR A 1 146 ? 11.125 21.344 38.930 1.00 18.77 ? 104 TYR A O 1 -ATOM 793 C CB . TYR A 1 146 ? 13.377 23.164 39.497 1.00 14.81 ? 104 TYR A CB 1 -ATOM 794 C CG . TYR A 1 146 ? 14.530 23.641 40.354 1.00 14.70 ? 104 TYR A CG 1 -ATOM 795 C CD1 . TYR A 1 146 ? 14.657 23.176 41.658 1.00 14.17 ? 104 TYR A CD1 1 -ATOM 796 C CD2 . TYR A 1 146 ? 15.473 24.530 39.860 1.00 16.41 ? 104 TYR A CD2 1 -ATOM 797 C CE1 . TYR A 1 146 ? 15.709 23.601 42.457 1.00 15.87 ? 104 TYR A CE1 1 -ATOM 798 C CE2 . TYR A 1 146 ? 16.529 24.963 40.648 1.00 16.84 ? 104 TYR A CE2 1 -ATOM 799 C CZ . TYR A 1 146 ? 16.626 24.494 41.947 1.00 17.70 ? 104 TYR A CZ 1 -ATOM 800 O OH . TYR A 1 146 ? 17.663 24.921 42.748 1.00 19.30 ? 104 TYR A OH 1 -ATOM 801 N N . GLY A 1 147 ? 12.302 21.009 37.045 1.00 12.39 ? 105 GLY A N 1 -ATOM 802 C CA . GLY A 1 147 ? 11.094 20.673 36.282 1.00 9.76 ? 105 GLY A CA 1 -ATOM 803 C C . GLY A 1 147 ? 10.455 21.968 35.779 1.00 12.79 ? 105 GLY A C 1 -ATOM 804 O O . GLY A 1 147 ? 10.867 23.086 36.102 1.00 11.36 ? 105 GLY A O 1 -ATOM 805 N N . PRO A 1 148 ? 9.359 21.832 35.044 1.00 14.62 ? 106 PRO A N 1 -ATOM 806 C CA . PRO A 1 148 ? 8.625 22.971 34.501 1.00 14.53 ? 106 PRO A CA 1 -ATOM 807 C C . PRO A 1 148 ? 8.030 23.845 35.588 1.00 14.62 ? 106 PRO A C 1 -ATOM 808 O O . PRO A 1 148 ? 7.868 25.061 35.419 1.00 13.89 ? 106 PRO A O 1 -ATOM 809 C CB . PRO A 1 148 ? 7.541 22.346 33.636 1.00 16.12 ? 106 PRO A CB 1 -ATOM 810 C CG . PRO A 1 148 ? 7.396 20.948 34.139 1.00 16.72 ? 106 PRO A CG 1 -ATOM 811 C CD . PRO A 1 148 ? 8.778 20.543 34.597 1.00 15.48 ? 106 PRO A CD 1 -ATOM 812 N N . GLU A 1 149 ? 7.776 23.290 36.773 1.00 11.49 ? 107 GLU A N 1 -ATOM 813 C CA . GLU A 1 149 ? 7.280 24.054 37.910 1.00 16.75 ? 107 GLU A CA 1 -ATOM 814 C C . GLU A 1 149 ? 8.313 25.060 38.416 1.00 14.69 ? 107 GLU A C 1 -ATOM 815 O O . GLU A 1 149 ? 7.940 25.975 39.152 1.00 16.26 ? 107 GLU A O 1 -ATOM 816 C CB . GLU A 1 149 ? 6.849 23.143 39.059 1.00 21.09 ? 107 GLU A CB 1 -ATOM 817 C CG . GLU A 1 149 ? 6.001 21.957 38.647 1.00 26.20 ? 107 GLU A CG 1 -ATOM 818 C CD . GLU A 1 149 ? 6.775 20.754 38.143 1.00 27.54 ? 107 GLU A CD 1 -ATOM 819 O OE1 . GLU A 1 149 ? 8.024 20.741 38.099 1.00 26.22 ? 107 GLU A OE1 1 -ATOM 820 O OE2 . GLU A 1 149 ? 6.091 19.768 37.764 1.00 33.86 ? 107 GLU A OE2 1 -ATOM 821 N N . GLY A 1 150 ? 9.581 24.960 38.019 1.00 12.15 ? 108 GLY A N 1 -ATOM 822 C CA . GLY A 1 150 ? 10.602 25.895 38.424 1.00 8.43 ? 108 GLY A CA 1 -ATOM 823 C C . GLY A 1 150 ? 10.684 27.164 37.582 1.00 9.58 ? 108 GLY A C 1 -ATOM 824 O O . GLY A 1 150 ? 11.425 28.072 37.962 1.00 11.54 ? 108 GLY A O 1 -ATOM 825 N N . VAL A 1 151 ? 10.019 27.227 36.438 1.00 11.47 ? 109 VAL A N 1 -ATOM 826 C CA . VAL A 1 151 ? 10.098 28.400 35.572 1.00 9.60 ? 109 VAL A CA 1 -ATOM 827 C C . VAL A 1 151 ? 8.786 29.174 35.490 1.00 11.04 ? 109 VAL A C 1 -ATOM 828 O O . VAL A 1 151 ? 7.787 28.607 35.036 1.00 11.43 ? 109 VAL A O 1 -ATOM 829 C CB . VAL A 1 151 ? 10.444 27.978 34.126 1.00 14.39 ? 109 VAL A CB 1 -ATOM 830 C CG1 . VAL A 1 151 ? 10.615 29.238 33.275 1.00 17.41 ? 109 VAL A CG1 1 -ATOM 831 C CG2 . VAL A 1 151 ? 11.682 27.102 34.062 1.00 14.26 ? 109 VAL A CG2 1 -ATOM 832 N N . PHE A 1 152 ? 8.787 30.446 35.879 1.00 9.59 ? 110 PHE A N 1 -ATOM 833 C CA . PHE A 1 152 ? 7.585 31.259 35.756 1.00 10.21 ? 110 PHE A CA 1 -ATOM 834 C C . PHE A 1 152 ? 7.621 31.980 34.409 1.00 11.77 ? 110 PHE A C 1 -ATOM 835 O O . PHE A 1 152 ? 8.522 32.784 34.187 1.00 9.58 ? 110 PHE A O 1 -ATOM 836 C CB . PHE A 1 152 ? 7.454 32.293 36.886 1.00 9.79 ? 110 PHE A CB 1 -ATOM 837 C CG . PHE A 1 152 ? 6.129 33.011 36.805 1.00 10.75 ? 110 PHE A CG 1 -ATOM 838 C CD1 . PHE A 1 152 ? 4.945 32.321 36.987 1.00 13.17 ? 110 PHE A CD1 1 -ATOM 839 C CD2 . PHE A 1 152 ? 6.079 34.365 36.523 1.00 11.35 ? 110 PHE A CD2 1 -ATOM 840 C CE1 . PHE A 1 152 ? 3.725 32.969 36.903 1.00 13.46 ? 110 PHE A CE1 1 -ATOM 841 C CE2 . PHE A 1 152 ? 4.867 35.027 36.439 1.00 14.41 ? 110 PHE A CE2 1 -ATOM 842 C CZ . PHE A 1 152 ? 3.691 34.322 36.637 1.00 13.05 ? 110 PHE A CZ 1 -ATOM 843 N N . GLY A 1 153 ? 6.666 31.677 33.537 1.00 10.37 ? 111 GLY A N 1 -ATOM 844 C CA . GLY A 1 153 ? 6.602 32.288 32.224 1.00 9.65 ? 111 GLY A CA 1 -ATOM 845 C C . GLY A 1 153 ? 5.317 33.061 31.959 1.00 8.61 ? 111 GLY A C 1 -ATOM 846 O O . GLY A 1 153 ? 4.979 33.324 30.803 1.00 10.91 ? 111 GLY A O 1 -ATOM 847 N N . GLY A 1 154 ? 4.641 33.490 33.013 1.00 6.64 ? 112 GLY A N 1 -ATOM 848 C CA . GLY A 1 154 ? 3.410 34.280 32.881 1.00 9.24 ? 112 GLY A CA 1 -ATOM 849 C C . GLY A 1 154 ? 3.716 35.597 32.169 1.00 9.31 ? 112 GLY A C 1 -ATOM 850 O O . GLY A 1 154 ? 2.930 36.081 31.345 1.00 9.50 ? 112 GLY A O 1 -ATOM 851 N N . SER A 1 155 ? 4.817 36.231 32.552 1.00 8.51 ? 113 SER A N 1 -ATOM 852 C CA . SER A 1 155 ? 5.292 37.456 31.909 1.00 7.27 ? 113 SER A CA 1 -ATOM 853 C C . SER A 1 155 ? 4.180 38.427 31.550 1.00 9.80 ? 113 SER A C 1 -ATOM 854 O O . SER A 1 155 ? 4.083 38.901 30.410 1.00 7.77 ? 113 SER A O 1 -ATOM 855 C CB . SER A 1 155 ? 6.065 37.041 30.647 1.00 7.32 ? 113 SER A CB 1 -ATOM 856 O OG . SER A 1 155 ? 6.709 38.146 30.036 1.00 6.85 ? 113 SER A OG 1 -ATOM 857 N N . TYR A 1 156 ? 3.348 38.795 32.525 1.00 7.65 ? 114 TYR A N 1 -ATOM 858 C CA . TYR A 1 156 ? 2.260 39.730 32.254 1.00 9.29 ? 114 TYR A CA 1 -ATOM 859 C C . TYR A 1 156 ? 2.753 41.056 31.675 1.00 7.71 ? 114 TYR A C 1 -ATOM 860 O O . TYR A 1 156 ? 3.730 41.655 32.153 1.00 6.62 ? 114 TYR A O 1 -ATOM 861 C CB . TYR A 1 156 ? 1.529 40.028 33.578 1.00 10.80 ? 114 TYR A CB 1 -ATOM 862 C CG . TYR A 1 156 ? 0.259 40.829 33.344 1.00 11.28 ? 114 TYR A CG 1 -ATOM 863 C CD1 . TYR A 1 156 ? -0.894 40.188 32.950 1.00 9.97 ? 114 TYR A CD1 1 -ATOM 864 C CD2 . TYR A 1 156 ? 0.247 42.213 33.485 1.00 14.57 ? 114 TYR A CD2 1 -ATOM 865 C CE1 . TYR A 1 156 ? -2.059 40.902 32.712 1.00 15.31 ? 114 TYR A CE1 1 -ATOM 866 C CE2 . TYR A 1 156 ? -0.911 42.935 33.260 1.00 11.91 ? 114 TYR A CE2 1 -ATOM 867 C CZ . TYR A 1 156 ? -2.059 42.271 32.881 1.00 15.06 ? 114 TYR A CZ 1 -ATOM 868 O OH . TYR A 1 156 ? -3.221 42.979 32.658 1.00 16.86 ? 114 TYR A OH 1 -ATOM 869 N N . GLY A 1 157 ? 2.034 41.579 30.665 1.00 6.68 ? 115 GLY A N 1 -ATOM 870 C CA . GLY A 1 157 ? 2.460 42.896 30.168 1.00 9.18 ? 115 GLY A CA 1 -ATOM 871 C C . GLY A 1 157 ? 1.764 43.333 28.893 1.00 8.62 ? 115 GLY A C 1 -ATOM 872 O O . GLY A 1 157 ? 1.374 42.509 28.077 1.00 7.38 ? 115 GLY A O 1 -ATOM 873 N N . TRP A 1 158 ? 1.749 44.659 28.692 1.00 5.97 ? 116 TRP A N 1 -ATOM 874 C CA . TRP A 1 158 ? 1.109 45.273 27.551 1.00 6.56 ? 116 TRP A CA 1 -ATOM 875 C C . TRP A 1 158 ? 1.920 45.256 26.279 1.00 7.88 ? 116 TRP A C 1 -ATOM 876 O O . TRP A 1 158 ? 1.325 45.408 25.205 1.00 8.41 ? 116 TRP A O 1 -ATOM 877 C CB . TRP A 1 158 ? 0.679 46.734 27.868 1.00 7.10 ? 116 TRP A CB 1 -ATOM 878 C CG . TRP A 1 158 ? -0.804 46.681 28.173 1.00 7.45 ? 116 TRP A CG 1 -ATOM 879 C CD1 . TRP A 1 158 ? -1.367 46.073 29.251 1.00 10.17 ? 116 TRP A CD1 1 -ATOM 880 C CD2 . TRP A 1 158 ? -1.881 47.191 27.379 1.00 6.89 ? 116 TRP A CD2 1 -ATOM 881 N NE1 . TRP A 1 158 ? -2.734 46.162 29.182 1.00 12.84 ? 116 TRP A NE1 1 -ATOM 882 C CE2 . TRP A 1 158 ? -3.073 46.850 28.042 1.00 11.32 ? 116 TRP A CE2 1 -ATOM 883 C CE3 . TRP A 1 158 ? -1.946 47.876 26.169 1.00 5.37 ? 116 TRP A CE3 1 -ATOM 884 C CZ2 . TRP A 1 158 ? -4.331 47.170 27.540 1.00 10.16 ? 116 TRP A CZ2 1 -ATOM 885 C CZ3 . TRP A 1 158 ? -3.200 48.210 25.667 1.00 7.57 ? 116 TRP A CZ3 1 -ATOM 886 C CH2 . TRP A 1 158 ? -4.366 47.861 26.355 1.00 9.32 ? 116 TRP A CH2 1 -ATOM 887 N N . LYS A 1 159 ? 3.229 45.028 26.316 1.00 6.47 ? 117 LYS A N 1 -ATOM 888 C CA . LYS A 1 159 ? 4.053 44.867 25.130 1.00 5.85 ? 117 LYS A CA 1 -ATOM 889 C C . LYS A 1 159 ? 3.688 45.840 24.022 1.00 6.83 ? 117 LYS A C 1 -ATOM 890 O O . LYS A 1 159 ? 3.573 47.054 24.278 1.00 6.36 ? 117 LYS A O 1 -ATOM 891 C CB . LYS A 1 159 ? 3.998 43.387 24.690 1.00 6.88 ? 117 LYS A CB 1 -ATOM 892 C CG . LYS A 1 159 ? 2.692 42.791 24.204 1.00 6.86 ? 117 LYS A CG 1 -ATOM 893 C CD . LYS A 1 159 ? 2.717 41.355 23.730 1.00 10.22 ? 117 LYS A CD 1 -ATOM 894 C CE . LYS A 1 159 ? 1.335 40.732 23.616 1.00 10.06 ? 117 LYS A CE 1 -ATOM 895 N NZ . LYS A 1 159 ? 0.476 41.339 22.562 1.00 10.67 ? 117 LYS A NZ 1 -ATOM 896 N N . SER A 1 160 ? 3.651 45.399 22.778 1.00 5.80 ? 118 SER A N 1 -ATOM 897 C CA . SER A 1 160 ? 3.284 46.232 21.631 1.00 7.13 ? 118 SER A CA 1 -ATOM 898 C C . SER A 1 160 ? 2.356 45.368 20.768 1.00 7.24 ? 118 SER A C 1 -ATOM 899 O O . SER A 1 160 ? 2.465 44.139 20.859 1.00 7.55 ? 118 SER A O 1 -ATOM 900 C CB . SER A 1 160 ? 4.511 46.582 20.790 1.00 8.25 ? 118 SER A CB 1 -ATOM 901 O OG . SER A 1 160 ? 5.408 47.472 21.438 1.00 7.38 ? 118 SER A OG 1 -ATOM 902 N N . PRO A 1 161 ? 1.506 45.939 19.952 1.00 7.83 ? 119 PRO A N 1 -ATOM 903 C CA . PRO A 1 161 ? 0.641 45.155 19.068 1.00 5.42 ? 119 PRO A CA 1 -ATOM 904 C C . PRO A 1 161 ? 1.451 44.487 17.971 1.00 7.80 ? 119 PRO A C 1 -ATOM 905 O O . PRO A 1 161 ? 2.627 44.831 17.815 1.00 8.75 ? 119 PRO A O 1 -ATOM 906 C CB . PRO A 1 161 ? -0.327 46.162 18.460 1.00 8.64 ? 119 PRO A CB 1 -ATOM 907 C CG . PRO A 1 161 ? -0.013 47.470 19.079 1.00 11.95 ? 119 PRO A CG 1 -ATOM 908 C CD . PRO A 1 161 ? 1.324 47.391 19.751 1.00 8.04 ? 119 PRO A CD 1 -ATOM 909 N N . GLY A 1 162 ? 0.822 43.555 17.266 1.00 7.44 ? 120 GLY A N 1 -ATOM 910 C CA . GLY A 1 162 ? 1.529 42.838 16.188 1.00 8.35 ? 120 GLY A CA 1 -ATOM 911 C C . GLY A 1 162 ? 1.250 41.339 16.337 1.00 10.84 ? 120 GLY A C 1 -ATOM 912 O O . GLY A 1 162 ? 1.385 40.789 17.441 1.00 10.69 ? 120 GLY A O 1 -ATOM 913 N N . ARG A 1 163 ? 0.896 40.687 15.233 1.00 7.32 ? 121 ARG A N 1 -ATOM 914 C CA . ARG A 1 163 ? 0.596 39.269 15.242 1.00 7.67 ? 121 ARG A CA 1 -ATOM 915 C C . ARG A 1 163 ? 1.848 38.400 15.203 1.00 8.56 ? 121 ARG A C 1 -ATOM 916 O O . ARG A 1 163 ? 1.764 37.274 15.705 1.00 8.37 ? 121 ARG A O 1 -ATOM 917 C CB . ARG A 1 163 ? -0.337 38.856 14.095 1.00 7.71 ? 121 ARG A CB 1 -ATOM 918 C CG . ARG A 1 163 ? -1.730 39.478 14.195 1.00 9.57 ? 121 ARG A CG 1 -ATOM 919 C CD . ARG A 1 163 ? -2.462 38.942 15.434 1.00 16.12 ? 121 ARG A CD 1 -ATOM 920 N NE . ARG A 1 163 ? -3.632 39.770 15.700 1.00 22.97 ? 121 ARG A NE 1 -ATOM 921 C CZ . ARG A 1 163 ? -4.775 39.395 16.263 1.00 27.06 ? 121 ARG A CZ 1 -ATOM 922 N NH1 . ARG A 1 163 ? -4.967 38.147 16.683 1.00 26.79 ? 121 ARG A NH1 1 -ATOM 923 N NH2 . ARG A 1 163 ? -5.751 40.286 16.415 1.00 24.14 ? 121 ARG A NH2 1 -ATOM 924 N N . LEU A 1 164 ? 2.939 38.868 14.617 1.00 7.85 ? 122 LEU A N 1 -ATOM 925 C CA . LEU A 1 164 ? 4.161 38.074 14.614 1.00 9.61 ? 122 LEU A CA 1 -ATOM 926 C C . LEU A 1 164 ? 5.056 38.413 15.794 1.00 8.89 ? 122 LEU A C 1 -ATOM 927 O O . LEU A 1 164 ? 5.450 37.520 16.551 1.00 9.03 ? 122 LEU A O 1 -ATOM 928 C CB . LEU A 1 164 ? 4.985 38.266 13.328 1.00 11.53 ? 122 LEU A CB 1 -ATOM 929 C CG . LEU A 1 164 ? 6.414 37.707 13.406 1.00 13.00 ? 122 LEU A CG 1 -ATOM 930 C CD1 . LEU A 1 164 ? 6.376 36.179 13.507 1.00 12.51 ? 122 LEU A CD1 1 -ATOM 931 C CD2 . LEU A 1 164 ? 7.257 38.133 12.210 1.00 14.59 ? 122 LEU A CD2 1 -ATOM 932 N N . HIS A 1 165 ? 5.359 39.702 16.005 1.00 7.83 ? 123 HIS A N 1 -ATOM 933 C CA . HIS A 1 165 ? 6.272 40.090 17.078 1.00 8.13 ? 123 HIS A CA 1 -ATOM 934 C C . HIS A 1 165 ? 5.558 40.275 18.415 1.00 10.33 ? 123 HIS A C 1 -ATOM 935 O O . HIS A 1 165 ? 5.499 41.349 19.012 1.00 8.35 ? 123 HIS A O 1 -ATOM 936 C CB . HIS A 1 165 ? 7.004 41.386 16.674 1.00 7.17 ? 123 HIS A CB 1 -ATOM 937 C CG . HIS A 1 165 ? 7.882 41.157 15.481 1.00 10.08 ? 123 HIS A CG 1 -ATOM 938 N ND1 . HIS A 1 165 ? 9.034 40.413 15.569 1.00 10.26 ? 123 HIS A ND1 1 -ATOM 939 C CD2 . HIS A 1 165 ? 7.778 41.558 14.190 1.00 10.64 ? 123 HIS A CD2 1 -ATOM 940 C CE1 . HIS A 1 165 ? 9.625 40.378 14.384 1.00 12.45 ? 123 HIS A CE1 1 -ATOM 941 N NE2 . HIS A 1 165 ? 8.881 41.059 13.534 1.00 10.52 ? 123 HIS A NE2 1 -ATOM 942 N N . ASN A 1 166 ? 4.928 39.215 18.869 1.00 8.42 ? 124 ASN A N 1 -ATOM 943 C CA . ASN A 1 166 ? 4.167 39.123 20.112 1.00 8.42 ? 124 ASN A CA 1 -ATOM 944 C C . ASN A 1 166 ? 5.091 38.503 21.144 1.00 9.06 ? 124 ASN A C 1 -ATOM 945 O O . ASN A 1 166 ? 5.196 37.279 21.264 1.00 10.97 ? 124 ASN A O 1 -ATOM 946 C CB . ASN A 1 166 ? 2.934 38.275 19.802 1.00 8.94 ? 124 ASN A CB 1 -ATOM 947 C CG . ASN A 1 166 ? 2.042 38.120 21.028 1.00 10.76 ? 124 ASN A CG 1 -ATOM 948 O OD1 . ASN A 1 166 ? 2.556 38.218 22.137 1.00 10.52 ? 124 ASN A OD1 1 -ATOM 949 N ND2 . ASN A 1 166 ? 0.754 37.877 20.837 1.00 11.84 ? 124 ASN A ND2 1 -ATOM 950 N N . CYS A 1 167 ? 5.857 39.348 21.851 1.00 9.10 ? 125 CYS A N 1 -ATOM 951 C CA . CYS A 1 167 ? 6.927 38.845 22.689 1.00 7.73 ? 125 CYS A CA 1 -ATOM 952 C C . CYS A 1 167 ? 6.524 37.853 23.759 1.00 8.85 ? 125 CYS A C 1 -ATOM 953 O O . CYS A 1 167 ? 7.287 36.898 23.992 1.00 9.28 ? 125 CYS A O 1 -ATOM 954 C CB . CYS A 1 167 ? 7.771 40.007 23.251 1.00 8.12 ? 125 CYS A CB 1 -ATOM 955 S SG . CYS A 1 167 ? 6.877 41.120 24.367 1.00 8.73 ? 125 CYS A SG 1 -ATOM 956 N N . THR A 1 168 ? 5.365 38.010 24.393 1.00 7.30 ? 126 THR A N 1 -ATOM 957 C CA . THR A 1 168 ? 4.978 37.082 25.460 1.00 6.74 ? 126 THR A CA 1 -ATOM 958 C C . THR A 1 168 ? 4.557 35.729 24.922 1.00 7.91 ? 126 THR A C 1 -ATOM 959 O O . THR A 1 168 ? 4.875 34.695 25.528 1.00 9.21 ? 126 THR A O 1 -ATOM 960 C CB . THR A 1 168 ? 3.892 37.719 26.338 1.00 9.47 ? 126 THR A CB 1 -ATOM 961 O OG1 . THR A 1 168 ? 2.837 38.194 25.503 1.00 10.97 ? 126 THR A OG1 1 -ATOM 962 C CG2 . THR A 1 168 ? 4.472 38.904 27.105 1.00 10.36 ? 126 THR A CG2 1 -ATOM 963 N N . THR A 1 169 ? 3.917 35.727 23.748 1.00 7.36 ? 127 THR A N 1 -ATOM 964 C CA . THR A 1 169 ? 3.582 34.453 23.106 1.00 8.63 ? 127 THR A CA 1 -ATOM 965 C C . THR A 1 169 ? 4.857 33.792 22.605 1.00 8.96 ? 127 THR A C 1 -ATOM 966 O O . THR A 1 169 ? 5.019 32.576 22.753 1.00 6.77 ? 127 THR A O 1 -ATOM 967 C CB . THR A 1 169 ? 2.558 34.626 21.975 1.00 9.93 ? 127 THR A CB 1 -ATOM 968 O OG1 . THR A 1 169 ? 1.283 34.910 22.553 1.00 9.68 ? 127 THR A OG1 1 -ATOM 969 C CG2 . THR A 1 169 ? 2.417 33.353 21.143 1.00 8.52 ? 127 THR A CG2 1 -ATOM 970 N N . LEU A 1 170 ? 5.824 34.559 22.089 1.00 7.89 ? 128 LEU A N 1 -ATOM 971 C CA . LEU A 1 170 ? 7.096 33.965 21.641 1.00 7.06 ? 128 LEU A CA 1 -ATOM 972 C C . LEU A 1 170 ? 7.891 33.376 22.800 1.00 9.38 ? 128 LEU A C 1 -ATOM 973 O O . LEU A 1 170 ? 8.561 32.336 22.693 1.00 6.53 ? 128 LEU A O 1 -ATOM 974 C CB . LEU A 1 170 ? 7.917 35.039 20.916 1.00 8.69 ? 128 LEU A CB 1 -ATOM 975 C CG . LEU A 1 170 ? 7.278 35.526 19.608 1.00 9.05 ? 128 LEU A CG 1 -ATOM 976 C CD1 . LEU A 1 170 ? 7.976 36.789 19.117 1.00 7.07 ? 128 LEU A CD1 1 -ATOM 977 C CD2 . LEU A 1 170 ? 7.314 34.416 18.563 1.00 9.40 ? 128 LEU A CD2 1 -ATOM 978 N N . LEU A 1 171 ? 7.812 34.038 23.963 1.00 6.83 ? 129 LEU A N 1 -ATOM 979 C CA . LEU A 1 171 ? 8.470 33.516 25.160 1.00 7.78 ? 129 LEU A CA 1 -ATOM 980 C C . LEU A 1 171 ? 7.895 32.146 25.496 1.00 10.09 ? 129 LEU A C 1 -ATOM 981 O O . LEU A 1 171 ? 8.653 31.196 25.724 1.00 8.32 ? 129 LEU A O 1 -ATOM 982 C CB . LEU A 1 171 ? 8.281 34.432 26.381 1.00 9.51 ? 129 LEU A CB 1 -ATOM 983 C CG . LEU A 1 171 ? 8.673 33.824 27.731 1.00 9.23 ? 129 LEU A CG 1 -ATOM 984 C CD1 . LEU A 1 171 ? 10.179 33.619 27.843 1.00 9.82 ? 129 LEU A CD1 1 -ATOM 985 C CD2 . LEU A 1 171 ? 8.178 34.690 28.882 1.00 12.52 ? 129 LEU A CD2 1 -ATOM 986 N N . ARG A 1 172 ? 6.559 32.039 25.551 1.00 7.41 ? 130 ARG A N 1 -ATOM 987 C CA . ARG A 1 172 ? 5.928 30.762 25.883 1.00 8.38 ? 130 ARG A CA 1 -ATOM 988 C C . ARG A 1 172 ? 6.146 29.713 24.804 1.00 10.57 ? 130 ARG A C 1 -ATOM 989 O O . ARG A 1 172 ? 6.246 28.510 25.083 1.00 8.73 ? 130 ARG A O 1 -ATOM 990 C CB . ARG A 1 172 ? 4.442 30.969 26.227 1.00 7.45 ? 130 ARG A CB 1 -ATOM 991 C CG . ARG A 1 172 ? 4.306 31.649 27.599 1.00 10.30 ? 130 ARG A CG 1 -ATOM 992 C CD . ARG A 1 172 ? 2.877 31.830 28.039 1.00 13.11 ? 130 ARG A CD 1 -ATOM 993 N NE . ARG A 1 172 ? 2.228 32.972 27.413 1.00 15.46 ? 130 ARG A NE 1 -ATOM 994 C CZ . ARG A 1 172 ? 2.306 34.234 27.833 1.00 16.07 ? 130 ARG A CZ 1 -ATOM 995 N NH1 . ARG A 1 172 ? 3.020 34.563 28.898 1.00 16.62 ? 130 ARG A NH1 1 -ATOM 996 N NH2 . ARG A 1 172 ? 1.638 35.186 27.184 1.00 15.11 ? 130 ARG A NH2 1 -ATOM 997 N N . ARG A 1 173 ? 6.315 30.132 23.548 1.00 8.35 ? 131 ARG A N 1 -ATOM 998 C CA . ARG A 1 173 ? 6.652 29.192 22.478 1.00 11.08 ? 131 ARG A CA 1 -ATOM 999 C C . ARG A 1 173 ? 8.015 28.561 22.776 1.00 11.30 ? 131 ARG A C 1 -ATOM 1000 O O . ARG A 1 173 ? 8.178 27.341 22.691 1.00 11.26 ? 131 ARG A O 1 -ATOM 1001 C CB . ARG A 1 173 ? 6.652 29.915 21.136 1.00 9.27 ? 131 ARG A CB 1 -ATOM 1002 C CG . ARG A 1 173 ? 6.812 29.027 19.905 1.00 12.26 ? 131 ARG A CG 1 -ATOM 1003 C CD . ARG A 1 173 ? 6.732 29.903 18.651 1.00 14.41 ? 131 ARG A CD 1 -ATOM 1004 N NE . ARG A 1 173 ? 6.935 29.119 17.433 1.00 14.80 ? 131 ARG A NE 1 -ATOM 1005 C CZ . ARG A 1 173 ? 6.003 28.429 16.794 1.00 15.56 ? 131 ARG A CZ 1 -ATOM 1006 N NH1 . ARG A 1 173 ? 4.751 28.388 17.235 1.00 14.77 ? 131 ARG A NH1 1 -ATOM 1007 N NH2 . ARG A 1 173 ? 6.308 27.751 15.688 1.00 15.65 ? 131 ARG A NH2 1 -ATOM 1008 N N . MET A 1 174 ? 9.000 29.361 23.184 1.00 9.10 ? 132 MET A N 1 -ATOM 1009 C CA . MET A 1 174 ? 10.319 28.826 23.510 1.00 9.18 ? 132 MET A CA 1 -ATOM 1010 C C . MET A 1 174 ? 10.286 27.961 24.767 1.00 10.71 ? 132 MET A C 1 -ATOM 1011 O O . MET A 1 174 ? 10.846 26.857 24.786 1.00 10.21 ? 132 MET A O 1 -ATOM 1012 C CB . MET A 1 174 ? 11.329 29.961 23.686 1.00 10.39 ? 132 MET A CB 1 -ATOM 1013 C CG . MET A 1 174 ? 12.762 29.526 23.980 1.00 11.97 ? 132 MET A CG 1 -ATOM 1014 S SD . MET A 1 174 ? 13.059 29.279 25.747 1.00 12.96 ? 132 MET A SD 1 -ATOM 1015 C CE . MET A 1 174 ? 13.083 30.990 26.299 1.00 13.31 ? 132 MET A CE 1 -ATOM 1016 N N . LEU A 1 175 ? 9.612 28.437 25.824 1.00 8.81 ? 133 LEU A N 1 -ATOM 1017 C CA . LEU A 1 175 ? 9.572 27.678 27.075 1.00 9.48 ? 133 LEU A CA 1 -ATOM 1018 C C . LEU A 1 175 ? 8.848 26.352 26.889 1.00 11.84 ? 133 LEU A C 1 -ATOM 1019 O O . LEU A 1 175 ? 9.237 25.382 27.549 1.00 13.13 ? 133 LEU A O 1 -ATOM 1020 C CB . LEU A 1 175 ? 8.970 28.460 28.243 1.00 8.91 ? 133 LEU A CB 1 -ATOM 1021 C CG . LEU A 1 175 ? 9.773 29.680 28.713 1.00 13.40 ? 133 LEU A CG 1 -ATOM 1022 C CD1 . LEU A 1 175 ? 8.984 30.460 29.759 1.00 12.32 ? 133 LEU A CD1 1 -ATOM 1023 C CD2 . LEU A 1 175 ? 11.131 29.265 29.261 1.00 14.40 ? 133 LEU A CD2 1 -ATOM 1024 N N . THR A 1 176 ? 7.868 26.287 25.995 1.00 11.59 ? 134 THR A N 1 -ATOM 1025 C CA . THR A 1 176 ? 7.214 25.003 25.719 1.00 13.39 ? 134 THR A CA 1 -ATOM 1026 C C . THR A 1 176 ? 8.268 24.019 25.203 1.00 13.21 ? 134 THR A C 1 -ATOM 1027 O O . THR A 1 176 ? 8.323 22.859 25.627 1.00 13.40 ? 134 THR A O 1 -ATOM 1028 C CB . THR A 1 176 ? 6.096 25.199 24.690 1.00 12.24 ? 134 THR A CB 1 -ATOM 1029 O OG1 . THR A 1 176 ? 5.054 26.014 25.271 1.00 14.21 ? 134 THR A OG1 1 -ATOM 1030 C CG2 . THR A 1 176 ? 5.470 23.885 24.252 1.00 15.74 ? 134 THR A CG2 1 -ATOM 1031 N N . LEU A 1 177 ? 9.124 24.478 24.292 1.00 13.45 ? 135 LEU A N 1 -ATOM 1032 C CA . LEU A 1 177 ? 10.183 23.643 23.729 1.00 15.34 ? 135 LEU A CA 1 -ATOM 1033 C C . LEU A 1 177 ? 11.231 23.252 24.757 1.00 16.71 ? 135 LEU A C 1 -ATOM 1034 O O . LEU A 1 177 ? 11.807 22.155 24.689 1.00 15.62 ? 135 LEU A O 1 -ATOM 1035 C CB . LEU A 1 177 ? 10.824 24.339 22.519 1.00 13.84 ? 135 LEU A CB 1 -ATOM 1036 C CG . LEU A 1 177 ? 9.886 24.501 21.316 1.00 15.71 ? 135 LEU A CG 1 -ATOM 1037 C CD1 . LEU A 1 177 ? 10.491 25.424 20.270 1.00 18.09 ? 135 LEU A CD1 1 -ATOM 1038 C CD2 . LEU A 1 177 ? 9.552 23.140 20.711 1.00 16.96 ? 135 LEU A CD2 1 -ATOM 1039 N N . ALA A 1 178 ? 11.460 24.096 25.758 1.00 14.79 ? 136 ALA A N 1 -ATOM 1040 C CA . ALA A 1 178 ? 12.405 23.828 26.824 1.00 12.98 ? 136 ALA A CA 1 -ATOM 1041 C C . ALA A 1 178 ? 11.887 22.853 27.872 1.00 13.78 ? 136 ALA A C 1 -ATOM 1042 O O . ALA A 1 178 ? 12.704 22.432 28.712 1.00 13.41 ? 136 ALA A O 1 -ATOM 1043 C CB . ALA A 1 178 ? 12.794 25.140 27.523 1.00 14.33 ? 136 ALA A CB 1 -ATOM 1044 N N . GLY A 1 179 ? 10.591 22.546 27.903 1.00 11.60 ? 137 GLY A N 1 -ATOM 1045 C CA . GLY A 1 179 ? 10.080 21.577 28.879 1.00 11.15 ? 137 GLY A CA 1 -ATOM 1046 C C . GLY A 1 179 ? 8.834 22.028 29.621 1.00 15.13 ? 137 GLY A C 1 -ATOM 1047 O O . GLY A 1 179 ? 8.232 21.240 30.363 1.00 15.63 ? 137 GLY A O 1 -ATOM 1048 N N . GLY A 1 180 ? 8.461 23.310 29.488 1.00 11.52 ? 138 GLY A N 1 -ATOM 1049 C CA . GLY A 1 180 ? 7.255 23.767 30.190 1.00 11.27 ? 138 GLY A CA 1 -ATOM 1050 C C . GLY A 1 180 ? 7.526 24.939 31.118 1.00 10.89 ? 138 GLY A C 1 -ATOM 1051 O O . GLY A 1 180 ? 8.643 25.394 31.343 1.00 10.91 ? 138 GLY A O 1 -ATOM 1052 N N . TYR A 1 181 ? 6.429 25.452 31.700 1.00 9.66 ? 139 TYR A N 1 -ATOM 1053 C CA . TYR A 1 181 ? 6.499 26.637 32.537 1.00 10.65 ? 139 TYR A CA 1 -ATOM 1054 C C . TYR A 1 181 ? 5.195 26.819 33.310 1.00 10.77 ? 139 TYR A C 1 -ATOM 1055 O O . TYR A 1 181 ? 4.169 26.209 32.988 1.00 11.76 ? 139 TYR A O 1 -ATOM 1056 C CB . TYR A 1 181 ? 6.753 27.882 31.639 1.00 10.13 ? 139 TYR A CB 1 -ATOM 1057 C CG . TYR A 1 181 ? 5.661 28.039 30.599 1.00 11.53 ? 139 TYR A CG 1 -ATOM 1058 C CD1 . TYR A 1 181 ? 5.731 27.405 29.362 1.00 12.58 ? 139 TYR A CD1 1 -ATOM 1059 C CD2 . TYR A 1 181 ? 4.528 28.799 30.868 1.00 10.81 ? 139 TYR A CD2 1 -ATOM 1060 C CE1 . TYR A 1 181 ? 4.704 27.502 28.437 1.00 11.71 ? 139 TYR A CE1 1 -ATOM 1061 C CE2 . TYR A 1 181 ? 3.503 28.910 29.949 1.00 11.60 ? 139 TYR A CE2 1 -ATOM 1062 C CZ . TYR A 1 181 ? 3.597 28.264 28.739 1.00 13.64 ? 139 TYR A CZ 1 -ATOM 1063 O OH . TYR A 1 181 ? 2.581 28.378 27.816 1.00 15.62 ? 139 TYR A OH 1 -ATOM 1064 N N . VAL A 1 182 ? 5.268 27.662 34.330 1.00 10.24 ? 140 VAL A N 1 -ATOM 1065 C CA . VAL A 1 182 ? 4.096 28.054 35.105 1.00 9.56 ? 140 VAL A CA 1 -ATOM 1066 C C . VAL A 1 182 ? 3.531 29.329 34.463 1.00 10.81 ? 140 VAL A C 1 -ATOM 1067 O O . VAL A 1 182 ? 4.321 30.211 34.143 1.00 9.76 ? 140 VAL A O 1 -ATOM 1068 C CB . VAL A 1 182 ? 4.483 28.374 36.557 1.00 10.73 ? 140 VAL A CB 1 -ATOM 1069 C CG1 . VAL A 1 182 ? 3.280 28.898 37.335 1.00 10.14 ? 140 VAL A CG1 1 -ATOM 1070 C CG2 . VAL A 1 182 ? 5.085 27.131 37.207 1.00 11.13 ? 140 VAL A CG2 1 -ATOM 1071 N N . ASN A 1 183 ? 2.232 29.373 34.216 1.00 10.56 ? 141 ASN A N 1 -ATOM 1072 C CA . ASN A 1 183 ? 1.644 30.546 33.561 1.00 11.28 ? 141 ASN A CA 1 -ATOM 1073 C C . ASN A 1 183 ? 0.806 31.361 34.535 1.00 10.46 ? 141 ASN A C 1 -ATOM 1074 O O . ASN A 1 183 ? 0.578 30.918 35.661 1.00 10.95 ? 141 ASN A O 1 -ATOM 1075 C CB . ASN A 1 183 ? 0.751 30.060 32.424 1.00 10.36 ? 141 ASN A CB 1 -ATOM 1076 C CG . ASN A 1 183 ? 0.553 31.023 31.274 1.00 12.93 ? 141 ASN A CG 1 -ATOM 1077 O OD1 . ASN A 1 183 ? 0.921 32.189 31.343 1.00 11.77 ? 141 ASN A OD1 1 -ATOM 1078 N ND2 . ASN A 1 183 ? -0.037 30.517 30.192 1.00 16.37 ? 141 ASN A ND2 1 -ATOM 1079 N N . GLY A 1 184 ? 0.281 32.486 34.060 1.00 11.41 ? 142 GLY A N 1 -ATOM 1080 C CA . GLY A 1 184 ? -0.597 33.309 34.910 1.00 11.35 ? 142 GLY A CA 1 -ATOM 1081 C C . GLY A 1 184 ? -1.997 33.307 34.295 1.00 12.62 ? 142 GLY A C 1 -ATOM 1082 O O . GLY A 1 184 ? -2.132 33.137 33.080 1.00 15.34 ? 142 GLY A O 1 -ATOM 1083 N N . ALA A 1 185 ? -3.030 33.506 35.099 1.00 9.34 ? 143 ALA A N 1 -ATOM 1084 C CA . ALA A 1 185 ? -4.389 33.542 34.594 1.00 11.44 ? 143 ALA A CA 1 -ATOM 1085 C C . ALA A 1 185 ? -5.065 34.867 34.965 1.00 11.27 ? 143 ALA A C 1 -ATOM 1086 O O . ALA A 1 185 ? -4.793 35.425 36.035 1.00 12.08 ? 143 ALA A O 1 -ATOM 1087 C CB . ALA A 1 185 ? -5.199 32.397 35.191 1.00 14.44 ? 143 ALA A CB 1 -ATOM 1088 N N . GLY A 1 186 ? -5.952 35.316 34.092 1.00 8.83 ? 144 GLY A N 1 -ATOM 1089 C CA . GLY A 1 186 ? -6.661 36.575 34.371 1.00 9.31 ? 144 GLY A CA 1 -ATOM 1090 C C . GLY A 1 186 ? -5.734 37.748 34.076 1.00 11.55 ? 144 GLY A C 1 -ATOM 1091 O O . GLY A 1 186 ? -4.746 37.628 33.351 1.00 10.43 ? 144 GLY A O 1 -ATOM 1092 N N . ASP A 1 187 ? -6.078 38.924 34.605 1.00 8.50 ? 145 ASP A N 1 -ATOM 1093 C CA . ASP A 1 187 ? -5.279 40.119 34.346 1.00 7.60 ? 145 ASP A CA 1 -ATOM 1094 C C . ASP A 1 187 ? -5.437 41.129 35.476 1.00 8.13 ? 145 ASP A C 1 -ATOM 1095 O O . ASP A 1 187 ? -6.177 40.859 36.433 1.00 9.16 ? 145 ASP A O 1 -ATOM 1096 C CB . ASP A 1 187 ? -5.666 40.673 32.965 1.00 8.17 ? 145 ASP A CB 1 -ATOM 1097 C CG . ASP A 1 187 ? -7.123 41.082 32.878 1.00 9.46 ? 145 ASP A CG 1 -ATOM 1098 O OD1 . ASP A 1 187 ? -7.570 41.840 33.764 1.00 9.51 ? 145 ASP A OD1 1 -ATOM 1099 O OD2 . ASP A 1 187 ? -7.834 40.660 31.937 1.00 6.73 ? 145 ASP A OD2 1 -ATOM 1100 N N . TYR A 1 188 ? -4.693 42.235 35.440 1.00 7.44 ? 146 TYR A N 1 -ATOM 1101 C CA . TYR A 1 188 ? -4.746 43.252 36.473 1.00 5.74 ? 146 TYR A CA 1 -ATOM 1102 C C . TYR A 1 188 ? -5.891 44.252 36.279 1.00 5.88 ? 146 TYR A C 1 -ATOM 1103 O O . TYR A 1 188 ? -6.137 45.107 37.141 1.00 7.11 ? 146 TYR A O 1 -ATOM 1104 C CB . TYR A 1 188 ? -3.416 44.054 36.480 1.00 5.22 ? 146 TYR A CB 1 -ATOM 1105 C CG . TYR A 1 188 ? -2.319 43.348 37.249 1.00 7.68 ? 146 TYR A CG 1 -ATOM 1106 C CD1 . TYR A 1 188 ? -1.606 42.300 36.673 1.00 8.32 ? 146 TYR A CD1 1 -ATOM 1107 C CD2 . TYR A 1 188 ? -2.010 43.737 38.553 1.00 7.06 ? 146 TYR A CD2 1 -ATOM 1108 C CE1 . TYR A 1 188 ? -0.608 41.657 37.386 1.00 9.08 ? 146 TYR A CE1 1 -ATOM 1109 C CE2 . TYR A 1 188 ? -1.020 43.084 39.270 1.00 7.79 ? 146 TYR A CE2 1 -ATOM 1110 C CZ . TYR A 1 188 ? -0.329 42.047 38.683 1.00 7.88 ? 146 TYR A CZ 1 -ATOM 1111 O OH . TYR A 1 188 ? 0.662 41.389 39.379 1.00 7.69 ? 146 TYR A OH 1 -ATOM 1112 N N . SER A 1 189 ? -6.606 44.166 35.173 1.00 4.11 ? 147 SER A N 1 -ATOM 1113 C CA . SER A 1 189 ? -7.656 45.096 34.808 1.00 7.64 ? 147 SER A CA 1 -ATOM 1114 C C . SER A 1 189 ? -9.039 44.784 35.353 1.00 7.40 ? 147 SER A C 1 -ATOM 1115 O O . SER A 1 189 ? -9.760 45.685 35.789 1.00 8.68 ? 147 SER A O 1 -ATOM 1116 C CB . SER A 1 189 ? -7.865 45.106 33.276 1.00 8.66 ? 147 SER A CB 1 -ATOM 1117 O OG . SER A 1 189 ? -6.653 45.391 32.634 1.00 10.06 ? 147 SER A OG 1 -ATOM 1118 N N . THR A 1 190 ? -9.462 43.545 35.142 1.00 6.50 ? 148 THR A N 1 -ATOM 1119 C CA . THR A 1 190 ? -10.802 43.132 35.575 1.00 6.70 ? 148 THR A CA 1 -ATOM 1120 C C . THR A 1 190 ? -10.656 41.818 36.338 1.00 8.68 ? 148 THR A C 1 -ATOM 1121 O O . THR A 1 190 ? -11.506 40.938 36.221 1.00 6.89 ? 148 THR A O 1 -ATOM 1122 C CB . THR A 1 190 ? -11.740 42.895 34.377 1.00 10.07 ? 148 THR A CB 1 -ATOM 1123 O OG1 . THR A 1 190 ? -11.161 41.946 33.463 1.00 9.58 ? 148 THR A OG1 1 -ATOM 1124 C CG2 . THR A 1 190 ? -12.018 44.185 33.610 1.00 8.52 ? 148 THR A CG2 1 -ATOM 1125 N N . GLY A 1 191 ? -9.600 41.714 37.132 1.00 7.65 ? 149 GLY A N 1 -ATOM 1126 C CA . GLY A 1 191 ? -9.301 40.493 37.876 1.00 9.35 ? 149 GLY A CA 1 -ATOM 1127 C C . GLY A 1 191 ? -10.493 39.969 38.666 1.00 11.38 ? 149 GLY A C 1 -ATOM 1128 O O . GLY A 1 191 ? -10.692 38.749 38.711 1.00 9.17 ? 149 GLY A O 1 -ATOM 1129 N N . ALA A 1 192 ? -11.260 40.858 39.302 1.00 5.04 ? 150 ALA A N 1 -ATOM 1130 C CA . ALA A 1 192 ? -12.435 40.422 40.046 1.00 7.66 ? 150 ALA A CA 1 -ATOM 1131 C C . ALA A 1 192 ? -13.661 40.305 39.153 1.00 8.28 ? 150 ALA A C 1 -ATOM 1132 O O . ALA A 1 192 ? -14.360 39.284 39.174 1.00 8.81 ? 150 ALA A O 1 -ATOM 1133 C CB . ALA A 1 192 ? -12.717 41.406 41.180 1.00 7.36 ? 150 ALA A CB 1 -ATOM 1134 N N . ALA A 1 193 ? -13.950 41.330 38.346 1.00 7.80 ? 151 ALA A N 1 -ATOM 1135 C CA . ALA A 1 193 ? -15.151 41.308 37.526 1.00 5.73 ? 151 ALA A CA 1 -ATOM 1136 C C . ALA A 1 193 ? -15.190 40.161 36.529 1.00 8.89 ? 151 ALA A C 1 -ATOM 1137 O O . ALA A 1 193 ? -16.260 39.577 36.335 1.00 8.67 ? 151 ALA A O 1 -ATOM 1138 C CB . ALA A 1 193 ? -15.331 42.630 36.773 1.00 6.59 ? 151 ALA A CB 1 -ATOM 1139 N N . GLN A 1 194 ? -14.059 39.776 35.931 1.00 8.19 ? 152 GLN A N 1 -ATOM 1140 C CA . GLN A 1 194 ? -14.116 38.699 34.934 1.00 7.13 ? 152 GLN A CA 1 -ATOM 1141 C C . GLN A 1 194 ? -14.422 37.341 35.554 1.00 9.11 ? 152 GLN A C 1 -ATOM 1142 O O . GLN A 1 194 ? -14.814 36.461 34.784 1.00 8.22 ? 152 GLN A O 1 -ATOM 1143 C CB . GLN A 1 194 ? -12.832 38.642 34.103 1.00 8.98 ? 152 GLN A CB 1 -ATOM 1144 C CG . GLN A 1 194 ? -11.661 38.020 34.855 1.00 12.23 ? 152 GLN A CG 1 -ATOM 1145 C CD . GLN A 1 194 ? -10.371 38.118 34.062 1.00 15.39 ? 152 GLN A CD 1 -ATOM 1146 O OE1 . GLN A 1 194 ? -9.769 37.091 33.742 1.00 16.91 ? 152 GLN A OE1 1 -ATOM 1147 N NE2 . GLN A 1 194 ? -9.946 39.328 33.712 1.00 11.15 ? 152 GLN A NE2 1 -ATOM 1148 N N . VAL A 1 195 ? -14.250 37.179 36.859 1.00 8.63 ? 153 VAL A N 1 -ATOM 1149 C CA . VAL A 1 195 ? -14.562 35.918 37.528 1.00 7.78 ? 153 VAL A CA 1 -ATOM 1150 C C . VAL A 1 195 ? -15.971 35.929 38.099 1.00 10.22 ? 153 VAL A C 1 -ATOM 1151 O O . VAL A 1 195 ? -16.660 34.898 37.996 1.00 9.49 ? 153 VAL A O 1 -ATOM 1152 C CB . VAL A 1 195 ? -13.533 35.614 38.631 1.00 8.90 ? 153 VAL A CB 1 -ATOM 1153 C CG1 . VAL A 1 195 ? -13.849 34.284 39.311 1.00 10.15 ? 153 VAL A CG1 1 -ATOM 1154 C CG2 . VAL A 1 195 ? -12.125 35.591 38.025 1.00 11.81 ? 153 VAL A CG2 1 -ATOM 1155 N N . ILE A 1 196 ? -16.454 37.054 38.634 1.00 8.56 ? 154 ILE A N 1 -ATOM 1156 C CA . ILE A 1 196 ? -17.840 37.068 39.146 1.00 9.90 ? 154 ILE A CA 1 -ATOM 1157 C C . ILE A 1 196 ? -18.865 37.115 38.031 1.00 11.21 ? 154 ILE A C 1 -ATOM 1158 O O . ILE A 1 196 ? -19.941 36.489 38.132 1.00 9.81 ? 154 ILE A O 1 -ATOM 1159 C CB . ILE A 1 196 ? -18.060 38.216 40.151 1.00 10.34 ? 154 ILE A CB 1 -ATOM 1160 C CG1 . ILE A 1 196 ? -19.448 38.147 40.819 1.00 10.83 ? 154 ILE A CG1 1 -ATOM 1161 C CG2 . ILE A 1 196 ? -17.913 39.594 39.504 1.00 11.70 ? 154 ILE A CG2 1 -ATOM 1162 C CD1 . ILE A 1 196 ? -19.692 36.833 41.547 1.00 13.68 ? 154 ILE A CD1 1 -ATOM 1163 N N . MET A 1 197 ? -18.583 37.794 36.905 1.00 9.59 ? 155 MET A N 1 -ATOM 1164 C CA . MET A 1 197 ? -19.576 37.905 35.837 1.00 7.91 ? 155 MET A CA 1 -ATOM 1165 C C . MET A 1 197 ? -20.084 36.593 35.264 1.00 9.16 ? 155 MET A C 1 -ATOM 1166 O O . MET A 1 197 ? -21.304 36.468 35.099 1.00 8.32 ? 155 MET A O 1 -ATOM 1167 C CB . MET A 1 197 ? -19.182 38.882 34.729 1.00 11.00 ? 155 MET A CB 1 -ATOM 1168 C CG . MET A 1 197 ? -19.194 40.344 35.184 1.00 9.78 ? 155 MET A CG 1 -ATOM 1169 S SD . MET A 1 197 ? -20.883 40.958 35.423 1.00 14.71 ? 155 MET A SD 1 -ATOM 1170 C CE . MET A 1 197 ? -20.897 41.127 37.205 1.00 13.17 ? 155 MET A CE 1 -ATOM 1171 N N . PRO A 1 198 ? -19.273 35.585 34.999 1.00 9.15 ? 156 PRO A N 1 -ATOM 1172 C CA . PRO A 1 198 ? -19.767 34.296 34.517 1.00 11.58 ? 156 PRO A CA 1 -ATOM 1173 C C . PRO A 1 198 ? -20.765 33.656 35.473 1.00 12.30 ? 156 PRO A C 1 -ATOM 1174 O O . PRO A 1 198 ? -21.636 32.901 35.035 1.00 13.40 ? 156 PRO A O 1 -ATOM 1175 C CB . PRO A 1 198 ? -18.517 33.439 34.358 1.00 11.87 ? 156 PRO A CB 1 -ATOM 1176 C CG . PRO A 1 198 ? -17.424 34.440 34.113 1.00 11.08 ? 156 PRO A CG 1 -ATOM 1177 C CD . PRO A 1 198 ? -17.796 35.615 35.012 1.00 10.67 ? 156 PRO A CD 1 -ATOM 1178 N N . HIS A 1 199 ? -20.706 33.927 36.775 1.00 8.90 ? 157 HIS A N 1 -ATOM 1179 C CA . HIS A 1 199 ? -21.651 33.388 37.747 1.00 8.25 ? 157 HIS A CA 1 -ATOM 1180 C C . HIS A 1 199 ? -22.954 34.193 37.798 1.00 13.39 ? 157 HIS A C 1 -ATOM 1181 O O . HIS A 1 199 ? -23.962 33.731 38.346 1.00 14.73 ? 157 HIS A O 1 -ATOM 1182 C CB . HIS A 1 199 ? -21.025 33.434 39.146 1.00 9.33 ? 157 HIS A CB 1 -ATOM 1183 C CG . HIS A 1 199 ? -19.868 32.504 39.365 1.00 10.20 ? 157 HIS A CG 1 -ATOM 1184 N ND1 . HIS A 1 199 ? -20.043 31.145 39.512 1.00 10.29 ? 157 HIS A ND1 1 -ATOM 1185 C CD2 . HIS A 1 199 ? -18.541 32.726 39.484 1.00 10.51 ? 157 HIS A CD2 1 -ATOM 1186 C CE1 . HIS A 1 199 ? -18.871 30.558 39.697 1.00 12.93 ? 157 HIS A CE1 1 -ATOM 1187 N NE2 . HIS A 1 199 ? -17.936 31.499 39.687 1.00 12.95 ? 157 HIS A NE2 1 -ATOM 1188 N N . VAL A 1 200 ? -22.931 35.418 37.289 1.00 8.55 ? 158 VAL A N 1 -ATOM 1189 C CA . VAL A 1 200 ? -24.055 36.342 37.343 1.00 10.12 ? 158 VAL A CA 1 -ATOM 1190 C C . VAL A 1 200 ? -24.827 36.451 36.044 1.00 11.40 ? 158 VAL A C 1 -ATOM 1191 O O . VAL A 1 200 ? -26.052 36.282 36.019 1.00 11.60 ? 158 VAL A O 1 -ATOM 1192 C CB . VAL A 1 200 ? -23.564 37.754 37.754 1.00 9.80 ? 158 VAL A CB 1 -ATOM 1193 C CG1 . VAL A 1 200 ? -24.765 38.696 37.827 1.00 11.52 ? 158 VAL A CG1 1 -ATOM 1194 C CG2 . VAL A 1 200 ? -22.850 37.683 39.097 1.00 12.38 ? 158 VAL A CG2 1 -ATOM 1195 N N . VAL A 1 201 ? -24.126 36.730 34.944 1.00 8.96 ? 159 VAL A N 1 -ATOM 1196 C CA . VAL A 1 201 ? -24.733 36.818 33.628 1.00 10.34 ? 159 VAL A CA 1 -ATOM 1197 C C . VAL A 1 201 ? -24.285 35.706 32.682 1.00 11.46 ? 159 VAL A C 1 -ATOM 1198 O O . VAL A 1 201 ? -24.797 35.632 31.562 1.00 13.66 ? 159 VAL A O 1 -ATOM 1199 C CB . VAL A 1 201 ? -24.486 38.182 32.958 1.00 11.17 ? 159 VAL A CB 1 -ATOM 1200 C CG1 . VAL A 1 201 ? -25.130 39.279 33.813 1.00 10.07 ? 159 VAL A CG1 1 -ATOM 1201 C CG2 . VAL A 1 201 ? -22.989 38.426 32.816 1.00 10.75 ? 159 VAL A CG2 1 -ATOM 1202 N N . GLY A 1 202 ? -23.369 34.825 33.088 1.00 10.94 ? 160 GLY A N 1 -ATOM 1203 C CA . GLY A 1 202 ? -23.017 33.693 32.255 1.00 11.13 ? 160 GLY A CA 1 -ATOM 1204 C C . GLY A 1 202 ? -21.785 33.775 31.389 1.00 16.64 ? 160 GLY A C 1 -ATOM 1205 O O . GLY A 1 202 ? -21.280 32.725 30.961 1.00 19.12 ? 160 GLY A O 1 -ATOM 1206 N N . THR A 1 203 ? -21.311 34.960 31.046 1.00 13.13 ? 161 THR A N 1 -ATOM 1207 C CA . THR A 1 203 ? -20.120 35.158 30.238 1.00 14.97 ? 161 THR A CA 1 -ATOM 1208 C C . THR A 1 203 ? -19.197 36.150 30.954 1.00 15.76 ? 161 THR A C 1 -ATOM 1209 O O . THR A 1 203 ? -19.562 36.707 31.990 1.00 12.82 ? 161 THR A O 1 -ATOM 1210 C CB . THR A 1 203 ? -20.396 35.737 28.840 1.00 20.58 ? 161 THR A CB 1 -ATOM 1211 O OG1 . THR A 1 203 ? -21.176 36.942 28.992 1.00 23.05 ? 161 THR A OG1 1 -ATOM 1212 C CG2 . THR A 1 203 ? -21.145 34.782 27.937 1.00 24.28 ? 161 THR A CG2 1 -ATOM 1213 N N . LEU A 1 204 ? -18.015 36.391 30.397 1.00 13.44 ? 162 LEU A N 1 -ATOM 1214 C CA . LEU A 1 204 ? -17.034 37.309 30.952 1.00 16.07 ? 162 LEU A CA 1 -ATOM 1215 C C . LEU A 1 204 ? -17.552 38.736 31.060 1.00 12.68 ? 162 LEU A C 1 -ATOM 1216 O O . LEU A 1 204 ? -17.233 39.492 31.985 1.00 13.58 ? 162 LEU A O 1 -ATOM 1217 C CB . LEU A 1 204 ? -15.803 37.286 30.020 1.00 23.53 ? 162 LEU A CB 1 -ATOM 1218 C CG . LEU A 1 204 ? -14.490 36.823 30.640 1.00 28.54 ? 162 LEU A CG 1 -ATOM 1219 C CD1 . LEU A 1 204 ? -14.620 35.436 31.251 1.00 30.58 ? 162 LEU A CD1 1 -ATOM 1220 C CD2 . LEU A 1 204 ? -13.388 36.837 29.588 1.00 32.46 ? 162 LEU A CD2 1 -ATOM 1221 N N . GLU A 1 205 ? -18.283 39.182 30.051 1.00 10.70 ? 163 GLU A N 1 -ATOM 1222 C CA . GLU A 1 205 ? -18.966 40.459 29.975 1.00 11.59 ? 163 GLU A CA 1 -ATOM 1223 C C . GLU A 1 205 ? -18.088 41.681 29.777 1.00 12.57 ? 163 GLU A C 1 -ATOM 1224 O O . GLU A 1 205 ? -18.448 42.539 28.960 1.00 11.69 ? 163 GLU A O 1 -ATOM 1225 C CB . GLU A 1 205 ? -19.852 40.683 31.220 1.00 10.82 ? 163 GLU A CB 1 -ATOM 1226 C CG . GLU A 1 205 ? -20.694 41.961 31.202 1.00 12.43 ? 163 GLU A CG 1 -ATOM 1227 C CD . GLU A 1 205 ? -21.821 41.936 30.189 1.00 14.29 ? 163 GLU A CD 1 -ATOM 1228 O OE1 . GLU A 1 205 ? -22.341 40.848 29.879 1.00 13.44 ? 163 GLU A OE1 1 -ATOM 1229 O OE2 . GLU A 1 205 ? -22.208 42.997 29.648 1.00 13.74 ? 163 GLU A OE2 1 -ATOM 1230 N N . VAL A 1 206 ? -16.967 41.779 30.479 1.00 9.16 ? 164 VAL A N 1 -ATOM 1231 C CA . VAL A 1 206 ? -16.103 42.938 30.396 1.00 7.97 ? 164 VAL A CA 1 -ATOM 1232 C C . VAL A 1 206 ? -15.411 43.094 29.048 1.00 8.82 ? 164 VAL A C 1 -ATOM 1233 O O . VAL A 1 206 ? -15.076 44.242 28.728 1.00 9.94 ? 164 VAL A O 1 -ATOM 1234 C CB . VAL A 1 206 ? -15.026 42.942 31.501 1.00 9.87 ? 164 VAL A CB 1 -ATOM 1235 C CG1 . VAL A 1 206 ? -15.695 43.144 32.862 1.00 11.76 ? 164 VAL A CG1 1 -ATOM 1236 C CG2 . VAL A 1 206 ? -14.219 41.645 31.485 1.00 8.81 ? 164 VAL A CG2 1 -ATOM 1237 N N . TYR A 1 207 ? -15.148 42.021 28.309 1.00 6.54 ? 165 TYR A N 1 -ATOM 1238 C CA . TYR A 1 207 ? -14.435 42.151 27.036 1.00 7.78 ? 165 TYR A CA 1 -ATOM 1239 C C . TYR A 1 207 ? -15.324 41.741 25.863 1.00 11.04 ? 165 TYR A C 1 -ATOM 1240 O O . TYR A 1 207 ? -14.884 41.073 24.924 1.00 13.39 ? 165 TYR A O 1 -ATOM 1241 C CB . TYR A 1 207 ? -13.138 41.336 27.035 1.00 11.35 ? 165 TYR A CB 1 -ATOM 1242 C CG . TYR A 1 207 ? -12.173 41.661 28.158 1.00 10.81 ? 165 TYR A CG 1 -ATOM 1243 C CD1 . TYR A 1 207 ? -11.875 42.970 28.504 1.00 13.32 ? 165 TYR A CD1 1 -ATOM 1244 C CD2 . TYR A 1 207 ? -11.572 40.645 28.885 1.00 12.20 ? 165 TYR A CD2 1 -ATOM 1245 C CE1 . TYR A 1 207 ? -11.005 43.264 29.535 1.00 11.63 ? 165 TYR A CE1 1 -ATOM 1246 C CE2 . TYR A 1 207 ? -10.698 40.925 29.927 1.00 12.72 ? 165 TYR A CE2 1 -ATOM 1247 C CZ . TYR A 1 207 ? -10.423 42.235 30.240 1.00 11.20 ? 165 TYR A CZ 1 -ATOM 1248 O OH . TYR A 1 207 ? -9.554 42.521 31.270 1.00 10.35 ? 165 TYR A OH 1 -ATOM 1249 N N . GLU A 1 208 ? -16.590 42.127 25.933 1.00 10.00 ? 166 GLU A N 1 -ATOM 1250 C CA . GLU A 1 208 ? -17.581 41.777 24.915 1.00 10.82 ? 166 GLU A CA 1 -ATOM 1251 C C . GLU A 1 208 ? -18.170 43.041 24.305 1.00 12.06 ? 166 GLU A C 1 -ATOM 1252 O O . GLU A 1 208 ? -18.181 44.103 24.948 1.00 13.16 ? 166 GLU A O 1 -ATOM 1253 C CB . GLU A 1 208 ? -18.651 40.894 25.560 1.00 13.06 ? 166 GLU A CB 1 -ATOM 1254 C CG . GLU A 1 208 ? -18.117 39.504 25.923 1.00 17.25 ? 166 GLU A CG 1 -ATOM 1255 C CD . GLU A 1 208 ? -19.269 38.633 26.389 1.00 20.41 ? 166 GLU A CD 1 -ATOM 1256 O OE1 . GLU A 1 208 ? -20.208 38.437 25.593 1.00 23.98 ? 166 GLU A OE1 1 -ATOM 1257 O OE2 . GLU A 1 208 ? -19.230 38.185 27.536 1.00 22.53 ? 166 GLU A OE2 1 -ATOM 1258 N N . GLN A 1 209 ? -18.616 42.957 23.053 1.00 10.45 ? 167 GLN A N 1 -ATOM 1259 C CA . GLN A 1 209 ? -19.114 44.150 22.362 1.00 9.98 ? 167 GLN A CA 1 -ATOM 1260 C C . GLN A 1 209 ? -20.295 44.767 23.096 1.00 11.22 ? 167 GLN A C 1 -ATOM 1261 O O . GLN A 1 209 ? -21.150 44.042 23.611 1.00 13.17 ? 167 GLN A O 1 -ATOM 1262 C CB . GLN A 1 209 ? -19.464 43.840 20.909 1.00 11.89 ? 167 GLN A CB 1 -ATOM 1263 C CG . GLN A 1 209 ? -20.029 45.012 20.118 1.00 14.16 ? 167 GLN A CG 1 -ATOM 1264 C CD . GLN A 1 209 ? -19.075 46.167 19.911 1.00 13.83 ? 167 GLN A CD 1 -ATOM 1265 O OE1 . GLN A 1 209 ? -18.611 46.838 20.833 1.00 13.50 ? 167 GLN A OE1 1 -ATOM 1266 N NE2 . GLN A 1 209 ? -18.760 46.455 18.650 1.00 14.71 ? 167 GLN A NE2 1 -ATOM 1267 N N . GLN A 1 210 ? -20.332 46.102 23.121 1.00 9.34 ? 168 GLN A N 1 -ATOM 1268 C CA . GLN A 1 210 ? -21.392 46.827 23.802 1.00 10.50 ? 168 GLN A CA 1 -ATOM 1269 C C . GLN A 1 210 ? -22.519 47.251 22.856 1.00 9.75 ? 168 GLN A C 1 -ATOM 1270 O O . GLN A 1 210 ? -22.300 47.321 21.645 1.00 12.59 ? 168 GLN A O 1 -ATOM 1271 C CB . GLN A 1 210 ? -20.810 48.143 24.357 1.00 9.56 ? 168 GLN A CB 1 -ATOM 1272 C CG . GLN A 1 210 ? -19.485 48.013 25.102 1.00 11.07 ? 168 GLN A CG 1 -ATOM 1273 C CD . GLN A 1 210 ? -19.743 47.342 26.441 1.00 13.61 ? 168 GLN A CD 1 -ATOM 1274 O OE1 . GLN A 1 210 ? -20.133 48.029 27.383 1.00 12.98 ? 168 GLN A OE1 1 -ATOM 1275 N NE2 . GLN A 1 210 ? -19.564 46.031 26.516 1.00 10.49 ? 168 GLN A NE2 1 -ATOM 1276 N N . THR A 1 211 ? -23.659 47.654 23.408 1.00 10.83 ? 169 THR A N 1 -ATOM 1277 C CA . THR A 1 211 ? -24.700 48.259 22.555 1.00 10.98 ? 169 THR A CA 1 -ATOM 1278 C C . THR A 1 211 ? -24.043 49.378 21.751 1.00 12.18 ? 169 THR A C 1 -ATOM 1279 O O . THR A 1 211 ? -23.325 50.218 22.324 1.00 11.32 ? 169 THR A O 1 -ATOM 1280 C CB . THR A 1 211 ? -25.840 48.823 23.422 1.00 12.93 ? 169 THR A CB 1 -ATOM 1281 O OG1 . THR A 1 211 ? -26.523 47.709 24.013 1.00 12.00 ? 169 THR A OG1 1 -ATOM 1282 C CG2 . THR A 1 211 ? -26.822 49.636 22.588 1.00 13.14 ? 169 THR A CG2 1 -ATOM 1283 N N . ALA A 1 212 ? -24.237 49.409 20.436 1.00 8.96 ? 170 ALA A N 1 -ATOM 1284 C CA . ALA A 1 212 ? -23.558 50.386 19.588 1.00 9.64 ? 170 ALA A CA 1 -ATOM 1285 C C . ALA A 1 212 ? -23.774 51.839 19.963 1.00 9.51 ? 170 ALA A C 1 -ATOM 1286 O O . ALA A 1 212 ? -24.877 52.275 20.318 1.00 12.17 ? 170 ALA A O 1 -ATOM 1287 C CB . ALA A 1 212 ? -23.974 50.161 18.134 1.00 11.51 ? 170 ALA A CB 1 -ATOM 1288 N N . TRP A 1 213 ? -22.743 52.668 19.739 1.00 8.58 ? 171 TRP A N 1 -ATOM 1289 C CA . TRP A 1 213 ? -22.808 54.098 20.029 1.00 9.77 ? 171 TRP A CA 1 -ATOM 1290 C C . TRP A 1 213 ? -23.980 54.802 19.369 1.00 10.91 ? 171 TRP A C 1 -ATOM 1291 O O . TRP A 1 213 ? -24.701 55.561 20.035 1.00 11.45 ? 171 TRP A O 1 -ATOM 1292 C CB . TRP A 1 213 ? -21.492 54.830 19.748 1.00 12.10 ? 171 TRP A CB 1 -ATOM 1293 C CG . TRP A 1 213 ? -20.417 54.712 20.782 1.00 11.45 ? 171 TRP A CG 1 -ATOM 1294 C CD1 . TRP A 1 213 ? -19.230 54.051 20.611 1.00 13.24 ? 171 TRP A CD1 1 -ATOM 1295 C CD2 . TRP A 1 213 ? -20.351 55.282 22.094 1.00 13.25 ? 171 TRP A CD2 1 -ATOM 1296 N NE1 . TRP A 1 213 ? -18.462 54.127 21.749 1.00 13.56 ? 171 TRP A NE1 1 -ATOM 1297 C CE2 . TRP A 1 213 ? -19.126 54.892 22.672 1.00 12.38 ? 171 TRP A CE2 1 -ATOM 1298 C CE3 . TRP A 1 213 ? -21.228 56.069 22.853 1.00 12.96 ? 171 TRP A CE3 1 -ATOM 1299 C CZ2 . TRP A 1 213 ? -18.751 55.258 23.963 1.00 12.74 ? 171 TRP A CZ2 1 -ATOM 1300 C CZ3 . TRP A 1 213 ? -20.849 56.434 24.135 1.00 13.83 ? 171 TRP A CZ3 1 -ATOM 1301 C CH2 . TRP A 1 213 ? -19.624 56.024 24.682 1.00 11.96 ? 171 TRP A CH2 1 -ATOM 1302 N N . PRO A 1 214 ? -24.263 54.573 18.091 1.00 14.39 ? 172 PRO A N 1 -ATOM 1303 C CA . PRO A 1 214 ? -25.392 55.198 17.415 1.00 16.11 ? 172 PRO A CA 1 -ATOM 1304 C C . PRO A 1 214 ? -26.728 54.854 18.058 1.00 14.77 ? 172 PRO A C 1 -ATOM 1305 O O . PRO A 1 214 ? -27.647 55.677 18.036 1.00 15.22 ? 172 PRO A O 1 -ATOM 1306 C CB . PRO A 1 214 ? -25.346 54.705 15.981 1.00 17.15 ? 172 PRO A CB 1 -ATOM 1307 C CG . PRO A 1 214 ? -24.078 53.957 15.819 1.00 19.02 ? 172 PRO A CG 1 -ATOM 1308 C CD . PRO A 1 214 ? -23.457 53.750 17.163 1.00 13.88 ? 172 PRO A CD 1 -ATOM 1309 N N . VAL A 1 215 ? -26.877 53.652 18.605 1.00 13.80 ? 173 VAL A N 1 -ATOM 1310 C CA . VAL A 1 215 ? -28.098 53.251 19.296 1.00 13.64 ? 173 VAL A CA 1 -ATOM 1311 C C . VAL A 1 215 ? -28.256 54.088 20.554 1.00 13.94 ? 173 VAL A C 1 -ATOM 1312 O O . VAL A 1 215 ? -29.365 54.521 20.878 1.00 13.98 ? 173 VAL A O 1 -ATOM 1313 C CB . VAL A 1 215 ? -28.118 51.753 19.656 1.00 15.25 ? 173 VAL A CB 1 -ATOM 1314 C CG1 . VAL A 1 215 ? -29.329 51.407 20.515 1.00 13.68 ? 173 VAL A CG1 1 -ATOM 1315 C CG2 . VAL A 1 215 ? -28.129 50.886 18.401 1.00 15.23 ? 173 VAL A CG2 1 -ATOM 1316 N N . LEU A 1 216 ? -27.156 54.359 21.270 1.00 11.75 ? 174 LEU A N 1 -ATOM 1317 C CA . LEU A 1 216 ? -27.228 55.223 22.442 1.00 9.47 ? 174 LEU A CA 1 -ATOM 1318 C C . LEU A 1 216 ? -27.657 56.634 22.044 1.00 12.08 ? 174 LEU A C 1 -ATOM 1319 O O . LEU A 1 216 ? -28.520 57.224 22.695 1.00 11.34 ? 174 LEU A O 1 -ATOM 1320 C CB . LEU A 1 216 ? -25.876 55.309 23.162 1.00 13.72 ? 174 LEU A CB 1 -ATOM 1321 C CG . LEU A 1 216 ? -25.258 54.001 23.656 1.00 15.42 ? 174 LEU A CG 1 -ATOM 1322 C CD1 . LEU A 1 216 ? -24.068 54.274 24.577 1.00 13.72 ? 174 LEU A CD1 1 -ATOM 1323 C CD2 . LEU A 1 216 ? -26.268 53.112 24.362 1.00 16.44 ? 174 LEU A CD2 1 -ATOM 1324 N N . ALA A 1 217 ? -27.078 57.182 20.975 1.00 9.81 ? 175 ALA A N 1 -ATOM 1325 C CA . ALA A 1 217 ? -27.425 58.546 20.567 1.00 12.22 ? 175 ALA A CA 1 -ATOM 1326 C C . ALA A 1 217 ? -28.907 58.716 20.256 1.00 15.32 ? 175 ALA A C 1 -ATOM 1327 O O . ALA A 1 217 ? -29.470 59.776 20.533 1.00 17.57 ? 175 ALA A O 1 -ATOM 1328 C CB . ALA A 1 217 ? -26.606 58.953 19.348 1.00 16.44 ? 175 ALA A CB 1 -ATOM 1329 N N . GLU A 1 218 ? -29.525 57.719 19.636 1.00 16.83 ? 176 GLU A N 1 -ATOM 1330 C CA . GLU A 1 218 ? -30.934 57.824 19.288 1.00 19.06 ? 176 GLU A CA 1 -ATOM 1331 C C . GLU A 1 218 ? -31.884 57.446 20.408 1.00 18.88 ? 176 GLU A C 1 -ATOM 1332 O O . GLU A 1 218 ? -33.078 57.757 20.276 1.00 19.17 ? 176 GLU A O 1 -ATOM 1333 C CB . GLU A 1 218 ? -31.233 56.952 18.062 1.00 24.73 ? 176 GLU A CB 1 -ATOM 1334 C CG . GLU A 1 218 ? -30.347 57.229 16.865 1.00 35.08 ? 176 GLU A CG 1 -ATOM 1335 C CD . GLU A 1 218 ? -30.474 58.622 16.288 1.00 40.94 ? 176 GLU A CD 1 -ATOM 1336 O OE1 . GLU A 1 218 ? -31.288 59.436 16.779 1.00 44.66 ? 176 GLU A OE1 1 -ATOM 1337 O OE2 . GLU A 1 218 ? -29.744 58.921 15.314 1.00 44.64 ? 176 GLU A OE2 1 -ATOM 1338 N N . ASN A 1 219 ? -31.444 56.707 21.430 1.00 14.30 ? 177 ASN A N 1 -ATOM 1339 C CA . ASN A 1 219 ? -32.367 56.213 22.441 1.00 15.65 ? 177 ASN A CA 1 -ATOM 1340 C C . ASN A 1 219 ? -32.110 56.528 23.898 1.00 16.73 ? 177 ASN A C 1 -ATOM 1341 O O . ASN A 1 219 ? -33.046 56.503 24.714 1.00 14.62 ? 177 ASN A O 1 -ATOM 1342 C CB . ASN A 1 219 ? -32.382 54.668 22.331 1.00 17.27 ? 177 ASN A CB 1 -ATOM 1343 C CG . ASN A 1 219 ? -33.007 54.160 21.053 1.00 19.80 ? 177 ASN A CG 1 -ATOM 1344 O OD1 . ASN A 1 219 ? -34.227 54.110 20.918 1.00 20.15 ? 177 ASN A OD1 1 -ATOM 1345 N ND2 . ASN A 1 219 ? -32.169 53.796 20.092 1.00 18.68 ? 177 ASN A ND2 1 -ATOM 1346 N N . THR A 1 220 ? -30.852 56.732 24.284 1.00 13.82 ? 178 THR A N 1 -ATOM 1347 C CA . THR A 1 220 ? -30.550 56.977 25.695 1.00 13.17 ? 178 THR A CA 1 -ATOM 1348 C C . THR A 1 220 ? -30.957 58.385 26.096 1.00 12.88 ? 178 THR A C 1 -ATOM 1349 O O . THR A 1 220 ? -30.770 59.346 25.358 1.00 14.74 ? 178 THR A O 1 -ATOM 1350 C CB . THR A 1 220 ? -29.043 56.748 25.945 1.00 13.51 ? 178 THR A CB 1 -ATOM 1351 O OG1 . THR A 1 220 ? -28.727 55.387 25.604 1.00 14.62 ? 178 THR A OG1 1 -ATOM 1352 C CG2 . THR A 1 220 ? -28.660 57.008 27.387 1.00 14.52 ? 178 THR A CG2 1 -ATOM 1353 N N . GLU A 1 221 ? -31.538 58.509 27.278 1.00 12.72 ? 179 GLU A N 1 -ATOM 1354 C CA . GLU A 1 221 ? -31.931 59.783 27.847 1.00 13.38 ? 179 GLU A CA 1 -ATOM 1355 C C . GLU A 1 221 ? -30.999 60.205 28.974 1.00 13.69 ? 179 GLU A C 1 -ATOM 1356 O O . GLU A 1 221 ? -30.817 61.397 29.203 1.00 13.19 ? 179 GLU A O 1 -ATOM 1357 C CB . GLU A 1 221 ? -33.366 59.701 28.410 1.00 15.01 ? 179 GLU A CB 1 -ATOM 1358 C CG . GLU A 1 221 ? -34.382 59.479 27.299 1.00 14.25 ? 179 GLU A CG 1 -ATOM 1359 C CD . GLU A 1 221 ? -35.803 59.331 27.797 1.00 19.97 ? 179 GLU A CD 1 -ATOM 1360 O OE1 . GLU A 1 221 ? -36.082 58.536 28.713 1.00 18.19 ? 179 GLU A OE1 1 -ATOM 1361 O OE2 . GLU A 1 221 ? -36.663 60.051 27.239 1.00 25.78 ? 179 GLU A OE2 1 -ATOM 1362 N N . VAL A 1 222 ? -30.474 59.240 29.722 1.00 12.55 ? 180 VAL A N 1 -ATOM 1363 C CA . VAL A 1 222 ? -29.581 59.530 30.839 1.00 10.84 ? 180 VAL A CA 1 -ATOM 1364 C C . VAL A 1 222 ? -28.348 58.621 30.714 1.00 12.02 ? 180 VAL A C 1 -ATOM 1365 O O . VAL A 1 222 ? -28.536 57.405 30.720 1.00 12.74 ? 180 VAL A O 1 -ATOM 1366 C CB . VAL A 1 222 ? -30.240 59.269 32.204 1.00 13.70 ? 180 VAL A CB 1 -ATOM 1367 C CG1 . VAL A 1 222 ? -29.205 59.412 33.322 1.00 16.24 ? 180 VAL A CG1 1 -ATOM 1368 C CG2 . VAL A 1 222 ? -31.415 60.205 32.492 1.00 13.99 ? 180 VAL A CG2 1 -ATOM 1369 N N . MET A 1 223 ? -27.162 59.179 30.556 1.00 11.94 ? 181 MET A N 1 -ATOM 1370 C CA . MET A 1 223 ? -25.949 58.361 30.420 1.00 13.17 ? 181 MET A CA 1 -ATOM 1371 C C . MET A 1 223 ? -25.121 58.500 31.690 1.00 11.52 ? 181 MET A C 1 -ATOM 1372 O O . MET A 1 223 ? -24.756 59.616 32.072 1.00 13.84 ? 181 MET A O 1 -ATOM 1373 C CB . MET A 1 223 ? -25.145 58.839 29.211 1.00 17.12 ? 181 MET A CB 1 -ATOM 1374 C CG . MET A 1 223 ? -23.852 58.062 28.968 1.00 18.68 ? 181 MET A CG 1 -ATOM 1375 S SD . MET A 1 223 ? -24.213 56.511 28.125 1.00 19.88 ? 181 MET A SD 1 -ATOM 1376 C CE . MET A 1 223 ? -22.599 55.741 28.058 1.00 21.79 ? 181 MET A CE 1 -ATOM 1377 N N . VAL A 1 224 ? -24.838 57.402 32.382 1.00 7.57 ? 182 VAL A N 1 -ATOM 1378 C CA . VAL A 1 224 ? -24.068 57.464 33.612 1.00 9.93 ? 182 VAL A CA 1 -ATOM 1379 C C . VAL A 1 224 ? -22.675 56.878 33.436 1.00 12.38 ? 182 VAL A C 1 -ATOM 1380 O O . VAL A 1 224 ? -22.580 55.710 33.046 1.00 14.21 ? 182 VAL A O 1 -ATOM 1381 C CB . VAL A 1 224 ? -24.747 56.665 34.745 1.00 11.65 ? 182 VAL A CB 1 -ATOM 1382 C CG1 . VAL A 1 224 ? -23.990 56.874 36.053 1.00 12.80 ? 182 VAL A CG1 1 -ATOM 1383 C CG2 . VAL A 1 224 ? -26.204 57.072 34.913 1.00 13.70 ? 182 VAL A CG2 1 -ATOM 1384 N N . PHE A 1 225 ? -21.639 57.657 33.720 1.00 10.80 ? 183 PHE A N 1 -ATOM 1385 C CA . PHE A 1 225 ? -20.286 57.094 33.684 1.00 10.42 ? 183 PHE A CA 1 -ATOM 1386 C C . PHE A 1 225 ? -19.933 56.808 35.141 1.00 9.53 ? 183 PHE A C 1 -ATOM 1387 O O . PHE A 1 225 ? -19.705 57.738 35.917 1.00 8.90 ? 183 PHE A O 1 -ATOM 1388 C CB . PHE A 1 225 ? -19.299 58.056 33.022 1.00 10.45 ? 183 PHE A CB 1 -ATOM 1389 C CG . PHE A 1 225 ? -19.527 58.117 31.529 1.00 10.76 ? 183 PHE A CG 1 -ATOM 1390 C CD1 . PHE A 1 225 ? -19.217 57.028 30.738 1.00 10.78 ? 183 PHE A CD1 1 -ATOM 1391 C CD2 . PHE A 1 225 ? -20.053 59.254 30.944 1.00 11.69 ? 183 PHE A CD2 1 -ATOM 1392 C CE1 . PHE A 1 225 ? -19.421 57.060 29.371 1.00 11.80 ? 183 PHE A CE1 1 -ATOM 1393 C CE2 . PHE A 1 225 ? -20.246 59.299 29.571 1.00 13.25 ? 183 PHE A CE2 1 -ATOM 1394 C CZ . PHE A 1 225 ? -19.931 58.205 28.795 1.00 11.77 ? 183 PHE A CZ 1 -ATOM 1395 N N . TRP A 1 226 ? -19.969 55.542 35.531 1.00 8.92 ? 184 TRP A N 1 -ATOM 1396 C CA . TRP A 1 226 ? -19.723 55.180 36.932 1.00 9.72 ? 184 TRP A CA 1 -ATOM 1397 C C . TRP A 1 226 ? -18.312 54.649 37.107 1.00 10.32 ? 184 TRP A C 1 -ATOM 1398 O O . TRP A 1 226 ? -18.036 53.565 36.598 1.00 9.68 ? 184 TRP A O 1 -ATOM 1399 C CB . TRP A 1 226 ? -20.732 54.107 37.381 1.00 9.08 ? 184 TRP A CB 1 -ATOM 1400 C CG . TRP A 1 226 ? -20.937 54.085 38.870 1.00 9.32 ? 184 TRP A CG 1 -ATOM 1401 C CD1 . TRP A 1 226 ? -19.976 54.145 39.839 1.00 9.79 ? 184 TRP A CD1 1 -ATOM 1402 C CD2 . TRP A 1 226 ? -22.190 54.020 39.561 1.00 10.72 ? 184 TRP A CD2 1 -ATOM 1403 N NE1 . TRP A 1 226 ? -20.551 54.112 41.089 1.00 9.55 ? 184 TRP A NE1 1 -ATOM 1404 C CE2 . TRP A 1 226 ? -21.915 54.038 40.938 1.00 9.14 ? 184 TRP A CE2 1 -ATOM 1405 C CE3 . TRP A 1 226 ? -23.519 53.948 39.127 1.00 10.96 ? 184 TRP A CE3 1 -ATOM 1406 C CZ2 . TRP A 1 226 ? -22.917 53.994 41.907 1.00 10.79 ? 184 TRP A CZ2 1 -ATOM 1407 C CZ3 . TRP A 1 226 ? -24.522 53.886 40.093 1.00 11.86 ? 184 TRP A CZ3 1 -ATOM 1408 C CH2 . TRP A 1 226 ? -24.210 53.911 41.456 1.00 11.67 ? 184 TRP A CH2 1 -ATOM 1409 N N . ALA A 1 227 ? -17.412 55.405 37.718 1.00 6.13 ? 185 ALA A N 1 -ATOM 1410 C CA . ALA A 1 227 ? -16.016 54.990 37.876 1.00 6.27 ? 185 ALA A CA 1 -ATOM 1411 C C . ALA A 1 227 ? -15.355 54.808 36.514 1.00 8.87 ? 185 ALA A C 1 -ATOM 1412 O O . ALA A 1 227 ? -14.549 53.903 36.325 1.00 7.96 ? 185 ALA A O 1 -ATOM 1413 C CB . ALA A 1 227 ? -15.898 53.704 38.685 1.00 7.65 ? 185 ALA A CB 1 -ATOM 1414 N N . ALA A 1 228 ? -15.677 55.665 35.557 1.00 8.10 ? 186 ALA A N 1 -ATOM 1415 C CA . ALA A 1 228 ? -15.145 55.540 34.201 1.00 8.12 ? 186 ALA A CA 1 -ATOM 1416 C C . ALA A 1 228 ? -14.795 56.922 33.673 1.00 9.08 ? 186 ALA A C 1 -ATOM 1417 O O . ALA A 1 228 ? -15.593 57.837 33.839 1.00 8.67 ? 186 ALA A O 1 -ATOM 1418 C CB . ALA A 1 228 ? -16.230 54.952 33.280 1.00 8.04 ? 186 ALA A CB 1 -ATOM 1419 N N . ASP A 1 229 ? -13.655 57.049 33.011 1.00 9.25 ? 187 ASP A N 1 -ATOM 1420 C CA . ASP A 1 229 ? -13.254 58.332 32.420 1.00 7.50 ? 187 ASP A CA 1 -ATOM 1421 C C . ASP A 1 229 ? -12.884 58.015 30.976 1.00 8.98 ? 187 ASP A C 1 -ATOM 1422 O O . ASP A 1 229 ? -11.709 57.842 30.649 1.00 7.43 ? 187 ASP A O 1 -ATOM 1423 C CB . ASP A 1 229 ? -12.053 58.869 33.201 1.00 6.73 ? 187 ASP A CB 1 -ATOM 1424 C CG . ASP A 1 229 ? -11.520 60.183 32.657 1.00 6.54 ? 187 ASP A CG 1 -ATOM 1425 O OD1 . ASP A 1 229 ? -12.125 60.732 31.709 1.00 9.59 ? 187 ASP A OD1 1 -ATOM 1426 O OD2 . ASP A 1 229 ? -10.474 60.642 33.139 1.00 8.50 ? 187 ASP A OD2 1 -ATOM 1427 N N . PRO A 1 230 ? -13.878 57.858 30.113 1.00 8.27 ? 188 PRO A N 1 -ATOM 1428 C CA . PRO A 1 230 ? -13.659 57.430 28.742 1.00 9.35 ? 188 PRO A CA 1 -ATOM 1429 C C . PRO A 1 230 ? -12.788 58.358 27.925 1.00 9.39 ? 188 PRO A C 1 -ATOM 1430 O O . PRO A 1 230 ? -12.028 57.874 27.082 1.00 9.54 ? 188 PRO A O 1 -ATOM 1431 C CB . PRO A 1 230 ? -15.053 57.257 28.141 1.00 8.69 ? 188 PRO A CB 1 -ATOM 1432 C CG . PRO A 1 230 ? -15.939 58.068 29.024 1.00 11.72 ? 188 PRO A CG 1 -ATOM 1433 C CD . PRO A 1 230 ? -15.327 58.004 30.402 1.00 10.08 ? 188 PRO A CD 1 -ATOM 1434 N N . ILE A 1 231 ? -12.832 59.668 28.183 1.00 6.32 ? 189 ILE A N 1 -ATOM 1435 C CA . ILE A 1 231 ? -11.963 60.570 27.431 1.00 9.04 ? 189 ILE A CA 1 -ATOM 1436 C C . ILE A 1 231 ? -10.500 60.247 27.704 1.00 8.26 ? 189 ILE A C 1 -ATOM 1437 O O . ILE A 1 231 ? -9.692 60.193 26.772 1.00 11.39 ? 189 ILE A O 1 -ATOM 1438 C CB . ILE A 1 231 ? -12.306 62.040 27.775 1.00 8.99 ? 189 ILE A CB 1 -ATOM 1439 C CG1 . ILE A 1 231 ? -13.663 62.353 27.140 1.00 12.17 ? 189 ILE A CG1 1 -ATOM 1440 C CG2 . ILE A 1 231 ? -11.185 62.936 27.272 1.00 11.11 ? 189 ILE A CG2 1 -ATOM 1441 C CD1 . ILE A 1 231 ? -14.142 63.771 27.330 1.00 16.64 ? 189 ILE A CD1 1 -ATOM 1442 N N . LYS A 1 232 ? -10.133 59.952 28.947 1.00 7.17 ? 190 LYS A N 1 -ATOM 1443 C CA . LYS A 1 232 ? -8.763 59.582 29.276 1.00 6.32 ? 190 LYS A CA 1 -ATOM 1444 C C . LYS A 1 232 ? -8.373 58.198 28.754 1.00 7.34 ? 190 LYS A C 1 -ATOM 1445 O O . LYS A 1 232 ? -7.357 58.050 28.054 1.00 6.99 ? 190 LYS A O 1 -ATOM 1446 C CB . LYS A 1 232 ? -8.580 59.569 30.809 1.00 6.02 ? 190 LYS A CB 1 -ATOM 1447 C CG . LYS A 1 232 ? -7.166 59.172 31.235 1.00 7.52 ? 190 LYS A CG 1 -ATOM 1448 C CD . LYS A 1 232 ? -7.063 59.112 32.755 1.00 6.72 ? 190 LYS A CD 1 -ATOM 1449 C CE . LYS A 1 232 ? -7.754 57.884 33.346 1.00 6.93 ? 190 LYS A CE 1 -ATOM 1450 N NZ . LYS A 1 232 ? -7.481 57.756 34.818 1.00 4.95 ? 190 LYS A NZ 1 -ATOM 1451 N N . THR A 1 233 ? -9.179 57.190 29.083 1.00 7.22 ? 191 THR A N 1 -ATOM 1452 C CA . THR A 1 233 ? -8.808 55.802 28.782 1.00 7.58 ? 191 THR A CA 1 -ATOM 1453 C C . THR A 1 233 ? -9.040 55.303 27.376 1.00 8.69 ? 191 THR A C 1 -ATOM 1454 O O . THR A 1 233 ? -8.512 54.223 27.023 1.00 7.02 ? 191 THR A O 1 -ATOM 1455 C CB . THR A 1 233 ? -9.478 54.847 29.806 1.00 6.86 ? 191 THR A CB 1 -ATOM 1456 O OG1 . THR A 1 233 ? -10.898 54.976 29.721 1.00 7.96 ? 191 THR A OG1 1 -ATOM 1457 C CG2 . THR A 1 233 ? -9.010 55.204 31.223 1.00 7.52 ? 191 THR A CG2 1 -ATOM 1458 N N . SER A 1 234 ? -9.757 56.033 26.520 1.00 7.26 ? 192 SER A N 1 -ATOM 1459 C CA . SER A 1 234 ? -10.002 55.579 25.154 1.00 7.56 ? 192 SER A CA 1 -ATOM 1460 C C . SER A 1 234 ? -8.869 55.928 24.194 1.00 7.23 ? 192 SER A C 1 -ATOM 1461 O O . SER A 1 234 ? -9.004 55.645 22.993 1.00 9.60 ? 192 SER A O 1 -ATOM 1462 C CB . SER A 1 234 ? -11.306 56.198 24.613 1.00 7.61 ? 192 SER A CB 1 -ATOM 1463 O OG . SER A 1 234 ? -12.432 55.717 25.347 1.00 7.72 ? 192 SER A OG 1 -ATOM 1464 N N . GLN A 1 235 ? -7.781 56.525 24.645 1.00 7.54 ? 193 GLN A N 1 -ATOM 1465 C CA . GLN A 1 235 ? -6.661 56.906 23.786 1.00 5.24 ? 193 GLN A CA 1 -ATOM 1466 C C . GLN A 1 235 ? -5.909 55.700 23.230 1.00 8.15 ? 193 GLN A C 1 -ATOM 1467 O O . GLN A 1 235 ? -5.198 55.809 22.220 1.00 10.03 ? 193 GLN A O 1 -ATOM 1468 C CB . GLN A 1 235 ? -5.650 57.755 24.586 1.00 7.93 ? 193 GLN A CB 1 -ATOM 1469 C CG . GLN A 1 235 ? -6.216 59.121 25.023 1.00 7.52 ? 193 GLN A CG 1 -ATOM 1470 C CD . GLN A 1 235 ? -5.209 59.902 25.833 1.00 12.75 ? 193 GLN A CD 1 -ATOM 1471 O OE1 . GLN A 1 235 ? -4.273 60.468 25.243 1.00 13.74 ? 193 GLN A OE1 1 -ATOM 1472 N NE2 . GLN A 1 235 ? -5.323 60.002 27.146 1.00 14.35 ? 193 GLN A NE2 1 -ATOM 1473 N N . ILE A 1 236 ? -5.971 54.575 23.947 1.00 7.13 ? 194 ILE A N 1 -ATOM 1474 C CA . ILE A 1 236 ? -5.172 53.429 23.526 1.00 7.86 ? 194 ILE A CA 1 -ATOM 1475 C C . ILE A 1 236 ? -6.035 52.218 23.212 1.00 7.72 ? 194 ILE A C 1 -ATOM 1476 O O . ILE A 1 236 ? -7.225 52.152 23.540 1.00 9.55 ? 194 ILE A O 1 -ATOM 1477 C CB . ILE A 1 236 ? -4.107 53.071 24.578 1.00 12.27 ? 194 ILE A CB 1 -ATOM 1478 C CG1 . ILE A 1 236 ? -4.804 52.703 25.896 1.00 14.54 ? 194 ILE A CG1 1 -ATOM 1479 C CG2 . ILE A 1 236 ? -3.071 54.158 24.829 1.00 12.83 ? 194 ILE A CG2 1 -ATOM 1480 C CD1 . ILE A 1 236 ? -4.964 51.195 26.011 1.00 15.25 ? 194 ILE A CD1 1 -ATOM 1481 N N . GLY A 1 237 ? -5.401 51.233 22.575 1.00 7.23 ? 195 GLY A N 1 -ATOM 1482 C CA . GLY A 1 237 ? -6.085 49.973 22.273 1.00 6.76 ? 195 GLY A CA 1 -ATOM 1483 C C . GLY A 1 237 ? -5.109 48.813 22.523 1.00 7.02 ? 195 GLY A C 1 -ATOM 1484 O O . GLY A 1 237 ? -3.904 49.059 22.452 1.00 8.28 ? 195 GLY A O 1 -ATOM 1485 N N . TRP A 1 238 ? -5.642 47.613 22.694 1.00 8.95 ? 196 TRP A N 1 -ATOM 1486 C CA . TRP A 1 238 ? -4.802 46.409 22.858 1.00 9.13 ? 196 TRP A CA 1 -ATOM 1487 C C . TRP A 1 238 ? -4.219 46.109 21.481 1.00 8.39 ? 196 TRP A C 1 -ATOM 1488 O O . TRP A 1 238 ? -3.004 45.998 21.283 1.00 9.71 ? 196 TRP A O 1 -ATOM 1489 C CB . TRP A 1 238 ? -5.645 45.263 23.415 1.00 9.51 ? 196 TRP A CB 1 -ATOM 1490 C CG . TRP A 1 238 ? -4.899 43.953 23.476 1.00 8.75 ? 196 TRP A CG 1 -ATOM 1491 C CD1 . TRP A 1 238 ? -5.031 42.883 22.645 1.00 10.49 ? 196 TRP A CD1 1 -ATOM 1492 C CD2 . TRP A 1 238 ? -3.898 43.600 24.437 1.00 8.59 ? 196 TRP A CD2 1 -ATOM 1493 N NE1 . TRP A 1 238 ? -4.175 41.868 23.041 1.00 10.07 ? 196 TRP A NE1 1 -ATOM 1494 C CE2 . TRP A 1 238 ? -3.472 42.292 24.137 1.00 11.18 ? 196 TRP A CE2 1 -ATOM 1495 C CE3 . TRP A 1 238 ? -3.334 44.260 25.532 1.00 9.38 ? 196 TRP A CE3 1 -ATOM 1496 C CZ2 . TRP A 1 238 ? -2.489 41.644 24.888 1.00 12.57 ? 196 TRP A CZ2 1 -ATOM 1497 C CZ3 . TRP A 1 238 ? -2.367 43.608 26.291 1.00 12.24 ? 196 TRP A CZ3 1 -ATOM 1498 C CH2 . TRP A 1 238 ? -1.954 42.301 25.955 1.00 12.07 ? 196 TRP A CH2 1 -ATOM 1499 N N . VAL A 1 239 ? -5.119 46.041 20.485 1.00 8.53 ? 197 VAL A N 1 -ATOM 1500 C CA . VAL A 1 239 ? -4.652 46.003 19.088 1.00 7.26 ? 197 VAL A CA 1 -ATOM 1501 C C . VAL A 1 239 ? -4.661 47.471 18.642 1.00 9.50 ? 197 VAL A C 1 -ATOM 1502 O O . VAL A 1 239 ? -4.929 48.317 19.508 1.00 9.36 ? 197 VAL A O 1 -ATOM 1503 C CB . VAL A 1 239 ? -5.438 45.092 18.147 1.00 7.91 ? 197 VAL A CB 1 -ATOM 1504 C CG1 . VAL A 1 239 ? -5.284 43.631 18.585 1.00 8.92 ? 197 VAL A CG1 1 -ATOM 1505 C CG2 . VAL A 1 239 ? -6.904 45.477 18.064 1.00 8.72 ? 197 VAL A CG2 1 -ATOM 1506 N N . ILE A 1 240 ? -4.404 47.873 17.407 1.00 7.24 ? 198 ILE A N 1 -ATOM 1507 C CA . ILE A 1 240 ? -4.411 49.311 17.079 1.00 7.71 ? 198 ILE A CA 1 -ATOM 1508 C C . ILE A 1 240 ? -5.777 49.927 17.355 1.00 9.60 ? 198 ILE A C 1 -ATOM 1509 O O . ILE A 1 240 ? -6.779 49.404 16.871 1.00 9.26 ? 198 ILE A O 1 -ATOM 1510 C CB . ILE A 1 240 ? -4.106 49.481 15.573 1.00 10.17 ? 198 ILE A CB 1 -ATOM 1511 C CG1 . ILE A 1 240 ? -2.960 48.593 15.106 1.00 13.48 ? 198 ILE A CG1 1 -ATOM 1512 C CG2 . ILE A 1 240 ? -3.852 50.950 15.237 1.00 7.58 ? 198 ILE A CG2 1 -ATOM 1513 C CD1 . ILE A 1 240 ? -1.645 48.732 15.830 1.00 17.31 ? 198 ILE A CD1 1 -ATOM 1514 N N . PRO A 1 241 ? -5.888 51.052 18.051 1.00 9.52 ? 199 PRO A N 1 -ATOM 1515 C CA . PRO A 1 241 ? -7.167 51.674 18.329 1.00 7.91 ? 199 PRO A CA 1 -ATOM 1516 C C . PRO A 1 241 ? -7.734 52.455 17.156 1.00 10.47 ? 199 PRO A C 1 -ATOM 1517 O O . PRO A 1 241 ? -6.942 53.011 16.398 1.00 11.20 ? 199 PRO A O 1 -ATOM 1518 C CB . PRO A 1 241 ? -6.876 52.662 19.468 1.00 8.34 ? 199 PRO A CB 1 -ATOM 1519 C CG . PRO A 1 241 ? -5.423 52.990 19.297 1.00 8.34 ? 199 PRO A CG 1 -ATOM 1520 C CD . PRO A 1 241 ? -4.761 51.771 18.697 1.00 9.23 ? 199 PRO A CD 1 -ATOM 1521 N N . GLU A 1 242 ? -9.058 52.535 17.053 1.00 8.53 ? 200 GLU A N 1 -ATOM 1522 C CA . GLU A 1 242 ? -9.686 53.361 16.025 1.00 9.30 ? 200 GLU A CA 1 -ATOM 1523 C C . GLU A 1 242 ? -10.232 54.639 16.661 1.00 11.17 ? 200 GLU A C 1 -ATOM 1524 O O . GLU A 1 242 ? -10.737 55.516 15.961 1.00 9.38 ? 200 GLU A O 1 -ATOM 1525 C CB . GLU A 1 242 ? -10.761 52.625 15.232 1.00 8.64 ? 200 GLU A CB 1 -ATOM 1526 C CG . GLU A 1 242 ? -12.131 52.502 15.875 1.00 8.87 ? 200 GLU A CG 1 -ATOM 1527 C CD . GLU A 1 242 ? -12.118 51.666 17.138 1.00 12.23 ? 200 GLU A CD 1 -ATOM 1528 O OE1 . GLU A 1 242 ? -12.279 50.432 17.047 1.00 12.38 ? 200 GLU A OE1 1 -ATOM 1529 O OE2 . GLU A 1 242 ? -11.939 52.257 18.224 1.00 11.99 ? 200 GLU A OE2 1 -ATOM 1530 N N . HIS A 1 243 ? -10.134 54.769 17.983 1.00 9.01 ? 201 HIS A N 1 -ATOM 1531 C CA . HIS A 1 243 ? -10.597 55.916 18.752 1.00 7.26 ? 201 HIS A CA 1 -ATOM 1532 C C . HIS A 1 243 ? -12.090 56.171 18.531 1.00 8.84 ? 201 HIS A C 1 -ATOM 1533 O O . HIS A 1 243 ? -12.570 57.307 18.531 1.00 8.16 ? 201 HIS A O 1 -ATOM 1534 C CB . HIS A 1 243 ? -9.770 57.187 18.492 1.00 9.24 ? 201 HIS A CB 1 -ATOM 1535 C CG . HIS A 1 243 ? -8.321 57.063 18.867 1.00 7.99 ? 201 HIS A CG 1 -ATOM 1536 N ND1 . HIS A 1 243 ? -7.277 57.457 18.060 1.00 9.48 ? 201 HIS A ND1 1 -ATOM 1537 C CD2 . HIS A 1 243 ? -7.755 56.566 20.000 1.00 8.96 ? 201 HIS A CD2 1 -ATOM 1538 C CE1 . HIS A 1 243 ? -6.131 57.223 18.672 1.00 9.21 ? 201 HIS A CE1 1 -ATOM 1539 N NE2 . HIS A 1 243 ? -6.388 56.688 19.857 1.00 9.59 ? 201 HIS A NE2 1 -ATOM 1540 N N . GLY A 1 244 ? -12.868 55.092 18.422 1.00 10.37 ? 202 GLY A N 1 -ATOM 1541 C CA . GLY A 1 244 ? -14.289 55.144 18.115 1.00 11.49 ? 202 GLY A CA 1 -ATOM 1542 C C . GLY A 1 244 ? -15.181 55.733 19.185 1.00 10.99 ? 202 GLY A C 1 -ATOM 1543 O O . GLY A 1 244 ? -16.304 56.189 18.894 1.00 11.24 ? 202 GLY A O 1 -ATOM 1544 N N . ALA A 1 245 ? -14.706 55.788 20.428 1.00 8.73 ? 203 ALA A N 1 -ATOM 1545 C CA . ALA A 1 245 ? -15.523 56.393 21.486 1.00 8.97 ? 203 ALA A CA 1 -ATOM 1546 C C . ALA A 1 245 ? -15.712 57.896 21.296 1.00 10.11 ? 203 ALA A C 1 -ATOM 1547 O O . ALA A 1 245 ? -16.749 58.405 21.728 1.00 10.37 ? 203 ALA A O 1 -ATOM 1548 C CB . ALA A 1 245 ? -14.860 56.157 22.839 1.00 10.23 ? 203 ALA A CB 1 -ATOM 1549 N N . TYR A 1 246 ? -14.754 58.606 20.704 1.00 9.89 ? 204 TYR A N 1 -ATOM 1550 C CA . TYR A 1 246 ? -14.811 60.060 20.599 1.00 10.91 ? 204 TYR A CA 1 -ATOM 1551 C C . TYR A 1 246 ? -15.964 60.587 19.784 1.00 11.11 ? 204 TYR A C 1 -ATOM 1552 O O . TYR A 1 246 ? -16.751 61.385 20.314 1.00 10.18 ? 204 TYR A O 1 -ATOM 1553 C CB . TYR A 1 246 ? -13.437 60.625 20.210 1.00 9.25 ? 204 TYR A CB 1 -ATOM 1554 C CG . TYR A 1 246 ? -12.404 60.291 21.276 1.00 8.01 ? 204 TYR A CG 1 -ATOM 1555 C CD1 . TYR A 1 246 ? -12.263 61.073 22.419 1.00 9.47 ? 204 TYR A CD1 1 -ATOM 1556 C CD2 . TYR A 1 246 ? -11.579 59.182 21.120 1.00 7.73 ? 204 TYR A CD2 1 -ATOM 1557 C CE1 . TYR A 1 246 ? -11.321 60.768 23.382 1.00 11.15 ? 204 TYR A CE1 1 -ATOM 1558 C CE2 . TYR A 1 246 ? -10.641 58.868 22.096 1.00 6.96 ? 204 TYR A CE2 1 -ATOM 1559 C CZ . TYR A 1 246 ? -10.511 59.654 23.212 1.00 10.01 ? 204 TYR A CZ 1 -ATOM 1560 O OH . TYR A 1 246 ? -9.586 59.333 24.172 1.00 10.07 ? 204 TYR A OH 1 -ATOM 1561 N N . PRO A 1 247 ? -16.199 60.092 18.575 1.00 11.37 ? 205 PRO A N 1 -ATOM 1562 C CA . PRO A 1 247 ? -17.382 60.459 17.804 1.00 11.98 ? 205 PRO A CA 1 -ATOM 1563 C C . PRO A 1 247 ? -18.637 60.067 18.579 1.00 13.56 ? 205 PRO A C 1 -ATOM 1564 O O . PRO A 1 247 ? -19.633 60.793 18.571 1.00 14.62 ? 205 PRO A O 1 -ATOM 1565 C CB . PRO A 1 247 ? -17.253 59.714 16.493 1.00 13.14 ? 205 PRO A CB 1 -ATOM 1566 C CG . PRO A 1 247 ? -15.831 59.260 16.418 1.00 14.58 ? 205 PRO A CG 1 -ATOM 1567 C CD . PRO A 1 247 ? -15.331 59.153 17.831 1.00 13.36 ? 205 PRO A CD 1 -ATOM 1568 N N . GLY A 1 248 ? -18.628 58.912 19.254 1.00 13.46 ? 206 GLY A N 1 -ATOM 1569 C CA . GLY A 1 248 ? -19.752 58.471 20.072 1.00 12.88 ? 206 GLY A CA 1 -ATOM 1570 C C . GLY A 1 248 ? -20.086 59.446 21.192 1.00 12.48 ? 206 GLY A C 1 -ATOM 1571 O O . GLY A 1 248 ? -21.263 59.798 21.402 1.00 13.69 ? 206 GLY A O 1 -ATOM 1572 N N . LEU A 1 249 ? -19.074 59.907 21.925 1.00 10.85 ? 207 LEU A N 1 -ATOM 1573 C CA . LEU A 1 249 ? -19.270 60.881 22.993 1.00 11.36 ? 207 LEU A CA 1 -ATOM 1574 C C . LEU A 1 249 ? -19.750 62.223 22.455 1.00 12.00 ? 207 LEU A C 1 -ATOM 1575 O O . LEU A 1 249 ? -20.659 62.839 23.020 1.00 12.45 ? 207 LEU A O 1 -ATOM 1576 C CB . LEU A 1 249 ? -17.985 61.084 23.807 1.00 10.87 ? 207 LEU A CB 1 -ATOM 1577 C CG . LEU A 1 249 ? -17.464 59.814 24.498 1.00 14.37 ? 207 LEU A CG 1 -ATOM 1578 C CD1 . LEU A 1 249 ? -16.074 60.061 25.078 1.00 15.36 ? 207 LEU A CD1 1 -ATOM 1579 C CD2 . LEU A 1 249 ? -18.428 59.354 25.584 1.00 14.29 ? 207 LEU A CD2 1 -ATOM 1580 N N . GLU A 1 250 ? -19.190 62.660 21.326 1.00 13.23 ? 208 GLU A N 1 -ATOM 1581 C CA . GLU A 1 250 ? -19.619 63.907 20.692 1.00 12.40 ? 208 GLU A CA 1 -ATOM 1582 C C . GLU A 1 250 ? -21.086 63.864 20.285 1.00 11.45 ? 208 GLU A C 1 -ATOM 1583 O O . GLU A 1 250 ? -21.809 64.854 20.450 1.00 13.21 ? 208 GLU A O 1 -ATOM 1584 C CB . GLU A 1 250 ? -18.745 64.172 19.450 1.00 14.03 ? 208 GLU A CB 1 -ATOM 1585 C CG . GLU A 1 250 ? -17.318 64.503 19.862 1.00 17.44 ? 208 GLU A CG 1 -ATOM 1586 C CD . GLU A 1 250 ? -16.345 64.579 18.708 1.00 18.75 ? 208 GLU A CD 1 -ATOM 1587 O OE1 . GLU A 1 250 ? -16.784 64.633 17.545 1.00 23.36 ? 208 GLU A OE1 1 -ATOM 1588 O OE2 . GLU A 1 250 ? -15.134 64.589 18.986 1.00 20.67 ? 208 GLU A OE2 1 -ATOM 1589 N N . ALA A 1 251 ? -21.562 62.728 19.763 1.00 9.68 ? 209 ALA A N 1 -ATOM 1590 C CA . ALA A 1 251 ? -22.976 62.636 19.387 1.00 13.03 ? 209 ALA A CA 1 -ATOM 1591 C C . ALA A 1 251 ? -23.896 62.737 20.603 1.00 14.86 ? 209 ALA A C 1 -ATOM 1592 O O . ALA A 1 251 ? -24.995 63.310 20.500 1.00 16.33 ? 209 ALA A O 1 -ATOM 1593 C CB . ALA A 1 251 ? -23.286 61.355 18.631 1.00 12.29 ? 209 ALA A CB 1 -ATOM 1594 N N . LEU A 1 252 ? -23.500 62.175 21.740 1.00 11.89 ? 210 LEU A N 1 -ATOM 1595 C CA . LEU A 1 252 ? -24.315 62.279 22.951 1.00 14.18 ? 210 LEU A CA 1 -ATOM 1596 C C . LEU A 1 252 ? -24.454 63.736 23.383 1.00 14.21 ? 210 LEU A C 1 -ATOM 1597 O O . LEU A 1 252 ? -25.516 64.206 23.795 1.00 14.53 ? 210 LEU A O 1 -ATOM 1598 C CB . LEU A 1 252 ? -23.696 61.492 24.114 1.00 14.11 ? 210 LEU A CB 1 -ATOM 1599 C CG . LEU A 1 252 ? -23.586 59.976 23.971 1.00 17.68 ? 210 LEU A CG 1 -ATOM 1600 C CD1 . LEU A 1 252 ? -23.345 59.329 25.337 1.00 18.26 ? 210 LEU A CD1 1 -ATOM 1601 C CD2 . LEU A 1 252 ? -24.809 59.342 23.329 1.00 17.85 ? 210 LEU A CD2 1 -ATOM 1602 N N . LYS A 1 253 ? -23.338 64.467 23.328 1.00 14.25 ? 211 LYS A N 1 -ATOM 1603 C CA . LYS A 1 253 ? -23.351 65.871 23.698 1.00 14.27 ? 211 LYS A CA 1 -ATOM 1604 C C . LYS A 1 253 ? -24.207 66.686 22.738 1.00 16.91 ? 211 LYS A C 1 -ATOM 1605 O O . LYS A 1 253 ? -24.965 67.539 23.214 1.00 16.48 ? 211 LYS A O 1 -ATOM 1606 C CB . LYS A 1 253 ? -21.951 66.487 23.750 1.00 15.72 ? 211 LYS A CB 1 -ATOM 1607 C CG . LYS A 1 253 ? -21.986 67.854 24.442 1.00 17.64 ? 211 LYS A CG 1 -ATOM 1608 C CD . LYS A 1 253 ? -20.613 68.500 24.356 1.00 18.38 ? 211 LYS A CD 1 -ATOM 1609 C CE . LYS A 1 253 ? -20.658 69.890 24.994 1.00 17.73 ? 211 LYS A CE 1 -ATOM 1610 N NZ . LYS A 1 253 ? -19.278 70.373 25.259 1.00 15.42 ? 211 LYS A NZ 1 -ATOM 1611 N N . ALA A 1 254 ? -24.115 66.410 21.436 1.00 16.31 ? 212 ALA A N 1 -ATOM 1612 C CA . ALA A 1 254 ? -24.917 67.181 20.483 1.00 20.19 ? 212 ALA A CA 1 -ATOM 1613 C C . ALA A 1 254 ? -26.412 66.939 20.665 1.00 21.81 ? 212 ALA A C 1 -ATOM 1614 O O . ALA A 1 254 ? -27.207 67.848 20.409 1.00 22.07 ? 212 ALA A O 1 -ATOM 1615 C CB . ALA A 1 254 ? -24.524 66.870 19.052 1.00 20.76 ? 212 ALA A CB 1 -ATOM 1616 N N . LYS A 1 255 ? -26.802 65.746 21.093 1.00 21.39 ? 213 LYS A N 1 -ATOM 1617 C CA . LYS A 1 255 ? -28.195 65.414 21.336 1.00 25.09 ? 213 LYS A CA 1 -ATOM 1618 C C . LYS A 1 255 ? -28.736 66.030 22.625 1.00 23.29 ? 213 LYS A C 1 -ATOM 1619 O O . LYS A 1 255 ? -29.956 66.013 22.829 1.00 25.53 ? 213 LYS A O 1 -ATOM 1620 C CB . LYS A 1 255 ? -28.398 63.899 21.420 1.00 28.45 ? 213 LYS A CB 1 -ATOM 1621 C CG . LYS A 1 255 ? -28.488 63.172 20.094 1.00 35.25 ? 213 LYS A CG 1 -ATOM 1622 C CD . LYS A 1 255 ? -29.896 63.260 19.518 1.00 39.71 ? 213 LYS A CD 1 -ATOM 1623 C CE . LYS A 1 255 ? -29.988 62.521 18.192 1.00 44.48 ? 213 LYS A CE 1 -ATOM 1624 N NZ . LYS A 1 255 ? -31.304 61.840 18.037 1.00 49.04 ? 213 LYS A NZ 1 -ATOM 1625 N N . GLY A 1 256 ? -27.887 66.485 23.537 1.00 18.38 ? 214 GLY A N 1 -ATOM 1626 C CA . GLY A 1 256 ? -28.352 67.072 24.780 1.00 21.17 ? 214 GLY A CA 1 -ATOM 1627 C C . GLY A 1 256 ? -28.763 66.054 25.838 1.00 20.52 ? 214 GLY A C 1 -ATOM 1628 O O . GLY A 1 256 ? -29.524 66.384 26.744 1.00 21.80 ? 214 GLY A O 1 -ATOM 1629 N N . THR A 1 257 ? -28.281 64.833 25.733 1.00 18.18 ? 215 THR A N 1 -ATOM 1630 C CA . THR A 1 257 ? -28.532 63.762 26.701 1.00 18.62 ? 215 THR A CA 1 -ATOM 1631 C C . THR A 1 257 ? -28.025 64.168 28.078 1.00 19.86 ? 215 THR A C 1 -ATOM 1632 O O . THR A 1 257 ? -26.998 64.846 28.162 1.00 19.58 ? 215 THR A O 1 -ATOM 1633 C CB . THR A 1 257 ? -27.789 62.517 26.180 1.00 18.60 ? 215 THR A CB 1 -ATOM 1634 O OG1 . THR A 1 257 ? -28.521 62.038 25.026 1.00 26.54 ? 215 THR A OG1 1 -ATOM 1635 C CG2 . THR A 1 257 ? -27.671 61.388 27.184 1.00 17.64 ? 215 THR A CG2 1 -ATOM 1636 N N . LYS A 1 258 ? -28.727 63.818 29.156 1.00 16.57 ? 216 LYS A N 1 -ATOM 1637 C CA . LYS A 1 258 ? -28.259 64.179 30.487 1.00 16.77 ? 216 LYS A CA 1 -ATOM 1638 C C . LYS A 1 258 ? -27.096 63.251 30.865 1.00 15.44 ? 216 LYS A C 1 -ATOM 1639 O O . LYS A 1 258 ? -27.268 62.044 30.736 1.00 15.87 ? 216 LYS A O 1 -ATOM 1640 C CB . LYS A 1 258 ? -29.384 64.064 31.510 1.00 20.77 ? 216 LYS A CB 1 -ATOM 1641 C CG . LYS A 1 258 ? -28.891 64.140 32.945 1.00 25.71 ? 216 LYS A CG 1 -ATOM 1642 C CD . LYS A 1 258 ? -29.717 65.077 33.797 1.00 33.06 ? 216 LYS A CD 1 -ATOM 1643 C CE . LYS A 1 258 ? -28.864 66.216 34.344 1.00 36.48 ? 216 LYS A CE 1 -ATOM 1644 N NZ . LYS A 1 258 ? -28.651 66.069 35.809 1.00 37.96 ? 216 LYS A NZ 1 -ATOM 1645 N N . VAL A 1 259 ? -25.965 63.792 31.278 1.00 14.29 ? 217 VAL A N 1 -ATOM 1646 C CA . VAL A 1 259 ? -24.837 62.927 31.637 1.00 13.89 ? 217 VAL A CA 1 -ATOM 1647 C C . VAL A 1 259 ? -24.510 63.062 33.114 1.00 14.11 ? 217 VAL A C 1 -ATOM 1648 O O . VAL A 1 259 ? -24.453 64.176 33.644 1.00 13.36 ? 217 VAL A O 1 -ATOM 1649 C CB . VAL A 1 259 ? -23.580 63.234 30.804 1.00 15.01 ? 217 VAL A CB 1 -ATOM 1650 C CG1 . VAL A 1 259 ? -22.404 62.414 31.321 1.00 14.05 ? 217 VAL A CG1 1 -ATOM 1651 C CG2 . VAL A 1 259 ? -23.822 62.922 29.335 1.00 15.20 ? 217 VAL A CG2 1 -ATOM 1652 N N . ILE A 1 260 ? -24.336 61.930 33.790 1.00 10.88 ? 218 ILE A N 1 -ATOM 1653 C CA . ILE A 1 260 ? -23.969 61.942 35.201 1.00 10.12 ? 218 ILE A CA 1 -ATOM 1654 C C . ILE A 1 260 ? -22.641 61.197 35.345 1.00 9.42 ? 218 ILE A C 1 -ATOM 1655 O O . ILE A 1 260 ? -22.458 60.121 34.764 1.00 12.22 ? 218 ILE A O 1 -ATOM 1656 C CB . ILE A 1 260 ? -25.034 61.349 36.124 1.00 13.28 ? 218 ILE A CB 1 -ATOM 1657 C CG1 . ILE A 1 260 ? -26.312 62.213 36.099 1.00 15.09 ? 218 ILE A CG1 1 -ATOM 1658 C CG2 . ILE A 1 260 ? -24.550 61.227 37.563 1.00 12.82 ? 218 ILE A CG2 1 -ATOM 1659 C CD1 . ILE A 1 260 ? -27.572 61.397 36.269 1.00 18.15 ? 218 ILE A CD1 1 -ATOM 1660 N N . VAL A 1 261 ? -21.699 61.781 36.069 1.00 8.81 ? 219 VAL A N 1 -ATOM 1661 C CA . VAL A 1 261 ? -20.410 61.120 36.303 1.00 8.61 ? 219 VAL A CA 1 -ATOM 1662 C C . VAL A 1 261 ? -20.237 60.872 37.795 1.00 10.73 ? 219 VAL A C 1 -ATOM 1663 O O . VAL A 1 261 ? -20.383 61.773 38.613 1.00 9.69 ? 219 VAL A O 1 -ATOM 1664 C CB . VAL A 1 261 ? -19.220 61.936 35.760 1.00 10.69 ? 219 VAL A CB 1 -ATOM 1665 C CG1 . VAL A 1 261 ? -17.903 61.277 36.154 1.00 11.07 ? 219 VAL A CG1 1 -ATOM 1666 C CG2 . VAL A 1 261 ? -19.287 62.083 34.246 1.00 10.41 ? 219 VAL A CG2 1 -ATOM 1667 N N . ILE A 1 262 ? -19.948 59.630 38.183 1.00 6.76 ? 220 ILE A N 1 -ATOM 1668 C CA . ILE A 1 262 ? -19.750 59.265 39.589 1.00 7.41 ? 220 ILE A CA 1 -ATOM 1669 C C . ILE A 1 262 ? -18.276 58.891 39.730 1.00 9.13 ? 220 ILE A C 1 -ATOM 1670 O O . ILE A 1 262 ? -17.832 57.829 39.288 1.00 9.82 ? 220 ILE A O 1 -ATOM 1671 C CB . ILE A 1 262 ? -20.690 58.130 40.027 1.00 10.79 ? 220 ILE A CB 1 -ATOM 1672 C CG1 . ILE A 1 262 ? -22.155 58.515 39.770 1.00 15.22 ? 220 ILE A CG1 1 -ATOM 1673 C CG2 . ILE A 1 262 ? -20.480 57.807 41.500 1.00 10.42 ? 220 ILE A CG2 1 -ATOM 1674 C CD1 . ILE A 1 262 ? -23.179 57.452 40.122 1.00 18.69 ? 220 ILE A CD1 1 -ATOM 1675 N N . ASP A 1 263 ? -17.511 59.823 40.289 1.00 7.49 ? 221 ASP A N 1 -ATOM 1676 C CA . ASP A 1 263 ? -16.050 59.684 40.364 1.00 9.22 ? 221 ASP A CA 1 -ATOM 1677 C C . ASP A 1 263 ? -15.518 60.683 41.374 1.00 10.38 ? 221 ASP A C 1 -ATOM 1678 O O . ASP A 1 263 ? -15.946 61.839 41.347 1.00 9.45 ? 221 ASP A O 1 -ATOM 1679 C CB . ASP A 1 263 ? -15.553 60.040 38.954 1.00 6.62 ? 221 ASP A CB 1 -ATOM 1680 C CG . ASP A 1 263 ? -14.100 59.743 38.651 1.00 8.69 ? 221 ASP A CG 1 -ATOM 1681 O OD1 . ASP A 1 263 ? -13.220 59.942 39.505 1.00 8.10 ? 221 ASP A OD1 1 -ATOM 1682 O OD2 . ASP A 1 263 ? -13.797 59.308 37.521 1.00 10.16 ? 221 ASP A OD2 1 -ATOM 1683 N N . PRO A 1 264 ? -14.549 60.332 42.202 1.00 12.48 ? 222 PRO A N 1 -ATOM 1684 C CA . PRO A 1 264 ? -13.942 61.236 43.161 1.00 12.18 ? 222 PRO A CA 1 -ATOM 1685 C C . PRO A 1 264 ? -13.164 62.396 42.553 1.00 12.20 ? 222 PRO A C 1 -ATOM 1686 O O . PRO A 1 264 ? -12.775 63.350 43.233 1.00 12.34 ? 222 PRO A O 1 -ATOM 1687 C CB . PRO A 1 264 ? -12.964 60.351 43.943 1.00 15.32 ? 222 PRO A CB 1 -ATOM 1688 C CG . PRO A 1 264 ? -12.704 59.173 43.069 1.00 14.14 ? 222 PRO A CG 1 -ATOM 1689 C CD . PRO A 1 264 ? -13.961 58.965 42.263 1.00 12.41 ? 222 PRO A CD 1 -ATOM 1690 N N . VAL A 1 265 ? -12.858 62.329 41.264 1.00 9.74 ? 223 VAL A N 1 -ATOM 1691 C CA . VAL A 1 265 ? -12.093 63.314 40.527 1.00 11.04 ? 223 VAL A CA 1 -ATOM 1692 C C . VAL A 1 265 ? -12.918 63.981 39.433 1.00 11.82 ? 223 VAL A C 1 -ATOM 1693 O O . VAL A 1 265 ? -13.715 63.367 38.723 1.00 12.38 ? 223 VAL A O 1 -ATOM 1694 C CB . VAL A 1 265 ? -10.858 62.631 39.888 1.00 10.85 ? 223 VAL A CB 1 -ATOM 1695 C CG1 . VAL A 1 265 ? -9.987 63.583 39.090 1.00 12.18 ? 223 VAL A CG1 1 -ATOM 1696 C CG2 . VAL A 1 265 ? -9.996 61.956 40.953 1.00 10.86 ? 223 VAL A CG2 1 -ATOM 1697 N N . ARG A 1 266 ? -12.730 65.294 39.271 1.00 10.42 ? 224 ARG A N 1 -ATOM 1698 C CA . ARG A 1 266 ? -13.385 66.048 38.202 1.00 10.45 ? 224 ARG A CA 1 -ATOM 1699 C C . ARG A 1 266 ? -12.575 65.825 36.930 1.00 11.40 ? 224 ARG A C 1 -ATOM 1700 O O . ARG A 1 266 ? -11.581 66.521 36.699 1.00 16.63 ? 224 ARG A O 1 -ATOM 1701 C CB . ARG A 1 266 ? -13.432 67.541 38.551 1.00 10.99 ? 224 ARG A CB 1 -ATOM 1702 C CG . ARG A 1 266 ? -14.136 68.341 37.445 1.00 17.37 ? 224 ARG A CG 1 -ATOM 1703 C CD . ARG A 1 266 ? -14.200 69.819 37.792 1.00 20.42 ? 224 ARG A CD 1 -ATOM 1704 N NE . ARG A 1 266 ? -12.895 70.460 37.736 1.00 25.43 ? 224 ARG A NE 1 -ATOM 1705 C CZ . ARG A 1 266 ? -12.381 71.182 38.732 1.00 26.94 ? 224 ARG A CZ 1 -ATOM 1706 N NH1 . ARG A 1 266 ? -13.058 71.350 39.860 1.00 26.20 ? 224 ARG A NH1 1 -ATOM 1707 N NH2 . ARG A 1 266 ? -11.184 71.739 38.587 1.00 27.82 ? 224 ARG A NH2 1 -ATOM 1708 N N . THR A 1 267 ? -12.925 64.802 36.164 1.00 10.19 ? 225 THR A N 1 -ATOM 1709 C CA . THR A 1 267 ? -12.143 64.418 34.990 1.00 10.11 ? 225 THR A CA 1 -ATOM 1710 C C . THR A 1 267 ? -12.488 65.209 33.745 1.00 10.35 ? 225 THR A C 1 -ATOM 1711 O O . THR A 1 267 ? -13.469 65.962 33.733 1.00 9.02 ? 225 THR A O 1 -ATOM 1712 C CB . THR A 1 267 ? -12.410 62.922 34.708 1.00 7.61 ? 225 THR A CB 1 -ATOM 1713 O OG1 . THR A 1 267 ? -13.817 62.741 34.493 1.00 8.37 ? 225 THR A OG1 1 -ATOM 1714 C CG2 . THR A 1 267 ? -11.996 62.046 35.891 1.00 8.79 ? 225 THR A CG2 1 -ATOM 1715 N N . LYS A 1 268 ? -11.776 64.944 32.644 1.00 9.77 ? 226 LYS A N 1 -ATOM 1716 C CA . LYS A 1 268 ? -12.111 65.557 31.368 1.00 10.81 ? 226 LYS A CA 1 -ATOM 1717 C C . LYS A 1 268 ? -13.481 65.059 30.906 1.00 10.34 ? 226 LYS A C 1 -ATOM 1718 O O . LYS A 1 268 ? -14.158 65.767 30.164 1.00 9.16 ? 226 LYS A O 1 -ATOM 1719 C CB . LYS A 1 268 ? -11.112 65.267 30.249 1.00 11.33 ? 226 LYS A CB 1 -ATOM 1720 C CG . LYS A 1 268 ? -9.735 65.874 30.399 1.00 18.93 ? 226 LYS A CG 1 -ATOM 1721 C CD . LYS A 1 268 ? -9.088 66.050 29.002 1.00 15.53 ? 226 LYS A CD 1 -ATOM 1722 C CE . LYS A 1 268 ? -7.710 66.644 29.182 1.00 21.00 ? 226 LYS A CE 1 -ATOM 1723 N NZ . LYS A 1 268 ? -7.196 66.606 30.569 1.00 27.31 ? 226 LYS A NZ 1 -ATOM 1724 N N . THR A 1 269 ? -13.888 63.849 31.315 1.00 9.04 ? 227 THR A N 1 -ATOM 1725 C CA . THR A 1 269 ? -15.225 63.391 30.960 1.00 7.92 ? 227 THR A CA 1 -ATOM 1726 C C . THR A 1 269 ? -16.286 64.318 31.561 1.00 10.05 ? 227 THR A C 1 -ATOM 1727 O O . THR A 1 269 ? -17.266 64.667 30.902 1.00 11.10 ? 227 THR A O 1 -ATOM 1728 C CB . THR A 1 269 ? -15.463 61.942 31.409 1.00 10.70 ? 227 THR A CB 1 -ATOM 1729 O OG1 . THR A 1 269 ? -14.530 61.116 30.687 1.00 10.55 ? 227 THR A OG1 1 -ATOM 1730 C CG2 . THR A 1 269 ? -16.888 61.529 31.069 1.00 10.26 ? 227 THR A CG2 1 -ATOM 1731 N N . VAL A 1 270 ? -16.131 64.707 32.819 1.00 9.54 ? 228 VAL A N 1 -ATOM 1732 C CA . VAL A 1 270 ? -17.020 65.653 33.470 1.00 10.77 ? 228 VAL A CA 1 -ATOM 1733 C C . VAL A 1 270 ? -17.008 66.983 32.710 1.00 10.07 ? 228 VAL A C 1 -ATOM 1734 O O . VAL A 1 270 ? -18.067 67.505 32.361 1.00 13.16 ? 228 VAL A O 1 -ATOM 1735 C CB . VAL A 1 270 ? -16.616 65.927 34.936 1.00 11.49 ? 228 VAL A CB 1 -ATOM 1736 C CG1 . VAL A 1 270 ? -17.481 67.037 35.529 1.00 15.07 ? 228 VAL A CG1 1 -ATOM 1737 C CG2 . VAL A 1 270 ? -16.727 64.667 35.792 1.00 10.50 ? 228 VAL A CG2 1 -ATOM 1738 N N . GLU A 1 271 ? -15.821 67.513 32.432 1.00 11.67 ? 229 GLU A N 1 -ATOM 1739 C CA . GLU A 1 271 ? -15.692 68.810 31.764 1.00 14.86 ? 229 GLU A CA 1 -ATOM 1740 C C . GLU A 1 271 ? -16.253 68.837 30.359 1.00 14.98 ? 229 GLU A C 1 -ATOM 1741 O O . GLU A 1 271 ? -16.902 69.821 29.962 1.00 14.57 ? 229 GLU A O 1 -ATOM 1742 C CB . GLU A 1 271 ? -14.210 69.249 31.809 1.00 18.50 ? 229 GLU A CB 1 -ATOM 1743 C CG . GLU A 1 271 ? -13.721 69.399 33.244 1.00 26.24 ? 229 GLU A CG 1 -ATOM 1744 C CD . GLU A 1 271 ? -12.252 69.232 33.520 1.00 31.43 ? 229 GLU A CD 1 -ATOM 1745 O OE1 . GLU A 1 271 ? -11.473 68.742 32.678 1.00 32.81 ? 229 GLU A OE1 1 -ATOM 1746 O OE2 . GLU A 1 271 ? -11.808 69.599 34.639 1.00 34.68 ? 229 GLU A OE2 1 -ATOM 1747 N N . PHE A 1 272 ? -16.102 67.766 29.573 1.00 12.48 ? 230 PHE A N 1 -ATOM 1748 C CA . PHE A 1 272 ? -16.594 67.769 28.197 1.00 10.89 ? 230 PHE A CA 1 -ATOM 1749 C C . PHE A 1 272 ? -18.108 67.869 28.126 1.00 14.51 ? 230 PHE A C 1 -ATOM 1750 O O . PHE A 1 272 ? -18.655 68.581 27.276 1.00 15.66 ? 230 PHE A O 1 -ATOM 1751 C CB . PHE A 1 272 ? -16.066 66.537 27.435 1.00 12.56 ? 230 PHE A CB 1 -ATOM 1752 C CG . PHE A 1 272 ? -16.676 66.406 26.065 1.00 14.09 ? 230 PHE A CG 1 -ATOM 1753 C CD1 . PHE A 1 272 ? -16.227 67.216 25.028 1.00 14.85 ? 230 PHE A CD1 1 -ATOM 1754 C CD2 . PHE A 1 272 ? -17.673 65.491 25.811 1.00 11.61 ? 230 PHE A CD2 1 -ATOM 1755 C CE1 . PHE A 1 272 ? -16.778 67.113 23.764 1.00 15.47 ? 230 PHE A CE1 1 -ATOM 1756 C CE2 . PHE A 1 272 ? -18.225 65.384 24.544 1.00 15.45 ? 230 PHE A CE2 1 -ATOM 1757 C CZ . PHE A 1 272 ? -17.782 66.195 23.517 1.00 13.74 ? 230 PHE A CZ 1 -ATOM 1758 N N . PHE A 1 273 ? -18.817 67.173 29.016 1.00 11.64 ? 231 PHE A N 1 -ATOM 1759 C CA . PHE A 1 273 ? -20.266 67.206 29.027 1.00 11.38 ? 231 PHE A CA 1 -ATOM 1760 C C . PHE A 1 273 ? -20.862 68.250 29.960 1.00 12.91 ? 231 PHE A C 1 -ATOM 1761 O O . PHE A 1 273 ? -22.090 68.383 29.982 1.00 16.14 ? 231 PHE A O 1 -ATOM 1762 C CB . PHE A 1 273 ? -20.801 65.833 29.481 1.00 10.38 ? 231 PHE A CB 1 -ATOM 1763 C CG . PHE A 1 273 ? -20.562 64.722 28.495 1.00 11.42 ? 231 PHE A CG 1 -ATOM 1764 C CD1 . PHE A 1 273 ? -21.288 64.659 27.315 1.00 11.72 ? 231 PHE A CD1 1 -ATOM 1765 C CD2 . PHE A 1 273 ? -19.616 63.748 28.754 1.00 9.80 ? 231 PHE A CD2 1 -ATOM 1766 C CE1 . PHE A 1 273 ? -21.083 63.632 26.414 1.00 15.08 ? 231 PHE A CE1 1 -ATOM 1767 C CE2 . PHE A 1 273 ? -19.417 62.710 27.849 1.00 14.67 ? 231 PHE A CE2 1 -ATOM 1768 C CZ . PHE A 1 273 ? -20.144 62.652 26.681 1.00 12.99 ? 231 PHE A CZ 1 -ATOM 1769 N N . GLY A 1 274 ? -20.075 68.883 30.824 1.00 15.43 ? 232 GLY A N 1 -ATOM 1770 C CA . GLY A 1 274 ? -20.661 69.771 31.853 1.00 15.42 ? 232 GLY A CA 1 -ATOM 1771 C C . GLY A 1 274 ? -21.588 68.902 32.715 1.00 17.40 ? 232 GLY A C 1 -ATOM 1772 O O . GLY A 1 274 ? -22.692 69.262 33.133 1.00 16.66 ? 232 GLY A O 1 -ATOM 1773 N N . ALA A 1 275 ? -21.117 67.694 33.020 1.00 13.68 ? 233 ALA A N 1 -ATOM 1774 C CA . ALA A 1 275 ? -21.926 66.690 33.673 1.00 12.31 ? 233 ALA A CA 1 -ATOM 1775 C C . ALA A 1 275 ? -22.229 66.973 35.133 1.00 13.63 ? 233 ALA A C 1 -ATOM 1776 O O . ALA A 1 275 ? -21.454 67.621 35.837 1.00 13.75 ? 233 ALA A O 1 -ATOM 1777 C CB . ALA A 1 275 ? -21.207 65.330 33.546 1.00 10.51 ? 233 ALA A CB 1 -ATOM 1778 N N . GLU A 1 276 ? -23.347 66.400 35.573 1.00 13.22 ? 234 GLU A N 1 -ATOM 1779 C CA . GLU A 1 276 ? -23.692 66.414 36.994 1.00 13.48 ? 234 GLU A CA 1 -ATOM 1780 C C . GLU A 1 276 ? -22.653 65.475 37.623 1.00 14.65 ? 234 GLU A C 1 -ATOM 1781 O O . GLU A 1 276 ? -22.500 64.341 37.174 1.00 13.95 ? 234 GLU A O 1 -ATOM 1782 C CB . GLU A 1 276 ? -25.107 65.909 37.226 1.00 19.30 ? 234 GLU A CB 1 -ATOM 1783 C CG . GLU A 1 276 ? -25.395 65.554 38.676 1.00 25.01 ? 234 GLU A CG 1 -ATOM 1784 C CD . GLU A 1 276 ? -26.869 65.344 38.961 1.00 29.37 ? 234 GLU A CD 1 -ATOM 1785 O OE1 . GLU A 1 276 ? -27.664 65.247 38.004 1.00 29.93 ? 234 GLU A OE1 1 -ATOM 1786 O OE2 . GLU A 1 276 ? -27.222 65.279 40.158 1.00 30.89 ? 234 GLU A OE2 1 -ATOM 1787 N N . HIS A 1 277 ? -21.915 65.968 38.595 1.00 12.17 ? 235 HIS A N 1 -ATOM 1788 C CA . HIS A 1 277 ? -20.802 65.237 39.177 1.00 11.65 ? 235 HIS A CA 1 -ATOM 1789 C C . HIS A 1 277 ? -21.006 64.839 40.627 1.00 14.42 ? 235 HIS A C 1 -ATOM 1790 O O . HIS A 1 277 ? -21.095 65.676 41.529 1.00 12.46 ? 235 HIS A O 1 -ATOM 1791 C CB . HIS A 1 277 ? -19.569 66.135 39.044 1.00 11.26 ? 235 HIS A CB 1 -ATOM 1792 C CG . HIS A 1 277 ? -18.297 65.480 39.472 1.00 11.70 ? 235 HIS A CG 1 -ATOM 1793 N ND1 . HIS A 1 277 ? -17.201 66.213 39.841 1.00 10.54 ? 235 HIS A ND1 1 -ATOM 1794 C CD2 . HIS A 1 277 ? -17.953 64.171 39.586 1.00 10.44 ? 235 HIS A CD2 1 -ATOM 1795 C CE1 . HIS A 1 277 ? -16.215 65.383 40.163 1.00 13.13 ? 235 HIS A CE1 1 -ATOM 1796 N NE2 . HIS A 1 277 ? -16.650 64.138 40.019 1.00 11.86 ? 235 HIS A NE2 1 -ATOM 1797 N N . ILE A 1 278 ? -21.038 63.534 40.841 1.00 11.56 ? 236 ILE A N 1 -ATOM 1798 C CA . ILE A 1 278 ? -21.220 62.952 42.174 1.00 13.70 ? 236 ILE A CA 1 -ATOM 1799 C C . ILE A 1 278 ? -19.868 62.447 42.659 1.00 14.58 ? 236 ILE A C 1 -ATOM 1800 O O . ILE A 1 278 ? -19.197 61.741 41.895 1.00 11.92 ? 236 ILE A O 1 -ATOM 1801 C CB . ILE A 1 278 ? -22.207 61.774 42.098 1.00 14.36 ? 236 ILE A CB 1 -ATOM 1802 C CG1 . ILE A 1 278 ? -23.543 62.165 41.470 1.00 17.88 ? 236 ILE A CG1 1 -ATOM 1803 C CG2 . ILE A 1 278 ? -22.400 61.155 43.478 1.00 15.21 ? 236 ILE A CG2 1 -ATOM 1804 C CD1 . ILE A 1 278 ? -24.238 63.364 42.078 1.00 18.70 ? 236 ILE A CD1 1 -ATOM 1805 N N . THR A 1 279 ? -19.436 62.810 43.860 1.00 11.54 ? 237 THR A N 1 -ATOM 1806 C CA . THR A 1 279 ? -18.114 62.404 44.337 1.00 12.56 ? 237 THR A CA 1 -ATOM 1807 C C . THR A 1 279 ? -18.189 61.558 45.599 1.00 14.52 ? 237 THR A C 1 -ATOM 1808 O O . THR A 1 279 ? -18.257 62.080 46.712 1.00 15.53 ? 237 THR A O 1 -ATOM 1809 C CB . THR A 1 279 ? -17.264 63.662 44.648 1.00 13.86 ? 237 THR A CB 1 -ATOM 1810 O OG1 . THR A 1 279 ? -17.983 64.459 45.603 1.00 14.17 ? 237 THR A OG1 1 -ATOM 1811 C CG2 . THR A 1 279 ? -17.021 64.483 43.389 1.00 11.68 ? 237 THR A CG2 1 -ATOM 1812 N N . PRO A 1 280 ? -18.209 60.237 45.460 1.00 14.70 ? 238 PRO A N 1 -ATOM 1813 C CA . PRO A 1 280 ? -18.267 59.350 46.605 1.00 12.13 ? 238 PRO A CA 1 -ATOM 1814 C C . PRO A 1 280 ? -16.895 59.184 47.227 1.00 11.46 ? 238 PRO A C 1 -ATOM 1815 O O . PRO A 1 280 ? -15.900 59.311 46.506 1.00 10.84 ? 238 PRO A O 1 -ATOM 1816 C CB . PRO A 1 280 ? -18.751 58.034 45.985 1.00 15.92 ? 238 PRO A CB 1 -ATOM 1817 C CG . PRO A 1 280 ? -18.260 58.054 44.580 1.00 18.54 ? 238 PRO A CG 1 -ATOM 1818 C CD . PRO A 1 280 ? -18.106 59.501 44.176 1.00 16.71 ? 238 PRO A CD 1 -ATOM 1819 N N . LYS A 1 281 ? -16.812 58.906 48.533 1.00 10.51 ? 239 LYS A N 1 -ATOM 1820 C CA . LYS A 1 281 ? -15.477 58.569 49.062 1.00 10.66 ? 239 LYS A CA 1 -ATOM 1821 C C . LYS A 1 281 ? -15.123 57.271 48.332 1.00 11.58 ? 239 LYS A C 1 -ATOM 1822 O O . LYS A 1 281 ? -15.978 56.401 48.173 1.00 11.29 ? 239 LYS A O 1 -ATOM 1823 C CB . LYS A 1 281 ? -15.543 58.336 50.568 1.00 13.54 ? 239 LYS A CB 1 -ATOM 1824 C CG . LYS A 1 281 ? -15.990 59.578 51.334 1.00 16.03 ? 239 LYS A CG 1 -ATOM 1825 C CD . LYS A 1 281 ? -16.065 59.339 52.843 1.00 16.32 ? 239 LYS A CD 1 -ATOM 1826 C CE . LYS A 1 281 ? -16.472 60.650 53.518 1.00 20.63 ? 239 LYS A CE 1 -ATOM 1827 N NZ . LYS A 1 281 ? -16.573 60.495 54.991 1.00 23.08 ? 239 LYS A NZ 1 -ATOM 1828 N N . PRO A 1 282 ? -13.908 57.145 47.843 1.00 11.34 ? 240 PRO A N 1 -ATOM 1829 C CA . PRO A 1 282 ? -13.499 55.944 47.121 1.00 9.19 ? 240 PRO A CA 1 -ATOM 1830 C C . PRO A 1 282 ? -13.744 54.707 47.950 1.00 10.53 ? 240 PRO A C 1 -ATOM 1831 O O . PRO A 1 282 ? -13.528 54.652 49.169 1.00 9.73 ? 240 PRO A O 1 -ATOM 1832 C CB . PRO A 1 282 ? -12.018 56.204 46.829 1.00 8.01 ? 240 PRO A CB 1 -ATOM 1833 C CG . PRO A 1 282 ? -11.986 57.702 46.697 1.00 8.14 ? 240 PRO A CG 1 -ATOM 1834 C CD . PRO A 1 282 ? -12.813 58.145 47.904 1.00 10.21 ? 240 PRO A CD 1 -ATOM 1835 N N . GLN A 1 283 ? -14.182 53.643 47.303 1.00 9.17 ? 241 GLN A N 1 -ATOM 1836 C CA . GLN A 1 283 ? -14.504 52.336 47.840 1.00 10.13 ? 241 GLN A CA 1 -ATOM 1837 C C . GLN A 1 283 ? -15.888 52.244 48.478 1.00 10.40 ? 241 GLN A C 1 -ATOM 1838 O O . GLN A 1 283 ? -16.187 51.249 49.155 1.00 11.85 ? 241 GLN A O 1 -ATOM 1839 C CB . GLN A 1 283 ? -13.447 51.823 48.816 1.00 9.65 ? 241 GLN A CB 1 -ATOM 1840 C CG . GLN A 1 283 ? -12.028 51.796 48.233 1.00 10.48 ? 241 GLN A CG 1 -ATOM 1841 C CD . GLN A 1 283 ? -11.074 51.156 49.223 1.00 12.57 ? 241 GLN A CD 1 -ATOM 1842 O OE1 . GLN A 1 283 ? -10.470 51.814 50.062 1.00 14.55 ? 241 GLN A OE1 1 -ATOM 1843 N NE2 . GLN A 1 283 ? -10.995 49.850 49.085 1.00 6.48 ? 241 GLN A NE2 1 -ATOM 1844 N N . THR A 1 284 ? -16.761 53.233 48.296 1.00 8.09 ? 242 THR A N 1 -ATOM 1845 C CA . THR A 1 284 ? -18.095 53.161 48.890 1.00 7.78 ? 242 THR A CA 1 -ATOM 1846 C C . THR A 1 284 ? -19.212 53.077 47.863 1.00 10.48 ? 242 THR A C 1 -ATOM 1847 O O . THR A 1 284 ? -20.396 53.181 48.226 1.00 11.88 ? 242 THR A O 1 -ATOM 1848 C CB . THR A 1 284 ? -18.364 54.352 49.837 1.00 8.03 ? 242 THR A CB 1 -ATOM 1849 O OG1 . THR A 1 284 ? -18.355 55.561 49.069 1.00 9.31 ? 242 THR A OG1 1 -ATOM 1850 C CG2 . THR A 1 284 ? -17.273 54.495 50.898 1.00 8.88 ? 242 THR A CG2 1 -ATOM 1851 N N . ASP A 1 285 ? -18.904 52.845 46.589 1.00 9.86 ? 243 ASP A N 1 -ATOM 1852 C CA . ASP A 1 285 ? -19.943 52.766 45.565 1.00 9.73 ? 243 ASP A CA 1 -ATOM 1853 C C . ASP A 1 285 ? -20.996 51.701 45.840 1.00 9.60 ? 243 ASP A C 1 -ATOM 1854 O O . ASP A 1 285 ? -22.173 51.900 45.515 1.00 9.95 ? 243 ASP A O 1 -ATOM 1855 C CB . ASP A 1 285 ? -19.310 52.497 44.192 1.00 10.69 ? 243 ASP A CB 1 -ATOM 1856 C CG . ASP A 1 285 ? -18.390 53.651 43.819 1.00 11.58 ? 243 ASP A CG 1 -ATOM 1857 O OD1 . ASP A 1 285 ? -17.225 53.643 44.265 1.00 14.26 ? 243 ASP A OD1 1 -ATOM 1858 O OD2 . ASP A 1 285 ? -18.851 54.560 43.103 1.00 11.24 ? 243 ASP A OD2 1 -ATOM 1859 N N . VAL A 1 286 ? -20.603 50.555 46.386 1.00 9.06 ? 244 VAL A N 1 -ATOM 1860 C CA . VAL A 1 286 ? -21.598 49.511 46.679 1.00 11.01 ? 244 VAL A CA 1 -ATOM 1861 C C . VAL A 1 286 ? -22.605 50.002 47.718 1.00 9.15 ? 244 VAL A C 1 -ATOM 1862 O O . VAL A 1 286 ? -23.794 49.713 47.594 1.00 9.25 ? 244 VAL A O 1 -ATOM 1863 C CB . VAL A 1 286 ? -20.930 48.218 47.147 1.00 11.06 ? 244 VAL A CB 1 -ATOM 1864 C CG1 . VAL A 1 286 ? -21.940 47.261 47.772 1.00 12.71 ? 244 VAL A CG1 1 -ATOM 1865 C CG2 . VAL A 1 286 ? -20.248 47.537 45.950 1.00 8.77 ? 244 VAL A CG2 1 -ATOM 1866 N N . ALA A 1 287 ? -22.152 50.777 48.705 1.00 10.11 ? 245 ALA A N 1 -ATOM 1867 C CA . ALA A 1 287 ? -23.104 51.331 49.677 1.00 10.28 ? 245 ALA A CA 1 -ATOM 1868 C C . ALA A 1 287 ? -24.101 52.240 48.972 1.00 10.96 ? 245 ALA A C 1 -ATOM 1869 O O . ALA A 1 287 ? -25.303 52.201 49.234 1.00 10.83 ? 245 ALA A O 1 -ATOM 1870 C CB . ALA A 1 287 ? -22.376 52.085 50.773 1.00 10.65 ? 245 ALA A CB 1 -ATOM 1871 N N . ILE A 1 288 ? -23.642 53.104 48.063 1.00 10.03 ? 246 ILE A N 1 -ATOM 1872 C CA . ILE A 1 288 ? -24.515 53.977 47.303 1.00 12.16 ? 246 ILE A CA 1 -ATOM 1873 C C . ILE A 1 288 ? -25.520 53.187 46.476 1.00 12.32 ? 246 ILE A C 1 -ATOM 1874 O O . ILE A 1 288 ? -26.706 53.527 46.421 1.00 11.56 ? 246 ILE A O 1 -ATOM 1875 C CB . ILE A 1 288 ? -23.697 54.895 46.372 1.00 16.34 ? 246 ILE A CB 1 -ATOM 1876 C CG1 . ILE A 1 288 ? -22.950 55.929 47.227 1.00 16.82 ? 246 ILE A CG1 1 -ATOM 1877 C CG2 . ILE A 1 288 ? -24.575 55.569 45.334 1.00 15.47 ? 246 ILE A CG2 1 -ATOM 1878 C CD1 . ILE A 1 288 ? -21.757 56.527 46.498 1.00 19.04 ? 246 ILE A CD1 1 -ATOM 1879 N N . MET A 1 289 ? -25.063 52.118 45.814 1.00 9.61 ? 247 MET A N 1 -ATOM 1880 C CA . MET A 1 289 ? -25.983 51.310 45.012 1.00 7.85 ? 247 MET A CA 1 -ATOM 1881 C C . MET A 1 289 ? -27.051 50.654 45.877 1.00 10.33 ? 247 MET A C 1 -ATOM 1882 O O . MET A 1 289 ? -28.204 50.533 45.456 1.00 10.68 ? 247 MET A O 1 -ATOM 1883 C CB . MET A 1 289 ? -25.196 50.239 44.244 1.00 8.56 ? 247 MET A CB 1 -ATOM 1884 C CG . MET A 1 289 ? -24.271 50.809 43.163 1.00 11.09 ? 247 MET A CG 1 -ATOM 1885 S SD . MET A 1 289 ? -23.341 49.430 42.438 1.00 14.77 ? 247 MET A SD 1 -ATOM 1886 C CE . MET A 1 289 ? -21.793 50.213 41.995 1.00 17.07 ? 247 MET A CE 1 -ATOM 1887 N N . LEU A 1 290 ? -26.678 50.215 47.082 1.00 12.80 ? 248 LEU A N 1 -ATOM 1888 C CA . LEU A 1 290 ? -27.646 49.599 47.995 1.00 12.35 ? 248 LEU A CA 1 -ATOM 1889 C C . LEU A 1 290 ? -28.650 50.646 48.463 1.00 13.71 ? 248 LEU A C 1 -ATOM 1890 O O . LEU A 1 290 ? -29.855 50.358 48.497 1.00 13.62 ? 248 LEU A O 1 -ATOM 1891 C CB . LEU A 1 290 ? -26.961 48.955 49.196 1.00 11.69 ? 248 LEU A CB 1 -ATOM 1892 C CG . LEU A 1 290 ? -26.195 47.655 48.967 1.00 11.67 ? 248 LEU A CG 1 -ATOM 1893 C CD1 . LEU A 1 290 ? -25.230 47.395 50.124 1.00 10.71 ? 248 LEU A CD1 1 -ATOM 1894 C CD2 . LEU A 1 290 ? -27.147 46.471 48.797 1.00 9.91 ? 248 LEU A CD2 1 -ATOM 1895 N N . GLY A 1 291 ? -28.194 51.872 48.730 1.00 12.34 ? 249 GLY A N 1 -ATOM 1896 C CA . GLY A 1 291 ? -29.159 52.924 49.112 1.00 12.40 ? 249 GLY A CA 1 -ATOM 1897 C C . GLY A 1 291 ? -30.144 53.209 47.982 1.00 13.62 ? 249 GLY A C 1 -ATOM 1898 O O . GLY A 1 291 ? -31.334 53.464 48.205 1.00 15.72 ? 249 GLY A O 1 -ATOM 1899 N N . MET A 1 292 ? -29.699 53.183 46.728 1.00 11.69 ? 250 MET A N 1 -ATOM 1900 C CA . MET A 1 292 ? -30.567 53.400 45.582 1.00 11.14 ? 250 MET A CA 1 -ATOM 1901 C C . MET A 1 292 ? -31.594 52.277 45.468 1.00 14.17 ? 250 MET A C 1 -ATOM 1902 O O . MET A 1 292 ? -32.797 52.492 45.279 1.00 13.15 ? 250 MET A O 1 -ATOM 1903 C CB . MET A 1 292 ? -29.730 53.455 44.297 1.00 11.20 ? 250 MET A CB 1 -ATOM 1904 C CG . MET A 1 292 ? -28.897 54.732 44.181 1.00 14.54 ? 250 MET A CG 1 -ATOM 1905 S SD . MET A 1 292 ? -27.991 54.687 42.612 1.00 17.78 ? 250 MET A SD 1 -ATOM 1906 C CE . MET A 1 292 ? -27.123 56.257 42.695 1.00 18.97 ? 250 MET A CE 1 -ATOM 1907 N N . ALA A 1 293 ? -31.129 51.039 45.589 1.00 10.91 ? 251 ALA A N 1 -ATOM 1908 C CA . ALA A 1 293 ? -31.992 49.864 45.543 1.00 13.53 ? 251 ALA A CA 1 -ATOM 1909 C C . ALA A 1 293 ? -33.028 49.878 46.665 1.00 13.81 ? 251 ALA A C 1 -ATOM 1910 O O . ALA A 1 293 ? -34.203 49.595 46.442 1.00 16.21 ? 251 ALA A O 1 -ATOM 1911 C CB . ALA A 1 293 ? -31.127 48.607 45.689 1.00 14.23 ? 251 ALA A CB 1 -ATOM 1912 N N . HIS A 1 294 ? -32.605 50.260 47.870 1.00 14.25 ? 252 HIS A N 1 -ATOM 1913 C CA . HIS A 1 294 ? -33.514 50.352 49.012 1.00 15.62 ? 252 HIS A CA 1 -ATOM 1914 C C . HIS A 1 294 ? -34.606 51.372 48.718 1.00 16.56 ? 252 HIS A C 1 -ATOM 1915 O O . HIS A 1 294 ? -35.797 51.107 48.902 1.00 17.14 ? 252 HIS A O 1 -ATOM 1916 C CB . HIS A 1 294 ? -32.765 50.713 50.300 1.00 17.42 ? 252 HIS A CB 1 -ATOM 1917 C CG . HIS A 1 294 ? -33.711 50.762 51.468 1.00 18.97 ? 252 HIS A CG 1 -ATOM 1918 N ND1 . HIS A 1 294 ? -34.507 51.857 51.729 1.00 18.87 ? 252 HIS A ND1 1 -ATOM 1919 C CD2 . HIS A 1 294 ? -33.999 49.837 52.410 1.00 20.03 ? 252 HIS A CD2 1 -ATOM 1920 C CE1 . HIS A 1 294 ? -35.242 51.605 52.804 1.00 19.07 ? 252 HIS A CE1 1 -ATOM 1921 N NE2 . HIS A 1 294 ? -34.951 50.388 53.240 1.00 18.75 ? 252 HIS A NE2 1 -ATOM 1922 N N . THR A 1 295 ? -34.213 52.521 48.173 1.00 14.50 ? 253 THR A N 1 -ATOM 1923 C CA . THR A 1 295 ? -35.177 53.550 47.785 1.00 16.98 ? 253 THR A CA 1 -ATOM 1924 C C . THR A 1 295 ? -36.182 53.023 46.780 1.00 16.82 ? 253 THR A C 1 -ATOM 1925 O O . THR A 1 295 ? -37.399 53.218 46.931 1.00 15.48 ? 253 THR A O 1 -ATOM 1926 C CB . THR A 1 295 ? -34.442 54.776 47.200 1.00 16.18 ? 253 THR A CB 1 -ATOM 1927 O OG1 . THR A 1 295 ? -33.563 55.294 48.208 1.00 17.71 ? 253 THR A OG1 1 -ATOM 1928 C CG2 . THR A 1 295 ? -35.414 55.855 46.769 1.00 19.51 ? 253 THR A CG2 1 -ATOM 1929 N N . LEU A 1 296 ? -35.716 52.288 45.759 1.00 13.87 ? 254 LEU A N 1 -ATOM 1930 C CA . LEU A 1 296 ? -36.623 51.737 44.760 1.00 15.04 ? 254 LEU A CA 1 -ATOM 1931 C C . LEU A 1 296 ? -37.631 50.749 45.349 1.00 14.95 ? 254 LEU A C 1 -ATOM 1932 O O . LEU A 1 296 ? -38.750 50.624 44.832 1.00 15.56 ? 254 LEU A O 1 -ATOM 1933 C CB . LEU A 1 296 ? -35.837 51.061 43.634 1.00 18.36 ? 254 LEU A CB 1 -ATOM 1934 C CG . LEU A 1 296 ? -34.939 51.970 42.789 1.00 19.40 ? 254 LEU A CG 1 -ATOM 1935 C CD1 . LEU A 1 296 ? -34.097 51.133 41.831 1.00 21.46 ? 254 LEU A CD1 1 -ATOM 1936 C CD2 . LEU A 1 296 ? -35.765 52.997 42.034 1.00 20.84 ? 254 LEU A CD2 1 -ATOM 1937 N N . VAL A 1 297 ? -37.238 50.023 46.380 1.00 15.44 ? 255 VAL A N 1 -ATOM 1938 C CA . VAL A 1 297 ? -38.117 49.055 47.027 1.00 17.53 ? 255 VAL A CA 1 -ATOM 1939 C C . VAL A 1 297 ? -39.110 49.761 47.950 1.00 18.88 ? 255 VAL A C 1 -ATOM 1940 O O . VAL A 1 297 ? -40.322 49.526 47.891 1.00 18.85 ? 255 VAL A O 1 -ATOM 1941 C CB . VAL A 1 297 ? -37.304 48.012 47.803 1.00 19.32 ? 255 VAL A CB 1 -ATOM 1942 C CG1 . VAL A 1 297 ? -38.212 47.219 48.733 1.00 20.24 ? 255 VAL A CG1 1 -ATOM 1943 C CG2 . VAL A 1 297 ? -36.570 47.106 46.819 1.00 15.14 ? 255 VAL A CG2 1 -ATOM 1944 N N . ALA A 1 298 ? -38.605 50.671 48.767 1.00 18.17 ? 256 ALA A N 1 -ATOM 1945 C CA . ALA A 1 298 ? -39.416 51.439 49.702 1.00 20.92 ? 256 ALA A CA 1 -ATOM 1946 C C . ALA A 1 298 ? -40.481 52.292 49.035 1.00 21.32 ? 256 ALA A C 1 -ATOM 1947 O O . ALA A 1 298 ? -41.578 52.460 49.582 1.00 23.94 ? 256 ALA A O 1 -ATOM 1948 C CB . ALA A 1 298 ? -38.506 52.337 50.542 1.00 20.47 ? 256 ALA A CB 1 -ATOM 1949 N N . GLU A 1 299 ? -40.195 52.864 47.866 1.00 20.41 ? 257 GLU A N 1 -ATOM 1950 C CA . GLU A 1 299 ? -41.170 53.696 47.168 1.00 19.44 ? 257 GLU A CA 1 -ATOM 1951 C C . GLU A 1 299 ? -41.935 52.877 46.142 1.00 21.27 ? 257 GLU A C 1 -ATOM 1952 O O . GLU A 1 299 ? -42.701 53.402 45.328 1.00 22.51 ? 257 GLU A O 1 -ATOM 1953 C CB . GLU A 1 299 ? -40.513 54.951 46.574 1.00 20.07 ? 257 GLU A CB 1 -ATOM 1954 C CG . GLU A 1 299 ? -39.819 55.777 47.649 1.00 20.22 ? 257 GLU A CG 1 -ATOM 1955 C CD . GLU A 1 299 ? -39.159 57.057 47.218 1.00 21.85 ? 257 GLU A CD 1 -ATOM 1956 O OE1 . GLU A 1 299 ? -39.245 57.483 46.049 1.00 24.66 ? 257 GLU A OE1 1 -ATOM 1957 O OE2 . GLU A 1 299 ? -38.521 57.707 48.079 1.00 24.53 ? 257 GLU A OE2 1 -ATOM 1958 N N . ASP A 1 300 ? -41.706 51.560 46.136 1.00 21.19 ? 258 ASP A N 1 -ATOM 1959 C CA . ASP A 1 300 ? -42.385 50.641 45.240 1.00 21.32 ? 258 ASP A CA 1 -ATOM 1960 C C . ASP A 1 300 ? -42.280 51.036 43.780 1.00 22.07 ? 258 ASP A C 1 -ATOM 1961 O O . ASP A 1 300 ? -43.249 50.983 43.022 1.00 19.09 ? 258 ASP A O 1 -ATOM 1962 C CB . ASP A 1 300 ? -43.864 50.552 45.662 1.00 26.83 ? 258 ASP A CB 1 -ATOM 1963 C CG . ASP A 1 300 ? -44.465 49.216 45.256 1.00 29.92 ? 258 ASP A CG 1 -ATOM 1964 O OD1 . ASP A 1 300 ? -43.729 48.208 45.261 1.00 30.34 ? 258 ASP A OD1 1 -ATOM 1965 O OD2 . ASP A 1 300 ? -45.666 49.196 44.916 1.00 33.62 ? 258 ASP A OD2 1 -ATOM 1966 N N . LEU A 1 301 ? -41.079 51.433 43.350 1.00 18.76 ? 259 LEU A N 1 -ATOM 1967 C CA . LEU A 1 301 ? -40.863 51.889 41.990 1.00 18.10 ? 259 LEU A CA 1 -ATOM 1968 C C . LEU A 1 301 ? -40.219 50.861 41.068 1.00 18.36 ? 259 LEU A C 1 -ATOM 1969 O O . LEU A 1 301 ? -40.318 50.992 39.851 1.00 17.44 ? 259 LEU A O 1 -ATOM 1970 C CB . LEU A 1 301 ? -39.908 53.096 42.045 1.00 18.13 ? 259 LEU A CB 1 -ATOM 1971 C CG . LEU A 1 301 ? -40.403 54.360 42.749 1.00 21.42 ? 259 LEU A CG 1 -ATOM 1972 C CD1 . LEU A 1 301 ? -39.249 55.324 42.987 1.00 20.45 ? 259 LEU A CD1 1 -ATOM 1973 C CD2 . LEU A 1 301 ? -41.493 55.047 41.938 1.00 23.73 ? 259 LEU A CD2 1 -ATOM 1974 N N . TYR A 1 302 ? -39.510 49.888 41.630 1.00 17.76 ? 260 TYR A N 1 -ATOM 1975 C CA . TYR A 1 302 ? -38.737 48.964 40.797 1.00 18.58 ? 260 TYR A CA 1 -ATOM 1976 C C . TYR A 1 302 ? -39.570 48.103 39.873 1.00 19.08 ? 260 TYR A C 1 -ATOM 1977 O O . TYR A 1 302 ? -40.783 47.943 40.029 1.00 17.52 ? 260 TYR A O 1 -ATOM 1978 C CB . TYR A 1 302 ? -37.792 48.152 41.670 1.00 17.75 ? 260 TYR A CB 1 -ATOM 1979 C CG . TYR A 1 302 ? -38.371 47.010 42.462 1.00 17.27 ? 260 TYR A CG 1 -ATOM 1980 C CD1 . TYR A 1 302 ? -39.074 47.223 43.637 1.00 18.37 ? 260 TYR A CD1 1 -ATOM 1981 C CD2 . TYR A 1 302 ? -38.203 45.697 42.038 1.00 18.87 ? 260 TYR A CD2 1 -ATOM 1982 C CE1 . TYR A 1 302 ? -39.599 46.175 44.372 1.00 19.59 ? 260 TYR A CE1 1 -ATOM 1983 C CE2 . TYR A 1 302 ? -38.714 44.637 42.761 1.00 20.38 ? 260 TYR A CE2 1 -ATOM 1984 C CZ . TYR A 1 302 ? -39.411 44.886 43.926 1.00 20.80 ? 260 TYR A CZ 1 -ATOM 1985 O OH . TYR A 1 302 ? -39.919 43.824 44.639 1.00 23.42 ? 260 TYR A OH 1 -ATOM 1986 N N . ASP A 1 303 ? -38.917 47.564 38.838 1.00 15.38 ? 261 ASP A N 1 -ATOM 1987 C CA . ASP A 1 303 ? -39.619 46.746 37.850 1.00 17.55 ? 261 ASP A CA 1 -ATOM 1988 C C . ASP A 1 303 ? -39.820 45.323 38.342 1.00 19.48 ? 261 ASP A C 1 -ATOM 1989 O O . ASP A 1 303 ? -38.979 44.431 38.174 1.00 14.21 ? 261 ASP A O 1 -ATOM 1990 C CB . ASP A 1 303 ? -38.855 46.809 36.527 1.00 17.10 ? 261 ASP A CB 1 -ATOM 1991 C CG . ASP A 1 303 ? -39.663 46.308 35.346 1.00 18.26 ? 261 ASP A CG 1 -ATOM 1992 O OD1 . ASP A 1 303 ? -40.564 45.463 35.531 1.00 18.25 ? 261 ASP A OD1 1 -ATOM 1993 O OD2 . ASP A 1 303 ? -39.396 46.757 34.219 1.00 21.66 ? 261 ASP A OD2 1 -ATOM 1994 N N . LYS A 1 304 ? -40.988 45.047 38.950 1.00 17.31 ? 262 LYS A N 1 -ATOM 1995 C CA . LYS A 1 304 ? -41.261 43.704 39.463 1.00 19.38 ? 262 LYS A CA 1 -ATOM 1996 C C . LYS A 1 304 ? -41.374 42.647 38.373 1.00 18.38 ? 262 LYS A C 1 -ATOM 1997 O O . LYS A 1 304 ? -41.032 41.479 38.604 1.00 18.41 ? 262 LYS A O 1 -ATOM 1998 C CB . LYS A 1 304 ? -42.559 43.702 40.282 1.00 23.42 ? 262 LYS A CB 1 -ATOM 1999 C CG . LYS A 1 304 ? -42.422 44.481 41.582 1.00 26.96 ? 262 LYS A CG 1 -ATOM 2000 C CD . LYS A 1 304 ? -43.755 44.519 42.314 1.00 32.66 ? 262 LYS A CD 1 -ATOM 2001 C CE . LYS A 1 304 ? -44.131 45.954 42.662 1.00 36.66 ? 262 LYS A CE 1 -ATOM 2002 N NZ . LYS A 1 304 ? -44.495 46.057 44.104 1.00 40.25 ? 262 LYS A NZ 1 -ATOM 2003 N N . ASP A 1 305 ? -41.853 43.018 37.191 1.00 17.74 ? 263 ASP A N 1 -ATOM 2004 C CA . ASP A 1 305 ? -41.985 42.083 36.083 1.00 18.50 ? 263 ASP A CA 1 -ATOM 2005 C C . ASP A 1 305 ? -40.619 41.673 35.537 1.00 18.45 ? 263 ASP A C 1 -ATOM 2006 O O . ASP A 1 305 ? -40.400 40.488 35.251 1.00 19.02 ? 263 ASP A O 1 -ATOM 2007 C CB . ASP A 1 305 ? -42.841 42.658 34.951 1.00 23.43 ? 263 ASP A CB 1 -ATOM 2008 C CG . ASP A 1 305 ? -44.273 42.917 35.392 1.00 28.18 ? 263 ASP A CG 1 -ATOM 2009 O OD1 . ASP A 1 305 ? -44.889 42.029 36.016 1.00 28.99 ? 263 ASP A OD1 1 -ATOM 2010 O OD2 . ASP A 1 305 ? -44.786 44.024 35.123 1.00 30.21 ? 263 ASP A OD2 1 -ATOM 2011 N N . PHE A 1 306 ? -39.703 42.641 35.399 1.00 16.25 ? 264 PHE A N 1 -ATOM 2012 C CA . PHE A 1 306 ? -38.365 42.267 34.934 1.00 14.73 ? 264 PHE A CA 1 -ATOM 2013 C C . PHE A 1 306 ? -37.727 41.313 35.942 1.00 15.42 ? 264 PHE A C 1 -ATOM 2014 O O . PHE A 1 306 ? -37.166 40.273 35.571 1.00 15.65 ? 264 PHE A O 1 -ATOM 2015 C CB . PHE A 1 306 ? -37.450 43.471 34.697 1.00 15.79 ? 264 PHE A CB 1 -ATOM 2016 C CG . PHE A 1 306 ? -36.140 43.007 34.100 1.00 14.51 ? 264 PHE A CG 1 -ATOM 2017 C CD1 . PHE A 1 306 ? -35.110 42.581 34.916 1.00 16.71 ? 264 PHE A CD1 1 -ATOM 2018 C CD2 . PHE A 1 306 ? -35.971 42.978 32.729 1.00 17.73 ? 264 PHE A CD2 1 -ATOM 2019 C CE1 . PHE A 1 306 ? -33.912 42.146 34.379 1.00 15.68 ? 264 PHE A CE1 1 -ATOM 2020 C CE2 . PHE A 1 306 ? -34.774 42.538 32.179 1.00 17.47 ? 264 PHE A CE2 1 -ATOM 2021 C CZ . PHE A 1 306 ? -33.754 42.117 33.010 1.00 17.16 ? 264 PHE A CZ 1 -ATOM 2022 N N . ILE A 1 307 ? -37.796 41.658 37.226 1.00 13.08 ? 265 ILE A N 1 -ATOM 2023 C CA . ILE A 1 307 ? -37.215 40.810 38.266 1.00 13.62 ? 265 ILE A CA 1 -ATOM 2024 C C . ILE A 1 307 ? -37.813 39.411 38.227 1.00 17.22 ? 265 ILE A C 1 -ATOM 2025 O O . ILE A 1 307 ? -37.080 38.418 38.286 1.00 17.96 ? 265 ILE A O 1 -ATOM 2026 C CB . ILE A 1 307 ? -37.404 41.436 39.662 1.00 15.01 ? 265 ILE A CB 1 -ATOM 2027 C CG1 . ILE A 1 307 ? -36.514 42.657 39.866 1.00 16.55 ? 265 ILE A CG1 1 -ATOM 2028 C CG2 . ILE A 1 307 ? -37.154 40.407 40.760 1.00 14.34 ? 265 ILE A CG2 1 -ATOM 2029 C CD1 . ILE A 1 307 ? -35.029 42.432 39.674 1.00 18.16 ? 265 ILE A CD1 1 -ATOM 2030 N N . ALA A 1 308 ? -39.137 39.295 38.106 1.00 14.62 ? 266 ALA A N 1 -ATOM 2031 C CA . ALA A 1 308 ? -39.788 37.992 38.113 1.00 17.31 ? 266 ALA A CA 1 -ATOM 2032 C C . ALA A 1 308 ? -39.446 37.087 36.941 1.00 19.08 ? 266 ALA A C 1 -ATOM 2033 O O . ALA A 1 308 ? -39.348 35.874 37.122 1.00 19.53 ? 266 ALA A O 1 -ATOM 2034 C CB . ALA A 1 308 ? -41.315 38.163 38.122 1.00 17.15 ? 266 ALA A CB 1 -ATOM 2035 N N . ASN A 1 309 ? -39.320 37.642 35.744 1.00 18.42 ? 267 ASN A N 1 -ATOM 2036 C CA . ASN A 1 309 ? -39.113 36.849 34.556 1.00 20.18 ? 267 ASN A CA 1 -ATOM 2037 C C . ASN A 1 309 ? -37.676 36.687 34.106 1.00 18.67 ? 267 ASN A C 1 -ATOM 2038 O O . ASN A 1 309 ? -37.451 35.777 33.305 1.00 17.61 ? 267 ASN A O 1 -ATOM 2039 C CB . ASN A 1 309 ? -39.896 37.505 33.395 1.00 24.53 ? 267 ASN A CB 1 -ATOM 2040 C CG . ASN A 1 309 ? -41.390 37.462 33.680 1.00 29.95 ? 267 ASN A CG 1 -ATOM 2041 O OD1 . ASN A 1 309 ? -41.946 36.397 33.940 1.00 32.33 ? 267 ASN A OD1 1 -ATOM 2042 N ND2 . ASN A 1 309 ? -42.040 38.615 33.652 1.00 33.09 ? 267 ASN A ND2 1 -ATOM 2043 N N . TYR A 1 310 ? -36.769 37.572 34.500 1.00 14.61 ? 268 TYR A N 1 -ATOM 2044 C CA . TYR A 1 310 ? -35.403 37.501 33.975 1.00 13.83 ? 268 TYR A CA 1 -ATOM 2045 C C . TYR A 1 310 ? -34.311 37.304 35.012 1.00 13.98 ? 268 TYR A C 1 -ATOM 2046 O O . TYR A 1 310 ? -33.123 37.259 34.658 1.00 14.07 ? 268 TYR A O 1 -ATOM 2047 C CB . TYR A 1 310 ? -35.129 38.819 33.228 1.00 15.86 ? 268 TYR A CB 1 -ATOM 2048 C CG . TYR A 1 310 ? -36.023 39.035 32.027 1.00 17.26 ? 268 TYR A CG 1 -ATOM 2049 C CD1 . TYR A 1 310 ? -35.748 38.424 30.809 1.00 16.37 ? 268 TYR A CD1 1 -ATOM 2050 C CD2 . TYR A 1 310 ? -37.150 39.843 32.121 1.00 17.86 ? 268 TYR A CD2 1 -ATOM 2051 C CE1 . TYR A 1 310 ? -36.563 38.620 29.713 1.00 17.53 ? 268 TYR A CE1 1 -ATOM 2052 C CE2 . TYR A 1 310 ? -37.979 40.039 31.029 1.00 20.48 ? 268 TYR A CE2 1 -ATOM 2053 C CZ . TYR A 1 310 ? -37.679 39.429 29.831 1.00 19.82 ? 268 TYR A CZ 1 -ATOM 2054 O OH . TYR A 1 310 ? -38.491 39.620 28.738 1.00 18.90 ? 268 TYR A OH 1 -ATOM 2055 N N . THR A 1 311 ? -34.649 37.247 36.300 1.00 11.27 ? 269 THR A N 1 -ATOM 2056 C CA . THR A 1 311 ? -33.637 37.107 37.335 1.00 13.67 ? 269 THR A CA 1 -ATOM 2057 C C . THR A 1 311 ? -33.952 35.944 38.279 1.00 16.97 ? 269 THR A C 1 -ATOM 2058 O O . THR A 1 311 ? -35.073 35.440 38.324 1.00 14.96 ? 269 THR A O 1 -ATOM 2059 C CB . THR A 1 311 ? -33.444 38.358 38.209 1.00 15.05 ? 269 THR A CB 1 -ATOM 2060 O OG1 . THR A 1 311 ? -34.550 38.483 39.131 1.00 14.29 ? 269 THR A OG1 1 -ATOM 2061 C CG2 . THR A 1 311 ? -33.344 39.660 37.420 1.00 16.14 ? 269 THR A CG2 1 -ATOM 2062 N N . SER A 1 312 ? -32.926 35.549 39.031 1.00 14.46 ? 270 SER A N 1 -ATOM 2063 C CA . SER A 1 312 ? -33.088 34.515 40.040 1.00 15.28 ? 270 SER A CA 1 -ATOM 2064 C C . SER A 1 312 ? -32.481 34.956 41.362 1.00 15.54 ? 270 SER A C 1 -ATOM 2065 O O . SER A 1 312 ? -31.363 35.496 41.399 1.00 16.32 ? 270 SER A O 1 -ATOM 2066 C CB . SER A 1 312 ? -32.445 33.185 39.607 1.00 17.92 ? 270 SER A CB 1 -ATOM 2067 O OG . SER A 1 312 ? -32.645 32.213 40.633 1.00 19.49 ? 270 SER A OG 1 -ATOM 2068 N N . GLY A 1 313 ? -33.197 34.726 42.465 1.00 15.16 ? 271 GLY A N 1 -ATOM 2069 C CA . GLY A 1 313 ? -32.663 35.014 43.774 1.00 14.21 ? 271 GLY A CA 1 -ATOM 2070 C C . GLY A 1 313 ? -32.942 36.353 44.403 1.00 14.21 ? 271 GLY A C 1 -ATOM 2071 O O . GLY A 1 313 ? -32.431 36.622 45.502 1.00 14.14 ? 271 GLY A O 1 -ATOM 2072 N N . PHE A 1 314 ? -33.791 37.179 43.810 1.00 14.41 ? 272 PHE A N 1 -ATOM 2073 C CA . PHE A 1 314 ? -34.101 38.487 44.390 1.00 17.02 ? 272 PHE A CA 1 -ATOM 2074 C C . PHE A 1 314 ? -34.765 38.329 45.750 1.00 17.35 ? 272 PHE A C 1 -ATOM 2075 O O . PHE A 1 314 ? -34.434 39.059 46.688 1.00 17.85 ? 272 PHE A O 1 -ATOM 2076 C CB . PHE A 1 314 ? -34.952 39.324 43.443 1.00 19.58 ? 272 PHE A CB 1 -ATOM 2077 C CG . PHE A 1 314 ? -35.138 40.742 43.913 1.00 21.00 ? 272 PHE A CG 1 -ATOM 2078 C CD1 . PHE A 1 314 ? -34.122 41.670 43.778 1.00 22.52 ? 272 PHE A CD1 1 -ATOM 2079 C CD2 . PHE A 1 314 ? -36.332 41.131 44.503 1.00 21.87 ? 272 PHE A CD2 1 -ATOM 2080 C CE1 . PHE A 1 314 ? -34.291 42.974 44.217 1.00 22.09 ? 272 PHE A CE1 1 -ATOM 2081 C CE2 . PHE A 1 314 ? -36.513 42.429 44.936 1.00 22.44 ? 272 PHE A CE2 1 -ATOM 2082 C CZ . PHE A 1 314 ? -35.487 43.347 44.793 1.00 24.07 ? 272 PHE A CZ 1 -ATOM 2083 N N . ASP A 1 315 ? -35.588 37.307 45.954 1.00 17.43 ? 273 ASP A N 1 -ATOM 2084 C CA . ASP A 1 315 ? -36.205 37.054 47.254 1.00 20.39 ? 273 ASP A CA 1 -ATOM 2085 C C . ASP A 1 315 ? -35.202 36.738 48.351 1.00 22.22 ? 273 ASP A C 1 -ATOM 2086 O O . ASP A 1 315 ? -35.524 36.955 49.528 1.00 21.41 ? 273 ASP A O 1 -ATOM 2087 C CB . ASP A 1 315 ? -37.232 35.921 47.140 1.00 25.50 ? 273 ASP A CB 1 -ATOM 2088 C CG . ASP A 1 315 ? -36.596 34.634 46.654 1.00 29.21 ? 273 ASP A CG 1 -ATOM 2089 O OD1 . ASP A 1 315 ? -36.006 34.631 45.554 1.00 31.76 ? 273 ASP A OD1 1 -ATOM 2090 O OD2 . ASP A 1 315 ? -36.677 33.625 47.381 1.00 34.21 ? 273 ASP A OD2 1 -ATOM 2091 N N . LYS A 1 316 ? -33.994 36.248 48.046 1.00 18.70 ? 274 LYS A N 1 -ATOM 2092 C CA . LYS A 1 316 ? -32.997 36.006 49.077 1.00 18.67 ? 274 LYS A CA 1 -ATOM 2093 C C . LYS A 1 316 ? -32.157 37.254 49.338 1.00 18.86 ? 274 LYS A C 1 -ATOM 2094 O O . LYS A 1 316 ? -31.521 37.373 50.386 1.00 20.68 ? 274 LYS A O 1 -ATOM 2095 C CB . LYS A 1 316 ? -32.104 34.811 48.726 1.00 20.44 ? 274 LYS A CB 1 -ATOM 2096 C CG . LYS A 1 316 ? -32.928 33.545 48.521 1.00 26.09 ? 274 LYS A CG 1 -ATOM 2097 C CD . LYS A 1 316 ? -32.058 32.302 48.469 1.00 32.70 ? 274 LYS A CD 1 -ATOM 2098 C CE . LYS A 1 316 ? -32.901 31.084 48.114 1.00 36.25 ? 274 LYS A CE 1 -ATOM 2099 N NZ . LYS A 1 316 ? -32.439 30.465 46.838 1.00 40.04 ? 274 LYS A NZ 1 -ATOM 2100 N N . PHE A 1 317 ? -32.197 38.214 48.425 1.00 16.64 ? 275 PHE A N 1 -ATOM 2101 C CA . PHE A 1 317 ? -31.488 39.482 48.585 1.00 17.74 ? 275 PHE A CA 1 -ATOM 2102 C C . PHE A 1 317 ? -32.322 40.529 49.306 1.00 17.18 ? 275 PHE A C 1 -ATOM 2103 O O . PHE A 1 317 ? -31.817 41.338 50.089 1.00 17.38 ? 275 PHE A O 1 -ATOM 2104 C CB . PHE A 1 317 ? -31.066 39.960 47.192 1.00 17.93 ? 275 PHE A CB 1 -ATOM 2105 C CG . PHE A 1 317 ? -30.424 41.315 47.132 1.00 16.00 ? 275 PHE A CG 1 -ATOM 2106 C CD1 . PHE A 1 317 ? -29.150 41.506 47.645 1.00 17.00 ? 275 PHE A CD1 1 -ATOM 2107 C CD2 . PHE A 1 317 ? -31.078 42.390 46.558 1.00 16.50 ? 275 PHE A CD2 1 -ATOM 2108 C CE1 . PHE A 1 317 ? -28.539 42.745 47.594 1.00 14.01 ? 275 PHE A CE1 1 -ATOM 2109 C CE2 . PHE A 1 317 ? -30.477 43.632 46.496 1.00 16.75 ? 275 PHE A CE2 1 -ATOM 2110 C CZ . PHE A 1 317 ? -29.204 43.811 47.021 1.00 15.66 ? 275 PHE A CZ 1 -ATOM 2111 N N . LEU A 1 318 ? -33.644 40.520 49.152 1.00 18.32 ? 276 LEU A N 1 -ATOM 2112 C CA . LEU A 1 318 ? -34.548 41.483 49.783 1.00 17.38 ? 276 LEU A CA 1 -ATOM 2113 C C . LEU A 1 318 ? -34.413 41.621 51.287 1.00 17.97 ? 276 LEU A C 1 -ATOM 2114 O O . LEU A 1 318 ? -34.248 42.737 51.803 1.00 19.46 ? 276 LEU A O 1 -ATOM 2115 C CB . LEU A 1 318 ? -35.991 41.210 49.357 1.00 19.71 ? 276 LEU A CB 1 -ATOM 2116 C CG . LEU A 1 318 ? -36.992 42.360 49.325 1.00 26.49 ? 276 LEU A CG 1 -ATOM 2117 C CD1 . LEU A 1 318 ? -36.487 43.566 48.543 1.00 24.66 ? 276 LEU A CD1 1 -ATOM 2118 C CD2 . LEU A 1 318 ? -38.322 41.886 48.729 1.00 27.08 ? 276 LEU A CD2 1 -ATOM 2119 N N . PRO A 1 319 ? -34.376 40.538 52.049 1.00 20.38 ? 277 PRO A N 1 -ATOM 2120 C CA . PRO A 1 319 ? -34.201 40.562 53.490 1.00 21.37 ? 277 PRO A CA 1 -ATOM 2121 C C . PRO A 1 319 ? -32.926 41.260 53.934 1.00 21.67 ? 277 PRO A C 1 -ATOM 2122 O O . PRO A 1 319 ? -32.881 41.901 54.988 1.00 20.63 ? 277 PRO A O 1 -ATOM 2123 C CB . PRO A 1 319 ? -34.157 39.089 53.898 1.00 22.13 ? 277 PRO A CB 1 -ATOM 2124 C CG . PRO A 1 319 ? -34.830 38.350 52.798 1.00 22.94 ? 277 PRO A CG 1 -ATOM 2125 C CD . PRO A 1 319 ? -34.567 39.148 51.551 1.00 22.12 ? 277 PRO A CD 1 -ATOM 2126 N N . TYR A 1 320 ? -31.854 41.106 53.156 1.00 18.83 ? 278 TYR A N 1 -ATOM 2127 C CA . TYR A 1 320 ? -30.580 41.748 53.454 1.00 19.04 ? 278 TYR A CA 1 -ATOM 2128 C C . TYR A 1 320 ? -30.706 43.257 53.256 1.00 16.60 ? 278 TYR A C 1 -ATOM 2129 O O . TYR A 1 320 ? -30.276 44.067 54.074 1.00 16.40 ? 278 TYR A O 1 -ATOM 2130 C CB . TYR A 1 320 ? -29.468 41.213 52.536 1.00 17.01 ? 278 TYR A CB 1 -ATOM 2131 C CG . TYR A 1 320 ? -28.197 42.039 52.608 1.00 14.82 ? 278 TYR A CG 1 -ATOM 2132 C CD1 . TYR A 1 320 ? -27.378 42.007 53.721 1.00 17.03 ? 278 TYR A CD1 1 -ATOM 2133 C CD2 . TYR A 1 320 ? -27.811 42.847 51.541 1.00 16.72 ? 278 TYR A CD2 1 -ATOM 2134 C CE1 . TYR A 1 320 ? -26.216 42.764 53.791 1.00 17.50 ? 278 TYR A CE1 1 -ATOM 2135 C CE2 . TYR A 1 320 ? -26.652 43.603 51.597 1.00 16.15 ? 278 TYR A CE2 1 -ATOM 2136 C CZ . TYR A 1 320 ? -25.862 43.561 52.721 1.00 15.06 ? 278 TYR A CZ 1 -ATOM 2137 O OH . TYR A 1 320 ? -24.709 44.314 52.786 1.00 16.31 ? 278 TYR A OH 1 -ATOM 2138 N N . LEU A 1 321 ? -31.302 43.629 52.123 1.00 16.80 ? 279 LEU A N 1 -ATOM 2139 C CA . LEU A 1 321 ? -31.510 45.030 51.757 1.00 16.77 ? 279 LEU A CA 1 -ATOM 2140 C C . LEU A 1 321 ? -32.367 45.766 52.779 1.00 19.47 ? 279 LEU A C 1 -ATOM 2141 O O . LEU A 1 321 ? -32.106 46.921 53.095 1.00 17.18 ? 279 LEU A O 1 -ATOM 2142 C CB . LEU A 1 321 ? -32.203 45.088 50.398 1.00 16.31 ? 279 LEU A CB 1 -ATOM 2143 C CG . LEU A 1 321 ? -32.364 46.438 49.708 1.00 19.17 ? 279 LEU A CG 1 -ATOM 2144 C CD1 . LEU A 1 321 ? -30.998 46.994 49.311 1.00 17.00 ? 279 LEU A CD1 1 -ATOM 2145 C CD2 . LEU A 1 321 ? -33.264 46.294 48.489 1.00 19.50 ? 279 LEU A CD2 1 -ATOM 2146 N N . ASP A 1 322 ? -33.401 45.099 53.290 1.00 20.76 ? 280 ASP A N 1 -ATOM 2147 C CA . ASP A 1 322 ? -34.298 45.665 54.286 1.00 23.39 ? 280 ASP A CA 1 -ATOM 2148 C C . ASP A 1 322 ? -33.774 45.559 55.710 1.00 25.43 ? 280 ASP A C 1 -ATOM 2149 O O . ASP A 1 322 ? -34.400 46.099 56.638 1.00 25.34 ? 280 ASP A O 1 -ATOM 2150 C CB . ASP A 1 322 ? -35.669 44.983 54.188 1.00 28.00 ? 280 ASP A CB 1 -ATOM 2151 C CG . ASP A 1 322 ? -36.436 45.356 52.939 1.00 33.40 ? 280 ASP A CG 1 -ATOM 2152 O OD1 . ASP A 1 322 ? -36.170 46.431 52.351 1.00 37.20 ? 280 ASP A OD1 1 -ATOM 2153 O OD2 . ASP A 1 322 ? -37.341 44.588 52.543 1.00 35.87 ? 280 ASP A OD2 1 -ATOM 2154 N N . GLY A 1 323 ? -32.656 44.877 55.935 1.00 22.38 ? 281 GLY A N 1 -ATOM 2155 C CA . GLY A 1 323 ? -32.065 44.779 57.255 1.00 25.84 ? 281 GLY A CA 1 -ATOM 2156 C C . GLY A 1 323 ? -32.701 43.760 58.182 1.00 29.13 ? 281 GLY A C 1 -ATOM 2157 O O . GLY A 1 323 ? -32.514 43.833 59.402 1.00 29.48 ? 281 GLY A O 1 -ATOM 2158 N N . GLU A 1 324 ? -33.395 42.773 57.621 1.00 28.43 ? 282 GLU A N 1 -ATOM 2159 C CA . GLU A 1 324 ? -33.992 41.715 58.427 1.00 32.15 ? 282 GLU A CA 1 -ATOM 2160 C C . GLU A 1 324 ? -32.922 40.769 58.968 1.00 32.01 ? 282 GLU A C 1 -ATOM 2161 O O . GLU A 1 324 ? -33.079 40.180 60.034 1.00 33.25 ? 282 GLU A O 1 -ATOM 2162 C CB . GLU A 1 324 ? -34.971 40.887 57.606 1.00 34.32 ? 282 GLU A CB 1 -ATOM 2163 C CG . GLU A 1 324 ? -36.311 41.512 57.276 1.00 39.44 ? 282 GLU A CG 1 -ATOM 2164 C CD . GLU A 1 324 ? -37.121 40.594 56.370 1.00 43.51 ? 282 GLU A CD 1 -ATOM 2165 O OE1 . GLU A 1 324 ? -37.149 39.372 56.647 1.00 45.67 ? 282 GLU A OE1 1 -ATOM 2166 O OE2 . GLU A 1 324 ? -37.712 41.087 55.388 1.00 45.76 ? 282 GLU A OE2 1 -ATOM 2167 N N . THR A 1 325 ? -31.834 40.591 58.230 1.00 30.88 ? 283 THR A N 1 -ATOM 2168 C CA . THR A 1 325 ? -30.758 39.688 58.579 1.00 31.25 ? 283 THR A CA 1 -ATOM 2169 C C . THR A 1 325 ? -29.675 40.259 59.475 1.00 31.79 ? 283 THR A C 1 -ATOM 2170 O O . THR A 1 325 ? -28.932 39.493 60.099 1.00 32.76 ? 283 THR A O 1 -ATOM 2171 C CB . THR A 1 325 ? -30.064 39.195 57.279 1.00 31.55 ? 283 THR A CB 1 -ATOM 2172 O OG1 . THR A 1 325 ? -29.449 40.323 56.639 1.00 30.62 ? 283 THR A OG1 1 -ATOM 2173 C CG2 . THR A 1 325 ? -31.074 38.587 56.322 1.00 32.20 ? 283 THR A CG2 1 -ATOM 2174 N N . ASP A 1 326 ? -29.522 41.578 59.537 1.00 28.62 ? 284 ASP A N 1 -ATOM 2175 C CA . ASP A 1 326 ? -28.434 42.169 60.316 1.00 26.79 ? 284 ASP A CA 1 -ATOM 2176 C C . ASP A 1 326 ? -28.847 43.398 61.101 1.00 27.43 ? 284 ASP A C 1 -ATOM 2177 O O . ASP A 1 326 ? -28.006 44.156 61.592 1.00 28.82 ? 284 ASP A O 1 -ATOM 2178 C CB . ASP A 1 326 ? -27.289 42.523 59.354 1.00 25.98 ? 284 ASP A CB 1 -ATOM 2179 C CG . ASP A 1 326 ? -27.722 43.405 58.196 1.00 23.64 ? 284 ASP A CG 1 -ATOM 2180 O OD1 . ASP A 1 326 ? -28.869 43.891 58.186 1.00 22.03 ? 284 ASP A OD1 1 -ATOM 2181 O OD2 . ASP A 1 326 ? -26.915 43.635 57.267 1.00 22.28 ? 284 ASP A OD2 1 -ATOM 2182 N N . SER A 1 327 ? -30.145 43.685 61.153 1.00 27.11 ? 285 SER A N 1 -ATOM 2183 C CA . SER A 1 327 ? -30.680 44.827 61.873 1.00 30.15 ? 285 SER A CA 1 -ATOM 2184 C C . SER A 1 327 ? -30.246 46.170 61.307 1.00 28.73 ? 285 SER A C 1 -ATOM 2185 O O . SER A 1 327 ? -30.316 47.190 61.996 1.00 28.12 ? 285 SER A O 1 -ATOM 2186 C CB . SER A 1 327 ? -30.276 44.746 63.357 1.00 32.16 ? 285 SER A CB 1 -ATOM 2187 O OG . SER A 1 327 ? -30.935 43.646 63.969 1.00 36.52 ? 285 SER A OG 1 -ATOM 2188 N N . THR A 1 328 ? -29.825 46.211 60.046 1.00 26.77 ? 286 THR A N 1 -ATOM 2189 C CA . THR A 1 328 ? -29.351 47.425 59.417 1.00 24.57 ? 286 THR A CA 1 -ATOM 2190 C C . THR A 1 328 ? -29.921 47.649 58.028 1.00 22.85 ? 286 THR A C 1 -ATOM 2191 O O . THR A 1 328 ? -29.324 47.259 57.020 1.00 20.74 ? 286 THR A O 1 -ATOM 2192 C CB . THR A 1 328 ? -27.813 47.413 59.272 1.00 26.80 ? 286 THR A CB 1 -ATOM 2193 O OG1 . THR A 1 328 ? -27.222 46.934 60.476 1.00 28.06 ? 286 THR A OG1 1 -ATOM 2194 C CG2 . THR A 1 328 ? -27.294 48.810 58.956 1.00 27.29 ? 286 THR A CG2 1 -ATOM 2195 N N . PRO A 1 329 ? -31.091 48.266 57.968 1.00 21.15 ? 287 PRO A N 1 -ATOM 2196 C CA . PRO A 1 329 ? -31.713 48.602 56.695 1.00 19.26 ? 287 PRO A CA 1 -ATOM 2197 C C . PRO A 1 329 ? -30.711 49.410 55.876 1.00 18.62 ? 287 PRO A C 1 -ATOM 2198 O O . PRO A 1 329 ? -30.109 50.363 56.386 1.00 18.80 ? 287 PRO A O 1 -ATOM 2199 C CB . PRO A 1 329 ? -32.949 49.391 57.074 1.00 21.42 ? 287 PRO A CB 1 -ATOM 2200 C CG . PRO A 1 329 ? -33.214 49.078 58.508 1.00 20.81 ? 287 PRO A CG 1 -ATOM 2201 C CD . PRO A 1 329 ? -31.880 48.760 59.125 1.00 21.71 ? 287 PRO A CD 1 -ATOM 2202 N N . LYS A 1 330 ? -30.497 49.044 54.615 1.00 16.17 ? 288 LYS A N 1 -ATOM 2203 C CA . LYS A 1 330 ? -29.525 49.745 53.768 1.00 16.38 ? 288 LYS A CA 1 -ATOM 2204 C C . LYS A 1 330 ? -30.131 50.959 53.075 1.00 18.69 ? 288 LYS A C 1 -ATOM 2205 O O . LYS A 1 330 ? -30.142 51.087 51.849 1.00 19.08 ? 288 LYS A O 1 -ATOM 2206 C CB . LYS A 1 330 ? -28.959 48.769 52.733 1.00 15.37 ? 288 LYS A CB 1 -ATOM 2207 C CG . LYS A 1 330 ? -28.506 47.422 53.267 1.00 16.28 ? 288 LYS A CG 1 -ATOM 2208 C CD . LYS A 1 330 ? -27.509 47.523 54.409 1.00 16.57 ? 288 LYS A CD 1 -ATOM 2209 C CE . LYS A 1 330 ? -26.994 46.157 54.841 1.00 19.62 ? 288 LYS A CE 1 -ATOM 2210 N NZ . LYS A 1 330 ? -28.052 45.331 55.497 1.00 15.67 ? 288 LYS A NZ 1 -ATOM 2211 N N . THR A 1 331 ? -30.641 51.906 53.856 1.00 16.76 ? 289 THR A N 1 -ATOM 2212 C CA . THR A 1 331 ? -31.300 53.096 53.365 1.00 16.08 ? 289 THR A CA 1 -ATOM 2213 C C . THR A 1 331 ? -30.319 54.084 52.753 1.00 15.21 ? 289 THR A C 1 -ATOM 2214 O O . THR A 1 331 ? -29.106 53.998 52.965 1.00 13.82 ? 289 THR A O 1 -ATOM 2215 C CB . THR A 1 331 ? -31.998 53.830 54.544 1.00 16.75 ? 289 THR A CB 1 -ATOM 2216 O OG1 . THR A 1 331 ? -30.979 54.216 55.476 1.00 17.20 ? 289 THR A OG1 1 -ATOM 2217 C CG2 . THR A 1 331 ? -32.993 52.924 55.246 1.00 18.31 ? 289 THR A CG2 1 -ATOM 2218 N N . ALA A 1 332 ? -30.867 55.103 52.077 1.00 14.20 ? 290 ALA A N 1 -ATOM 2219 C CA . ALA A 1 332 ? -30.036 56.182 51.544 1.00 14.75 ? 290 ALA A CA 1 -ATOM 2220 C C . ALA A 1 332 ? -29.296 56.901 52.662 1.00 15.66 ? 290 ALA A C 1 -ATOM 2221 O O . ALA A 1 332 ? -28.160 57.339 52.481 1.00 15.12 ? 290 ALA A O 1 -ATOM 2222 C CB . ALA A 1 332 ? -30.890 57.162 50.755 1.00 14.51 ? 290 ALA A CB 1 -ATOM 2223 N N . GLU A 1 333 ? -29.913 57.056 53.838 1.00 15.41 ? 291 GLU A N 1 -ATOM 2224 C CA . GLU A 1 333 ? -29.286 57.691 54.992 1.00 15.02 ? 291 GLU A CA 1 -ATOM 2225 C C . GLU A 1 333 ? -28.123 56.868 55.519 1.00 14.44 ? 291 GLU A C 1 -ATOM 2226 O O . GLU A 1 333 ? -27.062 57.397 55.845 1.00 16.68 ? 291 GLU A O 1 -ATOM 2227 C CB . GLU A 1 333 ? -30.341 57.881 56.100 1.00 17.29 ? 291 GLU A CB 1 -ATOM 2228 C CG . GLU A 1 333 ? -31.394 58.912 55.734 1.00 20.44 ? 291 GLU A CG 1 -ATOM 2229 C CD . GLU A 1 333 ? -32.525 58.459 54.851 1.00 24.01 ? 291 GLU A CD 1 -ATOM 2230 O OE1 . GLU A 1 333 ? -32.721 57.258 54.573 1.00 24.34 ? 291 GLU A OE1 1 -ATOM 2231 O OE2 . GLU A 1 333 ? -33.288 59.345 54.392 1.00 28.14 ? 291 GLU A OE2 1 -ATOM 2232 N N . TRP A 1 334 ? -28.279 55.544 55.553 1.00 13.94 ? 292 TRP A N 1 -ATOM 2233 C CA . TRP A 1 334 ? -27.172 54.660 55.928 1.00 13.70 ? 292 TRP A CA 1 -ATOM 2234 C C . TRP A 1 334 ? -26.039 54.840 54.913 1.00 12.66 ? 292 TRP A C 1 -ATOM 2235 O O . TRP A 1 334 ? -24.879 55.016 55.288 1.00 16.39 ? 292 TRP A O 1 -ATOM 2236 C CB . TRP A 1 334 ? -27.613 53.203 55.985 1.00 13.62 ? 292 TRP A CB 1 -ATOM 2237 C CG . TRP A 1 334 ? -26.495 52.197 56.009 1.00 15.97 ? 292 TRP A CG 1 -ATOM 2238 C CD1 . TRP A 1 334 ? -25.789 51.782 57.102 1.00 15.98 ? 292 TRP A CD1 1 -ATOM 2239 C CD2 . TRP A 1 334 ? -25.949 51.485 54.892 1.00 16.24 ? 292 TRP A CD2 1 -ATOM 2240 N NE1 . TRP A 1 334 ? -24.833 50.859 56.731 1.00 17.47 ? 292 TRP A NE1 1 -ATOM 2241 C CE2 . TRP A 1 334 ? -24.918 50.661 55.376 1.00 17.81 ? 292 TRP A CE2 1 -ATOM 2242 C CE3 . TRP A 1 334 ? -26.233 51.479 53.520 1.00 15.99 ? 292 TRP A CE3 1 -ATOM 2243 C CZ2 . TRP A 1 334 ? -24.172 49.820 54.546 1.00 17.35 ? 292 TRP A CZ2 1 -ATOM 2244 C CZ3 . TRP A 1 334 ? -25.484 50.653 52.695 1.00 14.43 ? 292 TRP A CZ3 1 -ATOM 2245 C CH2 . TRP A 1 334 ? -24.469 49.832 53.211 1.00 15.30 ? 292 TRP A CH2 1 -ATOM 2246 N N . ALA A 1 335 ? -26.358 54.867 53.627 1.00 13.30 ? 293 ALA A N 1 -ATOM 2247 C CA . ALA A 1 335 ? -25.350 55.010 52.566 1.00 13.07 ? 293 ALA A CA 1 -ATOM 2248 C C . ALA A 1 335 ? -24.606 56.335 52.619 1.00 14.82 ? 293 ALA A C 1 -ATOM 2249 O O . ALA A 1 335 ? -23.411 56.426 52.303 1.00 12.92 ? 293 ALA A O 1 -ATOM 2250 C CB . ALA A 1 335 ? -26.040 54.822 51.219 1.00 13.53 ? 293 ALA A CB 1 -ATOM 2251 N N . GLU A 1 336 ? -25.320 57.394 53.029 1.00 13.88 ? 294 GLU A N 1 -ATOM 2252 C CA . GLU A 1 336 ? -24.725 58.706 53.207 1.00 14.52 ? 294 GLU A CA 1 -ATOM 2253 C C . GLU A 1 336 ? -23.670 58.674 54.304 1.00 14.79 ? 294 GLU A C 1 -ATOM 2254 O O . GLU A 1 336 ? -22.581 59.234 54.146 1.00 12.82 ? 294 GLU A O 1 -ATOM 2255 C CB . GLU A 1 336 ? -25.778 59.770 53.570 1.00 17.95 ? 294 GLU A CB 1 -ATOM 2256 C CG . GLU A 1 336 ? -25.107 61.061 54.022 1.00 19.69 ? 294 GLU A CG 1 -ATOM 2257 C CD . GLU A 1 336 ? -26.033 62.229 54.265 1.00 23.15 ? 294 GLU A CD 1 -ATOM 2258 O OE1 . GLU A 1 336 ? -27.237 62.192 53.959 1.00 19.53 ? 294 GLU A OE1 1 -ATOM 2259 O OE2 . GLU A 1 336 ? -25.533 63.251 54.791 1.00 28.76 ? 294 GLU A OE2 1 -ATOM 2260 N N . GLY A 1 337 ? -23.949 57.981 55.420 1.00 13.88 ? 295 GLY A N 1 -ATOM 2261 C CA . GLY A 1 337 ? -22.978 57.871 56.505 1.00 12.59 ? 295 GLY A CA 1 -ATOM 2262 C C . GLY A 1 337 ? -21.666 57.232 56.067 1.00 14.09 ? 295 GLY A C 1 -ATOM 2263 O O . GLY A 1 337 ? -20.592 57.575 56.575 1.00 14.35 ? 295 GLY A O 1 -ATOM 2264 N N . ILE A 1 338 ? -21.718 56.279 55.129 1.00 12.64 ? 296 ILE A N 1 -ATOM 2265 C CA . ILE A 1 338 ? -20.507 55.626 54.653 1.00 13.67 ? 296 ILE A CA 1 -ATOM 2266 C C . ILE A 1 338 ? -19.831 56.360 53.498 1.00 12.19 ? 296 ILE A C 1 -ATOM 2267 O O . ILE A 1 338 ? -18.623 56.593 53.524 1.00 14.21 ? 296 ILE A O 1 -ATOM 2268 C CB . ILE A 1 338 ? -20.861 54.183 54.238 1.00 15.68 ? 296 ILE A CB 1 -ATOM 2269 C CG1 . ILE A 1 338 ? -21.174 53.391 55.524 1.00 19.38 ? 296 ILE A CG1 1 -ATOM 2270 C CG2 . ILE A 1 338 ? -19.738 53.514 53.465 1.00 13.44 ? 296 ILE A CG2 1 -ATOM 2271 C CD1 . ILE A 1 338 ? -21.783 52.039 55.258 1.00 23.30 ? 296 ILE A CD1 1 -ATOM 2272 N N . SER A 1 339 ? -20.594 56.780 52.505 1.00 11.16 ? 297 SER A N 1 -ATOM 2273 C CA . SER A 1 339 ? -20.077 57.386 51.291 1.00 12.61 ? 297 SER A CA 1 -ATOM 2274 C C . SER A 1 339 ? -19.905 58.892 51.307 1.00 13.00 ? 297 SER A C 1 -ATOM 2275 O O . SER A 1 339 ? -19.173 59.423 50.459 1.00 12.84 ? 297 SER A O 1 -ATOM 2276 C CB . SER A 1 339 ? -21.002 57.028 50.114 1.00 12.01 ? 297 SER A CB 1 -ATOM 2277 O OG . SER A 1 339 ? -22.216 57.772 50.187 1.00 12.59 ? 297 SER A OG 1 -ATOM 2278 N N . GLY A 1 340 ? -20.634 59.611 52.157 1.00 12.48 ? 298 GLY A N 1 -ATOM 2279 C CA . GLY A 1 340 ? -20.553 61.068 52.179 1.00 14.38 ? 298 GLY A CA 1 -ATOM 2280 C C . GLY A 1 340 ? -21.481 61.734 51.183 1.00 15.27 ? 298 GLY A C 1 -ATOM 2281 O O . GLY A 1 340 ? -21.592 62.964 51.169 1.00 16.79 ? 298 GLY A O 1 -ATOM 2282 N N . VAL A 1 341 ? -22.155 60.971 50.331 1.00 14.19 ? 299 VAL A N 1 -ATOM 2283 C CA . VAL A 1 341 ? -23.072 61.525 49.338 1.00 12.56 ? 299 VAL A CA 1 -ATOM 2284 C C . VAL A 1 341 ? -24.430 61.733 49.999 1.00 14.55 ? 299 VAL A C 1 -ATOM 2285 O O . VAL A 1 341 ? -24.931 60.825 50.653 1.00 13.15 ? 299 VAL A O 1 -ATOM 2286 C CB . VAL A 1 341 ? -23.207 60.569 48.140 1.00 13.90 ? 299 VAL A CB 1 -ATOM 2287 C CG1 . VAL A 1 341 ? -24.279 61.069 47.190 1.00 13.01 ? 299 VAL A CG1 1 -ATOM 2288 C CG2 . VAL A 1 341 ? -21.870 60.433 47.417 1.00 12.46 ? 299 VAL A CG2 1 -ATOM 2289 N N . PRO A 1 342 ? -25.016 62.915 49.848 1.00 15.65 ? 300 PRO A N 1 -ATOM 2290 C CA . PRO A 1 342 ? -26.278 63.217 50.509 1.00 17.48 ? 300 PRO A CA 1 -ATOM 2291 C C . PRO A 1 342 ? -27.375 62.219 50.219 1.00 16.09 ? 300 PRO A C 1 -ATOM 2292 O O . PRO A 1 342 ? -27.651 61.860 49.069 1.00 14.31 ? 300 PRO A O 1 -ATOM 2293 C CB . PRO A 1 342 ? -26.618 64.625 50.042 1.00 19.25 ? 300 PRO A CB 1 -ATOM 2294 C CG . PRO A 1 342 ? -25.334 65.216 49.565 1.00 19.99 ? 300 PRO A CG 1 -ATOM 2295 C CD . PRO A 1 342 ? -24.480 64.061 49.092 1.00 16.09 ? 300 PRO A CD 1 -ATOM 2296 N N . ALA A 1 343 ? -28.082 61.787 51.277 1.00 15.27 ? 301 ALA A N 1 -ATOM 2297 C CA . ALA A 1 343 ? -29.194 60.861 51.119 1.00 16.32 ? 301 ALA A CA 1 -ATOM 2298 C C . ALA A 1 343 ? -30.189 61.289 50.055 1.00 14.44 ? 301 ALA A C 1 -ATOM 2299 O O . ALA A 1 343 ? -30.683 60.452 49.293 1.00 14.73 ? 301 ALA A O 1 -ATOM 2300 C CB . ALA A 1 343 ? -29.959 60.661 52.430 1.00 17.38 ? 301 ALA A CB 1 -ATOM 2301 N N . GLU A 1 344 ? -30.558 62.577 50.014 1.00 16.05 ? 302 GLU A N 1 -ATOM 2302 C CA . GLU A 1 344 ? -31.543 63.034 49.042 1.00 17.43 ? 302 GLU A CA 1 -ATOM 2303 C C . GLU A 1 344 ? -31.036 62.950 47.610 1.00 15.14 ? 302 GLU A C 1 -ATOM 2304 O O . GLU A 1 344 ? -31.837 62.754 46.695 1.00 16.02 ? 302 GLU A O 1 -ATOM 2305 C CB . GLU A 1 344 ? -32.037 64.456 49.344 1.00 23.74 ? 302 GLU A CB 1 -ATOM 2306 C CG . GLU A 1 344 ? -33.433 64.443 49.957 1.00 34.45 ? 302 GLU A CG 1 -ATOM 2307 C CD . GLU A 1 344 ? -34.511 63.860 49.071 1.00 37.53 ? 302 GLU A CD 1 -ATOM 2308 O OE1 . GLU A 1 344 ? -34.460 64.003 47.829 1.00 42.23 ? 302 GLU A OE1 1 -ATOM 2309 O OE2 . GLU A 1 344 ? -35.450 63.234 49.609 1.00 40.44 ? 302 GLU A OE2 1 -ATOM 2310 N N . THR A 1 345 ? -29.734 63.100 47.420 1.00 16.49 ? 303 THR A N 1 -ATOM 2311 C CA . THR A 1 345 ? -29.129 62.974 46.094 1.00 15.64 ? 303 THR A CA 1 -ATOM 2312 C C . THR A 1 345 ? -29.193 61.513 45.657 1.00 14.31 ? 303 THR A C 1 -ATOM 2313 O O . THR A 1 345 ? -29.543 61.179 44.529 1.00 15.98 ? 303 THR A O 1 -ATOM 2314 C CB . THR A 1 345 ? -27.671 63.462 46.155 1.00 17.15 ? 303 THR A CB 1 -ATOM 2315 O OG1 . THR A 1 345 ? -27.697 64.849 46.527 1.00 17.42 ? 303 THR A OG1 1 -ATOM 2316 C CG2 . THR A 1 345 ? -26.979 63.312 44.814 1.00 18.00 ? 303 THR A CG2 1 -ATOM 2317 N N . ILE A 1 346 ? -28.898 60.617 46.599 1.00 12.03 ? 304 ILE A N 1 -ATOM 2318 C CA . ILE A 1 346 ? -29.005 59.179 46.324 1.00 14.47 ? 304 ILE A CA 1 -ATOM 2319 C C . ILE A 1 346 ? -30.429 58.841 45.909 1.00 15.99 ? 304 ILE A C 1 -ATOM 2320 O O . ILE A 1 346 ? -30.667 58.173 44.890 1.00 14.67 ? 304 ILE A O 1 -ATOM 2321 C CB . ILE A 1 346 ? -28.549 58.353 47.531 1.00 15.77 ? 304 ILE A CB 1 -ATOM 2322 C CG1 . ILE A 1 346 ? -27.047 58.514 47.783 1.00 14.74 ? 304 ILE A CG1 1 -ATOM 2323 C CG2 . ILE A 1 346 ? -28.914 56.885 47.340 1.00 17.82 ? 304 ILE A CG2 1 -ATOM 2324 C CD1 . ILE A 1 346 ? -26.580 58.023 49.138 1.00 14.86 ? 304 ILE A CD1 1 -ATOM 2325 N N . LYS A 1 347 ? -31.435 59.295 46.671 1.00 12.94 ? 305 LYS A N 1 -ATOM 2326 C CA . LYS A 1 347 ? -32.824 59.033 46.293 1.00 16.72 ? 305 LYS A CA 1 -ATOM 2327 C C . LYS A 1 347 ? -33.217 59.634 44.953 1.00 15.17 ? 305 LYS A C 1 -ATOM 2328 O O . LYS A 1 347 ? -33.914 58.995 44.148 1.00 14.90 ? 305 LYS A O 1 -ATOM 2329 C CB . LYS A 1 347 ? -33.794 59.550 47.371 1.00 18.38 ? 305 LYS A CB 1 -ATOM 2330 C CG . LYS A 1 347 ? -33.621 58.835 48.707 1.00 21.61 ? 305 LYS A CG 1 -ATOM 2331 C CD . LYS A 1 347 ? -34.560 59.434 49.755 1.00 24.18 ? 305 LYS A CD 1 -ATOM 2332 C CE . LYS A 1 347 ? -34.106 59.087 51.162 1.00 25.91 ? 305 LYS A CE 1 -ATOM 2333 N NZ . LYS A 1 347 ? -34.945 59.759 52.202 1.00 29.09 ? 305 LYS A NZ 1 -ATOM 2334 N N . GLU A 1 348 ? -32.834 60.879 44.674 1.00 15.31 ? 306 GLU A N 1 -ATOM 2335 C CA . GLU A 1 348 ? -33.224 61.507 43.411 1.00 17.95 ? 306 GLU A CA 1 -ATOM 2336 C C . GLU A 1 348 ? -32.624 60.817 42.191 1.00 17.16 ? 306 GLU A C 1 -ATOM 2337 O O . GLU A 1 348 ? -33.262 60.698 41.147 1.00 13.60 ? 306 GLU A O 1 -ATOM 2338 C CB . GLU A 1 348 ? -32.813 62.986 43.426 1.00 24.13 ? 306 GLU A CB 1 -ATOM 2339 C CG . GLU A 1 348 ? -33.659 63.772 44.421 1.00 32.22 ? 306 GLU A CG 1 -ATOM 2340 C CD . GLU A 1 348 ? -33.311 65.245 44.468 1.00 37.42 ? 306 GLU A CD 1 -ATOM 2341 O OE1 . GLU A 1 348 ? -32.339 65.666 43.806 1.00 39.53 ? 306 GLU A OE1 1 -ATOM 2342 O OE2 . GLU A 1 348 ? -34.029 65.980 45.183 1.00 40.97 ? 306 GLU A OE2 1 -ATOM 2343 N N . LEU A 1 349 ? -31.376 60.351 42.330 1.00 15.25 ? 307 LEU A N 1 -ATOM 2344 C CA . LEU A 1 349 ? -30.735 59.622 41.235 1.00 16.29 ? 307 LEU A CA 1 -ATOM 2345 C C . LEU A 1 349 ? -31.493 58.319 40.976 1.00 13.14 ? 307 LEU A C 1 -ATOM 2346 O O . LEU A 1 349 ? -31.757 57.945 39.834 1.00 13.34 ? 307 LEU A O 1 -ATOM 2347 C CB . LEU A 1 349 ? -29.294 59.329 41.611 1.00 17.21 ? 307 LEU A CB 1 -ATOM 2348 C CG . LEU A 1 349 ? -28.067 60.011 41.038 1.00 21.81 ? 307 LEU A CG 1 -ATOM 2349 C CD1 . LEU A 1 349 ? -28.334 61.185 40.121 1.00 22.37 ? 307 LEU A CD1 1 -ATOM 2350 C CD2 . LEU A 1 349 ? -27.117 60.424 42.160 1.00 21.63 ? 307 LEU A CD2 1 -ATOM 2351 N N . ALA A 1 350 ? -31.865 57.609 42.043 1.00 14.00 ? 308 ALA A N 1 -ATOM 2352 C CA . ALA A 1 350 ? -32.597 56.345 41.891 1.00 15.14 ? 308 ALA A CA 1 -ATOM 2353 C C . ALA A 1 350 ? -33.881 56.569 41.118 1.00 15.72 ? 308 ALA A C 1 -ATOM 2354 O O . ALA A 1 350 ? -34.171 55.894 40.130 1.00 16.17 ? 308 ALA A O 1 -ATOM 2355 C CB . ALA A 1 350 ? -32.829 55.686 43.242 1.00 13.16 ? 308 ALA A CB 1 -ATOM 2356 N N . ARG A 1 351 ? -34.679 57.566 41.518 1.00 16.14 ? 309 ARG A N 1 -ATOM 2357 C CA . ARG A 1 351 ? -35.917 57.889 40.820 1.00 16.35 ? 309 ARG A CA 1 -ATOM 2358 C C . ARG A 1 351 ? -35.691 58.271 39.363 1.00 15.77 ? 309 ARG A C 1 -ATOM 2359 O O . ARG A 1 351 ? -36.485 57.882 38.498 1.00 16.19 ? 309 ARG A O 1 -ATOM 2360 C CB . ARG A 1 351 ? -36.640 59.051 41.529 1.00 17.47 ? 309 ARG A CB 1 -ATOM 2361 C CG . ARG A 1 351 ? -37.015 58.708 42.964 1.00 19.76 ? 309 ARG A CG 1 -ATOM 2362 C CD . ARG A 1 351 ? -37.620 59.922 43.668 1.00 24.79 ? 309 ARG A CD 1 -ATOM 2363 N NE . ARG A 1 351 ? -37.723 59.692 45.112 1.00 24.72 ? 309 ARG A NE 1 -ATOM 2364 C CZ . ARG A 1 351 ? -37.371 60.577 46.031 1.00 25.18 ? 309 ARG A CZ 1 -ATOM 2365 N NH1 . ARG A 1 351 ? -36.895 61.765 45.676 1.00 25.01 ? 309 ARG A NH1 1 -ATOM 2366 N NH2 . ARG A 1 351 ? -37.503 60.261 47.314 1.00 23.73 ? 309 ARG A NH2 1 -ATOM 2367 N N . LEU A 1 352 ? -34.649 59.051 39.083 1.00 13.94 ? 310 LEU A N 1 -ATOM 2368 C CA . LEU A 1 352 ? -34.357 59.472 37.719 1.00 14.96 ? 310 LEU A CA 1 -ATOM 2369 C C . LEU A 1 352 ? -33.987 58.298 36.820 1.00 15.69 ? 310 LEU A C 1 -ATOM 2370 O O . LEU A 1 352 ? -34.480 58.183 35.693 1.00 15.75 ? 310 LEU A O 1 -ATOM 2371 C CB . LEU A 1 352 ? -33.223 60.502 37.686 1.00 15.44 ? 310 LEU A CB 1 -ATOM 2372 C CG . LEU A 1 352 ? -32.793 60.963 36.289 1.00 18.35 ? 310 LEU A CG 1 -ATOM 2373 C CD1 . LEU A 1 352 ? -33.697 62.077 35.778 1.00 20.74 ? 310 LEU A CD1 1 -ATOM 2374 C CD2 . LEU A 1 352 ? -31.346 61.428 36.293 1.00 19.10 ? 310 LEU A CD2 1 -ATOM 2375 N N . PHE A 1 353 ? -33.132 57.405 37.319 1.00 13.55 ? 311 PHE A N 1 -ATOM 2376 C CA . PHE A 1 353 ? -32.749 56.227 36.544 1.00 14.40 ? 311 PHE A CA 1 -ATOM 2377 C C . PHE A 1 353 ? -33.956 55.356 36.213 1.00 15.62 ? 311 PHE A C 1 -ATOM 2378 O O . PHE A 1 353 ? -34.019 54.761 35.136 1.00 14.81 ? 311 PHE A O 1 -ATOM 2379 C CB . PHE A 1 353 ? -31.701 55.412 37.303 1.00 13.85 ? 311 PHE A CB 1 -ATOM 2380 C CG . PHE A 1 353 ? -30.401 56.096 37.607 1.00 14.16 ? 311 PHE A CG 1 -ATOM 2381 C CD1 . PHE A 1 353 ? -30.029 57.297 37.035 1.00 13.41 ? 311 PHE A CD1 1 -ATOM 2382 C CD2 . PHE A 1 353 ? -29.514 55.490 38.491 1.00 15.91 ? 311 PHE A CD2 1 -ATOM 2383 C CE1 . PHE A 1 353 ? -28.821 57.887 37.344 1.00 15.54 ? 311 PHE A CE1 1 -ATOM 2384 C CE2 . PHE A 1 353 ? -28.300 56.073 38.808 1.00 16.27 ? 311 PHE A CE2 1 -ATOM 2385 C CZ . PHE A 1 353 ? -27.952 57.279 38.233 1.00 15.34 ? 311 PHE A CZ 1 -ATOM 2386 N N . GLU A 1 354 ? -34.931 55.260 37.120 1.00 14.91 ? 312 GLU A N 1 -ATOM 2387 C CA . GLU A 1 354 ? -36.101 54.423 36.894 1.00 14.34 ? 312 GLU A CA 1 -ATOM 2388 C C . GLU A 1 354 ? -37.065 55.043 35.894 1.00 16.45 ? 312 GLU A C 1 -ATOM 2389 O O . GLU A 1 354 ? -37.770 54.290 35.217 1.00 19.77 ? 312 GLU A O 1 -ATOM 2390 C CB . GLU A 1 354 ? -36.811 54.153 38.230 1.00 13.30 ? 312 GLU A CB 1 -ATOM 2391 C CG . GLU A 1 354 ? -37.895 53.106 38.219 1.00 16.97 ? 312 GLU A CG 1 -ATOM 2392 C CD . GLU A 1 354 ? -37.464 51.674 37.934 1.00 2.60 ? 312 GLU A CD 1 -ATOM 2393 O OE1 . GLU A 1 354 ? -36.529 51.188 38.533 1.00 21.92 ? 312 GLU A OE1 1 -ATOM 2394 O OE2 . GLU A 1 354 ? -38.151 51.030 37.097 1.00 22.39 ? 312 GLU A OE2 1 -ATOM 2395 N N . SER A 1 355 ? -37.111 56.372 35.789 1.00 15.29 ? 313 SER A N 1 -ATOM 2396 C CA . SER A 1 355 ? -38.093 56.983 34.893 1.00 17.27 ? 313 SER A CA 1 -ATOM 2397 C C . SER A 1 355 ? -37.599 57.348 33.513 1.00 18.42 ? 313 SER A C 1 -ATOM 2398 O O . SER A 1 355 ? -38.404 57.787 32.677 1.00 19.39 ? 313 SER A O 1 -ATOM 2399 C CB . SER A 1 355 ? -38.687 58.208 35.608 1.00 22.11 ? 313 SER A CB 1 -ATOM 2400 O OG . SER A 1 355 ? -37.710 59.230 35.706 1.00 25.97 ? 313 SER A OG 1 -ATOM 2401 N N . LYS A 1 356 ? -36.305 57.224 33.231 1.00 14.86 ? 314 LYS A N 1 -ATOM 2402 C CA . LYS A 1 356 ? -35.767 57.581 31.918 1.00 15.61 ? 314 LYS A CA 1 -ATOM 2403 C C . LYS A 1 356 ? -34.968 56.414 31.333 1.00 13.26 ? 314 LYS A C 1 -ATOM 2404 O O . LYS A 1 356 ? -34.528 55.579 32.118 1.00 14.19 ? 314 LYS A O 1 -ATOM 2405 C CB . LYS A 1 356 ? -34.827 58.778 32.053 1.00 19.52 ? 314 LYS A CB 1 -ATOM 2406 C CG . LYS A 1 356 ? -35.421 60.062 32.609 1.00 25.91 ? 314 LYS A CG 1 -ATOM 2407 C CD . LYS A 1 356 ? -36.430 60.625 31.614 1.00 30.29 ? 314 LYS A CD 1 -ATOM 2408 C CE . LYS A 1 356 ? -37.284 61.713 32.250 1.00 35.36 ? 314 LYS A CE 1 -ATOM 2409 N NZ . LYS A 1 356 ? -36.756 63.061 31.888 1.00 37.91 ? 314 LYS A NZ 1 -ATOM 2410 N N . ARG A 1 357 ? -34.760 56.383 30.022 1.00 12.08 ? 315 ARG A N 1 -ATOM 2411 C CA . ARG A 1 357 ? -33.945 55.299 29.439 1.00 12.53 ? 315 ARG A CA 1 -ATOM 2412 C C . ARG A 1 357 ? -32.497 55.581 29.849 1.00 12.36 ? 315 ARG A C 1 -ATOM 2413 O O . ARG A 1 357 ? -31.935 56.586 29.426 1.00 10.09 ? 315 ARG A O 1 -ATOM 2414 C CB . ARG A 1 357 ? -34.105 55.244 27.930 1.00 15.45 ? 315 ARG A CB 1 -ATOM 2415 C CG . ARG A 1 357 ? -33.383 54.095 27.241 1.00 17.54 ? 315 ARG A CG 1 -ATOM 2416 C CD . ARG A 1 357 ? -33.947 52.729 27.583 1.00 17.84 ? 315 ARG A CD 1 -ATOM 2417 N NE . ARG A 1 357 ? -35.393 52.662 27.443 1.00 18.51 ? 315 ARG A NE 1 -ATOM 2418 C CZ . ARG A 1 357 ? -36.040 52.491 26.296 1.00 21.45 ? 315 ARG A CZ 1 -ATOM 2419 N NH1 . ARG A 1 357 ? -35.407 52.330 25.143 1.00 20.81 ? 315 ARG A NH1 1 -ATOM 2420 N NH2 . ARG A 1 357 ? -37.372 52.462 26.319 1.00 24.40 ? 315 ARG A NH2 1 -ATOM 2421 N N . THR A 1 358 ? -31.958 54.778 30.744 1.00 11.86 ? 316 THR A N 1 -ATOM 2422 C CA . THR A 1 358 ? -30.653 54.992 31.340 1.00 11.34 ? 316 THR A CA 1 -ATOM 2423 C C . THR A 1 358 ? -29.619 53.925 31.025 1.00 11.71 ? 316 THR A C 1 -ATOM 2424 O O . THR A 1 358 ? -29.930 52.734 31.107 1.00 10.71 ? 316 THR A O 1 -ATOM 2425 C CB . THR A 1 358 ? -30.878 54.978 32.880 1.00 14.46 ? 316 THR A CB 1 -ATOM 2426 O OG1 . THR A 1 358 ? -31.805 56.035 33.189 1.00 14.29 ? 316 THR A OG1 1 -ATOM 2427 C CG2 . THR A 1 358 ? -29.571 55.165 33.616 1.00 15.93 ? 316 THR A CG2 1 -ATOM 2428 N N . MET A 1 359 ? -28.416 54.357 30.670 1.00 10.93 ? 317 MET A N 1 -ATOM 2429 C CA . MET A 1 359 ? -27.317 53.417 30.420 1.00 10.52 ? 317 MET A CA 1 -ATOM 2430 C C . MET A 1 359 ? -26.291 53.587 31.540 1.00 11.94 ? 317 MET A C 1 -ATOM 2431 O O . MET A 1 359 ? -25.794 54.696 31.739 1.00 12.06 ? 317 MET A O 1 -ATOM 2432 C CB . MET A 1 359 ? -26.648 53.672 29.073 1.00 8.61 ? 317 MET A CB 1 -ATOM 2433 C CG . MET A 1 359 ? -25.359 52.890 28.833 1.00 10.22 ? 317 MET A CG 1 -ATOM 2434 S SD . MET A 1 359 ? -25.540 51.100 28.955 1.00 13.13 ? 317 MET A SD 1 -ATOM 2435 C CE . MET A 1 359 ? -26.369 50.673 27.439 1.00 13.44 ? 317 MET A CE 1 -ATOM 2436 N N . LEU A 1 360 ? -25.986 52.512 32.257 1.00 10.45 ? 318 LEU A N 1 -ATOM 2437 C CA . LEU A 1 360 ? -24.977 52.568 33.307 1.00 10.40 ? 318 LEU A CA 1 -ATOM 2438 C C . LEU A 1 360 ? -23.649 52.075 32.740 1.00 11.54 ? 318 LEU A C 1 -ATOM 2439 O O . LEU A 1 360 ? -23.449 50.865 32.621 1.00 11.92 ? 318 LEU A O 1 -ATOM 2440 C CB . LEU A 1 360 ? -25.396 51.720 34.506 1.00 11.70 ? 318 LEU A CB 1 -ATOM 2441 C CG . LEU A 1 360 ? -26.754 52.091 35.124 1.00 13.22 ? 318 LEU A CG 1 -ATOM 2442 C CD1 . LEU A 1 360 ? -27.202 51.013 36.100 1.00 13.48 ? 318 LEU A CD1 1 -ATOM 2443 C CD2 . LEU A 1 360 ? -26.698 53.447 35.804 1.00 15.63 ? 318 LEU A CD2 1 -ATOM 2444 N N . ALA A 1 361 ? -22.775 52.999 32.363 1.00 10.49 ? 319 ALA A N 1 -ATOM 2445 C CA . ALA A 1 361 ? -21.477 52.634 31.797 1.00 9.71 ? 319 ALA A CA 1 -ATOM 2446 C C . ALA A 1 361 ? -20.457 52.647 32.935 1.00 11.96 ? 319 ALA A C 1 -ATOM 2447 O O . ALA A 1 361 ? -20.110 53.729 33.429 1.00 12.12 ? 319 ALA A O 1 -ATOM 2448 C CB . ALA A 1 361 ? -21.081 53.639 30.717 1.00 11.38 ? 319 ALA A CB 1 -ATOM 2449 N N . ALA A 1 362 ? -20.022 51.471 33.370 1.00 7.93 ? 320 ALA A N 1 -ATOM 2450 C CA . ALA A 1 362 ? -19.118 51.416 34.520 1.00 7.64 ? 320 ALA A CA 1 -ATOM 2451 C C . ALA A 1 362 ? -17.696 51.066 34.116 1.00 10.18 ? 320 ALA A C 1 -ATOM 2452 O O . ALA A 1 362 ? -17.471 50.226 33.244 1.00 11.46 ? 320 ALA A O 1 -ATOM 2453 C CB . ALA A 1 362 ? -19.652 50.401 35.529 1.00 8.23 ? 320 ALA A CB 1 -ATOM 2454 N N . GLY A 1 363 ? -16.746 51.702 34.798 1.00 7.98 ? 321 GLY A N 1 -ATOM 2455 C CA . GLY A 1 363 ? -15.328 51.451 34.556 1.00 7.91 ? 321 GLY A CA 1 -ATOM 2456 C C . GLY A 1 363 ? -14.836 50.414 35.559 1.00 9.78 ? 321 GLY A C 1 -ATOM 2457 O O . GLY A 1 363 ? -15.641 49.765 36.231 1.00 8.91 ? 321 GLY A O 1 -ATOM 2458 N N . TRP A 1 364 ? -13.517 50.187 35.597 1.00 6.10 ? 322 TRP A N 1 -ATOM 2459 C CA . TRP A 1 364 ? -12.965 49.076 36.348 1.00 6.86 ? 322 TRP A CA 1 -ATOM 2460 C C . TRP A 1 364 ? -12.164 49.415 37.583 1.00 7.24 ? 322 TRP A C 1 -ATOM 2461 O O . TRP A 1 364 ? -11.698 48.518 38.296 1.00 8.80 ? 322 TRP A O 1 -ATOM 2462 C CB . TRP A 1 364 ? -12.111 48.226 35.371 1.00 6.57 ? 322 TRP A CB 1 -ATOM 2463 C CG . TRP A 1 364 ? -12.851 47.714 34.163 1.00 6.41 ? 322 TRP A CG 1 -ATOM 2464 C CD1 . TRP A 1 364 ? -14.177 47.404 34.080 1.00 8.14 ? 322 TRP A CD1 1 -ATOM 2465 C CD2 . TRP A 1 364 ? -12.309 47.413 32.875 1.00 7.31 ? 322 TRP A CD2 1 -ATOM 2466 N NE1 . TRP A 1 364 ? -14.512 46.968 32.824 1.00 6.74 ? 322 TRP A NE1 1 -ATOM 2467 C CE2 . TRP A 1 364 ? -13.366 46.956 32.066 1.00 5.48 ? 322 TRP A CE2 1 -ATOM 2468 C CE3 . TRP A 1 364 ? -11.021 47.495 32.319 1.00 6.45 ? 322 TRP A CE3 1 -ATOM 2469 C CZ2 . TRP A 1 364 ? -13.202 46.572 30.736 1.00 7.61 ? 322 TRP A CZ2 1 -ATOM 2470 C CZ3 . TRP A 1 364 ? -10.860 47.111 30.991 1.00 8.07 ? 322 TRP A CZ3 1 -ATOM 2471 C CH2 . TRP A 1 364 ? -11.938 46.659 30.219 1.00 8.52 ? 322 TRP A CH2 1 -ATOM 2472 N N . SER A 1 365 ? -11.982 50.699 37.892 1.00 7.18 ? 323 SER A N 1 -ATOM 2473 C CA . SER A 1 365 ? -11.208 51.038 39.089 1.00 5.12 ? 323 SER A CA 1 -ATOM 2474 C C . SER A 1 365 ? -11.873 50.506 40.346 1.00 6.98 ? 323 SER A C 1 -ATOM 2475 O O . SER A 1 365 ? -11.228 50.019 41.274 1.00 7.12 ? 323 SER A O 1 -ATOM 2476 C CB . SER A 1 365 ? -11.096 52.570 39.173 1.00 7.22 ? 323 SER A CB 1 -ATOM 2477 O OG . SER A 1 365 ? -12.424 53.077 39.076 1.00 8.70 ? 323 SER A OG 1 -ATOM 2478 N N . MET A 1 366 ? -13.213 50.595 40.388 1.00 5.52 ? 324 MET A N 1 -ATOM 2479 C CA . MET A 1 366 ? -13.927 50.163 41.591 1.00 8.14 ? 324 MET A CA 1 -ATOM 2480 C C . MET A 1 366 ? -13.899 48.668 41.844 1.00 9.39 ? 324 MET A C 1 -ATOM 2481 O O . MET A 1 366 ? -14.361 48.299 42.935 1.00 9.91 ? 324 MET A O 1 -ATOM 2482 C CB . MET A 1 366 ? -15.340 50.722 41.611 1.00 9.99 ? 324 MET A CB 1 -ATOM 2483 C CG . MET A 1 366 ? -16.320 50.212 40.576 1.00 12.29 ? 324 MET A CG 1 -ATOM 2484 S SD . MET A 1 366 ? -17.919 51.039 40.834 1.00 13.47 ? 324 MET A SD 1 -ATOM 2485 C CE . MET A 1 366 ? -18.747 50.617 39.299 1.00 13.84 ? 324 MET A CE 1 -ATOM 2486 N N . GLN A 1 367 ? -13.463 47.814 40.929 1.00 7.66 ? 325 GLN A N 1 -ATOM 2487 C CA . GLN A 1 367 ? -13.300 46.393 41.194 1.00 7.21 ? 325 GLN A CA 1 -ATOM 2488 C C . GLN A 1 367 ? -11.814 46.065 41.362 1.00 7.66 ? 325 GLN A C 1 -ATOM 2489 O O . GLN A 1 367 ? -11.450 44.948 41.759 1.00 7.74 ? 325 GLN A O 1 -ATOM 2490 C CB . GLN A 1 367 ? -13.966 45.483 40.162 1.00 7.38 ? 325 GLN A CB 1 -ATOM 2491 C CG . GLN A 1 367 ? -13.432 45.614 38.733 1.00 9.61 ? 325 GLN A CG 1 -ATOM 2492 C CD . GLN A 1 367 ? -12.121 44.868 38.569 1.00 9.69 ? 325 GLN A CD 1 -ATOM 2493 O OE1 . GLN A 1 367 ? -12.090 43.635 38.631 1.00 8.97 ? 325 GLN A OE1 1 -ATOM 2494 N NE2 . GLN A 1 367 ? -11.026 45.606 38.364 1.00 7.18 ? 325 GLN A NE2 1 -ATOM 2495 N N . ARG A 1 368 ? -10.919 47.056 41.237 1.00 6.64 ? 326 ARG A N 1 -ATOM 2496 C CA . ARG A 1 368 ? -9.475 46.887 41.447 1.00 5.20 ? 326 ARG A CA 1 -ATOM 2497 C C . ARG A 1 368 ? -9.141 47.246 42.887 1.00 7.03 ? 326 ARG A C 1 -ATOM 2498 O O . ARG A 1 368 ? -8.277 48.043 43.259 1.00 7.77 ? 326 ARG A O 1 -ATOM 2499 C CB . ARG A 1 368 ? -8.663 47.709 40.430 1.00 6.78 ? 326 ARG A CB 1 -ATOM 2500 C CG . ARG A 1 368 ? -7.220 47.266 40.208 1.00 6.87 ? 326 ARG A CG 1 -ATOM 2501 C CD . ARG A 1 368 ? -6.485 47.982 39.062 1.00 6.49 ? 326 ARG A CD 1 -ATOM 2502 N NE . ARG A 1 368 ? -7.272 47.838 37.838 1.00 6.01 ? 326 ARG A NE 1 -ATOM 2503 C CZ . ARG A 1 368 ? -7.866 48.786 37.134 1.00 7.60 ? 326 ARG A CZ 1 -ATOM 2504 N NH1 . ARG A 1 368 ? -7.702 50.071 37.416 1.00 5.68 ? 326 ARG A NH1 1 -ATOM 2505 N NH2 . ARG A 1 368 ? -8.620 48.453 36.090 1.00 7.14 ? 326 ARG A NH2 1 -ATOM 2506 N N . MET A 1 369 ? -9.912 46.664 43.816 1.00 8.02 ? 327 MET A N 1 -ATOM 2507 C CA . MET A 1 369 ? -9.966 46.985 45.220 1.00 7.45 ? 327 MET A CA 1 -ATOM 2508 C C . MET A 1 369 ? -10.474 45.812 46.059 1.00 10.15 ? 327 MET A C 1 -ATOM 2509 O O . MET A 1 369 ? -11.070 44.903 45.486 1.00 9.32 ? 327 MET A O 1 -ATOM 2510 C CB . MET A 1 369 ? -11.038 48.085 45.387 1.00 9.92 ? 327 MET A CB 1 -ATOM 2511 C CG . MET A 1 369 ? -10.721 49.465 44.864 1.00 11.25 ? 327 MET A CG 1 -ATOM 2512 S SD . MET A 1 369 ? -12.187 50.539 44.806 1.00 11.36 ? 327 MET A SD 1 -ATOM 2513 C CE . MET A 1 369 ? -11.363 52.064 44.336 1.00 11.56 ? 327 MET A CE 1 -ATOM 2514 N N . HIS A 1 370 ? -10.279 45.885 47.373 1.00 7.56 ? 328 HIS A N 1 -ATOM 2515 C CA . HIS A 1 370 ? -10.703 44.760 48.235 1.00 9.87 ? 328 HIS A CA 1 -ATOM 2516 C C . HIS A 1 370 ? -12.185 44.501 48.087 1.00 11.41 ? 328 HIS A C 1 -ATOM 2517 O O . HIS A 1 370 ? -13.003 45.419 48.029 1.00 10.55 ? 328 HIS A O 1 -ATOM 2518 C CB . HIS A 1 370 ? -10.266 45.069 49.665 1.00 10.64 ? 328 HIS A CB 1 -ATOM 2519 C CG . HIS A 1 370 ? -10.296 43.931 50.634 1.00 12.03 ? 328 HIS A CG 1 -ATOM 2520 N ND1 . HIS A 1 370 ? -10.448 44.140 51.997 1.00 11.33 ? 328 HIS A ND1 1 -ATOM 2521 C CD2 . HIS A 1 370 ? -10.194 42.590 50.458 1.00 12.58 ? 328 HIS A CD2 1 -ATOM 2522 C CE1 . HIS A 1 370 ? -10.436 42.970 52.611 1.00 13.15 ? 328 HIS A CE1 1 -ATOM 2523 N NE2 . HIS A 1 370 ? -10.289 42.011 51.708 1.00 12.32 ? 328 HIS A NE2 1 -ATOM 2524 N N . HIS A 1 371 ? -12.596 43.235 47.952 1.00 9.93 ? 329 HIS A N 1 -ATOM 2525 C CA . HIS A 1 371 ? -13.974 42.846 47.708 1.00 9.84 ? 329 HIS A CA 1 -ATOM 2526 C C . HIS A 1 371 ? -14.471 43.425 46.387 1.00 8.70 ? 329 HIS A C 1 -ATOM 2527 O O . HIS A 1 371 ? -15.664 43.706 46.226 1.00 8.68 ? 329 HIS A O 1 -ATOM 2528 C CB . HIS A 1 371 ? -14.934 43.285 48.827 1.00 9.03 ? 329 HIS A CB 1 -ATOM 2529 C CG . HIS A 1 371 ? -14.470 42.846 50.185 1.00 10.61 ? 329 HIS A CG 1 -ATOM 2530 N ND1 . HIS A 1 371 ? -14.320 43.722 51.234 1.00 12.15 ? 329 HIS A ND1 1 -ATOM 2531 C CD2 . HIS A 1 371 ? -14.126 41.619 50.647 1.00 12.81 ? 329 HIS A CD2 1 -ATOM 2532 C CE1 . HIS A 1 371 ? -13.901 43.057 52.299 1.00 13.70 ? 329 HIS A CE1 1 -ATOM 2533 N NE2 . HIS A 1 371 ? -13.769 41.784 51.967 1.00 12.77 ? 329 HIS A NE2 1 -ATOM 2534 N N . GLY A 1 372 ? -13.583 43.546 45.385 1.00 10.07 ? 330 GLY A N 1 -ATOM 2535 C CA . GLY A 1 372 ? -13.986 44.134 44.117 1.00 9.18 ? 330 GLY A CA 1 -ATOM 2536 C C . GLY A 1 372 ? -15.087 43.416 43.366 1.00 10.05 ? 330 GLY A C 1 -ATOM 2537 O O . GLY A 1 372 ? -15.767 43.999 42.511 1.00 9.29 ? 330 GLY A O 1 -ATOM 2538 N N . GLU A 1 373 ? -15.303 42.130 43.635 1.00 8.50 ? 331 GLU A N 1 -ATOM 2539 C CA . GLU A 1 373 ? -16.344 41.344 43.003 1.00 8.00 ? 331 GLU A CA 1 -ATOM 2540 C C . GLU A 1 373 ? -17.722 41.949 43.248 1.00 8.88 ? 331 GLU A C 1 -ATOM 2541 O O . GLU A 1 373 ? -18.608 41.832 42.403 1.00 7.83 ? 331 GLU A O 1 -ATOM 2542 C CB . GLU A 1 373 ? -16.377 39.902 43.512 1.00 11.06 ? 331 GLU A CB 1 -ATOM 2543 C CG . GLU A 1 373 ? -15.144 39.066 43.227 1.00 8.37 ? 331 GLU A CG 1 -ATOM 2544 C CD . GLU A 1 373 ? -14.035 39.240 44.237 1.00 9.06 ? 331 GLU A CD 1 -ATOM 2545 O OE1 . GLU A 1 373 ? -14.106 40.148 45.104 1.00 9.16 ? 331 GLU A OE1 1 -ATOM 2546 O OE2 . GLU A 1 373 ? -13.052 38.460 44.199 1.00 10.23 ? 331 GLU A OE2 1 -ATOM 2547 N N . GLN A 1 374 ? -17.928 42.549 44.420 1.00 8.89 ? 332 GLN A N 1 -ATOM 2548 C CA . GLN A 1 374 ? -19.232 43.113 44.738 1.00 10.38 ? 332 GLN A CA 1 -ATOM 2549 C C . GLN A 1 374 ? -19.608 44.313 43.881 1.00 10.53 ? 332 GLN A C 1 -ATOM 2550 O O . GLN A 1 374 ? -20.807 44.468 43.657 1.00 11.56 ? 332 GLN A O 1 -ATOM 2551 C CB . GLN A 1 374 ? -19.290 43.521 46.218 1.00 8.36 ? 332 GLN A CB 1 -ATOM 2552 C CG . GLN A 1 374 ? -18.756 42.435 47.160 1.00 8.79 ? 332 GLN A CG 1 -ATOM 2553 C CD . GLN A 1 374 ? -19.586 41.167 47.046 1.00 13.03 ? 332 GLN A CD 1 -ATOM 2554 O OE1 . GLN A 1 374 ? -20.813 41.239 47.055 1.00 12.15 ? 332 GLN A OE1 1 -ATOM 2555 N NE2 . GLN A 1 374 ? -18.926 40.020 46.917 1.00 11.99 ? 332 GLN A NE2 1 -ATOM 2556 N N . ALA A 1 375 ? -18.667 45.137 43.438 1.00 8.36 ? 333 ALA A N 1 -ATOM 2557 C CA . ALA A 1 375 ? -19.040 46.335 42.683 1.00 9.39 ? 333 ALA A CA 1 -ATOM 2558 C C . ALA A 1 375 ? -19.855 46.086 41.428 1.00 10.28 ? 333 ALA A C 1 -ATOM 2559 O O . ALA A 1 375 ? -20.931 46.693 41.311 1.00 10.41 ? 333 ALA A O 1 -ATOM 2560 C CB . ALA A 1 375 ? -17.796 47.166 42.339 1.00 8.59 ? 333 ALA A CB 1 -ATOM 2561 N N . HIS A 1 376 ? -19.425 45.251 40.480 1.00 5.81 ? 334 HIS A N 1 -ATOM 2562 C CA . HIS A 1 376 ? -20.203 45.083 39.250 1.00 8.26 ? 334 HIS A CA 1 -ATOM 2563 C C . HIS A 1 376 ? -21.356 44.120 39.455 1.00 6.68 ? 334 HIS A C 1 -ATOM 2564 O O . HIS A 1 376 ? -22.348 44.173 38.733 1.00 8.03 ? 334 HIS A O 1 -ATOM 2565 C CB . HIS A 1 376 ? -19.285 44.686 38.072 1.00 6.13 ? 334 HIS A CB 1 -ATOM 2566 C CG . HIS A 1 376 ? -18.355 45.826 37.749 1.00 8.27 ? 334 HIS A CG 1 -ATOM 2567 N ND1 . HIS A 1 376 ? -17.048 45.835 38.186 1.00 11.88 ? 334 HIS A ND1 1 -ATOM 2568 C CD2 . HIS A 1 376 ? -18.528 46.987 37.083 1.00 9.68 ? 334 HIS A CD2 1 -ATOM 2569 C CE1 . HIS A 1 376 ? -16.463 46.954 37.782 1.00 12.83 ? 334 HIS A CE1 1 -ATOM 2570 N NE2 . HIS A 1 376 ? -17.330 47.681 37.101 1.00 8.87 ? 334 HIS A NE2 1 -ATOM 2571 N N . TRP A 1 377 ? -21.273 43.254 40.464 1.00 8.28 ? 335 TRP A N 1 -ATOM 2572 C CA . TRP A 1 377 ? -22.378 42.347 40.791 1.00 9.48 ? 335 TRP A CA 1 -ATOM 2573 C C . TRP A 1 377 ? -23.560 43.199 41.268 1.00 9.43 ? 335 TRP A C 1 -ATOM 2574 O O . TRP A 1 377 ? -24.698 43.025 40.834 1.00 8.69 ? 335 TRP A O 1 -ATOM 2575 C CB . TRP A 1 377 ? -21.998 41.360 41.881 1.00 9.51 ? 335 TRP A CB 1 -ATOM 2576 C CG . TRP A 1 377 ? -22.949 40.204 42.069 1.00 9.79 ? 335 TRP A CG 1 -ATOM 2577 C CD1 . TRP A 1 377 ? -24.118 39.934 41.423 1.00 10.38 ? 335 TRP A CD1 1 -ATOM 2578 C CD2 . TRP A 1 377 ? -22.752 39.134 43.000 1.00 8.25 ? 335 TRP A CD2 1 -ATOM 2579 N NE1 . TRP A 1 377 ? -24.660 38.758 41.900 1.00 10.14 ? 335 TRP A NE1 1 -ATOM 2580 C CE2 . TRP A 1 377 ? -23.844 38.257 42.866 1.00 11.07 ? 335 TRP A CE2 1 -ATOM 2581 C CE3 . TRP A 1 377 ? -21.744 38.844 43.926 1.00 12.08 ? 335 TRP A CE3 1 -ATOM 2582 C CZ2 . TRP A 1 377 ? -23.954 37.088 43.632 1.00 11.88 ? 335 TRP A CZ2 1 -ATOM 2583 C CZ3 . TRP A 1 377 ? -21.852 37.696 44.695 1.00 12.78 ? 335 TRP A CZ3 1 -ATOM 2584 C CH2 . TRP A 1 377 ? -22.946 36.848 44.512 1.00 11.17 ? 335 TRP A CH2 1 -ATOM 2585 N N . MET A 1 378 ? -23.269 44.151 42.161 1.00 8.65 ? 336 MET A N 1 -ATOM 2586 C CA . MET A 1 378 ? -24.327 45.053 42.633 1.00 9.61 ? 336 MET A CA 1 -ATOM 2587 C C . MET A 1 378 ? -24.805 45.979 41.528 1.00 11.52 ? 336 MET A C 1 -ATOM 2588 O O . MET A 1 378 ? -26.011 46.272 41.432 1.00 11.45 ? 336 MET A O 1 -ATOM 2589 C CB . MET A 1 378 ? -23.839 45.857 43.848 1.00 9.89 ? 336 MET A CB 1 -ATOM 2590 C CG . MET A 1 378 ? -24.962 46.703 44.457 1.00 12.48 ? 336 MET A CG 1 -ATOM 2591 S SD . MET A 1 378 ? -26.327 45.684 45.072 1.00 14.08 ? 336 MET A SD 1 -ATOM 2592 C CE . MET A 1 378 ? -27.716 46.723 44.627 1.00 14.16 ? 336 MET A CE 1 -ATOM 2593 N N . LEU A 1 379 ? -23.917 46.394 40.614 1.00 9.37 ? 337 LEU A N 1 -ATOM 2594 C CA . LEU A 1 379 ? -24.350 47.247 39.511 1.00 9.36 ? 337 LEU A CA 1 -ATOM 2595 C C . LEU A 1 379 ? -25.374 46.542 38.630 1.00 11.06 ? 337 LEU A C 1 -ATOM 2596 O O . LEU A 1 379 ? -26.391 47.098 38.210 1.00 12.26 ? 337 LEU A O 1 -ATOM 2597 C CB . LEU A 1 379 ? -23.149 47.664 38.641 1.00 12.76 ? 337 LEU A CB 1 -ATOM 2598 C CG . LEU A 1 379 ? -23.555 48.630 37.512 1.00 15.78 ? 337 LEU A CG 1 -ATOM 2599 C CD1 . LEU A 1 379 ? -23.488 50.059 38.030 1.00 17.84 ? 337 LEU A CD1 1 -ATOM 2600 C CD2 . LEU A 1 379 ? -22.671 48.454 36.288 1.00 19.46 ? 337 LEU A CD2 1 -ATOM 2601 N N . VAL A 1 380 ? -25.128 45.257 38.335 1.00 8.58 ? 338 VAL A N 1 -ATOM 2602 C CA . VAL A 1 380 ? -26.037 44.461 37.513 1.00 10.52 ? 338 VAL A CA 1 -ATOM 2603 C C . VAL A 1 380 ? -27.361 44.206 38.234 1.00 8.66 ? 338 VAL A C 1 -ATOM 2604 O O . VAL A 1 380 ? -28.434 44.175 37.631 1.00 9.60 ? 338 VAL A O 1 -ATOM 2605 C CB . VAL A 1 380 ? -25.381 43.121 37.119 1.00 13.68 ? 338 VAL A CB 1 -ATOM 2606 C CG1 . VAL A 1 380 ? -26.414 42.138 36.582 1.00 14.18 ? 338 VAL A CG1 1 -ATOM 2607 C CG2 . VAL A 1 380 ? -24.308 43.353 36.050 1.00 13.56 ? 338 VAL A CG2 1 -ATOM 2608 N N . THR A 1 381 ? -27.290 44.066 39.549 1.00 9.02 ? 339 THR A N 1 -ATOM 2609 C CA . THR A 1 381 ? -28.458 43.906 40.414 1.00 10.26 ? 339 THR A CA 1 -ATOM 2610 C C . THR A 1 381 ? -29.300 45.175 40.364 1.00 11.69 ? 339 THR A C 1 -ATOM 2611 O O . THR A 1 381 ? -30.509 45.146 40.127 1.00 12.00 ? 339 THR A O 1 -ATOM 2612 C CB . THR A 1 381 ? -28.042 43.628 41.869 1.00 11.39 ? 339 THR A CB 1 -ATOM 2613 O OG1 . THR A 1 381 ? -27.388 42.349 41.899 1.00 11.81 ? 339 THR A OG1 1 -ATOM 2614 C CG2 . THR A 1 381 ? -29.261 43.591 42.787 1.00 9.93 ? 339 THR A CG2 1 -ATOM 2615 N N . LEU A 1 382 ? -28.638 46.336 40.495 1.00 10.62 ? 340 LEU A N 1 -ATOM 2616 C CA . LEU A 1 382 ? -29.385 47.600 40.364 1.00 10.36 ? 340 LEU A CA 1 -ATOM 2617 C C . LEU A 1 382 ? -29.974 47.734 38.972 1.00 10.38 ? 340 LEU A C 1 -ATOM 2618 O O . LEU A 1 382 ? -31.153 48.079 38.803 1.00 11.67 ? 340 LEU A O 1 -ATOM 2619 C CB . LEU A 1 382 ? -28.468 48.778 40.699 1.00 12.76 ? 340 LEU A CB 1 -ATOM 2620 C CG . LEU A 1 382 ? -29.072 50.172 40.501 1.00 16.85 ? 340 LEU A CG 1 -ATOM 2621 C CD1 . LEU A 1 382 ? -30.186 50.408 41.517 1.00 19.46 ? 340 LEU A CD1 1 -ATOM 2622 C CD2 . LEU A 1 382 ? -27.994 51.244 40.608 1.00 19.43 ? 340 LEU A CD2 1 -ATOM 2623 N N . ALA A 1 383 ? -29.214 47.416 37.919 1.00 11.63 ? 341 ALA A N 1 -ATOM 2624 C CA . ALA A 1 383 ? -29.695 47.471 36.551 1.00 10.30 ? 341 ALA A CA 1 -ATOM 2625 C C . ALA A 1 383 ? -30.906 46.561 36.338 1.00 13.06 ? 341 ALA A C 1 -ATOM 2626 O O . ALA A 1 383 ? -31.824 46.910 35.588 1.00 13.69 ? 341 ALA A O 1 -ATOM 2627 C CB . ALA A 1 383 ? -28.607 47.081 35.547 1.00 11.68 ? 341 ALA A CB 1 -ATOM 2628 N N . SER A 1 384 ? -30.920 45.399 36.990 1.00 10.09 ? 342 SER A N 1 -ATOM 2629 C CA . SER A 1 384 ? -32.037 44.472 36.881 1.00 12.40 ? 342 SER A CA 1 -ATOM 2630 C C . SER A 1 384 ? -33.295 45.094 37.483 1.00 12.90 ? 342 SER A C 1 -ATOM 2631 O O . SER A 1 384 ? -34.403 44.948 36.960 1.00 12.70 ? 342 SER A O 1 -ATOM 2632 C CB . SER A 1 384 ? -31.714 43.171 37.635 1.00 13.81 ? 342 SER A CB 1 -ATOM 2633 O OG . SER A 1 384 ? -30.641 42.481 37.001 1.00 14.50 ? 342 SER A OG 1 -ATOM 2634 N N . MET A 1 385 ? -33.124 45.795 38.602 1.00 10.70 ? 343 MET A N 1 -ATOM 2635 C CA . MET A 1 385 ? -34.246 46.463 39.262 1.00 12.03 ? 343 MET A CA 1 -ATOM 2636 C C . MET A 1 385 ? -34.829 47.563 38.389 1.00 14.42 ? 343 MET A C 1 -ATOM 2637 O O . MET A 1 385 ? -36.043 47.834 38.430 1.00 14.47 ? 343 MET A O 1 -ATOM 2638 C CB . MET A 1 385 ? -33.827 46.986 40.635 1.00 13.14 ? 343 MET A CB 1 -ATOM 2639 C CG . MET A 1 385 ? -33.557 45.883 41.654 1.00 11.01 ? 343 MET A CG 1 -ATOM 2640 S SD . MET A 1 385 ? -32.909 46.520 43.213 1.00 16.59 ? 343 MET A SD 1 -ATOM 2641 C CE . MET A 1 385 ? -34.416 47.195 43.926 1.00 17.31 ? 343 MET A CE 1 -ATOM 2642 N N . LEU A 1 386 ? -34.004 48.229 37.581 1.00 13.33 ? 344 LEU A N 1 -ATOM 2643 C CA . LEU A 1 386 ? -34.461 49.279 36.684 1.00 14.22 ? 344 LEU A CA 1 -ATOM 2644 C C . LEU A 1 386 ? -35.237 48.703 35.510 1.00 14.12 ? 344 LEU A C 1 -ATOM 2645 O O . LEU A 1 386 ? -36.107 49.373 34.948 1.00 16.44 ? 344 LEU A O 1 -ATOM 2646 C CB . LEU A 1 386 ? -33.283 50.133 36.193 1.00 13.08 ? 344 LEU A CB 1 -ATOM 2647 C CG . LEU A 1 386 ? -32.480 50.824 37.298 1.00 15.33 ? 344 LEU A CG 1 -ATOM 2648 C CD1 . LEU A 1 386 ? -31.225 51.475 36.719 1.00 16.10 ? 344 LEU A CD1 1 -ATOM 2649 C CD2 . LEU A 1 386 ? -33.339 51.852 38.021 1.00 14.90 ? 344 LEU A CD2 1 -ATOM 2650 N N . GLY A 1 387 ? -34.944 47.473 35.114 1.00 11.87 ? 345 GLY A N 1 -ATOM 2651 C CA . GLY A 1 387 ? -35.680 46.754 34.103 1.00 12.15 ? 345 GLY A CA 1 -ATOM 2652 C C . GLY A 1 387 ? -35.446 47.087 32.653 1.00 13.69 ? 345 GLY A C 1 -ATOM 2653 O O . GLY A 1 387 ? -36.276 46.721 31.814 1.00 15.99 ? 345 GLY A O 1 -ATOM 2654 N N . GLN A 1 388 ? -34.323 47.736 32.321 1.00 10.40 ? 346 GLN A N 1 -ATOM 2655 C CA . GLN A 1 388 ? -34.089 48.129 30.943 1.00 11.62 ? 346 GLN A CA 1 -ATOM 2656 C C . GLN A 1 388 ? -33.037 47.287 30.230 1.00 12.42 ? 346 GLN A C 1 -ATOM 2657 O O . GLN A 1 388 ? -32.715 47.618 29.087 1.00 13.85 ? 346 GLN A O 1 -ATOM 2658 C CB . GLN A 1 388 ? -33.709 49.614 30.854 1.00 13.72 ? 346 GLN A CB 1 -ATOM 2659 C CG . GLN A 1 388 ? -34.634 50.498 31.698 1.00 16.99 ? 346 GLN A CG 1 -ATOM 2660 C CD . GLN A 1 388 ? -34.096 51.909 31.839 1.00 17.60 ? 346 GLN A CD 1 -ATOM 2661 O OE1 . GLN A 1 388 ? -33.267 52.346 31.043 1.00 16.89 ? 346 GLN A OE1 1 -ATOM 2662 N NE2 . GLN A 1 388 ? -34.569 52.625 32.854 1.00 18.93 ? 346 GLN A NE2 1 -ATOM 2663 N N . ILE A 1 389 ? -32.540 46.250 30.878 1.00 11.72 ? 347 ILE A N 1 -ATOM 2664 C CA . ILE A 1 389 ? -31.541 45.408 30.192 1.00 11.85 ? 347 ILE A CA 1 -ATOM 2665 C C . ILE A 1 389 ? -32.158 44.841 28.921 1.00 13.39 ? 347 ILE A C 1 -ATOM 2666 O O . ILE A 1 389 ? -33.272 44.304 28.911 1.00 14.22 ? 347 ILE A O 1 -ATOM 2667 C CB . ILE A 1 389 ? -31.081 44.281 31.128 1.00 12.31 ? 347 ILE A CB 1 -ATOM 2668 C CG1 . ILE A 1 389 ? -30.272 44.895 32.283 1.00 12.23 ? 347 ILE A CG1 1 -ATOM 2669 C CG2 . ILE A 1 389 ? -30.299 43.222 30.354 1.00 11.13 ? 347 ILE A CG2 1 -ATOM 2670 C CD1 . ILE A 1 389 ? -30.031 43.904 33.415 1.00 13.85 ? 347 ILE A CD1 1 -ATOM 2671 N N . GLY A 1 390 ? -31.474 45.000 27.791 1.00 11.35 ? 348 GLY A N 1 -ATOM 2672 C CA . GLY A 1 390 ? -31.954 44.492 26.517 1.00 10.87 ? 348 GLY A CA 1 -ATOM 2673 C C . GLY A 1 390 ? -32.759 45.492 25.715 1.00 13.91 ? 348 GLY A C 1 -ATOM 2674 O O . GLY A 1 390 ? -33.129 45.190 24.576 1.00 15.00 ? 348 GLY A O 1 -ATOM 2675 N N . LEU A 1 391 ? -33.043 46.667 26.266 1.00 11.66 ? 349 LEU A N 1 -ATOM 2676 C CA . LEU A 1 391 ? -33.756 47.696 25.507 1.00 13.12 ? 349 LEU A CA 1 -ATOM 2677 C C . LEU A 1 391 ? -32.717 48.575 24.815 1.00 15.99 ? 349 LEU A C 1 -ATOM 2678 O O . LEU A 1 391 ? -31.640 48.787 25.372 1.00 17.55 ? 349 LEU A O 1 -ATOM 2679 C CB . LEU A 1 391 ? -34.574 48.562 26.462 1.00 15.35 ? 349 LEU A CB 1 -ATOM 2680 C CG . LEU A 1 391 ? -35.824 47.920 27.070 1.00 17.32 ? 349 LEU A CG 1 -ATOM 2681 C CD1 . LEU A 1 391 ? -36.395 48.819 28.158 1.00 21.22 ? 349 LEU A CD1 1 -ATOM 2682 C CD2 . LEU A 1 391 ? -36.871 47.682 25.991 1.00 22.30 ? 349 LEU A CD2 1 -ATOM 2683 N N . PRO A 1 392 ? -33.032 49.086 23.638 1.00 16.06 ? 350 PRO A N 1 -ATOM 2684 C CA . PRO A 1 392 ? -32.133 49.976 22.933 1.00 15.47 ? 350 PRO A CA 1 -ATOM 2685 C C . PRO A 1 392 ? -31.786 51.170 23.811 1.00 14.35 ? 350 PRO A C 1 -ATOM 2686 O O . PRO A 1 392 ? -32.684 51.894 24.255 1.00 14.13 ? 350 PRO A O 1 -ATOM 2687 C CB . PRO A 1 392 ? -32.897 50.402 21.692 1.00 16.50 ? 350 PRO A CB 1 -ATOM 2688 C CG . PRO A 1 392 ? -34.077 49.510 21.577 1.00 18.36 ? 350 PRO A CG 1 -ATOM 2689 C CD . PRO A 1 392 ? -34.328 48.914 22.939 1.00 18.08 ? 350 PRO A CD 1 -ATOM 2690 N N . GLY A 1 393 ? -30.497 51.353 24.093 1.00 14.19 ? 351 GLY A N 1 -ATOM 2691 C CA . GLY A 1 393 ? -30.024 52.465 24.889 1.00 13.02 ? 351 GLY A CA 1 -ATOM 2692 C C . GLY A 1 393 ? -30.165 52.322 26.392 1.00 12.57 ? 351 GLY A C 1 -ATOM 2693 O O . GLY A 1 393 ? -29.812 53.268 27.112 1.00 13.89 ? 351 GLY A O 1 -ATOM 2694 N N . GLY A 1 394 ? -30.654 51.195 26.893 1.00 11.63 ? 352 GLY A N 1 -ATOM 2695 C CA . GLY A 1 394 ? -30.796 50.987 28.333 1.00 12.88 ? 352 GLY A CA 1 -ATOM 2696 C C . GLY A 1 394 ? -29.922 49.838 28.836 1.00 11.96 ? 352 GLY A C 1 -ATOM 2697 O O . GLY A 1 394 ? -29.316 49.116 28.049 1.00 15.03 ? 352 GLY A O 1 -ATOM 2698 N N . GLY A 1 395 ? -29.854 49.658 30.150 1.00 10.98 ? 353 GLY A N 1 -ATOM 2699 C CA . GLY A 1 395 ? -29.095 48.559 30.725 1.00 10.94 ? 353 GLY A CA 1 -ATOM 2700 C C . GLY A 1 395 ? -27.760 49.013 31.306 1.00 11.36 ? 353 GLY A C 1 -ATOM 2701 O O . GLY A 1 395 ? -27.688 49.996 32.039 1.00 9.87 ? 353 GLY A O 1 -ATOM 2702 N N . PHE A 1 396 ? -26.711 48.245 31.013 1.00 9.09 ? 354 PHE A N 1 -ATOM 2703 C CA . PHE A 1 396 ? -25.382 48.556 31.554 1.00 8.19 ? 354 PHE A CA 1 -ATOM 2704 C C . PHE A 1 396 ? -24.344 48.149 30.508 1.00 8.28 ? 354 PHE A C 1 -ATOM 2705 O O . PHE A 1 396 ? -24.646 47.386 29.582 1.00 11.52 ? 354 PHE A O 1 -ATOM 2706 C CB . PHE A 1 396 ? -25.140 47.827 32.884 1.00 9.34 ? 354 PHE A CB 1 -ATOM 2707 C CG . PHE A 1 396 ? -25.025 46.334 32.715 1.00 11.04 ? 354 PHE A CG 1 -ATOM 2708 C CD1 . PHE A 1 396 ? -26.168 45.551 32.675 1.00 11.88 ? 354 PHE A CD1 1 -ATOM 2709 C CD2 . PHE A 1 396 ? -23.786 45.725 32.587 1.00 12.35 ? 354 PHE A CD2 1 -ATOM 2710 C CE1 . PHE A 1 396 ? -26.089 44.178 32.507 1.00 12.95 ? 354 PHE A CE1 1 -ATOM 2711 C CE2 . PHE A 1 396 ? -23.706 44.354 32.410 1.00 14.69 ? 354 PHE A CE2 1 -ATOM 2712 C CZ . PHE A 1 396 ? -24.848 43.580 32.359 1.00 12.16 ? 354 PHE A CZ 1 -ATOM 2713 N N . GLY A 1 397 ? -23.131 48.661 30.660 1.00 10.30 ? 355 GLY A N 1 -ATOM 2714 C CA . GLY A 1 397 ? -22.049 48.313 29.724 1.00 9.44 ? 355 GLY A CA 1 -ATOM 2715 C C . GLY A 1 397 ? -20.730 48.415 30.495 1.00 10.43 ? 355 GLY A C 1 -ATOM 2716 O O . GLY A 1 397 ? -20.533 49.425 31.171 1.00 9.27 ? 355 GLY A O 1 -ATOM 2717 N N . LEU A 1 398 ? -19.886 47.380 30.388 1.00 8.63 ? 356 LEU A N 1 -ATOM 2718 C CA . LEU A 1 398 ? -18.629 47.417 31.123 1.00 8.48 ? 356 LEU A CA 1 -ATOM 2719 C C . LEU A 1 398 ? -17.415 47.665 30.242 1.00 10.05 ? 356 LEU A C 1 -ATOM 2720 O O . LEU A 1 398 ? -16.287 47.509 30.744 1.00 9.53 ? 356 LEU A O 1 -ATOM 2721 C CB . LEU A 1 398 ? -18.426 46.121 31.922 1.00 8.72 ? 356 LEU A CB 1 -ATOM 2722 C CG . LEU A 1 398 ? -19.617 45.665 32.777 1.00 12.64 ? 356 LEU A CG 1 -ATOM 2723 C CD1 . LEU A 1 398 ? -19.233 44.379 33.508 1.00 13.27 ? 356 LEU A CD1 1 -ATOM 2724 C CD2 . LEU A 1 398 ? -20.072 46.754 33.734 1.00 13.26 ? 356 LEU A CD2 1 -ATOM 2725 N N . SER A 1 399 ? -17.613 48.085 28.989 1.00 7.89 ? 357 SER A N 1 -ATOM 2726 C CA . SER A 1 399 ? -16.423 48.370 28.169 1.00 8.92 ? 357 SER A CA 1 -ATOM 2727 C C . SER A 1 399 ? -16.546 49.602 27.289 1.00 8.97 ? 357 SER A C 1 -ATOM 2728 O O . SER A 1 399 ? -15.848 49.681 26.268 1.00 10.13 ? 357 SER A O 1 -ATOM 2729 C CB . SER A 1 399 ? -16.070 47.135 27.323 1.00 7.91 ? 357 SER A CB 1 -ATOM 2730 O OG . SER A 1 399 ? -14.749 47.294 26.785 1.00 10.46 ? 357 SER A OG 1 -ATOM 2731 N N . TYR A 1 400 ? -17.308 50.627 27.680 1.00 7.45 ? 358 TYR A N 1 -ATOM 2732 C CA . TYR A 1 400 ? -17.412 51.851 26.887 1.00 9.69 ? 358 TYR A CA 1 -ATOM 2733 C C . TYR A 1 400 ? -16.169 52.727 27.025 1.00 11.47 ? 358 TYR A C 1 -ATOM 2734 O O . TYR A 1 400 ? -15.926 53.622 26.208 1.00 12.44 ? 358 TYR A O 1 -ATOM 2735 C CB . TYR A 1 400 ? -18.649 52.669 27.289 1.00 11.25 ? 358 TYR A CB 1 -ATOM 2736 C CG . TYR A 1 400 ? -19.931 52.150 26.656 1.00 10.82 ? 358 TYR A CG 1 -ATOM 2737 C CD1 . TYR A 1 400 ? -20.123 52.146 25.282 1.00 10.11 ? 358 TYR A CD1 1 -ATOM 2738 C CD2 . TYR A 1 400 ? -20.945 51.655 27.470 1.00 11.58 ? 358 TYR A CD2 1 -ATOM 2739 C CE1 . TYR A 1 400 ? -21.298 51.652 24.735 1.00 10.45 ? 358 TYR A CE1 1 -ATOM 2740 C CE2 . TYR A 1 400 ? -22.125 51.168 26.931 1.00 10.45 ? 358 TYR A CE2 1 -ATOM 2741 C CZ . TYR A 1 400 ? -22.295 51.173 25.560 1.00 12.70 ? 358 TYR A CZ 1 -ATOM 2742 O OH . TYR A 1 400 ? -23.470 50.684 25.027 1.00 11.75 ? 358 TYR A OH 1 -ATOM 2743 N N . HIS A 1 401 ? -15.356 52.488 28.046 1.00 8.10 ? 359 HIS A N 1 -ATOM 2744 C CA . HIS A 1 401 ? -14.142 53.240 28.289 1.00 8.54 ? 359 HIS A CA 1 -ATOM 2745 C C . HIS A 1 401 ? -12.906 52.516 27.788 1.00 9.16 ? 359 HIS A C 1 -ATOM 2746 O O . HIS A 1 401 ? -11.800 53.029 27.966 1.00 8.90 ? 359 HIS A O 1 -ATOM 2747 C CB . HIS A 1 401 ? -14.006 53.457 29.820 1.00 9.37 ? 359 HIS A CB 1 -ATOM 2748 C CG . HIS A 1 401 ? -13.843 52.131 30.505 1.00 9.13 ? 359 HIS A CG 1 -ATOM 2749 N ND1 . HIS A 1 401 ? -14.870 51.210 30.555 1.00 9.53 ? 359 HIS A ND1 1 -ATOM 2750 C CD2 . HIS A 1 401 ? -12.777 51.562 31.129 1.00 10.81 ? 359 HIS A CD2 1 -ATOM 2751 C CE1 . HIS A 1 401 ? -14.447 50.125 31.187 1.00 11.07 ? 359 HIS A CE1 1 -ATOM 2752 N NE2 . HIS A 1 401 ? -13.185 50.311 31.546 1.00 7.70 ? 359 HIS A NE2 1 -ATOM 2753 N N . TYR A 1 402 ? -13.050 51.317 27.218 1.00 8.54 ? 360 TYR A N 1 -ATOM 2754 C CA . TYR A 1 402 ? -11.838 50.568 26.855 1.00 4.77 ? 360 TYR A CA 1 -ATOM 2755 C C . TYR A 1 402 ? -11.828 50.094 25.418 1.00 7.94 ? 360 TYR A C 1 -ATOM 2756 O O . TYR A 1 402 ? -12.776 49.448 24.985 1.00 8.55 ? 360 TYR A O 1 -ATOM 2757 C CB . TYR A 1 402 ? -11.807 49.320 27.757 1.00 7.74 ? 360 TYR A CB 1 -ATOM 2758 C CG . TYR A 1 402 ? -10.697 48.343 27.434 1.00 9.99 ? 360 TYR A CG 1 -ATOM 2759 C CD1 . TYR A 1 402 ? -9.384 48.640 27.806 1.00 11.02 ? 360 TYR A CD1 1 -ATOM 2760 C CD2 . TYR A 1 402 ? -10.961 47.150 26.770 1.00 11.97 ? 360 TYR A CD2 1 -ATOM 2761 C CE1 . TYR A 1 402 ? -8.364 47.749 27.514 1.00 14.14 ? 360 TYR A CE1 1 -ATOM 2762 C CE2 . TYR A 1 402 ? -9.931 46.265 26.479 1.00 11.72 ? 360 TYR A CE2 1 -ATOM 2763 C CZ . TYR A 1 402 ? -8.644 46.577 26.854 1.00 14.78 ? 360 TYR A CZ 1 -ATOM 2764 O OH . TYR A 1 402 ? -7.615 45.698 26.567 1.00 17.53 ? 360 TYR A OH 1 -ATOM 2765 N N . SER A 1 403 ? -10.755 50.386 24.700 1.00 8.97 ? 361 SER A N 1 -ATOM 2766 C CA . SER A 1 403 ? -10.513 49.922 23.351 1.00 8.56 ? 361 SER A CA 1 -ATOM 2767 C C . SER A 1 403 ? -11.655 50.019 22.359 1.00 10.17 ? 361 SER A C 1 -ATOM 2768 O O . SER A 1 403 ? -11.828 49.144 21.505 1.00 9.82 ? 361 SER A O 1 -ATOM 2769 C CB . SER A 1 403 ? -9.995 48.467 23.436 1.00 13.33 ? 361 SER A CB 1 -ATOM 2770 O OG . SER A 1 403 ? -8.726 48.457 24.098 1.00 10.68 ? 361 SER A OG 1 -ATOM 2771 N N . GLY A 1 404 ? -12.429 51.090 22.400 1.00 9.78 ? 362 GLY A N 1 -ATOM 2772 C CA . GLY A 1 404 ? -13.511 51.359 21.481 1.00 10.45 ? 362 GLY A CA 1 -ATOM 2773 C C . GLY A 1 404 ? -14.764 50.528 21.646 1.00 11.40 ? 362 GLY A C 1 -ATOM 2774 O O . GLY A 1 404 ? -15.530 50.438 20.674 1.00 11.20 ? 362 GLY A O 1 -ATOM 2775 N N . GLY A 1 405 ? -15.026 49.954 22.814 1.00 10.23 ? 363 GLY A N 1 -ATOM 2776 C CA . GLY A 1 405 ? -16.256 49.154 22.975 1.00 8.16 ? 363 GLY A CA 1 -ATOM 2777 C C . GLY A 1 405 ? -17.453 50.016 22.585 1.00 10.33 ? 363 GLY A C 1 -ATOM 2778 O O . GLY A 1 405 ? -17.548 51.178 22.989 1.00 10.77 ? 363 GLY A O 1 -ATOM 2779 N N . GLY A 1 406 ? -18.340 49.465 21.763 1.00 8.72 ? 364 GLY A N 1 -ATOM 2780 C CA . GLY A 1 406 ? -19.498 50.213 21.288 1.00 10.08 ? 364 GLY A CA 1 -ATOM 2781 C C . GLY A 1 406 ? -19.317 50.686 19.853 1.00 11.52 ? 364 GLY A C 1 -ATOM 2782 O O . GLY A 1 406 ? -20.294 51.150 19.240 1.00 11.78 ? 364 GLY A O 1 -ATOM 2783 N N . THR A 1 407 ? -18.078 50.728 19.369 1.00 9.60 ? 365 THR A N 1 -ATOM 2784 C CA . THR A 1 407 ? -17.870 51.147 17.957 1.00 10.61 ? 365 THR A CA 1 -ATOM 2785 C C . THR A 1 407 ? -18.399 50.031 17.079 1.00 11.11 ? 365 THR A C 1 -ATOM 2786 O O . THR A 1 407 ? -18.043 48.866 17.258 1.00 9.27 ? 365 THR A O 1 -ATOM 2787 C CB . THR A 1 407 ? -16.368 51.370 17.715 1.00 11.92 ? 365 THR A CB 1 -ATOM 2788 O OG1 . THR A 1 407 ? -15.848 52.299 18.674 1.00 12.73 ? 365 THR A OG1 1 -ATOM 2789 C CG2 . THR A 1 407 ? -16.122 51.919 16.310 1.00 13.42 ? 365 THR A CG2 1 -ATOM 2790 N N . PRO A 1 408 ? -19.300 50.306 16.134 1.00 12.92 ? 366 PRO A N 1 -ATOM 2791 C CA . PRO A 1 408 ? -19.888 49.276 15.299 1.00 12.06 ? 366 PRO A CA 1 -ATOM 2792 C C . PRO A 1 408 ? -18.905 48.294 14.688 1.00 12.38 ? 366 PRO A C 1 -ATOM 2793 O O . PRO A 1 408 ? -17.897 48.671 14.071 1.00 12.89 ? 366 PRO A O 1 -ATOM 2794 C CB . PRO A 1 408 ? -20.632 50.078 14.228 1.00 13.92 ? 366 PRO A CB 1 -ATOM 2795 C CG . PRO A 1 408 ? -20.993 51.359 14.910 1.00 12.41 ? 366 PRO A CG 1 -ATOM 2796 C CD . PRO A 1 408 ? -19.822 51.659 15.831 1.00 10.25 ? 366 PRO A CD 1 -ATOM 2797 N N . SER A 1 409 ? -19.169 47.000 14.848 1.00 12.14 ? 367 SER A N 1 -ATOM 2798 C CA . SER A 1 409 ? -18.304 45.975 14.278 1.00 14.61 ? 367 SER A CA 1 -ATOM 2799 C C . SER A 1 409 ? -18.556 45.824 12.773 1.00 15.14 ? 367 SER A C 1 -ATOM 2800 O O . SER A 1 409 ? -19.683 45.980 12.317 1.00 16.21 ? 367 SER A O 1 -ATOM 2801 C CB . SER A 1 409 ? -18.531 44.595 14.897 1.00 16.54 ? 367 SER A CB 1 -ATOM 2802 O OG . SER A 1 409 ? -18.340 44.638 16.296 1.00 21.60 ? 367 SER A OG 1 -ATOM 2803 N N . THR A 1 410 ? -17.499 45.501 12.051 1.00 13.25 ? 368 THR A N 1 -ATOM 2804 C CA . THR A 1 410 ? -17.591 45.268 10.614 1.00 13.51 ? 368 THR A CA 1 -ATOM 2805 C C . THR A 1 410 ? -17.907 43.791 10.379 1.00 14.96 ? 368 THR A C 1 -ATOM 2806 O O . THR A 1 410 ? -17.963 43.005 11.329 1.00 14.56 ? 368 THR A O 1 -ATOM 2807 C CB . THR A 1 410 ? -16.271 45.580 9.881 1.00 11.80 ? 368 THR A CB 1 -ATOM 2808 O OG1 . THR A 1 410 ? -15.276 44.599 10.228 1.00 13.52 ? 368 THR A OG1 1 -ATOM 2809 C CG2 . THR A 1 410 ? -15.767 46.971 10.226 1.00 14.14 ? 368 THR A CG2 1 -ATOM 2810 N N . SER A 1 411 ? -18.012 43.397 9.112 1.00 15.71 ? 369 SER A N 1 -ATOM 2811 C CA . SER A 1 411 ? -18.245 42.007 8.763 1.00 19.23 ? 369 SER A CA 1 -ATOM 2812 C C . SER A 1 411 ? -16.948 41.325 8.329 1.00 19.08 ? 369 SER A C 1 -ATOM 2813 O O . SER A 1 411 ? -16.973 40.241 7.755 1.00 19.21 ? 369 SER A O 1 -ATOM 2814 C CB . SER A 1 411 ? -19.255 41.911 7.607 1.00 21.21 ? 369 SER A CB 1 -ATOM 2815 O OG . SER A 1 411 ? -18.851 42.758 6.544 1.00 24.65 ? 369 SER A OG 1 -ATOM 2816 N N . GLY A 1 412 ? -15.803 41.946 8.590 1.00 19.02 ? 370 GLY A N 1 -ATOM 2817 C CA . GLY A 1 412 ? -14.522 41.402 8.173 1.00 18.55 ? 370 GLY A CA 1 -ATOM 2818 C C . GLY A 1 412 ? -14.109 40.169 8.958 1.00 17.27 ? 370 GLY A C 1 -ATOM 2819 O O . GLY A 1 412 ? -14.623 39.878 10.034 1.00 16.16 ? 370 GLY A O 1 -ATOM 2820 N N . PRO A 1 413 ? -13.118 39.453 8.443 1.00 16.54 ? 371 PRO A N 1 -ATOM 2821 C CA . PRO A 1 413 ? -12.576 38.264 9.072 1.00 14.83 ? 371 PRO A CA 1 -ATOM 2822 C C . PRO A 1 413 ? -11.660 38.572 10.245 1.00 15.44 ? 371 PRO A C 1 -ATOM 2823 O O . PRO A 1 413 ? -11.121 39.671 10.344 1.00 17.44 ? 371 PRO A O 1 -ATOM 2824 C CB . PRO A 1 413 ? -11.732 37.636 7.961 1.00 17.45 ? 371 PRO A CB 1 -ATOM 2825 C CG . PRO A 1 413 ? -11.254 38.813 7.170 1.00 16.58 ? 371 PRO A CG 1 -ATOM 2826 C CD . PRO A 1 413 ? -12.435 39.751 7.153 1.00 16.20 ? 371 PRO A CD 1 -ATOM 2827 N N . ALA A 1 414 ? -11.398 37.556 11.063 1.00 16.56 ? 372 ALA A N 1 -ATOM 2828 C CA . ALA A 1 414 ? -10.494 37.688 12.196 1.00 20.85 ? 372 ALA A CA 1 -ATOM 2829 C C . ALA A 1 414 ? -9.077 37.356 11.726 1.00 21.54 ? 372 ALA A C 1 -ATOM 2830 O O . ALA A 1 414 ? -8.876 36.487 10.884 1.00 24.59 ? 372 ALA A O 1 -ATOM 2831 C CB . ALA A 1 414 ? -10.869 36.745 13.335 1.00 22.29 ? 372 ALA A CB 1 -ATOM 2832 N N . LEU A 1 415 ? -8.111 38.084 12.252 1.00 17.37 ? 373 LEU A N 1 -ATOM 2833 C CA . LEU A 1 415 ? -6.708 37.850 11.909 1.00 13.97 ? 373 LEU A CA 1 -ATOM 2834 C C . LEU A 1 415 ? -6.084 37.001 13.008 1.00 18.51 ? 373 LEU A C 1 -ATOM 2835 O O . LEU A 1 415 ? -6.428 37.205 14.176 1.00 21.18 ? 373 LEU A O 1 -ATOM 2836 C CB . LEU A 1 415 ? -6.045 39.213 11.773 1.00 14.65 ? 373 LEU A CB 1 -ATOM 2837 C CG . LEU A 1 415 ? -4.566 39.265 11.419 1.00 13.33 ? 373 LEU A CG 1 -ATOM 2838 C CD1 . LEU A 1 415 ? -4.298 38.762 10.004 1.00 15.32 ? 373 LEU A CD1 1 -ATOM 2839 C CD2 . LEU A 1 415 ? -4.111 40.720 11.584 1.00 12.31 ? 373 LEU A CD2 1 -ATOM 2840 N N . ALA A 1 416 ? -5.287 36.010 12.648 1.00 16.05 ? 374 ALA A N 1 -ATOM 2841 C CA . ALA A 1 416 ? -4.638 35.148 13.631 1.00 18.98 ? 374 ALA A CA 1 -ATOM 2842 C C . ALA A 1 416 ? -3.146 35.478 13.611 1.00 15.99 ? 374 ALA A C 1 -ATOM 2843 O O . ALA A 1 416 ? -2.723 36.242 12.745 1.00 17.20 ? 374 ALA A O 1 -ATOM 2844 C CB . ALA A 1 416 ? -4.868 33.675 13.328 1.00 20.84 ? 374 ALA A CB 1 -ATOM 2845 N N . GLY A 1 417 ? -2.397 34.979 14.578 1.00 15.14 ? 375 GLY A N 1 -ATOM 2846 C CA . GLY A 1 417 ? -0.974 35.267 14.663 1.00 12.39 ? 375 GLY A CA 1 -ATOM 2847 C C . GLY A 1 417 ? -0.214 34.043 15.164 1.00 14.75 ? 375 GLY A C 1 -ATOM 2848 O O . GLY A 1 417 ? -0.739 32.930 15.153 1.00 13.93 ? 375 GLY A O 1 -ATOM 2849 N N . ILE A 1 418 ? 1.056 34.248 15.489 1.00 12.72 ? 376 ILE A N 1 -ATOM 2850 C CA . ILE A 1 418 ? 1.907 33.152 15.959 1.00 13.93 ? 376 ILE A CA 1 -ATOM 2851 C C . ILE A 1 418 ? 1.376 32.629 17.286 1.00 14.76 ? 376 ILE A C 1 -ATOM 2852 O O . ILE A 1 418 ? 0.715 33.335 18.056 1.00 12.72 ? 376 ILE A O 1 -ATOM 2853 C CB . ILE A 1 418 ? 3.379 33.586 16.022 1.00 13.77 ? 376 ILE A CB 1 -ATOM 2854 C CG1 . ILE A 1 418 ? 4.315 32.376 16.145 1.00 14.78 ? 376 ILE A CG1 1 -ATOM 2855 C CG2 . ILE A 1 418 ? 3.639 34.577 17.149 1.00 15.40 ? 376 ILE A CG2 1 -ATOM 2856 C CD1 . ILE A 1 418 ? 5.675 32.624 15.509 1.00 17.69 ? 376 ILE A CD1 1 -ATOM 2857 N N . THR A 1 419 ? 1.542 31.326 17.505 1.00 13.79 ? 377 THR A N 1 -ATOM 2858 C CA . THR A 1 419 ? 1.011 30.684 18.704 1.00 14.58 ? 377 THR A CA 1 -ATOM 2859 C C . THR A 1 419 ? 2.151 30.158 19.563 1.00 13.62 ? 377 THR A C 1 -ATOM 2860 O O . THR A 1 419 ? 3.307 30.122 19.133 1.00 12.56 ? 377 THR A O 1 -ATOM 2861 C CB . THR A 1 419 ? 0.066 29.518 18.365 1.00 17.49 ? 377 THR A CB 1 -ATOM 2862 O OG1 . THR A 1 419 ? 0.841 28.425 17.854 1.00 18.96 ? 377 THR A OG1 1 -ATOM 2863 C CG2 . THR A 1 419 ? -0.970 29.898 17.314 1.00 21.19 ? 377 THR A CG2 1 -ATOM 2864 N N . ASP A 1 420 ? 1.840 29.736 20.791 1.00 12.48 ? 378 ASP A N 1 -ATOM 2865 C CA . ASP A 1 420 ? 2.906 29.182 21.638 1.00 17.27 ? 378 ASP A CA 1 -ATOM 2866 C C . ASP A 1 420 ? 3.113 27.707 21.331 1.00 20.60 ? 378 ASP A C 1 -ATOM 2867 O O . ASP A 1 420 ? 4.005 27.038 21.853 1.00 18.84 ? 378 ASP A O 1 -ATOM 2868 C CB . ASP A 1 420 ? 2.639 29.460 23.109 1.00 19.10 ? 378 ASP A CB 1 -ATOM 2869 C CG . ASP A 1 420 ? 1.278 29.033 23.610 1.00 24.17 ? 378 ASP A CG 1 -ATOM 2870 O OD1 . ASP A 1 420 ? 0.762 27.987 23.163 1.00 24.00 ? 378 ASP A OD1 1 -ATOM 2871 O OD2 . ASP A 1 420 ? 0.716 29.745 24.474 1.00 28.53 ? 378 ASP A OD2 1 -ATOM 2872 N N . GLY A 1 421 ? 2.276 27.135 20.472 1.00 26.40 ? 379 GLY A N 1 -ATOM 2873 C CA . GLY A 1 421 ? 2.325 25.750 20.062 1.00 34.60 ? 379 GLY A CA 1 -ATOM 2874 C C . GLY A 1 421 ? 1.658 24.781 21.027 1.00 38.75 ? 379 GLY A C 1 -ATOM 2875 O O . GLY A 1 421 ? 1.495 23.601 20.698 1.00 40.97 ? 379 GLY A O 1 -ATOM 2876 N N . GLY A 1 422 ? 1.281 25.225 22.218 1.00 41.55 ? 380 GLY A N 1 -ATOM 2877 C CA . GLY A 1 422 ? 0.672 24.395 23.238 1.00 43.62 ? 380 GLY A CA 1 -ATOM 2878 C C . GLY A 1 422 ? -0.503 23.575 22.715 1.00 45.36 ? 380 GLY A C 1 -ATOM 2879 O O . GLY A 1 422 ? -0.833 22.541 23.308 1.00 46.85 ? 380 GLY A O 1 -ATOM 2880 N N . ALA A 1 423 ? -1.346 23.911 21.845 0.00 52.09 ? 381 ALA A N 1 -ATOM 2881 C CA . ALA A 1 423 ? -2.548 23.182 21.466 0.00 55.15 ? 381 ALA A CA 1 -ATOM 2882 C C . ALA A 1 423 ? -2.293 22.019 20.517 0.00 56.72 ? 381 ALA A C 1 -ATOM 2883 O O . ALA A 1 423 ? -3.228 21.304 20.143 0.00 57.69 ? 381 ALA A O 1 -ATOM 2884 C CB . ALA A 1 423 ? -3.554 24.139 20.833 0.00 55.41 ? 381 ALA A CB 1 -ATOM 2885 N N . ALA A 1 424 ? -1.057 21.825 20.086 0.00 58.07 ? 382 ALA A N 1 -ATOM 2886 C CA . ALA A 1 424 ? -0.687 20.720 19.206 0.00 59.93 ? 382 ALA A CA 1 -ATOM 2887 C C . ALA A 1 424 ? 0.610 20.128 19.759 0.00 60.61 ? 382 ALA A C 1 -ATOM 2888 O O . ALA A 1 424 ? 1.643 20.057 19.101 0.00 62.72 ? 382 ALA A O 1 -ATOM 2889 C CB . ALA A 1 424 ? -0.542 21.177 17.770 0.00 59.75 ? 382 ALA A CB 1 -ATOM 2890 N N . THR A 1 425 ? 0.554 19.768 21.042 0.00 60.12 ? 383 THR A N 1 -ATOM 2891 C CA . THR A 1 425 ? 1.701 19.256 21.758 0.00 58.19 ? 383 THR A CA 1 -ATOM 2892 C C . THR A 1 425 ? 1.522 17.905 22.436 0.00 61.44 ? 383 THR A C 1 -ATOM 2893 O O . THR A 1 425 ? 1.245 16.834 21.918 0.00 63.24 ? 383 THR A O 1 -ATOM 2894 C CB . THR A 1 425 ? 2.111 20.236 22.895 0.00 54.88 ? 383 THR A CB 1 -ATOM 2895 O OG1 . THR A 1 425 ? 0.943 20.423 23.717 0.00 50.74 ? 383 THR A OG1 1 -ATOM 2896 C CG2 . THR A 1 425 ? 2.678 21.536 22.399 0.00 51.44 ? 383 THR A CG2 1 -ATOM 2897 N N . LYS A 1 426 ? 1.615 17.932 23.736 0.00 63.08 ? 384 LYS A N 1 -ATOM 2898 C CA . LYS A 1 426 ? 1.641 17.023 24.828 0.00 63.79 ? 384 LYS A CA 1 -ATOM 2899 C C . LYS A 1 426 ? 2.744 17.626 25.728 0.00 67.80 ? 384 LYS A C 1 -ATOM 2900 O O . LYS A 1 426 ? 3.916 17.295 25.606 0.00 70.18 ? 384 LYS A O 1 -ATOM 2901 C CB . LYS A 1 426 ? 1.940 15.572 24.492 0.00 57.93 ? 384 LYS A CB 1 -ATOM 2902 C CG . LYS A 1 426 ? 0.710 14.772 24.107 0.00 51.03 ? 384 LYS A CG 1 -ATOM 2903 C CD . LYS A 1 426 ? 0.494 13.541 24.970 0.00 46.60 ? 384 LYS A CD 1 -ATOM 2904 C CE . LYS A 1 426 ? -0.669 12.731 24.402 0.00 42.72 ? 384 LYS A CE 1 -ATOM 2905 N NZ . LYS A 1 426 ? -0.605 11.303 24.828 0.00 40.36 ? 384 LYS A NZ 1 -ATOM 2906 N N . GLY A 1 427 ? 2.334 18.644 26.479 0.00 70.73 ? 385 GLY A N 1 -ATOM 2907 C CA . GLY A 1 427 ? 3.260 19.365 27.344 0.00 71.95 ? 385 GLY A CA 1 -ATOM 2908 C C . GLY A 1 427 ? 3.689 18.485 28.514 0.00 71.30 ? 385 GLY A C 1 -ATOM 2909 O O . GLY A 1 427 ? 3.757 17.261 28.407 0.00 73.25 ? 385 GLY A O 1 -ATOM 2910 N N . PRO A 1 428 ? 3.971 19.122 29.645 0.00 68.95 ? 386 PRO A N 1 -ATOM 2911 C CA . PRO A 1 428 ? 4.428 18.435 30.833 0.00 67.73 ? 386 PRO A CA 1 -ATOM 2912 C C . PRO A 1 428 ? 3.423 17.461 31.420 0.00 68.04 ? 386 PRO A C 1 -ATOM 2913 O O . PRO A 1 428 ? 2.212 17.580 31.251 0.00 70.57 ? 386 PRO A O 1 -ATOM 2914 C CB . PRO A 1 428 ? 4.756 19.543 31.826 0.00 65.91 ? 386 PRO A CB 1 -ATOM 2915 C CG . PRO A 1 428 ? 4.788 20.809 31.051 0.00 64.33 ? 386 PRO A CG 1 -ATOM 2916 C CD . PRO A 1 428 ? 3.920 20.592 29.842 0.00 66.51 ? 386 PRO A CD 1 -ATOM 2917 N N . GLU A 1 429 ? 3.963 16.459 32.108 0.00 66.20 ? 387 GLU A N 1 -ATOM 2918 C CA . GLU A 1 429 ? 3.131 15.503 32.846 0.00 63.51 ? 387 GLU A CA 1 -ATOM 2919 C C . GLU A 1 429 ? 3.065 16.135 34.241 0.00 67.13 ? 387 GLU A C 1 -ATOM 2920 O O . GLU A 1 429 ? 4.063 16.190 34.957 0.00 69.04 ? 387 GLU A O 1 -ATOM 2921 C CB . GLU A 1 429 ? 3.710 14.108 32.833 0.00 56.05 ? 387 GLU A CB 1 -ATOM 2922 C CG . GLU A 1 429 ? 3.159 13.226 31.713 0.00 48.39 ? 387 GLU A CG 1 -ATOM 2923 C CD . GLU A 1 429 ? 3.143 11.763 32.116 0.00 44.51 ? 387 GLU A CD 1 -ATOM 2924 O OE1 . GLU A 1 429 ? 3.934 11.395 33.015 0.00 43.32 ? 387 GLU A OE1 1 -ATOM 2925 O OE2 . GLU A 1 429 ? 2.346 10.984 31.546 0.00 42.98 ? 387 GLU A OE2 1 -ATOM 2926 N N . TRP A 1 430 ? 1.933 16.758 34.529 0.00 69.73 ? 388 TRP A N 1 -ATOM 2927 C CA . TRP A 1 430 ? 1.744 17.525 35.749 0.00 71.13 ? 388 TRP A CA 1 -ATOM 2928 C C . TRP A 1 430 ? 0.771 16.888 36.728 0.00 69.82 ? 388 TRP A C 1 -ATOM 2929 O O . TRP A 1 430 ? -0.122 16.131 36.348 0.00 70.84 ? 388 TRP A O 1 -ATOM 2930 C CB . TRP A 1 430 ? 1.205 18.899 35.332 0.00 73.49 ? 388 TRP A CB 1 -ATOM 2931 C CG . TRP A 1 430 ? 1.696 20.085 36.093 0.00 75.34 ? 388 TRP A CG 1 -ATOM 2932 C CD1 . TRP A 1 430 ? 1.352 20.449 37.365 0.00 76.15 ? 388 TRP A CD1 1 -ATOM 2933 C CD2 . TRP A 1 430 ? 2.608 21.089 35.628 0.00 75.52 ? 388 TRP A CD2 1 -ATOM 2934 N NE1 . TRP A 1 430 ? 1.999 21.607 37.719 0.00 76.15 ? 388 TRP A NE1 1 -ATOM 2935 C CE2 . TRP A 1 430 ? 2.778 22.020 36.671 0.00 75.74 ? 388 TRP A CE2 1 -ATOM 2936 C CE3 . TRP A 1 430 ? 3.301 21.287 34.430 0.00 75.36 ? 388 TRP A CE3 1 -ATOM 2937 C CZ2 . TRP A 1 430 ? 3.610 23.132 36.552 0.00 75.30 ? 388 TRP A CZ2 1 -ATOM 2938 C CZ3 . TRP A 1 430 ? 4.125 22.390 34.314 0.00 74.94 ? 388 TRP A CZ3 1 -ATOM 2939 C CH2 . TRP A 1 430 ? 4.273 23.299 35.369 0.00 74.87 ? 388 TRP A CH2 1 -ATOM 2940 N N . LEU A 1 431 ? 0.918 17.250 37.999 0.00 66.49 ? 389 LEU A N 1 -ATOM 2941 C CA . LEU A 1 431 ? 0.041 16.748 39.051 0.00 62.72 ? 389 LEU A CA 1 -ATOM 2942 C C . LEU A 1 431 ? 0.291 17.496 40.355 0.00 62.83 ? 389 LEU A C 1 -ATOM 2943 O O . LEU A 1 431 ? 1.444 17.890 40.536 0.00 63.06 ? 389 LEU A O 1 -ATOM 2944 C CB . LEU A 1 431 ? 0.316 15.254 39.275 0.00 57.77 ? 389 LEU A CB 1 -ATOM 2945 C CG . LEU A 1 431 ? 1.515 14.906 40.163 0.00 53.38 ? 389 LEU A CG 1 -ATOM 2946 C CD1 . LEU A 1 431 ? 1.105 13.939 41.265 0.00 51.56 ? 389 LEU A CD1 1 -ATOM 2947 C CD2 . LEU A 1 431 ? 2.663 14.329 39.347 0.00 50.48 ? 389 LEU A CD2 1 -ATOM 2948 N N . ALA A 1 432 ? -0.722 17.676 41.196 0.00 62.14 ? 390 ALA A N 1 -ATOM 2949 C CA . ALA A 1 432 ? -0.496 18.308 42.503 0.00 59.53 ? 390 ALA A CA 1 -ATOM 2950 C C . ALA A 1 432 ? 0.814 17.745 43.055 0.00 57.26 ? 390 ALA A C 1 -ATOM 2951 O O . ALA A 1 432 ? 1.185 16.619 42.720 0.00 58.76 ? 390 ALA A O 1 -ATOM 2952 C CB . ALA A 1 432 ? -1.644 18.047 43.453 0.00 61.09 ? 390 ALA A CB 1 -ATOM 2953 N N . ALA A 1 433 ? 1.474 18.473 43.932 0.00 53.37 ? 391 ALA A N 1 -ATOM 2954 C CA . ALA A 1 433 ? 2.846 18.146 44.359 0.00 48.86 ? 391 ALA A CA 1 -ATOM 2955 C C . ALA A 1 433 ? 3.576 18.911 43.270 0.00 46.23 ? 391 ALA A C 1 -ATOM 2956 O O . ALA A 1 433 ? 2.929 18.999 42.197 0.00 48.62 ? 391 ALA A O 1 -ATOM 2957 C CB . ALA A 1 433 ? 3.172 16.678 44.396 0.00 48.73 ? 391 ALA A CB 1 -ATOM 2958 N N . SER A 1 434 ? 4.647 19.659 43.397 0.00 42.77 ? 392 SER A N 1 -ATOM 2959 C CA . SER A 1 434 ? 5.136 20.493 42.303 0.00 37.94 ? 392 SER A CA 1 -ATOM 2960 C C . SER A 1 434 ? 4.247 21.721 42.075 0.00 33.34 ? 392 SER A C 1 -ATOM 2961 O O . SER A 1 434 ? 4.687 22.611 41.331 0.00 32.69 ? 392 SER A O 1 -ATOM 2962 C CB . SER A 1 434 ? 5.337 19.832 40.957 0.00 37.66 ? 392 SER A CB 1 -ATOM 2963 O OG . SER A 1 434 ? 5.223 18.456 40.735 0.00 39.46 ? 392 SER A OG 1 -ATOM 2964 N N . GLY A 1 435 ? 3.040 21.841 42.590 0.00 35.52 ? 393 GLY A N 1 -ATOM 2965 C CA . GLY A 1 435 ? 2.181 22.986 42.447 0.00 34.29 ? 393 GLY A CA 1 -ATOM 2966 C C . GLY A 1 435 ? 1.373 23.097 41.165 0.00 33.90 ? 393 GLY A C 1 -ATOM 2967 O O . GLY A 1 435 ? 1.609 22.433 40.157 0.00 35.98 ? 393 GLY A O 1 -ATOM 2968 N N . ALA A 1 436 ? 0.341 23.811 41.164 1.00 27.53 ? 394 ALA A N 1 -ATOM 2969 C CA . ALA A 1 436 ? -0.483 24.273 40.051 1.00 26.96 ? 394 ALA A CA 1 -ATOM 2970 C C . ALA A 1 436 ? 0.370 24.766 38.890 1.00 25.84 ? 394 ALA A C 1 -ATOM 2971 O O . ALA A 1 436 ? 1.415 25.391 39.076 1.00 27.20 ? 394 ALA A O 1 -ATOM 2972 C CB . ALA A 1 436 ? -1.404 25.391 40.522 1.00 29.96 ? 394 ALA A CB 1 -ATOM 2973 N N . SER A 1 437 ? -0.091 24.531 37.660 1.00 24.15 ? 395 SER A N 1 -ATOM 2974 C CA . SER A 1 437 ? 0.644 24.999 36.489 1.00 19.52 ? 395 SER A CA 1 -ATOM 2975 C C . SER A 1 437 ? 0.240 26.428 36.143 1.00 15.93 ? 395 SER A C 1 -ATOM 2976 O O . SER A 1 437 ? 0.787 27.016 35.211 1.00 13.32 ? 395 SER A O 1 -ATOM 2977 C CB . SER A 1 437 ? 0.397 24.089 35.284 1.00 22.55 ? 395 SER A CB 1 -ATOM 2978 O OG . SER A 1 437 ? -0.999 23.929 35.061 1.00 23.76 ? 395 SER A OG 1 -ATOM 2979 N N . VAL A 1 438 ? -0.820 26.934 36.761 1.00 14.84 ? 396 VAL A N 1 -ATOM 2980 C CA . VAL A 1 438 ? -1.317 28.281 36.484 1.00 11.99 ? 396 VAL A CA 1 -ATOM 2981 C C . VAL A 1 438 ? -1.686 28.969 37.799 1.00 12.54 ? 396 VAL A C 1 -ATOM 2982 O O . VAL A 1 438 ? -2.269 28.302 38.655 1.00 13.85 ? 396 VAL A O 1 -ATOM 2983 C CB . VAL A 1 438 ? -2.562 28.270 35.582 1.00 14.83 ? 396 VAL A CB 1 -ATOM 2984 C CG1 . VAL A 1 438 ? -2.971 29.706 35.244 1.00 16.39 ? 396 VAL A CG1 1 -ATOM 2985 C CG2 . VAL A 1 438 ? -2.407 27.530 34.258 1.00 16.97 ? 396 VAL A CG2 1 -ATOM 2986 N N . ILE A 1 439 ? -1.346 30.235 38.007 1.00 10.86 ? 397 ILE A N 1 -ATOM 2987 C CA . ILE A 1 439 ? -1.763 30.969 39.196 1.00 9.71 ? 397 ILE A CA 1 -ATOM 2988 C C . ILE A 1 439 ? -2.456 32.259 38.744 1.00 12.07 ? 397 ILE A C 1 -ATOM 2989 O O . ILE A 1 439 ? -2.141 32.780 37.675 1.00 13.03 ? 397 ILE A O 1 -ATOM 2990 C CB . ILE A 1 439 ? -0.592 31.426 40.088 1.00 14.16 ? 397 ILE A CB 1 -ATOM 2991 C CG1 . ILE A 1 439 ? 0.431 32.211 39.259 1.00 14.72 ? 397 ILE A CG1 1 -ATOM 2992 C CG2 . ILE A 1 439 ? 0.082 30.258 40.800 1.00 14.54 ? 397 ILE A CG2 1 -ATOM 2993 C CD1 . ILE A 1 439 ? 1.267 33.186 40.072 1.00 16.26 ? 397 ILE A CD1 1 -ATOM 2994 N N . PRO A 1 440 ? -3.360 32.793 39.543 1.00 10.66 ? 398 PRO A N 1 -ATOM 2995 C CA . PRO A 1 440 ? -3.955 34.104 39.239 1.00 8.65 ? 398 PRO A CA 1 -ATOM 2996 C C . PRO A 1 440 ? -2.791 35.079 39.193 1.00 9.51 ? 398 PRO A C 1 -ATOM 2997 O O . PRO A 1 440 ? -1.914 35.063 40.083 1.00 9.52 ? 398 PRO A O 1 -ATOM 2998 C CB . PRO A 1 440 ? -4.911 34.342 40.394 1.00 10.56 ? 398 PRO A CB 1 -ATOM 2999 C CG . PRO A 1 440 ? -5.179 32.976 40.957 1.00 11.31 ? 398 PRO A CG 1 -ATOM 3000 C CD . PRO A 1 440 ? -3.829 32.272 40.845 1.00 9.32 ? 398 PRO A CD 1 -ATOM 3001 N N . VAL A 1 441 ? -2.705 35.935 38.180 1.00 9.06 ? 399 VAL A N 1 -ATOM 3002 C CA . VAL A 1 441 ? -1.558 36.779 37.950 1.00 8.59 ? 399 VAL A CA 1 -ATOM 3003 C C . VAL A 1 441 ? -1.075 37.587 39.140 1.00 6.96 ? 399 VAL A C 1 -ATOM 3004 O O . VAL A 1 441 ? 0.145 37.674 39.353 1.00 7.80 ? 399 VAL A O 1 -ATOM 3005 C CB . VAL A 1 441 ? -1.707 37.777 36.775 1.00 10.27 ? 399 VAL A CB 1 -ATOM 3006 C CG1 . VAL A 1 441 ? -1.705 37.042 35.445 1.00 12.65 ? 399 VAL A CG1 1 -ATOM 3007 C CG2 . VAL A 1 441 ? -2.948 38.643 36.912 1.00 8.47 ? 399 VAL A CG2 1 -ATOM 3008 N N . ALA A 1 442 ? -1.965 38.161 39.926 1.00 4.87 ? 400 ALA A N 1 -ATOM 3009 C CA . ALA A 1 442 ? -1.530 39.001 41.040 1.00 8.01 ? 400 ALA A CA 1 -ATOM 3010 C C . ALA A 1 442 ? -1.042 38.251 42.260 1.00 10.10 ? 400 ALA A C 1 -ATOM 3011 O O . ALA A 1 442 ? -0.622 38.899 43.232 1.00 9.11 ? 400 ALA A O 1 -ATOM 3012 C CB . ALA A 1 442 ? -2.674 39.966 41.381 1.00 8.68 ? 400 ALA A CB 1 -ATOM 3013 N N . ARG A 1 443 ? -1.036 36.921 42.254 1.00 8.07 ? 401 ARG A N 1 -ATOM 3014 C CA . ARG A 1 443 ? -0.536 36.133 43.380 1.00 7.99 ? 401 ARG A CA 1 -ATOM 3015 C C . ARG A 1 443 ? 0.923 35.735 43.171 1.00 8.88 ? 401 ARG A C 1 -ATOM 3016 O O . ARG A 1 443 ? 1.422 34.859 43.892 1.00 10.15 ? 401 ARG A O 1 -ATOM 3017 C CB . ARG A 1 443 ? -1.341 34.847 43.606 1.00 10.53 ? 401 ARG A CB 1 -ATOM 3018 C CG . ARG A 1 443 ? -2.840 35.030 43.740 1.00 11.01 ? 401 ARG A CG 1 -ATOM 3019 C CD . ARG A 1 443 ? -3.258 35.356 45.161 1.00 14.03 ? 401 ARG A CD 1 -ATOM 3020 N NE . ARG A 1 443 ? -2.580 36.481 45.769 1.00 16.05 ? 401 ARG A NE 1 -ATOM 3021 C CZ . ARG A 1 443 ? -2.834 37.765 45.544 1.00 16.78 ? 401 ARG A CZ 1 -ATOM 3022 N NH1 . ARG A 1 443 ? -3.781 38.116 44.686 1.00 15.52 ? 401 ARG A NH1 1 -ATOM 3023 N NH2 . ARG A 1 443 ? -2.159 38.721 46.167 1.00 14.43 ? 401 ARG A NH2 1 -ATOM 3024 N N . VAL A 1 444 ? 1.618 36.379 42.244 1.00 8.30 ? 402 VAL A N 1 -ATOM 3025 C CA . VAL A 1 444 ? 3.014 36.048 41.957 1.00 9.23 ? 402 VAL A CA 1 -ATOM 3026 C C . VAL A 1 444 ? 3.934 36.182 43.153 1.00 10.65 ? 402 VAL A C 1 -ATOM 3027 O O . VAL A 1 444 ? 4.739 35.265 43.367 1.00 10.89 ? 402 VAL A O 1 -ATOM 3028 C CB . VAL A 1 444 ? 3.511 36.838 40.724 1.00 10.59 ? 402 VAL A CB 1 -ATOM 3029 C CG1 . VAL A 1 444 ? 3.460 38.346 40.949 1.00 11.86 ? 402 VAL A CG1 1 -ATOM 3030 C CG2 . VAL A 1 444 ? 4.924 36.412 40.358 1.00 11.19 ? 402 VAL A CG2 1 -ATOM 3031 N N . VAL A 1 445 ? 3.815 37.207 43.992 1.00 7.58 ? 403 VAL A N 1 -ATOM 3032 C CA . VAL A 1 445 ? 4.653 37.343 45.185 1.00 7.76 ? 403 VAL A CA 1 -ATOM 3033 C C . VAL A 1 445 ? 4.208 36.389 46.293 1.00 9.97 ? 403 VAL A C 1 -ATOM 3034 O O . VAL A 1 445 ? 5.071 35.771 46.939 1.00 10.00 ? 403 VAL A O 1 -ATOM 3035 C CB . VAL A 1 445 ? 4.748 38.792 45.677 1.00 9.44 ? 403 VAL A CB 1 -ATOM 3036 C CG1 . VAL A 1 445 ? 5.339 38.868 47.085 1.00 8.48 ? 403 VAL A CG1 1 -ATOM 3037 C CG2 . VAL A 1 445 ? 5.597 39.653 44.735 1.00 7.99 ? 403 VAL A CG2 1 -ATOM 3038 N N . ASP A 1 446 ? 2.911 36.148 46.481 1.00 8.46 ? 404 ASP A N 1 -ATOM 3039 C CA . ASP A 1 446 ? 2.449 35.123 47.411 1.00 10.92 ? 404 ASP A CA 1 -ATOM 3040 C C . ASP A 1 446 ? 3.069 33.767 47.044 1.00 12.11 ? 404 ASP A C 1 -ATOM 3041 O O . ASP A 1 446 ? 3.495 33.028 47.929 1.00 12.33 ? 404 ASP A O 1 -ATOM 3042 C CB . ASP A 1 446 ? 0.928 34.958 47.404 1.00 12.96 ? 404 ASP A CB 1 -ATOM 3043 C CG . ASP A 1 446 ? 0.226 36.043 48.209 1.00 17.99 ? 404 ASP A CG 1 -ATOM 3044 O OD1 . ASP A 1 446 ? 0.841 36.539 49.180 1.00 19.93 ? 404 ASP A OD1 1 -ATOM 3045 O OD2 . ASP A 1 446 ? -0.925 36.398 47.885 1.00 17.75 ? 404 ASP A OD2 1 -ATOM 3046 N N . MET A 1 447 ? 3.095 33.438 45.755 1.00 10.30 ? 405 MET A N 1 -ATOM 3047 C CA . MET A 1 447 ? 3.698 32.212 45.264 1.00 11.40 ? 405 MET A CA 1 -ATOM 3048 C C . MET A 1 447 ? 5.170 32.104 45.667 1.00 12.88 ? 405 MET A C 1 -ATOM 3049 O O . MET A 1 447 ? 5.622 31.085 46.207 1.00 11.27 ? 405 MET A O 1 -ATOM 3050 C CB . MET A 1 447 ? 3.594 32.155 43.729 1.00 11.91 ? 405 MET A CB 1 -ATOM 3051 C CG . MET A 1 447 ? 4.337 30.959 43.125 1.00 10.50 ? 405 MET A CG 1 -ATOM 3052 S SD . MET A 1 447 ? 4.190 30.964 41.322 1.00 15.53 ? 405 MET A SD 1 -ATOM 3053 C CE . MET A 1 447 ? 5.232 32.344 40.887 1.00 13.41 ? 405 MET A CE 1 -ATOM 3054 N N . LEU A 1 448 ? 5.944 33.167 45.414 1.00 12.14 ? 406 LEU A N 1 -ATOM 3055 C CA . LEU A 1 448 ? 7.354 33.147 45.787 1.00 12.78 ? 406 LEU A CA 1 -ATOM 3056 C C . LEU A 1 448 ? 7.585 32.982 47.285 1.00 14.71 ? 406 LEU A C 1 -ATOM 3057 O O . LEU A 1 448 ? 8.527 32.282 47.682 1.00 16.60 ? 406 LEU A O 1 -ATOM 3058 C CB . LEU A 1 448 ? 8.066 34.418 45.302 1.00 13.31 ? 406 LEU A CB 1 -ATOM 3059 C CG . LEU A 1 448 ? 8.103 34.612 43.783 1.00 15.17 ? 406 LEU A CG 1 -ATOM 3060 C CD1 . LEU A 1 448 ? 8.719 35.960 43.420 1.00 18.37 ? 406 LEU A CD1 1 -ATOM 3061 C CD2 . LEU A 1 448 ? 8.859 33.480 43.110 1.00 14.94 ? 406 LEU A CD2 1 -ATOM 3062 N N . GLU A 1 449 ? 6.772 33.605 48.131 1.00 14.29 ? 407 GLU A N 1 -ATOM 3063 C CA . GLU A 1 449 ? 6.955 33.523 49.572 1.00 16.51 ? 407 GLU A CA 1 -ATOM 3064 C C . GLU A 1 449 ? 6.449 32.224 50.182 1.00 18.27 ? 407 GLU A C 1 -ATOM 3065 O O . GLU A 1 449 ? 6.857 31.846 51.288 1.00 18.66 ? 407 GLU A O 1 -ATOM 3066 C CB . GLU A 1 449 ? 6.198 34.643 50.290 1.00 17.21 ? 407 GLU A CB 1 -ATOM 3067 C CG . GLU A 1 449 ? 6.755 36.040 50.104 1.00 25.14 ? 407 GLU A CG 1 -ATOM 3068 C CD . GLU A 1 449 ? 6.047 37.090 50.939 1.00 30.48 ? 407 GLU A CD 1 -ATOM 3069 O OE1 . GLU A 1 449 ? 5.153 36.769 51.759 1.00 34.35 ? 407 GLU A OE1 1 -ATOM 3070 O OE2 . GLU A 1 449 ? 6.376 38.286 50.795 1.00 32.56 ? 407 GLU A OE2 1 -ATOM 3071 N N . ASN A 1 450 ? 5.504 31.559 49.528 1.00 17.38 ? 408 ASN A N 1 -ATOM 3072 C CA . ASN A 1 450 ? 4.868 30.360 50.044 1.00 17.48 ? 408 ASN A CA 1 -ATOM 3073 C C . ASN A 1 450 ? 4.782 29.173 49.108 1.00 15.16 ? 408 ASN A C 1 -ATOM 3074 O O . ASN A 1 450 ? 3.683 28.674 48.823 1.00 13.83 ? 408 ASN A O 1 -ATOM 3075 C CB . ASN A 1 450 ? 3.412 30.722 50.425 1.00 21.09 ? 408 ASN A CB 1 -ATOM 3076 C CG . ASN A 1 450 ? 3.297 31.778 51.499 1.00 25.21 ? 408 ASN A CG 1 -ATOM 3077 O OD1 . ASN A 1 450 ? 3.507 31.499 52.679 1.00 27.94 ? 408 ASN A OD1 1 -ATOM 3078 N ND2 . ASN A 1 450 ? 3.003 33.005 51.085 1.00 23.95 ? 408 ASN A ND2 1 -ATOM 3079 N N . PRO A 1 451 ? 5.904 28.656 48.624 1.00 15.63 ? 409 PRO A N 1 -ATOM 3080 C CA . PRO A 1 451 ? 5.899 27.497 47.747 1.00 16.38 ? 409 PRO A CA 1 -ATOM 3081 C C . PRO A 1 451 ? 5.195 26.334 48.423 1.00 17.49 ? 409 PRO A C 1 -ATOM 3082 O O . PRO A 1 451 ? 5.373 26.126 49.630 1.00 17.38 ? 409 PRO A O 1 -ATOM 3083 C CB . PRO A 1 451 ? 7.369 27.187 47.493 1.00 18.43 ? 409 PRO A CB 1 -ATOM 3084 C CG . PRO A 1 451 ? 8.142 27.968 48.481 1.00 18.58 ? 409 PRO A CG 1 -ATOM 3085 C CD . PRO A 1 451 ? 7.277 29.113 48.918 1.00 16.56 ? 409 PRO A CD 1 -ATOM 3086 N N . GLY A 1 452 ? 4.359 25.593 47.708 1.00 17.76 ? 410 GLY A N 1 -ATOM 3087 C CA . GLY A 1 452 ? 3.647 24.468 48.289 1.00 19.85 ? 410 GLY A CA 1 -ATOM 3088 C C . GLY A 1 452 ? 2.405 24.817 49.086 1.00 20.96 ? 410 GLY A C 1 -ATOM 3089 O O . GLY A 1 452 ? 1.651 23.883 49.412 1.00 24.05 ? 410 GLY A O 1 -ATOM 3090 N N . ALA A 1 453 ? 2.158 26.070 49.445 1.00 17.51 ? 411 ALA A N 1 -ATOM 3091 C CA . ALA A 1 453 ? 0.961 26.388 50.230 1.00 18.37 ? 411 ALA A CA 1 -ATOM 3092 C C . ALA A 1 453 ? -0.261 26.337 49.314 1.00 19.87 ? 411 ALA A C 1 -ATOM 3093 O O . ALA A 1 453 ? -0.134 26.500 48.100 1.00 16.64 ? 411 ALA A O 1 -ATOM 3094 C CB . ALA A 1 453 ? 1.090 27.723 50.929 1.00 17.74 ? 411 ALA A CB 1 -ATOM 3095 N N . GLU A 1 454 ? -1.431 26.103 49.892 1.00 19.03 ? 412 GLU A N 1 -ATOM 3096 C CA . GLU A 1 454 ? -2.663 26.058 49.117 1.00 19.45 ? 412 GLU A CA 1 -ATOM 3097 C C . GLU A 1 454 ? -3.274 27.447 48.974 1.00 18.10 ? 412 GLU A C 1 -ATOM 3098 O O . GLU A 1 454 ? -3.092 28.289 49.851 1.00 16.78 ? 412 GLU A O 1 -ATOM 3099 C CB . GLU A 1 454 ? -3.674 25.150 49.826 1.00 25.44 ? 412 GLU A CB 1 -ATOM 3100 C CG . GLU A 1 454 ? -3.277 23.682 49.809 1.00 31.99 ? 412 GLU A CG 1 -ATOM 3101 C CD . GLU A 1 454 ? -4.467 22.783 50.092 1.00 37.72 ? 412 GLU A CD 1 -ATOM 3102 O OE1 . GLU A 1 454 ? -4.934 22.781 51.250 1.00 41.93 ? 412 GLU A OE1 1 -ATOM 3103 O OE2 . GLU A 1 454 ? -4.937 22.091 49.168 1.00 41.97 ? 412 GLU A OE2 1 -ATOM 3104 N N . PHE A 1 455 ? -4.026 27.669 47.902 1.00 15.41 ? 413 PHE A N 1 -ATOM 3105 C CA . PHE A 1 455 ? -4.748 28.924 47.719 1.00 14.37 ? 413 PHE A CA 1 -ATOM 3106 C C . PHE A 1 455 ? -6.118 28.587 47.134 1.00 13.58 ? 413 PHE A C 1 -ATOM 3107 O O . PHE A 1 455 ? -6.264 27.521 46.528 1.00 14.56 ? 413 PHE A O 1 -ATOM 3108 C CB . PHE A 1 455 ? -3.998 29.935 46.860 1.00 13.70 ? 413 PHE A CB 1 -ATOM 3109 C CG . PHE A 1 455 ? -3.804 29.534 45.428 1.00 16.45 ? 413 PHE A CG 1 -ATOM 3110 C CD1 . PHE A 1 455 ? -4.743 29.855 44.465 1.00 16.07 ? 413 PHE A CD1 1 -ATOM 3111 C CD2 . PHE A 1 455 ? -2.666 28.833 45.046 1.00 17.09 ? 413 PHE A CD2 1 -ATOM 3112 C CE1 . PHE A 1 455 ? -4.563 29.485 43.142 1.00 17.68 ? 413 PHE A CE1 1 -ATOM 3113 C CE2 . PHE A 1 455 ? -2.481 28.469 43.726 1.00 19.11 ? 413 PHE A CE2 1 -ATOM 3114 C CZ . PHE A 1 455 ? -3.430 28.790 42.770 1.00 17.82 ? 413 PHE A CZ 1 -ATOM 3115 N N . ASP A 1 456 ? -7.118 29.424 47.391 1.00 11.82 ? 414 ASP A N 1 -ATOM 3116 C CA . ASP A 1 456 ? -8.445 29.186 46.836 1.00 13.13 ? 414 ASP A CA 1 -ATOM 3117 C C . ASP A 1 456 ? -8.594 29.958 45.529 1.00 12.77 ? 414 ASP A C 1 -ATOM 3118 O O . ASP A 1 456 ? -8.028 31.049 45.403 1.00 10.72 ? 414 ASP A O 1 -ATOM 3119 C CB . ASP A 1 456 ? -9.530 29.707 47.795 1.00 15.39 ? 414 ASP A CB 1 -ATOM 3120 C CG . ASP A 1 456 ? -9.515 28.962 49.117 1.00 19.24 ? 414 ASP A CG 1 -ATOM 3121 O OD1 . ASP A 1 456 ? -9.945 27.793 49.125 1.00 19.69 ? 414 ASP A OD1 1 -ATOM 3122 O OD2 . ASP A 1 456 ? -9.057 29.540 50.120 1.00 22.96 ? 414 ASP A OD2 1 -ATOM 3123 N N . PHE A 1 457 ? -9.401 29.454 44.603 1.00 13.24 ? 415 PHE A N 1 -ATOM 3124 C CA . PHE A 1 457 ? -9.681 30.229 43.394 1.00 11.32 ? 415 PHE A CA 1 -ATOM 3125 C C . PHE A 1 457 ? -10.943 29.698 42.736 1.00 13.51 ? 415 PHE A C 1 -ATOM 3126 O O . PHE A 1 457 ? -10.986 28.548 42.294 1.00 13.60 ? 415 PHE A O 1 -ATOM 3127 C CB . PHE A 1 457 ? -8.528 30.240 42.385 1.00 12.19 ? 415 PHE A CB 1 -ATOM 3128 C CG . PHE A 1 457 ? -8.907 30.961 41.113 1.00 14.88 ? 415 PHE A CG 1 -ATOM 3129 C CD1 . PHE A 1 457 ? -8.852 32.346 41.040 1.00 14.01 ? 415 PHE A CD1 1 -ATOM 3130 C CD2 . PHE A 1 457 ? -9.329 30.250 40.001 1.00 18.76 ? 415 PHE A CD2 1 -ATOM 3131 C CE1 . PHE A 1 457 ? -9.197 33.005 39.879 1.00 14.42 ? 415 PHE A CE1 1 -ATOM 3132 C CE2 . PHE A 1 457 ? -9.686 30.905 38.833 1.00 20.83 ? 415 PHE A CE2 1 -ATOM 3133 C CZ . PHE A 1 457 ? -9.617 32.282 38.774 1.00 18.76 ? 415 PHE A CZ 1 -ATOM 3134 N N . ASN A 1 458 ? -11.997 30.510 42.727 1.00 12.70 ? 416 ASN A N 1 -ATOM 3135 C CA . ASN A 1 458 ? -13.244 30.151 42.071 1.00 13.27 ? 416 ASN A CA 1 -ATOM 3136 C C . ASN A 1 458 ? -13.752 28.759 42.427 1.00 16.57 ? 416 ASN A C 1 -ATOM 3137 O O . ASN A 1 458 ? -14.210 28.039 41.533 1.00 16.11 ? 416 ASN A O 1 -ATOM 3138 C CB . ASN A 1 458 ? -13.076 30.274 40.546 1.00 13.61 ? 416 ASN A CB 1 -ATOM 3139 C CG . ASN A 1 458 ? -14.379 30.546 39.820 1.00 16.19 ? 416 ASN A CG 1 -ATOM 3140 O OD1 . ASN A 1 458 ? -15.338 31.047 40.407 1.00 15.73 ? 416 ASN A OD1 1 -ATOM 3141 N ND2 . ASN A 1 458 ? -14.448 30.246 38.529 1.00 16.89 ? 416 ASN A ND2 1 -ATOM 3142 N N . GLY A 1 459 ? -13.725 28.381 43.702 1.00 16.16 ? 417 GLY A N 1 -ATOM 3143 C CA . GLY A 1 459 ? -14.274 27.113 44.137 1.00 19.52 ? 417 GLY A CA 1 -ATOM 3144 C C . GLY A 1 459 ? -13.337 25.928 44.153 1.00 22.61 ? 417 GLY A C 1 -ATOM 3145 O O . GLY A 1 459 ? -13.746 24.819 44.524 1.00 24.07 ? 417 GLY A O 1 -ATOM 3146 N N . THR A 1 460 ? -12.091 26.100 43.756 1.00 20.19 ? 418 THR A N 1 -ATOM 3147 C CA . THR A 1 460 ? -11.093 25.046 43.724 1.00 22.43 ? 418 THR A CA 1 -ATOM 3148 C C . THR A 1 460 ? -9.925 25.431 44.626 1.00 20.24 ? 418 THR A C 1 -ATOM 3149 O O . THR A 1 460 ? -9.722 26.611 44.912 1.00 17.56 ? 418 THR A O 1 -ATOM 3150 C CB . THR A 1 460 ? -10.510 24.820 42.312 1.00 24.39 ? 418 THR A CB 1 -ATOM 3151 O OG1 . THR A 1 460 ? -9.796 26.003 41.911 1.00 28.76 ? 418 THR A OG1 1 -ATOM 3152 C CG2 . THR A 1 460 ? -11.585 24.544 41.284 1.00 28.11 ? 418 THR A CG2 1 -ATOM 3153 N N . ARG A 1 461 ? -9.164 24.447 45.074 1.00 17.50 ? 419 ARG A N 1 -ATOM 3154 C CA . ARG A 1 461 ? -7.990 24.687 45.898 1.00 21.96 ? 419 ARG A CA 1 -ATOM 3155 C C . ARG A 1 461 ? -6.792 24.202 45.073 1.00 23.37 ? 419 ARG A C 1 -ATOM 3156 O O . ARG A 1 461 ? -6.940 23.207 44.351 1.00 21.99 ? 419 ARG A O 1 -ATOM 3157 C CB . ARG A 1 461 ? -8.030 23.957 47.229 1.00 27.31 ? 419 ARG A CB 1 -ATOM 3158 C CG . ARG A 1 461 ? -8.465 24.776 48.428 1.00 34.94 ? 419 ARG A CG 1 -ATOM 3159 C CD . ARG A 1 461 ? -7.499 24.609 49.595 1.00 40.34 ? 419 ARG A CD 1 -ATOM 3160 N NE . ARG A 1 461 ? -7.612 25.704 50.550 1.00 45.31 ? 419 ARG A NE 1 -ATOM 3161 C CZ . ARG A 1 461 ? -6.921 25.827 51.674 1.00 48.58 ? 419 ARG A CZ 1 -ATOM 3162 N NH1 . ARG A 1 461 ? -6.027 24.920 52.043 1.00 49.77 ? 419 ARG A NH1 1 -ATOM 3163 N NH2 . ARG A 1 461 ? -7.116 26.874 52.469 1.00 51.14 ? 419 ARG A NH2 1 -ATOM 3164 N N . SER A 1 462 ? -5.696 24.940 45.103 1.00 21.02 ? 420 SER A N 1 -ATOM 3165 C CA . SER A 1 462 ? -4.526 24.519 44.332 1.00 23.11 ? 420 SER A CA 1 -ATOM 3166 C C . SER A 1 462 ? -3.280 24.815 45.163 1.00 22.07 ? 420 SER A C 1 -ATOM 3167 O O . SER A 1 462 ? -3.395 25.535 46.154 1.00 22.00 ? 420 SER A O 1 -ATOM 3168 C CB . SER A 1 462 ? -4.421 25.232 42.992 1.00 25.89 ? 420 SER A CB 1 -ATOM 3169 O OG . SER A 1 462 ? -5.443 24.875 42.088 1.00 30.15 ? 420 SER A OG 1 -ATOM 3170 N N . LYS A 1 463 ? -2.140 24.286 44.740 1.00 21.00 ? 421 LYS A N 1 -ATOM 3171 C CA . LYS A 1 463 ? -0.903 24.550 45.467 1.00 21.68 ? 421 LYS A CA 1 -ATOM 3172 C C . LYS A 1 463 ? 0.030 25.423 44.630 1.00 18.25 ? 421 LYS A C 1 -ATOM 3173 O O . LYS A 1 463 ? 0.130 25.283 43.413 1.00 19.01 ? 421 LYS A O 1 -ATOM 3174 C CB . LYS A 1 463 ? -0.171 23.252 45.816 1.00 26.13 ? 421 LYS A CB 1 -ATOM 3175 C CG . LYS A 1 463 ? -0.780 22.456 46.966 1.00 32.40 ? 421 LYS A CG 1 -ATOM 3176 C CD . LYS A 1 463 ? -0.002 21.157 47.162 1.00 37.44 ? 421 LYS A CD 1 -ATOM 3177 C CE . LYS A 1 463 ? -0.717 20.223 48.123 1.00 42.45 ? 421 LYS A CE 1 -ATOM 3178 N NZ . LYS A 1 463 ? -0.963 18.884 47.503 1.00 45.90 ? 421 LYS A NZ 1 -ATOM 3179 N N . PHE A 1 464 ? 0.749 26.309 45.306 1.00 16.83 ? 422 PHE A N 1 -ATOM 3180 C CA . PHE A 1 464 ? 1.708 27.174 44.616 1.00 14.55 ? 422 PHE A CA 1 -ATOM 3181 C C . PHE A 1 464 ? 2.916 26.326 44.220 1.00 14.41 ? 422 PHE A C 1 -ATOM 3182 O O . PHE A 1 464 ? 3.422 25.568 45.045 1.00 14.91 ? 422 PHE A O 1 -ATOM 3183 C CB . PHE A 1 464 ? 2.172 28.281 45.562 1.00 12.57 ? 422 PHE A CB 1 -ATOM 3184 C CG . PHE A 1 464 ? 1.236 29.438 45.763 1.00 14.78 ? 422 PHE A CG 1 -ATOM 3185 C CD1 . PHE A 1 464 ? 0.727 30.121 44.665 1.00 14.61 ? 422 PHE A CD1 1 -ATOM 3186 C CD2 . PHE A 1 464 ? 0.874 29.852 47.030 1.00 14.63 ? 422 PHE A CD2 1 -ATOM 3187 C CE1 . PHE A 1 464 ? -0.123 31.201 44.834 1.00 15.55 ? 422 PHE A CE1 1 -ATOM 3188 C CE2 . PHE A 1 464 ? 0.025 30.935 47.203 1.00 17.20 ? 422 PHE A CE2 1 -ATOM 3189 C CZ . PHE A 1 464 ? -0.475 31.608 46.101 1.00 14.24 ? 422 PHE A CZ 1 -ATOM 3190 N N . PRO A 1 465 ? 3.397 26.468 43.002 1.00 14.40 ? 423 PRO A N 1 -ATOM 3191 C CA . PRO A 1 465 ? 4.602 25.750 42.573 1.00 15.87 ? 423 PRO A CA 1 -ATOM 3192 C C . PRO A 1 465 ? 5.833 26.410 43.180 1.00 14.85 ? 423 PRO A C 1 -ATOM 3193 O O . PRO A 1 465 ? 5.763 27.557 43.636 1.00 15.80 ? 423 PRO A O 1 -ATOM 3194 C CB . PRO A 1 465 ? 4.556 25.889 41.061 1.00 13.88 ? 423 PRO A CB 1 -ATOM 3195 C CG . PRO A 1 465 ? 3.884 27.203 40.835 1.00 16.26 ? 423 PRO A CG 1 -ATOM 3196 C CD . PRO A 1 465 ? 2.860 27.352 41.944 1.00 14.11 ? 423 PRO A CD 1 -ATOM 3197 N N . ASP A 1 466 ? 6.964 25.726 43.199 1.00 12.65 ? 424 ASP A N 1 -ATOM 3198 C CA . ASP A 1 466 ? 8.215 26.238 43.759 1.00 14.91 ? 424 ASP A CA 1 -ATOM 3199 C C . ASP A 1 466 ? 9.096 26.770 42.636 1.00 13.98 ? 424 ASP A C 1 -ATOM 3200 O O . ASP A 1 466 ? 9.904 26.073 42.018 1.00 13.40 ? 424 ASP A O 1 -ATOM 3201 C CB . ASP A 1 466 ? 8.895 25.098 44.523 1.00 15.14 ? 424 ASP A CB 1 -ATOM 3202 C CG . ASP A 1 466 ? 10.084 25.498 45.363 1.00 20.05 ? 424 ASP A CG 1 -ATOM 3203 O OD1 . ASP A 1 466 ? 10.441 26.688 45.441 1.00 18.22 ? 424 ASP A OD1 1 -ATOM 3204 O OD2 . ASP A 1 466 ? 10.709 24.601 45.980 1.00 23.29 ? 424 ASP A OD2 1 -ATOM 3205 N N . VAL A 1 467 ? 8.887 28.039 42.288 1.00 12.79 ? 425 VAL A N 1 -ATOM 3206 C CA . VAL A 1 467 ? 9.581 28.683 41.175 1.00 11.85 ? 425 VAL A CA 1 -ATOM 3207 C C . VAL A 1 467 ? 10.977 29.144 41.523 1.00 9.75 ? 425 VAL A C 1 -ATOM 3208 O O . VAL A 1 467 ? 11.203 29.721 42.591 1.00 12.22 ? 425 VAL A O 1 -ATOM 3209 C CB . VAL A 1 467 ? 8.703 29.891 40.742 1.00 12.13 ? 425 VAL A CB 1 -ATOM 3210 C CG1 . VAL A 1 467 ? 9.408 30.828 39.787 1.00 13.73 ? 425 VAL A CG1 1 -ATOM 3211 C CG2 . VAL A 1 467 ? 7.432 29.331 40.110 1.00 13.85 ? 425 VAL A CG2 1 -ATOM 3212 N N . LYS A 1 468 ? 11.929 28.935 40.608 1.00 7.66 ? 426 LYS A N 1 -ATOM 3213 C CA . LYS A 1 468 ? 13.308 29.348 40.836 1.00 10.09 ? 426 LYS A CA 1 -ATOM 3214 C C . LYS A 1 468 ? 13.799 30.345 39.790 1.00 9.44 ? 426 LYS A C 1 -ATOM 3215 O O . LYS A 1 468 ? 14.841 30.961 40.009 1.00 10.18 ? 426 LYS A O 1 -ATOM 3216 C CB . LYS A 1 468 ? 14.244 28.130 40.837 1.00 12.98 ? 426 LYS A CB 1 -ATOM 3217 C CG . LYS A 1 468 ? 13.848 27.061 41.863 1.00 15.10 ? 426 LYS A CG 1 -ATOM 3218 C CD . LYS A 1 468 ? 14.160 27.572 43.258 1.00 21.01 ? 426 LYS A CD 1 -ATOM 3219 C CE . LYS A 1 468 ? 13.791 26.568 44.344 1.00 24.22 ? 426 LYS A CE 1 -ATOM 3220 N NZ . LYS A 1 468 ? 14.302 27.065 45.659 1.00 29.46 ? 426 LYS A NZ 1 -ATOM 3221 N N . MET A 1 469 ? 13.070 30.491 38.685 1.00 10.13 ? 427 MET A N 1 -ATOM 3222 C CA . MET A 1 469 ? 13.505 31.441 37.652 1.00 11.57 ? 427 MET A CA 1 -ATOM 3223 C C . MET A 1 469 ? 12.308 32.176 37.063 1.00 11.30 ? 427 MET A C 1 -ATOM 3224 O O . MET A 1 469 ? 11.245 31.570 36.953 1.00 9.61 ? 427 MET A O 1 -ATOM 3225 C CB . MET A 1 469 ? 14.212 30.672 36.529 1.00 14.47 ? 427 MET A CB 1 -ATOM 3226 C CG . MET A 1 469 ? 14.504 31.453 35.269 1.00 19.84 ? 427 MET A CG 1 -ATOM 3227 S SD . MET A 1 469 ? 15.272 30.454 33.957 1.00 26.87 ? 427 MET A SD 1 -ATOM 3228 C CE . MET A 1 469 ? 14.083 30.754 32.654 1.00 27.77 ? 427 MET A CE 1 -ATOM 3229 N N . ALA A 1 470 ? 12.452 33.447 36.701 1.00 11.04 ? 428 ALA A N 1 -ATOM 3230 C CA . ALA A 1 470 ? 11.335 34.131 36.036 1.00 10.33 ? 428 ALA A CA 1 -ATOM 3231 C C . ALA A 1 470 ? 11.930 34.776 34.787 1.00 9.30 ? 428 ALA A C 1 -ATOM 3232 O O . ALA A 1 470 ? 13.083 35.220 34.811 1.00 8.87 ? 428 ALA A O 1 -ATOM 3233 C CB . ALA A 1 470 ? 10.627 35.142 36.909 1.00 11.64 ? 428 ALA A CB 1 -ATOM 3234 N N . TYR A 1 471 ? 11.164 34.734 33.702 1.00 7.98 ? 429 TYR A N 1 -ATOM 3235 C CA . TYR A 1 471 ? 11.631 35.327 32.446 1.00 8.46 ? 429 TYR A CA 1 -ATOM 3236 C C . TYR A 1 471 ? 10.547 36.328 32.044 1.00 9.15 ? 429 TYR A C 1 -ATOM 3237 O O . TYR A 1 471 ? 9.395 35.892 31.900 1.00 9.18 ? 429 TYR A O 1 -ATOM 3238 C CB . TYR A 1 471 ? 11.777 34.224 31.413 1.00 9.33 ? 429 TYR A CB 1 -ATOM 3239 C CG . TYR A 1 471 ? 12.696 34.484 30.249 1.00 10.21 ? 429 TYR A CG 1 -ATOM 3240 C CD1 . TYR A 1 471 ? 12.658 35.691 29.558 1.00 11.21 ? 429 TYR A CD1 1 -ATOM 3241 C CD2 . TYR A 1 471 ? 13.599 33.514 29.835 1.00 10.46 ? 429 TYR A CD2 1 -ATOM 3242 C CE1 . TYR A 1 471 ? 13.503 35.937 28.488 1.00 9.69 ? 429 TYR A CE1 1 -ATOM 3243 C CE2 . TYR A 1 471 ? 14.446 33.741 28.754 1.00 10.73 ? 429 TYR A CE2 1 -ATOM 3244 C CZ . TYR A 1 471 ? 14.395 34.957 28.105 1.00 9.63 ? 429 TYR A CZ 1 -ATOM 3245 O OH . TYR A 1 471 ? 15.221 35.202 27.038 1.00 8.90 ? 429 TYR A OH 1 -ATOM 3246 N N . TRP A 1 472 ? 10.873 37.610 31.977 1.00 6.73 ? 430 TRP A N 1 -ATOM 3247 C CA . TRP A 1 472 ? 9.837 38.601 31.694 1.00 6.63 ? 430 TRP A CA 1 -ATOM 3248 C C . TRP A 1 472 ? 10.180 39.406 30.446 1.00 8.14 ? 430 TRP A C 1 -ATOM 3249 O O . TRP A 1 472 ? 11.291 39.912 30.288 1.00 7.41 ? 430 TRP A O 1 -ATOM 3250 C CB . TRP A 1 472 ? 9.699 39.587 32.861 1.00 7.80 ? 430 TRP A CB 1 -ATOM 3251 C CG . TRP A 1 472 ? 8.272 39.864 33.253 1.00 8.51 ? 430 TRP A CG 1 -ATOM 3252 C CD1 . TRP A 1 472 ? 7.353 40.614 32.561 1.00 7.11 ? 430 TRP A CD1 1 -ATOM 3253 C CD2 . TRP A 1 472 ? 7.608 39.382 34.421 1.00 7.78 ? 430 TRP A CD2 1 -ATOM 3254 N NE1 . TRP A 1 472 ? 6.155 40.607 33.234 1.00 6.07 ? 430 TRP A NE1 1 -ATOM 3255 C CE2 . TRP A 1 472 ? 6.286 39.869 34.386 1.00 8.10 ? 430 TRP A CE2 1 -ATOM 3256 C CE3 . TRP A 1 472 ? 8.012 38.588 35.508 1.00 7.73 ? 430 TRP A CE3 1 -ATOM 3257 C CZ2 . TRP A 1 472 ? 5.355 39.594 35.389 1.00 9.02 ? 430 TRP A CZ2 1 -ATOM 3258 C CZ3 . TRP A 1 472 ? 7.080 38.315 36.494 1.00 8.54 ? 430 TRP A CZ3 1 -ATOM 3259 C CH2 . TRP A 1 472 ? 5.759 38.803 36.430 1.00 8.94 ? 430 TRP A CH2 1 -ATOM 3260 N N . VAL A 1 473 ? 9.214 39.511 29.537 1.00 6.41 ? 431 VAL A N 1 -ATOM 3261 C CA . VAL A 1 473 ? 9.356 40.324 28.336 1.00 6.23 ? 431 VAL A CA 1 -ATOM 3262 C C . VAL A 1 473 ? 8.065 41.116 28.162 1.00 6.36 ? 431 VAL A C 1 -ATOM 3263 O O . VAL A 1 473 ? 6.993 40.629 28.544 1.00 8.19 ? 431 VAL A O 1 -ATOM 3264 C CB . VAL A 1 473 ? 9.637 39.514 27.061 1.00 8.05 ? 431 VAL A CB 1 -ATOM 3265 C CG1 . VAL A 1 473 ? 10.906 38.662 27.169 1.00 8.37 ? 431 VAL A CG1 1 -ATOM 3266 C CG2 . VAL A 1 473 ? 8.472 38.579 26.737 1.00 7.61 ? 431 VAL A CG2 1 -ATOM 3267 N N . GLY A 1 474 ? 8.151 42.336 27.633 1.00 8.91 ? 432 GLY A N 1 -ATOM 3268 C CA . GLY A 1 474 ? 6.975 43.147 27.382 1.00 8.39 ? 432 GLY A CA 1 -ATOM 3269 C C . GLY A 1 474 ? 6.116 43.443 28.598 1.00 8.93 ? 432 GLY A C 1 -ATOM 3270 O O . GLY A 1 474 ? 4.934 43.754 28.413 1.00 8.95 ? 432 GLY A O 1 -ATOM 3271 N N . GLY A 1 475 ? 6.730 43.575 29.771 1.00 6.88 ? 433 GLY A N 1 -ATOM 3272 C CA . GLY A 1 475 ? 5.958 43.888 30.976 1.00 7.98 ? 433 GLY A CA 1 -ATOM 3273 C C . GLY A 1 475 ? 6.861 44.601 31.972 1.00 6.86 ? 433 GLY A C 1 -ATOM 3274 O O . GLY A 1 475 ? 8.093 44.518 31.853 1.00 8.57 ? 433 GLY A O 1 -ATOM 3275 N N . ASN A 1 476 ? 6.256 45.221 32.986 1.00 5.06 ? 434 ASN A N 1 -ATOM 3276 C CA . ASN A 1 476 ? 7.105 45.951 33.957 1.00 5.76 ? 434 ASN A CA 1 -ATOM 3277 C C . ASN A 1 476 ? 6.587 45.711 35.361 1.00 6.72 ? 434 ASN A C 1 -ATOM 3278 O O . ASN A 1 476 ? 6.040 46.619 35.983 1.00 5.90 ? 434 ASN A O 1 -ATOM 3279 C CB . ASN A 1 476 ? 7.039 47.440 33.613 1.00 6.00 ? 434 ASN A CB 1 -ATOM 3280 C CG . ASN A 1 476 ? 8.095 48.317 34.255 1.00 9.50 ? 434 ASN A CG 1 -ATOM 3281 O OD1 . ASN A 1 476 ? 8.965 47.863 34.998 1.00 10.02 ? 434 ASN A OD1 1 -ATOM 3282 N ND2 . ASN A 1 476 ? 8.040 49.615 33.968 1.00 7.27 ? 434 ASN A ND2 1 -ATOM 3283 N N . PRO A 1 477 ? 6.750 44.502 35.889 1.00 8.23 ? 435 PRO A N 1 -ATOM 3284 C CA . PRO A 1 477 ? 6.258 44.149 37.218 1.00 6.91 ? 435 PRO A CA 1 -ATOM 3285 C C . PRO A 1 477 ? 6.838 44.971 38.345 1.00 8.34 ? 435 PRO A C 1 -ATOM 3286 O O . PRO A 1 477 ? 6.146 45.209 39.344 1.00 8.19 ? 435 PRO A O 1 -ATOM 3287 C CB . PRO A 1 477 ? 6.602 42.661 37.366 1.00 6.14 ? 435 PRO A CB 1 -ATOM 3288 C CG . PRO A 1 477 ? 7.737 42.445 36.413 1.00 6.98 ? 435 PRO A CG 1 -ATOM 3289 C CD . PRO A 1 477 ? 7.393 43.337 35.234 1.00 5.98 ? 435 PRO A CD 1 -ATOM 3290 N N . PHE A 1 478 ? 8.042 45.531 38.205 1.00 9.14 ? 436 PHE A N 1 -ATOM 3291 C CA . PHE A 1 478 ? 8.636 46.422 39.195 1.00 5.48 ? 436 PHE A CA 1 -ATOM 3292 C C . PHE A 1 478 ? 8.011 47.813 39.152 1.00 7.73 ? 436 PHE A C 1 -ATOM 3293 O O . PHE A 1 478 ? 8.514 48.768 39.765 1.00 9.08 ? 436 PHE A O 1 -ATOM 3294 C CB . PHE A 1 478 ? 10.170 46.485 39.081 1.00 3.85 ? 436 PHE A CB 1 -ATOM 3295 C CG . PHE A 1 478 ? 10.820 45.282 39.730 1.00 9.07 ? 436 PHE A CG 1 -ATOM 3296 C CD1 . PHE A 1 478 ? 10.964 44.095 39.044 1.00 10.86 ? 436 PHE A CD1 1 -ATOM 3297 C CD2 . PHE A 1 478 ? 11.262 45.363 41.039 1.00 10.68 ? 436 PHE A CD2 1 -ATOM 3298 C CE1 . PHE A 1 478 ? 11.536 42.986 39.659 1.00 10.83 ? 436 PHE A CE1 1 -ATOM 3299 C CE2 . PHE A 1 478 ? 11.836 44.266 41.655 1.00 14.49 ? 436 PHE A CE2 1 -ATOM 3300 C CZ . PHE A 1 478 ? 11.971 43.079 40.959 1.00 13.58 ? 436 PHE A CZ 1 -ATOM 3301 N N . VAL A 1 479 ? 6.926 47.998 38.413 1.00 6.51 ? 437 VAL A N 1 -ATOM 3302 C CA . VAL A 1 479 ? 6.089 49.169 38.400 1.00 6.02 ? 437 VAL A CA 1 -ATOM 3303 C C . VAL A 1 479 ? 4.630 48.723 38.572 1.00 7.59 ? 437 VAL A C 1 -ATOM 3304 O O . VAL A 1 479 ? 3.876 49.323 39.353 1.00 8.10 ? 437 VAL A O 1 -ATOM 3305 C CB . VAL A 1 479 ? 6.250 50.053 37.155 1.00 6.91 ? 437 VAL A CB 1 -ATOM 3306 C CG1 . VAL A 1 479 ? 5.216 51.184 37.153 1.00 6.32 ? 437 VAL A CG1 1 -ATOM 3307 C CG2 . VAL A 1 479 ? 7.637 50.680 37.026 1.00 6.69 ? 437 VAL A CG2 1 -ATOM 3308 N N . HIS A 1 480 ? 4.204 47.657 37.884 1.00 7.36 ? 438 HIS A N 1 -ATOM 3309 C CA . HIS A 1 480 ? 2.791 47.273 37.890 1.00 6.14 ? 438 HIS A CA 1 -ATOM 3310 C C . HIS A 1 480 ? 2.311 46.476 39.086 1.00 7.35 ? 438 HIS A C 1 -ATOM 3311 O O . HIS A 1 480 ? 1.106 46.544 39.363 1.00 6.40 ? 438 HIS A O 1 -ATOM 3312 C CB . HIS A 1 480 ? 2.411 46.557 36.585 1.00 6.77 ? 438 HIS A CB 1 -ATOM 3313 C CG . HIS A 1 480 ? 2.753 45.116 36.403 1.00 6.69 ? 438 HIS A CG 1 -ATOM 3314 N ND1 . HIS A 1 480 ? 3.351 44.647 35.240 1.00 5.85 ? 438 HIS A ND1 1 -ATOM 3315 C CD2 . HIS A 1 480 ? 2.568 44.030 37.194 1.00 7.96 ? 438 HIS A CD2 1 -ATOM 3316 C CE1 . HIS A 1 480 ? 3.515 43.331 35.339 1.00 7.90 ? 438 HIS A CE1 1 -ATOM 3317 N NE2 . HIS A 1 480 ? 3.048 42.925 36.516 1.00 8.26 ? 438 HIS A NE2 1 -ATOM 3318 N N . HIS A 1 481 ? 3.195 45.777 39.794 1.00 6.56 ? 439 HIS A N 1 -ATOM 3319 C CA . HIS A 1 481 ? 2.745 44.948 40.919 1.00 6.82 ? 439 HIS A CA 1 -ATOM 3320 C C . HIS A 1 481 ? 2.714 45.727 42.225 1.00 6.21 ? 439 HIS A C 1 -ATOM 3321 O O . HIS A 1 481 ? 3.409 46.726 42.426 1.00 7.84 ? 439 HIS A O 1 -ATOM 3322 C CB . HIS A 1 481 ? 3.618 43.680 40.997 1.00 6.09 ? 439 HIS A CB 1 -ATOM 3323 C CG . HIS A 1 481 ? 3.012 42.719 41.983 1.00 8.34 ? 439 HIS A CG 1 -ATOM 3324 N ND1 . HIS A 1 481 ? 1.800 42.107 41.754 1.00 7.53 ? 439 HIS A ND1 1 -ATOM 3325 C CD2 . HIS A 1 481 ? 3.436 42.332 43.208 1.00 8.38 ? 439 HIS A CD2 1 -ATOM 3326 C CE1 . HIS A 1 481 ? 1.495 41.355 42.808 1.00 8.79 ? 439 HIS A CE1 1 -ATOM 3327 N NE2 . HIS A 1 481 ? 2.471 41.482 43.697 1.00 9.62 ? 439 HIS A NE2 1 -ATOM 3328 N N . GLN A 1 482 ? 1.849 45.303 43.140 1.00 6.48 ? 440 GLN A N 1 -ATOM 3329 C CA . GLN A 1 482 ? 1.610 45.988 44.403 1.00 8.50 ? 440 GLN A CA 1 -ATOM 3330 C C . GLN A 1 482 ? 2.595 45.613 45.498 1.00 7.64 ? 440 GLN A C 1 -ATOM 3331 O O . GLN A 1 482 ? 3.168 44.527 45.517 1.00 10.77 ? 440 GLN A O 1 -ATOM 3332 C CB . GLN A 1 482 ? 0.170 45.702 44.903 1.00 6.77 ? 440 GLN A CB 1 -ATOM 3333 C CG . GLN A 1 482 ? -0.909 46.295 44.007 1.00 8.82 ? 440 GLN A CG 1 -ATOM 3334 C CD . GLN A 1 482 ? -0.960 45.755 42.594 1.00 9.81 ? 440 GLN A CD 1 -ATOM 3335 O OE1 . GLN A 1 482 ? -0.995 44.541 42.364 1.00 9.17 ? 440 GLN A OE1 1 -ATOM 3336 N NE2 . GLN A 1 482 ? -0.938 46.651 41.604 1.00 8.47 ? 440 GLN A NE2 1 -ATOM 3337 N N . ASP A 1 483 ? 2.752 46.552 46.426 1.00 6.27 ? 441 ASP A N 1 -ATOM 3338 C CA . ASP A 1 483 ? 3.593 46.461 47.603 1.00 8.31 ? 441 ASP A CA 1 -ATOM 3339 C C . ASP A 1 483 ? 5.036 46.204 47.187 1.00 9.39 ? 441 ASP A C 1 -ATOM 3340 O O . ASP A 1 483 ? 5.594 45.136 47.378 1.00 9.36 ? 441 ASP A O 1 -ATOM 3341 C CB . ASP A 1 483 ? 3.075 45.442 48.614 1.00 10.28 ? 441 ASP A CB 1 -ATOM 3342 C CG . ASP A 1 483 ? 3.734 45.558 49.982 1.00 11.81 ? 441 ASP A CG 1 -ATOM 3343 O OD1 . ASP A 1 483 ? 4.756 46.262 50.116 1.00 11.21 ? 441 ASP A OD1 1 -ATOM 3344 O OD2 . ASP A 1 483 ? 3.258 44.925 50.953 1.00 9.64 ? 441 ASP A OD2 1 -ATOM 3345 N N . ARG A 1 484 ? 5.638 47.236 46.579 1.00 7.33 ? 442 ARG A N 1 -ATOM 3346 C CA . ARG A 1 484 ? 6.998 47.151 46.082 1.00 8.97 ? 442 ARG A CA 1 -ATOM 3347 C C . ARG A 1 484 ? 8.002 46.631 47.110 1.00 10.51 ? 442 ARG A C 1 -ATOM 3348 O O . ARG A 1 484 ? 8.860 45.828 46.717 1.00 9.97 ? 442 ARG A O 1 -ATOM 3349 C CB . ARG A 1 484 ? 7.474 48.492 45.532 1.00 8.39 ? 442 ARG A CB 1 -ATOM 3350 C CG . ARG A 1 484 ? 8.824 48.500 44.821 1.00 8.82 ? 442 ARG A CG 1 -ATOM 3351 C CD . ARG A 1 484 ? 8.812 47.770 43.469 1.00 10.18 ? 442 ARG A CD 1 -ATOM 3352 N NE . ARG A 1 484 ? 7.764 48.437 42.677 1.00 11.25 ? 442 ARG A NE 1 -ATOM 3353 C CZ . ARG A 1 484 ? 6.582 47.903 42.394 1.00 10.77 ? 442 ARG A CZ 1 -ATOM 3354 N NH1 . ARG A 1 484 ? 6.254 46.670 42.733 1.00 10.47 ? 442 ARG A NH1 1 -ATOM 3355 N NH2 . ARG A 1 484 ? 5.722 48.670 41.725 1.00 6.82 ? 442 ARG A NH2 1 -ATOM 3356 N N . ASN A 1 485 ? 7.935 47.082 48.360 1.00 8.59 ? 443 ASN A N 1 -ATOM 3357 C CA . ASN A 1 485 ? 8.938 46.649 49.330 1.00 11.66 ? 443 ASN A CA 1 -ATOM 3358 C C . ASN A 1 485 ? 8.828 45.159 49.618 1.00 10.84 ? 443 ASN A C 1 -ATOM 3359 O O . ASN A 1 485 ? 9.855 44.487 49.743 1.00 12.03 ? 443 ASN A O 1 -ATOM 3360 C CB . ASN A 1 485 ? 8.899 47.481 50.610 1.00 8.90 ? 443 ASN A CB 1 -ATOM 3361 C CG . ASN A 1 485 ? 9.435 48.886 50.358 1.00 11.91 ? 443 ASN A CG 1 -ATOM 3362 O OD1 . ASN A 1 485 ? 10.542 49.065 49.849 1.00 11.24 ? 443 ASN A OD1 1 -ATOM 3363 N ND2 . ASN A 1 485 ? 8.648 49.882 50.734 1.00 12.37 ? 443 ASN A ND2 1 -ATOM 3364 N N . ARG A 1 486 ? 7.606 44.627 49.693 1.00 8.93 ? 444 ARG A N 1 -ATOM 3365 C CA . ARG A 1 486 ? 7.432 43.196 49.893 1.00 9.76 ? 444 ARG A CA 1 -ATOM 3366 C C . ARG A 1 486 ? 8.021 42.414 48.717 1.00 10.36 ? 444 ARG A C 1 -ATOM 3367 O O . ARG A 1 486 ? 8.711 41.405 48.844 1.00 9.12 ? 444 ARG A O 1 -ATOM 3368 C CB . ARG A 1 486 ? 5.937 42.863 50.025 1.00 9.63 ? 444 ARG A CB 1 -ATOM 3369 C CG . ARG A 1 486 ? 5.653 41.389 50.296 1.00 11.20 ? 444 ARG A CG 1 -ATOM 3370 C CD . ARG A 1 486 ? 4.157 41.078 50.360 1.00 13.53 ? 444 ARG A CD 1 -ATOM 3371 N NE . ARG A 1 486 ? 3.941 39.655 50.632 1.00 13.89 ? 444 ARG A NE 1 -ATOM 3372 C CZ . ARG A 1 486 ? 3.024 38.841 50.136 1.00 16.80 ? 444 ARG A CZ 1 -ATOM 3373 N NH1 . ARG A 1 486 ? 2.118 39.249 49.255 1.00 20.09 ? 444 ARG A NH1 1 -ATOM 3374 N NH2 . ARG A 1 486 ? 2.985 37.558 50.499 1.00 15.50 ? 444 ARG A NH2 1 -ATOM 3375 N N . MET A 1 487 ? 7.720 42.907 47.516 1.00 9.89 ? 445 MET A N 1 -ATOM 3376 C CA . MET A 1 487 ? 8.146 42.292 46.272 1.00 8.39 ? 445 MET A CA 1 -ATOM 3377 C C . MET A 1 487 ? 9.659 42.279 46.124 1.00 9.33 ? 445 MET A C 1 -ATOM 3378 O O . MET A 1 487 ? 10.235 41.290 45.663 1.00 10.17 ? 445 MET A O 1 -ATOM 3379 C CB . MET A 1 487 ? 7.534 43.079 45.095 1.00 9.09 ? 445 MET A CB 1 -ATOM 3380 C CG . MET A 1 487 ? 8.051 42.579 43.747 1.00 11.88 ? 445 MET A CG 1 -ATOM 3381 S SD . MET A 1 487 ? 7.302 43.507 42.386 1.00 12.81 ? 445 MET A SD 1 -ATOM 3382 C CE . MET A 1 487 ? 8.223 42.848 40.996 1.00 13.61 ? 445 MET A CE 1 -ATOM 3383 N N . VAL A 1 488 ? 10.301 43.387 46.492 1.00 8.65 ? 446 VAL A N 1 -ATOM 3384 C CA . VAL A 1 488 ? 11.765 43.466 46.395 1.00 14.21 ? 446 VAL A CA 1 -ATOM 3385 C C . VAL A 1 488 ? 12.434 42.360 47.197 1.00 15.38 ? 446 VAL A C 1 -ATOM 3386 O O . VAL A 1 488 ? 13.397 41.719 46.767 1.00 14.79 ? 446 VAL A O 1 -ATOM 3387 C CB . VAL A 1 488 ? 12.223 44.856 46.875 1.00 15.56 ? 446 VAL A CB 1 -ATOM 3388 C CG1 . VAL A 1 488 ? 13.688 44.857 47.268 1.00 18.38 ? 446 VAL A CG1 1 -ATOM 3389 C CG2 . VAL A 1 488 ? 11.958 45.860 45.752 1.00 15.76 ? 446 VAL A CG2 1 -ATOM 3390 N N . LYS A 1 489 ? 11.933 42.113 48.404 1.00 12.36 ? 447 LYS A N 1 -ATOM 3391 C CA . LYS A 1 489 ? 12.466 41.063 49.273 1.00 15.62 ? 447 LYS A CA 1 -ATOM 3392 C C . LYS A 1 489 ? 12.128 39.671 48.761 1.00 13.01 ? 447 LYS A C 1 -ATOM 3393 O O . LYS A 1 489 ? 12.956 38.755 48.742 1.00 13.80 ? 447 LYS A O 1 -ATOM 3394 C CB . LYS A 1 489 ? 11.884 41.266 50.675 1.00 21.05 ? 447 LYS A CB 1 -ATOM 3395 C CG . LYS A 1 489 ? 12.140 40.125 51.642 1.00 28.35 ? 447 LYS A CG 1 -ATOM 3396 C CD . LYS A 1 489 ? 13.529 40.219 52.259 1.00 35.97 ? 447 LYS A CD 1 -ATOM 3397 C CE . LYS A 1 489 ? 13.785 39.043 53.195 1.00 41.17 ? 447 LYS A CE 1 -ATOM 3398 N NZ . LYS A 1 489 ? 13.418 39.357 54.606 1.00 44.48 ? 447 LYS A NZ 1 -ATOM 3399 N N . ALA A 1 490 ? 10.903 39.489 48.264 1.00 9.02 ? 448 ALA A N 1 -ATOM 3400 C CA . ALA A 1 490 ? 10.471 38.198 47.743 1.00 11.70 ? 448 ALA A CA 1 -ATOM 3401 C C . ALA A 1 490 ? 11.263 37.764 46.522 1.00 13.01 ? 448 ALA A C 1 -ATOM 3402 O O . ALA A 1 490 ? 11.552 36.569 46.349 1.00 13.30 ? 448 ALA A O 1 -ATOM 3403 C CB . ALA A 1 490 ? 8.987 38.215 47.403 1.00 12.36 ? 448 ALA A CB 1 -ATOM 3404 N N . TRP A 1 491 ? 11.685 38.715 45.679 1.00 10.70 ? 449 TRP A N 1 -ATOM 3405 C CA . TRP A 1 491 ? 12.444 38.389 44.481 1.00 11.61 ? 449 TRP A CA 1 -ATOM 3406 C C . TRP A 1 491 ? 13.787 37.738 44.782 1.00 12.02 ? 449 TRP A C 1 -ATOM 3407 O O . TRP A 1 491 ? 14.364 37.112 43.883 1.00 13.02 ? 449 TRP A O 1 -ATOM 3408 C CB . TRP A 1 491 ? 12.699 39.627 43.619 1.00 12.72 ? 449 TRP A CB 1 -ATOM 3409 C CG . TRP A 1 491 ? 12.252 39.513 42.189 1.00 12.63 ? 449 TRP A CG 1 -ATOM 3410 C CD1 . TRP A 1 491 ? 13.048 39.547 41.078 1.00 11.93 ? 449 TRP A CD1 1 -ATOM 3411 C CD2 . TRP A 1 491 ? 10.910 39.380 41.720 1.00 10.37 ? 449 TRP A CD2 1 -ATOM 3412 N NE1 . TRP A 1 491 ? 12.274 39.435 39.945 1.00 13.10 ? 449 TRP A NE1 1 -ATOM 3413 C CE2 . TRP A 1 491 ? 10.957 39.331 40.311 1.00 12.23 ? 449 TRP A CE2 1 -ATOM 3414 C CE3 . TRP A 1 491 ? 9.666 39.303 42.359 1.00 11.43 ? 449 TRP A CE3 1 -ATOM 3415 C CZ2 . TRP A 1 491 ? 9.808 39.212 39.525 1.00 9.94 ? 449 TRP A CZ2 1 -ATOM 3416 C CZ3 . TRP A 1 491 ? 8.529 39.165 41.581 1.00 12.51 ? 449 TRP A CZ3 1 -ATOM 3417 C CH2 . TRP A 1 491 ? 8.613 39.128 40.180 1.00 13.84 ? 449 TRP A CH2 1 -ATOM 3418 N N . GLU A 1 492 ? 14.293 37.782 46.017 1.00 11.83 ? 450 GLU A N 1 -ATOM 3419 C CA . GLU A 1 492 ? 15.552 37.154 46.379 1.00 11.73 ? 450 GLU A CA 1 -ATOM 3420 C C . GLU A 1 492 ? 15.447 35.635 46.335 1.00 14.00 ? 450 GLU A C 1 -ATOM 3421 O O . GLU A 1 492 ? 16.433 34.901 46.321 1.00 14.87 ? 450 GLU A O 1 -ATOM 3422 C CB . GLU A 1 492 ? 16.032 37.636 47.750 1.00 12.40 ? 450 GLU A CB 1 -ATOM 3423 C CG . GLU A 1 492 ? 16.190 39.135 47.912 1.00 17.83 ? 450 GLU A CG 1 -ATOM 3424 C CD . GLU A 1 492 ? 16.806 39.490 49.259 1.00 25.59 ? 450 GLU A CD 1 -ATOM 3425 O OE1 . GLU A 1 492 ? 16.984 38.576 50.095 1.00 27.66 ? 450 GLU A OE1 1 -ATOM 3426 O OE2 . GLU A 1 492 ? 17.114 40.673 49.499 1.00 26.41 ? 450 GLU A OE2 1 -ATOM 3427 N N . LYS A 1 493 ? 14.234 35.102 46.289 1.00 14.97 ? 451 LYS A N 1 -ATOM 3428 C CA . LYS A 1 493 ? 13.953 33.681 46.180 1.00 15.26 ? 451 LYS A CA 1 -ATOM 3429 C C . LYS A 1 493 ? 14.268 33.140 44.792 1.00 14.88 ? 451 LYS A C 1 -ATOM 3430 O O . LYS A 1 493 ? 14.434 31.926 44.641 1.00 15.14 ? 451 LYS A O 1 -ATOM 3431 C CB . LYS A 1 493 ? 12.473 33.453 46.501 1.00 19.26 ? 451 LYS A CB 1 -ATOM 3432 C CG . LYS A 1 493 ? 12.169 32.023 46.914 1.00 27.90 ? 451 LYS A CG 1 -ATOM 3433 C CD . LYS A 1 493 ? 11.318 31.350 45.840 1.00 29.31 ? 451 LYS A CD 1 -ATOM 3434 C CE . LYS A 1 493 ? 10.825 29.999 46.344 1.00 30.77 ? 451 LYS A CE 1 -ATOM 3435 N NZ . LYS A 1 493 ? 10.356 29.174 45.200 1.00 29.52 ? 451 LYS A NZ 1 -ATOM 3436 N N . LEU A 1 494 ? 14.317 34.009 43.772 1.00 10.76 ? 452 LEU A N 1 -ATOM 3437 C CA . LEU A 1 494 ? 14.642 33.558 42.430 1.00 10.57 ? 452 LEU A CA 1 -ATOM 3438 C C . LEU A 1 494 ? 16.154 33.480 42.220 1.00 8.85 ? 452 LEU A C 1 -ATOM 3439 O O . LEU A 1 494 ? 16.881 34.430 42.510 1.00 10.42 ? 452 LEU A O 1 -ATOM 3440 C CB . LEU A 1 494 ? 14.097 34.514 41.356 1.00 9.40 ? 452 LEU A CB 1 -ATOM 3441 C CG . LEU A 1 494 ? 12.581 34.714 41.351 1.00 10.45 ? 452 LEU A CG 1 -ATOM 3442 C CD1 . LEU A 1 494 ? 12.251 35.913 40.466 1.00 13.75 ? 452 LEU A CD1 1 -ATOM 3443 C CD2 . LEU A 1 494 ? 11.888 33.445 40.877 1.00 9.24 ? 452 LEU A CD2 1 -ATOM 3444 N N . GLU A 1 495 ? 16.590 32.375 41.628 1.00 8.69 ? 453 GLU A N 1 -ATOM 3445 C CA . GLU A 1 495 ? 17.998 32.196 41.306 1.00 8.40 ? 453 GLU A CA 1 -ATOM 3446 C C . GLU A 1 495 ? 18.383 33.097 40.142 1.00 10.98 ? 453 GLU A C 1 -ATOM 3447 O O . GLU A 1 495 ? 19.467 33.673 40.115 1.00 11.39 ? 453 GLU A O 1 -ATOM 3448 C CB . GLU A 1 495 ? 18.261 30.743 40.865 1.00 10.34 ? 453 GLU A CB 1 -ATOM 3449 C CG . GLU A 1 495 ? 18.089 29.765 42.025 1.00 12.67 ? 453 GLU A CG 1 -ATOM 3450 C CD . GLU A 1 495 ? 18.351 28.322 41.655 1.00 15.64 ? 453 GLU A CD 1 -ATOM 3451 O OE1 . GLU A 1 495 ? 18.558 27.976 40.478 1.00 16.31 ? 453 GLU A OE1 1 -ATOM 3452 O OE2 . GLU A 1 495 ? 18.343 27.478 42.578 1.00 17.73 ? 453 GLU A OE2 1 -ATOM 3453 N N . THR A 1 496 ? 17.506 33.146 39.135 1.00 12.56 ? 454 THR A N 1 -ATOM 3454 C CA . THR A 1 496 ? 17.788 33.839 37.886 1.00 10.90 ? 454 THR A CA 1 -ATOM 3455 C C . THR A 1 496 ? 16.574 34.604 37.379 1.00 11.91 ? 454 THR A C 1 -ATOM 3456 O O . THR A 1 496 ? 15.463 34.079 37.382 1.00 11.86 ? 454 THR A O 1 -ATOM 3457 C CB . THR A 1 496 ? 18.170 32.793 36.811 1.00 11.85 ? 454 THR A CB 1 -ATOM 3458 O OG1 . THR A 1 496 ? 19.245 31.990 37.336 1.00 14.30 ? 454 THR A OG1 1 -ATOM 3459 C CG2 . THR A 1 496 ? 18.624 33.441 35.510 1.00 12.24 ? 454 THR A CG2 1 -ATOM 3460 N N . PHE A 1 497 ? 16.815 35.838 36.953 1.00 9.78 ? 455 PHE A N 1 -ATOM 3461 C CA . PHE A 1 497 ? 15.732 36.684 36.439 1.00 9.45 ? 455 PHE A CA 1 -ATOM 3462 C C . PHE A 1 497 ? 16.224 37.305 35.131 1.00 10.21 ? 455 PHE A C 1 -ATOM 3463 O O . PHE A 1 497 ? 17.196 38.052 35.123 1.00 10.86 ? 455 PHE A O 1 -ATOM 3464 C CB . PHE A 1 497 ? 15.364 37.755 37.460 1.00 9.55 ? 455 PHE A CB 1 -ATOM 3465 C CG . PHE A 1 497 ? 14.267 38.721 37.083 1.00 8.80 ? 455 PHE A CG 1 -ATOM 3466 C CD1 . PHE A 1 497 ? 13.097 38.308 36.481 1.00 10.61 ? 455 PHE A CD1 1 -ATOM 3467 C CD2 . PHE A 1 497 ? 14.435 40.071 37.353 1.00 8.41 ? 455 PHE A CD2 1 -ATOM 3468 C CE1 . PHE A 1 497 ? 12.100 39.219 36.166 1.00 14.01 ? 455 PHE A CE1 1 -ATOM 3469 C CE2 . PHE A 1 497 ? 13.445 40.992 37.049 1.00 8.85 ? 455 PHE A CE2 1 -ATOM 3470 C CZ . PHE A 1 497 ? 12.284 40.564 36.445 1.00 10.64 ? 455 PHE A CZ 1 -ATOM 3471 N N . VAL A 1 498 ? 15.558 36.967 34.031 1.00 9.04 ? 456 VAL A N 1 -ATOM 3472 C CA . VAL A 1 498 ? 15.972 37.449 32.712 1.00 7.07 ? 456 VAL A CA 1 -ATOM 3473 C C . VAL A 1 498 ? 14.894 38.382 32.162 1.00 8.25 ? 456 VAL A C 1 -ATOM 3474 O O . VAL A 1 498 ? 13.716 38.057 32.326 1.00 8.41 ? 456 VAL A O 1 -ATOM 3475 C CB . VAL A 1 498 ? 16.092 36.273 31.732 1.00 9.06 ? 456 VAL A CB 1 -ATOM 3476 C CG1 . VAL A 1 498 ? 16.573 36.756 30.370 1.00 9.24 ? 456 VAL A CG1 1 -ATOM 3477 C CG2 . VAL A 1 498 ? 17.020 35.195 32.291 1.00 11.58 ? 456 VAL A CG2 1 -ATOM 3478 N N . VAL A 1 499 ? 15.296 39.498 31.567 1.00 6.96 ? 457 VAL A N 1 -ATOM 3479 C CA . VAL A 1 499 ? 14.327 40.465 31.070 1.00 6.03 ? 457 VAL A CA 1 -ATOM 3480 C C . VAL A 1 499 ? 14.697 40.934 29.663 1.00 8.75 ? 457 VAL A C 1 -ATOM 3481 O O . VAL A 1 499 ? 15.873 41.134 29.360 1.00 8.88 ? 457 VAL A O 1 -ATOM 3482 C CB . VAL A 1 499 ? 14.341 41.725 31.966 1.00 9.37 ? 457 VAL A CB 1 -ATOM 3483 C CG1 . VAL A 1 499 ? 13.492 42.850 31.366 1.00 7.86 ? 457 VAL A CG1 1 -ATOM 3484 C CG2 . VAL A 1 499 ? 13.829 41.458 33.380 1.00 11.16 ? 457 VAL A CG2 1 -ATOM 3485 N N . HIS A 1 500 ? 13.707 41.119 28.792 1.00 7.23 ? 458 HIS A N 1 -ATOM 3486 C CA . HIS A 1 500 ? 13.938 41.781 27.528 1.00 7.50 ? 458 HIS A CA 1 -ATOM 3487 C C . HIS A 1 500 ? 13.086 43.073 27.550 1.00 7.08 ? 458 HIS A C 1 -ATOM 3488 O O . HIS A 1 500 ? 11.901 42.996 27.873 1.00 8.24 ? 458 HIS A O 1 -ATOM 3489 C CB . HIS A 1 500 ? 13.525 41.075 26.256 1.00 7.68 ? 458 HIS A CB 1 -ATOM 3490 C CG . HIS A 1 500 ? 13.978 39.684 25.993 1.00 5.70 ? 458 HIS A CG 1 -ATOM 3491 N ND1 . HIS A 1 500 ? 13.518 39.046 24.857 1.00 7.33 ? 458 HIS A ND1 1 -ATOM 3492 C CD2 . HIS A 1 500 ? 14.783 38.804 26.633 1.00 7.59 ? 458 HIS A CD2 1 -ATOM 3493 C CE1 . HIS A 1 500 ? 14.022 37.815 24.819 1.00 7.73 ? 458 HIS A CE1 1 -ATOM 3494 N NE2 . HIS A 1 500 ? 14.788 37.643 25.879 1.00 7.65 ? 458 HIS A NE2 1 -ATOM 3495 N N . ASP A 1 501 ? 13.666 44.186 27.137 1.00 7.23 ? 459 ASP A N 1 -ATOM 3496 C CA . ASP A 1 501 ? 12.892 45.420 26.959 1.00 6.44 ? 459 ASP A CA 1 -ATOM 3497 C C . ASP A 1 501 ? 13.708 46.346 26.050 1.00 8.98 ? 459 ASP A C 1 -ATOM 3498 O O . ASP A 1 501 ? 14.878 46.033 25.781 1.00 7.72 ? 459 ASP A O 1 -ATOM 3499 C CB . ASP A 1 501 ? 12.553 46.117 28.273 1.00 6.71 ? 459 ASP A CB 1 -ATOM 3500 C CG . ASP A 1 501 ? 11.320 46.996 28.247 1.00 7.29 ? 459 ASP A CG 1 -ATOM 3501 O OD1 . ASP A 1 501 ? 11.152 47.799 27.308 1.00 9.22 ? 459 ASP A OD1 1 -ATOM 3502 O OD2 . ASP A 1 501 ? 10.446 46.909 29.145 1.00 9.72 ? 459 ASP A OD2 1 -ATOM 3503 N N . PHE A 1 502 ? 13.127 47.451 25.578 1.00 7.69 ? 460 PHE A N 1 -ATOM 3504 C CA . PHE A 1 502 ? 13.939 48.419 24.827 1.00 8.06 ? 460 PHE A CA 1 -ATOM 3505 C C . PHE A 1 502 ? 14.157 49.670 25.675 1.00 8.13 ? 460 PHE A C 1 -ATOM 3506 O O . PHE A 1 502 ? 14.868 50.583 25.259 1.00 7.97 ? 460 PHE A O 1 -ATOM 3507 C CB . PHE A 1 502 ? 13.383 48.779 23.453 1.00 7.41 ? 460 PHE A CB 1 -ATOM 3508 C CG . PHE A 1 502 ? 11.947 49.211 23.399 1.00 10.04 ? 460 PHE A CG 1 -ATOM 3509 C CD1 . PHE A 1 502 ? 11.572 50.524 23.624 1.00 10.84 ? 460 PHE A CD1 1 -ATOM 3510 C CD2 . PHE A 1 502 ? 10.961 48.272 23.102 1.00 9.76 ? 460 PHE A CD2 1 -ATOM 3511 C CE1 . PHE A 1 502 ? 10.234 50.887 23.564 1.00 13.05 ? 460 PHE A CE1 1 -ATOM 3512 C CE2 . PHE A 1 502 ? 9.632 48.631 23.036 1.00 10.16 ? 460 PHE A CE2 1 -ATOM 3513 C CZ . PHE A 1 502 ? 9.265 49.945 23.267 1.00 8.87 ? 460 PHE A CZ 1 -ATOM 3514 N N . GLN A 1 503 ? 13.586 49.776 26.876 1.00 7.07 ? 461 GLN A N 1 -ATOM 3515 C CA . GLN A 1 503 ? 13.818 50.919 27.760 1.00 6.33 ? 461 GLN A CA 1 -ATOM 3516 C C . GLN A 1 503 ? 14.352 50.439 29.108 1.00 9.93 ? 461 GLN A C 1 -ATOM 3517 O O . GLN A 1 503 ? 13.975 49.344 29.551 1.00 8.65 ? 461 GLN A O 1 -ATOM 3518 C CB . GLN A 1 503 ? 12.533 51.728 28.001 1.00 6.54 ? 461 GLN A CB 1 -ATOM 3519 C CG . GLN A 1 503 ? 12.186 52.630 26.803 1.00 7.31 ? 461 GLN A CG 1 -ATOM 3520 C CD . GLN A 1 503 ? 12.971 53.924 26.825 1.00 10.55 ? 461 GLN A CD 1 -ATOM 3521 O OE1 . GLN A 1 503 ? 13.215 54.517 27.883 1.00 9.76 ? 461 GLN A OE1 1 -ATOM 3522 N NE2 . GLN A 1 503 ? 13.378 54.413 25.652 1.00 9.43 ? 461 GLN A NE2 1 -ATOM 3523 N N . TRP A 1 504 ? 15.194 51.212 29.783 1.00 10.45 ? 462 TRP A N 1 -ATOM 3524 C CA . TRP A 1 504 ? 15.744 50.854 31.086 1.00 8.63 ? 462 TRP A CA 1 -ATOM 3525 C C . TRP A 1 504 ? 14.718 51.080 32.197 1.00 9.13 ? 462 TRP A C 1 -ATOM 3526 O O . TRP A 1 504 ? 14.840 52.017 32.997 1.00 9.18 ? 462 TRP A O 1 -ATOM 3527 C CB . TRP A 1 504 ? 17.006 51.687 31.412 1.00 7.71 ? 462 TRP A CB 1 -ATOM 3528 C CG . TRP A 1 504 ? 18.257 51.052 30.876 1.00 8.41 ? 462 TRP A CG 1 -ATOM 3529 C CD1 . TRP A 1 504 ? 19.026 51.489 29.835 1.00 9.75 ? 462 TRP A CD1 1 -ATOM 3530 C CD2 . TRP A 1 504 ? 18.867 49.844 31.345 1.00 8.71 ? 462 TRP A CD2 1 -ATOM 3531 N NE1 . TRP A 1 504 ? 20.085 50.638 29.629 1.00 8.20 ? 462 TRP A NE1 1 -ATOM 3532 C CE2 . TRP A 1 504 ? 20.003 49.611 30.545 1.00 9.43 ? 462 TRP A CE2 1 -ATOM 3533 C CE3 . TRP A 1 504 ? 18.557 48.946 32.368 1.00 9.87 ? 462 TRP A CE3 1 -ATOM 3534 C CZ2 . TRP A 1 504 ? 20.835 48.508 30.734 1.00 11.11 ? 462 TRP A CZ2 1 -ATOM 3535 C CZ3 . TRP A 1 504 ? 19.386 47.853 32.566 1.00 10.13 ? 462 TRP A CZ3 1 -ATOM 3536 C CH2 . TRP A 1 504 ? 20.510 47.647 31.751 1.00 11.41 ? 462 TRP A CH2 1 -ATOM 3537 N N . THR A 1 505 ? 13.705 50.223 32.261 1.00 6.57 ? 463 THR A N 1 -ATOM 3538 C CA . THR A 1 505 ? 12.656 50.348 33.267 1.00 7.27 ? 463 THR A CA 1 -ATOM 3539 C C . THR A 1 505 ? 13.198 49.831 34.587 1.00 6.76 ? 463 THR A C 1 -ATOM 3540 O O . THR A 1 505 ? 14.206 49.118 34.619 1.00 7.75 ? 463 THR A O 1 -ATOM 3541 C CB . THR A 1 505 ? 11.454 49.438 32.888 1.00 6.00 ? 463 THR A CB 1 -ATOM 3542 O OG1 . THR A 1 505 ? 11.911 48.082 32.845 1.00 8.53 ? 463 THR A OG1 1 -ATOM 3543 C CG2 . THR A 1 505 ? 10.885 49.777 31.510 1.00 8.26 ? 463 THR A CG2 1 -ATOM 3544 N N . PRO A 1 506 ? 12.487 50.045 35.682 1.00 7.19 ? 464 PRO A N 1 -ATOM 3545 C CA . PRO A 1 506 ? 12.852 49.419 36.946 1.00 6.03 ? 464 PRO A CA 1 -ATOM 3546 C C . PRO A 1 506 ? 12.950 47.904 36.829 1.00 7.64 ? 464 PRO A C 1 -ATOM 3547 O O . PRO A 1 506 ? 13.762 47.282 37.530 1.00 9.27 ? 464 PRO A O 1 -ATOM 3548 C CB . PRO A 1 506 ? 11.698 49.800 37.876 1.00 8.85 ? 464 PRO A CB 1 -ATOM 3549 C CG . PRO A 1 506 ? 11.234 51.117 37.319 1.00 8.94 ? 464 PRO A CG 1 -ATOM 3550 C CD . PRO A 1 506 ? 11.279 50.893 35.808 1.00 9.38 ? 464 PRO A CD 1 -ATOM 3551 N N . THR A 1 507 ? 12.137 47.245 36.002 1.00 8.08 ? 465 THR A N 1 -ATOM 3552 C CA . THR A 1 507 ? 12.234 45.793 35.852 1.00 7.79 ? 465 THR A CA 1 -ATOM 3553 C C . THR A 1 507 ? 13.562 45.404 35.204 1.00 7.18 ? 465 THR A C 1 -ATOM 3554 O O . THR A 1 507 ? 14.222 44.485 35.699 1.00 6.71 ? 465 THR A O 1 -ATOM 3555 C CB . THR A 1 507 ? 11.083 45.233 35.010 1.00 7.54 ? 465 THR A CB 1 -ATOM 3556 O OG1 . THR A 1 507 ? 9.860 45.502 35.713 1.00 6.13 ? 465 THR A OG1 1 -ATOM 3557 C CG2 . THR A 1 507 ? 11.180 43.722 34.827 1.00 7.54 ? 465 THR A CG2 1 -ATOM 3558 N N . ALA A 1 508 ? 13.922 46.080 34.112 1.00 7.58 ? 466 ALA A N 1 -ATOM 3559 C CA . ALA A 1 508 ? 15.209 45.800 33.450 1.00 7.22 ? 466 ALA A CA 1 -ATOM 3560 C C . ALA A 1 508 ? 16.362 46.074 34.400 1.00 6.85 ? 466 ALA A C 1 -ATOM 3561 O O . ALA A 1 508 ? 17.334 45.306 34.481 1.00 8.22 ? 466 ALA A O 1 -ATOM 3562 C CB . ALA A 1 508 ? 15.313 46.651 32.184 1.00 10.46 ? 466 ALA A CB 1 -ATOM 3563 N N . ARG A 1 509 ? 16.278 47.148 35.197 1.00 7.37 ? 467 ARG A N 1 -ATOM 3564 C CA . ARG A 1 509 ? 17.318 47.447 36.181 1.00 11.62 ? 467 ARG A CA 1 -ATOM 3565 C C . ARG A 1 509 ? 17.502 46.349 37.219 1.00 11.02 ? 467 ARG A C 1 -ATOM 3566 O O . ARG A 1 509 ? 18.599 46.230 37.788 1.00 11.92 ? 467 ARG A O 1 -ATOM 3567 C CB . ARG A 1 509 ? 17.028 48.762 36.923 1.00 11.52 ? 467 ARG A CB 1 -ATOM 3568 C CG . ARG A 1 509 ? 17.268 49.985 36.055 1.00 14.62 ? 467 ARG A CG 1 -ATOM 3569 C CD . ARG A 1 509 ? 16.930 51.287 36.774 1.00 14.90 ? 467 ARG A CD 1 -ATOM 3570 N NE . ARG A 1 509 ? 16.785 52.368 35.793 1.00 14.84 ? 467 ARG A NE 1 -ATOM 3571 C CZ . ARG A 1 509 ? 17.787 53.170 35.424 1.00 16.96 ? 467 ARG A CZ 1 -ATOM 3572 N NH1 . ARG A 1 509 ? 18.995 53.020 35.955 1.00 14.93 ? 467 ARG A NH1 1 -ATOM 3573 N NH2 . ARG A 1 509 ? 17.574 54.116 34.517 1.00 14.82 ? 467 ARG A NH2 1 -ATOM 3574 N N . HIS A 1 510 ? 16.456 45.579 37.521 1.00 8.14 ? 468 HIS A N 1 -ATOM 3575 C CA . HIS A 1 510 ? 16.539 44.529 38.521 1.00 8.05 ? 468 HIS A CA 1 -ATOM 3576 C C . HIS A 1 510 ? 16.871 43.156 37.959 1.00 8.86 ? 468 HIS A C 1 -ATOM 3577 O O . HIS A 1 510 ? 16.866 42.186 38.725 1.00 10.57 ? 468 HIS A O 1 -ATOM 3578 C CB . HIS A 1 510 ? 15.187 44.447 39.277 1.00 8.05 ? 468 HIS A CB 1 -ATOM 3579 C CG . HIS A 1 510 ? 15.080 45.494 40.345 1.00 10.93 ? 468 HIS A CG 1 -ATOM 3580 N ND1 . HIS A 1 510 ? 14.748 46.802 40.069 1.00 11.17 ? 468 HIS A ND1 1 -ATOM 3581 C CD2 . HIS A 1 510 ? 15.289 45.426 41.686 1.00 10.44 ? 468 HIS A CD2 1 -ATOM 3582 C CE1 . HIS A 1 510 ? 14.753 47.503 41.193 1.00 14.28 ? 468 HIS A CE1 1 -ATOM 3583 N NE2 . HIS A 1 510 ? 15.075 46.683 42.195 1.00 11.22 ? 468 HIS A NE2 1 -ATOM 3584 N N . ALA A 1 511 ? 17.145 43.026 36.667 1.00 8.95 ? 469 ALA A N 1 -ATOM 3585 C CA . ALA A 1 511 ? 17.396 41.712 36.090 1.00 9.95 ? 469 ALA A CA 1 -ATOM 3586 C C . ALA A 1 511 ? 18.822 41.217 36.323 1.00 12.61 ? 469 ALA A C 1 -ATOM 3587 O O . ALA A 1 511 ? 19.736 42.012 36.521 1.00 10.51 ? 469 ALA A O 1 -ATOM 3588 C CB . ALA A 1 511 ? 17.164 41.732 34.581 1.00 12.87 ? 469 ALA A CB 1 -ATOM 3589 N N . ASP A 1 512 ? 18.984 39.904 36.195 1.00 11.39 ? 470 ASP A N 1 -ATOM 3590 C CA . ASP A 1 512 ? 20.318 39.316 36.243 1.00 11.55 ? 470 ASP A CA 1 -ATOM 3591 C C . ASP A 1 512 ? 20.904 39.388 34.834 1.00 10.75 ? 470 ASP A C 1 -ATOM 3592 O O . ASP A 1 512 ? 22.105 39.514 34.639 1.00 12.40 ? 470 ASP A O 1 -ATOM 3593 C CB . ASP A 1 512 ? 20.299 37.855 36.695 1.00 11.70 ? 470 ASP A CB 1 -ATOM 3594 C CG . ASP A 1 512 ? 19.888 37.723 38.148 1.00 12.56 ? 470 ASP A CG 1 -ATOM 3595 O OD1 . ASP A 1 512 ? 20.452 38.447 38.998 1.00 12.11 ? 470 ASP A OD1 1 -ATOM 3596 O OD2 . ASP A 1 512 ? 19.006 36.891 38.432 1.00 12.62 ? 470 ASP A OD2 1 -ATOM 3597 N N . ILE A 1 513 ? 20.045 39.180 33.835 1.00 8.58 ? 471 ILE A N 1 -ATOM 3598 C CA . ILE A 1 513 ? 20.462 39.252 32.430 1.00 8.68 ? 471 ILE A CA 1 -ATOM 3599 C C . ILE A 1 513 ? 19.469 40.159 31.702 1.00 8.85 ? 471 ILE A C 1 -ATOM 3600 O O . ILE A 1 513 ? 18.262 39.927 31.830 1.00 7.38 ? 471 ILE A O 1 -ATOM 3601 C CB . ILE A 1 513 ? 20.488 37.862 31.772 1.00 11.94 ? 471 ILE A CB 1 -ATOM 3602 C CG1 . ILE A 1 513 ? 21.461 36.915 32.492 1.00 12.48 ? 471 ILE A CG1 1 -ATOM 3603 C CG2 . ILE A 1 513 ? 20.875 37.979 30.302 1.00 12.45 ? 471 ILE A CG2 1 -ATOM 3604 C CD1 . ILE A 1 513 ? 21.286 35.456 32.123 1.00 13.24 ? 471 ILE A CD1 1 -ATOM 3605 N N . VAL A 1 514 ? 19.959 41.195 31.031 1.00 8.37 ? 472 VAL A N 1 -ATOM 3606 C CA . VAL A 1 514 ? 19.088 42.137 30.322 1.00 9.23 ? 472 VAL A CA 1 -ATOM 3607 C C . VAL A 1 514 ? 19.400 42.085 28.828 1.00 9.58 ? 472 VAL A C 1 -ATOM 3608 O O . VAL A 1 514 ? 20.578 42.300 28.484 1.00 11.49 ? 472 VAL A O 1 -ATOM 3609 C CB . VAL A 1 514 ? 19.334 43.599 30.760 1.00 16.33 ? 472 VAL A CB 1 -ATOM 3610 C CG1 . VAL A 1 514 ? 18.391 44.545 30.023 1.00 17.49 ? 472 VAL A CG1 1 -ATOM 3611 C CG2 . VAL A 1 514 ? 19.219 43.833 32.251 1.00 17.23 ? 472 VAL A CG2 1 -ATOM 3612 N N . LEU A 1 515 ? 18.426 41.816 27.964 1.00 7.78 ? 473 LEU A N 1 -ATOM 3613 C CA . LEU A 1 515 ? 18.680 41.784 26.525 1.00 8.09 ? 473 LEU A CA 1 -ATOM 3614 C C . LEU A 1 515 ? 17.875 42.872 25.825 1.00 10.43 ? 473 LEU A C 1 -ATOM 3615 O O . LEU A 1 515 ? 16.666 42.999 26.021 1.00 8.23 ? 473 LEU A O 1 -ATOM 3616 C CB . LEU A 1 515 ? 18.315 40.411 25.935 1.00 9.94 ? 473 LEU A CB 1 -ATOM 3617 C CG . LEU A 1 515 ? 18.953 39.211 26.651 1.00 11.57 ? 473 LEU A CG 1 -ATOM 3618 C CD1 . LEU A 1 515 ? 18.444 37.893 26.082 1.00 12.73 ? 473 LEU A CD1 1 -ATOM 3619 C CD2 . LEU A 1 515 ? 20.471 39.283 26.572 1.00 12.28 ? 473 LEU A CD2 1 -ATOM 3620 N N . PRO A 1 516 ? 18.528 43.655 24.980 1.00 9.75 ? 474 PRO A N 1 -ATOM 3621 C CA . PRO A 1 516 ? 17.876 44.765 24.310 1.00 9.44 ? 474 PRO A CA 1 -ATOM 3622 C C . PRO A 1 516 ? 17.041 44.316 23.126 1.00 10.08 ? 474 PRO A C 1 -ATOM 3623 O O . PRO A 1 516 ? 17.519 43.770 22.127 1.00 9.82 ? 474 PRO A O 1 -ATOM 3624 C CB . PRO A 1 516 ? 19.034 45.653 23.853 1.00 9.44 ? 474 PRO A CB 1 -ATOM 3625 C CG . PRO A 1 516 ? 20.147 44.680 23.622 1.00 11.05 ? 474 PRO A CG 1 -ATOM 3626 C CD . PRO A 1 516 ? 19.973 43.596 24.662 1.00 10.97 ? 474 PRO A CD 1 -ATOM 3627 N N . ALA A 1 517 ? 15.747 44.584 23.265 1.00 9.15 ? 475 ALA A N 1 -ATOM 3628 C CA . ALA A 1 517 ? 14.796 44.271 22.205 1.00 9.74 ? 475 ALA A CA 1 -ATOM 3629 C C . ALA A 1 517 ? 14.627 45.479 21.288 1.00 7.57 ? 475 ALA A C 1 -ATOM 3630 O O . ALA A 1 517 ? 14.948 46.603 21.665 1.00 9.87 ? 475 ALA A O 1 -ATOM 3631 C CB . ALA A 1 517 ? 13.443 43.987 22.858 1.00 10.17 ? 475 ALA A CB 1 -ATOM 3632 N N . THR A 1 518 ? 14.073 45.238 20.107 1.00 8.21 ? 476 THR A N 1 -ATOM 3633 C CA . THR A 1 518 ? 13.753 46.341 19.204 1.00 6.51 ? 476 THR A CA 1 -ATOM 3634 C C . THR A 1 518 ? 12.323 46.790 19.512 1.00 5.75 ? 476 THR A C 1 -ATOM 3635 O O . THR A 1 518 ? 11.554 46.089 20.176 1.00 7.65 ? 476 THR A O 1 -ATOM 3636 C CB . THR A 1 518 ? 13.804 45.923 17.727 1.00 7.27 ? 476 THR A CB 1 -ATOM 3637 O OG1 . THR A 1 518 ? 13.130 44.670 17.529 1.00 7.58 ? 476 THR A OG1 1 -ATOM 3638 C CG2 . THR A 1 518 ? 15.256 45.790 17.280 1.00 11.20 ? 476 THR A CG2 1 -ATOM 3639 N N . THR A 1 519 ? 11.969 47.957 19.000 1.00 7.01 ? 477 THR A N 1 -ATOM 3640 C CA . THR A 1 519 ? 10.615 48.458 19.027 1.00 6.90 ? 477 THR A CA 1 -ATOM 3641 C C . THR A 1 519 ? 9.901 47.901 17.792 1.00 8.97 ? 477 THR A C 1 -ATOM 3642 O O . THR A 1 519 ? 10.530 47.374 16.857 1.00 8.60 ? 477 THR A O 1 -ATOM 3643 C CB . THR A 1 519 ? 10.522 49.995 18.953 1.00 6.44 ? 477 THR A CB 1 -ATOM 3644 O OG1 . THR A 1 519 ? 10.997 50.428 17.660 1.00 6.70 ? 477 THR A OG1 1 -ATOM 3645 C CG2 . THR A 1 519 ? 11.366 50.644 20.037 1.00 7.57 ? 477 THR A CG2 1 -ATOM 3646 N N . SER A 1 520 ? 8.585 48.136 17.703 1.00 6.85 ? 478 SER A N 1 -ATOM 3647 C CA . SER A 1 520 ? 7.839 47.767 16.518 1.00 6.45 ? 478 SER A CA 1 -ATOM 3648 C C . SER A 1 520 ? 8.327 48.533 15.288 1.00 5.75 ? 478 SER A C 1 -ATOM 3649 O O . SER A 1 520 ? 8.089 48.087 14.168 1.00 8.50 ? 478 SER A O 1 -ATOM 3650 C CB . SER A 1 520 ? 6.348 48.155 16.634 1.00 7.99 ? 478 SER A CB 1 -ATOM 3651 O OG . SER A 1 520 ? 5.701 47.367 17.621 1.00 9.58 ? 478 SER A OG 1 -ATOM 3652 N N . TYR A 1 521 ? 8.924 49.705 15.471 1.00 6.72 ? 479 TYR A N 1 -ATOM 3653 C CA . TYR A 1 521 ? 9.320 50.592 14.397 1.00 5.97 ? 479 TYR A CA 1 -ATOM 3654 C C . TYR A 1 521 ? 10.584 50.143 13.698 1.00 8.32 ? 479 TYR A C 1 -ATOM 3655 O O . TYR A 1 521 ? 10.950 50.754 12.694 1.00 9.63 ? 479 TYR A O 1 -ATOM 3656 C CB . TYR A 1 521 ? 9.407 52.064 14.922 1.00 4.73 ? 479 TYR A CB 1 -ATOM 3657 C CG . TYR A 1 521 ? 8.256 52.183 15.925 1.00 6.92 ? 479 TYR A CG 1 -ATOM 3658 C CD1 . TYR A 1 521 ? 6.956 51.984 15.466 1.00 6.34 ? 479 TYR A CD1 1 -ATOM 3659 C CD2 . TYR A 1 521 ? 8.490 52.369 17.276 1.00 8.75 ? 479 TYR A CD2 1 -ATOM 3660 C CE1 . TYR A 1 521 ? 5.888 52.001 16.356 1.00 7.31 ? 479 TYR A CE1 1 -ATOM 3661 C CE2 . TYR A 1 521 ? 7.422 52.389 18.168 1.00 9.94 ? 479 TYR A CE2 1 -ATOM 3662 C CZ . TYR A 1 521 ? 6.136 52.202 17.693 1.00 9.38 ? 479 TYR A CZ 1 -ATOM 3663 O OH . TYR A 1 521 ? 5.076 52.201 18.573 1.00 10.81 ? 479 TYR A OH 1 -ATOM 3664 N N . GLU A 1 522 ? 11.253 49.123 14.217 1.00 8.20 ? 480 GLU A N 1 -ATOM 3665 C CA . GLU A 1 522 ? 12.478 48.590 13.638 1.00 7.58 ? 480 GLU A CA 1 -ATOM 3666 C C . GLU A 1 522 ? 12.273 47.211 13.024 1.00 8.15 ? 480 GLU A C 1 -ATOM 3667 O O . GLU A 1 522 ? 13.225 46.443 12.837 1.00 9.17 ? 480 GLU A O 1 -ATOM 3668 C CB . GLU A 1 522 ? 13.519 48.487 14.774 1.00 8.25 ? 480 GLU A CB 1 -ATOM 3669 C CG . GLU A 1 522 ? 13.991 49.848 15.279 1.00 8.54 ? 480 GLU A CG 1 -ATOM 3670 C CD . GLU A 1 522 ? 14.371 49.783 16.756 1.00 11.29 ? 480 GLU A CD 1 -ATOM 3671 O OE1 . GLU A 1 522 ? 15.482 49.316 17.062 1.00 12.62 ? 480 GLU A OE1 1 -ATOM 3672 O OE2 . GLU A 1 522 ? 13.562 50.196 17.601 1.00 13.25 ? 480 GLU A OE2 1 -ATOM 3673 N N . ARG A 1 523 ? 11.038 46.880 12.678 1.00 7.57 ? 481 ARG A N 1 -ATOM 3674 C CA . ARG A 1 523 ? 10.690 45.568 12.133 1.00 9.01 ? 481 ARG A CA 1 -ATOM 3675 C C . ARG A 1 523 ? 9.356 45.643 11.397 1.00 8.65 ? 481 ARG A C 1 -ATOM 3676 O O . ARG A 1 523 ? 8.768 46.727 11.399 1.00 7.35 ? 481 ARG A O 1 -ATOM 3677 C CB . ARG A 1 523 ? 10.603 44.513 13.234 1.00 9.88 ? 481 ARG A CB 1 -ATOM 3678 C CG . ARG A 1 523 ? 9.506 44.773 14.270 1.00 10.23 ? 481 ARG A CG 1 -ATOM 3679 C CD . ARG A 1 523 ? 9.848 44.091 15.597 1.00 10.08 ? 481 ARG A CD 1 -ATOM 3680 N NE . ARG A 1 523 ? 8.777 44.257 16.589 1.00 9.15 ? 481 ARG A NE 1 -ATOM 3681 C CZ . ARG A 1 523 ? 8.951 44.334 17.902 1.00 10.07 ? 481 ARG A CZ 1 -ATOM 3682 N NH1 . ARG A 1 523 ? 10.177 44.276 18.408 1.00 8.17 ? 481 ARG A NH1 1 -ATOM 3683 N NH2 . ARG A 1 523 ? 7.899 44.472 18.718 1.00 7.97 ? 481 ARG A NH2 1 -ATOM 3684 N N . ASN A 1 524 ? 8.917 44.549 10.784 1.00 6.97 ? 482 ASN A N 1 -ATOM 3685 C CA . ASN A 1 524 ? 7.651 44.532 10.063 1.00 9.11 ? 482 ASN A CA 1 -ATOM 3686 C C . ASN A 1 524 ? 6.643 43.655 10.806 1.00 8.54 ? 482 ASN A C 1 -ATOM 3687 O O . ASN A 1 524 ? 7.077 42.677 11.403 1.00 8.98 ? 482 ASN A O 1 -ATOM 3688 C CB . ASN A 1 524 ? 7.770 43.927 8.650 1.00 7.69 ? 482 ASN A CB 1 -ATOM 3689 C CG . ASN A 1 524 ? 8.619 44.824 7.759 1.00 9.99 ? 482 ASN A CG 1 -ATOM 3690 O OD1 . ASN A 1 524 ? 8.158 45.881 7.334 1.00 8.50 ? 482 ASN A OD1 1 -ATOM 3691 N ND2 . ASN A 1 524 ? 9.845 44.380 7.517 1.00 11.02 ? 482 ASN A ND2 1 -ATOM 3692 N N . ASP A 1 525 ? 5.357 43.937 10.664 1.00 5.55 ? 483 ASP A N 1 -ATOM 3693 C CA . ASP A 1 525 ? 4.349 43.119 11.331 1.00 7.60 ? 483 ASP A CA 1 -ATOM 3694 C C . ASP A 1 525 ? 2.991 43.425 10.702 1.00 8.13 ? 483 ASP A C 1 -ATOM 3695 O O . ASP A 1 525 ? 2.919 44.230 9.776 1.00 8.50 ? 483 ASP A O 1 -ATOM 3696 C CB . ASP A 1 525 ? 4.296 43.438 12.832 1.00 8.46 ? 483 ASP A CB 1 -ATOM 3697 C CG . ASP A 1 525 ? 3.987 42.223 13.685 1.00 8.81 ? 483 ASP A CG 1 -ATOM 3698 O OD1 . ASP A 1 525 ? 3.221 41.351 13.247 1.00 10.50 ? 483 ASP A OD1 1 -ATOM 3699 O OD2 . ASP A 1 525 ? 4.523 42.141 14.814 1.00 10.07 ? 483 ASP A OD2 1 -ATOM 3700 N N . ILE A 1 526 ? 1.959 42.803 11.257 1.00 8.47 ? 484 ILE A N 1 -ATOM 3701 C CA . ILE A 1 526 ? 0.601 43.028 10.763 1.00 6.17 ? 484 ILE A CA 1 -ATOM 3702 C C . ILE A 1 526 ? -0.355 42.991 11.951 1.00 9.04 ? 484 ILE A C 1 -ATOM 3703 O O . ILE A 1 526 ? -0.111 42.224 12.894 1.00 8.57 ? 484 ILE A O 1 -ATOM 3704 C CB . ILE A 1 526 ? 0.289 41.937 9.723 1.00 9.16 ? 484 ILE A CB 1 -ATOM 3705 C CG1 . ILE A 1 526 ? -1.056 42.210 9.044 1.00 10.50 ? 484 ILE A CG1 1 -ATOM 3706 C CG2 . ILE A 1 526 ? 0.307 40.543 10.342 1.00 10.59 ? 484 ILE A CG2 1 -ATOM 3707 C CD1 . ILE A 1 526 ? -1.314 41.247 7.892 1.00 13.72 ? 484 ILE A CD1 1 -ATOM 3708 N N . GLU A 1 527 ? -1.404 43.819 11.943 1.00 9.81 ? 485 GLU A N 1 -ATOM 3709 C CA . GLU A 1 527 ? -2.307 43.782 13.104 1.00 7.48 ? 485 GLU A CA 1 -ATOM 3710 C C . GLU A 1 527 ? -3.675 44.342 12.741 1.00 12.09 ? 485 GLU A C 1 -ATOM 3711 O O . GLU A 1 527 ? -3.822 45.109 11.790 1.00 10.91 ? 485 GLU A O 1 -ATOM 3712 C CB . GLU A 1 527 ? -1.677 44.579 14.253 1.00 9.37 ? 485 GLU A CB 1 -ATOM 3713 C CG . GLU A 1 527 ? -2.451 44.610 15.568 1.00 6.91 ? 485 GLU A CG 1 -ATOM 3714 C CD . GLU A 1 527 ? -2.644 43.218 16.142 1.00 10.46 ? 485 GLU A CD 1 -ATOM 3715 O OE1 . GLU A 1 527 ? -3.593 42.527 15.714 1.00 11.53 ? 485 GLU A OE1 1 -ATOM 3716 O OE2 . GLU A 1 527 ? -1.844 42.841 17.021 1.00 11.92 ? 485 GLU A OE2 1 -ATOM 3717 N N . THR A 1 528 ? -4.667 43.948 13.528 1.00 7.84 ? 486 THR A N 1 -ATOM 3718 C CA . THR A 1 528 ? -6.028 44.427 13.381 1.00 8.37 ? 486 THR A CA 1 -ATOM 3719 C C . THR A 1 528 ? -6.162 45.848 13.916 1.00 7.10 ? 486 THR A C 1 -ATOM 3720 O O . THR A 1 528 ? -5.536 46.187 14.921 1.00 7.84 ? 486 THR A O 1 -ATOM 3721 C CB . THR A 1 528 ? -6.951 43.527 14.249 1.00 9.26 ? 486 THR A CB 1 -ATOM 3722 O OG1 . THR A 1 528 ? -6.870 42.182 13.746 1.00 10.39 ? 486 THR A OG1 1 -ATOM 3723 C CG2 . THR A 1 528 ? -8.396 43.993 14.202 1.00 10.77 ? 486 THR A CG2 1 -ATOM 3724 N N . ILE A 1 529 ? -7.027 46.630 13.290 1.00 10.08 ? 487 ILE A N 1 -ATOM 3725 C CA . ILE A 1 529 ? -7.391 47.949 13.781 1.00 9.31 ? 487 ILE A CA 1 -ATOM 3726 C C . ILE A 1 529 ? -8.761 47.794 14.439 1.00 11.44 ? 487 ILE A C 1 -ATOM 3727 O O . ILE A 1 529 ? -9.705 47.458 13.714 1.00 9.93 ? 487 ILE A O 1 -ATOM 3728 C CB . ILE A 1 529 ? -7.534 48.998 12.666 1.00 10.89 ? 487 ILE A CB 1 -ATOM 3729 C CG1 . ILE A 1 529 ? -6.232 49.079 11.870 1.00 9.36 ? 487 ILE A CG1 1 -ATOM 3730 C CG2 . ILE A 1 529 ? -7.948 50.346 13.239 1.00 12.20 ? 487 ILE A CG2 1 -ATOM 3731 C CD1 . ILE A 1 529 ? -6.343 49.915 10.608 1.00 13.03 ? 487 ILE A CD1 1 -ATOM 3732 N N . GLY A 1 530 ? -8.830 47.950 15.756 1.00 9.85 ? 488 GLY A N 1 -ATOM 3733 C CA . GLY A 1 530 ? -10.105 47.862 16.443 1.00 10.41 ? 488 GLY A CA 1 -ATOM 3734 C C . GLY A 1 530 ? -10.376 46.564 17.167 1.00 10.93 ? 488 GLY A C 1 -ATOM 3735 O O . GLY A 1 530 ? -10.824 45.583 16.553 1.00 9.97 ? 488 GLY A O 1 -ATOM 3736 N N . ASP A 1 531 ? -10.165 46.533 18.483 1.00 9.01 ? 489 ASP A N 1 -ATOM 3737 C CA . ASP A 1 531 ? -10.450 45.341 19.275 1.00 12.36 ? 489 ASP A CA 1 -ATOM 3738 C C . ASP A 1 531 ? -11.877 44.823 19.116 1.00 11.80 ? 489 ASP A C 1 -ATOM 3739 O O . ASP A 1 531 ? -12.084 43.607 19.119 1.00 12.12 ? 489 ASP A O 1 -ATOM 3740 C CB . ASP A 1 531 ? -10.219 45.647 20.769 1.00 11.33 ? 489 ASP A CB 1 -ATOM 3741 C CG . ASP A 1 531 ? -8.726 45.593 21.072 1.00 12.92 ? 489 ASP A CG 1 -ATOM 3742 O OD1 . ASP A 1 531 ? -8.236 44.459 21.280 1.00 13.59 ? 489 ASP A OD1 1 -ATOM 3743 O OD2 . ASP A 1 531 ? -8.091 46.665 21.073 1.00 10.18 ? 489 ASP A OD2 1 -ATOM 3744 N N . TYR A 1 532 ? -12.851 45.712 19.036 1.00 9.99 ? 490 TYR A N 1 -ATOM 3745 C CA . TYR A 1 532 ? -14.254 45.344 18.881 1.00 9.89 ? 490 TYR A CA 1 -ATOM 3746 C C . TYR A 1 532 ? -14.784 45.634 17.482 1.00 11.40 ? 490 TYR A C 1 -ATOM 3747 O O . TYR A 1 532 ? -15.584 44.890 16.914 1.00 12.33 ? 490 TYR A O 1 -ATOM 3748 C CB . TYR A 1 532 ? -15.102 46.159 19.868 1.00 8.86 ? 490 TYR A CB 1 -ATOM 3749 C CG . TYR A 1 532 ? -14.824 45.838 21.317 1.00 8.91 ? 490 TYR A CG 1 -ATOM 3750 C CD1 . TYR A 1 532 ? -15.308 44.676 21.891 1.00 11.52 ? 490 TYR A CD1 1 -ATOM 3751 C CD2 . TYR A 1 532 ? -14.076 46.697 22.105 1.00 9.54 ? 490 TYR A CD2 1 -ATOM 3752 C CE1 . TYR A 1 532 ? -15.051 44.377 23.220 1.00 14.01 ? 490 TYR A CE1 1 -ATOM 3753 C CE2 . TYR A 1 532 ? -13.819 46.406 23.438 1.00 10.91 ? 490 TYR A CE2 1 -ATOM 3754 C CZ . TYR A 1 532 ? -14.318 45.254 23.989 1.00 13.79 ? 490 TYR A CZ 1 -ATOM 3755 O OH . TYR A 1 532 ? -14.062 44.954 25.308 1.00 14.17 ? 490 TYR A OH 1 -ATOM 3756 N N . SER A 1 533 ? -14.357 46.763 16.915 1.00 9.82 ? 491 SER A N 1 -ATOM 3757 C CA . SER A 1 533 ? -14.839 47.178 15.604 1.00 11.06 ? 491 SER A CA 1 -ATOM 3758 C C . SER A 1 533 ? -14.307 46.357 14.445 1.00 12.97 ? 491 SER A C 1 -ATOM 3759 O O . SER A 1 533 ? -14.978 46.275 13.409 1.00 11.67 ? 491 SER A O 1 -ATOM 3760 C CB . SER A 1 533 ? -14.502 48.658 15.382 1.00 9.95 ? 491 SER A CB 1 -ATOM 3761 O OG . SER A 1 533 ? -13.124 48.855 15.092 1.00 9.71 ? 491 SER A OG 1 -ATOM 3762 N N . ASN A 1 534 ? -13.089 45.829 14.554 1.00 10.68 ? 492 ASN A N 1 -ATOM 3763 C CA . ASN A 1 534 ? -12.467 45.138 13.420 1.00 10.49 ? 492 ASN A CA 1 -ATOM 3764 C C . ASN A 1 534 ? -12.573 46.037 12.188 1.00 10.48 ? 492 ASN A C 1 -ATOM 3765 O O . ASN A 1 534 ? -12.987 45.611 11.111 1.00 11.32 ? 492 ASN A O 1 -ATOM 3766 C CB . ASN A 1 534 ? -13.051 43.760 13.145 1.00 11.23 ? 492 ASN A CB 1 -ATOM 3767 C CG . ASN A 1 534 ? -12.220 42.925 12.190 1.00 14.32 ? 492 ASN A CG 1 -ATOM 3768 O OD1 . ASN A 1 534 ? -11.029 43.178 11.985 1.00 16.60 ? 492 ASN A OD1 1 -ATOM 3769 N ND2 . ASN A 1 534 ? -12.826 41.918 11.571 1.00 13.17 ? 492 ASN A ND2 1 -ATOM 3770 N N . THR A 1 535 ? -12.131 47.283 12.294 1.00 8.12 ? 493 THR A N 1 -ATOM 3771 C CA . THR A 1 535 ? -12.154 48.263 11.223 1.00 11.26 ? 493 THR A CA 1 -ATOM 3772 C C . THR A 1 535 ? -11.350 47.848 9.999 1.00 12.76 ? 493 THR A C 1 -ATOM 3773 O O . THR A 1 535 ? -11.740 48.137 8.862 1.00 12.26 ? 493 THR A O 1 -ATOM 3774 C CB . THR A 1 535 ? -11.619 49.605 11.774 1.00 13.38 ? 493 THR A CB 1 -ATOM 3775 O OG1 . THR A 1 535 ? -12.583 50.084 12.723 1.00 15.65 ? 493 THR A OG1 1 -ATOM 3776 C CG2 . THR A 1 535 ? -11.412 50.682 10.726 1.00 14.96 ? 493 THR A CG2 1 -ATOM 3777 N N . GLY A 1 536 ? -10.211 47.199 10.219 1.00 11.21 ? 494 GLY A N 1 -ATOM 3778 C CA . GLY A 1 536 ? -9.377 46.779 9.095 1.00 11.98 ? 494 GLY A CA 1 -ATOM 3779 C C . GLY A 1 536 ? -8.119 46.091 9.608 1.00 11.53 ? 494 GLY A C 1 -ATOM 3780 O O . GLY A 1 536 ? -8.008 45.753 10.786 1.00 11.04 ? 494 GLY A O 1 -ATOM 3781 N N . ILE A 1 537 ? -7.219 45.862 8.666 1.00 6.10 ? 495 ILE A N 1 -ATOM 3782 C CA . ILE A 1 537 ? -5.930 45.236 8.949 1.00 8.66 ? 495 ILE A CA 1 -ATOM 3783 C C . ILE A 1 537 ? -4.839 46.186 8.460 1.00 10.53 ? 495 ILE A C 1 -ATOM 3784 O O . ILE A 1 537 ? -4.950 46.710 7.347 1.00 10.42 ? 495 ILE A O 1 -ATOM 3785 C CB . ILE A 1 537 ? -5.798 43.879 8.243 1.00 11.18 ? 495 ILE A CB 1 -ATOM 3786 C CG1 . ILE A 1 537 ? -6.789 42.857 8.814 1.00 13.73 ? 495 ILE A CG1 1 -ATOM 3787 C CG2 . ILE A 1 537 ? -4.363 43.391 8.374 1.00 12.12 ? 495 ILE A CG2 1 -ATOM 3788 C CD1 . ILE A 1 537 ? -6.790 41.538 8.064 1.00 17.32 ? 495 ILE A CD1 1 -ATOM 3789 N N . LEU A 1 538 ? -3.832 46.435 9.289 1.00 8.57 ? 496 LEU A N 1 -ATOM 3790 C CA . LEU A 1 538 ? -2.764 47.361 8.939 1.00 8.29 ? 496 LEU A CA 1 -ATOM 3791 C C . LEU A 1 538 ? -1.420 46.665 8.761 1.00 7.75 ? 496 LEU A C 1 -ATOM 3792 O O . LEU A 1 538 ? -1.069 45.765 9.525 1.00 8.89 ? 496 LEU A O 1 -ATOM 3793 C CB . LEU A 1 538 ? -2.582 48.354 10.105 1.00 11.12 ? 496 LEU A CB 1 -ATOM 3794 C CG . LEU A 1 538 ? -1.535 49.461 9.908 1.00 13.46 ? 496 LEU A CG 1 -ATOM 3795 C CD1 . LEU A 1 538 ? -2.067 50.514 8.958 1.00 13.60 ? 496 LEU A CD1 1 -ATOM 3796 C CD2 . LEU A 1 538 ? -1.187 50.074 11.261 1.00 15.15 ? 496 LEU A CD2 1 -ATOM 3797 N N . ALA A 1 539 ? -0.640 47.113 7.786 1.00 6.45 ? 497 ALA A N 1 -ATOM 3798 C CA . ALA A 1 539 ? 0.734 46.643 7.627 1.00 8.06 ? 497 ALA A CA 1 -ATOM 3799 C C . ALA A 1 539 ? 1.591 47.537 8.531 1.00 9.64 ? 497 ALA A C 1 -ATOM 3800 O O . ALA A 1 539 ? 1.552 48.761 8.366 1.00 10.09 ? 497 ALA A O 1 -ATOM 3801 C CB . ALA A 1 539 ? 1.189 46.801 6.178 1.00 9.38 ? 497 ALA A CB 1 -ATOM 3802 N N . MET A 1 540 ? 2.234 46.969 9.538 1.00 7.55 ? 498 MET A N 1 -ATOM 3803 C CA . MET A 1 540 ? 3.082 47.727 10.454 1.00 9.22 ? 498 MET A CA 1 -ATOM 3804 C C . MET A 1 540 ? 4.492 47.683 9.863 1.00 7.78 ? 498 MET A C 1 -ATOM 3805 O O . MET A 1 540 ? 5.306 46.822 10.194 1.00 9.24 ? 498 MET A O 1 -ATOM 3806 C CB . MET A 1 540 ? 3.051 47.092 11.849 1.00 6.61 ? 498 MET A CB 1 -ATOM 3807 C CG . MET A 1 540 ? 1.697 47.257 12.541 1.00 7.74 ? 498 MET A CG 1 -ATOM 3808 S SD . MET A 1 540 ? 1.612 46.384 14.113 1.00 10.38 ? 498 MET A SD 1 -ATOM 3809 C CE . MET A 1 540 ? 2.875 47.205 15.086 1.00 13.10 ? 498 MET A CE 1 -ATOM 3810 N N . LYS A 1 541 ? 4.744 48.585 8.920 1.00 9.74 ? 499 LYS A N 1 -ATOM 3811 C CA . LYS A 1 541 ? 5.982 48.585 8.164 1.00 8.78 ? 499 LYS A CA 1 -ATOM 3812 C C . LYS A 1 541 ? 7.182 49.108 8.931 1.00 8.92 ? 499 LYS A C 1 -ATOM 3813 O O . LYS A 1 541 ? 7.109 50.014 9.748 1.00 8.12 ? 499 LYS A O 1 -ATOM 3814 C CB . LYS A 1 541 ? 5.797 49.415 6.877 1.00 9.15 ? 499 LYS A CB 1 -ATOM 3815 C CG . LYS A 1 541 ? 4.699 48.839 5.985 1.00 11.34 ? 499 LYS A CG 1 -ATOM 3816 C CD . LYS A 1 541 ? 4.699 49.598 4.653 1.00 11.79 ? 499 LYS A CD 1 -ATOM 3817 C CE . LYS A 1 541 ? 3.766 48.916 3.656 1.00 12.70 ? 499 LYS A CE 1 -ATOM 3818 N NZ . LYS A 1 541 ? 3.557 49.800 2.461 1.00 12.40 ? 499 LYS A NZ 1 -ATOM 3819 N N . LYS A 1 542 ? 8.326 48.497 8.648 1.00 8.23 ? 500 LYS A N 1 -ATOM 3820 C CA . LYS A 1 542 ? 9.593 48.899 9.251 1.00 8.34 ? 500 LYS A CA 1 -ATOM 3821 C C . LYS A 1 542 ? 9.881 50.359 8.896 1.00 9.02 ? 500 LYS A C 1 -ATOM 3822 O O . LYS A 1 542 ? 9.742 50.699 7.717 1.00 10.55 ? 500 LYS A O 1 -ATOM 3823 C CB . LYS A 1 542 ? 10.702 48.007 8.675 1.00 7.75 ? 500 LYS A CB 1 -ATOM 3824 C CG . LYS A 1 542 ? 12.094 48.373 9.191 1.00 11.85 ? 500 LYS A CG 1 -ATOM 3825 C CD . LYS A 1 542 ? 13.073 47.284 8.726 1.00 14.75 ? 500 LYS A CD 1 -ATOM 3826 C CE . LYS A 1 542 ? 14.492 47.575 9.175 1.00 19.57 ? 500 LYS A CE 1 -ATOM 3827 N NZ . LYS A 1 542 ? 15.420 46.458 8.821 1.00 20.26 ? 500 LYS A NZ 1 -ATOM 3828 N N . ILE A 1 543 ? 10.259 51.150 9.884 1.00 6.99 ? 501 ILE A N 1 -ATOM 3829 C CA . ILE A 1 543 ? 10.540 52.572 9.672 1.00 7.49 ? 501 ILE A CA 1 -ATOM 3830 C C . ILE A 1 543 ? 12.032 52.858 9.654 1.00 11.39 ? 501 ILE A C 1 -ATOM 3831 O O . ILE A 1 543 ? 12.541 53.610 8.812 1.00 12.04 ? 501 ILE A O 1 -ATOM 3832 C CB . ILE A 1 543 ? 9.868 53.401 10.791 1.00 8.82 ? 501 ILE A CB 1 -ATOM 3833 C CG1 . ILE A 1 543 ? 8.348 53.189 10.723 1.00 12.10 ? 501 ILE A CG1 1 -ATOM 3834 C CG2 . ILE A 1 543 ? 10.205 54.878 10.648 1.00 8.33 ? 501 ILE A CG2 1 -ATOM 3835 C CD1 . ILE A 1 543 ? 7.561 53.734 11.902 1.00 15.31 ? 501 ILE A CD1 1 -ATOM 3836 N N . VAL A 1 544 ? 12.764 52.327 10.628 1.00 7.98 ? 502 VAL A N 1 -ATOM 3837 C CA . VAL A 1 544 ? 14.202 52.524 10.739 1.00 9.44 ? 502 VAL A CA 1 -ATOM 3838 C C . VAL A 1 544 ? 14.907 51.201 11.014 1.00 10.80 ? 502 VAL A C 1 -ATOM 3839 O O . VAL A 1 544 ? 14.265 50.231 11.415 1.00 10.41 ? 502 VAL A O 1 -ATOM 3840 C CB . VAL A 1 544 ? 14.617 53.524 11.837 1.00 10.89 ? 502 VAL A CB 1 -ATOM 3841 C CG1 . VAL A 1 544 ? 14.090 54.925 11.540 1.00 11.80 ? 502 VAL A CG1 1 -ATOM 3842 C CG2 . VAL A 1 544 ? 14.145 53.113 13.226 1.00 11.65 ? 502 VAL A CG2 1 -ATOM 3843 N N . GLU A 1 545 ? 16.227 51.158 10.813 1.00 10.43 ? 503 GLU A N 1 -ATOM 3844 C CA . GLU A 1 545 ? 16.971 49.934 11.131 1.00 12.93 ? 503 GLU A CA 1 -ATOM 3845 C C . GLU A 1 545 ? 17.093 49.787 12.647 1.00 9.88 ? 503 GLU A C 1 -ATOM 3846 O O . GLU A 1 545 ? 17.089 50.777 13.365 1.00 10.74 ? 503 GLU A O 1 -ATOM 3847 C CB . GLU A 1 545 ? 18.393 50.001 10.569 1.00 15.43 ? 503 GLU A CB 1 -ATOM 3848 C CG . GLU A 1 545 ? 18.504 50.133 9.065 1.00 20.01 ? 503 GLU A CG 1 -ATOM 3849 C CD . GLU A 1 545 ? 17.798 49.009 8.334 1.00 23.07 ? 503 GLU A CD 1 -ATOM 3850 O OE1 . GLU A 1 545 ? 17.811 47.855 8.813 1.00 21.98 ? 503 GLU A OE1 1 -ATOM 3851 O OE2 . GLU A 1 545 ? 17.210 49.303 7.273 1.00 27.90 ? 503 GLU A OE2 1 -ATOM 3852 N N . PRO A 1 546 ? 17.258 48.564 13.135 1.00 11.75 ? 504 PRO A N 1 -ATOM 3853 C CA . PRO A 1 546 ? 17.461 48.332 14.561 1.00 10.97 ? 504 PRO A CA 1 -ATOM 3854 C C . PRO A 1 546 ? 18.561 49.222 15.109 1.00 14.13 ? 504 PRO A C 1 -ATOM 3855 O O . PRO A 1 546 ? 19.636 49.340 14.506 1.00 12.59 ? 504 PRO A O 1 -ATOM 3856 C CB . PRO A 1 546 ? 17.859 46.857 14.608 1.00 11.71 ? 504 PRO A CB 1 -ATOM 3857 C CG . PRO A 1 546 ? 17.114 46.258 13.460 1.00 12.95 ? 504 PRO A CG 1 -ATOM 3858 C CD . PRO A 1 546 ? 17.253 47.298 12.360 1.00 13.07 ? 504 PRO A CD 1 -ATOM 3859 N N . LEU A 1 547 ? 18.335 49.822 16.274 1.00 12.80 ? 505 LEU A N 1 -ATOM 3860 C CA . LEU A 1 547 ? 19.318 50.680 16.906 1.00 13.77 ? 505 LEU A CA 1 -ATOM 3861 C C . LEU A 1 547 ? 20.341 49.870 17.705 1.00 12.26 ? 505 LEU A C 1 -ATOM 3862 O O . LEU A 1 547 ? 20.007 48.842 18.289 1.00 9.56 ? 505 LEU A O 1 -ATOM 3863 C CB . LEU A 1 547 ? 18.653 51.675 17.861 1.00 15.77 ? 505 LEU A CB 1 -ATOM 3864 C CG . LEU A 1 547 ? 18.117 52.988 17.279 1.00 22.18 ? 505 LEU A CG 1 -ATOM 3865 C CD1 . LEU A 1 547 ? 17.681 53.907 18.416 1.00 23.13 ? 505 LEU A CD1 1 -ATOM 3866 C CD2 . LEU A 1 547 ? 19.164 53.710 16.446 1.00 27.25 ? 505 LEU A CD2 1 -ATOM 3867 N N . TYR A 1 548 ? 21.553 50.406 17.791 1.00 9.62 ? 506 TYR A N 1 -ATOM 3868 C CA . TYR A 1 548 ? 22.609 49.804 18.608 1.00 10.51 ? 506 TYR A CA 1 -ATOM 3869 C C . TYR A 1 548 ? 22.703 48.303 18.396 1.00 12.51 ? 506 TYR A C 1 -ATOM 3870 O O . TYR A 1 548 ? 22.820 47.911 17.235 1.00 14.05 ? 506 TYR A O 1 -ATOM 3871 C CB . TYR A 1 548 ? 22.377 50.152 20.086 1.00 14.37 ? 506 TYR A CB 1 -ATOM 3872 C CG . TYR A 1 548 ? 22.219 51.638 20.349 1.00 18.53 ? 506 TYR A CG 1 -ATOM 3873 C CD1 . TYR A 1 548 ? 23.288 52.511 20.188 1.00 21.46 ? 506 TYR A CD1 1 -ATOM 3874 C CD2 . TYR A 1 548 ? 20.998 52.163 20.747 1.00 22.44 ? 506 TYR A CD2 1 -ATOM 3875 C CE1 . TYR A 1 548 ? 23.141 53.864 20.429 1.00 23.60 ? 506 TYR A CE1 1 -ATOM 3876 C CE2 . TYR A 1 548 ? 20.839 53.519 20.987 1.00 24.23 ? 506 TYR A CE2 1 -ATOM 3877 C CZ . TYR A 1 548 ? 21.917 54.360 20.822 1.00 24.15 ? 506 TYR A CZ 1 -ATOM 3878 O OH . TYR A 1 548 ? 21.771 55.711 21.066 1.00 29.15 ? 506 TYR A OH 1 -ATOM 3879 N N . GLU A 1 549 ? 22.703 47.476 19.438 1.00 9.67 ? 507 GLU A N 1 -ATOM 3880 C CA . GLU A 1 549 ? 22.756 46.024 19.258 1.00 11.93 ? 507 GLU A CA 1 -ATOM 3881 C C . GLU A 1 549 ? 21.406 45.375 19.561 1.00 12.51 ? 507 GLU A C 1 -ATOM 3882 O O . GLU A 1 549 ? 21.323 44.181 19.876 1.00 11.81 ? 507 GLU A O 1 -ATOM 3883 C CB . GLU A 1 549 ? 23.835 45.370 20.139 1.00 13.18 ? 507 GLU A CB 1 -ATOM 3884 C CG . GLU A 1 549 ? 25.236 45.893 19.819 1.00 17.55 ? 507 GLU A CG 1 -ATOM 3885 C CD . GLU A 1 549 ? 26.346 45.174 20.557 1.00 20.58 ? 507 GLU A CD 1 -ATOM 3886 O OE1 . GLU A 1 549 ? 26.093 44.180 21.270 1.00 21.42 ? 507 GLU A OE1 1 -ATOM 3887 O OE2 . GLU A 1 549 ? 27.512 45.612 20.429 1.00 21.91 ? 507 GLU A OE2 1 -ATOM 3888 N N . ALA A 1 550 ? 20.324 46.143 19.432 1.00 12.28 ? 508 ALA A N 1 -ATOM 3889 C CA . ALA A 1 550 ? 18.982 45.620 19.719 1.00 8.09 ? 508 ALA A CA 1 -ATOM 3890 C C . ALA A 1 550 ? 18.560 44.555 18.721 1.00 10.74 ? 508 ALA A C 1 -ATOM 3891 O O . ALA A 1 550 ? 18.929 44.641 17.546 1.00 11.58 ? 508 ALA A O 1 -ATOM 3892 C CB . ALA A 1 550 ? 17.958 46.755 19.661 1.00 7.44 ? 508 ALA A CB 1 -ATOM 3893 N N . ARG A 1 551 ? 17.790 43.557 19.153 1.00 9.03 ? 509 ARG A N 1 -ATOM 3894 C CA . ARG A 1 551 ? 17.300 42.514 18.260 1.00 9.46 ? 509 ARG A CA 1 -ATOM 3895 C C . ARG A 1 551 ? 15.823 42.252 18.576 1.00 10.89 ? 509 ARG A C 1 -ATOM 3896 O O . ARG A 1 551 ? 15.423 42.481 19.721 1.00 10.52 ? 509 ARG A O 1 -ATOM 3897 C CB . ARG A 1 551 ? 18.035 41.178 18.433 1.00 8.45 ? 509 ARG A CB 1 -ATOM 3898 C CG . ARG A 1 551 ? 19.512 41.248 18.075 1.00 9.54 ? 509 ARG A CG 1 -ATOM 3899 C CD . ARG A 1 551 ? 20.193 39.879 18.211 1.00 15.05 ? 509 ARG A CD 1 -ATOM 3900 N NE . ARG A 1 551 ? 21.590 40.037 17.765 1.00 19.55 ? 509 ARG A NE 1 -ATOM 3901 C CZ . ARG A 1 551 ? 22.473 39.042 17.715 1.00 20.46 ? 509 ARG A CZ 1 -ATOM 3902 N NH1 . ARG A 1 551 ? 22.123 37.813 18.064 1.00 17.83 ? 509 ARG A NH1 1 -ATOM 3903 N NH2 . ARG A 1 551 ? 23.711 39.286 17.306 1.00 21.55 ? 509 ARG A NH2 1 -ATOM 3904 N N . SER A 1 552 ? 15.069 41.763 17.604 1.00 8.84 ? 510 SER A N 1 -ATOM 3905 C CA . SER A 1 552 ? 13.672 41.459 17.903 1.00 9.31 ? 510 SER A CA 1 -ATOM 3906 C C . SER A 1 552 ? 13.607 40.339 18.930 1.00 10.30 ? 510 SER A C 1 -ATOM 3907 O O . SER A 1 552 ? 14.465 39.451 18.947 1.00 9.83 ? 510 SER A O 1 -ATOM 3908 C CB . SER A 1 552 ? 12.915 41.013 16.651 1.00 11.27 ? 510 SER A CB 1 -ATOM 3909 O OG . SER A 1 552 ? 13.483 39.803 16.146 1.00 14.56 ? 510 SER A OG 1 -ATOM 3910 N N . ASP A 1 553 ? 12.518 40.299 19.705 1.00 9.17 ? 511 ASP A N 1 -ATOM 3911 C CA . ASP A 1 553 ? 12.335 39.180 20.641 1.00 8.77 ? 511 ASP A CA 1 -ATOM 3912 C C . ASP A 1 553 ? 12.285 37.866 19.867 1.00 9.65 ? 511 ASP A C 1 -ATOM 3913 O O . ASP A 1 553 ? 12.802 36.845 20.337 1.00 8.18 ? 511 ASP A O 1 -ATOM 3914 C CB . ASP A 1 553 ? 11.027 39.374 21.418 1.00 8.46 ? 511 ASP A CB 1 -ATOM 3915 C CG . ASP A 1 553 ? 11.049 40.636 22.254 1.00 8.33 ? 511 ASP A CG 1 -ATOM 3916 O OD1 . ASP A 1 553 ? 11.616 40.586 23.370 1.00 10.34 ? 511 ASP A OD1 1 -ATOM 3917 O OD2 . ASP A 1 553 ? 10.485 41.655 21.781 1.00 8.18 ? 511 ASP A OD2 1 -ATOM 3918 N N . TYR A 1 554 ? 11.715 37.877 18.658 1.00 6.72 ? 512 TYR A N 1 -ATOM 3919 C CA . TYR A 1 554 ? 11.658 36.682 17.826 1.00 8.50 ? 512 TYR A CA 1 -ATOM 3920 C C . TYR A 1 554 ? 13.055 36.129 17.562 1.00 9.27 ? 512 TYR A C 1 -ATOM 3921 O O . TYR A 1 554 ? 13.297 34.930 17.737 1.00 9.63 ? 512 TYR A O 1 -ATOM 3922 C CB . TYR A 1 554 ? 10.952 36.988 16.504 1.00 8.76 ? 512 TYR A CB 1 -ATOM 3923 C CG . TYR A 1 554 ? 10.879 35.806 15.549 1.00 11.74 ? 512 TYR A CG 1 -ATOM 3924 C CD1 . TYR A 1 554 ? 11.929 35.509 14.698 1.00 15.31 ? 512 TYR A CD1 1 -ATOM 3925 C CD2 . TYR A 1 554 ? 9.757 34.991 15.525 1.00 11.37 ? 512 TYR A CD2 1 -ATOM 3926 C CE1 . TYR A 1 554 ? 11.857 34.433 13.821 1.00 17.28 ? 512 TYR A CE1 1 -ATOM 3927 C CE2 . TYR A 1 554 ? 9.669 33.911 14.666 1.00 13.71 ? 512 TYR A CE2 1 -ATOM 3928 C CZ . TYR A 1 554 ? 10.728 33.639 13.817 1.00 16.76 ? 512 TYR A CZ 1 -ATOM 3929 O OH . TYR A 1 554 ? 10.641 32.571 12.954 1.00 17.41 ? 512 TYR A OH 1 -ATOM 3930 N N . ASP A 1 555 ? 13.983 36.990 17.146 1.00 9.89 ? 513 ASP A N 1 -ATOM 3931 C CA . ASP A 1 555 ? 15.346 36.577 16.842 1.00 9.82 ? 513 ASP A CA 1 -ATOM 3932 C C . ASP A 1 555 ? 16.093 36.044 18.062 1.00 11.45 ? 513 ASP A C 1 -ATOM 3933 O O . ASP A 1 555 ? 16.916 35.126 17.992 1.00 9.82 ? 513 ASP A O 1 -ATOM 3934 C CB . ASP A 1 555 ? 16.146 37.754 16.260 1.00 12.32 ? 513 ASP A CB 1 -ATOM 3935 C CG . ASP A 1 555 ? 15.788 38.049 14.812 1.00 19.14 ? 513 ASP A CG 1 -ATOM 3936 O OD1 . ASP A 1 555 ? 14.969 37.333 14.197 1.00 19.71 ? 513 ASP A OD1 1 -ATOM 3937 O OD2 . ASP A 1 555 ? 16.336 39.034 14.273 1.00 22.96 ? 513 ASP A OD2 1 -ATOM 3938 N N . ILE A 1 556 ? 15.839 36.689 19.200 1.00 9.24 ? 514 ILE A N 1 -ATOM 3939 C CA . ILE A 1 556 ? 16.438 36.295 20.462 1.00 9.75 ? 514 ILE A CA 1 -ATOM 3940 C C . ILE A 1 556 ? 15.943 34.906 20.847 1.00 9.41 ? 514 ILE A C 1 -ATOM 3941 O O . ILE A 1 556 ? 16.785 34.050 21.115 1.00 11.47 ? 514 ILE A O 1 -ATOM 3942 C CB . ILE A 1 556 ? 16.157 37.265 21.618 1.00 11.27 ? 514 ILE A CB 1 -ATOM 3943 C CG1 . ILE A 1 556 ? 16.841 38.617 21.377 1.00 12.18 ? 514 ILE A CG1 1 -ATOM 3944 C CG2 . ILE A 1 556 ? 16.648 36.647 22.930 1.00 11.68 ? 514 ILE A CG2 1 -ATOM 3945 C CD1 . ILE A 1 556 ? 16.247 39.743 22.214 1.00 13.49 ? 514 ILE A CD1 1 -ATOM 3946 N N . PHE A 1 557 ? 14.626 34.693 20.850 1.00 7.10 ? 515 PHE A N 1 -ATOM 3947 C CA . PHE A 1 557 ? 14.125 33.372 21.249 1.00 8.82 ? 515 PHE A CA 1 -ATOM 3948 C C . PHE A 1 557 ? 14.470 32.282 20.244 1.00 9.94 ? 515 PHE A C 1 -ATOM 3949 O O . PHE A 1 557 ? 14.661 31.115 20.623 1.00 12.68 ? 515 PHE A O 1 -ATOM 3950 C CB . PHE A 1 557 ? 12.603 33.431 21.465 1.00 8.12 ? 515 PHE A CB 1 -ATOM 3951 C CG . PHE A 1 557 ? 12.213 34.178 22.719 1.00 9.77 ? 515 PHE A CG 1 -ATOM 3952 C CD1 . PHE A 1 557 ? 12.775 33.856 23.947 1.00 11.36 ? 515 PHE A CD1 1 -ATOM 3953 C CD2 . PHE A 1 557 ? 11.282 35.200 22.663 1.00 12.00 ? 515 PHE A CD2 1 -ATOM 3954 C CE1 . PHE A 1 557 ? 12.420 34.548 25.093 1.00 11.55 ? 515 PHE A CE1 1 -ATOM 3955 C CE2 . PHE A 1 557 ? 10.915 35.895 23.799 1.00 11.32 ? 515 PHE A CE2 1 -ATOM 3956 C CZ . PHE A 1 557 ? 11.486 35.563 25.014 1.00 9.99 ? 515 PHE A CZ 1 -ATOM 3957 N N . ALA A 1 558 ? 14.574 32.619 18.968 1.00 11.40 ? 516 ALA A N 1 -ATOM 3958 C CA . ALA A 1 558 ? 14.961 31.634 17.952 1.00 12.38 ? 516 ALA A CA 1 -ATOM 3959 C C . ALA A 1 558 ? 16.380 31.143 18.227 1.00 11.92 ? 516 ALA A C 1 -ATOM 3960 O O . ALA A 1 558 ? 16.662 29.954 18.096 1.00 12.33 ? 516 ALA A O 1 -ATOM 3961 C CB . ALA A 1 558 ? 14.870 32.245 16.564 1.00 10.02 ? 516 ALA A CB 1 -ATOM 3962 N N . ALA A 1 559 ? 17.269 32.038 18.654 1.00 10.17 ? 517 ALA A N 1 -ATOM 3963 C CA . ALA A 1 559 ? 18.646 31.703 18.985 1.00 12.24 ? 517 ALA A CA 1 -ATOM 3964 C C . ALA A 1 559 ? 18.737 30.891 20.275 1.00 14.32 ? 517 ALA A C 1 -ATOM 3965 O O . ALA A 1 559 ? 19.586 29.994 20.385 1.00 13.31 ? 517 ALA A O 1 -ATOM 3966 C CB . ALA A 1 559 ? 19.492 32.964 19.091 1.00 10.33 ? 517 ALA A CB 1 -ATOM 3967 N N . VAL A 1 560 ? 17.858 31.173 21.242 1.00 10.82 ? 518 VAL A N 1 -ATOM 3968 C CA . VAL A 1 560 ? 17.847 30.356 22.461 1.00 11.62 ? 518 VAL A CA 1 -ATOM 3969 C C . VAL A 1 560 ? 17.305 28.974 22.134 1.00 10.40 ? 518 VAL A C 1 -ATOM 3970 O O . VAL A 1 560 ? 17.909 27.954 22.491 1.00 11.46 ? 518 VAL A O 1 -ATOM 3971 C CB . VAL A 1 560 ? 17.027 31.008 23.579 1.00 13.38 ? 518 VAL A CB 1 -ATOM 3972 C CG1 . VAL A 1 560 ? 16.893 30.070 24.775 1.00 13.32 ? 518 VAL A CG1 1 -ATOM 3973 C CG2 . VAL A 1 560 ? 17.669 32.328 23.987 1.00 13.91 ? 518 VAL A CG2 1 -ATOM 3974 N N . ALA A 1 561 ? 16.236 28.884 21.351 1.00 9.84 ? 519 ALA A N 1 -ATOM 3975 C CA . ALA A 1 561 ? 15.689 27.591 20.944 1.00 11.04 ? 519 ALA A CA 1 -ATOM 3976 C C . ALA A 1 561 ? 16.725 26.771 20.166 1.00 12.76 ? 519 ALA A C 1 -ATOM 3977 O O . ALA A 1 561 ? 16.794 25.553 20.328 1.00 11.98 ? 519 ALA A O 1 -ATOM 3978 C CB . ALA A 1 561 ? 14.431 27.741 20.105 1.00 13.63 ? 519 ALA A CB 1 -ATOM 3979 N N . GLU A 1 562 ? 17.549 27.433 19.355 1.00 12.62 ? 520 GLU A N 1 -ATOM 3980 C CA . GLU A 1 562 ? 18.595 26.727 18.619 1.00 18.29 ? 520 GLU A CA 1 -ATOM 3981 C C . GLU A 1 562 ? 19.584 26.062 19.565 1.00 17.87 ? 520 GLU A C 1 -ATOM 3982 O O . GLU A 1 562 ? 19.968 24.901 19.357 1.00 17.59 ? 520 GLU A O 1 -ATOM 3983 C CB . GLU A 1 562 ? 19.298 27.712 17.682 1.00 21.60 ? 520 GLU A CB 1 -ATOM 3984 C CG . GLU A 1 562 ? 20.228 27.058 16.685 1.00 33.42 ? 520 GLU A CG 1 -ATOM 3985 C CD . GLU A 1 562 ? 19.520 26.426 15.503 1.00 36.94 ? 520 GLU A CD 1 -ATOM 3986 O OE1 . GLU A 1 562 ? 18.406 26.836 15.115 1.00 39.49 ? 520 GLU A OE1 1 -ATOM 3987 O OE2 . GLU A 1 562 ? 20.109 25.487 14.927 1.00 40.39 ? 520 GLU A OE2 1 -ATOM 3988 N N . ARG A 1 563 ? 19.959 26.737 20.653 1.00 14.74 ? 521 ARG A N 1 -ATOM 3989 C CA . ARG A 1 563 ? 20.869 26.159 21.641 1.00 16.24 ? 521 ARG A CA 1 -ATOM 3990 C C . ARG A 1 563 ? 20.257 25.025 22.444 1.00 16.74 ? 521 ARG A C 1 -ATOM 3991 O O . ARG A 1 563 ? 20.986 24.218 23.047 1.00 18.65 ? 521 ARG A O 1 -ATOM 3992 C CB . ARG A 1 563 ? 21.437 27.234 22.576 1.00 13.82 ? 521 ARG A CB 1 -ATOM 3993 C CG . ARG A 1 563 ? 22.338 28.210 21.813 1.00 14.32 ? 521 ARG A CG 1 -ATOM 3994 C CD . ARG A 1 563 ? 22.387 29.557 22.532 1.00 15.41 ? 521 ARG A CD 1 -ATOM 3995 N NE . ARG A 1 563 ? 23.559 30.329 22.115 1.00 17.94 ? 521 ARG A NE 1 -ATOM 3996 C CZ . ARG A 1 563 ? 23.647 30.978 20.956 1.00 17.79 ? 521 ARG A CZ 1 -ATOM 3997 N NH1 . ARG A 1 563 ? 22.634 30.957 20.100 1.00 18.39 ? 521 ARG A NH1 1 -ATOM 3998 N NH2 . ARG A 1 563 ? 24.745 31.652 20.639 1.00 18.69 ? 521 ARG A NH2 1 -ATOM 3999 N N . LEU A 1 564 ? 18.938 24.900 22.475 1.00 13.80 ? 522 LEU A N 1 -ATOM 4000 C CA . LEU A 1 564 ? 18.248 23.809 23.131 1.00 14.42 ? 522 LEU A CA 1 -ATOM 4001 C C . LEU A 1 564 ? 18.032 22.632 22.179 1.00 16.19 ? 522 LEU A C 1 -ATOM 4002 O O . LEU A 1 564 ? 17.411 21.641 22.563 1.00 15.02 ? 522 LEU A O 1 -ATOM 4003 C CB . LEU A 1 564 ? 16.884 24.263 23.673 1.00 15.84 ? 522 LEU A CB 1 -ATOM 4004 C CG . LEU A 1 564 ? 16.934 25.337 24.763 1.00 20.55 ? 522 LEU A CG 1 -ATOM 4005 C CD1 . LEU A 1 564 ? 15.529 25.615 25.280 1.00 22.99 ? 522 LEU A CD1 1 -ATOM 4006 C CD2 . LEU A 1 564 ? 17.842 24.938 25.918 1.00 19.79 ? 522 LEU A CD2 1 -ATOM 4007 N N . GLY A 1 565 ? 18.502 22.744 20.944 1.00 14.63 ? 523 GLY A N 1 -ATOM 4008 C CA . GLY A 1 565 ? 18.354 21.719 19.925 1.00 18.26 ? 523 GLY A CA 1 -ATOM 4009 C C . GLY A 1 565 ? 16.999 21.748 19.243 1.00 19.72 ? 523 GLY A C 1 -ATOM 4010 O O . GLY A 1 565 ? 16.564 20.751 18.652 1.00 19.10 ? 523 GLY A O 1 -ATOM 4011 N N . LYS A 1 566 ? 16.272 22.866 19.342 1.00 18.59 ? 524 LYS A N 1 -ATOM 4012 C CA . LYS A 1 566 ? 14.910 22.960 18.832 1.00 19.65 ? 524 LYS A CA 1 -ATOM 4013 C C . LYS A 1 566 ? 14.657 24.148 17.908 1.00 19.44 ? 524 LYS A C 1 -ATOM 4014 O O . LYS A 1 566 ? 13.566 24.741 17.922 1.00 18.99 ? 524 LYS A O 1 -ATOM 4015 C CB . LYS A 1 566 ? 13.954 23.107 20.030 1.00 21.20 ? 524 LYS A CB 1 -ATOM 4016 C CG . LYS A 1 566 ? 14.088 22.104 21.159 1.00 25.40 ? 524 LYS A CG 1 -ATOM 4017 C CD . LYS A 1 566 ? 13.282 20.845 20.883 1.00 28.29 ? 524 LYS A CD 1 -ATOM 4018 C CE . LYS A 1 566 ? 13.499 19.793 21.960 1.00 30.91 ? 524 LYS A CE 1 -ATOM 4019 N NZ . LYS A 1 566 ? 12.326 19.691 22.874 1.00 36.46 ? 524 LYS A NZ 1 -ATOM 4020 N N . GLY A 1 567 ? 15.626 24.514 17.091 1.00 19.38 ? 525 GLY A N 1 -ATOM 4021 C CA . GLY A 1 567 ? 15.547 25.664 16.211 1.00 20.06 ? 525 GLY A CA 1 -ATOM 4022 C C . GLY A 1 567 ? 14.451 25.633 15.171 1.00 19.03 ? 525 GLY A C 1 -ATOM 4023 O O . GLY A 1 567 ? 13.641 26.563 15.068 1.00 19.92 ? 525 GLY A O 1 -ATOM 4024 N N . ALA A 1 568 ? 14.372 24.572 14.380 1.00 18.16 ? 526 ALA A N 1 -ATOM 4025 C CA . ALA A 1 568 ? 13.345 24.438 13.346 1.00 18.97 ? 526 ALA A CA 1 -ATOM 4026 C C . ALA A 1 568 ? 11.941 24.380 13.922 1.00 18.95 ? 526 ALA A C 1 -ATOM 4027 O O . ALA A 1 568 ? 10.966 24.858 13.333 1.00 20.96 ? 526 ALA A O 1 -ATOM 4028 C CB . ALA A 1 568 ? 13.620 23.186 12.518 1.00 23.93 ? 526 ALA A CB 1 -ATOM 4029 N N . GLU A 1 569 ? 11.801 23.788 15.109 1.00 16.46 ? 527 GLU A N 1 -ATOM 4030 C CA . GLU A 1 569 ? 10.517 23.715 15.792 1.00 17.89 ? 527 GLU A CA 1 -ATOM 4031 C C . GLU A 1 569 ? 10.037 25.130 16.138 1.00 16.49 ? 527 GLU A C 1 -ATOM 4032 O O . GLU A 1 569 ? 8.843 25.393 16.040 1.00 18.23 ? 527 GLU A O 1 -ATOM 4033 C CB . GLU A 1 569 ? 10.642 22.885 17.068 1.00 21.19 ? 527 GLU A CB 1 -ATOM 4034 C CG . GLU A 1 569 ? 10.776 21.386 16.851 1.00 23.74 ? 527 GLU A CG 1 -ATOM 4035 C CD . GLU A 1 569 ? 12.197 20.894 16.722 1.00 27.51 ? 527 GLU A CD 1 -ATOM 4036 O OE1 . GLU A 1 569 ? 13.104 21.631 16.281 1.00 24.72 ? 527 GLU A OE1 1 -ATOM 4037 O OE2 . GLU A 1 569 ? 12.429 19.709 17.069 1.00 33.49 ? 527 GLU A OE2 1 -ATOM 4038 N N . PHE A 1 570 ? 10.950 26.011 16.545 1.00 13.15 ? 528 PHE A N 1 -ATOM 4039 C CA . PHE A 1 570 ? 10.569 27.374 16.889 1.00 13.42 ? 528 PHE A CA 1 -ATOM 4040 C C . PHE A 1 570 ? 10.171 28.204 15.673 1.00 14.68 ? 528 PHE A C 1 -ATOM 4041 O O . PHE A 1 570 ? 9.099 28.828 15.645 1.00 15.07 ? 528 PHE A O 1 -ATOM 4042 C CB . PHE A 1 570 ? 11.712 28.094 17.640 1.00 12.48 ? 528 PHE A CB 1 -ATOM 4043 C CG . PHE A 1 570 ? 11.284 29.460 18.120 1.00 10.42 ? 528 PHE A CG 1 -ATOM 4044 C CD1 . PHE A 1 570 ? 10.645 29.617 19.337 1.00 12.08 ? 528 PHE A CD1 1 -ATOM 4045 C CD2 . PHE A 1 570 ? 11.524 30.582 17.340 1.00 10.88 ? 528 PHE A CD2 1 -ATOM 4046 C CE1 . PHE A 1 570 ? 10.240 30.870 19.769 1.00 10.48 ? 528 PHE A CE1 1 -ATOM 4047 C CE2 . PHE A 1 570 ? 11.126 31.835 17.765 1.00 11.77 ? 528 PHE A CE2 1 -ATOM 4048 C CZ . PHE A 1 570 ? 10.473 31.986 18.976 1.00 9.56 ? 528 PHE A CZ 1 -ATOM 4049 N N . THR A 1 571 ? 11.012 28.202 14.642 1.00 12.47 ? 529 THR A N 1 -ATOM 4050 C CA . THR A 1 571 ? 10.777 29.038 13.478 1.00 13.80 ? 529 THR A CA 1 -ATOM 4051 C C . THR A 1 571 ? 9.804 28.479 12.453 1.00 17.76 ? 529 THR A C 1 -ATOM 4052 O O . THR A 1 571 ? 9.333 29.225 11.586 1.00 15.83 ? 529 THR A O 1 -ATOM 4053 C CB . THR A 1 571 ? 12.107 29.319 12.733 1.00 16.62 ? 529 THR A CB 1 -ATOM 4054 O OG1 . THR A 1 571 ? 12.622 28.067 12.248 1.00 17.13 ? 529 THR A OG1 1 -ATOM 4055 C CG2 . THR A 1 571 ? 13.139 29.959 13.644 1.00 16.58 ? 529 THR A CG2 1 -ATOM 4056 N N . GLU A 1 572 ? 9.626 27.164 12.399 1.00 17.29 ? 530 GLU A N 1 -ATOM 4057 C CA . GLU A 1 572 ? 8.802 26.513 11.390 1.00 22.60 ? 530 GLU A CA 1 -ATOM 4058 C C . GLU A 1 572 ? 9.359 26.695 9.989 1.00 21.51 ? 530 GLU A C 1 -ATOM 4059 O O . GLU A 1 572 ? 8.628 26.602 9.001 1.00 24.44 ? 530 GLU A O 1 -ATOM 4060 C CB . GLU A 1 572 ? 7.353 27.009 11.458 1.00 27.37 ? 530 GLU A CB 1 -ATOM 4061 C CG . GLU A 1 572 ? 6.299 26.108 10.838 1.00 37.20 ? 530 GLU A CG 1 -ATOM 4062 C CD . GLU A 1 572 ? 6.601 24.633 11.024 1.00 41.36 ? 530 GLU A CD 1 -ATOM 4063 O OE1 . GLU A 1 572 ? 6.520 24.170 12.180 1.00 46.11 ? 530 GLU A OE1 1 -ATOM 4064 O OE2 . GLU A 1 572 ? 6.946 23.954 10.034 1.00 45.90 ? 530 GLU A OE2 1 -ATOM 4065 N N . GLY A 1 573 ? 10.638 27.012 9.840 1.00 23.46 ? 531 GLY A N 1 -ATOM 4066 C CA . GLY A 1 573 ? 11.283 27.269 8.576 1.00 25.83 ? 531 GLY A CA 1 -ATOM 4067 C C . GLY A 1 573 ? 10.844 28.557 7.899 1.00 27.25 ? 531 GLY A C 1 -ATOM 4068 O O . GLY A 1 573 ? 11.164 28.755 6.722 1.00 29.94 ? 531 GLY A O 1 -ATOM 4069 N N . LYS A 1 574 ? 10.142 29.446 8.590 1.00 24.82 ? 532 LYS A N 1 -ATOM 4070 C CA . LYS A 1 574 ? 9.657 30.694 8.030 1.00 23.03 ? 532 LYS A CA 1 -ATOM 4071 C C . LYS A 1 574 ? 10.459 31.890 8.533 1.00 23.02 ? 532 LYS A C 1 -ATOM 4072 O O . LYS A 1 574 ? 10.955 31.882 9.660 1.00 24.60 ? 532 LYS A O 1 -ATOM 4073 C CB . LYS A 1 574 ? 8.191 30.929 8.423 1.00 23.45 ? 532 LYS A CB 1 -ATOM 4074 C CG . LYS A 1 574 ? 7.197 30.071 7.666 1.00 24.36 ? 532 LYS A CG 1 -ATOM 4075 C CD . LYS A 1 574 ? 5.799 30.228 8.249 1.00 28.81 ? 532 LYS A CD 1 -ATOM 4076 C CE . LYS A 1 574 ? 4.943 29.013 7.938 1.00 34.13 ? 532 LYS A CE 1 -ATOM 4077 N NZ . LYS A 1 574 ? 3.516 29.393 7.738 1.00 38.56 ? 532 LYS A NZ 1 -ATOM 4078 N N . ASP A 1 575 ? 10.520 32.937 7.714 1.00 21.27 ? 533 ASP A N 1 -ATOM 4079 C CA . ASP A 1 575 ? 11.209 34.158 8.134 1.00 17.17 ? 533 ASP A CA 1 -ATOM 4080 C C . ASP A 1 575 ? 10.142 35.218 8.394 1.00 15.73 ? 533 ASP A C 1 -ATOM 4081 O O . ASP A 1 575 ? 8.949 34.922 8.258 1.00 14.15 ? 533 ASP A O 1 -ATOM 4082 C CB . ASP A 1 575 ? 12.252 34.604 7.126 1.00 21.37 ? 533 ASP A CB 1 -ATOM 4083 C CG . ASP A 1 575 ? 11.706 35.036 5.785 1.00 25.71 ? 533 ASP A CG 1 -ATOM 4084 O OD1 . ASP A 1 575 ? 10.503 34.866 5.504 1.00 26.39 ? 533 ASP A OD1 1 -ATOM 4085 O OD2 . ASP A 1 575 ? 12.496 35.568 4.970 1.00 30.19 ? 533 ASP A OD2 1 -ATOM 4086 N N . GLU A 1 576 ? 10.528 36.433 8.761 1.00 14.49 ? 534 GLU A N 1 -ATOM 4087 C CA . GLU A 1 576 ? 9.551 37.468 9.079 1.00 15.10 ? 534 GLU A CA 1 -ATOM 4088 C C . GLU A 1 576 ? 8.421 37.611 8.077 1.00 14.49 ? 534 GLU A C 1 -ATOM 4089 O O . GLU A 1 576 ? 7.235 37.501 8.434 1.00 12.98 ? 534 GLU A O 1 -ATOM 4090 C CB . GLU A 1 576 ? 10.277 38.815 9.237 1.00 15.73 ? 534 GLU A CB 1 -ATOM 4091 C CG . GLU A 1 576 ? 9.352 39.931 9.696 1.00 15.03 ? 534 GLU A CG 1 -ATOM 4092 C CD . GLU A 1 576 ? 10.117 41.235 9.845 1.00 14.13 ? 534 GLU A CD 1 -ATOM 4093 O OE1 . GLU A 1 576 ? 10.615 41.778 8.845 1.00 12.86 ? 534 GLU A OE1 1 -ATOM 4094 O OE2 . GLU A 1 576 ? 10.257 41.703 10.988 1.00 11.94 ? 534 GLU A OE2 1 -ATOM 4095 N N . MET A 1 577 ? 8.740 37.871 6.804 1.00 13.89 ? 535 MET A N 1 -ATOM 4096 C CA . MET A 1 577 ? 7.693 38.087 5.808 1.00 14.50 ? 535 MET A CA 1 -ATOM 4097 C C . MET A 1 577 ? 6.897 36.823 5.500 1.00 15.04 ? 535 MET A C 1 -ATOM 4098 O O . MET A 1 577 ? 5.719 36.952 5.148 1.00 13.07 ? 535 MET A O 1 -ATOM 4099 C CB . MET A 1 577 ? 8.220 38.727 4.528 1.00 18.17 ? 535 MET A CB 1 -ATOM 4100 C CG . MET A 1 577 ? 8.764 40.138 4.656 1.00 20.74 ? 535 MET A CG 1 -ATOM 4101 S SD . MET A 1 577 ? 7.682 41.370 5.412 1.00 27.73 ? 535 MET A SD 1 -ATOM 4102 C CE . MET A 1 577 ? 6.163 41.082 4.521 1.00 20.96 ? 535 MET A CE 1 -ATOM 4103 N N . GLY A 1 578 ? 7.484 35.646 5.644 1.00 15.42 ? 536 GLY A N 1 -ATOM 4104 C CA . GLY A 1 578 ? 6.786 34.386 5.434 1.00 15.22 ? 536 GLY A CA 1 -ATOM 4105 C C . GLY A 1 578 ? 5.689 34.194 6.483 1.00 14.51 ? 536 GLY A C 1 -ATOM 4106 O O . GLY A 1 578 ? 4.580 33.769 6.161 1.00 16.25 ? 536 GLY A O 1 -ATOM 4107 N N . TRP A 1 579 ? 6.008 34.493 7.744 1.00 11.61 ? 537 TRP A N 1 -ATOM 4108 C CA . TRP A 1 579 ? 5.023 34.421 8.817 1.00 9.21 ? 537 TRP A CA 1 -ATOM 4109 C C . TRP A 1 579 ? 3.893 35.413 8.550 1.00 10.43 ? 537 TRP A C 1 -ATOM 4110 O O . TRP A 1 579 ? 2.721 35.044 8.546 1.00 10.67 ? 537 TRP A O 1 -ATOM 4111 C CB . TRP A 1 579 ? 5.666 34.727 10.168 1.00 9.80 ? 537 TRP A CB 1 -ATOM 4112 C CG . TRP A 1 579 ? 6.351 33.585 10.854 1.00 10.36 ? 537 TRP A CG 1 -ATOM 4113 C CD1 . TRP A 1 579 ? 7.683 33.447 11.108 1.00 10.75 ? 537 TRP A CD1 1 -ATOM 4114 C CD2 . TRP A 1 579 ? 5.713 32.432 11.415 1.00 11.96 ? 537 TRP A CD2 1 -ATOM 4115 N NE1 . TRP A 1 579 ? 7.916 32.265 11.784 1.00 11.72 ? 537 TRP A NE1 1 -ATOM 4116 C CE2 . TRP A 1 579 ? 6.717 31.624 11.976 1.00 13.76 ? 537 TRP A CE2 1 -ATOM 4117 C CE3 . TRP A 1 579 ? 4.381 31.999 11.469 1.00 15.50 ? 537 TRP A CE3 1 -ATOM 4118 C CZ2 . TRP A 1 579 ? 6.430 30.414 12.598 1.00 15.83 ? 537 TRP A CZ2 1 -ATOM 4119 C CZ3 . TRP A 1 579 ? 4.098 30.789 12.088 1.00 18.64 ? 537 TRP A CZ3 1 -ATOM 4120 C CH2 . TRP A 1 579 ? 5.126 30.009 12.644 1.00 17.57 ? 537 TRP A CH2 1 -ATOM 4121 N N . ILE A 1 580 ? 4.251 36.677 8.288 1.00 9.79 ? 538 ILE A N 1 -ATOM 4122 C CA . ILE A 1 580 ? 3.264 37.723 8.031 1.00 10.81 ? 538 ILE A CA 1 -ATOM 4123 C C . ILE A 1 580 ? 2.346 37.390 6.864 1.00 13.90 ? 538 ILE A C 1 -ATOM 4124 O O . ILE A 1 580 ? 1.125 37.554 6.974 1.00 12.17 ? 538 ILE A O 1 -ATOM 4125 C CB . ILE A 1 580 ? 3.939 39.080 7.770 1.00 12.02 ? 538 ILE A CB 1 -ATOM 4126 C CG1 . ILE A 1 580 ? 4.563 39.590 9.087 1.00 11.92 ? 538 ILE A CG1 1 -ATOM 4127 C CG2 . ILE A 1 580 ? 2.969 40.131 7.243 1.00 12.60 ? 538 ILE A CG2 1 -ATOM 4128 C CD1 . ILE A 1 580 ? 5.529 40.732 8.850 1.00 12.17 ? 538 ILE A CD1 1 -ATOM 4129 N N . LYS A 1 581 ? 2.931 36.896 5.762 1.00 9.89 ? 539 LYS A N 1 -ATOM 4130 C CA . LYS A 1 581 ? 2.082 36.533 4.621 1.00 11.09 ? 539 LYS A CA 1 -ATOM 4131 C C . LYS A 1 581 ? 1.133 35.407 4.964 1.00 11.94 ? 539 LYS A C 1 -ATOM 4132 O O . LYS A 1 581 ? -0.036 35.449 4.565 1.00 12.16 ? 539 LYS A O 1 -ATOM 4133 C CB . LYS A 1 581 ? 2.939 36.150 3.405 1.00 12.23 ? 539 LYS A CB 1 -ATOM 4134 C CG . LYS A 1 581 ? 2.086 35.681 2.224 1.00 13.87 ? 539 LYS A CG 1 -ATOM 4135 C CD . LYS A 1 581 ? 2.950 35.695 0.955 1.00 17.47 ? 539 LYS A CD 1 -ATOM 4136 C CE . LYS A 1 581 ? 2.059 35.584 -0.280 1.00 17.99 ? 539 LYS A CE 1 -ATOM 4137 N NZ . LYS A 1 581 ? 1.452 34.230 -0.383 1.00 17.51 ? 539 LYS A NZ 1 -ATOM 4138 N N . SER A 1 582 ? 1.574 34.401 5.720 1.00 12.57 ? 540 SER A N 1 -ATOM 4139 C CA . SER A 1 582 ? 0.707 33.291 6.106 1.00 13.24 ? 540 SER A CA 1 -ATOM 4140 C C . SER A 1 582 ? -0.483 33.732 6.948 1.00 15.54 ? 540 SER A C 1 -ATOM 4141 O O . SER A 1 582 ? -1.582 33.168 6.811 1.00 16.03 ? 540 SER A O 1 -ATOM 4142 C CB . SER A 1 582 ? 1.511 32.193 6.807 1.00 16.63 ? 540 SER A CB 1 -ATOM 4143 O OG . SER A 1 582 ? 1.802 32.545 8.152 1.00 21.28 ? 540 SER A OG 1 -ATOM 4144 N N . PHE A 1 583 ? -0.327 34.745 7.807 1.00 12.61 ? 541 PHE A N 1 -ATOM 4145 C CA . PHE A 1 583 ? -1.470 35.233 8.586 1.00 11.98 ? 541 PHE A CA 1 -ATOM 4146 C C . PHE A 1 583 ? -2.460 35.972 7.687 1.00 10.98 ? 541 PHE A C 1 -ATOM 4147 O O . PHE A 1 583 ? -3.683 35.827 7.813 1.00 12.04 ? 541 PHE A O 1 -ATOM 4148 C CB . PHE A 1 583 ? -1.033 36.150 9.725 1.00 8.81 ? 541 PHE A CB 1 -ATOM 4149 C CG . PHE A 1 583 ? 0.029 35.601 10.639 1.00 13.01 ? 541 PHE A CG 1 -ATOM 4150 C CD1 . PHE A 1 583 ? 0.070 34.257 10.964 1.00 13.29 ? 541 PHE A CD1 1 -ATOM 4151 C CD2 . PHE A 1 583 ? 0.996 36.449 11.171 1.00 11.64 ? 541 PHE A CD2 1 -ATOM 4152 C CE1 . PHE A 1 583 ? 1.050 33.746 11.793 1.00 12.89 ? 541 PHE A CE1 1 -ATOM 4153 C CE2 . PHE A 1 583 ? 1.986 35.945 12.000 1.00 12.57 ? 541 PHE A CE2 1 -ATOM 4154 C CZ . PHE A 1 583 ? 2.009 34.601 12.311 1.00 13.76 ? 541 PHE A CZ 1 -ATOM 4155 N N . TYR A 1 584 ? -1.925 36.804 6.795 1.00 11.49 ? 542 TYR A N 1 -ATOM 4156 C CA . TYR A 1 584 ? -2.751 37.569 5.869 1.00 10.61 ? 542 TYR A CA 1 -ATOM 4157 C C . TYR A 1 584 ? -3.543 36.628 4.970 1.00 12.58 ? 542 TYR A C 1 -ATOM 4158 O O . TYR A 1 584 ? -4.756 36.725 4.779 1.00 13.33 ? 542 TYR A O 1 -ATOM 4159 C CB . TYR A 1 584 ? -1.894 38.524 4.996 1.00 11.03 ? 542 TYR A CB 1 -ATOM 4160 C CG . TYR A 1 584 ? -2.835 39.292 4.075 1.00 11.26 ? 542 TYR A CG 1 -ATOM 4161 C CD1 . TYR A 1 584 ? -3.473 40.441 4.508 1.00 10.29 ? 542 TYR A CD1 1 -ATOM 4162 C CD2 . TYR A 1 584 ? -3.103 38.821 2.798 1.00 12.51 ? 542 TYR A CD2 1 -ATOM 4163 C CE1 . TYR A 1 584 ? -4.349 41.131 3.683 1.00 10.90 ? 542 TYR A CE1 1 -ATOM 4164 C CE2 . TYR A 1 584 ? -3.984 39.493 1.964 1.00 12.28 ? 542 TYR A CE2 1 -ATOM 4165 C CZ . TYR A 1 584 ? -4.600 40.638 2.413 1.00 14.15 ? 542 TYR A CZ 1 -ATOM 4166 O OH . TYR A 1 584 ? -5.480 41.306 1.590 1.00 14.48 ? 542 TYR A OH 1 -ATOM 4167 N N . ASP A 1 585 ? -2.845 35.664 4.376 1.00 15.31 ? 543 ASP A N 1 -ATOM 4168 C CA . ASP A 1 585 ? -3.452 34.702 3.466 1.00 18.51 ? 543 ASP A CA 1 -ATOM 4169 C C . ASP A 1 585 ? -4.579 33.926 4.124 1.00 18.99 ? 543 ASP A C 1 -ATOM 4170 O O . ASP A 1 585 ? -5.597 33.663 3.479 1.00 19.39 ? 543 ASP A O 1 -ATOM 4171 C CB . ASP A 1 585 ? -2.368 33.780 2.899 1.00 18.88 ? 543 ASP A CB 1 -ATOM 4172 C CG . ASP A 1 585 ? -1.592 34.423 1.767 1.00 19.87 ? 543 ASP A CG 1 -ATOM 4173 O OD1 . ASP A 1 585 ? -1.869 35.576 1.371 1.00 20.56 ? 543 ASP A OD1 1 -ATOM 4174 O OD2 . ASP A 1 585 ? -0.660 33.765 1.255 1.00 23.53 ? 543 ASP A OD2 1 -ATOM 4175 N N . ASP A 1 586 ? -4.432 33.568 5.401 1.00 18.44 ? 544 ASP A N 1 -ATOM 4176 C CA . ASP A 1 586 ? -5.466 32.872 6.143 1.00 21.26 ? 544 ASP A CA 1 -ATOM 4177 C C . ASP A 1 586 ? -6.687 33.768 6.343 1.00 20.38 ? 544 ASP A C 1 -ATOM 4178 O O . ASP A 1 586 ? -7.828 33.329 6.189 1.00 18.31 ? 544 ASP A O 1 -ATOM 4179 C CB . ASP A 1 586 ? -4.952 32.413 7.509 1.00 27.34 ? 544 ASP A CB 1 -ATOM 4180 C CG . ASP A 1 586 ? -4.170 31.119 7.487 1.00 34.32 ? 544 ASP A CG 1 -ATOM 4181 O OD1 . ASP A 1 586 ? -3.756 30.640 6.412 1.00 38.82 ? 544 ASP A OD1 1 -ATOM 4182 O OD2 . ASP A 1 586 ? -3.954 30.539 8.575 1.00 39.03 ? 544 ASP A OD2 1 -ATOM 4183 N N . ALA A 1 587 ? -6.452 35.047 6.662 1.00 16.69 ? 545 ALA A N 1 -ATOM 4184 C CA . ALA A 1 587 ? -7.573 35.973 6.819 1.00 17.07 ? 545 ALA A CA 1 -ATOM 4185 C C . ALA A 1 587 ? -8.301 36.162 5.490 1.00 17.63 ? 545 ALA A C 1 -ATOM 4186 O O . ALA A 1 587 ? -9.537 36.162 5.459 1.00 16.39 ? 545 ALA A O 1 -ATOM 4187 C CB . ALA A 1 587 ? -7.092 37.306 7.364 1.00 16.04 ? 545 ALA A CB 1 -ATOM 4188 N N . ALA A 1 588 ? -7.554 36.303 4.396 1.00 14.80 ? 546 ALA A N 1 -ATOM 4189 C CA . ALA A 1 588 ? -8.143 36.496 3.078 1.00 18.16 ? 546 ALA A CA 1 -ATOM 4190 C C . ALA A 1 588 ? -8.999 35.302 2.661 1.00 20.12 ? 546 ALA A C 1 -ATOM 4191 O O . ALA A 1 588 ? -10.061 35.475 2.054 1.00 20.12 ? 546 ALA A O 1 -ATOM 4192 C CB . ALA A 1 588 ? -7.072 36.736 2.020 1.00 18.35 ? 546 ALA A CB 1 -ATOM 4193 N N . LYS A 1 589 ? -8.538 34.099 2.979 1.00 21.07 ? 547 LYS A N 1 -ATOM 4194 C CA . LYS A 1 589 ? -9.309 32.890 2.670 1.00 26.86 ? 547 LYS A CA 1 -ATOM 4195 C C . LYS A 1 589 ? -10.608 32.892 3.457 1.00 27.28 ? 547 LYS A C 1 -ATOM 4196 O O . LYS A 1 589 ? -11.682 32.598 2.924 1.00 27.31 ? 547 LYS A O 1 -ATOM 4197 C CB . LYS A 1 589 ? -8.430 31.674 2.912 1.00 30.97 ? 547 LYS A CB 1 -ATOM 4198 C CG . LYS A 1 589 ? -9.091 30.400 3.381 1.00 38.07 ? 547 LYS A CG 1 -ATOM 4199 C CD . LYS A 1 589 ? -8.044 29.330 3.677 1.00 42.22 ? 547 LYS A CD 1 -ATOM 4200 C CE . LYS A 1 589 ? -7.907 28.369 2.508 1.00 46.26 ? 547 LYS A CE 1 -ATOM 4201 N NZ . LYS A 1 589 ? -7.414 29.057 1.280 1.00 48.25 ? 547 LYS A NZ 1 -ATOM 4202 N N . GLN A 1 590 ? -10.573 33.299 4.720 1.00 27.52 ? 548 GLN A N 1 -ATOM 4203 C CA . GLN A 1 590 ? -11.752 33.402 5.565 1.00 28.72 ? 548 GLN A CA 1 -ATOM 4204 C C . GLN A 1 590 ? -12.675 34.507 5.075 1.00 28.57 ? 548 GLN A C 1 -ATOM 4205 O O . GLN A 1 590 ? -13.896 34.334 5.022 1.00 28.94 ? 548 GLN A O 1 -ATOM 4206 C CB . GLN A 1 590 ? -11.344 33.610 7.024 1.00 34.22 ? 548 GLN A CB 1 -ATOM 4207 C CG . GLN A 1 590 ? -12.427 34.139 7.940 1.00 40.58 ? 548 GLN A CG 1 -ATOM 4208 C CD . GLN A 1 590 ? -11.945 34.527 9.323 1.00 44.20 ? 548 GLN A CD 1 -ATOM 4209 O OE1 . GLN A 1 590 ? -12.734 34.675 10.264 1.00 45.49 ? 548 GLN A OE1 1 -ATOM 4210 N NE2 . GLN A 1 590 ? -10.636 34.716 9.481 1.00 46.39 ? 548 GLN A NE2 1 -ATOM 4211 N N . GLY A 1 591 ? -12.116 35.636 4.645 1.00 25.22 ? 549 GLY A N 1 -ATOM 4212 C CA . GLY A 1 591 ? -12.907 36.735 4.114 1.00 29.07 ? 549 GLY A CA 1 -ATOM 4213 C C . GLY A 1 591 ? -13.633 36.302 2.841 1.00 32.55 ? 549 GLY A C 1 -ATOM 4214 O O . GLY A 1 591 ? -14.814 36.593 2.649 1.00 32.26 ? 549 GLY A O 1 -ATOM 4215 N N . LYS A 1 592 ? -12.919 35.622 1.953 1.00 35.90 ? 550 LYS A N 1 -ATOM 4216 C CA . LYS A 1 592 ? -13.468 35.120 0.700 1.00 40.93 ? 550 LYS A CA 1 -ATOM 4217 C C . LYS A 1 592 ? -14.754 34.335 0.932 1.00 42.14 ? 550 LYS A C 1 -ATOM 4218 O O . LYS A 1 592 ? -15.798 34.626 0.349 1.00 44.36 ? 550 LYS A O 1 -ATOM 4219 C CB . LYS A 1 592 ? -12.448 34.209 0.008 1.00 42.48 ? 550 LYS A CB 1 -ATOM 4220 C CG . LYS A 1 592 ? -11.938 34.697 -1.334 1.00 44.56 ? 550 LYS A CG 1 -ATOM 4221 C CD . LYS A 1 592 ? -11.773 33.532 -2.302 1.00 45.88 ? 550 LYS A CD 1 -ATOM 4222 C CE . LYS A 1 592 ? -10.555 33.704 -3.196 1.00 47.87 ? 550 LYS A CE 1 -ATOM 4223 N NZ . LYS A 1 592 ? -10.513 32.674 -4.276 1.00 47.01 ? 550 LYS A NZ 1 -ATOM 4224 N N . ALA A 1 593 ? -14.705 33.356 1.832 1.00 42.61 ? 551 ALA A N 1 -ATOM 4225 C CA . ALA A 1 593 ? -15.855 32.536 2.174 1.00 43.25 ? 551 ALA A CA 1 -ATOM 4226 C C . ALA A 1 593 ? -17.035 33.357 2.674 1.00 43.49 ? 551 ALA A C 1 -ATOM 4227 O O . ALA A 1 593 ? -18.187 33.045 2.361 1.00 46.56 ? 551 ALA A O 1 -ATOM 4228 C CB . ALA A 1 593 ? -15.469 31.490 3.214 1.00 43.40 ? 551 ALA A CB 1 -ATOM 4229 N N . ALA A 1 594 ? -16.790 34.420 3.427 1.00 40.73 ? 552 ALA A N 1 -ATOM 4230 C CA . ALA A 1 594 ? -17.827 35.286 3.956 1.00 37.70 ? 552 ALA A CA 1 -ATOM 4231 C C . ALA A 1 594 ? -18.273 36.381 3.000 1.00 36.01 ? 552 ALA A C 1 -ATOM 4232 O O . ALA A 1 594 ? -19.113 37.206 3.378 1.00 37.35 ? 552 ALA A O 1 -ATOM 4233 C CB . ALA A 1 594 ? -17.331 35.916 5.259 1.00 37.21 ? 552 ALA A CB 1 -ATOM 4234 N N . GLY A 1 595 ? -17.715 36.473 1.799 1.00 34.34 ? 553 GLY A N 1 -ATOM 4235 C CA . GLY A 1 595 ? -18.117 37.487 0.841 1.00 32.48 ? 553 GLY A CA 1 -ATOM 4236 C C . GLY A 1 595 ? -17.421 38.826 0.970 1.00 33.58 ? 553 GLY A C 1 -ATOM 4237 O O . GLY A 1 595 ? -17.875 39.808 0.370 1.00 32.67 ? 553 GLY A O 1 -ATOM 4238 N N . VAL A 1 596 ? -16.325 38.899 1.719 1.00 30.15 ? 554 VAL A N 1 -ATOM 4239 C CA . VAL A 1 596 ? -15.566 40.140 1.855 1.00 30.30 ? 554 VAL A CA 1 -ATOM 4240 C C . VAL A 1 596 ? -14.335 40.023 0.953 1.00 29.22 ? 554 VAL A C 1 -ATOM 4241 O O . VAL A 1 596 ? -13.515 39.131 1.173 1.00 29.75 ? 554 VAL A O 1 -ATOM 4242 C CB . VAL A 1 596 ? -15.116 40.401 3.300 1.00 30.12 ? 554 VAL A CB 1 -ATOM 4243 C CG1 . VAL A 1 596 ? -13.922 41.345 3.341 1.00 31.07 ? 554 VAL A CG1 1 -ATOM 4244 C CG2 . VAL A 1 596 ? -16.256 40.973 4.130 1.00 32.01 ? 554 VAL A CG2 1 -ATOM 4245 N N . GLN A 1 597 ? -14.224 40.864 -0.060 1.00 30.22 ? 555 GLN A N 1 -ATOM 4246 C CA . GLN A 1 597 ? -13.087 40.747 -0.978 1.00 31.74 ? 555 GLN A CA 1 -ATOM 4247 C C . GLN A 1 597 ? -11.858 41.456 -0.427 1.00 28.66 ? 555 GLN A C 1 -ATOM 4248 O O . GLN A 1 597 ? -11.922 42.559 0.119 1.00 29.73 ? 555 GLN A O 1 -ATOM 4249 C CB . GLN A 1 597 ? -13.466 41.267 -2.364 1.00 34.49 ? 555 GLN A CB 1 -ATOM 4250 C CG . GLN A 1 597 ? -14.465 40.379 -3.092 1.00 37.27 ? 555 GLN A CG 1 -ATOM 4251 C CD . GLN A 1 597 ? -15.265 41.120 -4.145 1.00 38.86 ? 555 GLN A CD 1 -ATOM 4252 O OE1 . GLN A 1 597 ? -14.842 42.145 -4.675 1.00 39.21 ? 555 GLN A OE1 1 -ATOM 4253 N NE2 . GLN A 1 597 ? -16.446 40.606 -4.473 1.00 40.47 ? 555 GLN A NE2 1 -ATOM 4254 N N . MET A 1 598 ? -10.726 40.764 -0.508 1.00 25.22 ? 556 MET A N 1 -ATOM 4255 C CA . MET A 1 598 ? -9.450 41.282 -0.031 1.00 19.29 ? 556 MET A CA 1 -ATOM 4256 C C . MET A 1 598 ? -8.401 41.111 -1.128 1.00 18.38 ? 556 MET A C 1 -ATOM 4257 O O . MET A 1 598 ? -8.398 40.111 -1.841 1.00 18.86 ? 556 MET A O 1 -ATOM 4258 C CB . MET A 1 598 ? -9.028 40.556 1.249 1.00 18.57 ? 556 MET A CB 1 -ATOM 4259 C CG . MET A 1 598 ? -9.830 41.023 2.474 1.00 18.14 ? 556 MET A CG 1 -ATOM 4260 S SD . MET A 1 598 ? -9.642 39.887 3.851 1.00 22.38 ? 556 MET A SD 1 -ATOM 4261 C CE . MET A 1 598 ? -8.001 40.305 4.410 1.00 22.41 ? 556 MET A CE 1 -ATOM 4262 N N . PRO A 1 599 ? -7.527 42.095 -1.277 1.00 18.30 ? 557 PRO A N 1 -ATOM 4263 C CA . PRO A 1 599 ? -6.483 42.060 -2.294 1.00 17.47 ? 557 PRO A CA 1 -ATOM 4264 C C . PRO A 1 599 ? -5.475 40.955 -2.044 1.00 17.63 ? 557 PRO A C 1 -ATOM 4265 O O . PRO A 1 599 ? -5.443 40.416 -0.935 1.00 17.29 ? 557 PRO A O 1 -ATOM 4266 C CB . PRO A 1 599 ? -5.836 43.434 -2.196 1.00 16.68 ? 557 PRO A CB 1 -ATOM 4267 C CG . PRO A 1 599 ? -6.306 44.081 -0.959 1.00 19.75 ? 557 PRO A CG 1 -ATOM 4268 C CD . PRO A 1 599 ? -7.506 43.333 -0.464 1.00 18.58 ? 557 PRO A CD 1 -ATOM 4269 N N . ALA A 1 600 ? -4.619 40.637 -3.014 1.00 17.88 ? 558 ALA A N 1 -ATOM 4270 C CA . ALA A 1 600 ? -3.554 39.661 -2.783 1.00 18.24 ? 558 ALA A CA 1 -ATOM 4271 C C . ALA A 1 600 ? -2.544 40.291 -1.823 1.00 15.23 ? 558 ALA A C 1 -ATOM 4272 O O . ALA A 1 600 ? -2.528 41.518 -1.718 1.00 13.81 ? 558 ALA A O 1 -ATOM 4273 C CB . ALA A 1 600 ? -2.869 39.267 -4.078 1.00 19.96 ? 558 ALA A CB 1 -ATOM 4274 N N . PHE A 1 601 ? -1.736 39.506 -1.132 1.00 14.39 ? 559 PHE A N 1 -ATOM 4275 C CA . PHE A 1 601 ? -0.768 40.016 -0.176 1.00 14.75 ? 559 PHE A CA 1 -ATOM 4276 C C . PHE A 1 601 ? 0.098 41.179 -0.628 1.00 14.82 ? 559 PHE A C 1 -ATOM 4277 O O . PHE A 1 601 ? 0.135 42.205 0.068 1.00 12.62 ? 559 PHE A O 1 -ATOM 4278 C CB . PHE A 1 601 ? 0.175 38.886 0.311 1.00 14.85 ? 559 PHE A CB 1 -ATOM 4279 C CG . PHE A 1 601 ? 1.108 39.417 1.376 1.00 14.36 ? 559 PHE A CG 1 -ATOM 4280 C CD1 . PHE A 1 601 ? 0.612 39.769 2.616 1.00 12.43 ? 559 PHE A CD1 1 -ATOM 4281 C CD2 . PHE A 1 601 ? 2.455 39.584 1.120 1.00 15.52 ? 559 PHE A CD2 1 -ATOM 4282 C CE1 . PHE A 1 601 ? 1.448 40.263 3.598 1.00 11.73 ? 559 PHE A CE1 1 -ATOM 4283 C CE2 . PHE A 1 601 ? 3.302 40.080 2.096 1.00 18.72 ? 559 PHE A CE2 1 -ATOM 4284 C CZ . PHE A 1 601 ? 2.790 40.419 3.337 1.00 12.81 ? 559 PHE A CZ 1 -ATOM 4285 N N . ASP A 1 602 ? 0.787 41.106 -1.777 1.00 14.98 ? 560 ASP A N 1 -ATOM 4286 C CA . ASP A 1 602 ? 1.631 42.223 -2.190 1.00 14.27 ? 560 ASP A CA 1 -ATOM 4287 C C . ASP A 1 602 ? 0.812 43.472 -2.496 1.00 13.09 ? 560 ASP A C 1 -ATOM 4288 O O . ASP A 1 602 ? 1.332 44.574 -2.315 1.00 14.15 ? 560 ASP A O 1 -ATOM 4289 C CB . ASP A 1 602 ? 2.534 41.885 -3.377 1.00 16.43 ? 560 ASP A CB 1 -ATOM 4290 C CG . ASP A 1 602 ? 3.708 41.006 -2.988 1.00 21.96 ? 560 ASP A CG 1 -ATOM 4291 O OD1 . ASP A 1 602 ? 4.131 41.060 -1.816 1.00 22.73 ? 560 ASP A OD1 1 -ATOM 4292 O OD2 . ASP A 1 602 ? 4.221 40.259 -3.845 1.00 24.62 ? 560 ASP A OD2 1 -ATOM 4293 N N . ALA A 1 603 ? -0.412 43.326 -2.996 1.00 10.51 ? 561 ALA A N 1 -ATOM 4294 C CA . ALA A 1 603 ? -1.250 44.504 -3.256 1.00 11.19 ? 561 ALA A CA 1 -ATOM 4295 C C . ALA A 1 603 ? -1.680 45.145 -1.934 1.00 13.34 ? 561 ALA A C 1 -ATOM 4296 O O . ALA A 1 603 ? -1.714 46.372 -1.777 1.00 13.58 ? 561 ALA A O 1 -ATOM 4297 C CB . ALA A 1 603 ? -2.458 44.119 -4.096 1.00 12.61 ? 561 ALA A CB 1 -ATOM 4298 N N . PHE A 1 604 ? -2.003 44.307 -0.944 1.00 10.75 ? 562 PHE A N 1 -ATOM 4299 C CA . PHE A 1 604 ? -2.337 44.810 0.394 1.00 11.75 ? 562 PHE A CA 1 -ATOM 4300 C C . PHE A 1 604 ? -1.143 45.562 0.974 1.00 12.37 ? 562 PHE A C 1 -ATOM 4301 O O . PHE A 1 604 ? -1.286 46.687 1.460 1.00 12.63 ? 562 PHE A O 1 -ATOM 4302 C CB . PHE A 1 604 ? -2.730 43.678 1.346 1.00 11.98 ? 562 PHE A CB 1 -ATOM 4303 C CG . PHE A 1 604 ? -2.457 43.932 2.808 1.00 11.51 ? 562 PHE A CG 1 -ATOM 4304 C CD1 . PHE A 1 604 ? -3.175 44.872 3.517 1.00 13.89 ? 562 PHE A CD1 1 -ATOM 4305 C CD2 . PHE A 1 604 ? -1.462 43.228 3.466 1.00 11.87 ? 562 PHE A CD2 1 -ATOM 4306 C CE1 . PHE A 1 604 ? -2.928 45.100 4.867 1.00 13.98 ? 562 PHE A CE1 1 -ATOM 4307 C CE2 . PHE A 1 604 ? -1.205 43.457 4.810 1.00 14.11 ? 562 PHE A CE2 1 -ATOM 4308 C CZ . PHE A 1 604 ? -1.939 44.392 5.512 1.00 13.07 ? 562 PHE A CZ 1 -ATOM 4309 N N . TRP A 1 605 ? 0.051 44.959 0.908 1.00 11.00 ? 563 TRP A N 1 -ATOM 4310 C CA . TRP A 1 605 ? 1.252 45.584 1.457 1.00 10.35 ? 563 TRP A CA 1 -ATOM 4311 C C . TRP A 1 605 ? 1.551 46.921 0.795 1.00 13.03 ? 563 TRP A C 1 -ATOM 4312 O O . TRP A 1 605 ? 1.906 47.887 1.471 1.00 12.43 ? 563 TRP A O 1 -ATOM 4313 C CB . TRP A 1 605 ? 2.471 44.644 1.388 1.00 12.27 ? 563 TRP A CB 1 -ATOM 4314 C CG . TRP A 1 605 ? 3.529 44.945 2.412 1.00 9.92 ? 563 TRP A CG 1 -ATOM 4315 C CD1 . TRP A 1 605 ? 4.698 45.619 2.199 1.00 13.03 ? 563 TRP A CD1 1 -ATOM 4316 C CD2 . TRP A 1 605 ? 3.525 44.585 3.798 1.00 11.68 ? 563 TRP A CD2 1 -ATOM 4317 N NE1 . TRP A 1 605 ? 5.420 45.711 3.375 1.00 13.56 ? 563 TRP A NE1 1 -ATOM 4318 C CE2 . TRP A 1 605 ? 4.716 45.076 4.367 1.00 11.95 ? 563 TRP A CE2 1 -ATOM 4319 C CE3 . TRP A 1 605 ? 2.618 43.902 4.614 1.00 13.46 ? 563 TRP A CE3 1 -ATOM 4320 C CZ2 . TRP A 1 605 ? 5.032 44.907 5.716 1.00 12.40 ? 563 TRP A CZ2 1 -ATOM 4321 C CZ3 . TRP A 1 605 ? 2.925 43.727 5.957 1.00 14.50 ? 563 TRP A CZ3 1 -ATOM 4322 C CH2 . TRP A 1 605 ? 4.122 44.235 6.489 1.00 14.10 ? 563 TRP A CH2 1 -ATOM 4323 N N . ALA A 1 606 ? 1.349 47.027 -0.521 1.00 11.26 ? 564 ALA A N 1 -ATOM 4324 C CA . ALA A 1 606 ? 1.565 48.289 -1.221 1.00 13.51 ? 564 ALA A CA 1 -ATOM 4325 C C . ALA A 1 606 ? 0.606 49.371 -0.732 1.00 14.22 ? 564 ALA A C 1 -ATOM 4326 O O . ALA A 1 606 ? 1.029 50.513 -0.565 1.00 17.16 ? 564 ALA A O 1 -ATOM 4327 C CB . ALA A 1 606 ? 1.404 48.099 -2.723 1.00 12.71 ? 564 ALA A CB 1 -ATOM 4328 N N . GLU A 1 607 ? -0.659 49.043 -0.494 1.00 12.70 ? 565 GLU A N 1 -ATOM 4329 C CA . GLU A 1 607 ? -1.620 50.008 0.023 1.00 15.79 ? 565 GLU A CA 1 -ATOM 4330 C C . GLU A 1 607 ? -1.382 50.279 1.509 1.00 15.38 ? 565 GLU A C 1 -ATOM 4331 O O . GLU A 1 607 ? -1.606 51.380 2.005 1.00 16.95 ? 565 GLU A O 1 -ATOM 4332 C CB . GLU A 1 607 ? -3.055 49.505 -0.178 1.00 17.99 ? 565 GLU A CB 1 -ATOM 4333 C CG . GLU A 1 607 ? -3.413 49.258 -1.632 1.00 27.35 ? 565 GLU A CG 1 -ATOM 4334 C CD . GLU A 1 607 ? -4.823 48.735 -1.832 1.00 31.49 ? 565 GLU A CD 1 -ATOM 4335 O OE1 . GLU A 1 607 ? -5.565 48.563 -0.839 1.00 33.45 ? 565 GLU A OE1 1 -ATOM 4336 O OE2 . GLU A 1 607 ? -5.191 48.496 -3.006 1.00 36.44 ? 565 GLU A OE2 1 -ATOM 4337 N N . GLY A 1 608 ? -0.959 49.271 2.262 1.00 11.87 ? 566 GLY A N 1 -ATOM 4338 C CA . GLY A 1 608 ? -0.653 49.410 3.676 1.00 12.25 ? 566 GLY A CA 1 -ATOM 4339 C C . GLY A 1 608 ? -1.822 49.162 4.618 1.00 11.89 ? 566 GLY A C 1 -ATOM 4340 O O . GLY A 1 608 ? -1.625 49.002 5.818 1.00 12.81 ? 566 GLY A O 1 -ATOM 4341 N N . ILE A 1 609 ? -3.038 49.099 4.093 1.00 11.75 ? 567 ILE A N 1 -ATOM 4342 C CA . ILE A 1 609 ? -4.228 48.901 4.912 1.00 13.42 ? 567 ILE A CA 1 -ATOM 4343 C C . ILE A 1 609 ? -5.384 48.354 4.089 1.00 15.96 ? 567 ILE A C 1 -ATOM 4344 O O . ILE A 1 609 ? -5.479 48.642 2.892 1.00 18.49 ? 567 ILE A O 1 -ATOM 4345 C CB . ILE A 1 609 ? -4.649 50.258 5.516 1.00 15.01 ? 567 ILE A CB 1 -ATOM 4346 C CG1 . ILE A 1 609 ? -5.876 50.120 6.422 1.00 17.96 ? 567 ILE A CG1 1 -ATOM 4347 C CG2 . ILE A 1 609 ? -4.950 51.262 4.404 1.00 17.63 ? 567 ILE A CG2 1 -ATOM 4348 C CD1 . ILE A 1 609 ? -6.139 51.356 7.264 1.00 20.30 ? 567 ILE A CD1 1 -ATOM 4349 N N . VAL A 1 610 ? -6.257 47.566 4.706 1.00 14.21 ? 568 VAL A N 1 -ATOM 4350 C CA . VAL A 1 610 ? -7.474 47.100 4.075 1.00 13.43 ? 568 VAL A CA 1 -ATOM 4351 C C . VAL A 1 610 ? -8.605 47.445 5.065 1.00 15.45 ? 568 VAL A C 1 -ATOM 4352 O O . VAL A 1 610 ? -8.390 47.152 6.245 1.00 14.30 ? 568 VAL A O 1 -ATOM 4353 C CB . VAL A 1 610 ? -7.682 45.595 3.867 1.00 18.07 ? 568 VAL A CB 1 -ATOM 4354 C CG1 . VAL A 1 610 ? -8.702 45.401 2.739 1.00 20.51 ? 568 VAL A CG1 1 -ATOM 4355 C CG2 . VAL A 1 610 ? -6.441 44.794 3.622 1.00 24.27 ? 568 VAL A CG2 1 -ATOM 4356 N N . GLU A 1 611 ? -9.708 47.997 4.613 1.00 14.36 ? 569 GLU A N 1 -ATOM 4357 C CA . GLU A 1 611 ? -10.786 48.292 5.567 1.00 16.88 ? 569 GLU A CA 1 -ATOM 4358 C C . GLU A 1 611 ? -12.005 47.449 5.223 1.00 18.47 ? 569 GLU A C 1 -ATOM 4359 O O . GLU A 1 611 ? -12.222 47.151 4.044 1.00 16.57 ? 569 GLU A O 1 -ATOM 4360 C CB . GLU A 1 611 ? -11.099 49.778 5.556 1.00 21.63 ? 569 GLU A CB 1 -ATOM 4361 C CG . GLU A 1 611 ? -10.004 50.661 6.138 1.00 30.00 ? 569 GLU A CG 1 -ATOM 4362 C CD . GLU A 1 611 ? -10.316 52.137 5.985 1.00 35.74 ? 569 GLU A CD 1 -ATOM 4363 O OE1 . GLU A 1 611 ? -11.230 52.607 6.693 1.00 40.75 ? 569 GLU A OE1 1 -ATOM 4364 O OE2 . GLU A 1 611 ? -9.662 52.818 5.172 1.00 39.35 ? 569 GLU A OE2 1 -ATOM 4365 N N . PHE A 1 612 ? -12.784 47.069 6.229 1.00 15.23 ? 570 PHE A N 1 -ATOM 4366 C CA . PHE A 1 612 ? -13.965 46.242 6.024 1.00 14.69 ? 570 PHE A CA 1 -ATOM 4367 C C . PHE A 1 612 ? -15.256 47.030 6.192 1.00 17.86 ? 570 PHE A C 1 -ATOM 4368 O O . PHE A 1 612 ? -15.318 48.038 6.897 1.00 15.36 ? 570 PHE A O 1 -ATOM 4369 C CB . PHE A 1 612 ? -13.955 45.068 7.013 1.00 15.61 ? 570 PHE A CB 1 -ATOM 4370 C CG . PHE A 1 612 ? -12.681 44.272 7.008 1.00 13.88 ? 570 PHE A CG 1 -ATOM 4371 C CD1 . PHE A 1 612 ? -12.176 43.748 5.827 1.00 15.29 ? 570 PHE A CD1 1 -ATOM 4372 C CD2 . PHE A 1 612 ? -11.991 44.051 8.190 1.00 14.70 ? 570 PHE A CD2 1 -ATOM 4373 C CE1 . PHE A 1 612 ? -11.000 43.020 5.833 1.00 16.36 ? 570 PHE A CE1 1 -ATOM 4374 C CE2 . PHE A 1 612 ? -10.814 43.316 8.197 1.00 16.76 ? 570 PHE A CE2 1 -ATOM 4375 C CZ . PHE A 1 612 ? -10.326 42.794 7.017 1.00 16.24 ? 570 PHE A CZ 1 -ATOM 4376 N N . PRO A 1 613 ? -16.306 46.581 5.506 1.00 20.64 ? 571 PRO A N 1 -ATOM 4377 C CA . PRO A 1 613 ? -17.599 47.230 5.549 1.00 21.38 ? 571 PRO A CA 1 -ATOM 4378 C C . PRO A 1 613 ? -18.428 46.851 6.772 1.00 22.00 ? 571 PRO A C 1 -ATOM 4379 O O . PRO A 1 613 ? -18.380 45.742 7.297 1.00 22.89 ? 571 PRO A O 1 -ATOM 4380 C CB . PRO A 1 613 ? -18.278 46.753 4.269 1.00 21.94 ? 571 PRO A CB 1 -ATOM 4381 C CG . PRO A 1 613 ? -17.657 45.442 3.951 1.00 23.88 ? 571 PRO A CG 1 -ATOM 4382 C CD . PRO A 1 613 ? -16.305 45.397 4.615 1.00 22.54 ? 571 PRO A CD 1 -ATOM 4383 N N . VAL A 1 614 ? -19.236 47.801 7.214 1.00 21.58 ? 572 VAL A N 1 -ATOM 4384 C CA . VAL A 1 614 ? -20.169 47.617 8.316 1.00 23.16 ? 572 VAL A CA 1 -ATOM 4385 C C . VAL A 1 614 ? -21.511 47.230 7.692 1.00 25.48 ? 572 VAL A C 1 -ATOM 4386 O O . VAL A 1 614 ? -21.929 47.925 6.759 1.00 25.51 ? 572 VAL A O 1 -ATOM 4387 C CB . VAL A 1 614 ? -20.324 48.908 9.131 1.00 23.50 ? 572 VAL A CB 1 -ATOM 4388 C CG1 . VAL A 1 614 ? -21.545 48.878 10.042 1.00 23.63 ? 572 VAL A CG1 1 -ATOM 4389 C CG2 . VAL A 1 614 ? -19.066 49.174 9.953 1.00 23.45 ? 572 VAL A CG2 1 -ATOM 4390 N N . THR A 1 615 ? -22.091 46.116 8.108 1.00 24.15 ? 573 THR A N 1 -ATOM 4391 C CA . THR A 1 615 ? -23.388 45.718 7.557 1.00 26.05 ? 573 THR A CA 1 -ATOM 4392 C C . THR A 1 615 ? -24.453 46.054 8.609 1.00 24.99 ? 573 THR A C 1 -ATOM 4393 O O . THR A 1 615 ? -25.003 47.155 8.578 1.00 27.97 ? 573 THR A O 1 -ATOM 4394 C CB . THR A 1 615 ? -23.471 44.248 7.156 1.00 25.18 ? 573 THR A CB 1 -ATOM 4395 O OG1 . THR A 1 615 ? -23.015 43.415 8.232 1.00 25.40 ? 573 THR A OG1 1 -ATOM 4396 C CG2 . THR A 1 615 ? -22.606 43.938 5.935 1.00 27.48 ? 573 THR A CG2 1 -ATOM 4397 N N . ASP A 1 616 ? -24.655 45.165 9.570 1.00 25.13 ? 574 ASP A N 1 -ATOM 4398 C CA . ASP A 1 616 ? -25.642 45.382 10.620 1.00 25.97 ? 574 ASP A CA 1 -ATOM 4399 C C . ASP A 1 616 ? -25.023 45.715 11.972 1.00 23.06 ? 574 ASP A C 1 -ATOM 4400 O O . ASP A 1 616 ? -25.746 45.882 12.967 1.00 22.03 ? 574 ASP A O 1 -ATOM 4401 C CB . ASP A 1 616 ? -26.519 44.128 10.772 1.00 30.10 ? 574 ASP A CB 1 -ATOM 4402 C CG . ASP A 1 616 ? -25.762 42.931 11.303 1.00 35.09 ? 574 ASP A CG 1 -ATOM 4403 O OD1 . ASP A 1 616 ? -24.512 42.939 11.357 1.00 36.52 ? 574 ASP A OD1 1 -ATOM 4404 O OD2 . ASP A 1 616 ? -26.419 41.937 11.687 1.00 38.96 ? 574 ASP A OD2 1 -ATOM 4405 N N . GLY A 1 617 ? -23.706 45.895 12.027 1.00 18.95 ? 575 GLY A N 1 -ATOM 4406 C CA . GLY A 1 617 ? -23.024 46.198 13.276 1.00 15.97 ? 575 GLY A CA 1 -ATOM 4407 C C . GLY A 1 617 ? -23.478 47.442 14.002 1.00 14.80 ? 575 GLY A C 1 -ATOM 4408 O O . GLY A 1 617 ? -23.382 47.523 15.232 1.00 15.15 ? 575 GLY A O 1 -ATOM 4409 N N . ALA A 1 618 ? -23.996 48.456 13.310 1.00 14.57 ? 576 ALA A N 1 -ATOM 4410 C CA . ALA A 1 618 ? -24.432 49.689 13.931 1.00 16.34 ? 576 ALA A CA 1 -ATOM 4411 C C . ALA A 1 618 ? -25.753 49.559 14.679 1.00 16.72 ? 576 ALA A C 1 -ATOM 4412 O O . ALA A 1 618 ? -26.119 50.504 15.388 1.00 18.70 ? 576 ALA A O 1 -ATOM 4413 C CB . ALA A 1 618 ? -24.531 50.813 12.906 1.00 18.63 ? 576 ALA A CB 1 -ATOM 4414 N N . ASP A 1 619 ? -26.459 48.451 14.552 1.00 17.11 ? 577 ASP A N 1 -ATOM 4415 C CA . ASP A 1 619 ? -27.741 48.262 15.214 1.00 20.84 ? 577 ASP A CA 1 -ATOM 4416 C C . ASP A 1 619 ? -27.678 47.348 16.430 1.00 19.15 ? 577 ASP A C 1 -ATOM 4417 O O . ASP A 1 619 ? -28.714 47.033 17.024 1.00 15.44 ? 577 ASP A O 1 -ATOM 4418 C CB . ASP A 1 619 ? -28.713 47.604 14.216 1.00 27.47 ? 577 ASP A CB 1 -ATOM 4419 C CG . ASP A 1 619 ? -29.253 48.584 13.196 1.00 34.95 ? 577 ASP A CG 1 -ATOM 4420 O OD1 . ASP A 1 619 ? -29.380 49.781 13.527 1.00 37.51 ? 577 ASP A OD1 1 -ATOM 4421 O OD2 . ASP A 1 619 ? -29.558 48.144 12.064 1.00 40.38 ? 577 ASP A OD2 1 -ATOM 4422 N N . PHE A 1 620 ? -26.488 46.908 16.805 1.00 14.91 ? 578 PHE A N 1 -ATOM 4423 C CA . PHE A 1 620 ? -26.329 45.949 17.883 1.00 13.85 ? 578 PHE A CA 1 -ATOM 4424 C C . PHE A 1 620 ? -26.807 46.444 19.237 1.00 12.73 ? 578 PHE A C 1 -ATOM 4425 O O . PHE A 1 620 ? -26.380 47.495 19.707 1.00 11.64 ? 578 PHE A O 1 -ATOM 4426 C CB . PHE A 1 620 ? -24.856 45.508 17.996 1.00 13.21 ? 578 PHE A CB 1 -ATOM 4427 C CG . PHE A 1 620 ? -24.660 44.477 19.077 1.00 11.28 ? 578 PHE A CG 1 -ATOM 4428 C CD1 . PHE A 1 620 ? -25.146 43.198 18.912 1.00 15.93 ? 578 PHE A CD1 1 -ATOM 4429 C CD2 . PHE A 1 620 ? -23.983 44.791 20.251 1.00 2.05 ? 578 PHE A CD2 1 -ATOM 4430 C CE1 . PHE A 1 620 ? -24.974 42.243 19.894 1.00 15.88 ? 578 PHE A CE1 1 -ATOM 4431 C CE2 . PHE A 1 620 ? -23.799 43.839 21.238 1.00 13.29 ? 578 PHE A CE2 1 -ATOM 4432 C CZ . PHE A 1 620 ? -24.301 42.565 21.055 1.00 16.19 ? 578 PHE A CZ 1 -ATOM 4433 N N . VAL A 1 621 ? -27.698 45.671 19.857 1.00 12.41 ? 579 VAL A N 1 -ATOM 4434 C CA . VAL A 1 621 ? -28.208 45.969 21.190 1.00 11.67 ? 579 VAL A CA 1 -ATOM 4435 C C . VAL A 1 621 ? -27.891 44.770 22.088 1.00 13.18 ? 579 VAL A C 1 -ATOM 4436 O O . VAL A 1 621 ? -28.421 43.676 21.870 1.00 12.84 ? 579 VAL A O 1 -ATOM 4437 C CB . VAL A 1 621 ? -29.731 46.185 21.237 1.00 12.27 ? 579 VAL A CB 1 -ATOM 4438 C CG1 . VAL A 1 621 ? -30.168 46.357 22.689 1.00 13.48 ? 579 VAL A CG1 1 -ATOM 4439 C CG2 . VAL A 1 621 ? -30.150 47.365 20.374 1.00 13.20 ? 579 VAL A CG2 1 -ATOM 4440 N N . ARG A 1 622 ? -27.018 44.955 23.061 1.00 13.16 ? 580 ARG A N 1 -ATOM 4441 C CA . ARG A 1 622 ? -26.636 43.861 23.958 1.00 13.72 ? 580 ARG A CA 1 -ATOM 4442 C C . ARG A 1 622 ? -27.807 43.341 24.780 1.00 13.03 ? 580 ARG A C 1 -ATOM 4443 O O . ARG A 1 622 ? -28.610 44.136 25.273 1.00 11.22 ? 580 ARG A O 1 -ATOM 4444 C CB . ARG A 1 622 ? -25.513 44.407 24.856 1.00 14.56 ? 580 ARG A CB 1 -ATOM 4445 C CG . ARG A 1 622 ? -24.674 43.327 25.482 1.00 17.01 ? 580 ARG A CG 1 -ATOM 4446 C CD . ARG A 1 622 ? -23.292 43.781 26.003 1.00 15.71 ? 580 ARG A CD 1 -ATOM 4447 N NE . ARG A 1 622 ? -22.834 42.578 26.723 1.00 13.44 ? 580 ARG A NE 1 -ATOM 4448 C CZ . ARG A 1 622 ? -22.322 41.504 26.144 1.00 15.20 ? 580 ARG A CZ 1 -ATOM 4449 N NH1 . ARG A 1 622 ? -22.091 41.435 24.840 1.00 13.96 ? 580 ARG A NH1 1 -ATOM 4450 N NH2 . ARG A 1 622 ? -22.028 40.465 26.917 1.00 15.02 ? 580 ARG A NH2 1 -ATOM 4451 N N . TYR A 1 623 ? -27.980 42.023 24.927 1.00 10.15 ? 581 TYR A N 1 -ATOM 4452 C CA . TYR A 1 623 ? -29.050 41.408 25.689 1.00 12.05 ? 581 TYR A CA 1 -ATOM 4453 C C . TYR A 1 623 ? -30.419 41.493 25.031 1.00 13.21 ? 581 TYR A C 1 -ATOM 4454 O O . TYR A 1 623 ? -31.411 41.028 25.605 1.00 11.74 ? 581 TYR A O 1 -ATOM 4455 C CB . TYR A 1 623 ? -29.134 41.896 27.154 1.00 11.22 ? 581 TYR A CB 1 -ATOM 4456 C CG . TYR A 1 623 ? -27.955 41.372 27.964 1.00 15.74 ? 581 TYR A CG 1 -ATOM 4457 C CD1 . TYR A 1 623 ? -27.927 40.053 28.384 1.00 18.50 ? 581 TYR A CD1 1 -ATOM 4458 C CD2 . TYR A 1 623 ? -26.870 42.181 28.283 1.00 14.99 ? 581 TYR A CD2 1 -ATOM 4459 C CE1 . TYR A 1 623 ? -26.861 39.546 29.098 1.00 21.76 ? 581 TYR A CE1 1 -ATOM 4460 C CE2 . TYR A 1 623 ? -25.795 41.685 28.998 1.00 15.77 ? 581 TYR A CE2 1 -ATOM 4461 C CZ . TYR A 1 623 ? -25.788 40.368 29.397 1.00 21.42 ? 581 TYR A CZ 1 -ATOM 4462 O OH . TYR A 1 623 ? -24.724 39.846 30.103 1.00 19.19 ? 581 TYR A OH 1 -ATOM 4463 N N . ALA A 1 624 ? -30.530 42.027 23.819 1.00 13.54 ? 582 ALA A N 1 -ATOM 4464 C CA . ALA A 1 624 ? -31.820 42.107 23.146 1.00 16.61 ? 582 ALA A CA 1 -ATOM 4465 C C . ALA A 1 624 ? -32.459 40.739 22.921 1.00 16.73 ? 582 ALA A C 1 -ATOM 4466 O O . ALA A 1 624 ? -33.680 40.634 23.081 1.00 16.14 ? 582 ALA A O 1 -ATOM 4467 C CB . ALA A 1 624 ? -31.668 42.829 21.815 1.00 16.18 ? 582 ALA A CB 1 -ATOM 4468 N N . SER A 1 625 ? -31.702 39.719 22.529 1.00 14.50 ? 583 SER A N 1 -ATOM 4469 C CA . SER A 1 625 ? -32.323 38.412 22.280 1.00 18.88 ? 583 SER A CA 1 -ATOM 4470 C C . SER A 1 625 ? -32.786 37.759 23.574 1.00 15.63 ? 583 SER A C 1 -ATOM 4471 O O . SER A 1 625 ? -33.863 37.154 23.584 1.00 15.48 ? 583 SER A O 1 -ATOM 4472 C CB . SER A 1 625 ? -31.414 37.512 21.447 1.00 21.04 ? 583 SER A CB 1 -ATOM 4473 O OG . SER A 1 625 ? -30.276 37.122 22.190 1.00 29.76 ? 583 SER A OG 1 -ATOM 4474 N N . PHE A 1 626 ? -32.049 37.910 24.665 1.00 13.15 ? 584 PHE A N 1 -ATOM 4475 C CA . PHE A 1 626 ? -32.457 37.427 25.981 1.00 13.78 ? 584 PHE A CA 1 -ATOM 4476 C C . PHE A 1 626 ? -33.766 38.080 26.414 1.00 15.05 ? 584 PHE A C 1 -ATOM 4477 O O . PHE A 1 626 ? -34.716 37.408 26.834 1.00 16.74 ? 584 PHE A O 1 -ATOM 4478 C CB . PHE A 1 626 ? -31.382 37.755 27.017 1.00 14.53 ? 584 PHE A CB 1 -ATOM 4479 C CG . PHE A 1 626 ? -31.702 37.439 28.448 1.00 14.35 ? 584 PHE A CG 1 -ATOM 4480 C CD1 . PHE A 1 626 ? -32.029 36.150 28.845 1.00 14.08 ? 584 PHE A CD1 1 -ATOM 4481 C CD2 . PHE A 1 626 ? -31.658 38.436 29.411 1.00 13.97 ? 584 PHE A CD2 1 -ATOM 4482 C CE1 . PHE A 1 626 ? -32.314 35.879 30.174 1.00 12.57 ? 584 PHE A CE1 1 -ATOM 4483 C CE2 . PHE A 1 626 ? -31.937 38.168 30.738 1.00 11.88 ? 584 PHE A CE2 1 -ATOM 4484 C CZ . PHE A 1 626 ? -32.260 36.878 31.124 1.00 13.85 ? 584 PHE A CZ 1 -ATOM 4485 N N . ARG A 1 627 ? -33.835 39.407 26.281 1.00 15.51 ? 585 ARG A N 1 -ATOM 4486 C CA . ARG A 1 627 ? -35.054 40.133 26.621 1.00 15.79 ? 585 ARG A CA 1 -ATOM 4487 C C . ARG A 1 627 ? -36.245 39.698 25.767 1.00 16.10 ? 585 ARG A C 1 -ATOM 4488 O O . ARG A 1 627 ? -37.350 39.486 26.290 1.00 15.19 ? 585 ARG A O 1 -ATOM 4489 C CB . ARG A 1 627 ? -34.890 41.652 26.478 1.00 17.56 ? 585 ARG A CB 1 -ATOM 4490 C CG . ARG A 1 627 ? -36.022 42.401 27.168 1.00 20.30 ? 585 ARG A CG 1 -ATOM 4491 C CD . ARG A 1 627 ? -36.084 43.893 26.875 1.00 22.56 ? 585 ARG A CD 1 -ATOM 4492 N NE . ARG A 1 627 ? -37.173 44.496 27.650 1.00 23.26 ? 585 ARG A NE 1 -ATOM 4493 C CZ . ARG A 1 627 ? -37.090 44.984 28.881 1.00 22.94 ? 585 ARG A CZ 1 -ATOM 4494 N NH1 . ARG A 1 627 ? -35.943 44.999 29.548 1.00 16.62 ? 585 ARG A NH1 1 -ATOM 4495 N NH2 . ARG A 1 627 ? -38.193 45.480 29.446 1.00 20.95 ? 585 ARG A NH2 1 -ATOM 4496 N N . GLU A 1 628 ? -36.027 39.541 24.464 1.00 16.37 ? 586 GLU A N 1 -ATOM 4497 C CA . GLU A 1 628 ? -37.103 39.149 23.561 1.00 19.77 ? 586 GLU A CA 1 -ATOM 4498 C C . GLU A 1 628 ? -37.685 37.779 23.887 1.00 22.70 ? 586 GLU A C 1 -ATOM 4499 O O . GLU A 1 628 ? -38.904 37.590 23.820 1.00 20.90 ? 586 GLU A O 1 -ATOM 4500 C CB . GLU A 1 628 ? -36.614 39.151 22.106 1.00 25.40 ? 586 GLU A CB 1 -ATOM 4501 C CG . GLU A 1 628 ? -37.703 38.769 21.116 1.00 34.41 ? 586 GLU A CG 1 -ATOM 4502 C CD . GLU A 1 628 ? -37.250 38.668 19.677 1.00 41.65 ? 586 GLU A CD 1 -ATOM 4503 O OE1 . GLU A 1 628 ? -36.193 39.234 19.314 1.00 44.22 ? 586 GLU A OE1 1 -ATOM 4504 O OE2 . GLU A 1 628 ? -37.965 38.013 18.879 1.00 45.58 ? 586 GLU A OE2 1 -ATOM 4505 N N . ASP A 1 629 ? -36.835 36.801 24.171 1.00 18.96 ? 587 ASP A N 1 -ATOM 4506 C CA . ASP A 1 629 ? -37.319 35.453 24.477 1.00 22.84 ? 587 ASP A CA 1 -ATOM 4507 C C . ASP A 1 629 ? -36.279 34.723 25.315 1.00 19.77 ? 587 ASP A C 1 -ATOM 4508 O O . ASP A 1 629 ? -35.373 34.085 24.784 1.00 20.32 ? 587 ASP A O 1 -ATOM 4509 C CB . ASP A 1 629 ? -37.597 34.701 23.177 1.00 26.72 ? 587 ASP A CB 1 -ATOM 4510 C CG . ASP A 1 629 ? -38.322 33.385 23.396 1.00 30.99 ? 587 ASP A CG 1 -ATOM 4511 O OD1 . ASP A 1 629 ? -38.363 32.889 24.540 1.00 32.00 ? 587 ASP A OD1 1 -ATOM 4512 O OD2 . ASP A 1 629 ? -38.856 32.855 22.397 1.00 31.95 ? 587 ASP A OD2 1 -ATOM 4513 N N . PRO A 1 630 ? -36.414 34.808 26.635 1.00 19.61 ? 588 PRO A N 1 -ATOM 4514 C CA . PRO A 1 630 ? -35.477 34.208 27.558 1.00 20.55 ? 588 PRO A CA 1 -ATOM 4515 C C . PRO A 1 630 ? -35.470 32.691 27.572 1.00 23.36 ? 588 PRO A C 1 -ATOM 4516 O O . PRO A 1 630 ? -34.465 32.119 27.996 1.00 23.05 ? 588 PRO A O 1 -ATOM 4517 C CB . PRO A 1 630 ? -35.863 34.781 28.917 1.00 21.34 ? 588 PRO A CB 1 -ATOM 4518 C CG . PRO A 1 630 ? -37.287 35.203 28.782 1.00 21.01 ? 588 PRO A CG 1 -ATOM 4519 C CD . PRO A 1 630 ? -37.473 35.574 27.336 1.00 19.28 ? 588 PRO A CD 1 -ATOM 4520 N N . LEU A 1 631 ? -36.539 32.034 27.149 1.00 24.91 ? 589 LEU A N 1 -ATOM 4521 C CA . LEU A 1 631 ? -36.593 30.575 27.123 1.00 28.65 ? 589 LEU A CA 1 -ATOM 4522 C C . LEU A 1 631 ? -35.821 30.034 25.927 1.00 27.68 ? 589 LEU A C 1 -ATOM 4523 O O . LEU A 1 631 ? -35.122 29.027 26.024 1.00 28.03 ? 589 LEU A O 1 -ATOM 4524 C CB . LEU A 1 631 ? -38.044 30.090 27.090 1.00 32.35 ? 589 LEU A CB 1 -ATOM 4525 C CG . LEU A 1 631 ? -38.998 30.735 28.100 1.00 36.29 ? 589 LEU A CG 1 -ATOM 4526 C CD1 . LEU A 1 631 ? -40.436 30.317 27.823 1.00 37.63 ? 589 LEU A CD1 1 -ATOM 4527 C CD2 . LEU A 1 631 ? -38.599 30.384 29.525 1.00 38.18 ? 589 LEU A CD2 1 -ATOM 4528 N N . LEU A 1 632 ? -35.924 30.730 24.797 1.00 25.64 ? 590 LEU A N 1 -ATOM 4529 C CA . LEU A 1 632 ? -35.206 30.335 23.597 1.00 23.67 ? 590 LEU A CA 1 -ATOM 4530 C C . LEU A 1 632 ? -33.762 30.817 23.620 1.00 23.13 ? 590 LEU A C 1 -ATOM 4531 O O . LEU A 1 632 ? -32.868 30.161 23.088 1.00 23.12 ? 590 LEU A O 1 -ATOM 4532 C CB . LEU A 1 632 ? -35.860 30.935 22.345 1.00 26.19 ? 590 LEU A CB 1 -ATOM 4533 C CG . LEU A 1 632 ? -35.187 30.517 21.029 1.00 29.58 ? 590 LEU A CG 1 -ATOM 4534 C CD1 . LEU A 1 632 ? -35.826 29.237 20.510 1.00 31.84 ? 590 LEU A CD1 1 -ATOM 4535 C CD2 . LEU A 1 632 ? -35.285 31.627 19.999 1.00 31.16 ? 590 LEU A CD2 1 -ATOM 4536 N N . ASN A 1 633 ? -33.513 31.965 24.259 1.00 20.63 ? 591 ASN A N 1 -ATOM 4537 C CA . ASN A 1 633 ? -32.184 32.552 24.361 1.00 19.85 ? 591 ASN A CA 1 -ATOM 4538 C C . ASN A 1 633 ? -31.717 32.801 25.788 1.00 19.87 ? 591 ASN A C 1 -ATOM 4539 O O . ASN A 1 633 ? -31.515 33.953 26.198 1.00 20.08 ? 591 ASN A O 1 -ATOM 4540 C CB . ASN A 1 633 ? -32.201 33.931 23.648 1.00 20.64 ? 591 ASN A CB 1 -ATOM 4541 C CG . ASN A 1 633 ? -32.637 33.870 22.204 1.00 22.18 ? 591 ASN A CG 1 -ATOM 4542 O OD1 . ASN A 1 633 ? -31.967 33.231 21.388 1.00 24.53 ? 591 ASN A OD1 1 -ATOM 4543 N ND2 . ASN A 1 633 ? -33.752 34.503 21.867 1.00 21.20 ? 591 ASN A ND2 1 -ATOM 4544 N N . PRO A 1 634 ? -31.524 31.767 26.589 1.00 19.84 ? 592 PRO A N 1 -ATOM 4545 C CA . PRO A 1 634 ? -31.109 31.917 27.976 1.00 18.37 ? 592 PRO A CA 1 -ATOM 4546 C C . PRO A 1 634 ? -29.658 32.302 28.158 1.00 16.62 ? 592 PRO A C 1 -ATOM 4547 O O . PRO A 1 634 ? -28.811 32.127 27.276 1.00 18.93 ? 592 PRO A O 1 -ATOM 4548 C CB . PRO A 1 634 ? -31.358 30.525 28.567 1.00 20.36 ? 592 PRO A CB 1 -ATOM 4549 C CG . PRO A 1 634 ? -31.024 29.632 27.408 1.00 22.67 ? 592 PRO A CG 1 -ATOM 4550 C CD . PRO A 1 634 ? -31.671 30.337 26.238 1.00 21.88 ? 592 PRO A CD 1 -ATOM 4551 N N . LEU A 1 635 ? -29.351 32.835 29.345 1.00 13.09 ? 593 LEU A N 1 -ATOM 4552 C CA . LEU A 1 635 ? -27.961 33.175 29.660 1.00 14.26 ? 593 LEU A CA 1 -ATOM 4553 C C . LEU A 1 635 ? -27.232 31.892 30.030 1.00 15.55 ? 593 LEU A C 1 -ATOM 4554 O O . LEU A 1 635 ? -27.885 30.897 30.382 1.00 16.32 ? 593 LEU A O 1 -ATOM 4555 C CB . LEU A 1 635 ? -27.924 34.142 30.842 1.00 14.86 ? 593 LEU A CB 1 -ATOM 4556 C CG . LEU A 1 635 ? -28.599 35.501 30.613 1.00 13.73 ? 593 LEU A CG 1 -ATOM 4557 C CD1 . LEU A 1 635 ? -28.274 36.415 31.791 1.00 14.37 ? 593 LEU A CD1 1 -ATOM 4558 C CD2 . LEU A 1 635 ? -28.182 36.136 29.298 1.00 14.10 ? 593 LEU A CD2 1 -ATOM 4559 N N . GLY A 1 636 ? -25.908 31.905 29.993 1.00 13.99 ? 594 GLY A N 1 -ATOM 4560 C CA . GLY A 1 636 ? -25.119 30.746 30.368 1.00 14.00 ? 594 GLY A CA 1 -ATOM 4561 C C . GLY A 1 636 ? -24.913 30.567 31.858 1.00 13.72 ? 594 GLY A C 1 -ATOM 4562 O O . GLY A 1 636 ? -23.819 30.193 32.283 1.00 17.17 ? 594 GLY A O 1 -ATOM 4563 N N . THR A 1 637 ? -25.914 30.777 32.698 1.00 13.61 ? 595 THR A N 1 -ATOM 4564 C CA . THR A 1 637 ? -25.856 30.560 34.136 1.00 11.96 ? 595 THR A CA 1 -ATOM 4565 C C . THR A 1 637 ? -26.612 29.272 34.440 1.00 13.56 ? 595 THR A C 1 -ATOM 4566 O O . THR A 1 637 ? -27.402 28.836 33.596 1.00 13.89 ? 595 THR A O 1 -ATOM 4567 C CB . THR A 1 637 ? -26.565 31.707 34.878 1.00 14.06 ? 595 THR A CB 1 -ATOM 4568 O OG1 . THR A 1 637 ? -27.910 31.813 34.395 1.00 12.85 ? 595 THR A OG1 1 -ATOM 4569 C CG2 . THR A 1 637 ? -25.843 33.024 34.620 1.00 13.60 ? 595 THR A CG2 1 -ATOM 4570 N N . PRO A 1 638 ? -26.504 28.746 35.646 1.00 12.60 ? 596 PRO A N 1 -ATOM 4571 C CA . PRO A 1 638 ? -27.190 27.515 36.012 1.00 15.40 ? 596 PRO A CA 1 -ATOM 4572 C C . PRO A 1 638 ? -28.685 27.593 35.791 1.00 14.62 ? 596 PRO A C 1 -ATOM 4573 O O . PRO A 1 638 ? -29.286 26.658 35.261 1.00 16.93 ? 596 PRO A O 1 -ATOM 4574 C CB . PRO A 1 638 ? -26.807 27.279 37.468 1.00 12.27 ? 596 PRO A CB 1 -ATOM 4575 C CG . PRO A 1 638 ? -25.473 27.953 37.588 1.00 16.79 ? 596 PRO A CG 1 -ATOM 4576 C CD . PRO A 1 638 ? -25.586 29.198 36.727 1.00 14.17 ? 596 PRO A CD 1 -ATOM 4577 N N . THR A 1 639 ? -29.316 28.722 36.117 1.00 15.35 ? 597 THR A N 1 -ATOM 4578 C CA . THR A 1 639 ? -30.748 28.899 35.938 1.00 15.89 ? 597 THR A CA 1 -ATOM 4579 C C . THR A 1 639 ? -31.115 29.429 34.561 1.00 16.71 ? 597 THR A C 1 -ATOM 4580 O O . THR A 1 639 ? -32.298 29.441 34.201 1.00 16.07 ? 597 THR A O 1 -ATOM 4581 C CB . THR A 1 639 ? -31.268 29.936 36.969 1.00 19.03 ? 597 THR A CB 1 -ATOM 4582 O OG1 . THR A 1 639 ? -30.597 31.182 36.707 1.00 17.90 ? 597 THR A OG1 1 -ATOM 4583 C CG2 . THR A 1 639 ? -30.964 29.471 38.380 1.00 18.93 ? 597 THR A CG2 1 -ATOM 4584 N N . GLY A 1 640 ? -30.151 29.985 33.825 1.00 10.89 ? 598 GLY A N 1 -ATOM 4585 C CA . GLY A 1 640 ? -30.446 30.604 32.535 1.00 13.01 ? 598 GLY A CA 1 -ATOM 4586 C C . GLY A 1 640 ? -30.892 32.059 32.691 1.00 12.84 ? 598 GLY A C 1 -ATOM 4587 O O . GLY A 1 640 ? -31.255 32.743 31.731 1.00 15.39 ? 598 GLY A O 1 -ATOM 4588 N N . LEU A 1 641 ? -30.893 32.569 33.911 1.00 12.92 ? 599 LEU A N 1 -ATOM 4589 C CA . LEU A 1 641 ? -31.326 33.920 34.228 1.00 12.93 ? 599 LEU A CA 1 -ATOM 4590 C C . LEU A 1 641 ? -30.223 34.703 34.935 1.00 12.66 ? 599 LEU A C 1 -ATOM 4591 O O . LEU A 1 641 ? -29.183 34.121 35.251 1.00 12.85 ? 599 LEU A O 1 -ATOM 4592 C CB . LEU A 1 641 ? -32.537 33.879 35.179 1.00 13.65 ? 599 LEU A CB 1 -ATOM 4593 C CG . LEU A 1 641 ? -33.764 33.100 34.679 1.00 13.34 ? 599 LEU A CG 1 -ATOM 4594 C CD1 . LEU A 1 641 ? -34.747 32.887 35.818 1.00 16.57 ? 599 LEU A CD1 1 -ATOM 4595 C CD2 . LEU A 1 641 ? -34.394 33.812 33.495 1.00 17.29 ? 599 LEU A CD2 1 -ATOM 4596 N N . ILE A 1 642 ? -30.487 35.996 35.180 1.00 9.97 ? 600 ILE A N 1 -ATOM 4597 C CA . ILE A 1 642 ? -29.489 36.807 35.896 1.00 11.83 ? 600 ILE A CA 1 -ATOM 4598 C C . ILE A 1 642 ? -29.512 36.383 37.361 1.00 12.86 ? 600 ILE A C 1 -ATOM 4599 O O . ILE A 1 642 ? -30.561 36.509 38.011 1.00 15.89 ? 600 ILE A O 1 -ATOM 4600 C CB . ILE A 1 642 ? -29.774 38.316 35.783 1.00 11.21 ? 600 ILE A CB 1 -ATOM 4601 C CG1 . ILE A 1 642 ? -29.639 38.782 34.334 1.00 13.36 ? 600 ILE A CG1 1 -ATOM 4602 C CG2 . ILE A 1 642 ? -28.858 39.132 36.696 1.00 11.66 ? 600 ILE A CG2 1 -ATOM 4603 C CD1 . ILE A 1 642 ? -30.347 40.089 34.034 1.00 14.08 ? 600 ILE A CD1 1 -ATOM 4604 N N . GLU A 1 643 ? -28.380 35.925 37.886 1.00 9.59 ? 601 GLU A N 1 -ATOM 4605 C CA . GLU A 1 643 ? -28.357 35.439 39.263 1.00 10.58 ? 601 GLU A CA 1 -ATOM 4606 C C . GLU A 1 643 ? -27.949 36.466 40.294 1.00 12.97 ? 601 GLU A C 1 -ATOM 4607 O O . GLU A 1 643 ? -26.777 36.767 40.537 1.00 12.07 ? 601 GLU A O 1 -ATOM 4608 C CB . GLU A 1 643 ? -27.480 34.170 39.338 1.00 11.85 ? 601 GLU A CB 1 -ATOM 4609 C CG . GLU A 1 643 ? -28.120 33.090 38.475 1.00 13.62 ? 601 GLU A CG 1 -ATOM 4610 C CD . GLU A 1 643 ? -27.711 31.660 38.736 1.00 15.70 ? 601 GLU A CD 1 -ATOM 4611 O OE1 . GLU A 1 643 ? -27.016 31.324 39.718 1.00 14.08 ? 601 GLU A OE1 1 -ATOM 4612 O OE2 . GLU A 1 643 ? -28.144 30.851 37.880 1.00 15.99 ? 601 GLU A OE2 1 -ATOM 4613 N N . ILE A 1 644 ? -28.967 36.981 40.985 1.00 11.18 ? 602 ILE A N 1 -ATOM 4614 C CA . ILE A 1 644 ? -28.751 37.961 42.057 1.00 12.79 ? 602 ILE A CA 1 -ATOM 4615 C C . ILE A 1 644 ? -28.273 37.245 43.311 1.00 13.74 ? 602 ILE A C 1 -ATOM 4616 O O . ILE A 1 644 ? -27.450 37.740 44.075 1.00 15.69 ? 602 ILE A O 1 -ATOM 4617 C CB . ILE A 1 644 ? -30.033 38.779 42.281 1.00 14.56 ? 602 ILE A CB 1 -ATOM 4618 C CG1 . ILE A 1 644 ? -30.311 39.608 41.017 1.00 15.85 ? 602 ILE A CG1 1 -ATOM 4619 C CG2 . ILE A 1 644 ? -29.881 39.655 43.517 1.00 11.26 ? 602 ILE A CG2 1 -ATOM 4620 C CD1 . ILE A 1 644 ? -31.635 40.345 41.042 1.00 20.65 ? 602 ILE A CD1 1 -ATOM 4621 N N . TYR A 1 645 ? -28.746 36.014 43.495 1.00 12.71 ? 603 TYR A N 1 -ATOM 4622 C CA . TYR A 1 645 ? -28.280 35.128 44.550 1.00 14.08 ? 603 TYR A CA 1 -ATOM 4623 C C . TYR A 1 645 ? -27.687 33.924 43.809 1.00 12.99 ? 603 TYR A C 1 -ATOM 4624 O O . TYR A 1 645 ? -28.352 33.438 42.886 1.00 16.46 ? 603 TYR A O 1 -ATOM 4625 C CB . TYR A 1 645 ? -29.367 34.658 45.500 1.00 14.71 ? 603 TYR A CB 1 -ATOM 4626 C CG . TYR A 1 645 ? -28.868 33.828 46.663 1.00 16.44 ? 603 TYR A CG 1 -ATOM 4627 C CD1 . TYR A 1 645 ? -28.732 32.448 46.571 1.00 17.69 ? 603 TYR A CD1 1 -ATOM 4628 C CD2 . TYR A 1 645 ? -28.552 34.440 47.868 1.00 18.44 ? 603 TYR A CD2 1 -ATOM 4629 C CE1 . TYR A 1 645 ? -28.290 31.701 47.648 1.00 19.53 ? 603 TYR A CE1 1 -ATOM 4630 C CE2 . TYR A 1 645 ? -28.098 33.699 48.947 1.00 20.42 ? 603 TYR A CE2 1 -ATOM 4631 C CZ . TYR A 1 645 ? -27.976 32.333 48.831 1.00 20.23 ? 603 TYR A CZ 1 -ATOM 4632 O OH . TYR A 1 645 ? -27.523 31.614 49.913 1.00 23.00 ? 603 TYR A OH 1 -ATOM 4633 N N . SER A 1 646 ? -26.476 33.515 44.152 1.00 10.95 ? 604 SER A N 1 -ATOM 4634 C CA . SER A 1 646 ? -25.877 32.393 43.420 1.00 11.49 ? 604 SER A CA 1 -ATOM 4635 C C . SER A 1 646 ? -25.749 31.190 44.337 1.00 12.67 ? 604 SER A C 1 -ATOM 4636 O O . SER A 1 646 ? -24.968 31.215 45.286 1.00 14.05 ? 604 SER A O 1 -ATOM 4637 C CB . SER A 1 646 ? -24.490 32.815 42.921 1.00 12.43 ? 604 SER A CB 1 -ATOM 4638 O OG . SER A 1 646 ? -23.786 31.715 42.367 1.00 15.41 ? 604 SER A OG 1 -ATOM 4639 N N . LYS A 1 647 ? -26.450 30.096 44.028 1.00 16.24 ? 605 LYS A N 1 -ATOM 4640 C CA . LYS A 1 647 ? -26.329 28.887 44.847 1.00 16.83 ? 605 LYS A CA 1 -ATOM 4641 C C . LYS A 1 647 ? -24.937 28.283 44.741 1.00 14.79 ? 605 LYS A C 1 -ATOM 4642 O O . LYS A 1 647 ? -24.394 27.696 45.670 1.00 16.49 ? 605 LYS A O 1 -ATOM 4643 C CB . LYS A 1 647 ? -27.379 27.853 44.417 1.00 22.28 ? 605 LYS A CB 1 -ATOM 4644 C CG . LYS A 1 647 ? -28.750 28.179 44.994 1.00 31.48 ? 605 LYS A CG 1 -ATOM 4645 C CD . LYS A 1 647 ? -29.865 27.664 44.091 1.00 38.88 ? 605 LYS A CD 1 -ATOM 4646 C CE . LYS A 1 647 ? -31.160 27.515 44.882 1.00 42.83 ? 605 LYS A CE 1 -ATOM 4647 N NZ . LYS A 1 647 ? -32.207 26.826 44.077 1.00 47.91 ? 605 LYS A NZ 1 -ATOM 4648 N N . ASN A 1 648 ? -24.333 28.424 43.565 1.00 13.92 ? 606 ASN A N 1 -ATOM 4649 C CA . ASN A 1 648 ? -22.985 27.934 43.306 1.00 17.51 ? 606 ASN A CA 1 -ATOM 4650 C C . ASN A 1 648 ? -21.969 28.597 44.222 1.00 16.07 ? 606 ASN A C 1 -ATOM 4651 O O . ASN A 1 648 ? -21.116 27.943 44.833 1.00 13.58 ? 606 ASN A O 1 -ATOM 4652 C CB . ASN A 1 648 ? -22.687 28.251 41.842 1.00 25.08 ? 606 ASN A CB 1 -ATOM 4653 C CG . ASN A 1 648 ? -21.756 27.300 41.141 1.00 32.65 ? 606 ASN A CG 1 -ATOM 4654 O OD1 . ASN A 1 648 ? -20.535 27.439 41.219 1.00 38.61 ? 606 ASN A OD1 1 -ATOM 4655 N ND2 . ASN A 1 648 ? -22.333 26.348 40.420 1.00 37.77 ? 606 ASN A ND2 1 -ATOM 4656 N N . ILE A 1 649 ? -22.072 29.933 44.338 1.00 13.69 ? 607 ILE A N 1 -ATOM 4657 C CA . ILE A 1 649 ? -21.155 30.656 45.222 1.00 12.70 ? 607 ILE A CA 1 -ATOM 4658 C C . ILE A 1 649 ? -21.432 30.376 46.685 1.00 13.15 ? 607 ILE A C 1 -ATOM 4659 O O . ILE A 1 649 ? -20.518 30.266 47.511 1.00 14.17 ? 607 ILE A O 1 -ATOM 4660 C CB . ILE A 1 649 ? -21.186 32.163 44.900 1.00 11.93 ? 607 ILE A CB 1 -ATOM 4661 C CG1 . ILE A 1 649 ? -20.547 32.355 43.520 1.00 14.24 ? 607 ILE A CG1 1 -ATOM 4662 C CG2 . ILE A 1 649 ? -20.447 32.933 45.981 1.00 11.12 ? 607 ILE A CG2 1 -ATOM 4663 C CD1 . ILE A 1 649 ? -20.702 33.738 42.934 1.00 15.36 ? 607 ILE A CD1 1 -ATOM 4664 N N . GLU A 1 650 ? -22.700 30.192 47.055 1.00 13.81 ? 608 GLU A N 1 -ATOM 4665 C CA . GLU A 1 650 ? -23.046 29.832 48.428 1.00 16.40 ? 608 GLU A CA 1 -ATOM 4666 C C . GLU A 1 650 ? -22.333 28.555 48.863 1.00 15.34 ? 608 GLU A C 1 -ATOM 4667 O O . GLU A 1 650 ? -21.788 28.454 49.967 1.00 15.72 ? 608 GLU A O 1 -ATOM 4668 C CB . GLU A 1 650 ? -24.562 29.619 48.547 1.00 18.07 ? 608 GLU A CB 1 -ATOM 4669 C CG . GLU A 1 650 ? -24.962 29.096 49.929 1.00 20.88 ? 608 GLU A CG 1 -ATOM 4670 C CD . GLU A 1 650 ? -26.334 28.448 49.844 1.00 26.34 ? 608 GLU A CD 1 -ATOM 4671 O OE1 . GLU A 1 650 ? -27.318 29.188 49.675 1.00 25.27 ? 608 GLU A OE1 1 -ATOM 4672 O OE2 . GLU A 1 650 ? -26.434 27.207 49.927 1.00 29.82 ? 608 GLU A OE2 1 -ATOM 4673 N N . LYS A 1 651 ? -22.250 27.577 47.967 1.00 16.14 ? 609 LYS A N 1 -ATOM 4674 C CA . LYS A 1 651 ? -21.603 26.301 48.236 1.00 19.95 ? 609 LYS A CA 1 -ATOM 4675 C C . LYS A 1 651 ? -20.104 26.394 48.432 1.00 20.28 ? 609 LYS A C 1 -ATOM 4676 O O . LYS A 1 651 ? -19.527 25.525 49.096 1.00 19.84 ? 609 LYS A O 1 -ATOM 4677 C CB . LYS A 1 651 ? -21.939 25.285 47.131 1.00 23.11 ? 609 LYS A CB 1 -ATOM 4678 C CG . LYS A 1 651 ? -23.409 24.886 47.201 1.00 32.04 ? 609 LYS A CG 1 -ATOM 4679 C CD . LYS A 1 651 ? -23.900 24.273 45.901 1.00 37.90 ? 609 LYS A CD 1 -ATOM 4680 C CE . LYS A 1 651 ? -25.417 24.154 45.890 1.00 42.23 ? 609 LYS A CE 1 -ATOM 4681 N NZ . LYS A 1 651 ? -25.874 22.803 45.456 1.00 46.02 ? 609 LYS A NZ 1 -ATOM 4682 N N . MET A 1 652 ? -19.461 27.442 47.911 1.00 15.82 ? 610 MET A N 1 -ATOM 4683 C CA . MET A 1 652 ? -18.035 27.623 48.121 1.00 15.33 ? 610 MET A CA 1 -ATOM 4684 C C . MET A 1 652 ? -17.739 28.025 49.556 1.00 16.35 ? 610 MET A C 1 -ATOM 4685 O O . MET A 1 652 ? -16.648 27.743 50.051 1.00 19.46 ? 610 MET A O 1 -ATOM 4686 C CB . MET A 1 652 ? -17.480 28.674 47.156 1.00 15.18 ? 610 MET A CB 1 -ATOM 4687 C CG . MET A 1 652 ? -17.773 28.357 45.694 1.00 15.95 ? 610 MET A CG 1 -ATOM 4688 S SD . MET A 1 652 ? -17.177 29.711 44.648 1.00 17.54 ? 610 MET A SD 1 -ATOM 4689 C CE . MET A 1 652 ? -17.597 29.074 43.029 1.00 17.66 ? 610 MET A CE 1 -ATOM 4690 N N . GLY A 1 653 ? -18.662 28.694 50.238 1.00 17.86 ? 611 GLY A N 1 -ATOM 4691 C CA . GLY A 1 653 ? -18.475 29.073 51.624 1.00 18.68 ? 611 GLY A CA 1 -ATOM 4692 C C . GLY A 1 653 ? -17.322 30.028 51.880 1.00 21.35 ? 611 GLY A C 1 -ATOM 4693 O O . GLY A 1 653 ? -16.626 29.919 52.900 1.00 20.15 ? 611 GLY A O 1 -ATOM 4694 N N . TYR A 1 654 ? -17.138 31.015 50.999 1.00 17.31 ? 612 TYR A N 1 -ATOM 4695 C CA . TYR A 1 654 ? -16.061 31.986 51.219 1.00 16.77 ? 612 TYR A CA 1 -ATOM 4696 C C . TYR A 1 654 ? -16.583 33.141 52.065 1.00 16.89 ? 612 TYR A C 1 -ATOM 4697 O O . TYR A 1 654 ? -17.552 33.786 51.651 1.00 19.09 ? 612 TYR A O 1 -ATOM 4698 C CB . TYR A 1 654 ? -15.565 32.532 49.889 1.00 15.78 ? 612 TYR A CB 1 -ATOM 4699 C CG . TYR A 1 654 ? -14.864 31.561 48.976 1.00 15.56 ? 612 TYR A CG 1 -ATOM 4700 C CD1 . TYR A 1 654 ? -14.085 30.513 49.448 1.00 16.03 ? 612 TYR A CD1 1 -ATOM 4701 C CD2 . TYR A 1 654 ? -14.986 31.718 47.599 1.00 14.59 ? 612 TYR A CD2 1 -ATOM 4702 C CE1 . TYR A 1 654 ? -13.442 29.653 48.580 1.00 15.07 ? 612 TYR A CE1 1 -ATOM 4703 C CE2 . TYR A 1 654 ? -14.354 30.861 46.718 1.00 11.78 ? 612 TYR A CE2 1 -ATOM 4704 C CZ . TYR A 1 654 ? -13.583 29.835 47.220 1.00 15.67 ? 612 TYR A CZ 1 -ATOM 4705 O OH . TYR A 1 654 ? -12.939 28.997 46.336 1.00 14.93 ? 612 TYR A OH 1 -ATOM 4706 N N . ASP A 1 655 ? -15.927 33.453 53.176 1.00 16.89 ? 613 ASP A N 1 -ATOM 4707 C CA . ASP A 1 655 ? -16.376 34.557 54.010 1.00 21.39 ? 613 ASP A CA 1 -ATOM 4708 C C . ASP A 1 655 ? -16.272 35.912 53.317 1.00 19.98 ? 613 ASP A C 1 -ATOM 4709 O O . ASP A 1 655 ? -17.068 36.796 53.635 1.00 20.46 ? 613 ASP A O 1 -ATOM 4710 C CB . ASP A 1 655 ? -15.557 34.627 55.305 1.00 26.71 ? 613 ASP A CB 1 -ATOM 4711 C CG . ASP A 1 655 ? -14.085 34.892 55.082 1.00 31.75 ? 613 ASP A CG 1 -ATOM 4712 O OD1 . ASP A 1 655 ? -13.521 34.598 54.006 1.00 33.69 ? 613 ASP A OD1 1 -ATOM 4713 O OD2 . ASP A 1 655 ? -13.432 35.404 56.017 1.00 37.61 ? 613 ASP A OD2 1 -ATOM 4714 N N . ASP A 1 656 ? -15.296 36.089 52.423 1.00 15.45 ? 614 ASP A N 1 -ATOM 4715 C CA . ASP A 1 656 ? -15.109 37.366 51.749 1.00 12.77 ? 614 ASP A CA 1 -ATOM 4716 C C . ASP A 1 656 ? -15.759 37.467 50.381 1.00 13.81 ? 614 ASP A C 1 -ATOM 4717 O O . ASP A 1 656 ? -15.536 38.430 49.640 1.00 12.10 ? 614 ASP A O 1 -ATOM 4718 C CB . ASP A 1 656 ? -13.619 37.713 51.696 1.00 13.64 ? 614 ASP A CB 1 -ATOM 4719 C CG . ASP A 1 656 ? -12.726 36.667 51.076 1.00 13.95 ? 614 ASP A CG 1 -ATOM 4720 O OD1 . ASP A 1 656 ? -13.225 35.680 50.506 1.00 12.49 ? 614 ASP A OD1 1 -ATOM 4721 O OD2 . ASP A 1 656 ? -11.493 36.871 51.157 1.00 12.91 ? 614 ASP A OD2 1 -ATOM 4722 N N . CYS A 1 657 ? -16.620 36.520 50.024 1.00 11.38 ? 615 CYS A N 1 -ATOM 4723 C CA . CYS A 1 657 ? -17.411 36.596 48.812 1.00 11.77 ? 615 CYS A CA 1 -ATOM 4724 C C . CYS A 1 657 ? -18.718 35.821 49.025 1.00 14.99 ? 615 CYS A C 1 -ATOM 4725 O O . CYS A 1 657 ? -18.835 34.658 48.661 1.00 15.02 ? 615 CYS A O 1 -ATOM 4726 C CB . CYS A 1 657 ? -16.719 36.119 47.543 1.00 11.79 ? 615 CYS A CB 1 -ATOM 4727 S SG . CYS A 1 657 ? -17.654 36.516 46.034 1.00 14.45 ? 615 CYS A SG 1 -ATOM 4728 N N . PRO A 1 658 ? -19.680 36.487 49.655 1.00 15.75 ? 616 PRO A N 1 -ATOM 4729 C CA . PRO A 1 658 ? -20.981 35.931 49.952 1.00 16.67 ? 616 PRO A CA 1 -ATOM 4730 C C . PRO A 1 658 ? -21.782 35.617 48.699 1.00 15.30 ? 616 PRO A C 1 -ATOM 4731 O O . PRO A 1 658 ? -21.384 35.964 47.583 1.00 12.27 ? 616 PRO A O 1 -ATOM 4732 C CB . PRO A 1 658 ? -21.698 37.008 50.773 1.00 15.87 ? 616 PRO A CB 1 -ATOM 4733 C CG . PRO A 1 658 ? -20.629 37.940 51.220 1.00 18.47 ? 616 PRO A CG 1 -ATOM 4734 C CD . PRO A 1 658 ? -19.564 37.882 50.162 1.00 16.57 ? 616 PRO A CD 1 -ATOM 4735 N N . ALA A 1 659 ? -22.946 34.994 48.887 1.00 11.71 ? 617 ALA A N 1 -ATOM 4736 C CA . ALA A 1 659 ? -23.768 34.531 47.781 1.00 12.12 ? 617 ALA A CA 1 -ATOM 4737 C C . ALA A 1 659 ? -24.701 35.524 47.124 1.00 12.80 ? 617 ALA A C 1 -ATOM 4738 O O . ALA A 1 659 ? -25.388 35.182 46.149 1.00 11.82 ? 617 ALA A O 1 -ATOM 4739 C CB . ALA A 1 659 ? -24.554 33.290 48.231 1.00 16.01 ? 617 ALA A CB 1 -ATOM 4740 N N . HIS A 1 660 ? -24.686 36.772 47.549 1.00 11.40 ? 618 HIS A N 1 -ATOM 4741 C CA . HIS A 1 660 ? -25.409 37.871 46.938 1.00 9.05 ? 618 HIS A CA 1 -ATOM 4742 C C . HIS A 1 660 ? -24.558 39.123 47.198 1.00 9.69 ? 618 HIS A C 1 -ATOM 4743 O O . HIS A 1 660 ? -23.688 39.118 48.073 1.00 11.08 ? 618 HIS A O 1 -ATOM 4744 C CB . HIS A 1 660 ? -26.814 38.057 47.483 1.00 12.35 ? 618 HIS A CB 1 -ATOM 4745 C CG . HIS A 1 660 ? -26.905 38.347 48.945 1.00 14.80 ? 618 HIS A CG 1 -ATOM 4746 N ND1 . HIS A 1 660 ? -26.507 39.541 49.497 1.00 15.10 ? 618 HIS A ND1 1 -ATOM 4747 C CD2 . HIS A 1 660 ? -27.376 37.597 49.978 1.00 17.70 ? 618 HIS A CD2 1 -ATOM 4748 C CE1 . HIS A 1 660 ? -26.705 39.519 50.802 1.00 16.94 ? 618 HIS A CE1 1 -ATOM 4749 N NE2 . HIS A 1 660 ? -27.239 38.351 51.120 1.00 16.70 ? 618 HIS A NE2 1 -ATOM 4750 N N . PRO A 1 661 ? -24.763 40.161 46.414 1.00 9.23 ? 619 PRO A N 1 -ATOM 4751 C CA . PRO A 1 661 ? -24.007 41.404 46.607 1.00 9.02 ? 619 PRO A CA 1 -ATOM 4752 C C . PRO A 1 661 ? -24.127 41.848 48.055 1.00 9.92 ? 619 PRO A C 1 -ATOM 4753 O O . PRO A 1 661 ? -25.223 41.869 48.635 1.00 10.48 ? 619 PRO A O 1 -ATOM 4754 C CB . PRO A 1 661 ? -24.645 42.377 45.636 1.00 9.82 ? 619 PRO A CB 1 -ATOM 4755 C CG . PRO A 1 661 ? -25.391 41.554 44.649 1.00 12.94 ? 619 PRO A CG 1 -ATOM 4756 C CD . PRO A 1 661 ? -25.738 40.242 45.313 1.00 8.50 ? 619 PRO A CD 1 -ATOM 4757 N N . THR A 1 662 ? -23.004 42.169 48.687 1.00 9.57 ? 620 THR A N 1 -ATOM 4758 C CA . THR A 1 662 ? -22.948 42.516 50.101 1.00 10.41 ? 620 THR A CA 1 -ATOM 4759 C C . THR A 1 662 ? -21.947 43.628 50.381 1.00 13.01 ? 620 THR A C 1 -ATOM 4760 O O . THR A 1 662 ? -20.852 43.590 49.815 1.00 14.06 ? 620 THR A O 1 -ATOM 4761 C CB . THR A 1 662 ? -22.481 41.274 50.904 1.00 12.58 ? 620 THR A CB 1 -ATOM 4762 O OG1 . THR A 1 662 ? -23.384 40.187 50.668 1.00 12.05 ? 620 THR A OG1 1 -ATOM 4763 C CG2 . THR A 1 662 ? -22.423 41.516 52.403 1.00 14.56 ? 620 THR A CG2 1 -ATOM 4764 N N . TRP A 1 663 ? -22.283 44.558 51.266 1.00 11.73 ? 621 TRP A N 1 -ATOM 4765 C CA . TRP A 1 663 ? -21.370 45.587 51.717 1.00 13.97 ? 621 TRP A CA 1 -ATOM 4766 C C . TRP A 1 663 ? -20.502 44.981 52.824 1.00 13.45 ? 621 TRP A C 1 -ATOM 4767 O O . TRP A 1 663 ? -21.006 44.455 53.827 1.00 12.55 ? 621 TRP A O 1 -ATOM 4768 C CB . TRP A 1 663 ? -22.075 46.854 52.252 1.00 11.69 ? 621 TRP A CB 1 -ATOM 4769 C CG . TRP A 1 663 ? -21.115 47.723 53.022 1.00 13.61 ? 621 TRP A CG 1 -ATOM 4770 C CD1 . TRP A 1 663 ? -21.024 47.880 54.374 1.00 14.30 ? 621 TRP A CD1 1 -ATOM 4771 C CD2 . TRP A 1 663 ? -20.082 48.548 52.459 1.00 12.25 ? 621 TRP A CD2 1 -ATOM 4772 N NE1 . TRP A 1 663 ? -19.986 48.741 54.689 1.00 14.67 ? 621 TRP A NE1 1 -ATOM 4773 C CE2 . TRP A 1 663 ? -19.397 49.156 53.525 1.00 14.05 ? 621 TRP A CE2 1 -ATOM 4774 C CE3 . TRP A 1 663 ? -19.683 48.823 51.147 1.00 13.59 ? 621 TRP A CE3 1 -ATOM 4775 C CZ2 . TRP A 1 663 ? -18.332 50.035 53.325 1.00 14.70 ? 621 TRP A CZ2 1 -ATOM 4776 C CZ3 . TRP A 1 663 ? -18.618 49.692 50.945 1.00 13.46 ? 621 TRP A CZ3 1 -ATOM 4777 C CH2 . TRP A 1 663 ? -17.967 50.293 52.032 1.00 15.40 ? 621 TRP A CH2 1 -ATOM 4778 N N . MET A 1 664 ? -19.187 45.020 52.642 1.00 12.98 ? 622 MET A N 1 -ATOM 4779 C CA . MET A 1 664 ? -18.245 44.515 53.633 1.00 14.30 ? 622 MET A CA 1 -ATOM 4780 C C . MET A 1 664 ? -17.170 45.571 53.882 1.00 14.39 ? 622 MET A C 1 -ATOM 4781 O O . MET A 1 664 ? -16.796 46.254 52.918 1.00 14.44 ? 622 MET A O 1 -ATOM 4782 C CB . MET A 1 664 ? -17.584 43.214 53.162 1.00 15.00 ? 622 MET A CB 1 -ATOM 4783 C CG . MET A 1 664 ? -18.479 41.979 53.107 1.00 16.28 ? 622 MET A CG 1 -ATOM 4784 S SD . MET A 1 664 ? -17.699 40.608 52.198 1.00 17.85 ? 622 MET A SD 1 -ATOM 4785 C CE . MET A 1 664 ? -17.963 41.210 50.530 1.00 12.68 ? 622 MET A CE 1 -ATOM 4786 N N . GLU A 1 665 ? -16.627 45.693 55.091 1.00 13.74 ? 623 GLU A N 1 -ATOM 4787 C CA . GLU A 1 665 ? -15.564 46.678 55.292 1.00 13.76 ? 623 GLU A CA 1 -ATOM 4788 C C . GLU A 1 665 ? -14.273 46.190 54.629 1.00 11.02 ? 623 GLU A C 1 -ATOM 4789 O O . GLU A 1 665 ? -13.833 45.063 54.855 1.00 10.57 ? 623 GLU A O 1 -ATOM 4790 C CB . GLU A 1 665 ? -15.255 46.923 56.770 1.00 12.18 ? 623 GLU A CB 1 -ATOM 4791 C CG . GLU A 1 665 ? -16.317 47.703 57.522 1.00 13.37 ? 623 GLU A CG 1 -ATOM 4792 C CD . GLU A 1 665 ? -16.333 49.177 57.181 1.00 17.68 ? 623 GLU A CD 1 -ATOM 4793 O OE1 . GLU A 1 665 ? -15.381 49.706 56.566 1.00 15.96 ? 623 GLU A OE1 1 -ATOM 4794 O OE2 . GLU A 1 665 ? -17.349 49.829 57.510 1.00 20.56 ? 623 GLU A OE2 1 -ATOM 4795 N N . PRO A 1 666 ? -13.623 47.069 53.893 1.00 11.26 ? 624 PRO A N 1 -ATOM 4796 C CA . PRO A 1 666 ? -12.359 46.729 53.251 1.00 9.86 ? 624 PRO A CA 1 -ATOM 4797 C C . PRO A 1 666 ? -11.221 46.859 54.246 1.00 10.95 ? 624 PRO A C 1 -ATOM 4798 O O . PRO A 1 666 ? -11.363 47.408 55.350 1.00 10.56 ? 624 PRO A O 1 -ATOM 4799 C CB . PRO A 1 666 ? -12.256 47.753 52.128 1.00 11.83 ? 624 PRO A CB 1 -ATOM 4800 C CG . PRO A 1 666 ? -12.939 48.959 52.691 1.00 13.90 ? 624 PRO A CG 1 -ATOM 4801 C CD . PRO A 1 666 ? -14.063 48.442 53.558 1.00 10.79 ? 624 PRO A CD 1 -ATOM 4802 N N . LEU A 1 667 ? -10.050 46.382 53.870 1.00 9.96 ? 625 LEU A N 1 -ATOM 4803 C CA . LEU A 1 667 ? -8.851 46.460 54.686 1.00 11.89 ? 625 LEU A CA 1 -ATOM 4804 C C . LEU A 1 667 ? -8.634 47.862 55.248 1.00 12.25 ? 625 LEU A C 1 -ATOM 4805 O O . LEU A 1 667 ? -8.329 48.050 56.430 1.00 11.35 ? 625 LEU A O 1 -ATOM 4806 C CB . LEU A 1 667 ? -7.650 46.079 53.804 1.00 10.62 ? 625 LEU A CB 1 -ATOM 4807 C CG . LEU A 1 667 ? -6.295 46.376 54.455 1.00 13.96 ? 625 LEU A CG 1 -ATOM 4808 C CD1 . LEU A 1 667 ? -6.105 45.480 55.675 1.00 14.26 ? 625 LEU A CD1 1 -ATOM 4809 C CD2 . LEU A 1 667 ? -5.169 46.174 53.451 1.00 14.29 ? 625 LEU A CD2 1 -ATOM 4810 N N . GLU A 1 668 ? -8.761 48.875 54.385 1.00 10.33 ? 626 GLU A N 1 -ATOM 4811 C CA . GLU A 1 668 ? -8.617 50.268 54.810 1.00 11.72 ? 626 GLU A CA 1 -ATOM 4812 C C . GLU A 1 668 ? -9.446 51.148 53.884 1.00 11.04 ? 626 GLU A C 1 -ATOM 4813 O O . GLU A 1 668 ? -9.524 50.836 52.688 1.00 12.60 ? 626 GLU A O 1 -ATOM 4814 C CB . GLU A 1 668 ? -7.146 50.692 54.770 1.00 13.67 ? 626 GLU A CB 1 -ATOM 4815 C CG . GLU A 1 668 ? -6.458 50.503 53.423 1.00 13.91 ? 626 GLU A CG 1 -ATOM 4816 C CD . GLU A 1 668 ? -4.945 50.581 53.505 1.00 17.00 ? 626 GLU A CD 1 -ATOM 4817 O OE1 . GLU A 1 668 ? -4.347 49.839 54.309 1.00 17.58 ? 626 GLU A OE1 1 -ATOM 4818 O OE2 . GLU A 1 668 ? -4.305 51.354 52.756 1.00 18.61 ? 626 GLU A OE2 1 -ATOM 4819 N N . ARG A 1 669 ? -10.120 52.170 54.407 1.00 9.93 ? 627 ARG A N 1 -ATOM 4820 C CA . ARG A 1 669 ? -10.869 53.074 53.531 1.00 9.81 ? 627 ARG A CA 1 -ATOM 4821 C C . ARG A 1 669 ? -10.923 54.457 54.191 1.00 12.73 ? 627 ARG A C 1 -ATOM 4822 O O . ARG A 1 669 ? -10.740 54.578 55.409 1.00 10.93 ? 627 ARG A O 1 -ATOM 4823 C CB . ARG A 1 669 ? -12.267 52.600 53.165 1.00 9.18 ? 627 ARG A CB 1 -ATOM 4824 C CG . ARG A 1 669 ? -13.218 52.465 54.355 1.00 10.45 ? 627 ARG A CG 1 -ATOM 4825 C CD . ARG A 1 669 ? -14.657 52.268 53.839 1.00 11.53 ? 627 ARG A CD 1 -ATOM 4826 N NE . ARG A 1 669 ? -15.508 52.011 55.011 1.00 13.03 ? 627 ARG A NE 1 -ATOM 4827 C CZ . ARG A 1 669 ? -16.235 52.992 55.563 1.00 17.31 ? 627 ARG A CZ 1 -ATOM 4828 N NH1 . ARG A 1 669 ? -16.229 54.217 55.059 1.00 15.58 ? 627 ARG A NH1 1 -ATOM 4829 N NH2 . ARG A 1 669 ? -16.962 52.706 56.633 1.00 15.25 ? 627 ARG A NH2 1 -ATOM 4830 N N . LEU A 1 670 ? -11.128 55.463 53.347 1.00 9.28 ? 628 LEU A N 1 -ATOM 4831 C CA . LEU A 1 670 ? -11.169 56.849 53.795 1.00 9.24 ? 628 LEU A CA 1 -ATOM 4832 C C . LEU A 1 670 ? -12.273 57.028 54.827 1.00 10.53 ? 628 LEU A C 1 -ATOM 4833 O O . LEU A 1 670 ? -13.408 56.635 54.558 1.00 9.30 ? 628 LEU A O 1 -ATOM 4834 C CB . LEU A 1 670 ? -11.453 57.738 52.580 1.00 10.61 ? 628 LEU A CB 1 -ATOM 4835 C CG . LEU A 1 670 ? -11.718 59.225 52.861 1.00 11.21 ? 628 LEU A CG 1 -ATOM 4836 C CD1 . LEU A 1 670 ? -10.537 59.850 53.585 1.00 12.22 ? 628 LEU A CD1 1 -ATOM 4837 C CD2 . LEU A 1 670 ? -11.982 59.963 51.549 1.00 11.85 ? 628 LEU A CD2 1 -ATOM 4838 N N . ASP A 1 671 ? -11.948 57.549 56.003 1.00 12.25 ? 629 ASP A N 1 -ATOM 4839 C CA . ASP A 1 671 ? -12.895 57.741 57.091 1.00 14.27 ? 629 ASP A CA 1 -ATOM 4840 C C . ASP A 1 671 ? -13.506 56.443 57.603 1.00 16.35 ? 629 ASP A C 1 -ATOM 4841 O O . ASP A 1 671 ? -14.619 56.439 58.153 1.00 18.28 ? 629 ASP A O 1 -ATOM 4842 C CB . ASP A 1 671 ? -14.009 58.731 56.705 1.00 14.32 ? 629 ASP A CB 1 -ATOM 4843 C CG . ASP A 1 671 ? -13.419 60.111 56.447 1.00 18.49 ? 629 ASP A CG 1 -ATOM 4844 O OD1 . ASP A 1 671 ? -12.329 60.433 56.960 1.00 22.99 ? 629 ASP A OD1 1 -ATOM 4845 O OD2 . ASP A 1 671 ? -14.025 60.889 55.692 1.00 18.87 ? 629 ASP A OD2 1 -ATOM 4846 N N . GLY A 1 672 ? -12.787 55.329 57.452 1.00 13.71 ? 630 GLY A N 1 -ATOM 4847 C CA . GLY A 1 672 ? -13.322 54.052 57.953 1.00 11.82 ? 630 GLY A CA 1 -ATOM 4848 C C . GLY A 1 672 ? -13.019 54.014 59.453 1.00 13.48 ? 630 GLY A C 1 -ATOM 4849 O O . GLY A 1 672 ? -12.130 54.690 59.964 1.00 14.65 ? 630 GLY A O 1 -ATOM 4850 N N . PRO A 1 673 ? -13.786 53.198 60.165 1.00 17.43 ? 631 PRO A N 1 -ATOM 4851 C CA . PRO A 1 673 ? -13.619 53.060 61.597 1.00 18.62 ? 631 PRO A CA 1 -ATOM 4852 C C . PRO A 1 673 ? -12.215 52.574 61.909 1.00 18.52 ? 631 PRO A C 1 -ATOM 4853 O O . PRO A 1 673 ? -11.726 51.581 61.362 1.00 18.72 ? 631 PRO A O 1 -ATOM 4854 C CB . PRO A 1 673 ? -14.705 52.090 62.023 1.00 19.30 ? 631 PRO A CB 1 -ATOM 4855 C CG . PRO A 1 673 ? -15.130 51.390 60.785 1.00 20.22 ? 631 PRO A CG 1 -ATOM 4856 C CD . PRO A 1 673 ? -14.879 52.350 59.645 1.00 15.73 ? 631 PRO A CD 1 -ATOM 4857 N N . GLY A 1 674 ? -11.521 53.350 62.732 1.00 18.11 ? 632 GLY A N 1 -ATOM 4858 C CA . GLY A 1 674 ? -10.162 53.029 63.135 1.00 20.04 ? 632 GLY A CA 1 -ATOM 4859 C C . GLY A 1 674 ? -9.121 53.129 62.040 1.00 19.84 ? 632 GLY A C 1 -ATOM 4860 O O . GLY A 1 674 ? -8.046 52.548 62.196 1.00 19.81 ? 632 GLY A O 1 -ATOM 4861 N N . ALA A 1 675 ? -9.377 53.845 60.953 1.00 17.78 ? 633 ALA A N 1 -ATOM 4862 C CA . ALA A 1 675 ? -8.413 53.985 59.858 1.00 16.46 ? 633 ALA A CA 1 -ATOM 4863 C C . ALA A 1 675 ? -7.191 54.759 60.323 1.00 18.51 ? 633 ALA A C 1 -ATOM 4864 O O . ALA A 1 675 ? -7.331 55.780 61.001 1.00 21.20 ? 633 ALA A O 1 -ATOM 4865 C CB . ALA A 1 675 ? -9.075 54.699 58.681 1.00 13.84 ? 633 ALA A CB 1 -ATOM 4866 N N . LYS A 1 676 ? -5.987 54.297 60.005 1.00 17.37 ? 634 LYS A N 1 -ATOM 4867 C CA . LYS A 1 676 ? -4.783 54.969 60.468 1.00 18.10 ? 634 LYS A CA 1 -ATOM 4868 C C . LYS A 1 676 ? -4.372 56.176 59.645 1.00 18.40 ? 634 LYS A C 1 -ATOM 4869 O O . LYS A 1 676 ? -3.899 57.171 60.204 1.00 20.36 ? 634 LYS A O 1 -ATOM 4870 C CB . LYS A 1 676 ? -3.611 53.967 60.502 1.00 21.11 ? 634 LYS A CB 1 -ATOM 4871 C CG . LYS A 1 676 ? -2.313 54.631 60.960 1.00 23.35 ? 634 LYS A CG 1 -ATOM 4872 C CD . LYS A 1 676 ? -1.223 53.590 61.177 1.00 25.76 ? 634 LYS A CD 1 -ATOM 4873 C CE . LYS A 1 676 ? 0.010 54.240 61.793 1.00 27.90 ? 634 LYS A CE 1 -ATOM 4874 N NZ . LYS A 1 676 ? 1.126 53.253 61.877 1.00 28.35 ? 634 LYS A NZ 1 -ATOM 4875 N N . TYR A 1 677 ? -4.513 56.097 58.328 1.00 15.81 ? 635 TYR A N 1 -ATOM 4876 C CA . TYR A 1 677 ? -4.047 57.199 57.458 1.00 12.87 ? 635 TYR A CA 1 -ATOM 4877 C C . TYR A 1 677 ? -5.220 57.984 56.933 1.00 14.70 ? 635 TYR A C 1 -ATOM 4878 O O . TYR A 1 677 ? -6.344 57.485 56.787 1.00 13.42 ? 635 TYR A O 1 -ATOM 4879 C CB . TYR A 1 677 ? -3.120 56.572 56.412 1.00 15.63 ? 635 TYR A CB 1 -ATOM 4880 C CG . TYR A 1 677 ? -1.804 56.116 57.023 1.00 14.05 ? 635 TYR A CG 1 -ATOM 4881 C CD1 . TYR A 1 677 ? -0.853 57.050 57.412 1.00 15.59 ? 635 TYR A CD1 1 -ATOM 4882 C CD2 . TYR A 1 677 ? -1.528 54.769 57.228 1.00 13.98 ? 635 TYR A CD2 1 -ATOM 4883 C CE1 . TYR A 1 677 ? 0.349 56.664 57.969 1.00 16.30 ? 635 TYR A CE1 1 -ATOM 4884 C CE2 . TYR A 1 677 ? -0.328 54.375 57.796 1.00 14.48 ? 635 TYR A CE2 1 -ATOM 4885 C CZ . TYR A 1 677 ? 0.598 55.320 58.165 1.00 16.23 ? 635 TYR A CZ 1 -ATOM 4886 O OH . TYR A 1 677 ? 1.792 54.930 58.728 1.00 17.86 ? 635 TYR A OH 1 -ATOM 4887 N N . PRO A 1 678 ? -5.044 59.292 56.699 1.00 13.25 ? 636 PRO A N 1 -ATOM 4888 C CA . PRO A 1 678 ? -6.159 60.149 56.354 1.00 12.50 ? 636 PRO A CA 1 -ATOM 4889 C C . PRO A 1 678 ? -6.574 60.371 54.924 1.00 12.96 ? 636 PRO A C 1 -ATOM 4890 O O . PRO A 1 678 ? -7.652 60.946 54.706 1.00 14.85 ? 636 PRO A O 1 -ATOM 4891 C CB . PRO A 1 678 ? -5.692 61.494 56.948 1.00 14.42 ? 636 PRO A CB 1 -ATOM 4892 C CG . PRO A 1 678 ? -4.210 61.473 56.750 1.00 17.15 ? 636 PRO A CG 1 -ATOM 4893 C CD . PRO A 1 678 ? -3.788 60.036 56.936 1.00 13.94 ? 636 PRO A CD 1 -ATOM 4894 N N . LEU A 1 679 ? -5.762 60.031 53.937 1.00 9.69 ? 637 LEU A N 1 -ATOM 4895 C CA . LEU A 1 679 ? -6.068 60.336 52.544 1.00 10.05 ? 637 LEU A CA 1 -ATOM 4896 C C . LEU A 1 679 ? -6.085 59.088 51.662 1.00 10.07 ? 637 LEU A C 1 -ATOM 4897 O O . LEU A 1 679 ? -5.164 58.285 51.770 1.00 10.22 ? 637 LEU A O 1 -ATOM 4898 C CB . LEU A 1 679 ? -4.970 61.243 51.959 1.00 11.00 ? 637 LEU A CB 1 -ATOM 4899 C CG . LEU A 1 679 ? -4.708 62.568 52.687 1.00 14.38 ? 637 LEU A CG 1 -ATOM 4900 C CD1 . LEU A 1 679 ? -3.381 63.175 52.253 1.00 17.33 ? 637 LEU A CD1 1 -ATOM 4901 C CD2 . LEU A 1 679 ? -5.851 63.525 52.390 1.00 16.87 ? 637 LEU A CD2 1 -ATOM 4902 N N . HIS A 1 680 ? -7.084 59.006 50.807 1.00 8.68 ? 638 HIS A N 1 -ATOM 4903 C CA . HIS A 1 680 ? -7.150 57.891 49.856 1.00 9.70 ? 638 HIS A CA 1 -ATOM 4904 C C . HIS A 1 680 ? -6.348 58.264 48.611 1.00 12.04 ? 638 HIS A C 1 -ATOM 4905 O O . HIS A 1 680 ? -6.501 59.400 48.153 1.00 13.37 ? 638 HIS A O 1 -ATOM 4906 C CB . HIS A 1 680 ? -8.615 57.682 49.436 1.00 7.93 ? 638 HIS A CB 1 -ATOM 4907 C CG . HIS A 1 680 ? -8.722 56.541 48.467 1.00 6.70 ? 638 HIS A CG 1 -ATOM 4908 N ND1 . HIS A 1 680 ? -8.994 55.249 48.830 1.00 8.62 ? 638 HIS A ND1 1 -ATOM 4909 C CD2 . HIS A 1 680 ? -8.567 56.551 47.119 1.00 7.85 ? 638 HIS A CD2 1 -ATOM 4910 C CE1 . HIS A 1 680 ? -9.002 54.493 47.737 1.00 10.77 ? 638 HIS A CE1 1 -ATOM 4911 N NE2 . HIS A 1 680 ? -8.746 55.262 46.679 1.00 9.42 ? 638 HIS A NE2 1 -ATOM 4912 N N . ILE A 1 681 ? -5.550 57.346 48.067 1.00 8.84 ? 639 ILE A N 1 -ATOM 4913 C CA . ILE A 1 681 ? -4.816 57.687 46.844 1.00 10.06 ? 639 ILE A CA 1 -ATOM 4914 C C . ILE A 1 681 ? -5.546 57.109 45.635 1.00 11.12 ? 639 ILE A C 1 -ATOM 4915 O O . ILE A 1 681 ? -5.691 55.883 45.566 1.00 9.44 ? 639 ILE A O 1 -ATOM 4916 C CB . ILE A 1 681 ? -3.379 57.130 46.848 1.00 11.66 ? 639 ILE A CB 1 -ATOM 4917 C CG1 . ILE A 1 681 ? -2.662 57.523 48.132 1.00 13.50 ? 639 ILE A CG1 1 -ATOM 4918 C CG2 . ILE A 1 681 ? -2.636 57.617 45.599 1.00 10.67 ? 639 ILE A CG2 1 -ATOM 4919 C CD1 . ILE A 1 681 ? -1.183 57.241 48.200 1.00 15.68 ? 639 ILE A CD1 1 -ATOM 4920 N N . ALA A 1 682 ? -6.093 57.946 44.767 1.00 8.83 ? 640 ALA A N 1 -ATOM 4921 C CA . ALA A 1 682 ? -6.738 57.450 43.548 1.00 9.95 ? 640 ALA A CA 1 -ATOM 4922 C C . ALA A 1 682 ? -5.590 57.017 42.640 1.00 8.80 ? 640 ALA A C 1 -ATOM 4923 O O . ALA A 1 682 ? -5.075 57.831 41.864 1.00 9.65 ? 640 ALA A O 1 -ATOM 4924 C CB . ALA A 1 682 ? -7.579 58.530 42.901 1.00 11.23 ? 640 ALA A CB 1 -ATOM 4925 N N . ALA A 1 683 ? -5.150 55.776 42.734 1.00 7.41 ? 641 ALA A N 1 -ATOM 4926 C CA . ALA A 1 683 ? -3.986 55.270 41.994 1.00 6.91 ? 641 ALA A CA 1 -ATOM 4927 C C . ALA A 1 683 ? -4.407 54.757 40.630 1.00 8.41 ? 641 ALA A C 1 -ATOM 4928 O O . ALA A 1 683 ? -4.295 53.569 40.325 1.00 7.96 ? 641 ALA A O 1 -ATOM 4929 C CB . ALA A 1 683 ? -3.382 54.150 42.842 1.00 8.75 ? 641 ALA A CB 1 -ATOM 4930 N N . SER A 1 684 ? -4.900 55.673 39.801 1.00 7.00 ? 642 SER A N 1 -ATOM 4931 C CA . SER A 1 684 ? -5.555 55.327 38.553 1.00 6.56 ? 642 SER A CA 1 -ATOM 4932 C C . SER A 1 684 ? -4.666 55.426 37.336 1.00 6.14 ? 642 SER A C 1 -ATOM 4933 O O . SER A 1 684 ? -3.454 55.624 37.474 1.00 7.04 ? 642 SER A O 1 -ATOM 4934 C CB . SER A 1 684 ? -6.826 56.191 38.423 1.00 8.61 ? 642 SER A CB 1 -ATOM 4935 O OG . SER A 1 684 ? -6.450 57.545 38.224 1.00 9.15 ? 642 SER A OG 1 -ATOM 4936 N N . HIS A 1 685 ? -5.253 55.219 36.147 1.00 7.04 ? 643 HIS A N 1 -ATOM 4937 C CA . HIS A 1 685 ? -4.415 55.175 34.933 1.00 5.55 ? 643 HIS A CA 1 -ATOM 4938 C C . HIS A 1 685 ? -3.994 56.551 34.457 1.00 6.46 ? 643 HIS A C 1 -ATOM 4939 O O . HIS A 1 685 ? -4.759 57.509 34.455 1.00 8.29 ? 643 HIS A O 1 -ATOM 4940 C CB . HIS A 1 685 ? -5.160 54.356 33.863 1.00 7.92 ? 643 HIS A CB 1 -ATOM 4941 C CG . HIS A 1 685 ? -5.208 52.898 34.252 1.00 6.40 ? 643 HIS A CG 1 -ATOM 4942 N ND1 . HIS A 1 685 ? -5.077 51.887 33.317 1.00 9.04 ? 643 HIS A ND1 1 -ATOM 4943 C CD2 . HIS A 1 685 ? -5.359 52.287 35.444 1.00 8.80 ? 643 HIS A CD2 1 -ATOM 4944 C CE1 . HIS A 1 685 ? -5.139 50.714 33.939 1.00 8.40 ? 643 HIS A CE1 1 -ATOM 4945 N NE2 . HIS A 1 685 ? -5.308 50.938 35.238 1.00 7.85 ? 643 HIS A NE2 1 -ATOM 4946 N N . PRO A 1 686 ? -2.730 56.643 34.051 1.00 6.39 ? 644 PRO A N 1 -ATOM 4947 C CA . PRO A 1 686 ? -2.125 57.902 33.652 1.00 5.95 ? 644 PRO A CA 1 -ATOM 4948 C C . PRO A 1 686 ? -2.722 58.508 32.403 1.00 7.42 ? 644 PRO A C 1 -ATOM 4949 O O . PRO A 1 686 ? -3.039 57.810 31.436 1.00 9.79 ? 644 PRO A O 1 -ATOM 4950 C CB . PRO A 1 686 ? -0.650 57.560 33.471 1.00 8.52 ? 644 PRO A CB 1 -ATOM 4951 C CG . PRO A 1 686 ? -0.634 56.089 33.152 1.00 7.48 ? 644 PRO A CG 1 -ATOM 4952 C CD . PRO A 1 686 ? -1.739 55.540 34.053 1.00 7.36 ? 644 PRO A CD 1 -ATOM 4953 N N . PHE A 1 687 ? -2.845 59.841 32.373 1.00 7.27 ? 645 PHE A N 1 -ATOM 4954 C CA . PHE A 1 687 ? -3.365 60.485 31.172 1.00 7.36 ? 645 PHE A CA 1 -ATOM 4955 C C . PHE A 1 687 ? -2.339 60.483 30.043 1.00 10.92 ? 645 PHE A C 1 -ATOM 4956 O O . PHE A 1 687 ? -2.648 60.196 28.880 1.00 10.97 ? 645 PHE A O 1 -ATOM 4957 C CB . PHE A 1 687 ? -3.762 61.938 31.507 1.00 9.88 ? 645 PHE A CB 1 -ATOM 4958 C CG . PHE A 1 687 ? -4.781 62.468 30.527 1.00 12.23 ? 645 PHE A CG 1 -ATOM 4959 C CD1 . PHE A 1 687 ? -4.384 62.927 29.284 1.00 15.48 ? 645 PHE A CD1 1 -ATOM 4960 C CD2 . PHE A 1 687 ? -6.117 62.526 30.880 1.00 14.28 ? 645 PHE A CD2 1 -ATOM 4961 C CE1 . PHE A 1 687 ? -5.322 63.414 28.390 1.00 16.99 ? 645 PHE A CE1 1 -ATOM 4962 C CE2 . PHE A 1 687 ? -7.057 63.015 29.987 1.00 17.08 ? 645 PHE A CE2 1 -ATOM 4963 C CZ . PHE A 1 687 ? -6.657 63.464 28.744 1.00 16.01 ? 645 PHE A CZ 1 -ATOM 4964 N N . ASN A 1 688 ? -1.091 60.808 30.394 1.00 9.07 ? 646 ASN A N 1 -ATOM 4965 C CA . ASN A 1 688 ? -0.013 60.948 29.441 1.00 9.96 ? 646 ASN A CA 1 -ATOM 4966 C C . ASN A 1 688 ? 1.060 59.871 29.413 1.00 8.75 ? 646 ASN A C 1 -ATOM 4967 O O . ASN A 1 688 ? 2.187 60.081 28.933 1.00 8.68 ? 646 ASN A O 1 -ATOM 4968 C CB . ASN A 1 688 ? 0.668 62.316 29.656 1.00 13.19 ? 646 ASN A CB 1 -ATOM 4969 C CG . ASN A 1 688 ? -0.290 63.416 29.236 1.00 20.36 ? 646 ASN A CG 1 -ATOM 4970 O OD1 . ASN A 1 688 ? -0.711 63.462 28.076 1.00 23.29 ? 646 ASN A OD1 1 -ATOM 4971 N ND2 . ASN A 1 688 ? -0.646 64.246 30.201 1.00 25.73 ? 646 ASN A ND2 1 -ATOM 4972 N N . ARG A 1 689 ? 0.681 58.664 29.802 1.00 6.53 ? 647 ARG A N 1 -ATOM 4973 C CA . ARG A 1 689 ? 1.497 57.469 29.637 1.00 6.88 ? 647 ARG A CA 1 -ATOM 4974 C C . ARG A 1 689 ? 0.506 56.327 29.322 1.00 7.49 ? 647 ARG A C 1 -ATOM 4975 O O . ARG A 1 689 ? -0.697 56.475 29.534 1.00 6.71 ? 647 ARG A O 1 -ATOM 4976 C CB . ARG A 1 689 ? 2.218 57.042 30.924 1.00 6.76 ? 647 ARG A CB 1 -ATOM 4977 C CG . ARG A 1 689 ? 3.423 57.900 31.319 1.00 6.10 ? 647 ARG A CG 1 -ATOM 4978 C CD . ARG A 1 689 ? 4.157 57.221 32.473 1.00 7.51 ? 647 ARG A CD 1 -ATOM 4979 N NE . ARG A 1 689 ? 3.320 57.020 33.660 1.00 8.23 ? 647 ARG A NE 1 -ATOM 4980 C CZ . ARG A 1 689 ? 3.277 57.889 34.672 1.00 10.46 ? 647 ARG A CZ 1 -ATOM 4981 N NH1 . ARG A 1 689 ? 3.981 59.017 34.632 1.00 9.77 ? 647 ARG A NH1 1 -ATOM 4982 N NH2 . ARG A 1 689 ? 2.513 57.656 35.731 1.00 8.55 ? 647 ARG A NH2 1 -ATOM 4983 N N . LEU A 1 690 ? 1.014 55.206 28.859 1.00 6.29 ? 648 LEU A N 1 -ATOM 4984 C CA . LEU A 1 690 ? 0.243 53.961 28.823 1.00 5.83 ? 648 LEU A CA 1 -ATOM 4985 C C . LEU A 1 690 ? 0.936 53.186 29.956 1.00 7.56 ? 648 LEU A C 1 -ATOM 4986 O O . LEU A 1 690 ? 2.056 52.724 29.731 1.00 7.75 ? 648 LEU A O 1 -ATOM 4987 C CB . LEU A 1 690 ? 0.329 53.228 27.495 1.00 6.67 ? 648 LEU A CB 1 -ATOM 4988 C CG . LEU A 1 690 ? -0.083 51.749 27.522 1.00 9.82 ? 648 LEU A CG 1 -ATOM 4989 C CD1 . LEU A 1 690 ? -1.510 51.601 28.023 1.00 12.15 ? 648 LEU A CD1 1 -ATOM 4990 C CD2 . LEU A 1 690 ? 0.063 51.164 26.117 1.00 12.08 ? 648 LEU A CD2 1 -ATOM 4991 N N . HIS A 1 691 ? 0.395 53.172 31.169 1.00 7.36 ? 649 HIS A N 1 -ATOM 4992 C CA . HIS A 1 691 ? 1.078 52.587 32.326 1.00 8.30 ? 649 HIS A CA 1 -ATOM 4993 C C . HIS A 1 691 ? 2.444 53.240 32.543 1.00 7.14 ? 649 HIS A C 1 -ATOM 4994 O O . HIS A 1 691 ? 2.525 54.449 32.781 1.00 7.46 ? 649 HIS A O 1 -ATOM 4995 C CB . HIS A 1 691 ? 1.224 51.066 32.220 1.00 7.12 ? 649 HIS A CB 1 -ATOM 4996 C CG . HIS A 1 691 ? -0.057 50.360 31.895 1.00 6.58 ? 649 HIS A CG 1 -ATOM 4997 N ND1 . HIS A 1 691 ? -1.186 50.475 32.678 1.00 6.70 ? 649 HIS A ND1 1 -ATOM 4998 C CD2 . HIS A 1 691 ? -0.371 49.549 30.859 1.00 5.00 ? 649 HIS A CD2 1 -ATOM 4999 C CE1 . HIS A 1 691 ? -2.149 49.734 32.148 1.00 7.78 ? 649 HIS A CE1 1 -ATOM 5000 N NE2 . HIS A 1 691 ? -1.677 49.164 31.044 1.00 6.21 ? 649 HIS A NE2 1 -ATOM 5001 N N . SER A 1 692 ? 3.538 52.481 32.468 1.00 6.57 ? 650 SER A N 1 -ATOM 5002 C CA . SER A 1 692 ? 4.879 53.017 32.610 1.00 6.74 ? 650 SER A CA 1 -ATOM 5003 C C . SER A 1 692 ? 5.447 53.480 31.273 1.00 6.43 ? 650 SER A C 1 -ATOM 5004 O O . SER A 1 692 ? 6.519 54.094 31.238 1.00 6.15 ? 650 SER A O 1 -ATOM 5005 C CB . SER A 1 692 ? 5.842 51.975 33.218 1.00 7.69 ? 650 SER A CB 1 -ATOM 5006 O OG . SER A 1 692 ? 6.289 51.065 32.213 1.00 7.10 ? 650 SER A OG 1 -ATOM 5007 N N . GLN A 1 693 ? 4.811 53.065 30.170 1.00 5.76 ? 651 GLN A N 1 -ATOM 5008 C CA . GLN A 1 693 ? 5.366 53.361 28.855 1.00 7.62 ? 651 GLN A CA 1 -ATOM 5009 C C . GLN A 1 693 ? 5.404 54.858 28.628 1.00 8.66 ? 651 GLN A C 1 -ATOM 5010 O O . GLN A 1 693 ? 4.444 55.577 28.899 1.00 8.78 ? 651 GLN A O 1 -ATOM 5011 C CB . GLN A 1 693 ? 4.582 52.665 27.725 1.00 6.55 ? 651 GLN A CB 1 -ATOM 5012 C CG . GLN A 1 693 ? 4.601 51.147 27.929 1.00 7.76 ? 651 GLN A CG 1 -ATOM 5013 C CD . GLN A 1 693 ? 4.327 50.365 26.656 1.00 9.45 ? 651 GLN A CD 1 -ATOM 5014 O OE1 . GLN A 1 693 ? 4.891 50.692 25.617 1.00 7.23 ? 651 GLN A OE1 1 -ATOM 5015 N NE2 . GLN A 1 693 ? 3.491 49.328 26.760 1.00 8.36 ? 651 GLN A NE2 1 -ATOM 5016 N N . LEU A 1 694 ? 6.507 55.339 28.083 1.00 7.48 ? 652 LEU A N 1 -ATOM 5017 C CA . LEU A 1 694 ? 6.757 56.736 27.769 1.00 7.25 ? 652 LEU A CA 1 -ATOM 5018 C C . LEU A 1 694 ? 7.167 57.576 28.970 1.00 8.87 ? 652 LEU A C 1 -ATOM 5019 O O . LEU A 1 694 ? 7.379 58.788 28.801 1.00 8.15 ? 652 LEU A O 1 -ATOM 5020 C CB . LEU A 1 694 ? 5.599 57.393 26.999 1.00 9.61 ? 652 LEU A CB 1 -ATOM 5021 C CG . LEU A 1 694 ? 4.994 56.630 25.811 1.00 9.59 ? 652 LEU A CG 1 -ATOM 5022 C CD1 . LEU A 1 694 ? 3.913 57.425 25.110 1.00 9.57 ? 652 LEU A CD1 1 -ATOM 5023 C CD2 . LEU A 1 694 ? 6.075 56.158 24.839 1.00 7.93 ? 652 LEU A CD2 1 -ATOM 5024 N N . ASN A 1 695 ? 7.379 57.009 30.158 1.00 8.11 ? 653 ASN A N 1 -ATOM 5025 C CA . ASN A 1 695 ? 7.838 57.842 31.285 1.00 9.31 ? 653 ASN A CA 1 -ATOM 5026 C C . ASN A 1 695 ? 9.232 58.393 30.971 1.00 9.95 ? 653 ASN A C 1 -ATOM 5027 O O . ASN A 1 695 ? 9.561 59.508 31.372 1.00 9.43 ? 653 ASN A O 1 -ATOM 5028 C CB . ASN A 1 695 ? 7.900 57.053 32.589 1.00 8.05 ? 653 ASN A CB 1 -ATOM 5029 C CG . ASN A 1 695 ? 7.850 57.907 33.846 1.00 11.46 ? 653 ASN A CG 1 -ATOM 5030 O OD1 . ASN A 1 695 ? 7.723 59.139 33.835 1.00 12.84 ? 653 ASN A OD1 1 -ATOM 5031 N ND2 . ASN A 1 695 ? 7.976 57.246 34.983 1.00 7.97 ? 653 ASN A ND2 1 -ATOM 5032 N N . GLY A 1 696 ? 10.066 57.610 30.291 1.00 7.29 ? 654 GLY A N 1 -ATOM 5033 C CA . GLY A 1 696 ? 11.433 58.018 29.976 1.00 9.36 ? 654 GLY A CA 1 -ATOM 5034 C C . GLY A 1 696 ? 11.562 58.687 28.620 1.00 10.32 ? 654 GLY A C 1 -ATOM 5035 O O . GLY A 1 696 ? 12.354 58.294 27.758 1.00 8.89 ? 654 GLY A O 1 -ATOM 5036 N N . THR A 1 697 ? 10.731 59.688 28.366 1.00 9.32 ? 655 THR A N 1 -ATOM 5037 C CA . THR A 1 697 ? 10.688 60.443 27.127 1.00 9.06 ? 655 THR A CA 1 -ATOM 5038 C C . THR A 1 697 ? 10.459 61.929 27.422 1.00 11.99 ? 655 THR A C 1 -ATOM 5039 O O . THR A 1 697 ? 10.182 62.317 28.560 1.00 10.30 ? 655 THR A O 1 -ATOM 5040 C CB . THR A 1 697 ? 9.587 60.016 26.135 1.00 8.96 ? 655 THR A CB 1 -ATOM 5041 O OG1 . THR A 1 697 ? 8.280 60.367 26.618 1.00 9.22 ? 655 THR A OG1 1 -ATOM 5042 C CG2 . THR A 1 697 ? 9.605 58.522 25.822 1.00 6.93 ? 655 THR A CG2 1 -ATOM 5043 N N . VAL A 1 698 ? 10.455 62.733 26.355 1.00 11.48 ? 656 VAL A N 1 -ATOM 5044 C CA . VAL A 1 698 ? 10.228 64.171 26.459 1.00 14.79 ? 656 VAL A CA 1 -ATOM 5045 C C . VAL A 1 698 ? 8.873 64.540 27.028 1.00 13.71 ? 656 VAL A C 1 -ATOM 5046 O O . VAL A 1 698 ? 8.696 65.649 27.550 1.00 11.93 ? 656 VAL A O 1 -ATOM 5047 C CB . VAL A 1 698 ? 10.352 64.881 25.094 1.00 16.02 ? 656 VAL A CB 1 -ATOM 5048 C CG1 . VAL A 1 698 ? 11.779 64.788 24.571 1.00 22.57 ? 656 VAL A CG1 1 -ATOM 5049 C CG2 . VAL A 1 698 ? 9.383 64.277 24.091 1.00 17.84 ? 656 VAL A CG2 1 -ATOM 5050 N N . LEU A 1 699 ? 7.866 63.670 26.971 1.00 11.69 ? 657 LEU A N 1 -ATOM 5051 C CA . LEU A 1 699 ? 6.560 63.955 27.520 1.00 11.98 ? 657 LEU A CA 1 -ATOM 5052 C C . LEU A 1 699 ? 6.600 64.219 29.026 1.00 11.30 ? 657 LEU A C 1 -ATOM 5053 O O . LEU A 1 699 ? 5.735 64.938 29.525 1.00 12.39 ? 657 LEU A O 1 -ATOM 5054 C CB . LEU A 1 699 ? 5.575 62.800 27.307 1.00 14.52 ? 657 LEU A CB 1 -ATOM 5055 C CG . LEU A 1 699 ? 5.158 62.490 25.870 1.00 15.61 ? 657 LEU A CG 1 -ATOM 5056 C CD1 . LEU A 1 699 ? 4.201 61.300 25.841 1.00 15.25 ? 657 LEU A CD1 1 -ATOM 5057 C CD2 . LEU A 1 699 ? 4.518 63.696 25.199 1.00 18.18 ? 657 LEU A CD2 1 -ATOM 5058 N N . ARG A 1 700 ? 7.565 63.636 29.730 1.00 8.18 ? 658 ARG A N 1 -ATOM 5059 C CA . ARG A 1 700 ? 7.668 63.802 31.171 1.00 11.19 ? 658 ARG A CA 1 -ATOM 5060 C C . ARG A 1 700 ? 7.811 65.258 31.588 1.00 13.15 ? 658 ARG A C 1 -ATOM 5061 O O . ARG A 1 700 ? 7.298 65.670 32.631 1.00 13.01 ? 658 ARG A O 1 -ATOM 5062 C CB . ARG A 1 700 ? 8.836 62.985 31.707 1.00 11.71 ? 658 ARG A CB 1 -ATOM 5063 C CG . ARG A 1 700 ? 8.930 62.961 33.229 1.00 11.49 ? 658 ARG A CG 1 -ATOM 5064 C CD . ARG A 1 700 ? 10.042 62.041 33.696 1.00 9.70 ? 658 ARG A CD 1 -ATOM 5065 N NE . ARG A 1 700 ? 11.377 62.593 33.485 1.00 12.92 ? 658 ARG A NE 1 -ATOM 5066 C CZ . ARG A 1 700 ? 12.167 62.379 32.446 1.00 15.14 ? 658 ARG A CZ 1 -ATOM 5067 N NH1 . ARG A 1 700 ? 11.813 61.591 31.430 1.00 13.58 ? 658 ARG A NH1 1 -ATOM 5068 N NH2 . ARG A 1 700 ? 13.367 62.956 32.425 1.00 16.25 ? 658 ARG A NH2 1 -ATOM 5069 N N . GLU A 1 701 ? 8.462 66.067 30.747 1.00 14.31 ? 659 GLU A N 1 -ATOM 5070 C CA . GLU A 1 701 ? 8.619 67.490 31.000 1.00 18.54 ? 659 GLU A CA 1 -ATOM 5071 C C . GLU A 1 701 ? 7.298 68.220 31.167 1.00 16.98 ? 659 GLU A C 1 -ATOM 5072 O O . GLU A 1 701 ? 7.206 69.227 31.879 1.00 19.18 ? 659 GLU A O 1 -ATOM 5073 C CB . GLU A 1 701 ? 9.381 68.145 29.826 1.00 20.39 ? 659 GLU A CB 1 -ATOM 5074 C CG . GLU A 1 701 ? 9.543 69.650 30.026 1.00 25.99 ? 659 GLU A CG 1 -ATOM 5075 C CD . GLU A 1 701 ? 10.627 69.991 31.029 1.00 28.94 ? 659 GLU A CD 1 -ATOM 5076 O OE1 . GLU A 1 701 ? 11.335 69.070 31.491 1.00 29.72 ? 659 GLU A OE1 1 -ATOM 5077 O OE2 . GLU A 1 701 ? 10.791 71.191 31.361 1.00 33.07 ? 659 GLU A OE2 1 -ATOM 5078 N N . GLY A 1 702 ? 6.251 67.765 30.490 1.00 14.19 ? 660 GLY A N 1 -ATOM 5079 C CA . GLY A 1 702 ? 4.940 68.365 30.528 1.00 15.66 ? 660 GLY A CA 1 -ATOM 5080 C C . GLY A 1 702 ? 4.169 68.136 31.813 1.00 16.46 ? 660 GLY A C 1 -ATOM 5081 O O . GLY A 1 702 ? 3.210 68.884 32.046 1.00 17.93 ? 660 GLY A O 1 -ATOM 5082 N N . TYR A 1 703 ? 4.521 67.135 32.623 1.00 12.18 ? 661 TYR A N 1 -ATOM 5083 C CA . TYR A 1 703 ? 3.744 66.890 33.832 1.00 11.51 ? 661 TYR A CA 1 -ATOM 5084 C C . TYR A 1 703 ? 4.579 66.712 35.089 1.00 11.60 ? 661 TYR A C 1 -ATOM 5085 O O . TYR A 1 703 ? 3.985 66.746 36.179 1.00 12.66 ? 661 TYR A O 1 -ATOM 5086 C CB . TYR A 1 703 ? 2.850 65.660 33.644 1.00 12.03 ? 661 TYR A CB 1 -ATOM 5087 C CG . TYR A 1 703 ? 3.535 64.366 33.267 1.00 11.70 ? 661 TYR A CG 1 -ATOM 5088 C CD1 . TYR A 1 703 ? 4.200 63.596 34.210 1.00 11.76 ? 661 TYR A CD1 1 -ATOM 5089 C CD2 . TYR A 1 703 ? 3.490 63.901 31.956 1.00 10.73 ? 661 TYR A CD2 1 -ATOM 5090 C CE1 . TYR A 1 703 ? 4.816 62.406 33.869 1.00 12.01 ? 661 TYR A CE1 1 -ATOM 5091 C CE2 . TYR A 1 703 ? 4.097 62.703 31.599 1.00 7.36 ? 661 TYR A CE2 1 -ATOM 5092 C CZ . TYR A 1 703 ? 4.754 61.963 32.562 1.00 10.30 ? 661 TYR A CZ 1 -ATOM 5093 O OH . TYR A 1 703 ? 5.378 60.797 32.203 1.00 9.23 ? 661 TYR A OH 1 -ATOM 5094 N N . ALA A 1 704 ? 5.885 66.496 34.994 1.00 10.38 ? 662 ALA A N 1 -ATOM 5095 C CA . ALA A 1 704 ? 6.664 66.315 36.222 1.00 12.53 ? 662 ALA A CA 1 -ATOM 5096 C C . ALA A 1 704 ? 6.672 67.618 37.026 1.00 13.80 ? 662 ALA A C 1 -ATOM 5097 O O . ALA A 1 704 ? 6.502 68.719 36.493 1.00 12.01 ? 662 ALA A O 1 -ATOM 5098 C CB . ALA A 1 704 ? 8.088 65.868 35.941 1.00 14.95 ? 662 ALA A CB 1 -ATOM 5099 N N . VAL A 1 705 ? 6.769 67.471 38.342 1.00 12.65 ? 663 VAL A N 1 -ATOM 5100 C CA . VAL A 1 705 ? 6.800 68.605 39.268 1.00 12.54 ? 663 VAL A CA 1 -ATOM 5101 C C . VAL A 1 705 ? 8.102 68.510 40.053 1.00 12.93 ? 663 VAL A C 1 -ATOM 5102 O O . VAL A 1 705 ? 8.359 67.571 40.804 1.00 10.92 ? 663 VAL A O 1 -ATOM 5103 C CB . VAL A 1 705 ? 5.594 68.649 40.211 1.00 14.24 ? 663 VAL A CB 1 -ATOM 5104 C CG1 . VAL A 1 705 ? 5.757 69.806 41.198 1.00 16.80 ? 663 VAL A CG1 1 -ATOM 5105 C CG2 . VAL A 1 705 ? 4.294 68.800 39.437 1.00 14.78 ? 663 VAL A CG2 1 -ATOM 5106 N N . GLN A 1 706 ? 9.031 69.427 39.761 1.00 13.26 ? 664 GLN A N 1 -ATOM 5107 C CA . GLN A 1 706 ? 10.390 69.375 40.267 1.00 14.32 ? 664 GLN A CA 1 -ATOM 5108 C C . GLN A 1 706 ? 11.011 68.019 39.918 1.00 14.33 ? 664 GLN A C 1 -ATOM 5109 O O . GLN A 1 706 ? 11.766 67.466 40.720 1.00 14.62 ? 664 GLN A O 1 -ATOM 5110 C CB . GLN A 1 706 ? 10.496 69.629 41.772 1.00 19.96 ? 664 GLN A CB 1 -ATOM 5111 C CG . GLN A 1 706 ? 9.942 70.970 42.215 1.00 24.92 ? 664 GLN A CG 1 -ATOM 5112 C CD . GLN A 1 706 ? 10.724 71.611 43.343 1.00 32.21 ? 664 GLN A CD 1 -ATOM 5113 O OE1 . GLN A 1 706 ? 11.942 71.459 43.463 1.00 35.07 ? 664 GLN A OE1 1 -ATOM 5114 N NE2 . GLN A 1 706 ? 10.030 72.357 44.204 1.00 32.35 ? 664 GLN A NE2 1 -ATOM 5115 N N . GLY A 1 707 ? 10.719 67.461 38.744 1.00 14.33 ? 665 GLY A N 1 -ATOM 5116 C CA . GLY A 1 707 ? 11.245 66.191 38.321 1.00 13.14 ? 665 GLY A CA 1 -ATOM 5117 C C . GLY A 1 707 ? 10.505 64.962 38.821 1.00 13.75 ? 665 GLY A C 1 -ATOM 5118 O O . GLY A 1 707 ? 10.826 63.862 38.333 1.00 12.13 ? 665 GLY A O 1 -ATOM 5119 N N . HIS A 1 708 ? 9.556 65.087 39.742 1.00 12.85 ? 666 HIS A N 1 -ATOM 5120 C CA . HIS A 1 708 ? 8.862 63.926 40.287 1.00 9.55 ? 666 HIS A CA 1 -ATOM 5121 C C . HIS A 1 708 ? 7.482 63.722 39.677 1.00 11.37 ? 666 HIS A C 1 -ATOM 5122 O O . HIS A 1 708 ? 6.952 64.597 39.003 1.00 11.84 ? 666 HIS A O 1 -ATOM 5123 C CB . HIS A 1 708 ? 8.674 64.069 41.812 1.00 11.18 ? 666 HIS A CB 1 -ATOM 5124 C CG . HIS A 1 708 ? 9.936 64.469 42.521 1.00 12.31 ? 666 HIS A CG 1 -ATOM 5125 N ND1 . HIS A 1 708 ? 10.843 63.564 43.008 1.00 12.83 ? 666 HIS A ND1 1 -ATOM 5126 C CD2 . HIS A 1 708 ? 10.433 65.696 42.812 1.00 13.37 ? 666 HIS A CD2 1 -ATOM 5127 C CE1 . HIS A 1 708 ? 11.852 64.210 43.572 1.00 14.65 ? 666 HIS A CE1 1 -ATOM 5128 N NE2 . HIS A 1 708 ? 11.628 65.515 43.467 1.00 12.33 ? 666 HIS A NE2 1 -ATOM 5129 N N . GLU A 1 709 ? 6.910 62.534 39.925 1.00 10.06 ? 667 GLU A N 1 -ATOM 5130 C CA . GLU A 1 709 ? 5.538 62.283 39.430 1.00 8.26 ? 667 GLU A CA 1 -ATOM 5131 C C . GLU A 1 709 ? 4.608 63.247 40.151 1.00 9.52 ? 667 GLU A C 1 -ATOM 5132 O O . GLU A 1 709 ? 4.813 63.489 41.341 1.00 10.34 ? 667 GLU A O 1 -ATOM 5133 C CB . GLU A 1 709 ? 5.177 60.840 39.776 1.00 9.22 ? 667 GLU A CB 1 -ATOM 5134 C CG . GLU A 1 709 ? 3.784 60.372 39.384 1.00 7.40 ? 667 GLU A CG 1 -ATOM 5135 C CD . GLU A 1 709 ? 3.622 60.137 37.896 1.00 9.29 ? 667 GLU A CD 1 -ATOM 5136 O OE1 . GLU A 1 709 ? 4.625 60.103 37.151 1.00 10.00 ? 667 GLU A OE1 1 -ATOM 5137 O OE2 . GLU A 1 709 ? 2.467 59.994 37.448 1.00 8.88 ? 667 GLU A OE2 1 -ATOM 5138 N N . PRO A 1 710 ? 3.612 63.799 39.475 1.00 9.54 ? 668 PRO A N 1 -ATOM 5139 C CA . PRO A 1 710 ? 2.686 64.736 40.079 1.00 9.77 ? 668 PRO A CA 1 -ATOM 5140 C C . PRO A 1 710 ? 1.716 64.064 41.035 1.00 12.30 ? 668 PRO A C 1 -ATOM 5141 O O . PRO A 1 710 ? 1.322 62.903 40.898 1.00 11.77 ? 668 PRO A O 1 -ATOM 5142 C CB . PRO A 1 710 ? 1.952 65.353 38.897 1.00 10.71 ? 668 PRO A CB 1 -ATOM 5143 C CG . PRO A 1 710 ? 2.064 64.355 37.798 1.00 11.72 ? 668 PRO A CG 1 -ATOM 5144 C CD . PRO A 1 710 ? 3.362 63.622 38.028 1.00 9.99 ? 668 PRO A CD 1 -ATOM 5145 N N . CYS A 1 711 ? 1.326 64.820 42.052 1.00 9.25 ? 669 CYS A N 1 -ATOM 5146 C CA . CYS A 1 711 ? 0.359 64.436 43.063 1.00 11.45 ? 669 CYS A CA 1 -ATOM 5147 C C . CYS A 1 711 ? -0.698 65.545 43.121 1.00 12.30 ? 669 CYS A C 1 -ATOM 5148 O O . CYS A 1 711 ? -0.305 66.675 43.431 1.00 12.92 ? 669 CYS A O 1 -ATOM 5149 C CB . CYS A 1 711 ? 1.025 64.308 44.437 1.00 12.21 ? 669 CYS A CB 1 -ATOM 5150 S SG . CYS A 1 711 ? -0.160 63.985 45.775 1.00 16.47 ? 669 CYS A SG 1 -ATOM 5151 N N . LEU A 1 712 ? -1.943 65.283 42.764 1.00 10.20 ? 670 LEU A N 1 -ATOM 5152 C CA . LEU A 1 712 ? -2.983 66.297 42.806 1.00 10.80 ? 670 LEU A CA 1 -ATOM 5153 C C . LEU A 1 712 ? -3.571 66.345 44.220 1.00 14.44 ? 670 LEU A C 1 -ATOM 5154 O O . LEU A 1 712 ? -3.912 65.278 44.734 1.00 11.39 ? 670 LEU A O 1 -ATOM 5155 C CB . LEU A 1 712 ? -4.125 65.993 41.834 1.00 11.86 ? 670 LEU A CB 1 -ATOM 5156 C CG . LEU A 1 712 ? -3.788 65.957 40.344 1.00 16.88 ? 670 LEU A CG 1 -ATOM 5157 C CD1 . LEU A 1 712 ? -5.060 65.901 39.506 1.00 16.19 ? 670 LEU A CD1 1 -ATOM 5158 C CD2 . LEU A 1 712 ? -2.927 67.141 39.946 1.00 15.47 ? 670 LEU A CD2 1 -ATOM 5159 N N . MET A 1 713 ? -3.659 67.531 44.807 1.00 10.36 ? 671 MET A N 1 -ATOM 5160 C CA . MET A 1 713 ? -4.171 67.624 46.180 1.00 10.00 ? 671 MET A CA 1 -ATOM 5161 C C . MET A 1 713 ? -5.139 68.797 46.309 1.00 9.61 ? 671 MET A C 1 -ATOM 5162 O O . MET A 1 713 ? -4.941 69.832 45.673 1.00 10.60 ? 671 MET A O 1 -ATOM 5163 C CB . MET A 1 713 ? -2.972 67.785 47.120 1.00 14.17 ? 671 MET A CB 1 -ATOM 5164 C CG . MET A 1 713 ? -3.318 67.868 48.592 1.00 20.17 ? 671 MET A CG 1 -ATOM 5165 S SD . MET A 1 713 ? -1.863 67.886 49.660 1.00 27.22 ? 671 MET A SD 1 -ATOM 5166 C CE . MET A 1 713 ? -1.004 66.418 49.137 1.00 26.58 ? 671 MET A CE 1 -ATOM 5167 N N . HIS A 1 714 ? -6.219 68.577 47.044 1.00 10.85 ? 672 HIS A N 1 -ATOM 5168 C CA . HIS A 1 714 ? -7.221 69.625 47.267 1.00 14.09 ? 672 HIS A CA 1 -ATOM 5169 C C . HIS A 1 714 ? -6.603 70.754 48.084 1.00 13.73 ? 672 HIS A C 1 -ATOM 5170 O O . HIS A 1 714 ? -5.793 70.517 48.980 1.00 13.37 ? 672 HIS A O 1 -ATOM 5171 C CB . HIS A 1 714 ? -8.396 69.005 48.029 1.00 14.00 ? 672 HIS A CB 1 -ATOM 5172 C CG . HIS A 1 714 ? -9.609 69.881 48.110 1.00 16.89 ? 672 HIS A CG 1 -ATOM 5173 N ND1 . HIS A 1 714 ? -9.726 70.886 49.055 1.00 18.99 ? 672 HIS A ND1 1 -ATOM 5174 C CD2 . HIS A 1 714 ? -10.727 69.925 47.352 1.00 14.00 ? 672 HIS A CD2 1 -ATOM 5175 C CE1 . HIS A 1 714 ? -10.894 71.490 48.882 1.00 17.81 ? 672 HIS A CE1 1 -ATOM 5176 N NE2 . HIS A 1 714 ? -11.527 70.931 47.868 1.00 18.10 ? 672 HIS A NE2 1 -ATOM 5177 N N . PRO A 1 715 ? -6.993 71.996 47.822 1.00 14.59 ? 673 PRO A N 1 -ATOM 5178 C CA . PRO A 1 715 ? -6.484 73.144 48.555 1.00 16.58 ? 673 PRO A CA 1 -ATOM 5179 C C . PRO A 1 715 ? -6.553 73.027 50.068 1.00 15.51 ? 673 PRO A C 1 -ATOM 5180 O O . PRO A 1 715 ? -5.607 73.427 50.751 1.00 15.64 ? 673 PRO A O 1 -ATOM 5181 C CB . PRO A 1 715 ? -7.378 74.301 48.104 1.00 16.58 ? 673 PRO A CB 1 -ATOM 5182 C CG . PRO A 1 715 ? -7.955 73.893 46.798 1.00 19.02 ? 673 PRO A CG 1 -ATOM 5183 C CD . PRO A 1 715 ? -7.954 72.389 46.770 1.00 15.75 ? 673 PRO A CD 1 -ATOM 5184 N N . ASP A 1 716 ? -7.663 72.546 50.623 1.00 14.65 ? 674 ASP A N 1 -ATOM 5185 C CA . ASP A 1 716 ? -7.821 72.438 52.068 1.00 19.07 ? 674 ASP A CA 1 -ATOM 5186 C C . ASP A 1 716 ? -6.895 71.405 52.693 1.00 18.61 ? 674 ASP A C 1 -ATOM 5187 O O . ASP A 1 716 ? -6.430 71.562 53.823 1.00 16.71 ? 674 ASP A O 1 -ATOM 5188 C CB . ASP A 1 716 ? -9.262 72.074 52.426 1.00 22.68 ? 674 ASP A CB 1 -ATOM 5189 C CG . ASP A 1 716 ? -10.274 73.165 52.155 1.00 25.90 ? 674 ASP A CG 1 -ATOM 5190 O OD1 . ASP A 1 716 ? -9.896 74.278 51.738 1.00 27.61 ? 674 ASP A OD1 1 -ATOM 5191 O OD2 . ASP A 1 716 ? -11.476 72.894 52.366 1.00 28.60 ? 674 ASP A OD2 1 -ATOM 5192 N N . ASP A 1 717 ? -6.656 70.305 51.965 1.00 17.12 ? 675 ASP A N 1 -ATOM 5193 C CA . ASP A 1 717 ? -5.754 69.275 52.470 1.00 12.61 ? 675 ASP A CA 1 -ATOM 5194 C C . ASP A 1 717 ? -4.330 69.814 52.376 1.00 12.90 ? 675 ASP A C 1 -ATOM 5195 O O . ASP A 1 717 ? -3.512 69.500 53.238 1.00 15.82 ? 675 ASP A O 1 -ATOM 5196 C CB . ASP A 1 717 ? -5.883 67.973 51.679 1.00 14.05 ? 675 ASP A CB 1 -ATOM 5197 C CG . ASP A 1 717 ? -7.190 67.249 51.945 1.00 18.38 ? 675 ASP A CG 1 -ATOM 5198 O OD1 . ASP A 1 717 ? -7.648 67.231 53.113 1.00 18.55 ? 675 ASP A OD1 1 -ATOM 5199 O OD2 . ASP A 1 717 ? -7.772 66.686 50.993 1.00 16.21 ? 675 ASP A OD2 1 -ATOM 5200 N N . ALA A 1 718 ? -4.030 70.594 51.331 1.00 11.68 ? 676 ALA A N 1 -ATOM 5201 C CA . ALA A 1 718 ? -2.689 71.163 51.238 1.00 14.99 ? 676 ALA A CA 1 -ATOM 5202 C C . ALA A 1 718 ? -2.491 72.219 52.332 1.00 17.24 ? 676 ALA A C 1 -ATOM 5203 O O . ALA A 1 718 ? -1.476 72.217 53.034 1.00 18.99 ? 676 ALA A O 1 -ATOM 5204 C CB . ALA A 1 718 ? -2.447 71.795 49.876 1.00 15.31 ? 676 ALA A CB 1 -ATOM 5205 N N . ALA A 1 719 ? -3.480 73.092 52.509 1.00 19.82 ? 677 ALA A N 1 -ATOM 5206 C CA . ALA A 1 719 ? -3.356 74.137 53.534 1.00 20.79 ? 677 ALA A CA 1 -ATOM 5207 C C . ALA A 1 719 ? -3.150 73.568 54.929 1.00 20.50 ? 677 ALA A C 1 -ATOM 5208 O O . ALA A 1 719 ? -2.263 74.036 55.659 1.00 20.08 ? 677 ALA A O 1 -ATOM 5209 C CB . ALA A 1 719 ? -4.558 75.065 53.507 1.00 19.95 ? 677 ALA A CB 1 -ATOM 5210 N N . ALA A 1 720 ? -3.838 72.499 55.320 1.00 20.33 ? 678 ALA A N 1 -ATOM 5211 C CA . ALA A 1 720 ? -3.682 71.901 56.641 1.00 18.20 ? 678 ALA A CA 1 -ATOM 5212 C C . ALA A 1 720 ? -2.282 71.382 56.929 1.00 21.32 ? 678 ALA A C 1 -ATOM 5213 O O . ALA A 1 720 ? -1.868 71.242 58.087 1.00 18.53 ? 678 ALA A O 1 -ATOM 5214 C CB . ALA A 1 720 ? -4.713 70.793 56.829 1.00 18.90 ? 678 ALA A CB 1 -ATOM 5215 N N . ARG A 1 721 ? -1.506 71.083 55.895 1.00 17.41 ? 679 ARG A N 1 -ATOM 5216 C CA . ARG A 1 721 ? -0.164 70.562 56.012 1.00 18.72 ? 679 ARG A CA 1 -ATOM 5217 C C . ARG A 1 721 ? 0.906 71.594 55.712 1.00 18.45 ? 679 ARG A C 1 -ATOM 5218 O O . ARG A 1 721 ? 2.096 71.263 55.700 1.00 18.98 ? 679 ARG A O 1 -ATOM 5219 C CB . ARG A 1 721 ? -0.031 69.382 55.014 1.00 18.67 ? 679 ARG A CB 1 -ATOM 5220 C CG . ARG A 1 721 ? -0.837 68.178 55.475 1.00 20.49 ? 679 ARG A CG 1 -ATOM 5221 C CD . ARG A 1 721 ? -1.106 67.178 54.342 1.00 19.19 ? 679 ARG A CD 1 -ATOM 5222 N NE . ARG A 1 721 ? -1.803 66.031 54.924 1.00 16.71 ? 679 ARG A NE 1 -ATOM 5223 C CZ . ARG A 1 721 ? -3.096 65.970 55.184 1.00 17.05 ? 679 ARG A CZ 1 -ATOM 5224 N NH1 . ARG A 1 721 ? -3.927 66.965 54.894 1.00 18.50 ? 679 ARG A NH1 1 -ATOM 5225 N NH2 . ARG A 1 721 ? -3.573 64.866 55.750 1.00 18.37 ? 679 ARG A NH2 1 -ATOM 5226 N N . GLY A 1 722 ? 0.493 72.818 55.386 1.00 17.85 ? 680 GLY A N 1 -ATOM 5227 C CA . GLY A 1 722 ? 1.457 73.869 55.050 1.00 20.08 ? 680 GLY A CA 1 -ATOM 5228 C C . GLY A 1 722 ? 2.162 73.564 53.734 1.00 21.08 ? 680 GLY A C 1 -ATOM 5229 O O . GLY A 1 722 ? 3.353 73.836 53.568 1.00 23.57 ? 680 GLY A O 1 -ATOM 5230 N N . ILE A 1 723 ? 1.426 72.978 52.795 1.00 18.47 ? 681 ILE A N 1 -ATOM 5231 C CA . ILE A 1 723 ? 1.964 72.600 51.495 1.00 17.11 ? 681 ILE A CA 1 -ATOM 5232 C C . ILE A 1 723 ? 1.502 73.592 50.438 1.00 17.17 ? 681 ILE A C 1 -ATOM 5233 O O . ILE A 1 723 ? 0.323 73.951 50.377 1.00 19.42 ? 681 ILE A O 1 -ATOM 5234 C CB . ILE A 1 723 ? 1.512 71.172 51.119 1.00 17.70 ? 681 ILE A CB 1 -ATOM 5235 C CG1 . ILE A 1 723 ? 2.286 70.134 51.935 1.00 16.35 ? 681 ILE A CG1 1 -ATOM 5236 C CG2 . ILE A 1 723 ? 1.712 70.927 49.627 1.00 17.66 ? 681 ILE A CG2 1 -ATOM 5237 C CD1 . ILE A 1 723 ? 1.706 68.732 51.884 1.00 17.96 ? 681 ILE A CD1 1 -ATOM 5238 N N . ALA A 1 724 ? 2.432 74.042 49.598 1.00 18.41 ? 682 ALA A N 1 -ATOM 5239 C CA . ALA A 1 724 ? 2.101 74.984 48.540 1.00 20.00 ? 682 ALA A CA 1 -ATOM 5240 C C . ALA A 1 724 ? 2.254 74.319 47.172 1.00 19.70 ? 682 ALA A C 1 -ATOM 5241 O O . ALA A 1 724 ? 3.004 73.354 47.045 1.00 19.99 ? 682 ALA A O 1 -ATOM 5242 C CB . ALA A 1 724 ? 3.010 76.205 48.621 1.00 20.68 ? 682 ALA A CB 1 -ATOM 5243 N N . ASP A 1 725 ? 1.554 74.846 46.179 1.00 20.12 ? 683 ASP A N 1 -ATOM 5244 C CA . ASP A 1 725 ? 1.637 74.314 44.824 1.00 20.61 ? 683 ASP A CA 1 -ATOM 5245 C C . ASP A 1 725 ? 3.081 74.227 44.364 1.00 20.19 ? 683 ASP A C 1 -ATOM 5246 O O . ASP A 1 725 ? 3.826 75.206 44.494 1.00 18.97 ? 683 ASP A O 1 -ATOM 5247 C CB . ASP A 1 725 ? 0.829 75.197 43.867 1.00 23.39 ? 683 ASP A CB 1 -ATOM 5248 C CG . ASP A 1 725 ? 0.775 74.599 42.474 1.00 27.11 ? 683 ASP A CG 1 -ATOM 5249 O OD1 . ASP A 1 725 ? -0.016 73.654 42.282 1.00 26.77 ? 683 ASP A OD1 1 -ATOM 5250 O OD2 . ASP A 1 725 ? 1.531 75.052 41.590 1.00 28.32 ? 683 ASP A OD2 1 -ATOM 5251 N N . GLY A 1 726 ? 3.512 73.062 43.864 1.00 16.46 ? 684 GLY A N 1 -ATOM 5252 C CA . GLY A 1 726 ? 4.884 72.927 43.399 1.00 16.39 ? 684 GLY A CA 1 -ATOM 5253 C C . GLY A 1 726 ? 5.859 72.331 44.397 1.00 17.99 ? 684 GLY A C 1 -ATOM 5254 O O . GLY A 1 726 ? 6.987 71.994 44.016 1.00 18.29 ? 684 GLY A O 1 -ATOM 5255 N N . ASP A 1 727 ? 5.473 72.168 45.659 1.00 14.92 ? 685 ASP A N 1 -ATOM 5256 C CA . ASP A 1 727 ? 6.342 71.610 46.675 1.00 13.84 ? 685 ASP A CA 1 -ATOM 5257 C C . ASP A 1 727 ? 6.616 70.119 46.433 1.00 16.04 ? 685 ASP A C 1 -ATOM 5258 O O . ASP A 1 727 ? 5.753 69.408 45.921 1.00 17.78 ? 685 ASP A O 1 -ATOM 5259 C CB . ASP A 1 727 ? 5.691 71.702 48.063 1.00 17.18 ? 685 ASP A CB 1 -ATOM 5260 C CG . ASP A 1 727 ? 5.812 73.062 48.721 1.00 20.65 ? 685 ASP A CG 1 -ATOM 5261 O OD1 . ASP A 1 727 ? 6.534 73.926 48.182 1.00 21.80 ? 685 ASP A OD1 1 -ATOM 5262 O OD2 . ASP A 1 727 ? 5.185 73.257 49.779 1.00 20.86 ? 685 ASP A OD2 1 -ATOM 5263 N N . VAL A 1 728 ? 7.777 69.669 46.891 1.00 14.69 ? 686 VAL A N 1 -ATOM 5264 C CA . VAL A 1 728 ? 8.096 68.235 46.838 1.00 13.06 ? 686 VAL A CA 1 -ATOM 5265 C C . VAL A 1 728 ? 7.542 67.672 48.148 1.00 14.42 ? 686 VAL A C 1 -ATOM 5266 O O . VAL A 1 728 ? 7.716 68.311 49.194 1.00 13.60 ? 686 VAL A O 1 -ATOM 5267 C CB . VAL A 1 728 ? 9.598 67.988 46.712 1.00 15.48 ? 686 VAL A CB 1 -ATOM 5268 C CG1 . VAL A 1 728 ? 9.955 66.520 46.912 1.00 14.29 ? 686 VAL A CG1 1 -ATOM 5269 C CG2 . VAL A 1 728 ? 10.088 68.453 45.340 1.00 16.68 ? 686 VAL A CG2 1 -ATOM 5270 N N . VAL A 1 729 ? 6.791 66.583 48.109 1.00 11.92 ? 687 VAL A N 1 -ATOM 5271 C CA . VAL A 1 729 ? 6.188 66.027 49.311 1.00 11.94 ? 687 VAL A CA 1 -ATOM 5272 C C . VAL A 1 729 ? 6.547 64.553 49.482 1.00 13.04 ? 687 VAL A C 1 -ATOM 5273 O O . VAL A 1 729 ? 6.775 63.885 48.471 1.00 14.08 ? 687 VAL A O 1 -ATOM 5274 C CB . VAL A 1 729 ? 4.649 66.123 49.309 1.00 12.32 ? 687 VAL A CB 1 -ATOM 5275 C CG1 . VAL A 1 729 ? 4.186 67.578 49.295 1.00 13.99 ? 687 VAL A CG1 1 -ATOM 5276 C CG2 . VAL A 1 729 ? 4.041 65.375 48.122 1.00 12.95 ? 687 VAL A CG2 1 -ATOM 5277 N N . ARG A 1 730 ? 6.558 64.086 50.724 1.00 13.09 ? 688 ARG A N 1 -ATOM 5278 C CA . ARG A 1 730 ? 6.784 62.668 50.995 1.00 12.96 ? 688 ARG A CA 1 -ATOM 5279 C C . ARG A 1 730 ? 5.413 62.040 51.278 1.00 13.82 ? 688 ARG A C 1 -ATOM 5280 O O . ARG A 1 730 ? 4.691 62.507 52.162 1.00 13.20 ? 688 ARG A O 1 -ATOM 5281 C CB . ARG A 1 730 ? 7.694 62.412 52.189 1.00 13.73 ? 688 ARG A CB 1 -ATOM 5282 C CG . ARG A 1 730 ? 8.068 60.948 52.367 1.00 16.43 ? 688 ARG A CG 1 -ATOM 5283 C CD . ARG A 1 730 ? 9.061 60.746 53.507 1.00 21.87 ? 688 ARG A CD 1 -ATOM 5284 N NE . ARG A 1 730 ? 8.430 60.990 54.799 1.00 23.01 ? 688 ARG A NE 1 -ATOM 5285 C CZ . ARG A 1 730 ? 8.129 60.081 55.713 1.00 23.00 ? 688 ARG A CZ 1 -ATOM 5286 N NH1 . ARG A 1 730 ? 8.397 58.795 55.558 1.00 23.59 ? 688 ARG A NH1 1 -ATOM 5287 N NH2 . ARG A 1 730 ? 7.550 60.470 56.844 1.00 21.72 ? 688 ARG A NH2 1 -ATOM 5288 N N . VAL A 1 731 ? 5.037 61.038 50.495 1.00 11.66 ? 689 VAL A N 1 -ATOM 5289 C CA . VAL A 1 731 ? 3.754 60.354 50.673 1.00 10.63 ? 689 VAL A CA 1 -ATOM 5290 C C . VAL A 1 731 ? 4.059 59.009 51.323 1.00 12.71 ? 689 VAL A C 1 -ATOM 5291 O O . VAL A 1 731 ? 4.908 58.292 50.784 1.00 12.45 ? 689 VAL A O 1 -ATOM 5292 C CB . VAL A 1 731 ? 3.046 60.174 49.318 1.00 10.03 ? 689 VAL A CB 1 -ATOM 5293 C CG1 . VAL A 1 731 ? 1.646 59.600 49.500 1.00 10.89 ? 689 VAL A CG1 1 -ATOM 5294 C CG2 . VAL A 1 731 ? 2.961 61.525 48.605 1.00 13.01 ? 689 VAL A CG2 1 -ATOM 5295 N N . HIS A 1 732 ? 3.491 58.689 52.487 1.00 10.09 ? 690 HIS A N 1 -ATOM 5296 C CA . HIS A 1 732 ? 3.901 57.463 53.158 1.00 10.96 ? 690 HIS A CA 1 -ATOM 5297 C C . HIS A 1 732 ? 2.821 56.772 53.972 1.00 9.68 ? 690 HIS A C 1 -ATOM 5298 O O . HIS A 1 732 ? 1.826 57.372 54.383 1.00 13.11 ? 690 HIS A O 1 -ATOM 5299 C CB . HIS A 1 732 ? 5.092 57.825 54.082 1.00 15.28 ? 690 HIS A CB 1 -ATOM 5300 C CG . HIS A 1 732 ? 4.667 58.782 55.163 1.00 18.90 ? 690 HIS A CG 1 -ATOM 5301 N ND1 . HIS A 1 732 ? 4.396 58.368 56.444 1.00 19.44 ? 690 HIS A ND1 1 -ATOM 5302 C CD2 . HIS A 1 732 ? 4.442 60.118 55.140 1.00 19.32 ? 690 HIS A CD2 1 -ATOM 5303 C CE1 . HIS A 1 732 ? 4.031 59.404 57.176 1.00 20.10 ? 690 HIS A CE1 1 -ATOM 5304 N NE2 . HIS A 1 732 ? 4.047 60.478 56.405 1.00 20.96 ? 690 HIS A NE2 1 -ATOM 5305 N N . ASN A 1 733 ? 3.013 55.475 54.191 1.00 10.17 ? 691 ASN A N 1 -ATOM 5306 C CA . ASN A 1 733 ? 2.083 54.702 55.035 1.00 11.22 ? 691 ASN A CA 1 -ATOM 5307 C C . ASN A 1 733 ? 2.893 53.599 55.704 1.00 10.67 ? 691 ASN A C 1 -ATOM 5308 O O . ASN A 1 733 ? 4.125 53.720 55.711 1.00 13.47 ? 691 ASN A O 1 -ATOM 5309 C CB . ASN A 1 733 ? 0.850 54.221 54.296 1.00 11.89 ? 691 ASN A CB 1 -ATOM 5310 C CG . ASN A 1 733 ? 1.098 53.310 53.109 1.00 11.25 ? 691 ASN A CG 1 -ATOM 5311 O OD1 . ASN A 1 733 ? 2.173 52.720 53.023 1.00 9.65 ? 691 ASN A OD1 1 -ATOM 5312 N ND2 . ASN A 1 733 ? 0.117 53.225 52.218 1.00 9.08 ? 691 ASN A ND2 1 -ATOM 5313 N N . ASP A 1 734 ? 2.286 52.530 56.225 1.00 13.29 ? 692 ASP A N 1 -ATOM 5314 C CA . ASP A 1 734 ? 3.113 51.514 56.883 1.00 14.18 ? 692 ASP A CA 1 -ATOM 5315 C C . ASP A 1 734 ? 3.886 50.636 55.906 1.00 15.24 ? 692 ASP A C 1 -ATOM 5316 O O . ASP A 1 734 ? 4.810 49.925 56.336 1.00 14.92 ? 692 ASP A O 1 -ATOM 5317 C CB . ASP A 1 734 ? 2.296 50.631 57.830 1.00 16.90 ? 692 ASP A CB 1 -ATOM 5318 C CG . ASP A 1 734 ? 1.554 51.388 58.919 1.00 22.36 ? 692 ASP A CG 1 -ATOM 5319 O OD1 . ASP A 1 734 ? 2.066 52.415 59.406 1.00 23.43 ? 692 ASP A OD1 1 -ATOM 5320 O OD2 . ASP A 1 734 ? 0.435 50.948 59.281 1.00 25.52 ? 692 ASP A OD2 1 -ATOM 5321 N N . ARG A 1 735 ? 3.521 50.617 54.634 1.00 11.86 ? 693 ARG A N 1 -ATOM 5322 C CA . ARG A 1 735 ? 4.187 49.775 53.650 1.00 12.38 ? 693 ARG A CA 1 -ATOM 5323 C C . ARG A 1 735 ? 5.325 50.451 52.905 1.00 13.48 ? 693 ARG A C 1 -ATOM 5324 O O . ARG A 1 735 ? 6.249 49.736 52.482 1.00 14.54 ? 693 ARG A O 1 -ATOM 5325 C CB . ARG A 1 735 ? 3.139 49.276 52.644 1.00 11.56 ? 693 ARG A CB 1 -ATOM 5326 C CG . ARG A 1 735 ? 2.025 48.475 53.342 1.00 11.34 ? 693 ARG A CG 1 -ATOM 5327 C CD . ARG A 1 735 ? 0.997 48.040 52.308 1.00 8.71 ? 693 ARG A CD 1 -ATOM 5328 N NE . ARG A 1 735 ? -0.167 48.842 52.266 1.00 2.05 ? 693 ARG A NE 1 -ATOM 5329 C CZ . ARG A 1 735 ? -1.314 49.351 52.545 1.00 10.32 ? 693 ARG A CZ 1 -ATOM 5330 N NH1 . ARG A 1 735 ? -1.896 48.813 53.598 1.00 13.22 ? 693 ARG A NH1 1 -ATOM 5331 N NH2 . ARG A 1 735 ? -1.797 50.321 51.790 1.00 14.31 ? 693 ARG A NH2 1 -ATOM 5332 N N . GLY A 1 736 ? 5.310 51.781 52.760 1.00 12.15 ? 694 GLY A N 1 -ATOM 5333 C CA . GLY A 1 736 ? 6.424 52.419 52.052 1.00 10.61 ? 694 GLY A CA 1 -ATOM 5334 C C . GLY A 1 736 ? 6.373 53.940 52.086 1.00 12.01 ? 694 GLY A C 1 -ATOM 5335 O O . GLY A 1 736 ? 5.501 54.531 52.717 1.00 10.42 ? 694 GLY A O 1 -ATOM 5336 N N . GLN A 1 737 ? 7.284 54.568 51.350 1.00 10.74 ? 695 GLN A N 1 -ATOM 5337 C CA . GLN A 1 737 ? 7.385 56.024 51.300 1.00 10.24 ? 695 GLN A CA 1 -ATOM 5338 C C . GLN A 1 737 ? 7.950 56.420 49.943 1.00 11.24 ? 695 GLN A C 1 -ATOM 5339 O O . GLN A 1 737 ? 8.859 55.767 49.413 1.00 10.72 ? 695 GLN A O 1 -ATOM 5340 C CB . GLN A 1 737 ? 8.305 56.571 52.401 1.00 8.53 ? 695 GLN A CB 1 -ATOM 5341 C CG . GLN A 1 737 ? 9.627 55.820 52.521 1.00 12.76 ? 695 GLN A CG 1 -ATOM 5342 C CD . GLN A 1 737 ? 10.675 56.502 53.375 1.00 15.41 ? 695 GLN A CD 1 -ATOM 5343 O OE1 . GLN A 1 737 ? 10.523 57.632 53.860 1.00 15.90 ? 695 GLN A OE1 1 -ATOM 5344 N NE2 . GLN A 1 737 ? 11.813 55.829 53.562 1.00 14.38 ? 695 GLN A NE2 1 -ATOM 5345 N N . ILE A 1 738 ? 7.332 57.423 49.325 1.00 10.38 ? 696 ILE A N 1 -ATOM 5346 C CA . ILE A 1 738 ? 7.752 57.905 48.017 1.00 9.62 ? 696 ILE A CA 1 -ATOM 5347 C C . ILE A 1 738 ? 7.758 59.441 47.999 1.00 11.41 ? 696 ILE A C 1 -ATOM 5348 O O . ILE A 1 738 ? 7.107 60.080 48.823 1.00 13.14 ? 696 ILE A O 1 -ATOM 5349 C CB . ILE A 1 738 ? 6.827 57.428 46.876 1.00 8.10 ? 696 ILE A CB 1 -ATOM 5350 C CG1 . ILE A 1 738 ? 5.466 58.145 46.947 1.00 8.38 ? 696 ILE A CG1 1 -ATOM 5351 C CG2 . ILE A 1 738 ? 6.573 55.916 46.877 1.00 7.87 ? 696 ILE A CG2 1 -ATOM 5352 C CD1 . ILE A 1 738 ? 4.505 57.763 45.824 1.00 10.15 ? 696 ILE A CD1 1 -ATOM 5353 N N . LEU A 1 739 ? 8.488 60.034 47.056 1.00 8.22 ? 697 LEU A N 1 -ATOM 5354 C CA . LEU A 1 739 ? 8.447 61.470 46.833 1.00 8.89 ? 697 LEU A CA 1 -ATOM 5355 C C . LEU A 1 739 ? 7.605 61.770 45.598 1.00 12.11 ? 697 LEU A C 1 -ATOM 5356 O O . LEU A 1 739 ? 7.707 61.053 44.597 1.00 14.24 ? 697 LEU A O 1 -ATOM 5357 C CB . LEU A 1 739 ? 9.837 62.066 46.583 1.00 10.43 ? 697 LEU A CB 1 -ATOM 5358 C CG . LEU A 1 739 ? 10.831 61.922 47.741 1.00 13.07 ? 697 LEU A CG 1 -ATOM 5359 C CD1 . LEU A 1 739 ? 12.149 62.605 47.367 1.00 13.42 ? 697 LEU A CD1 1 -ATOM 5360 C CD2 . LEU A 1 739 ? 10.256 62.476 49.034 1.00 12.22 ? 697 LEU A CD2 1 -ATOM 5361 N N . THR A 1 740 ? 6.770 62.794 45.638 1.00 9.12 ? 698 THR A N 1 -ATOM 5362 C CA . THR A 1 740 ? 6.000 63.235 44.485 1.00 8.78 ? 698 THR A CA 1 -ATOM 5363 C C . THR A 1 740 ? 6.062 64.774 44.494 1.00 12.67 ? 698 THR A C 1 -ATOM 5364 O O . THR A 1 740 ? 6.548 65.343 45.477 1.00 15.88 ? 698 THR A O 1 -ATOM 5365 C CB . THR A 1 740 ? 4.524 62.809 44.443 1.00 10.05 ? 698 THR A CB 1 -ATOM 5366 O OG1 . THR A 1 740 ? 3.842 63.204 45.647 1.00 12.81 ? 698 THR A OG1 1 -ATOM 5367 C CG2 . THR A 1 740 ? 4.363 61.304 44.253 1.00 14.41 ? 698 THR A CG2 1 -ATOM 5368 N N . GLY A 1 741 ? 5.607 65.406 43.428 1.00 10.77 ? 699 GLY A N 1 -ATOM 5369 C CA . GLY A 1 741 ? 5.586 66.884 43.389 1.00 11.99 ? 699 GLY A CA 1 -ATOM 5370 C C . GLY A 1 741 ? 4.118 67.297 43.363 1.00 13.26 ? 699 GLY A C 1 -ATOM 5371 O O . GLY A 1 741 ? 3.354 66.749 42.566 1.00 11.44 ? 699 GLY A O 1 -ATOM 5372 N N . VAL A 1 742 ? 3.701 68.238 44.211 1.00 12.25 ? 700 VAL A N 1 -ATOM 5373 C CA . VAL A 1 742 ? 2.291 68.577 44.299 1.00 14.16 ? 700 VAL A CA 1 -ATOM 5374 C C . VAL A 1 742 ? 1.774 69.653 43.366 1.00 15.45 ? 700 VAL A C 1 -ATOM 5375 O O . VAL A 1 742 ? 2.423 70.655 43.084 1.00 12.75 ? 700 VAL A O 1 -ATOM 5376 C CB . VAL A 1 742 ? 1.949 69.036 45.743 1.00 17.94 ? 700 VAL A CB 1 -ATOM 5377 C CG1 . VAL A 1 742 ? 0.484 69.402 45.893 1.00 19.99 ? 700 VAL A CG1 1 -ATOM 5378 C CG2 . VAL A 1 742 ? 2.271 67.913 46.708 1.00 23.00 ? 700 VAL A CG2 1 -ATOM 5379 N N . LYS A 1 743 ? 0.568 69.417 42.877 1.00 14.90 ? 701 LYS A N 1 -ATOM 5380 C CA . LYS A 1 743 ? -0.236 70.342 42.105 1.00 17.42 ? 701 LYS A CA 1 -ATOM 5381 C C . LYS A 1 743 ? -1.530 70.522 42.916 1.00 17.37 ? 701 LYS A C 1 -ATOM 5382 O O . LYS A 1 743 ? -2.245 69.545 43.154 1.00 14.64 ? 701 LYS A O 1 -ATOM 5383 C CB . LYS A 1 743 ? -0.584 69.856 40.700 1.00 22.72 ? 701 LYS A CB 1 -ATOM 5384 C CG . LYS A 1 743 ? 0.615 69.638 39.795 1.00 30.79 ? 701 LYS A CG 1 -ATOM 5385 C CD . LYS A 1 743 ? 0.210 69.155 38.406 1.00 35.97 ? 701 LYS A CD 1 -ATOM 5386 C CE . LYS A 1 743 ? 1.442 68.744 37.606 1.00 38.18 ? 701 LYS A CE 1 -ATOM 5387 N NZ . LYS A 1 743 ? 1.128 68.290 36.226 1.00 38.14 ? 701 LYS A NZ 1 -ATOM 5388 N N . VAL A 1 744 ? -1.773 71.732 43.400 1.00 14.14 ? 702 VAL A N 1 -ATOM 5389 C CA . VAL A 1 744 ? -2.957 72.022 44.202 1.00 16.07 ? 702 VAL A CA 1 -ATOM 5390 C C . VAL A 1 744 ? -4.130 72.332 43.285 1.00 17.66 ? 702 VAL A C 1 -ATOM 5391 O O . VAL A 1 744 ? -4.029 73.162 42.371 1.00 19.12 ? 702 VAL A O 1 -ATOM 5392 C CB . VAL A 1 744 ? -2.722 73.181 45.190 1.00 16.49 ? 702 VAL A CB 1 -ATOM 5393 C CG1 . VAL A 1 744 ? -4.004 73.538 45.927 1.00 20.00 ? 702 VAL A CG1 1 -ATOM 5394 C CG2 . VAL A 1 744 ? -1.622 72.811 46.180 1.00 19.16 ? 702 VAL A CG2 1 -ATOM 5395 N N . THR A 1 745 ? -5.225 71.594 43.451 1.00 13.60 ? 703 THR A N 1 -ATOM 5396 C CA . THR A 1 745 ? -6.390 71.718 42.617 1.00 14.60 ? 703 THR A CA 1 -ATOM 5397 C C . THR A 1 745 ? -7.663 71.250 43.338 1.00 14.96 ? 703 THR A C 1 -ATOM 5398 O O . THR A 1 745 ? -7.577 70.153 43.908 1.00 13.02 ? 703 THR A O 1 -ATOM 5399 C CB . THR A 1 745 ? -6.471 70.670 41.461 1.00 18.64 ? 703 THR A CB 1 -ATOM 5400 O OG1 . THR A 1 745 ? -5.238 70.133 41.044 1.00 25.96 ? 703 THR A OG1 1 -ATOM 5401 C CG2 . THR A 1 745 ? -7.353 71.217 40.377 1.00 10.34 ? 703 THR A CG2 1 -ATOM 5402 N N . ASP A 1 746 ? -8.809 71.869 43.081 1.00 13.28 ? 704 ASP A N 1 -ATOM 5403 C CA . ASP A 1 746 ? -10.050 71.329 43.634 1.00 17.30 ? 704 ASP A CA 1 -ATOM 5404 C C . ASP A 1 746 ? -10.686 70.299 42.694 1.00 17.97 ? 704 ASP A C 1 -ATOM 5405 O O . ASP A 1 746 ? -11.826 69.861 42.894 1.00 13.80 ? 704 ASP A O 1 -ATOM 5406 C CB . ASP A 1 746 ? -11.071 72.396 44.004 1.00 20.67 ? 704 ASP A CB 1 -ATOM 5407 C CG . ASP A 1 746 ? -11.572 73.215 42.836 1.00 24.58 ? 704 ASP A CG 1 -ATOM 5408 O OD1 . ASP A 1 746 ? -11.213 72.939 41.677 1.00 22.51 ? 704 ASP A OD1 1 -ATOM 5409 O OD2 . ASP A 1 746 ? -12.344 74.166 43.097 1.00 29.22 ? 704 ASP A OD2 1 -ATOM 5410 N N . ALA A 1 747 ? -9.932 69.828 41.697 1.00 14.55 ? 705 ALA A N 1 -ATOM 5411 C CA . ALA A 1 747 ? -10.372 68.766 40.812 1.00 14.63 ? 705 ALA A CA 1 -ATOM 5412 C C . ALA A 1 747 ? -10.479 67.449 41.587 1.00 14.88 ? 705 ALA A C 1 -ATOM 5413 O O . ALA A 1 747 ? -11.326 66.628 41.234 1.00 16.63 ? 705 ALA A O 1 -ATOM 5414 C CB . ALA A 1 747 ? -9.414 68.571 39.644 1.00 16.15 ? 705 ALA A CB 1 -ATOM 5415 N N . VAL A 1 748 ? -9.653 67.251 42.616 1.00 13.80 ? 706 VAL A N 1 -ATOM 5416 C CA . VAL A 1 748 ? -9.798 66.057 43.447 1.00 11.94 ? 706 VAL A CA 1 -ATOM 5417 C C . VAL A 1 748 ? -10.662 66.459 44.651 1.00 14.06 ? 706 VAL A C 1 -ATOM 5418 O O . VAL A 1 748 ? -10.489 67.568 45.170 1.00 12.35 ? 706 VAL A O 1 -ATOM 5419 C CB . VAL A 1 748 ? -8.492 65.456 43.961 1.00 13.80 ? 706 VAL A CB 1 -ATOM 5420 C CG1 . VAL A 1 748 ? -7.683 64.820 42.833 1.00 16.85 ? 706 VAL A CG1 1 -ATOM 5421 C CG2 . VAL A 1 748 ? -7.649 66.507 44.682 1.00 13.96 ? 706 VAL A CG2 1 -ATOM 5422 N N . MET A 1 749 ? -11.545 65.561 45.080 1.00 12.50 ? 707 MET A N 1 -ATOM 5423 C CA . MET A 1 749 ? -12.389 65.857 46.238 1.00 13.16 ? 707 MET A CA 1 -ATOM 5424 C C . MET A 1 749 ? -11.535 65.868 47.500 1.00 14.23 ? 707 MET A C 1 -ATOM 5425 O O . MET A 1 749 ? -10.465 65.252 47.579 1.00 11.06 ? 707 MET A O 1 -ATOM 5426 C CB . MET A 1 749 ? -13.518 64.825 46.377 1.00 12.86 ? 707 MET A CB 1 -ATOM 5427 C CG . MET A 1 749 ? -12.976 63.434 46.707 1.00 13.28 ? 707 MET A CG 1 -ATOM 5428 S SD . MET A 1 749 ? -14.271 62.186 46.831 1.00 13.63 ? 707 MET A SD 1 -ATOM 5429 C CE . MET A 1 749 ? -14.934 62.524 48.456 1.00 17.12 ? 707 MET A CE 1 -ATOM 5430 N N . LYS A 1 750 ? -12.003 66.600 48.519 1.00 13.38 ? 708 LYS A N 1 -ATOM 5431 C CA . LYS A 1 750 ? -11.274 66.638 49.781 1.00 13.55 ? 708 LYS A CA 1 -ATOM 5432 C C . LYS A 1 750 ? -11.139 65.234 50.365 1.00 11.82 ? 708 LYS A C 1 -ATOM 5433 O O . LYS A 1 750 ? -12.084 64.449 50.328 1.00 13.76 ? 708 LYS A O 1 -ATOM 5434 C CB . LYS A 1 750 ? -12.026 67.545 50.772 1.00 20.51 ? 708 LYS A CB 1 -ATOM 5435 C CG . LYS A 1 750 ? -11.278 67.703 52.087 1.00 26.76 ? 708 LYS A CG 1 -ATOM 5436 C CD . LYS A 1 750 ? -11.255 69.140 52.566 1.00 31.90 ? 708 LYS A CD 1 -ATOM 5437 C CE . LYS A 1 750 ? -11.421 69.281 54.062 1.00 35.62 ? 708 LYS A CE 1 -ATOM 5438 N NZ . LYS A 1 750 ? -11.104 68.042 54.821 1.00 39.52 ? 708 LYS A NZ 1 -ATOM 5439 N N . GLY A 1 751 ? -9.950 64.886 50.838 1.00 11.06 ? 709 GLY A N 1 -ATOM 5440 C CA . GLY A 1 751 ? -9.673 63.578 51.413 1.00 12.35 ? 709 GLY A CA 1 -ATOM 5441 C C . GLY A 1 751 ? -9.054 62.612 50.404 1.00 13.44 ? 709 GLY A C 1 -ATOM 5442 O O . GLY A 1 751 ? -8.690 61.504 50.781 1.00 13.40 ? 709 GLY A O 1 -ATOM 5443 N N . VAL A 1 752 ? -8.951 63.020 49.142 1.00 9.97 ? 710 VAL A N 1 -ATOM 5444 C CA . VAL A 1 752 ? -8.409 62.156 48.095 1.00 10.60 ? 710 VAL A CA 1 -ATOM 5445 C C . VAL A 1 752 ? -7.241 62.834 47.386 1.00 10.80 ? 710 VAL A C 1 -ATOM 5446 O O . VAL A 1 752 ? -7.306 64.041 47.092 1.00 12.19 ? 710 VAL A O 1 -ATOM 5447 C CB . VAL A 1 752 ? -9.504 61.853 47.053 1.00 11.51 ? 710 VAL A CB 1 -ATOM 5448 C CG1 . VAL A 1 752 ? -8.932 61.118 45.840 1.00 13.32 ? 710 VAL A CG1 1 -ATOM 5449 C CG2 . VAL A 1 752 ? -10.662 61.047 47.636 1.00 10.33 ? 710 VAL A CG2 1 -ATOM 5450 N N . ILE A 1 753 ? -6.162 62.106 47.126 1.00 8.03 ? 711 ILE A N 1 -ATOM 5451 C CA . ILE A 1 753 ? -5.054 62.657 46.332 1.00 8.58 ? 711 ILE A CA 1 -ATOM 5452 C C . ILE A 1 753 ? -4.948 61.786 45.073 1.00 11.90 ? 711 ILE A C 1 -ATOM 5453 O O . ILE A 1 753 ? -5.356 60.626 45.131 1.00 13.32 ? 711 ILE A O 1 -ATOM 5454 C CB . ILE A 1 753 ? -3.719 62.765 47.059 1.00 11.05 ? 711 ILE A CB 1 -ATOM 5455 C CG1 . ILE A 1 753 ? -3.220 61.408 47.564 1.00 11.59 ? 711 ILE A CG1 1 -ATOM 5456 C CG2 . ILE A 1 753 ? -3.851 63.761 48.218 1.00 10.78 ? 711 ILE A CG2 1 -ATOM 5457 C CD1 . ILE A 1 753 ? -1.919 61.492 48.358 1.00 10.59 ? 711 ILE A CD1 1 -ATOM 5458 N N . GLN A 1 754 ? -4.495 62.340 43.957 1.00 8.85 ? 712 GLN A N 1 -ATOM 5459 C CA . GLN A 1 754 ? -4.362 61.519 42.748 1.00 7.62 ? 712 GLN A CA 1 -ATOM 5460 C C . GLN A 1 754 ? -2.891 61.347 42.401 1.00 9.59 ? 712 GLN A C 1 -ATOM 5461 O O . GLN A 1 754 ? -2.169 62.322 42.177 1.00 9.07 ? 712 GLN A O 1 -ATOM 5462 C CB . GLN A 1 754 ? -5.084 62.141 41.546 1.00 7.92 ? 712 GLN A CB 1 -ATOM 5463 C CG . GLN A 1 754 ? -5.009 61.258 40.291 1.00 9.24 ? 712 GLN A CG 1 -ATOM 5464 C CD . GLN A 1 754 ? -5.647 61.968 39.112 1.00 8.91 ? 712 GLN A CD 1 -ATOM 5465 O OE1 . GLN A 1 754 ? -6.835 61.796 38.863 1.00 11.55 ? 712 GLN A OE1 1 -ATOM 5466 N NE2 . GLN A 1 754 ? -4.852 62.777 38.414 1.00 11.32 ? 712 GLN A NE2 1 -ATOM 5467 N N . ILE A 1 755 ? -2.420 60.099 42.415 1.00 8.59 ? 713 ILE A N 1 -ATOM 5468 C CA . ILE A 1 755 ? -1.064 59.787 41.966 1.00 9.32 ? 713 ILE A CA 1 -ATOM 5469 C C . ILE A 1 755 ? -1.244 58.613 40.998 1.00 9.21 ? 713 ILE A C 1 -ATOM 5470 O O . ILE A 1 755 ? -1.592 57.520 41.441 1.00 9.62 ? 713 ILE A O 1 -ATOM 5471 C CB . ILE A 1 755 ? -0.090 59.397 43.081 1.00 8.71 ? 713 ILE A CB 1 -ATOM 5472 C CG1 . ILE A 1 755 ? 0.082 60.539 44.097 1.00 7.62 ? 713 ILE A CG1 1 -ATOM 5473 C CG2 . ILE A 1 755 ? 1.280 59.058 42.479 1.00 10.83 ? 713 ILE A CG2 1 -ATOM 5474 C CD1 . ILE A 1 755 ? 0.695 60.091 45.411 1.00 10.20 ? 713 ILE A CD1 1 -ATOM 5475 N N . TYR A 1 756 ? -1.089 58.845 39.706 1.00 8.11 ? 714 TYR A N 1 -ATOM 5476 C CA . TYR A 1 756 ? -1.320 57.763 38.744 1.00 7.20 ? 714 TYR A CA 1 -ATOM 5477 C C . TYR A 1 756 ? -0.337 56.608 38.881 1.00 8.18 ? 714 TYR A C 1 -ATOM 5478 O O . TYR A 1 756 ? 0.841 56.800 39.236 1.00 10.28 ? 714 TYR A O 1 -ATOM 5479 C CB . TYR A 1 756 ? -1.149 58.381 37.364 1.00 6.25 ? 714 TYR A CB 1 -ATOM 5480 C CG . TYR A 1 756 ? -2.211 59.315 36.850 1.00 8.51 ? 714 TYR A CG 1 -ATOM 5481 C CD1 . TYR A 1 756 ? -3.570 59.097 37.010 1.00 7.28 ? 714 TYR A CD1 1 -ATOM 5482 C CD2 . TYR A 1 756 ? -1.793 60.457 36.148 1.00 7.52 ? 714 TYR A CD2 1 -ATOM 5483 C CE1 . TYR A 1 756 ? -4.504 59.970 36.473 1.00 8.42 ? 714 TYR A CE1 1 -ATOM 5484 C CE2 . TYR A 1 756 ? -2.719 61.324 35.606 1.00 7.08 ? 714 TYR A CE2 1 -ATOM 5485 C CZ . TYR A 1 756 ? -4.063 61.079 35.768 1.00 8.48 ? 714 TYR A CZ 1 -ATOM 5486 O OH . TYR A 1 756 ? -4.973 61.947 35.218 1.00 12.20 ? 714 TYR A OH 1 -ATOM 5487 N N . GLU A 1 757 ? -0.783 55.422 38.462 1.00 7.28 ? 715 GLU A N 1 -ATOM 5488 C CA . GLU A 1 757 ? 0.121 54.278 38.397 1.00 7.00 ? 715 GLU A CA 1 -ATOM 5489 C C . GLU A 1 757 ? 1.069 54.494 37.206 1.00 7.68 ? 715 GLU A C 1 -ATOM 5490 O O . GLU A 1 757 ? 0.761 55.292 36.306 1.00 7.35 ? 715 GLU A O 1 -ATOM 5491 C CB . GLU A 1 757 ? -0.629 52.951 38.218 1.00 6.80 ? 715 GLU A CB 1 -ATOM 5492 C CG . GLU A 1 757 ? -1.586 52.868 37.034 1.00 7.36 ? 715 GLU A CG 1 -ATOM 5493 C CD . GLU A 1 757 ? -1.070 52.204 35.781 1.00 9.55 ? 715 GLU A CD 1 -ATOM 5494 O OE1 . GLU A 1 757 ? 0.160 52.043 35.597 1.00 8.24 ? 715 GLU A OE1 1 -ATOM 5495 O OE2 . GLU A 1 757 ? -1.888 51.852 34.892 1.00 8.00 ? 715 GLU A OE2 1 -ATOM 5496 N N . GLY A 1 758 ? 2.186 53.782 37.200 1.00 7.79 ? 716 GLY A N 1 -ATOM 5497 C CA . GLY A 1 758 ? 3.124 53.804 36.092 1.00 5.83 ? 716 GLY A CA 1 -ATOM 5498 C C . GLY A 1 758 ? 4.433 54.533 36.289 1.00 8.94 ? 716 GLY A C 1 -ATOM 5499 O O . GLY A 1 758 ? 5.316 54.440 35.414 1.00 8.37 ? 716 GLY A O 1 -ATOM 5500 N N . GLY A 1 759 ? 4.598 55.230 37.418 1.00 8.06 ? 717 GLY A N 1 -ATOM 5501 C CA . GLY A 1 759 ? 5.863 55.968 37.625 1.00 6.80 ? 717 GLY A CA 1 -ATOM 5502 C C . GLY A 1 759 ? 7.045 55.029 37.796 1.00 9.45 ? 717 GLY A C 1 -ATOM 5503 O O . GLY A 1 759 ? 6.951 53.995 38.463 1.00 9.13 ? 717 GLY A O 1 -ATOM 5504 N N . TRP A 1 760 ? 8.195 55.375 37.200 1.00 7.91 ? 718 TRP A N 1 -ATOM 5505 C CA . TRP A 1 760 ? 9.366 54.508 37.309 1.00 7.38 ? 718 TRP A CA 1 -ATOM 5506 C C . TRP A 1 760 ? 10.034 54.586 38.675 1.00 10.49 ? 718 TRP A C 1 -ATOM 5507 O O . TRP A 1 760 ? 10.762 55.524 38.995 1.00 10.19 ? 718 TRP A O 1 -ATOM 5508 C CB . TRP A 1 760 ? 10.397 54.827 36.218 1.00 8.01 ? 718 TRP A CB 1 -ATOM 5509 C CG . TRP A 1 760 ? 9.981 54.426 34.830 1.00 8.68 ? 718 TRP A CG 1 -ATOM 5510 C CD1 . TRP A 1 760 ? 8.775 53.987 34.379 1.00 8.48 ? 718 TRP A CD1 1 -ATOM 5511 C CD2 . TRP A 1 760 ? 10.857 54.434 33.689 1.00 6.76 ? 718 TRP A CD2 1 -ATOM 5512 N NE1 . TRP A 1 760 ? 8.826 53.748 33.025 1.00 8.98 ? 718 TRP A NE1 1 -ATOM 5513 C CE2 . TRP A 1 760 ? 10.100 54.004 32.581 1.00 8.88 ? 718 TRP A CE2 1 -ATOM 5514 C CE3 . TRP A 1 760 ? 12.198 54.784 33.510 1.00 8.96 ? 718 TRP A CE3 1 -ATOM 5515 C CZ2 . TRP A 1 760 ? 10.640 53.909 31.297 1.00 9.53 ? 718 TRP A CZ2 1 -ATOM 5516 C CZ3 . TRP A 1 760 ? 12.735 54.696 32.227 1.00 9.47 ? 718 TRP A CZ3 1 -ATOM 5517 C CH2 . TRP A 1 760 ? 11.963 54.259 31.152 1.00 8.70 ? 718 TRP A CH2 1 -ATOM 5518 N N . TYR A 1 761 ? 9.803 53.563 39.481 1.00 8.25 ? 719 TYR A N 1 -ATOM 5519 C CA . TYR A 1 761 ? 10.408 53.388 40.799 1.00 8.29 ? 719 TYR A CA 1 -ATOM 5520 C C . TYR A 1 761 ? 11.897 53.706 40.770 1.00 10.49 ? 719 TYR A C 1 -ATOM 5521 O O . TYR A 1 761 ? 12.617 53.084 39.974 1.00 8.70 ? 719 TYR A O 1 -ATOM 5522 C CB . TYR A 1 761 ? 10.214 51.909 41.163 1.00 8.05 ? 719 TYR A CB 1 -ATOM 5523 C CG . TYR A 1 761 ? 10.798 51.416 42.466 1.00 8.08 ? 719 TYR A CG 1 -ATOM 5524 C CD1 . TYR A 1 761 ? 10.482 52.056 43.651 1.00 7.93 ? 719 TYR A CD1 1 -ATOM 5525 C CD2 . TYR A 1 761 ? 11.607 50.280 42.515 1.00 7.97 ? 719 TYR A CD2 1 -ATOM 5526 C CE1 . TYR A 1 761 ? 10.983 51.612 44.864 1.00 7.56 ? 719 TYR A CE1 1 -ATOM 5527 C CE2 . TYR A 1 761 ? 12.108 49.822 43.725 1.00 9.30 ? 719 TYR A CE2 1 -ATOM 5528 C CZ . TYR A 1 761 ? 11.800 50.505 44.889 1.00 9.68 ? 719 TYR A CZ 1 -ATOM 5529 O OH . TYR A 1 761 ? 12.277 50.081 46.110 1.00 11.27 ? 719 TYR A OH 1 -ATOM 5530 N N . ASP A 1 762 ? 12.375 54.592 41.642 1.00 8.21 ? 720 ASP A N 1 -ATOM 5531 C CA . ASP A 1 762 ? 13.798 54.958 41.652 1.00 10.80 ? 720 ASP A CA 1 -ATOM 5532 C C . ASP A 1 762 ? 14.302 54.951 43.100 1.00 9.16 ? 720 ASP A C 1 -ATOM 5533 O O . ASP A 1 762 ? 14.321 55.967 43.790 1.00 9.59 ? 720 ASP A O 1 -ATOM 5534 C CB . ASP A 1 762 ? 13.915 56.354 41.026 1.00 10.56 ? 720 ASP A CB 1 -ATOM 5535 C CG . ASP A 1 762 ? 15.346 56.828 40.832 1.00 14.03 ? 720 ASP A CG 1 -ATOM 5536 O OD1 . ASP A 1 762 ? 16.269 55.990 40.796 1.00 12.88 ? 720 ASP A OD1 1 -ATOM 5537 O OD2 . ASP A 1 762 ? 15.535 58.064 40.722 1.00 14.76 ? 720 ASP A OD2 1 -ATOM 5538 N N . PRO A 1 763 ? 14.611 53.770 43.608 1.00 10.84 ? 721 PRO A N 1 -ATOM 5539 C CA . PRO A 1 763 ? 15.014 53.589 44.994 1.00 12.32 ? 721 PRO A CA 1 -ATOM 5540 C C . PRO A 1 763 ? 16.312 54.284 45.361 1.00 14.10 ? 721 PRO A C 1 -ATOM 5541 O O . PRO A 1 763 ? 17.295 54.201 44.618 1.00 11.61 ? 721 PRO A O 1 -ATOM 5542 C CB . PRO A 1 763 ? 15.097 52.074 45.159 1.00 11.26 ? 721 PRO A CB 1 -ATOM 5543 C CG . PRO A 1 763 ? 15.349 51.545 43.784 1.00 10.98 ? 721 PRO A CG 1 -ATOM 5544 C CD . PRO A 1 763 ? 14.595 52.480 42.865 1.00 11.64 ? 721 PRO A CD 1 -ATOM 5545 N N . SER A 1 764 ? 16.348 54.936 46.531 1.00 14.13 ? 722 SER A N 1 -ATOM 5546 C CA . SER A 1 764 ? 17.572 55.607 46.963 1.00 15.08 ? 722 SER A CA 1 -ATOM 5547 C C . SER A 1 764 ? 18.704 54.597 47.162 1.00 15.35 ? 722 SER A C 1 -ATOM 5548 O O . SER A 1 764 ? 19.836 54.835 46.739 1.00 16.72 ? 722 SER A O 1 -ATOM 5549 C CB . SER A 1 764 ? 17.403 56.381 48.275 1.00 18.33 ? 722 SER A CB 1 -ATOM 5550 O OG . SER A 1 764 ? 16.365 57.337 48.176 1.00 23.06 ? 722 SER A OG 1 -ATOM 5551 N N . ASP A 1 765 ? 18.414 53.486 47.814 1.00 12.52 ? 723 ASP A N 1 -ATOM 5552 C CA . ASP A 1 765 ? 19.406 52.446 48.079 1.00 15.35 ? 723 ASP A CA 1 -ATOM 5553 C C . ASP A 1 765 ? 18.731 51.089 48.053 1.00 14.24 ? 723 ASP A C 1 -ATOM 5554 O O . ASP A 1 765 ? 17.991 50.746 48.989 1.00 14.41 ? 723 ASP A O 1 -ATOM 5555 C CB . ASP A 1 765 ? 20.084 52.670 49.436 1.00 16.72 ? 723 ASP A CB 1 -ATOM 5556 C CG . ASP A 1 765 ? 21.184 51.682 49.749 1.00 20.25 ? 723 ASP A CG 1 -ATOM 5557 O OD1 . ASP A 1 765 ? 21.336 50.640 49.084 1.00 21.02 ? 723 ASP A OD1 1 -ATOM 5558 O OD2 . ASP A 1 765 ? 21.944 51.937 50.715 1.00 24.17 ? 723 ASP A OD2 1 -ATOM 5559 N N . VAL A 1 766 ? 19.035 50.262 47.038 1.00 14.80 ? 724 VAL A N 1 -ATOM 5560 C CA . VAL A 1 766 ? 18.378 48.967 46.936 1.00 13.31 ? 724 VAL A CA 1 -ATOM 5561 C C . VAL A 1 766 ? 18.633 48.058 48.134 1.00 17.33 ? 724 VAL A C 1 -ATOM 5562 O O . VAL A 1 766 ? 17.798 47.179 48.396 1.00 15.86 ? 724 VAL A O 1 -ATOM 5563 C CB . VAL A 1 766 ? 18.688 48.166 45.658 1.00 12.84 ? 724 VAL A CB 1 -ATOM 5564 C CG1 . VAL A 1 766 ? 18.134 48.882 44.426 1.00 14.48 ? 724 VAL A CG1 1 -ATOM 5565 C CG2 . VAL A 1 766 ? 20.172 47.880 45.483 1.00 14.85 ? 724 VAL A CG2 1 -ATOM 5566 N N . THR A 1 767 ? 19.731 48.228 48.868 1.00 15.92 ? 725 THR A N 1 -ATOM 5567 C CA . THR A 1 767 ? 19.995 47.325 49.988 1.00 20.82 ? 725 THR A CA 1 -ATOM 5568 C C . THR A 1 767 ? 19.358 47.779 51.288 1.00 22.85 ? 725 THR A C 1 -ATOM 5569 O O . THR A 1 767 ? 19.425 47.058 52.288 1.00 25.89 ? 725 THR A O 1 -ATOM 5570 C CB . THR A 1 767 ? 21.510 47.125 50.198 1.00 21.72 ? 725 THR A CB 1 -ATOM 5571 O OG1 . THR A 1 767 ? 22.068 48.344 50.687 1.00 21.58 ? 725 THR A OG1 1 -ATOM 5572 C CG2 . THR A 1 767 ? 22.163 46.749 48.875 1.00 21.66 ? 725 THR A CG2 1 -ATOM 5573 N N . GLU A 1 768 ? 18.727 48.937 51.296 1.00 21.91 ? 726 GLU A N 1 -ATOM 5574 C CA . GLU A 1 768 ? 18.055 49.488 52.465 1.00 21.46 ? 726 GLU A CA 1 -ATOM 5575 C C . GLU A 1 768 ? 16.581 49.123 52.470 1.00 19.63 ? 726 GLU A C 1 -ATOM 5576 O O . GLU A 1 768 ? 15.825 49.538 51.597 1.00 17.49 ? 726 GLU A O 1 -ATOM 5577 C CB . GLU A 1 768 ? 18.238 51.014 52.421 1.00 23.16 ? 726 GLU A CB 1 -ATOM 5578 C CG . GLU A 1 768 ? 17.476 51.804 53.458 1.00 23.81 ? 726 GLU A CG 1 -ATOM 5579 C CD . GLU A 1 768 ? 17.486 53.304 53.262 1.00 26.98 ? 726 GLU A CD 1 -ATOM 5580 O OE1 . GLU A 1 768 ? 17.473 53.837 52.128 1.00 23.55 ? 726 GLU A OE1 1 -ATOM 5581 O OE2 . GLU A 1 768 ? 17.491 54.003 54.305 1.00 30.50 ? 726 GLU A OE2 1 -ATOM 5582 N N . PRO A 1 769 ? 16.142 48.321 53.435 1.00 21.65 ? 727 PRO A N 1 -ATOM 5583 C CA . PRO A 1 769 ? 14.748 47.923 53.538 1.00 20.79 ? 727 PRO A CA 1 -ATOM 5584 C C . PRO A 1 769 ? 13.863 49.144 53.699 1.00 17.59 ? 727 PRO A C 1 -ATOM 5585 O O . PRO A 1 769 ? 14.144 50.053 54.484 1.00 16.28 ? 727 PRO A O 1 -ATOM 5586 C CB . PRO A 1 769 ? 14.667 46.992 54.736 1.00 23.65 ? 727 PRO A CB 1 -ATOM 5587 C CG . PRO A 1 769 ? 15.995 47.019 55.396 1.00 25.25 ? 727 PRO A CG 1 -ATOM 5588 C CD . PRO A 1 769 ? 16.968 47.759 54.527 1.00 23.84 ? 727 PRO A CD 1 -ATOM 5589 N N . GLY A 1 770 ? 12.822 49.240 52.873 1.00 15.33 ? 728 GLY A N 1 -ATOM 5590 C CA . GLY A 1 770 ? 11.906 50.368 52.906 1.00 16.16 ? 728 GLY A CA 1 -ATOM 5591 C C . GLY A 1 770 ? 12.500 51.653 52.363 1.00 15.19 ? 728 GLY A C 1 -ATOM 5592 O O . GLY A 1 770 ? 11.966 52.728 52.651 1.00 17.68 ? 728 GLY A O 1 -ATOM 5593 N N . THR A 1 771 ? 13.556 51.571 51.559 1.00 13.75 ? 729 THR A N 1 -ATOM 5594 C CA . THR A 1 771 ? 14.185 52.776 51.024 1.00 13.84 ? 729 THR A CA 1 -ATOM 5595 C C . THR A 1 771 ? 13.206 53.714 50.344 1.00 13.14 ? 729 THR A C 1 -ATOM 5596 O O . THR A 1 771 ? 12.196 53.311 49.757 1.00 13.18 ? 729 THR A O 1 -ATOM 5597 C CB . THR A 1 771 ? 15.317 52.379 50.053 1.00 13.29 ? 729 THR A CB 1 -ATOM 5598 O OG1 . THR A 1 771 ? 16.180 53.494 49.828 1.00 11.38 ? 729 THR A OG1 1 -ATOM 5599 C CG2 . THR A 1 771 ? 14.722 51.949 48.715 1.00 13.08 ? 729 THR A CG2 1 -ATOM 5600 N N . LEU A 1 772 ? 13.465 55.018 50.433 1.00 11.39 ? 730 LEU A N 1 -ATOM 5601 C CA . LEU A 1 772 ? 12.631 56.035 49.808 1.00 12.08 ? 730 LEU A CA 1 -ATOM 5602 C C . LEU A 1 772 ? 12.698 55.958 48.280 1.00 12.33 ? 730 LEU A C 1 -ATOM 5603 O O . LEU A 1 772 ? 13.789 55.909 47.710 1.00 12.45 ? 730 LEU A O 1 -ATOM 5604 C CB . LEU A 1 772 ? 13.150 57.425 50.217 1.00 11.90 ? 730 LEU A CB 1 -ATOM 5605 C CG . LEU A 1 772 ? 12.435 58.657 49.674 1.00 13.20 ? 730 LEU A CG 1 -ATOM 5606 C CD1 . LEU A 1 772 ? 10.998 58.730 50.163 1.00 13.62 ? 730 LEU A CD1 1 -ATOM 5607 C CD2 . LEU A 1 772 ? 13.185 59.928 50.077 1.00 17.29 ? 730 LEU A CD2 1 -ATOM 5608 N N . ASP A 1 773 ? 11.551 55.961 47.620 1.00 10.11 ? 731 ASP A N 1 -ATOM 5609 C CA . ASP A 1 773 ? 11.494 56.008 46.158 1.00 11.32 ? 731 ASP A CA 1 -ATOM 5610 C C . ASP A 1 773 ? 11.591 57.481 45.775 1.00 10.87 ? 731 ASP A C 1 -ATOM 5611 O O . ASP A 1 773 ? 10.750 58.272 46.221 1.00 13.42 ? 731 ASP A O 1 -ATOM 5612 C CB . ASP A 1 773 ? 10.184 55.428 45.645 1.00 12.05 ? 731 ASP A CB 1 -ATOM 5613 C CG . ASP A 1 773 ? 9.864 55.748 44.196 1.00 13.14 ? 731 ASP A CG 1 -ATOM 5614 O OD1 . ASP A 1 773 ? 10.762 56.124 43.417 1.00 12.32 ? 731 ASP A OD1 1 -ATOM 5615 O OD2 . ASP A 1 773 ? 8.671 55.592 43.851 1.00 15.03 ? 731 ASP A OD2 1 -ATOM 5616 N N . LYS A 1 774 ? 12.590 57.866 44.995 1.00 10.68 ? 732 LYS A N 1 -ATOM 5617 C CA . LYS A 1 774 ? 12.772 59.275 44.670 1.00 10.60 ? 732 LYS A CA 1 -ATOM 5618 C C . LYS A 1 774 ? 11.867 59.817 43.584 1.00 12.90 ? 732 LYS A C 1 -ATOM 5619 O O . LYS A 1 774 ? 11.783 61.048 43.450 1.00 12.37 ? 732 LYS A O 1 -ATOM 5620 C CB . LYS A 1 774 ? 14.247 59.491 44.253 1.00 12.89 ? 732 LYS A CB 1 -ATOM 5621 C CG . LYS A 1 774 ? 15.241 58.945 45.277 1.00 11.95 ? 732 LYS A CG 1 -ATOM 5622 C CD . LYS A 1 774 ? 16.686 59.163 44.826 1.00 15.16 ? 732 LYS A CD 1 -ATOM 5623 C CE . LYS A 1 774 ? 17.103 58.129 43.793 1.00 14.31 ? 732 LYS A CE 1 -ATOM 5624 N NZ . LYS A 1 774 ? 18.562 58.188 43.487 1.00 15.53 ? 732 LYS A NZ 1 -ATOM 5625 N N . TYR A 1 775 ? 11.236 58.949 42.783 1.00 9.24 ? 733 TYR A N 1 -ATOM 5626 C CA . TYR A 1 775 ? 10.468 59.447 41.653 1.00 11.00 ? 733 TYR A CA 1 -ATOM 5627 C C . TYR A 1 775 ? 8.972 59.527 41.892 1.00 10.58 ? 733 TYR A C 1 -ATOM 5628 O O . TYR A 1 775 ? 8.342 60.559 41.635 1.00 9.67 ? 733 TYR A O 1 -ATOM 5629 C CB . TYR A 1 775 ? 10.745 58.615 40.362 1.00 9.77 ? 733 TYR A CB 1 -ATOM 5630 C CG . TYR A 1 775 ? 9.824 59.194 39.297 1.00 10.21 ? 733 TYR A CG 1 -ATOM 5631 C CD1 . TYR A 1 775 ? 10.059 60.455 38.768 1.00 9.86 ? 733 TYR A CD1 1 -ATOM 5632 C CD2 . TYR A 1 775 ? 8.679 58.500 38.916 1.00 10.31 ? 733 TYR A CD2 1 -ATOM 5633 C CE1 . TYR A 1 775 ? 9.186 61.009 37.842 1.00 10.39 ? 733 TYR A CE1 1 -ATOM 5634 C CE2 . TYR A 1 775 ? 7.808 59.044 37.987 1.00 10.28 ? 733 TYR A CE2 1 -ATOM 5635 C CZ . TYR A 1 775 ? 8.064 60.295 37.469 1.00 9.83 ? 733 TYR A CZ 1 -ATOM 5636 O OH . TYR A 1 775 ? 7.173 60.826 36.558 1.00 8.70 ? 733 TYR A OH 1 -ATOM 5637 N N . GLY A 1 776 ? 8.364 58.424 42.330 1.00 12.06 ? 734 GLY A N 1 -ATOM 5638 C CA . GLY A 1 776 ? 6.940 58.391 42.584 1.00 8.67 ? 734 GLY A CA 1 -ATOM 5639 C C . GLY A 1 776 ? 6.189 57.212 41.981 1.00 10.08 ? 734 GLY A C 1 -ATOM 5640 O O . GLY A 1 776 ? 5.264 57.438 41.203 1.00 11.60 ? 734 GLY A O 1 -ATOM 5641 N N . ASP A 1 777 ? 6.554 55.990 42.332 1.00 7.50 ? 735 ASP A N 1 -ATOM 5642 C CA . ASP A 1 777 ? 5.828 54.792 41.896 1.00 9.02 ? 735 ASP A CA 1 -ATOM 5643 C C . ASP A 1 777 ? 4.764 54.553 42.958 1.00 8.96 ? 735 ASP A C 1 -ATOM 5644 O O . ASP A 1 777 ? 5.113 54.175 44.083 1.00 9.19 ? 735 ASP A O 1 -ATOM 5645 C CB . ASP A 1 777 ? 6.777 53.592 41.839 1.00 10.19 ? 735 ASP A CB 1 -ATOM 5646 C CG . ASP A 1 777 ? 6.060 52.261 41.697 1.00 9.15 ? 735 ASP A CG 1 -ATOM 5647 O OD1 . ASP A 1 777 ? 4.824 52.192 41.539 1.00 8.98 ? 735 ASP A OD1 1 -ATOM 5648 O OD2 . ASP A 1 777 ? 6.796 51.255 41.739 1.00 13.15 ? 735 ASP A OD2 1 -ATOM 5649 N N . VAL A 1 778 ? 3.493 54.730 42.643 1.00 7.93 ? 736 VAL A N 1 -ATOM 5650 C CA . VAL A 1 778 ? 2.423 54.598 43.633 1.00 9.91 ? 736 VAL A CA 1 -ATOM 5651 C C . VAL A 1 778 ? 2.282 53.194 44.196 1.00 10.60 ? 736 VAL A C 1 -ATOM 5652 O O . VAL A 1 778 ? 1.777 53.025 45.315 1.00 9.55 ? 736 VAL A O 1 -ATOM 5653 C CB . VAL A 1 778 ? 1.085 55.068 43.044 1.00 10.71 ? 736 VAL A CB 1 -ATOM 5654 C CG1 . VAL A 1 778 ? 0.520 53.999 42.116 1.00 8.66 ? 736 VAL A CG1 1 -ATOM 5655 C CG2 . VAL A 1 778 ? 0.096 55.459 44.138 1.00 10.65 ? 736 VAL A CG2 1 -ATOM 5656 N N . ASN A 1 779 ? 2.801 52.170 43.521 1.00 7.46 ? 737 ASN A N 1 -ATOM 5657 C CA . ASN A 1 779 ? 2.733 50.804 44.037 1.00 7.25 ? 737 ASN A CA 1 -ATOM 5658 C C . ASN A 1 779 ? 3.726 50.525 45.150 1.00 10.49 ? 737 ASN A C 1 -ATOM 5659 O O . ASN A 1 779 ? 3.715 49.442 45.749 1.00 8.28 ? 737 ASN A O 1 -ATOM 5660 C CB . ASN A 1 779 ? 2.833 49.788 42.890 1.00 7.09 ? 737 ASN A CB 1 -ATOM 5661 C CG . ASN A 1 779 ? 1.468 49.563 42.246 1.00 9.81 ? 737 ASN A CG 1 -ATOM 5662 O OD1 . ASN A 1 779 ? 0.439 49.444 42.929 1.00 8.03 ? 737 ASN A OD1 1 -ATOM 5663 N ND2 . ASN A 1 779 ? 1.427 49.477 40.913 1.00 8.60 ? 737 ASN A ND2 1 -ATOM 5664 N N . VAL A 1 780 ? 4.507 51.509 45.600 1.00 10.34 ? 738 VAL A N 1 -ATOM 5665 C CA . VAL A 1 780 ? 5.325 51.395 46.798 1.00 8.49 ? 738 VAL A CA 1 -ATOM 5666 C C . VAL A 1 780 ? 4.399 51.464 48.015 1.00 9.52 ? 738 VAL A C 1 -ATOM 5667 O O . VAL A 1 780 ? 4.674 50.996 49.131 1.00 12.04 ? 738 VAL A O 1 -ATOM 5668 C CB . VAL A 1 780 ? 6.380 52.518 46.856 1.00 8.90 ? 738 VAL A CB 1 -ATOM 5669 C CG1 . VAL A 1 780 ? 7.043 52.622 48.231 1.00 9.47 ? 738 VAL A CG1 1 -ATOM 5670 C CG2 . VAL A 1 780 ? 7.446 52.266 45.792 1.00 6.76 ? 738 VAL A CG2 1 -ATOM 5671 N N . LEU A 1 781 ? 3.216 52.040 47.809 1.00 8.16 ? 739 LEU A N 1 -ATOM 5672 C CA . LEU A 1 781 ? 2.244 52.230 48.876 1.00 8.96 ? 739 LEU A CA 1 -ATOM 5673 C C . LEU A 1 781 ? 1.059 51.288 48.899 1.00 10.80 ? 739 LEU A C 1 -ATOM 5674 O O . LEU A 1 781 ? 0.304 51.296 49.891 1.00 8.40 ? 739 LEU A O 1 -ATOM 5675 C CB . LEU A 1 781 ? 1.711 53.673 48.761 1.00 8.17 ? 739 LEU A CB 1 -ATOM 5676 C CG . LEU A 1 781 ? 2.763 54.787 48.752 1.00 11.09 ? 739 LEU A CG 1 -ATOM 5677 C CD1 . LEU A 1 781 ? 2.102 56.135 48.477 1.00 14.47 ? 739 LEU A CD1 1 -ATOM 5678 C CD2 . LEU A 1 781 ? 3.520 54.802 50.069 1.00 11.85 ? 739 LEU A CD2 1 -ATOM 5679 N N . SER A 1 782 ? 0.815 50.535 47.833 1.00 9.38 ? 740 SER A N 1 -ATOM 5680 C CA . SER A 1 782 ? -0.376 49.675 47.828 1.00 9.45 ? 740 SER A CA 1 -ATOM 5681 C C . SER A 1 782 ? -0.115 48.380 48.581 1.00 9.39 ? 740 SER A C 1 -ATOM 5682 O O . SER A 1 782 ? 1.034 48.032 48.852 1.00 9.84 ? 740 SER A O 1 -ATOM 5683 C CB . SER A 1 782 ? -0.736 49.403 46.351 1.00 9.57 ? 740 SER A CB 1 -ATOM 5684 O OG . SER A 1 782 ? 0.424 48.864 45.704 1.00 8.71 ? 740 SER A OG 1 -ATOM 5685 N N . ALA A 1 783 ? -1.158 47.661 48.961 1.00 8.05 ? 741 ALA A N 1 -ATOM 5686 C CA . ALA A 1 783 ? -1.070 46.373 49.621 1.00 9.71 ? 741 ALA A CA 1 -ATOM 5687 C C . ALA A 1 783 ? -1.224 45.265 48.575 1.00 10.38 ? 741 ALA A C 1 -ATOM 5688 O O . ALA A 1 783 ? -1.929 45.470 47.587 1.00 11.50 ? 741 ALA A O 1 -ATOM 5689 C CB . ALA A 1 783 ? -2.157 46.205 50.673 1.00 10.32 ? 741 ALA A CB 1 -ATOM 5690 N N . ASP A 1 784 ? -0.578 44.134 48.808 1.00 7.94 ? 742 ASP A N 1 -ATOM 5691 C CA . ASP A 1 784 ? -0.638 42.995 47.889 1.00 8.48 ? 742 ASP A CA 1 -ATOM 5692 C C . ASP A 1 784 ? -1.540 41.909 48.455 1.00 9.74 ? 742 ASP A C 1 -ATOM 5693 O O . ASP A 1 784 ? -1.074 41.010 49.166 1.00 9.18 ? 742 ASP A O 1 -ATOM 5694 C CB . ASP A 1 784 ? 0.774 42.447 47.651 1.00 9.09 ? 742 ASP A CB 1 -ATOM 5695 C CG . ASP A 1 784 ? 0.840 41.362 46.586 1.00 8.73 ? 742 ASP A CG 1 -ATOM 5696 O OD1 . ASP A 1 784 ? -0.142 41.128 45.850 1.00 8.38 ? 742 ASP A OD1 1 -ATOM 5697 O OD2 . ASP A 1 784 ? 1.905 40.723 46.485 1.00 8.12 ? 742 ASP A OD2 1 -ATOM 5698 N N . ILE A 1 785 ? -2.856 42.036 48.284 1.00 8.26 ? 743 ILE A N 1 -ATOM 5699 C CA . ILE A 1 785 ? -3.807 41.062 48.812 1.00 9.20 ? 743 ILE A CA 1 -ATOM 5700 C C . ILE A 1 785 ? -4.844 40.737 47.741 1.00 11.13 ? 743 ILE A C 1 -ATOM 5701 O O . ILE A 1 785 ? -5.032 41.546 46.820 1.00 9.06 ? 743 ILE A O 1 -ATOM 5702 C CB . ILE A 1 785 ? -4.564 41.549 50.071 1.00 12.71 ? 743 ILE A CB 1 -ATOM 5703 C CG1 . ILE A 1 785 ? -5.384 42.806 49.764 1.00 13.85 ? 743 ILE A CG1 1 -ATOM 5704 C CG2 . ILE A 1 785 ? -3.633 41.817 51.248 1.00 13.15 ? 743 ILE A CG2 1 -ATOM 5705 C CD1 . ILE A 1 785 ? -6.401 43.176 50.829 1.00 15.85 ? 743 ILE A CD1 1 -ATOM 5706 N N . GLY A 1 786 ? -5.523 39.593 47.845 1.00 8.94 ? 744 GLY A N 1 -ATOM 5707 C CA . GLY A 1 786 ? -6.543 39.267 46.852 1.00 8.74 ? 744 GLY A CA 1 -ATOM 5708 C C . GLY A 1 786 ? -7.850 39.989 47.150 1.00 9.75 ? 744 GLY A C 1 -ATOM 5709 O O . GLY A 1 786 ? -8.199 40.262 48.304 1.00 8.66 ? 744 GLY A O 1 -ATOM 5710 N N . THR A 1 787 ? -8.633 40.235 46.098 1.00 7.80 ? 745 THR A N 1 -ATOM 5711 C CA . THR A 1 787 ? -9.942 40.870 46.256 1.00 7.68 ? 745 THR A CA 1 -ATOM 5712 C C . THR A 1 787 ? -10.826 40.024 47.170 1.00 9.85 ? 745 THR A C 1 -ATOM 5713 O O . THR A 1 787 ? -11.584 40.550 47.985 1.00 10.66 ? 745 THR A O 1 -ATOM 5714 C CB . THR A 1 787 ? -10.671 41.040 44.917 1.00 9.39 ? 745 THR A CB 1 -ATOM 5715 O OG1 . THR A 1 787 ? -10.616 39.789 44.207 1.00 7.42 ? 745 THR A OG1 1 -ATOM 5716 C CG2 . THR A 1 787 ? -10.010 42.137 44.089 1.00 7.05 ? 745 THR A CG2 1 -ATOM 5717 N N . SER A 1 788 ? -10.761 38.716 46.993 1.00 9.15 ? 746 SER A N 1 -ATOM 5718 C CA . SER A 1 788 ? -11.473 37.737 47.806 1.00 10.76 ? 746 SER A CA 1 -ATOM 5719 C C . SER A 1 788 ? -10.955 36.345 47.423 1.00 11.41 ? 746 SER A C 1 -ATOM 5720 O O . SER A 1 788 ? -10.226 36.228 46.436 1.00 9.77 ? 746 SER A O 1 -ATOM 5721 C CB . SER A 1 788 ? -12.982 37.761 47.627 1.00 9.86 ? 746 SER A CB 1 -ATOM 5722 O OG . SER A 1 788 ? -13.416 37.154 46.419 1.00 10.18 ? 746 SER A OG 1 -ATOM 5723 N N . LYS A 1 789 ? -11.454 35.297 48.082 1.00 10.51 ? 747 LYS A N 1 -ATOM 5724 C CA . LYS A 1 789 ? -11.047 33.945 47.671 1.00 9.48 ? 747 LYS A CA 1 -ATOM 5725 C C . LYS A 1 789 ? -11.664 33.554 46.337 1.00 11.69 ? 747 LYS A C 1 -ATOM 5726 O O . LYS A 1 789 ? -11.211 32.584 45.717 1.00 11.77 ? 747 LYS A O 1 -ATOM 5727 C CB . LYS A 1 789 ? -11.418 32.937 48.771 1.00 10.30 ? 747 LYS A CB 1 -ATOM 5728 C CG . LYS A 1 789 ? -10.495 33.079 50.002 1.00 2.05 ? 747 LYS A CG 1 -ATOM 5729 C CD . LYS A 1 789 ? -11.242 32.333 51.131 1.00 15.41 ? 747 LYS A CD 1 -ATOM 5730 C CE . LYS A 1 789 ? -10.561 32.609 52.462 1.00 22.51 ? 747 LYS A CE 1 -ATOM 5731 N NZ . LYS A 1 789 ? -10.900 33.985 52.940 1.00 26.43 ? 747 LYS A NZ 1 -ATOM 5732 N N . LEU A 1 790 ? -12.700 34.252 45.864 1.00 9.99 ? 748 LEU A N 1 -ATOM 5733 C CA . LEU A 1 790 ? -13.296 33.886 44.584 1.00 11.98 ? 748 LEU A CA 1 -ATOM 5734 C C . LEU A 1 790 ? -12.383 34.186 43.399 1.00 12.82 ? 748 LEU A C 1 -ATOM 5735 O O . LEU A 1 790 ? -12.090 33.272 42.623 1.00 11.77 ? 748 LEU A O 1 -ATOM 5736 C CB . LEU A 1 790 ? -14.666 34.540 44.373 1.00 11.52 ? 748 LEU A CB 1 -ATOM 5737 C CG . LEU A 1 790 ? -15.400 34.068 43.105 1.00 13.85 ? 748 LEU A CG 1 -ATOM 5738 C CD1 . LEU A 1 790 ? -16.258 32.852 43.418 1.00 16.69 ? 748 LEU A CD1 1 -ATOM 5739 C CD2 . LEU A 1 790 ? -16.227 35.208 42.529 1.00 15.32 ? 748 LEU A CD2 1 -ATOM 5740 N N . ALA A 1 791 ? -11.925 35.422 43.242 1.00 9.93 ? 749 ALA A N 1 -ATOM 5741 C CA . ALA A 1 791 ? -11.141 35.800 42.074 1.00 10.46 ? 749 ALA A CA 1 -ATOM 5742 C C . ALA A 1 791 ? -9.666 36.019 42.345 1.00 10.75 ? 749 ALA A C 1 -ATOM 5743 O O . ALA A 1 791 ? -8.875 36.002 41.388 1.00 10.44 ? 749 ALA A O 1 -ATOM 5744 C CB . ALA A 1 791 ? -11.724 37.105 41.490 1.00 11.05 ? 749 ALA A CB 1 -ATOM 5745 N N . GLN A 1 792 ? -9.274 36.319 43.589 1.00 6.94 ? 750 GLN A N 1 -ATOM 5746 C CA . GLN A 1 792 ? -7.870 36.610 43.875 1.00 9.01 ? 750 GLN A CA 1 -ATOM 5747 C C . GLN A 1 792 ? -7.327 37.737 42.997 1.00 7.92 ? 750 GLN A C 1 -ATOM 5748 O O . GLN A 1 792 ? -6.158 37.705 42.612 1.00 10.45 ? 750 GLN A O 1 -ATOM 5749 C CB . GLN A 1 792 ? -7.017 35.347 43.686 1.00 11.02 ? 750 GLN A CB 1 -ATOM 5750 C CG . GLN A 1 792 ? -7.433 34.212 44.619 1.00 12.18 ? 750 GLN A CG 1 -ATOM 5751 C CD . GLN A 1 792 ? -7.020 34.440 46.052 1.00 15.08 ? 750 GLN A CD 1 -ATOM 5752 O OE1 . GLN A 1 792 ? -6.490 35.481 46.439 1.00 12.78 ? 750 GLN A OE1 1 -ATOM 5753 N NE2 . GLN A 1 792 ? -7.258 33.440 46.907 1.00 15.92 ? 750 GLN A NE2 1 -ATOM 5754 N N . GLY A 1 793 ? -8.136 38.761 42.738 1.00 8.25 ? 751 GLY A N 1 -ATOM 5755 C CA . GLY A 1 793 ? -7.730 39.875 41.891 1.00 10.37 ? 751 GLY A CA 1 -ATOM 5756 C C . GLY A 1 793 ? -6.856 40.848 42.674 1.00 8.87 ? 751 GLY A C 1 -ATOM 5757 O O . GLY A 1 793 ? -6.805 40.729 43.907 1.00 9.93 ? 751 GLY A O 1 -ATOM 5758 N N . ASN A 1 794 ? -6.221 41.804 41.983 1.00 8.33 ? 752 ASN A N 1 -ATOM 5759 C CA . ASN A 1 794 ? -5.393 42.754 42.737 1.00 6.29 ? 752 ASN A CA 1 -ATOM 5760 C C . ASN A 1 794 ? -6.258 43.869 43.316 1.00 8.45 ? 752 ASN A C 1 -ATOM 5761 O O . ASN A 1 794 ? -7.336 44.185 42.833 1.00 7.35 ? 752 ASN A O 1 -ATOM 5762 C CB . ASN A 1 794 ? -4.265 43.324 41.866 1.00 8.67 ? 752 ASN A CB 1 -ATOM 5763 C CG . ASN A 1 794 ? -4.763 44.389 40.908 1.00 10.55 ? 752 ASN A CG 1 -ATOM 5764 O OD1 . ASN A 1 794 ? -4.716 45.572 41.238 1.00 11.41 ? 752 ASN A OD1 1 -ATOM 5765 N ND2 . ASN A 1 794 ? -5.237 43.993 39.730 1.00 11.53 ? 752 ASN A ND2 1 -ATOM 5766 N N . CYS A 1 795 ? -5.745 44.495 44.374 1.00 6.71 ? 753 CYS A N 1 -ATOM 5767 C CA . CYS A 1 795 ? -6.436 45.587 45.058 1.00 5.66 ? 753 CYS A CA 1 -ATOM 5768 C C . CYS A 1 795 ? -5.581 46.845 44.954 1.00 6.27 ? 753 CYS A C 1 -ATOM 5769 O O . CYS A 1 795 ? -5.346 47.570 45.917 1.00 9.47 ? 753 CYS A O 1 -ATOM 5770 C CB . CYS A 1 795 ? -6.642 45.213 46.535 1.00 8.96 ? 753 CYS A CB 1 -ATOM 5771 S SG . CYS A 1 795 ? -7.665 43.727 46.758 1.00 9.98 ? 753 CYS A SG 1 -ATOM 5772 N N . GLY A 1 796 ? -5.107 47.130 43.746 1.00 6.40 ? 754 GLY A N 1 -ATOM 5773 C CA . GLY A 1 796 ? -4.254 48.274 43.472 1.00 8.52 ? 754 GLY A CA 1 -ATOM 5774 C C . GLY A 1 796 ? -4.809 49.642 43.803 1.00 9.85 ? 754 GLY A C 1 -ATOM 5775 O O . GLY A 1 796 ? -4.006 50.590 43.788 1.00 10.42 ? 754 GLY A O 1 -ATOM 5776 N N . GLN A 1 797 ? -6.104 49.821 44.033 1.00 7.01 ? 755 GLN A N 1 -ATOM 5777 C CA . GLN A 1 797 ? -6.672 51.116 44.370 1.00 7.89 ? 755 GLN A CA 1 -ATOM 5778 C C . GLN A 1 797 ? -7.268 51.142 45.771 1.00 8.91 ? 755 GLN A C 1 -ATOM 5779 O O . GLN A 1 797 ? -7.994 52.083 46.090 1.00 10.55 ? 755 GLN A O 1 -ATOM 5780 C CB . GLN A 1 797 ? -7.658 51.586 43.275 1.00 7.63 ? 755 GLN A CB 1 -ATOM 5781 C CG . GLN A 1 797 ? -6.845 51.953 42.016 1.00 6.71 ? 755 GLN A CG 1 -ATOM 5782 C CD . GLN A 1 797 ? -7.630 52.695 40.952 1.00 9.55 ? 755 GLN A CD 1 -ATOM 5783 O OE1 . GLN A 1 797 ? -8.435 53.560 41.289 1.00 10.83 ? 755 GLN A OE1 1 -ATOM 5784 N NE2 . GLN A 1 797 ? -7.400 52.410 39.667 1.00 8.38 ? 755 GLN A NE2 1 -ATOM 5785 N N . THR A 1 798 ? -6.913 50.189 46.625 1.00 8.13 ? 756 THR A N 1 -ATOM 5786 C CA . THR A 1 798 ? -7.297 50.194 48.044 1.00 9.46 ? 756 THR A CA 1 -ATOM 5787 C C . THR A 1 798 ? -6.091 50.741 48.806 1.00 8.89 ? 756 THR A C 1 -ATOM 5788 O O . THR A 1 798 ? -5.200 49.995 49.231 1.00 10.17 ? 756 THR A O 1 -ATOM 5789 C CB . THR A 1 798 ? -7.625 48.787 48.576 1.00 9.24 ? 756 THR A CB 1 -ATOM 5790 O OG1 . THR A 1 798 ? -8.856 48.343 48.001 1.00 7.63 ? 756 THR A OG1 1 -ATOM 5791 C CG2 . THR A 1 798 ? -7.823 48.782 50.092 1.00 12.43 ? 756 THR A CG2 1 -ATOM 5792 N N . VAL A 1 799 ? -5.896 52.063 48.827 1.00 10.80 ? 757 VAL A N 1 -ATOM 5793 C CA . VAL A 1 799 ? -4.681 52.641 49.385 1.00 12.28 ? 757 VAL A CA 1 -ATOM 5794 C C . VAL A 1 799 ? -4.914 53.932 50.172 1.00 11.96 ? 757 VAL A C 1 -ATOM 5795 O O . VAL A 1 799 ? -5.457 54.872 49.588 1.00 10.84 ? 757 VAL A O 1 -ATOM 5796 C CB . VAL A 1 799 ? -3.687 53.068 48.273 1.00 14.63 ? 757 VAL A CB 1 -ATOM 5797 C CG1 . VAL A 1 799 ? -2.353 53.443 48.934 1.00 17.13 ? 757 VAL A CG1 1 -ATOM 5798 C CG2 . VAL A 1 799 ? -3.407 52.075 47.167 1.00 19.26 ? 757 VAL A CG2 1 -ATOM 5799 N N . LEU A 1 800 ? -4.489 53.980 51.424 1.00 11.66 ? 758 LEU A N 1 -ATOM 5800 C CA . LEU A 1 800 ? -4.562 55.184 52.232 1.00 12.14 ? 758 LEU A CA 1 -ATOM 5801 C C . LEU A 1 800 ? -3.135 55.588 52.621 1.00 10.82 ? 758 LEU A C 1 -ATOM 5802 O O . LEU A 1 800 ? -2.287 54.720 52.834 1.00 10.20 ? 758 LEU A O 1 -ATOM 5803 C CB . LEU A 1 800 ? -5.303 55.028 53.558 1.00 11.75 ? 758 LEU A CB 1 -ATOM 5804 C CG . LEU A 1 800 ? -6.755 54.561 53.545 1.00 13.92 ? 758 LEU A CG 1 -ATOM 5805 C CD1 . LEU A 1 800 ? -7.293 54.528 54.977 1.00 15.90 ? 758 LEU A CD1 1 -ATOM 5806 C CD2 . LEU A 1 800 ? -7.614 55.438 52.661 1.00 16.18 ? 758 LEU A CD2 1 -ATOM 5807 N N . ALA A 1 801 ? -2.911 56.894 52.768 1.00 10.85 ? 759 ALA A N 1 -ATOM 5808 C CA . ALA A 1 801 ? -1.579 57.346 53.149 1.00 9.13 ? 759 ALA A CA 1 -ATOM 5809 C C . ALA A 1 801 ? -1.633 58.736 53.781 1.00 10.27 ? 759 ALA A C 1 -ATOM 5810 O O . ALA A 1 801 ? -2.685 59.360 53.749 1.00 12.16 ? 759 ALA A O 1 -ATOM 5811 C CB . ALA A 1 801 ? -0.689 57.434 51.907 1.00 11.20 ? 759 ALA A CB 1 -ATOM 5812 N N . GLU A 1 802 ? -0.486 59.201 54.247 1.00 11.94 ? 760 GLU A N 1 -ATOM 5813 C CA . GLU A 1 802 ? -0.349 60.551 54.786 1.00 11.39 ? 760 GLU A CA 1 -ATOM 5814 C C . GLU A 1 802 ? 0.634 61.306 53.887 1.00 13.95 ? 760 GLU A C 1 -ATOM 5815 O O . GLU A 1 802 ? 1.442 60.676 53.201 1.00 11.32 ? 760 GLU A O 1 -ATOM 5816 C CB . GLU A 1 802 ? 0.176 60.526 56.217 1.00 15.63 ? 760 GLU A CB 1 -ATOM 5817 C CG . GLU A 1 802 ? 0.529 61.886 56.824 1.00 14.96 ? 760 GLU A CG 1 -ATOM 5818 C CD . GLU A 1 802 ? -0.711 62.745 56.943 1.00 16.83 ? 760 GLU A CD 1 -ATOM 5819 O OE1 . GLU A 1 802 ? -1.167 63.293 55.923 1.00 14.33 ? 760 GLU A OE1 1 -ATOM 5820 O OE2 . GLU A 1 802 ? -1.275 62.859 58.053 1.00 20.63 ? 760 GLU A OE2 1 -ATOM 5821 N N . VAL A 1 803 ? 0.545 62.630 53.844 1.00 13.03 ? 761 VAL A N 1 -ATOM 5822 C CA . VAL A 1 803 ? 1.420 63.462 53.031 1.00 12.70 ? 761 VAL A CA 1 -ATOM 5823 C C . VAL A 1 803 ? 2.027 64.557 53.922 1.00 15.47 ? 761 VAL A C 1 -ATOM 5824 O O . VAL A 1 803 ? 1.308 65.123 54.743 1.00 12.71 ? 761 VAL A O 1 -ATOM 5825 C CB . VAL A 1 803 ? 0.682 64.170 51.881 1.00 12.32 ? 761 VAL A CB 1 -ATOM 5826 C CG1 . VAL A 1 803 ? 1.626 65.064 51.078 1.00 13.35 ? 761 VAL A CG1 1 -ATOM 5827 C CG2 . VAL A 1 803 ? -0.006 63.201 50.924 1.00 13.55 ? 761 VAL A CG2 1 -ATOM 5828 N N . GLU A 1 804 ? 3.305 64.822 53.752 1.00 16.32 ? 762 GLU A N 1 -ATOM 5829 C CA . GLU A 1 804 ? 3.989 65.886 54.474 1.00 19.28 ? 762 GLU A CA 1 -ATOM 5830 C C . GLU A 1 804 ? 4.964 66.564 53.509 1.00 18.61 ? 762 GLU A C 1 -ATOM 5831 O O . GLU A 1 804 ? 5.470 65.931 52.583 1.00 17.42 ? 762 GLU A O 1 -ATOM 5832 C CB . GLU A 1 804 ? 4.776 65.368 55.676 1.00 21.50 ? 762 GLU A CB 1 -ATOM 5833 C CG . GLU A 1 804 ? 6.036 64.612 55.292 1.00 26.30 ? 762 GLU A CG 1 -ATOM 5834 C CD . GLU A 1 804 ? 6.700 63.852 56.414 1.00 30.80 ? 762 GLU A CD 1 -ATOM 5835 O OE1 . GLU A 1 804 ? 6.099 63.747 57.501 1.00 33.68 ? 762 GLU A OE1 1 -ATOM 5836 O OE2 . GLU A 1 804 ? 7.835 63.351 56.229 1.00 29.73 ? 762 GLU A OE2 1 -ATOM 5837 N N . LYS A 1 805 ? 5.220 67.850 53.720 1.00 16.68 ? 763 LYS A N 1 -ATOM 5838 C CA . LYS A 1 805 ? 6.191 68.542 52.876 1.00 18.27 ? 763 LYS A CA 1 -ATOM 5839 C C . LYS A 1 805 ? 7.551 67.893 53.083 1.00 18.27 ? 763 LYS A C 1 -ATOM 5840 O O . LYS A 1 805 ? 7.949 67.597 54.218 1.00 18.91 ? 763 LYS A O 1 -ATOM 5841 C CB . LYS A 1 805 ? 6.218 70.030 53.256 1.00 22.61 ? 763 LYS A CB 1 -ATOM 5842 C CG . LYS A 1 805 ? 7.251 70.812 52.446 1.00 27.73 ? 763 LYS A CG 1 -ATOM 5843 C CD . LYS A 1 805 ? 7.153 72.296 52.776 1.00 30.85 ? 763 LYS A CD 1 -ATOM 5844 C CE . LYS A 1 805 ? 8.190 73.103 52.008 1.00 33.94 ? 763 LYS A CE 1 -ATOM 5845 N NZ . LYS A 1 805 ? 7.941 74.565 52.173 1.00 36.61 ? 763 LYS A NZ 1 -ATOM 5846 N N . TYR A 1 806 ? 8.284 67.628 52.007 1.00 19.03 ? 764 TYR A N 1 -ATOM 5847 C CA . TYR A 1 806 ? 9.580 66.983 52.124 1.00 21.49 ? 764 TYR A CA 1 -ATOM 5848 C C . TYR A 1 806 ? 10.667 68.007 52.435 1.00 25.78 ? 764 TYR A C 1 -ATOM 5849 O O . TYR A 1 806 ? 10.877 68.951 51.682 1.00 25.90 ? 764 TYR A O 1 -ATOM 5850 C CB . TYR A 1 806 ? 9.933 66.188 50.867 1.00 20.78 ? 764 TYR A CB 1 -ATOM 5851 C CG . TYR A 1 806 ? 11.280 65.508 50.990 1.00 20.25 ? 764 TYR A CG 1 -ATOM 5852 C CD1 . TYR A 1 806 ? 11.480 64.468 51.880 1.00 21.81 ? 764 TYR A CD1 1 -ATOM 5853 C CD2 . TYR A 1 806 ? 12.349 65.930 50.215 1.00 23.42 ? 764 TYR A CD2 1 -ATOM 5854 C CE1 . TYR A 1 806 ? 12.714 63.852 51.991 1.00 24.27 ? 764 TYR A CE1 1 -ATOM 5855 C CE2 . TYR A 1 806 ? 13.584 65.318 50.312 1.00 23.38 ? 764 TYR A CE2 1 -ATOM 5856 C CZ . TYR A 1 806 ? 13.758 64.283 51.202 1.00 24.55 ? 764 TYR A CZ 1 -ATOM 5857 O OH . TYR A 1 806 ? 14.995 63.678 51.301 1.00 27.33 ? 764 TYR A OH 1 -ATOM 5858 N N . THR A 1 807 ? 11.329 67.810 53.570 1.00 28.40 ? 765 THR A N 1 -ATOM 5859 C CA . THR A 1 807 ? 12.357 68.731 54.040 1.00 33.68 ? 765 THR A CA 1 -ATOM 5860 C C . THR A 1 807 ? 13.706 68.038 54.203 1.00 35.36 ? 765 THR A C 1 -ATOM 5861 O O . THR A 1 807 ? 14.660 68.652 54.683 1.00 38.42 ? 765 THR A O 1 -ATOM 5862 C CB . THR A 1 807 ? 11.955 69.312 55.417 1.00 33.84 ? 765 THR A CB 1 -ATOM 5863 O OG1 . THR A 1 807 ? 11.675 68.209 56.296 1.00 34.46 ? 765 THR A OG1 1 -ATOM 5864 C CG2 . THR A 1 807 ? 10.714 70.183 55.341 1.00 34.24 ? 765 THR A CG2 1 -ATOM 5865 N N . GLY A 1 808 ? 13.793 66.762 53.848 1.00 34.95 ? 766 GLY A N 1 -ATOM 5866 C CA . GLY A 1 808 ? 15.012 65.988 53.964 1.00 33.37 ? 766 GLY A CA 1 -ATOM 5867 C C . GLY A 1 808 ? 16.111 66.443 53.013 1.00 33.23 ? 766 GLY A C 1 -ATOM 5868 O O . GLY A 1 808 ? 15.991 67.438 52.301 1.00 31.01 ? 766 GLY A O 1 -ATOM 5869 N N . PRO A 1 809 ? 17.202 65.679 52.984 1.00 34.12 ? 767 PRO A N 1 -ATOM 5870 C CA . PRO A 1 809 ? 18.331 65.970 52.122 1.00 35.79 ? 767 PRO A CA 1 -ATOM 5871 C C . PRO A 1 809 ? 17.922 65.980 50.656 1.00 36.61 ? 767 PRO A C 1 -ATOM 5872 O O . PRO A 1 809 ? 17.019 65.232 50.268 1.00 36.50 ? 767 PRO A O 1 -ATOM 5873 C CB . PRO A 1 809 ? 19.343 64.874 52.398 1.00 35.59 ? 767 PRO A CB 1 -ATOM 5874 C CG . PRO A 1 809 ? 18.777 63.973 53.422 1.00 35.26 ? 767 PRO A CG 1 -ATOM 5875 C CD . PRO A 1 809 ? 17.410 64.454 53.790 1.00 35.02 ? 767 PRO A CD 1 -ATOM 5876 N N . ALA A 1 810 ? 18.559 66.837 49.865 1.00 36.79 ? 768 ALA A N 1 -ATOM 5877 C CA . ALA A 1 810 ? 18.244 66.888 48.437 1.00 36.66 ? 768 ALA A CA 1 -ATOM 5878 C C . ALA A 1 810 ? 18.508 65.495 47.861 1.00 35.95 ? 768 ALA A C 1 -ATOM 5879 O O . ALA A 1 810 ? 19.332 64.738 48.368 1.00 37.13 ? 768 ALA A O 1 -ATOM 5880 C CB . ALA A 1 810 ? 19.041 67.947 47.709 1.00 37.29 ? 768 ALA A CB 1 -ATOM 5881 N N . VAL A 1 811 ? 17.752 65.147 46.833 1.00 33.88 ? 769 VAL A N 1 -ATOM 5882 C CA . VAL A 1 811 ? 17.856 63.819 46.220 1.00 29.50 ? 769 VAL A CA 1 -ATOM 5883 C C . VAL A 1 811 ? 18.161 63.962 44.743 1.00 25.93 ? 769 VAL A C 1 -ATOM 5884 O O . VAL A 1 811 ? 17.777 64.962 44.131 1.00 25.18 ? 769 VAL A O 1 -ATOM 5885 C CB . VAL A 1 811 ? 16.527 63.098 46.520 1.00 31.29 ? 769 VAL A CB 1 -ATOM 5886 C CG1 . VAL A 1 811 ? 15.759 62.734 45.272 1.00 31.64 ? 769 VAL A CG1 1 -ATOM 5887 C CG2 . VAL A 1 811 ? 16.778 61.895 47.421 1.00 33.32 ? 769 VAL A CG2 1 -ATOM 5888 N N . THR A 1 812 ? 18.916 63.033 44.170 1.00 22.82 ? 770 THR A N 1 -ATOM 5889 C CA . THR A 1 812 ? 19.254 63.091 42.752 1.00 20.96 ? 770 THR A CA 1 -ATOM 5890 C C . THR A 1 812 ? 18.459 62.020 42.007 1.00 17.40 ? 770 THR A C 1 -ATOM 5891 O O . THR A 1 812 ? 18.503 60.872 42.447 1.00 20.07 ? 770 THR A O 1 -ATOM 5892 C CB . THR A 1 812 ? 20.752 62.849 42.499 1.00 22.16 ? 770 THR A CB 1 -ATOM 5893 O OG1 . THR A 1 812 ? 21.549 63.824 43.185 1.00 22.63 ? 770 THR A OG1 1 -ATOM 5894 C CG2 . THR A 1 812 ? 21.039 62.934 41.003 1.00 21.75 ? 770 THR A CG2 1 -ATOM 5895 N N . LEU A 1 813 ? 17.750 62.379 40.944 1.00 17.28 ? 771 LEU A N 1 -ATOM 5896 C CA . LEU A 1 813 ? 16.983 61.337 40.230 1.00 17.67 ? 771 LEU A CA 1 -ATOM 5897 C C . LEU A 1 813 ? 17.911 60.563 39.320 1.00 16.05 ? 771 LEU A C 1 -ATOM 5898 O O . LEU A 1 813 ? 18.698 61.188 38.609 1.00 15.40 ? 771 LEU A O 1 -ATOM 5899 C CB . LEU A 1 813 ? 15.845 61.978 39.440 1.00 19.23 ? 771 LEU A CB 1 -ATOM 5900 C CG . LEU A 1 813 ? 14.820 62.733 40.297 1.00 24.34 ? 771 LEU A CG 1 -ATOM 5901 C CD1 . LEU A 1 813 ? 13.959 63.620 39.416 1.00 26.21 ? 771 LEU A CD1 1 -ATOM 5902 C CD2 . LEU A 1 813 ? 13.964 61.751 41.083 1.00 24.95 ? 771 LEU A CD2 1 -ATOM 5903 N N . THR A 1 814 ? 17.850 59.236 39.327 1.00 14.51 ? 772 THR A N 1 -ATOM 5904 C CA . THR A 1 814 ? 18.738 58.441 38.483 1.00 13.94 ? 772 THR A CA 1 -ATOM 5905 C C . THR A 1 814 ? 17.992 57.494 37.553 1.00 15.71 ? 772 THR A C 1 -ATOM 5906 O O . THR A 1 814 ? 18.619 56.738 36.802 1.00 17.77 ? 772 THR A O 1 -ATOM 5907 C CB . THR A 1 814 ? 19.672 57.617 39.402 1.00 18.00 ? 772 THR A CB 1 -ATOM 5908 O OG1 . THR A 1 814 ? 18.891 57.090 40.483 1.00 19.66 ? 772 THR A OG1 1 -ATOM 5909 C CG2 . THR A 1 814 ? 20.768 58.497 40.002 1.00 15.83 ? 772 THR A CG2 1 -ATOM 5910 N N . GLY A 1 815 ? 16.659 57.510 37.572 1.00 13.01 ? 773 GLY A N 1 -ATOM 5911 C CA . GLY A 1 815 ? 15.892 56.572 36.756 1.00 13.84 ? 773 GLY A CA 1 -ATOM 5912 C C . GLY A 1 815 ? 15.729 56.926 35.297 1.00 12.48 ? 773 GLY A C 1 -ATOM 5913 O O . GLY A 1 815 ? 15.254 56.078 34.512 1.00 11.46 ? 773 GLY A O 1 -ATOM 5914 N N . PHE A 1 816 ? 16.065 58.164 34.904 1.00 8.36 ? 774 PHE A N 1 -ATOM 5915 C CA . PHE A 1 816 ? 15.854 58.568 33.514 1.00 9.72 ? 774 PHE A CA 1 -ATOM 5916 C C . PHE A 1 816 ? 17.134 58.702 32.709 1.00 9.98 ? 774 PHE A C 1 -ATOM 5917 O O . PHE A 1 816 ? 17.109 59.203 31.590 1.00 9.69 ? 774 PHE A O 1 -ATOM 5918 C CB . PHE A 1 816 ? 14.965 59.817 33.446 1.00 11.14 ? 774 PHE A CB 1 -ATOM 5919 C CG . PHE A 1 816 ? 13.627 59.581 34.114 1.00 12.97 ? 774 PHE A CG 1 -ATOM 5920 C CD1 . PHE A 1 816 ? 12.740 58.645 33.612 1.00 10.34 ? 774 PHE A CD1 1 -ATOM 5921 C CD2 . PHE A 1 816 ? 13.273 60.295 35.245 1.00 13.72 ? 774 PHE A CD2 1 -ATOM 5922 C CE1 . PHE A 1 816 ? 11.527 58.415 34.230 1.00 9.79 ? 774 PHE A CE1 1 -ATOM 5923 C CE2 . PHE A 1 816 ? 12.051 60.077 35.858 1.00 14.39 ? 774 PHE A CE2 1 -ATOM 5924 C CZ . PHE A 1 816 ? 11.167 59.142 35.348 1.00 10.57 ? 774 PHE A CZ 1 -ATOM 5925 N N . VAL A 1 817 ? 18.226 58.145 33.194 1.00 10.22 ? 775 VAL A N 1 -ATOM 5926 C CA . VAL A 1 817 ? 19.487 58.038 32.478 1.00 13.02 ? 775 VAL A CA 1 -ATOM 5927 C C . VAL A 1 817 ? 19.921 56.572 32.611 1.00 12.99 ? 775 VAL A C 1 -ATOM 5928 O O . VAL A 1 817 ? 19.598 55.962 33.638 1.00 13.31 ? 775 VAL A O 1 -ATOM 5929 C CB . VAL A 1 817 ? 20.625 58.939 32.974 1.00 14.26 ? 775 VAL A CB 1 -ATOM 5930 C CG1 . VAL A 1 817 ? 20.301 60.408 32.733 1.00 14.91 ? 775 VAL A CG1 1 -ATOM 5931 C CG2 . VAL A 1 817 ? 20.928 58.681 34.443 1.00 16.01 ? 775 VAL A CG2 1 -ATOM 5932 N N . ALA A 1 818 ? 20.564 56.021 31.591 1.00 10.21 ? 776 ALA A N 1 -ATOM 5933 C CA . ALA A 1 818 ? 20.962 54.610 31.703 1.00 12.67 ? 776 ALA A CA 1 -ATOM 5934 C C . ALA A 1 818 ? 22.000 54.405 32.799 1.00 13.66 ? 776 ALA A C 1 -ATOM 5935 O O . ALA A 1 818 ? 22.690 55.342 33.200 1.00 12.26 ? 776 ALA A O 1 -ATOM 5936 C CB . ALA A 1 818 ? 21.555 54.162 30.366 1.00 12.22 ? 776 ALA A CB 1 -ATOM 5937 N N . PRO A 1 819 ? 22.095 53.189 33.305 1.00 14.53 ? 777 PRO A N 1 -ATOM 5938 C CA . PRO A 1 819 ? 23.156 52.821 34.229 1.00 16.95 ? 777 PRO A CA 1 -ATOM 5939 C C . PRO A 1 819 ? 24.483 53.187 33.569 1.00 18.15 ? 777 PRO A C 1 -ATOM 5940 O O . PRO A 1 819 ? 24.662 52.983 32.360 1.00 15.68 ? 777 PRO A O 1 -ATOM 5941 C CB . PRO A 1 819 ? 23.032 51.310 34.369 1.00 18.60 ? 777 PRO A CB 1 -ATOM 5942 C CG . PRO A 1 819 ? 21.643 50.984 33.945 1.00 15.83 ? 777 PRO A CG 1 -ATOM 5943 C CD . PRO A 1 819 ? 21.290 52.007 32.887 1.00 14.83 ? 777 PRO A CD 1 -ATOM 5944 N N . LYS A 1 820 ? 25.433 53.709 34.324 1.00 18.08 ? 778 LYS A N 1 -ATOM 5945 C CA . LYS A 1 820 ? 26.729 54.132 33.804 1.00 22.77 ? 778 LYS A CA 1 -ATOM 5946 C C . LYS A 1 820 ? 27.410 53.153 32.874 1.00 19.44 ? 778 LYS A C 1 -ATOM 5947 O O . LYS A 1 820 ? 27.871 53.500 31.781 1.00 17.94 ? 778 LYS A O 1 -ATOM 5948 C CB . LYS A 1 820 ? 27.689 54.437 34.974 1.00 29.47 ? 778 LYS A CB 1 -ATOM 5949 C CG . LYS A 1 820 ? 27.498 55.835 35.536 1.00 37.93 ? 778 LYS A CG 1 -ATOM 5950 C CD . LYS A 1 820 ? 28.123 55.994 36.916 1.00 44.49 ? 778 LYS A CD 1 -ATOM 5951 C CE . LYS A 1 820 ? 27.245 56.873 37.800 1.00 48.53 ? 778 LYS A CE 1 -ATOM 5952 N NZ . LYS A 1 820 ? 28.007 57.482 38.926 1.00 52.18 ? 778 LYS A NZ 1 -ATOM 5953 N N . ALA A 1 821 ? 27.468 51.879 33.251 1.00 18.62 ? 779 ALA A N 1 -ATOM 5954 C CA . ALA A 1 821 ? 28.087 50.835 32.457 1.00 19.45 ? 779 ALA A CA 1 -ATOM 5955 C C . ALA A 1 821 ? 27.368 50.505 31.161 1.00 18.53 ? 779 ALA A C 1 -ATOM 5956 O O . ALA A 1 821 ? 27.944 49.845 30.293 1.00 16.72 ? 779 ALA A O 1 -ATOM 5957 C CB . ALA A 1 821 ? 28.201 49.572 33.320 1.00 21.33 ? 779 ALA A CB 1 -ATOM 5958 N N . ALA A 1 822 ? 26.126 50.943 30.986 1.00 18.21 ? 780 ALA A N 1 -ATOM 5959 C CA . ALA A 1 822 ? 25.329 50.674 29.808 1.00 16.90 ? 780 ALA A CA 1 -ATOM 5960 C C . ALA A 1 822 ? 25.347 51.768 28.755 1.00 18.08 ? 780 ALA A C 1 -ATOM 5961 O O . ALA A 1 822 ? 24.640 51.674 27.744 1.00 16.75 ? 780 ALA A O 1 -ATOM 5962 C CB . ALA A 1 822 ? 23.880 50.422 30.255 1.00 18.19 ? 780 ALA A CB 1 -ATOM 5963 N N . GLU A 1 823 ? 26.149 52.813 28.957 1.00 18.03 ? 781 GLU A N 1 -ATOM 5964 C CA . GLU A 1 823 ? 26.246 53.895 27.983 1.00 19.04 ? 781 GLU A CA 1 -ATOM 5965 C C . GLU A 1 823 ? 27.117 53.479 26.795 1.00 21.22 ? 781 GLU A C 1 -ATOM 5966 O O . GLU A 1 823 ? 26.950 54.068 25.709 1.00 19.09 ? 781 GLU A O 1 -ATOM 5967 C CB . GLU A 1 823 ? 26.829 55.154 28.627 1.00 17.79 ? 781 GLU A CB 1 -ATOM 5968 C CG . GLU A 1 823 ? 25.899 55.832 29.615 1.00 16.10 ? 781 GLU A CG 1 -ATOM 5969 C CD . GLU A 1 823 ? 24.793 56.629 28.944 1.00 16.46 ? 781 GLU A CD 1 -ATOM 5970 O OE1 . GLU A 1 823 ? 24.593 56.470 27.718 1.00 17.10 ? 781 GLU A OE1 1 -ATOM 5971 O OE2 . GLU A 1 823 ? 24.113 57.414 29.643 1.00 15.48 ? 781 GLU A OE2 1 -ATOM 5972 O OXT . GLU A 1 823 ? 28.036 52.660 27.009 1.00 20.89 ? 781 GLU A OXT 1 -HETATM 5973 P PB . PGD B 2 . ? 3.644 48.627 30.670 1.00 8.57 ? 782 PGD A PB 1 -HETATM 5974 O O1B . PGD B 2 . ? 4.261 50.107 31.293 1.00 10.95 ? 782 PGD A O1B 1 -HETATM 5975 O O2B . PGD B 2 . ? 2.613 48.766 29.354 1.00 7.25 ? 782 PGD A O2B 1 -HETATM 5976 O O3B . PGD B 2 . ? 2.808 48.053 31.945 1.00 8.53 ? 782 PGD A O3B 1 -HETATM 5977 O O3A . PGD B 2 . ? 1.305 46.865 33.671 1.00 4.96 ? 782 PGD A O3A 1 -HETATM 5978 P PA . PGD B 2 . ? 2.299 46.530 32.304 1.00 7.89 ? 782 PGD A PA 1 -HETATM 5979 O O1A . PGD B 2 . ? 1.542 45.902 30.956 1.00 8.23 ? 782 PGD A O1A 1 -HETATM 5980 O O2A . PGD B 2 . ? 3.698 45.712 32.849 1.00 8.70 ? 782 PGD A O2A 1 -HETATM 5981 O "O5'" . PGD B 2 . ? 4.966 47.524 30.462 1.00 7.66 ? 782 PGD A "O5'" 1 -HETATM 5982 C "C5'" . PGD B 2 . ? 5.086 47.124 29.130 1.00 6.72 ? 782 PGD A "C5'" 1 -HETATM 5983 C "C4'" . PGD B 2 . ? 6.600 47.016 28.861 1.00 7.16 ? 782 PGD A "C4'" 1 -HETATM 5984 O "O4'" . PGD B 2 . ? 6.768 46.283 27.657 1.00 8.15 ? 782 PGD A "O4'" 1 -HETATM 5985 C "C3'" . PGD B 2 . ? 7.230 48.382 28.689 1.00 8.08 ? 782 PGD A "C3'" 1 -HETATM 5986 O "O3'" . PGD B 2 . ? 8.352 48.566 29.530 1.00 9.10 ? 782 PGD A "O3'" 1 -HETATM 5987 C "C2'" . PGD B 2 . ? 7.585 48.396 27.218 1.00 7.60 ? 782 PGD A "C2'" 1 -HETATM 5988 O "O2'" . PGD B 2 . ? 8.723 49.139 26.927 1.00 8.32 ? 782 PGD A "O2'" 1 -HETATM 5989 C "C1'" . PGD B 2 . ? 7.846 46.921 26.968 1.00 6.77 ? 782 PGD A "C1'" 1 -HETATM 5990 N N9 . PGD B 2 . ? 7.719 46.516 25.576 1.00 6.23 ? 782 PGD A N9 1 -HETATM 5991 C C8 . PGD B 2 . ? 6.886 47.031 24.619 1.00 6.17 ? 782 PGD A C8 1 -HETATM 5992 N N7 . PGD B 2 . ? 6.997 46.377 23.422 1.00 6.79 ? 782 PGD A N7 1 -HETATM 5993 C C5 . PGD B 2 . ? 7.941 45.441 23.666 1.00 6.31 ? 782 PGD A C5 1 -HETATM 5994 C C6 . PGD B 2 . ? 8.478 44.496 22.803 1.00 8.82 ? 782 PGD A C6 1 -HETATM 5995 O O6 . PGD B 2 . ? 8.130 44.374 21.643 1.00 8.60 ? 782 PGD A O6 1 -HETATM 5996 N N1 . PGD B 2 . ? 9.444 43.665 23.298 1.00 6.95 ? 782 PGD A N1 1 -HETATM 5997 C C2 . PGD B 2 . ? 9.839 43.767 24.619 1.00 7.49 ? 782 PGD A C2 1 -HETATM 5998 N N2 . PGD B 2 . ? 10.824 42.868 25.079 1.00 5.03 ? 782 PGD A N2 1 -HETATM 5999 N N3 . PGD B 2 . ? 9.324 44.705 25.475 1.00 6.16 ? 782 PGD A N3 1 -HETATM 6000 C C4 . PGD B 2 . ? 8.368 45.527 24.947 1.00 7.75 ? 782 PGD A C4 1 -HETATM 6001 C C10 . PGD B 2 . ? 0.028 47.265 33.286 1.00 5.30 ? 782 PGD A C10 1 -HETATM 6002 C C11 . PGD B 2 . ? -0.835 46.853 34.501 1.00 5.90 ? 782 PGD A C11 1 -HETATM 6003 O O11 . PGD B 2 . ? -0.626 47.781 35.542 1.00 6.26 ? 782 PGD A O11 1 -HETATM 6004 C C12 . PGD B 2 . ? -2.298 46.828 34.098 1.00 7.86 ? 782 PGD A C12 1 -HETATM 6005 S S12 . PGD B 2 . ? -2.810 46.213 32.491 1.00 8.09 ? 782 PGD A S12 1 -HETATM 6006 C C13 . PGD B 2 . ? -3.262 47.233 34.955 1.00 7.29 ? 782 PGD A C13 1 -HETATM 6007 S S13 . PGD B 2 . ? -4.974 47.312 34.445 1.00 8.57 ? 782 PGD A S13 1 -HETATM 6008 C C14 . PGD B 2 . ? -2.924 47.637 36.353 1.00 6.58 ? 782 PGD A C14 1 -HETATM 6009 N N15 . PGD B 2 . ? -3.306 49.055 36.556 1.00 6.40 ? 782 PGD A N15 1 -HETATM 6010 C C16 . PGD B 2 . ? -2.999 49.507 37.896 1.00 7.46 ? 782 PGD A C16 1 -HETATM 6011 C C17 . PGD B 2 . ? -3.788 50.401 38.620 1.00 9.35 ? 782 PGD A C17 1 -HETATM 6012 O O17 . PGD B 2 . ? -4.826 50.883 38.191 1.00 6.18 ? 782 PGD A O17 1 -HETATM 6013 N N18 . PGD B 2 . ? -3.399 50.760 39.874 1.00 7.08 ? 782 PGD A N18 1 -HETATM 6014 C C19 . PGD B 2 . ? -2.268 50.248 40.436 1.00 9.22 ? 782 PGD A C19 1 -HETATM 6015 N N19 . PGD B 2 . ? -1.878 50.637 41.740 1.00 6.88 ? 782 PGD A N19 1 -HETATM 6016 N N20 . PGD B 2 . ? -1.492 49.367 39.757 1.00 7.03 ? 782 PGD A N20 1 -HETATM 6017 C C21 . PGD B 2 . ? -1.844 48.994 38.493 1.00 7.24 ? 782 PGD A C21 1 -HETATM 6018 N N22 . PGD B 2 . ? -0.998 48.051 37.832 1.00 7.09 ? 782 PGD A N22 1 -HETATM 6019 C C23 . PGD B 2 . ? -1.430 47.355 36.625 1.00 7.27 ? 782 PGD A C23 1 -HETATM 6020 P PB . PGD C 2 . ? -8.957 54.093 36.016 1.00 8.66 ? 783 PGD A PB 1 -HETATM 6021 O O1B . PGD C 2 . ? -8.073 55.403 35.365 1.00 9.24 ? 783 PGD A O1B 1 -HETATM 6022 O O2B . PGD C 2 . ? -8.063 53.046 37.008 1.00 9.35 ? 783 PGD A O2B 1 -HETATM 6023 O O3B . PGD C 2 . ? -9.468 53.295 34.704 1.00 7.86 ? 783 PGD A O3B 1 -HETATM 6024 O O3A . PGD C 2 . ? -9.752 51.577 32.761 1.00 8.52 ? 783 PGD A O3A 1 -HETATM 6025 P PA . PGD C 2 . ? -10.298 51.940 34.376 1.00 8.70 ? 783 PGD A PA 1 -HETATM 6026 O O1A . PGD C 2 . ? -11.958 52.291 34.333 1.00 9.19 ? 783 PGD A O1A 1 -HETATM 6027 O O2A . PGD C 2 . ? -9.822 50.766 35.488 1.00 10.94 ? 783 PGD A O2A 1 -HETATM 6028 O "O5'" . PGD C 2 . ? -10.392 54.582 36.829 1.00 9.53 ? 783 PGD A "O5'" 1 -HETATM 6029 C "C5'" . PGD C 2 . ? -11.308 55.291 36.066 1.00 7.60 ? 783 PGD A "C5'" 1 -HETATM 6030 C "C4'" . PGD C 2 . ? -11.900 56.330 37.036 1.00 5.99 ? 783 PGD A "C4'" 1 -HETATM 6031 O "O4'" . PGD C 2 . ? -12.313 55.668 38.216 1.00 6.16 ? 783 PGD A "O4'" 1 -HETATM 6032 C "C3'" . PGD C 2 . ? -10.869 57.377 37.430 1.00 6.68 ? 783 PGD A "C3'" 1 -HETATM 6033 O "O3'" . PGD C 2 . ? -11.244 58.617 36.888 1.00 8.18 ? 783 PGD A "O3'" 1 -HETATM 6034 C "C2'" . PGD C 2 . ? -10.877 57.353 38.941 1.00 7.06 ? 783 PGD A "C2'" 1 -HETATM 6035 O "O2'" . PGD C 2 . ? -10.841 58.638 39.524 1.00 8.49 ? 783 PGD A "O2'" 1 -HETATM 6036 C "C1'" . PGD C 2 . ? -12.222 56.696 39.215 1.00 7.28 ? 783 PGD A "C1'" 1 -HETATM 6037 N N9 . PGD C 2 . ? -12.288 56.058 40.524 1.00 10.09 ? 783 PGD A N9 1 -HETATM 6038 C C8 . PGD C 2 . ? -11.270 55.580 41.294 1.00 9.29 ? 783 PGD A C8 1 -HETATM 6039 N N7 . PGD C 2 . ? -11.702 55.023 42.456 1.00 7.98 ? 783 PGD A N7 1 -HETATM 6040 C C5 . PGD C 2 . ? -13.039 55.161 42.400 1.00 8.17 ? 783 PGD A C5 1 -HETATM 6041 C C6 . PGD C 2 . ? -14.031 54.780 43.294 1.00 8.24 ? 783 PGD A C6 1 -HETATM 6042 O O6 . PGD C 2 . ? -13.866 54.215 44.367 1.00 8.35 ? 783 PGD A O6 1 -HETATM 6043 N N1 . PGD C 2 . ? -15.320 55.052 42.939 1.00 6.86 ? 783 PGD A N1 1 -HETATM 6044 C C2 . PGD C 2 . ? -15.642 55.701 41.765 1.00 8.35 ? 783 PGD A C2 1 -HETATM 6045 N N2 . PGD C 2 . ? -17.002 55.946 41.493 1.00 6.93 ? 783 PGD A N2 1 -HETATM 6046 N N3 . PGD C 2 . ? -14.668 56.070 40.874 1.00 5.90 ? 783 PGD A N3 1 -HETATM 6047 C C4 . PGD C 2 . ? -13.385 55.779 41.239 1.00 9.13 ? 783 PGD A C4 1 -HETATM 6048 C C10 . PGD C 2 . ? -8.455 51.091 32.836 1.00 10.88 ? 783 PGD A C10 1 -HETATM 6049 C C11 . PGD C 2 . ? -8.085 50.766 31.365 1.00 9.86 ? 783 PGD A C11 1 -HETATM 6050 O O11 . PGD C 2 . ? -7.613 51.970 30.813 1.00 9.68 ? 783 PGD A O11 1 -HETATM 6051 C C12 . PGD C 2 . ? -7.050 49.667 31.356 1.00 8.99 ? 783 PGD A C12 1 -HETATM 6052 S S12 . PGD C 2 . ? -7.335 48.042 32.119 1.00 10.03 ? 783 PGD A S12 1 -HETATM 6053 C C13 . PGD C 2 . ? -5.947 49.751 30.583 1.00 7.79 ? 783 PGD A C13 1 -HETATM 6054 S S13 . PGD C 2 . ? -4.768 48.408 30.612 1.00 10.62 ? 783 PGD A S13 1 -HETATM 6055 C C14 . PGD C 2 . ? -5.619 50.990 29.814 1.00 7.57 ? 783 PGD A C14 1 -HETATM 6056 N N15 . PGD C 2 . ? -4.658 51.830 30.542 1.00 6.19 ? 783 PGD A N15 1 -HETATM 6057 C C16 . PGD C 2 . ? -4.533 53.195 30.109 1.00 5.46 ? 783 PGD A C16 1 -HETATM 6058 C C17 . PGD C 2 . ? -3.440 54.007 30.432 1.00 8.06 ? 783 PGD A C17 1 -HETATM 6059 O O17 . PGD C 2 . ? -2.525 53.603 31.135 1.00 7.11 ? 783 PGD A O17 1 -HETATM 6060 N N18 . PGD C 2 . ? -3.392 55.289 29.972 1.00 6.02 ? 783 PGD A N18 1 -HETATM 6061 C C19 . PGD C 2 . ? -4.382 55.799 29.199 1.00 7.91 ? 783 PGD A C19 1 -HETATM 6062 N N19 . PGD C 2 . ? -4.335 57.136 28.730 1.00 7.51 ? 783 PGD A N19 1 -HETATM 6063 N N20 . PGD C 2 . ? -5.446 55.027 28.866 1.00 7.75 ? 783 PGD A N20 1 -HETATM 6064 C C21 . PGD C 2 . ? -5.533 53.745 29.318 1.00 8.71 ? 783 PGD A C21 1 -HETATM 6065 N N22 . PGD C 2 . ? -6.684 52.986 28.925 1.00 7.50 ? 783 PGD A N22 1 -HETATM 6066 C C23 . PGD C 2 . ? -6.971 51.727 29.595 1.00 7.92 ? 783 PGD A C23 1 -HETATM 6067 MO MO . 6MO D 3 . ? -5.260 46.566 32.098 1.00 12.66 ? 784 6MO A MO 1 -HETATM 6068 O O . O E 4 . ? -4.487 45.347 32.673 1.00 12.85 ? 785 O A O 1 -HETATM 6069 O O . O F 4 . ? -4.732 45.468 30.758 1.00 9.84 ? 786 O A O 1 -HETATM 6070 O O . HOH G 5 . ? -8.489 43.959 38.393 1.00 9.64 ? 787 HOH A O 1 -HETATM 6071 O O . HOH G 5 . ? 11.202 51.187 48.255 1.00 9.56 ? 788 HOH A O 1 -HETATM 6072 O O . HOH G 5 . ? 3.764 49.389 18.333 1.00 11.25 ? 789 HOH A O 1 -HETATM 6073 O O . HOH G 5 . ? -12.776 48.643 18.885 1.00 10.07 ? 790 HOH A O 1 -HETATM 6074 O O . HOH G 5 . ? 6.648 49.962 12.349 1.00 8.77 ? 791 HOH A O 1 -HETATM 6075 O O . HOH G 5 . ? 10.069 55.624 28.135 1.00 7.84 ? 792 HOH A O 1 -HETATM 6076 O O . HOH G 5 . ? -16.061 40.028 47.291 1.00 13.46 ? 793 HOH A O 1 -HETATM 6077 O O . HOH G 5 . ? -10.001 51.203 19.876 1.00 12.74 ? 794 HOH A O 1 -HETATM 6078 O O . HOH G 5 . ? -10.996 54.677 50.555 1.00 11.39 ? 795 HOH A O 1 -HETATM 6079 O O . HOH G 5 . ? 4.405 49.873 22.982 1.00 7.44 ? 796 HOH A O 1 -HETATM 6080 O O . HOH G 5 . ? -14.711 60.222 35.062 1.00 10.02 ? 797 HOH A O 1 -HETATM 6081 O O . HOH G 5 . ? 2.199 37.749 37.311 1.00 11.78 ? 798 HOH A O 1 -HETATM 6082 O O . HOH G 5 . ? 1.601 49.727 35.959 1.00 9.60 ? 799 HOH A O 1 -HETATM 6083 O O . HOH G 5 . ? -8.857 36.780 38.690 1.00 11.13 ? 800 HOH A O 1 -HETATM 6084 O O . HOH G 5 . ? -12.188 54.697 32.695 1.00 9.39 ? 801 HOH A O 1 -HETATM 6085 O O . HOH G 5 . ? 0.488 61.168 38.900 1.00 9.72 ? 802 HOH A O 1 -HETATM 6086 O O . HOH G 5 . ? -4.945 38.252 39.964 1.00 10.95 ? 803 HOH A O 1 -HETATM 6087 O O . HOH G 5 . ? -9.178 43.254 40.895 1.00 8.85 ? 804 HOH A O 1 -HETATM 6088 O O . HOH G 5 . ? 7.388 35.555 33.760 1.00 13.54 ? 805 HOH A O 1 -HETATM 6089 O O . HOH G 5 . ? -20.293 44.719 29.153 1.00 8.96 ? 806 HOH A O 1 -HETATM 6090 O O . HOH G 5 . ? -8.654 51.806 25.932 1.00 12.35 ? 807 HOH A O 1 -HETATM 6091 O O . HOH G 5 . ? 8.563 53.213 27.751 1.00 10.87 ? 808 HOH A O 1 -HETATM 6092 O O . HOH G 5 . ? -9.508 63.159 32.589 1.00 12.51 ? 809 HOH A O 1 -HETATM 6093 O O . HOH G 5 . ? 3.241 55.907 40.005 1.00 8.50 ? 810 HOH A O 1 -HETATM 6094 O O . HOH G 5 . ? 6.088 44.654 15.530 1.00 10.71 ? 811 HOH A O 1 -HETATM 6095 O O . HOH G 5 . ? -5.633 40.907 39.197 1.00 8.59 ? 812 HOH A O 1 -HETATM 6096 O O . HOH G 5 . ? -9.214 59.865 35.472 1.00 8.27 ? 813 HOH A O 1 -HETATM 6097 O O . HOH G 5 . ? 5.547 42.769 21.532 1.00 10.16 ? 814 HOH A O 1 -HETATM 6098 O O . HOH G 5 . ? 16.606 40.205 44.372 1.00 14.00 ? 815 HOH A O 1 -HETATM 6099 O O . HOH G 5 . ? 8.491 41.209 19.967 1.00 10.55 ? 816 HOH A O 1 -HETATM 6100 O O . HOH G 5 . ? -3.251 44.032 45.750 1.00 9.37 ? 817 HOH A O 1 -HETATM 6101 O O . HOH G 5 . ? -31.601 48.455 33.372 1.00 12.89 ? 818 HOH A O 1 -HETATM 6102 O O . HOH G 5 . ? 7.255 49.087 20.051 1.00 9.82 ? 819 HOH A O 1 -HETATM 6103 O O . HOH G 5 . ? -7.552 61.835 36.202 1.00 10.86 ? 820 HOH A O 1 -HETATM 6104 O O . HOH G 5 . ? -16.843 43.632 39.988 1.00 11.42 ? 821 HOH A O 1 -HETATM 6105 O O . HOH G 5 . ? -8.469 48.677 19.712 1.00 11.76 ? 822 HOH A O 1 -HETATM 6106 O O . HOH G 5 . ? -16.040 32.509 36.838 1.00 15.44 ? 823 HOH A O 1 -HETATM 6107 O O . HOH G 5 . ? -8.100 59.357 39.066 1.00 14.87 ? 824 HOH A O 1 -HETATM 6108 O O . HOH G 5 . ? 1.250 38.331 45.142 1.00 10.58 ? 825 HOH A O 1 -HETATM 6109 O O . HOH G 5 . ? -5.454 55.380 14.721 1.00 12.23 ? 826 HOH A O 1 -HETATM 6110 O O . HOH G 5 . ? -1.702 42.514 44.168 1.00 10.66 ? 827 HOH A O 1 -HETATM 6111 O O . HOH G 5 . ? 4.310 42.282 46.806 1.00 11.12 ? 828 HOH A O 1 -HETATM 6112 O O . HOH G 5 . ? 1.908 41.552 20.084 1.00 8.91 ? 829 HOH A O 1 -HETATM 6113 O O . HOH G 5 . ? 17.344 55.691 13.165 1.00 12.45 ? 830 HOH A O 1 -HETATM 6114 O O . HOH G 5 . ? -2.606 52.614 54.707 1.00 15.11 ? 831 HOH A O 1 -HETATM 6115 O O . HOH G 5 . ? 8.206 51.338 29.879 1.00 8.50 ? 832 HOH A O 1 -HETATM 6116 O O . HOH G 5 . ? 16.674 48.434 22.919 1.00 10.91 ? 833 HOH A O 1 -HETATM 6117 O O . HOH G 5 . ? 2.708 50.281 20.682 1.00 8.38 ? 834 HOH A O 1 -HETATM 6118 O O . HOH G 5 . ? 9.603 52.706 50.829 1.00 12.51 ? 835 HOH A O 1 -HETATM 6119 O O . HOH G 5 . ? -12.274 54.492 21.623 1.00 8.99 ? 836 HOH A O 1 -HETATM 6120 O O . HOH G 5 . ? -28.859 46.200 27.237 1.00 15.49 ? 837 HOH A O 1 -HETATM 6121 O O . HOH G 5 . ? 2.883 52.144 39.531 1.00 8.79 ? 838 HOH A O 1 -HETATM 6122 O O . HOH G 5 . ? -15.120 46.314 50.823 1.00 12.92 ? 839 HOH A O 1 -HETATM 6123 O O . HOH G 5 . ? 7.583 51.540 25.749 1.00 13.32 ? 840 HOH A O 1 -HETATM 6124 O O . HOH G 5 . ? 3.307 39.539 -6.319 1.00 14.10 ? 841 HOH A O 1 -HETATM 6125 O O . HOH G 5 . ? 6.216 46.264 13.273 1.00 11.00 ? 842 HOH A O 1 -HETATM 6126 O O . HOH G 5 . ? 14.687 48.756 46.689 1.00 15.15 ? 843 HOH A O 1 -HETATM 6127 O O . HOH G 5 . ? 6.063 51.562 21.189 1.00 8.47 ? 844 HOH A O 1 -HETATM 6128 O O . HOH G 5 . ? 2.377 36.981 34.720 1.00 11.63 ? 845 HOH A O 1 -HETATM 6129 O O . HOH G 5 . ? 5.983 48.700 49.485 1.00 10.27 ? 846 HOH A O 1 -HETATM 6130 O O . HOH G 5 . ? 26.161 43.382 40.287 1.00 27.15 ? 847 HOH A O 1 -HETATM 6131 O O . HOH G 5 . ? -28.749 48.815 25.282 1.00 14.02 ? 848 HOH A O 1 -HETATM 6132 O O . HOH G 5 . ? 5.948 46.864 52.550 1.00 13.31 ? 849 HOH A O 1 -HETATM 6133 O O . HOH G 5 . ? -2.869 58.701 18.058 1.00 10.72 ? 850 HOH A O 1 -HETATM 6134 O O . HOH G 5 . ? -17.842 49.805 46.753 1.00 18.10 ? 851 HOH A O 1 -HETATM 6135 O O . HOH G 5 . ? -1.911 62.843 39.105 1.00 12.39 ? 852 HOH A O 1 -HETATM 6136 O O . HOH G 5 . ? -6.563 66.198 48.606 1.00 14.52 ? 853 HOH A O 1 -HETATM 6137 O O . HOH G 5 . ? -9.128 54.932 43.768 1.00 10.53 ? 854 HOH A O 1 -HETATM 6138 O O . HOH G 5 . ? 21.900 51.515 27.369 1.00 14.38 ? 855 HOH A O 1 -HETATM 6139 O O . HOH G 5 . ? -37.233 51.778 34.229 1.00 23.38 ? 856 HOH A O 1 -HETATM 6140 O O . HOH G 5 . ? 16.891 44.565 45.088 1.00 14.79 ? 857 HOH A O 1 -HETATM 6141 O O . HOH G 5 . ? 21.470 34.242 41.874 1.00 14.73 ? 858 HOH A O 1 -HETATM 6142 O O . HOH G 5 . ? -30.188 50.901 33.232 1.00 16.02 ? 859 HOH A O 1 -HETATM 6143 O O . HOH G 5 . ? 5.016 60.266 29.565 1.00 10.09 ? 860 HOH A O 1 -HETATM 6144 O O . HOH G 5 . ? -9.776 53.615 21.105 1.00 12.42 ? 861 HOH A O 1 -HETATM 6145 O O . HOH G 5 . ? 7.414 29.584 44.592 1.00 15.44 ? 862 HOH A O 1 -HETATM 6146 O O . HOH G 5 . ? 18.350 53.251 12.959 1.00 18.35 ? 863 HOH A O 1 -HETATM 6147 O O . HOH G 5 . ? 23.758 44.182 40.837 1.00 18.27 ? 864 HOH A O 1 -HETATM 6148 O O . HOH G 5 . ? -24.398 31.528 39.751 1.00 12.28 ? 865 HOH A O 1 -HETATM 6149 O O . HOH G 5 . ? -9.108 58.058 56.803 1.00 19.57 ? 866 HOH A O 1 -HETATM 6150 O O . HOH G 5 . ? -21.516 46.192 16.603 1.00 14.40 ? 867 HOH A O 1 -HETATM 6151 O O . HOH G 5 . ? -22.464 29.891 38.824 1.00 15.51 ? 868 HOH A O 1 -HETATM 6152 O O . HOH G 5 . ? 12.659 57.130 37.627 1.00 12.12 ? 869 HOH A O 1 -HETATM 6153 O O . HOH G 5 . ? -33.620 54.599 51.033 1.00 18.39 ? 870 HOH A O 1 -HETATM 6154 O O . HOH G 5 . ? 9.919 39.892 18.142 1.00 11.21 ? 871 HOH A O 1 -HETATM 6155 O O . HOH G 5 . ? -13.166 48.200 48.200 1.00 11.19 ? 872 HOH A O 1 -HETATM 6156 O O . HOH G 5 . ? 10.442 46.117 31.723 1.00 10.15 ? 873 HOH A O 1 -HETATM 6157 O O . HOH G 5 . ? -19.285 31.906 49.266 1.00 19.52 ? 874 HOH A O 1 -HETATM 6158 O O . HOH G 5 . ? 12.722 47.569 50.409 1.00 17.58 ? 875 HOH A O 1 -HETATM 6159 O O . HOH G 5 . ? 13.886 62.032 26.176 1.00 18.96 ? 876 HOH A O 1 -HETATM 6160 O O . HOH G 5 . ? -18.379 45.041 49.953 1.00 17.47 ? 877 HOH A O 1 -HETATM 6161 O O . HOH G 5 . ? 7.177 53.111 22.992 1.00 16.88 ? 878 HOH A O 1 -HETATM 6162 O O . HOH G 5 . ? 17.194 50.844 40.588 1.00 21.84 ? 879 HOH A O 1 -HETATM 6163 O O . HOH G 5 . ? -15.078 48.249 45.600 1.00 18.23 ? 880 HOH A O 1 -HETATM 6164 O O . HOH G 5 . ? 1.372 50.680 6.243 1.00 14.73 ? 881 HOH A O 1 -HETATM 6165 O O . HOH G 5 . ? -6.154 36.978 37.914 1.00 14.58 ? 882 HOH A O 1 -HETATM 6166 O O . HOH G 5 . ? 22.059 45.745 39.180 1.00 18.26 ? 883 HOH A O 1 -HETATM 6167 O O . HOH G 5 . ? -23.541 44.472 54.946 1.00 19.99 ? 884 HOH A O 1 -HETATM 6168 O O . HOH G 5 . ? -21.428 44.918 10.572 1.00 20.57 ? 885 HOH A O 1 -HETATM 6169 O O . HOH G 5 . ? 6.209 25.673 21.168 1.00 24.23 ? 886 HOH A O 1 -HETATM 6170 O O . HOH G 5 . ? 2.824 40.348 37.904 1.00 10.63 ? 887 HOH A O 1 -HETATM 6171 O O . HOH G 5 . ? -28.655 30.354 41.994 1.00 24.95 ? 888 HOH A O 1 -HETATM 6172 O O . HOH G 5 . ? 15.066 42.391 44.532 1.00 16.10 ? 889 HOH A O 1 -HETATM 6173 O O . HOH G 5 . ? -20.827 67.475 19.794 1.00 23.06 ? 890 HOH A O 1 -HETATM 6174 O O . HOH G 5 . ? -24.669 44.719 29.080 1.00 18.60 ? 891 HOH A O 1 -HETATM 6175 O O . HOH G 5 . ? -15.903 51.458 45.189 1.00 16.98 ? 892 HOH A O 1 -HETATM 6176 O O . HOH G 5 . ? -6.990 59.733 21.636 1.00 13.57 ? 893 HOH A O 1 -HETATM 6177 O O . HOH G 5 . ? 21.187 45.532 16.239 1.00 24.68 ? 894 HOH A O 1 -HETATM 6178 O O . HOH G 5 . ? 14.177 53.057 35.409 1.00 24.79 ? 895 HOH A O 1 -HETATM 6179 O O . HOH G 5 . ? -12.661 49.511 56.843 1.00 16.12 ? 896 HOH A O 1 -HETATM 6180 O O . HOH G 5 . ? 1.701 37.689 29.014 1.00 15.06 ? 897 HOH A O 1 -HETATM 6181 O O . HOH G 5 . ? 14.969 58.978 29.637 1.00 14.65 ? 898 HOH A O 1 -HETATM 6182 O O . HOH G 5 . ? 15.162 48.176 49.260 1.00 14.58 ? 899 HOH A O 1 -HETATM 6183 O O . HOH G 5 . ? 1.116 39.960 27.145 1.00 14.26 ? 900 HOH A O 1 -HETATM 6184 O O . HOH G 5 . ? 9.113 49.844 5.243 1.00 24.45 ? 901 HOH A O 1 -HETATM 6185 O O . HOH G 5 . ? 12.749 32.546 11.137 1.00 22.39 ? 902 HOH A O 1 -HETATM 6186 O O . HOH G 5 . ? 15.590 56.023 52.117 1.00 18.13 ? 903 HOH A O 1 -HETATM 6187 O O . HOH G 5 . ? -7.303 38.832 50.747 1.00 31.37 ? 904 HOH A O 1 -HETATM 6188 O O . HOH G 5 . ? 5.139 44.021 18.404 1.00 21.54 ? 905 HOH A O 1 -HETATM 6189 O O . HOH G 5 . ? 16.361 41.476 15.093 1.00 22.56 ? 906 HOH A O 1 -HETATM 6190 O O . HOH G 5 . ? -18.666 61.946 49.435 1.00 15.34 ? 907 HOH A O 1 -HETATM 6191 O O . HOH G 5 . ? -17.980 51.255 30.385 1.00 14.48 ? 908 HOH A O 1 -HETATM 6192 O O . HOH G 5 . ? -0.483 44.002 23.398 1.00 14.14 ? 909 HOH A O 1 -HETATM 6193 O O . HOH G 5 . ? -27.393 45.714 29.475 1.00 16.08 ? 910 HOH A O 1 -HETATM 6194 O O . HOH G 5 . ? -23.730 47.559 26.416 1.00 16.52 ? 911 HOH A O 1 -HETATM 6195 O O . HOH G 5 . ? -14.673 55.316 52.642 1.00 20.37 ? 912 HOH A O 1 -HETATM 6196 O O . HOH G 5 . ? 17.496 53.661 9.705 1.00 19.52 ? 913 HOH A O 1 -HETATM 6197 O O . HOH G 5 . ? -11.814 26.945 47.351 1.00 20.06 ? 914 HOH A O 1 -HETATM 6198 O O . HOH G 5 . ? 4.055 49.369 34.455 1.00 11.32 ? 915 HOH A O 1 -HETATM 6199 O O . HOH G 5 . ? -3.124 58.442 15.302 1.00 13.64 ? 916 HOH A O 1 -HETATM 6200 O O . HOH G 5 . ? -17.096 51.055 12.766 1.00 20.18 ? 917 HOH A O 1 -HETATM 6201 O O . HOH G 5 . ? -35.191 36.885 41.296 1.00 19.82 ? 918 HOH A O 1 -HETATM 6202 O O . HOH G 5 . ? 18.994 17.246 27.881 1.00 12.70 ? 919 HOH A O 1 -HETATM 6203 O O . HOH G 5 . ? 12.227 63.980 35.892 1.00 16.75 ? 920 HOH A O 1 -HETATM 6204 O O . HOH G 5 . ? 13.757 61.173 29.075 1.00 17.57 ? 921 HOH A O 1 -HETATM 6205 O O . HOH G 5 . ? 3.934 53.346 4.005 1.00 20.60 ? 922 HOH A O 1 -HETATM 6206 O O . HOH G 5 . ? 20.655 55.324 36.267 1.00 22.10 ? 923 HOH A O 1 -HETATM 6207 O O . HOH G 5 . ? 22.582 23.977 31.306 1.00 21.64 ? 924 HOH A O 1 -HETATM 6208 O O . HOH G 5 . ? 0.284 36.192 32.784 1.00 21.69 ? 925 HOH A O 1 -HETATM 6209 O O . HOH G 5 . ? 4.034 24.056 30.478 1.00 25.94 ? 926 HOH A O 1 -HETATM 6210 O O . HOH G 5 . ? -12.663 55.734 14.055 1.00 32.96 ? 927 HOH A O 1 -HETATM 6211 O O . HOH G 5 . ? 0.767 36.754 24.470 1.00 20.35 ? 928 HOH A O 1 -HETATM 6212 O O . HOH G 5 . ? -24.051 38.517 52.881 1.00 22.75 ? 929 HOH A O 1 -HETATM 6213 O O . HOH G 5 . ? 17.387 60.578 35.917 1.00 19.09 ? 930 HOH A O 1 -HETATM 6214 O O . HOH G 5 . ? -13.910 66.130 42.580 1.00 22.97 ? 931 HOH A O 1 -HETATM 6215 O O . HOH G 5 . ? 12.817 43.451 9.378 1.00 20.09 ? 932 HOH A O 1 -HETATM 6216 O O . HOH G 5 . ? -0.205 61.684 32.976 1.00 19.53 ? 933 HOH A O 1 -HETATM 6217 O O . HOH G 5 . ? -19.740 48.909 57.659 1.00 15.96 ? 934 HOH A O 1 -HETATM 6218 O O . HOH G 5 . ? -21.444 64.135 45.652 1.00 25.27 ? 935 HOH A O 1 -HETATM 6219 O O . HOH G 5 . ? -17.641 44.083 57.157 1.00 27.31 ? 936 HOH A O 1 -HETATM 6220 O O . HOH G 5 . ? 27.900 43.983 23.314 1.00 15.91 ? 937 HOH A O 1 -HETATM 6221 O O . HOH G 5 . ? -4.010 75.528 49.647 1.00 26.47 ? 938 HOH A O 1 -HETATM 6222 O O . HOH G 5 . ? 21.479 36.804 41.169 1.00 17.99 ? 939 HOH A O 1 -HETATM 6223 O O . HOH G 5 . ? -29.839 51.775 58.750 1.00 27.06 ? 940 HOH A O 1 -HETATM 6224 O O . HOH G 5 . ? -5.038 42.021 -5.603 1.00 30.06 ? 941 HOH A O 1 -HETATM 6225 O O . HOH G 5 . ? -18.480 70.578 22.274 1.00 22.28 ? 942 HOH A O 1 -HETATM 6226 O O . HOH G 5 . ? -4.592 37.606 49.758 1.00 21.26 ? 943 HOH A O 1 -HETATM 6227 O O . HOH G 5 . ? 14.266 59.117 38.666 1.00 19.53 ? 944 HOH A O 1 -HETATM 6228 O O . HOH G 5 . ? -5.266 52.245 63.034 1.00 19.34 ? 945 HOH A O 1 -HETATM 6229 O O . HOH G 5 . ? 13.766 44.064 14.882 1.00 16.14 ? 946 HOH A O 1 -HETATM 6230 O O . HOH G 5 . ? -8.864 66.620 36.130 1.00 42.19 ? 947 HOH A O 1 -HETATM 6231 O O . HOH G 5 . ? 26.861 28.308 21.210 1.00 39.43 ? 948 HOH A O 1 -HETATM 6232 O O . HOH G 5 . ? -22.397 68.656 39.644 1.00 25.89 ? 949 HOH A O 1 -HETATM 6233 O O . HOH G 5 . ? -0.989 63.189 18.070 1.00 26.64 ? 950 HOH A O 1 -HETATM 6234 O O . HOH G 5 . ? -3.683 48.313 47.889 1.00 18.86 ? 951 HOH A O 1 -HETATM 6235 O O . HOH G 5 . ? -23.824 54.785 57.946 1.00 19.55 ? 952 HOH A O 1 -HETATM 6236 O O . HOH G 5 . ? 23.161 48.386 27.480 1.00 26.52 ? 953 HOH A O 1 -HETATM 6237 O O . HOH G 5 . ? -29.952 64.643 52.008 1.00 28.79 ? 954 HOH A O 1 -HETATM 6238 O O . HOH G 5 . ? 3.984 44.010 53.239 1.00 30.52 ? 955 HOH A O 1 -HETATM 6239 O O . HOH G 5 . ? -2.929 59.690 6.917 1.00 28.21 ? 956 HOH A O 1 -HETATM 6240 O O . HOH G 5 . ? -1.991 39.905 21.851 1.00 25.94 ? 957 HOH A O 1 -HETATM 6241 O O . HOH G 5 . ? -0.179 51.281 55.625 1.00 15.09 ? 958 HOH A O 1 -HETATM 6242 O O . HOH G 5 . ? 15.315 46.898 44.790 1.00 12.50 ? 959 HOH A O 1 -HETATM 6243 O O . HOH G 5 . ? 6.217 49.543 1.350 1.00 30.05 ? 960 HOH A O 1 -HETATM 6244 O O . HOH G 5 . ? -11.444 42.651 16.350 1.00 27.03 ? 961 HOH A O 1 -HETATM 6245 O O . HOH G 5 . ? -2.343 36.639 -0.961 1.00 26.51 ? 962 HOH A O 1 -HETATM 6246 O O . HOH G 5 . ? 13.581 17.532 24.210 1.00 33.86 ? 963 HOH A O 1 -HETATM 6247 O O . HOH G 5 . ? 1.996 51.824 3.662 1.00 25.15 ? 964 HOH A O 1 -HETATM 6248 O O . HOH G 5 . ? 6.172 63.731 15.892 1.00 27.27 ? 965 HOH A O 1 -HETATM 6249 O O . HOH G 5 . ? -18.193 55.174 17.133 1.00 21.27 ? 966 HOH A O 1 -HETATM 6250 O O . HOH G 5 . ? -14.031 49.765 8.244 1.00 24.90 ? 967 HOH A O 1 -HETATM 6251 O O . HOH G 5 . ? -1.450 38.258 50.173 1.00 24.26 ? 968 HOH A O 1 -HETATM 6252 O O . HOH G 5 . ? 14.366 44.560 11.235 1.00 22.88 ? 969 HOH A O 1 -HETATM 6253 O O . HOH G 5 . ? 4.135 32.368 3.824 1.00 26.04 ? 970 HOH A O 1 -HETATM 6254 O O . HOH G 5 . ? 20.069 51.117 38.119 1.00 21.62 ? 971 HOH A O 1 -HETATM 6255 O O . HOH G 5 . ? 20.070 44.021 38.444 1.00 12.29 ? 972 HOH A O 1 -HETATM 6256 O O . HOH G 5 . ? 18.724 43.291 15.001 1.00 27.22 ? 973 HOH A O 1 -HETATM 6257 O O . HOH G 5 . ? -6.718 43.606 29.426 1.00 36.61 ? 974 HOH A O 1 -HETATM 6258 O O . HOH G 5 . ? 0.300 36.340 17.928 1.00 18.94 ? 975 HOH A O 1 -HETATM 6259 O O . HOH G 5 . ? 3.744 62.799 57.736 1.00 30.89 ? 976 HOH A O 1 -HETATM 6260 O O . HOH G 5 . ? -0.450 27.565 30.396 1.00 25.65 ? 977 HOH A O 1 -HETATM 6261 O O . HOH G 5 . ? 22.567 33.307 46.609 1.00 31.12 ? 978 HOH A O 1 -HETATM 6262 O O . HOH G 5 . ? 8.599 39.560 50.941 1.00 28.64 ? 979 HOH A O 1 -HETATM 6263 O O . HOH G 5 . ? -14.328 68.351 47.912 1.00 32.57 ? 980 HOH A O 1 -HETATM 6264 O O . HOH G 5 . ? 16.422 20.074 24.843 1.00 23.41 ? 981 HOH A O 1 -HETATM 6265 O O . HOH G 5 . ? -4.918 35.462 48.657 1.00 25.18 ? 982 HOH A O 1 -HETATM 6266 O O . HOH G 5 . ? 0.803 38.532 -3.414 1.00 26.28 ? 983 HOH A O 1 -HETATM 6267 O O . HOH G 5 . ? -43.178 48.557 41.415 1.00 38.16 ? 984 HOH A O 1 -HETATM 6268 O O . HOH G 5 . ? 6.730 23.095 42.555 1.00 24.97 ? 985 HOH A O 1 -HETATM 6269 O O . HOH G 5 . ? -6.287 62.630 12.485 1.00 26.99 ? 986 HOH A O 1 -HETATM 6270 O O . HOH G 5 . ? -15.440 48.557 49.359 1.00 21.67 ? 987 HOH A O 1 -HETATM 6271 O O . HOH G 5 . ? -6.827 67.579 55.558 1.00 28.06 ? 988 HOH A O 1 -HETATM 6272 O O . HOH G 5 . ? -17.136 68.888 39.878 1.00 23.47 ? 989 HOH A O 1 -HETATM 6273 O O . HOH G 5 . ? 6.865 76.330 49.265 1.00 44.89 ? 990 HOH A O 1 -HETATM 6274 O O . HOH G 5 . ? -13.450 34.156 33.865 1.00 24.03 ? 991 HOH A O 1 -HETATM 6275 O O . HOH G 5 . ? -29.011 66.308 44.136 1.00 63.73 ? 992 HOH A O 1 -HETATM 6276 O O . HOH G 5 . ? -8.932 41.264 11.935 1.00 24.28 ? 993 HOH A O 1 -HETATM 6277 O O . HOH G 5 . ? -9.840 48.878 1.972 1.00 27.36 ? 994 HOH A O 1 -HETATM 6278 O O . HOH G 5 . ? 21.160 23.632 39.409 1.00 24.88 ? 995 HOH A O 1 -HETATM 6279 O O . HOH G 5 . ? -37.172 53.209 29.656 1.00 30.36 ? 996 HOH A O 1 -HETATM 6280 O O . HOH G 5 . ? -2.549 36.445 32.112 1.00 25.81 ? 997 HOH A O 1 -HETATM 6281 O O . HOH G 5 . ? -24.708 34.170 29.041 1.00 21.84 ? 998 HOH A O 1 -HETATM 6282 O O . HOH G 5 . ? -7.627 63.031 24.944 1.00 36.94 ? 999 HOH A O 1 -HETATM 6283 O O . HOH G 5 . ? -6.909 39.342 29.736 1.00 27.10 ? 1000 HOH A O 1 -HETATM 6284 O O . HOH G 5 . ? 12.786 39.051 13.434 1.00 22.76 ? 1001 HOH A O 1 -HETATM 6285 O O . HOH G 5 . ? -14.403 64.296 22.654 1.00 32.83 ? 1002 HOH A O 1 -HETATM 6286 O O . HOH G 5 . ? 4.766 56.004 57.176 1.00 32.49 ? 1003 HOH A O 1 -HETATM 6287 O O . HOH G 5 . ? -22.782 57.710 17.410 1.00 26.34 ? 1004 HOH A O 1 -HETATM 6288 O O . HOH G 5 . ? 30.482 48.865 29.875 1.00 39.23 ? 1005 HOH A O 1 -HETATM 6289 O O . HOH G 5 . ? 19.952 56.533 23.463 1.00 27.22 ? 1006 HOH A O 1 -HETATM 6290 O O . HOH G 5 . ? -0.428 33.168 50.929 1.00 44.74 ? 1007 HOH A O 1 -HETATM 6291 O O . HOH G 5 . ? 22.679 52.552 16.324 1.00 30.52 ? 1008 HOH A O 1 -HETATM 6292 O O . HOH G 5 . ? 3.900 69.056 55.822 1.00 26.86 ? 1009 HOH A O 1 -HETATM 6293 O O . HOH G 5 . ? -10.869 51.553 57.356 1.00 24.81 ? 1010 HOH A O 1 -HETATM 6294 O O . HOH G 5 . ? -5.183 34.961 10.144 1.00 21.51 ? 1011 HOH A O 1 -HETATM 6295 O O . HOH G 5 . ? -20.510 64.311 48.270 1.00 25.81 ? 1012 HOH A O 1 -HETATM 6296 O O . HOH G 5 . ? -2.706 33.771 48.491 1.00 32.73 ? 1013 HOH A O 1 -HETATM 6297 O O . HOH G 5 . ? 11.414 20.066 32.292 1.00 31.05 ? 1014 HOH A O 1 -HETATM 6298 O O . HOH G 5 . ? -27.375 27.835 30.557 1.00 33.40 ? 1015 HOH A O 1 -HETATM 6299 O O . HOH G 5 . ? -8.557 41.987 20.672 1.00 28.51 ? 1016 HOH A O 1 -HETATM 6300 O O . HOH G 5 . ? -3.943 48.895 56.951 1.00 37.80 ? 1017 HOH A O 1 -HETATM 6301 O O . HOH G 5 . ? -18.470 40.403 21.782 1.00 20.88 ? 1018 HOH A O 1 -HETATM 6302 O O . HOH G 5 . ? 9.166 63.496 19.891 1.00 36.44 ? 1019 HOH A O 1 -HETATM 6303 O O . HOH G 5 . ? 22.715 42.715 16.816 1.00 30.25 ? 1020 HOH A O 1 -HETATM 6304 O O . HOH G 5 . ? 15.637 57.570 -0.001 1.00 20.71 ? 1021 HOH A O 1 -HETATM 6305 O O . HOH G 5 . ? -12.822 64.084 18.376 1.00 29.64 ? 1022 HOH A O 1 -HETATM 6306 O O . HOH G 5 . ? 9.822 42.974 30.309 1.00 21.57 ? 1023 HOH A O 1 -HETATM 6307 O O . HOH G 5 . ? -29.170 43.405 18.520 1.00 31.81 ? 1024 HOH A O 1 -HETATM 6308 O O . HOH G 5 . ? -9.027 36.235 50.667 1.00 30.67 ? 1025 HOH A O 1 -HETATM 6309 O O . HOH G 5 . ? -17.765 58.383 56.023 1.00 35.21 ? 1026 HOH A O 1 -HETATM 6310 O O . HOH G 5 . ? -21.774 42.468 10.918 1.00 47.39 ? 1027 HOH A O 1 -HETATM 6311 O O . HOH G 5 . ? 12.033 63.117 4.409 1.00 30.99 ? 1028 HOH A O 1 -HETATM 6312 O O . HOH G 5 . ? -22.229 49.845 58.316 1.00 27.69 ? 1029 HOH A O 1 -HETATM 6313 O O . HOH G 5 . ? 4.497 23.128 45.241 1.00 34.79 ? 1030 HOH A O 1 -HETATM 6314 O O . HOH G 5 . ? 19.570 53.890 39.136 1.00 46.66 ? 1031 HOH A O 1 -HETATM 6315 O O . HOH G 5 . ? 3.635 26.621 14.750 1.00 35.20 ? 1032 HOH A O 1 -HETATM 6316 O O . HOH G 5 . ? 24.170 27.755 33.883 1.00 33.11 ? 1033 HOH A O 1 -HETATM 6317 O O . HOH G 5 . ? 16.773 53.624 39.258 1.00 25.46 ? 1034 HOH A O 1 -HETATM 6318 O O . HOH G 5 . ? 7.957 46.793 4.685 1.00 23.54 ? 1035 HOH A O 1 -HETATM 6319 O O . HOH G 5 . ? 17.961 34.255 15.496 1.00 25.16 ? 1036 HOH A O 1 -HETATM 6320 O O . HOH G 5 . ? -9.013 35.068 36.236 1.00 24.97 ? 1037 HOH A O 1 -HETATM 6321 O O . HOH G 5 . ? 1.624 65.567 57.610 1.00 35.21 ? 1038 HOH A O 1 -HETATM 6322 O O . HOH G 5 . ? -29.137 38.198 24.295 1.00 24.18 ? 1039 HOH A O 1 -HETATM 6323 O O . HOH G 5 . ? -20.522 42.991 56.336 1.00 45.61 ? 1040 HOH A O 1 -HETATM 6324 O O . HOH G 5 . ? 17.768 53.389 41.905 1.00 34.59 ? 1041 HOH A O 1 -HETATM 6325 O O . HOH G 5 . ? -6.431 59.594 60.114 1.00 54.26 ? 1042 HOH A O 1 -HETATM 6326 O O . HOH G 5 . ? 13.365 67.218 44.423 1.00 29.83 ? 1043 HOH A O 1 -HETATM 6327 O O . HOH G 5 . ? -18.870 24.518 40.948 1.00 38.16 ? 1044 HOH A O 1 -HETATM 6328 O O . HOH G 5 . ? 9.837 69.154 36.565 1.00 28.70 ? 1045 HOH A O 1 -HETATM 6329 O O . HOH G 5 . ? -0.826 30.663 21.430 1.00 26.78 ? 1046 HOH A O 1 -HETATM 6330 O O . HOH G 5 . ? 12.812 18.033 34.808 1.00 38.44 ? 1047 HOH A O 1 -HETATM 6331 O O . HOH G 5 . ? -2.050 22.061 42.799 1.00 35.99 ? 1048 HOH A O 1 -HETATM 6332 O O . HOH G 5 . ? -35.269 62.583 40.295 1.00 28.25 ? 1049 HOH A O 1 -HETATM 6333 O O . HOH G 5 . ? -30.664 31.662 42.359 1.00 27.35 ? 1050 HOH A O 1 -HETATM 6334 O O . HOH G 5 . ? -40.272 41.286 43.608 1.00 37.96 ? 1051 HOH A O 1 -HETATM 6335 O O . HOH G 5 . ? 27.377 41.664 20.473 1.00 27.47 ? 1052 HOH A O 1 -HETATM 6336 O O . HOH G 5 . ? -18.065 72.217 30.466 1.00 50.90 ? 1053 HOH A O 1 -HETATM 6337 O O . HOH G 5 . ? -27.997 70.289 21.704 1.00 55.87 ? 1054 HOH A O 1 -HETATM 6338 O O . HOH G 5 . ? -26.400 40.133 23.575 1.00 31.21 ? 1055 HOH A O 1 -HETATM 6339 O O . HOH G 5 . ? -38.645 49.201 33.443 1.00 30.25 ? 1056 HOH A O 1 -HETATM 6340 O O . HOH G 5 . ? 1.376 26.231 32.194 1.00 31.13 ? 1057 HOH A O 1 -HETATM 6341 O O . HOH G 5 . ? -10.445 39.155 52.503 1.00 27.48 ? 1058 HOH A O 1 -HETATM 6342 O O . HOH G 5 . ? -6.822 31.399 49.453 1.00 20.42 ? 1059 HOH A O 1 -HETATM 6343 O O . HOH G 5 . ? -36.939 63.076 43.146 1.00 45.04 ? 1060 HOH A O 1 -HETATM 6344 O O . HOH G 5 . ? -19.578 71.457 28.595 1.00 30.17 ? 1061 HOH A O 1 -HETATM 6345 O O . HOH G 5 . ? -1.105 64.267 33.294 1.00 30.14 ? 1062 HOH A O 1 -HETATM 6346 O O . HOH G 5 . ? -13.969 63.420 51.800 1.00 28.95 ? 1063 HOH A O 1 -HETATM 6347 O O . HOH G 5 . ? 21.002 51.330 45.011 1.00 26.37 ? 1064 HOH A O 1 -HETATM 6348 O O . HOH G 5 . ? 13.321 37.169 10.155 1.00 79.02 ? 1065 HOH A O 1 -HETATM 6349 O O . HOH G 5 . ? 27.103 45.469 43.159 1.00 30.64 ? 1066 HOH A O 1 -HETATM 6350 O O . HOH G 5 . ? -16.965 34.020 28.997 1.00 36.51 ? 1067 HOH A O 1 -HETATM 6351 O O . HOH G 5 . ? 15.175 29.801 45.846 1.00 36.70 ? 1068 HOH A O 1 -HETATM 6352 O O . HOH G 5 . ? -30.435 30.711 21.117 1.00 43.00 ? 1069 HOH A O 1 -HETATM 6353 O O . HOH G 5 . ? -11.267 56.470 63.667 1.00 42.01 ? 1070 HOH A O 1 -HETATM 6354 O O . HOH G 5 . ? -5.886 51.490 58.619 1.00 24.53 ? 1071 HOH A O 1 -HETATM 6355 O O . HOH G 5 . ? -13.447 69.599 44.995 1.00 31.67 ? 1072 HOH A O 1 -HETATM 6356 O O . HOH G 5 . ? -5.157 40.215 20.097 1.00 36.37 ? 1073 HOH A O 1 -HETATM 6357 O O . HOH G 5 . ? -18.756 62.797 55.036 1.00 50.18 ? 1074 HOH A O 1 -HETATM 6358 O O . HOH G 5 . ? 12.025 26.926 47.978 1.00 41.81 ? 1075 HOH A O 1 -HETATM 6359 O O . HOH G 5 . ? 2.768 24.681 11.806 1.00 91.42 ? 1076 HOH A O 1 -HETATM 6360 O O . HOH G 5 . ? -41.123 40.450 41.156 1.00 28.05 ? 1077 HOH A O 1 -HETATM 6361 O O . HOH G 5 . ? -18.480 27.307 40.307 1.00 40.70 ? 1078 HOH A O 1 -HETATM 6362 O O . HOH G 5 . ? -28.974 35.163 25.435 1.00 25.43 ? 1079 HOH A O 1 -HETATM 6363 O O . HOH G 5 . ? -13.814 71.662 47.078 1.00 48.76 ? 1080 HOH A O 1 -HETATM 6364 O O . HOH G 5 . ? -7.592 73.255 55.723 1.00 40.34 ? 1081 HOH A O 1 -HETATM 6365 O O . HOH G 5 . ? 3.075 65.554 28.695 1.00 29.84 ? 1082 HOH A O 1 -HETATM 6366 O O . HOH G 5 . ? 14.621 64.616 34.716 1.00 41.03 ? 1083 HOH A O 1 -HETATM 6367 O O . HOH G 5 . ? -35.772 56.635 24.274 1.00 35.04 ? 1084 HOH A O 1 -HETATM 6368 O O . HOH G 5 . ? 30.456 49.521 26.089 1.00 34.51 ? 1085 HOH A O 1 -HETATM 6369 O O . HOH G 5 . ? 0.762 41.145 51.675 1.00 32.54 ? 1086 HOH A O 1 -HETATM 6370 O O . HOH G 5 . ? -14.028 62.761 16.894 1.00 37.43 ? 1087 HOH A O 1 -HETATM 6371 O O . HOH G 5 . ? -8.880 43.413 23.879 1.00 41.60 ? 1088 HOH A O 1 -HETATM 6372 O O . HOH G 5 . ? 14.549 20.422 29.462 1.00 22.55 ? 1089 HOH A O 1 -HETATM 6373 O O . HOH G 5 . ? 16.136 16.942 25.017 1.00 14.36 ? 1090 HOH A O 1 -HETATM 6374 O O . HOH G 5 . ? 20.719 54.634 26.177 1.00 23.21 ? 1091 HOH A O 1 -HETATM 6375 O O . HOH G 5 . ? 14.442 50.348 39.939 1.00 15.35 ? 1092 HOH A O 1 -HETATM 6376 O O . HOH G 5 . ? -1.937 43.432 20.622 1.00 18.49 ? 1093 HOH A O 1 -HETATM 6377 O O . HOH G 5 . ? 1.564 61.531 34.962 1.00 25.90 ? 1094 HOH A O 1 -HETATM 6378 O O . HOH G 5 . ? -25.844 28.909 41.010 1.00 23.01 ? 1095 HOH A O 1 -HETATM 6379 O O . HOH G 5 . ? -17.553 47.052 48.138 1.00 24.64 ? 1096 HOH A O 1 -HETATM 6380 O O . HOH G 5 . ? 14.750 53.906 7.109 1.00 23.10 ? 1097 HOH A O 1 -HETATM 6381 O O . HOH G 5 . ? -15.894 53.066 23.540 1.00 18.17 ? 1098 HOH A O 1 -HETATM 6382 O O . HOH G 5 . ? -21.205 69.873 21.055 1.00 33.48 ? 1099 HOH A O 1 -HETATM 6383 O O . HOH G 5 . ? 5.161 62.321 9.319 1.00 20.37 ? 1100 HOH A O 1 -HETATM 6384 O O . HOH G 5 . ? 12.119 45.182 51.287 1.00 29.15 ? 1101 HOH A O 1 -HETATM 6385 O O . HOH G 5 . ? -4.640 53.149 56.702 1.00 26.59 ? 1102 HOH A O 1 -HETATM 6386 O O . HOH G 5 . ? 9.160 52.500 54.212 1.00 26.47 ? 1103 HOH A O 1 -HETATM 6387 O O . HOH G 5 . ? 13.811 44.267 6.943 1.00 27.28 ? 1104 HOH A O 1 -HETATM 6388 O O . HOH G 5 . ? -2.042 64.840 36.941 1.00 32.90 ? 1105 HOH A O 1 -HETATM 6389 O O . HOH G 5 . ? 5.320 75.128 51.532 1.00 28.49 ? 1106 HOH A O 1 -HETATM 6390 O O . HOH G 5 . ? 26.517 51.112 36.130 1.00 29.30 ? 1107 HOH A O 1 -HETATM 6391 O O . HOH G 5 . ? -23.327 33.662 51.462 1.00 27.33 ? 1108 HOH A O 1 -HETATM 6392 O O . HOH G 5 . ? -26.265 72.899 22.076 1.00 35.24 ? 1109 HOH A O 1 -HETATM 6393 O O . HOH G 5 . ? -20.587 56.677 16.530 1.00 34.15 ? 1110 HOH A O 1 -HETATM 6394 O O . HOH G 5 . ? 14.317 53.623 38.072 1.00 26.74 ? 1111 HOH A O 1 -HETATM 6395 O O . HOH G 5 . ? -12.534 40.462 54.042 1.00 29.60 ? 1112 HOH A O 1 -HETATM 6396 O O . HOH G 5 . ? 6.946 40.880 -1.683 1.00 35.96 ? 1113 HOH A O 1 -HETATM 6397 O O . HOH G 5 . ? -8.133 63.996 34.622 1.00 31.32 ? 1114 HOH A O 1 -HETATM 6398 O O . HOH G 5 . ? -14.060 66.601 16.675 1.00 28.83 ? 1115 HOH A O 1 -HETATM 6399 O O . HOH G 5 . ? 28.236 37.908 19.551 1.00 25.20 ? 1116 HOH A O 1 -HETATM 6400 O O . HOH G 5 . ? -20.171 62.403 16.332 1.00 31.18 ? 1117 HOH A O 1 -HETATM 6401 O O . HOH G 5 . ? -34.614 56.107 53.128 1.00 35.02 ? 1118 HOH A O 1 -HETATM 6402 O O . HOH G 5 . ? -11.779 57.273 60.790 1.00 23.57 ? 1119 HOH A O 1 -HETATM 6403 O O . HOH G 5 . ? -0.885 60.851 8.388 1.00 33.24 ? 1120 HOH A O 1 -HETATM 6404 O O . HOH G 5 . ? 2.017 29.210 15.268 1.00 26.69 ? 1121 HOH A O 1 -HETATM 6405 O O . HOH G 5 . ? 12.709 41.519 12.052 1.00 28.01 ? 1122 HOH A O 1 -HETATM 6406 O O . HOH G 5 . ? -2.470 62.437 26.036 1.00 33.51 ? 1123 HOH A O 1 -HETATM 6407 O O . HOH G 5 . ? -25.305 66.808 30.676 1.00 42.77 ? 1124 HOH A O 1 -HETATM 6408 O O . HOH G 5 . ? -9.533 65.918 54.293 1.00 31.24 ? 1125 HOH A O 1 -HETATM 6409 O O . HOH G 5 . ? 18.046 63.275 10.424 1.00 31.54 ? 1126 HOH A O 1 -HETATM 6410 O O . HOH G 5 . ? -17.019 55.320 14.759 1.00 38.88 ? 1127 HOH A O 1 -HETATM 6411 O O . HOH G 5 . ? 13.934 20.599 25.633 1.00 33.79 ? 1128 HOH A O 1 -HETATM 6412 O O . HOH G 5 . ? 8.338 50.531 3.044 1.00 36.82 ? 1129 HOH A O 1 -HETATM 6413 O O . HOH G 5 . ? 10.527 23.469 41.646 1.00 39.46 ? 1130 HOH A O 1 -HETATM 6414 O O . HOH G 5 . ? -1.989 73.786 40.329 1.00 31.16 ? 1131 HOH A O 1 -HETATM 6415 O O . HOH G 5 . ? 31.091 46.472 30.959 1.00 31.69 ? 1132 HOH A O 1 -HETATM 6416 O O . HOH G 5 . ? -12.197 42.890 -4.797 1.00 36.16 ? 1133 HOH A O 1 -HETATM 6417 O O . HOH G 5 . ? 11.895 63.264 1.827 1.00 40.92 ? 1134 HOH A O 1 -HETATM 6418 O O . HOH G 5 . ? 20.919 51.913 13.620 1.00 38.82 ? 1135 HOH A O 1 -HETATM 6419 O O . HOH G 5 . ? 19.571 36.452 17.796 1.00 30.18 ? 1136 HOH A O 1 -HETATM 6420 O O . HOH G 5 . ? -18.251 68.446 20.573 1.00 24.05 ? 1137 HOH A O 1 -HETATM 6421 O O . HOH G 5 . ? -6.533 64.984 56.199 1.00 29.91 ? 1138 HOH A O 1 -HETATM 6422 O O . HOH G 5 . ? -16.787 66.985 46.576 1.00 37.97 ? 1139 HOH A O 1 -HETATM 6423 O O . HOH G 5 . ? 28.284 49.745 27.808 1.00 30.75 ? 1140 HOH A O 1 -HETATM 6424 O O . HOH G 5 . ? 24.414 27.160 26.371 1.00 37.04 ? 1141 HOH A O 1 -HETATM 6425 O O . HOH G 5 . ? -14.528 70.223 41.224 1.00 40.93 ? 1142 HOH A O 1 -HETATM 6426 O O . HOH G 5 . ? 9.026 18.791 31.094 1.00 32.36 ? 1143 HOH A O 1 -HETATM 6427 O O . HOH G 5 . ? -28.122 37.686 53.562 1.00 31.09 ? 1144 HOH A O 1 -HETATM 6428 O O . HOH G 5 . ? 23.100 49.922 46.669 1.00 55.18 ? 1145 HOH A O 1 -HETATM 6429 O O . HOH G 5 . ? -6.335 64.935 19.703 1.00 38.69 ? 1146 HOH A O 1 -HETATM 6430 O O . HOH G 5 . ? -25.919 63.521 17.900 1.00 30.97 ? 1147 HOH A O 1 -HETATM 6431 O O . HOH G 5 . ? -15.721 41.460 12.386 1.00 28.16 ? 1148 HOH A O 1 -HETATM 6432 O O . HOH G 5 . ? -8.470 50.276 58.410 1.00 27.95 ? 1149 HOH A O 1 -HETATM 6433 O O . HOH G 5 . ? -15.482 51.027 10.501 1.00 38.26 ? 1150 HOH A O 1 -HETATM 6434 O O . HOH G 5 . ? -19.943 25.604 43.870 1.00 35.11 ? 1151 HOH A O 1 -HETATM 6435 O O . HOH G 5 . ? -41.186 44.539 46.986 1.00 39.66 ? 1152 HOH A O 1 -HETATM 6436 O O . HOH G 5 . ? 2.599 26.551 25.700 1.00 33.41 ? 1153 HOH A O 1 -HETATM 6437 O O . HOH G 5 . ? 23.085 22.482 23.458 1.00 36.44 ? 1154 HOH A O 1 -HETATM 6438 O O . HOH G 5 . ? 6.424 21.568 27.108 1.00 36.85 ? 1155 HOH A O 1 -HETATM 6439 O O . HOH G 5 . ? -25.479 32.408 26.112 1.00 55.95 ? 1156 HOH A O 1 -HETATM 6440 O O . HOH G 5 . ? -8.407 74.790 42.246 1.00 35.58 ? 1157 HOH A O 1 -HETATM 6441 O O . HOH G 5 . ? -6.735 37.765 -1.927 1.00 38.86 ? 1158 HOH A O 1 -HETATM 6442 O O . HOH G 5 . ? -11.303 42.779 23.866 1.00 39.45 ? 1159 HOH A O 1 -HETATM 6443 O O . HOH G 5 . ? 14.503 61.911 15.861 1.00 32.98 ? 1160 HOH A O 1 -HETATM 6444 O O . HOH G 5 . ? -12.917 63.191 54.279 1.00 41.34 ? 1161 HOH A O 1 -HETATM 6445 O O . HOH G 5 . ? -7.604 38.157 53.389 1.00 33.67 ? 1162 HOH A O 1 -HETATM 6446 O O . HOH G 5 . ? -6.357 34.063 31.868 1.00 31.40 ? 1163 HOH A O 1 -HETATM 6447 O O . HOH G 5 . ? -32.173 63.525 27.956 1.00 36.18 ? 1164 HOH A O 1 -HETATM 6448 O O . HOH G 5 . ? -1.599 30.756 5.211 1.00 33.10 ? 1165 HOH A O 1 -HETATM 6449 O O . HOH G 5 . ? -11.020 55.248 11.473 1.00 47.07 ? 1166 HOH A O 1 -HETATM 6450 O O . HOH G 5 . ? 16.999 62.097 31.144 1.00 36.01 ? 1167 HOH A O 1 -HETATM 6451 O O . HOH G 5 . ? 28.109 47.540 18.683 1.00 36.66 ? 1168 HOH A O 1 -HETATM 6452 O O . HOH G 5 . ? 22.555 24.613 17.504 1.00 33.18 ? 1169 HOH A O 1 -HETATM 6453 O O . HOH G 5 . ? -36.479 49.364 55.361 1.00 42.54 ? 1170 HOH A O 1 -HETATM 6454 O O . HOH G 5 . ? -12.871 74.863 40.258 1.00 42.99 ? 1171 HOH A O 1 -HETATM 6455 O O . HOH G 5 . ? -31.166 67.734 20.348 1.00 52.52 ? 1172 HOH A O 1 -HETATM 6456 O O . HOH G 5 . ? -17.039 63.434 51.209 1.00 29.97 ? 1173 HOH A O 1 -HETATM 6457 O O . HOH G 5 . ? -36.438 54.045 22.444 1.00 44.05 ? 1174 HOH A O 1 -HETATM 6458 O O . HOH G 5 . ? 8.512 71.589 38.158 1.00 42.02 ? 1175 HOH A O 1 -HETATM 6459 O O . HOH G 5 . ? 16.268 22.498 14.398 1.00 36.44 ? 1176 HOH A O 1 -HETATM 6460 O O . HOH G 5 . ? 10.373 31.424 49.933 1.00 38.24 ? 1177 HOH A O 1 -HETATM 6461 O O . HOH G 5 . ? -37.964 56.879 50.628 1.00 44.32 ? 1178 HOH A O 1 -HETATM 6462 O O . HOH G 5 . ? 6.284 75.486 46.012 1.00 44.78 ? 1179 HOH A O 1 -HETATM 6463 O O . HOH G 5 . ? -39.111 57.096 39.311 1.00 36.13 ? 1180 HOH A O 1 -HETATM 6464 O O . HOH G 5 . ? -14.257 52.259 12.723 1.00 35.32 ? 1181 HOH A O 1 -HETATM 6465 O O . HOH G 5 . ? -26.147 35.104 26.095 1.00 48.57 ? 1182 HOH A O 1 -HETATM 6466 O O . HOH G 5 . ? -19.825 69.936 35.867 1.00 34.56 ? 1183 HOH A O 1 -HETATM 6467 O O . HOH G 5 . ? 24.810 26.026 19.438 1.00 53.68 ? 1184 HOH A O 1 -HETATM 6468 O O . HOH G 5 . ? 13.197 36.595 50.403 1.00 37.45 ? 1185 HOH A O 1 -HETATM 6469 O O . HOH G 5 . ? -35.791 33.665 42.606 1.00 34.06 ? 1186 HOH A O 1 -HETATM 6470 O O . HOH G 5 . ? -31.162 54.527 58.162 1.00 39.53 ? 1187 HOH A O 1 -HETATM 6471 O O . HOH G 5 . ? 20.301 57.161 45.729 1.00 39.54 ? 1188 HOH A O 1 -HETATM 6472 O O . HOH G 5 . ? -10.983 44.005 56.140 1.00 30.19 ? 1189 HOH A O 1 -HETATM 6473 O O . HOH G 5 . ? 7.221 53.342 55.379 1.00 33.90 ? 1190 HOH A O 1 -HETATM 6474 O O . HOH G 5 . ? 3.332 77.862 45.134 1.00 39.91 ? 1191 HOH A O 1 -HETATM 6475 O O . HOH G 5 . ? -1.177 49.142 57.485 1.00 49.39 ? 1192 HOH A O 1 -HETATM 6476 O O . HOH G 5 . ? -0.613 37.074 29.999 1.00 39.76 ? 1193 HOH A O 1 -HETATM 6477 O O . HOH G 5 . ? -24.434 58.907 15.777 1.00 41.69 ? 1194 HOH A O 1 -HETATM 6478 O O . HOH G 5 . ? 29.194 47.757 36.383 1.00 35.45 ? 1195 HOH A O 1 -HETATM 6479 O O . HOH G 5 . ? -11.052 36.446 55.725 1.00 57.96 ? 1196 HOH A O 1 -HETATM 6480 O O . HOH G 5 . ? -10.825 40.798 14.809 1.00 36.86 ? 1197 HOH A O 1 -HETATM 6481 O O . HOH G 5 . ? 19.751 57.186 13.637 1.00 45.17 ? 1198 HOH A O 1 -HETATM 6482 O O . HOH G 5 . ? -2.666 66.348 29.343 1.00 47.89 ? 1199 HOH A O 1 -HETATM 6483 O O . HOH G 5 . ? -31.567 27.775 24.058 1.00 45.64 ? 1200 HOH A O 1 -HETATM 6484 O O . HOH G 5 . ? -41.844 52.883 38.351 1.00 36.54 ? 1201 HOH A O 1 -HETATM 6485 O O . HOH G 5 . ? -10.263 41.580 19.084 1.00 57.95 ? 1202 HOH A O 1 -HETATM 6486 O O . HOH G 5 . ? -5.475 33.093 0.763 1.00 45.34 ? 1203 HOH A O 1 -HETATM 6487 O O . HOH G 5 . ? 7.646 68.121 56.900 1.00 44.21 ? 1204 HOH A O 1 -HETATM 6488 O O . HOH G 5 . ? 3.925 23.921 27.665 1.00 54.63 ? 1205 HOH A O 1 -HETATM 6489 O O . HOH G 5 . ? 25.741 28.944 39.259 1.00 40.21 ? 1206 HOH A O 1 -HETATM 6490 O O . HOH G 5 . ? 18.321 53.968 6.235 1.00 46.26 ? 1207 HOH A O 1 -HETATM 6491 O O . HOH G 5 . ? 9.468 32.315 4.967 1.00 42.02 ? 1208 HOH A O 1 -HETATM 6492 O O . HOH G 5 . ? -0.385 40.132 29.370 1.00 43.02 ? 1209 HOH A O 1 -HETATM 6493 O O . HOH G 5 . ? -36.127 34.903 51.599 1.00 53.98 ? 1210 HOH A O 1 -HETATM 6494 O O . HOH G 5 . ? -20.785 39.047 5.420 1.00 41.77 ? 1211 HOH A O 1 -HETATM 6495 O O . HOH G 5 . ? -19.013 50.761 6.166 1.00 55.60 ? 1212 HOH A O 1 -HETATM 6496 O O . HOH G 5 . ? -14.062 31.368 54.113 1.00 34.88 ? 1213 HOH A O 1 -HETATM 6497 O O . HOH G 5 . ? -2.981 36.285 17.684 1.00 46.30 ? 1214 HOH A O 1 -HETATM 6498 O O . HOH G 5 . ? 24.292 36.054 17.828 1.00 42.76 ? 1215 HOH A O 1 -HETATM 6499 O O . HOH G 5 . ? -38.056 37.737 50.452 1.00 39.50 ? 1216 HOH A O 1 -HETATM 6500 O O . HOH G 5 . ? 9.376 32.432 52.532 1.00 50.89 ? 1217 HOH A O 1 -HETATM 6501 O O . HOH G 5 . ? 9.910 19.311 21.165 1.00 39.99 ? 1218 HOH A O 1 -HETATM 6502 O O . HOH G 5 . ? -4.439 64.619 35.905 1.00 35.54 ? 1219 HOH A O 1 -HETATM 6503 O O . HOH G 5 . ? -3.117 28.305 30.402 1.00 46.98 ? 1220 HOH A O 1 -HETATM 6504 O O . HOH G 5 . ? 33.707 36.786 42.946 1.00 53.87 ? 1221 HOH A O 1 -HETATM 6505 O O . HOH G 5 . ? -40.405 37.795 41.819 1.00 44.78 ? 1222 HOH A O 1 -HETATM 6506 O O . HOH G 5 . ? -40.393 32.793 26.127 1.00 45.68 ? 1223 HOH A O 1 -HETATM 6507 O O . HOH G 5 . ? -38.608 33.034 35.584 1.00 46.27 ? 1224 HOH A O 1 -HETATM 6508 O O . HOH G 5 . ? -26.090 66.703 33.756 1.00 45.13 ? 1225 HOH A O 1 -HETATM 6509 O O . HOH G 5 . ? 2.612 72.279 40.617 1.00 36.97 ? 1226 HOH A O 1 -HETATM 6510 O O . HOH G 5 . ? -29.167 41.073 63.582 1.00 50.13 ? 1227 HOH A O 1 -HETATM 6511 O O . HOH G 5 . ? -17.753 69.992 37.779 1.00 46.38 ? 1228 HOH A O 1 -HETATM 6512 O O . HOH G 5 . ? -0.855 77.837 41.908 1.00 57.92 ? 1229 HOH A O 1 -HETATM 6513 O O . HOH G 5 . ? -28.211 67.939 29.660 1.00 53.44 ? 1230 HOH A O 1 -HETATM 6514 O O . HOH G 5 . ? 7.948 69.636 34.290 1.00 41.74 ? 1231 HOH A O 1 -HETATM 6515 O O . HOH G 5 . ? 11.589 38.213 5.494 1.00 40.72 ? 1232 HOH A O 1 -HETATM 6516 O O . HOH G 5 . ? 6.943 67.651 26.096 1.00 48.38 ? 1233 HOH A O 1 -HETATM 6517 O O . HOH G 5 . ? -9.639 61.345 57.034 1.00 52.08 ? 1234 HOH A O 1 -HETATM 6518 O O . HOH G 5 . ? -21.766 26.727 52.361 1.00 56.61 ? 1235 HOH A O 1 -HETATM 6519 O O . HOH G 5 . ? -13.488 41.568 20.210 1.00 43.89 ? 1236 HOH A O 1 -HETATM 6520 O O . HOH G 5 . ? -44.200 40.032 40.755 1.00 61.12 ? 1237 HOH A O 1 -HETATM 6521 O O . HOH G 5 . ? -0.150 28.770 27.203 1.00 54.78 ? 1238 HOH A O 1 -HETATM 6522 O O . HOH G 5 . ? -12.063 25.846 50.538 1.00 46.99 ? 1239 HOH A O 1 -HETATM 6523 O O . HOH G 5 . ? 6.467 36.667 2.202 1.00 50.76 ? 1240 HOH A O 1 -HETATM 6524 O O . HOH G 5 . ? -19.838 37.012 54.830 1.00 45.22 ? 1241 HOH A O 1 -HETATM 6525 O O . HOH G 5 . ? -27.724 57.616 15.599 1.00 39.58 ? 1242 HOH A O 1 -HETATM 6526 O O . HOH G 5 . ? 16.336 18.007 19.784 1.00 56.38 ? 1243 HOH A O 1 -HETATM 6527 O O . HOH G 5 . ? 21.870 56.914 17.858 1.00 67.12 ? 1244 HOH A O 1 -HETATM 6528 O O . HOH G 5 . ? -12.994 53.293 24.217 1.00 11.01 ? 1245 HOH A O 1 -HETATM 6529 O O . HOH G 5 . ? -3.482 40.509 44.719 1.00 21.27 ? 1246 HOH A O 1 -HETATM 6530 O O . HOH G 5 . ? -16.650 46.261 45.911 1.00 21.61 ? 1247 HOH A O 1 -HETATM 6531 O O . HOH G 5 . ? 6.020 60.617 0.779 1.00 30.73 ? 1248 HOH A O 1 -HETATM 6532 O O . HOH G 5 . ? -2.233 41.008 18.841 1.00 31.03 ? 1249 HOH A O 1 -HETATM 6533 O O . HOH G 5 . ? -31.277 60.263 22.954 1.00 31.93 ? 1250 HOH A O 1 -HETATM 6534 O O . HOH G 5 . ? 9.783 44.479 3.725 1.00 38.73 ? 1251 HOH A O 1 -HETATM 6535 O O . HOH G 5 . ? 22.324 25.046 26.559 1.00 40.52 ? 1252 HOH A O 1 -HETATM 6536 O O . HOH G 5 . ? -28.732 40.537 21.401 1.00 33.96 ? 1253 HOH A O 1 -HETATM 6537 O O . HOH G 5 . ? -15.218 67.695 44.272 1.00 40.24 ? 1254 HOH A O 1 -HETATM 6538 O O . HOH G 5 . ? 21.962 52.886 37.862 1.00 42.61 ? 1255 HOH A O 1 -HETATM 6539 O O . HOH G 5 . ? 20.099 61.081 45.518 1.00 37.49 ? 1256 HOH A O 1 -HETATM 6540 O O . HOH G 5 . ? 11.278 64.870 29.783 1.00 30.87 ? 1257 HOH A O 1 -HETATM 6541 O O . HOH G 5 . ? 25.197 53.536 37.062 1.00 35.23 ? 1258 HOH A O 1 -HETATM 6542 O O . HOH G 5 . ? -21.414 39.134 23.361 1.00 36.48 ? 1259 HOH A O 1 -HETATM 6543 O O . HOH G 5 . ? -7.202 34.168 50.090 1.00 35.17 ? 1260 HOH A O 1 -HETATM 6544 O O . HOH G 5 . ? -23.323 58.213 20.264 1.00 28.08 ? 1261 HOH A O 1 -HETATM 6545 O O . HOH G 5 . ? -0.552 34.402 30.310 1.00 39.54 ? 1262 HOH A O 1 -HETATM 6546 O O . HOH G 5 . ? -5.435 37.373 -4.621 1.00 37.19 ? 1263 HOH A O 1 -HETATM 6547 O O . HOH G 5 . ? 25.613 56.472 22.038 1.00 37.04 ? 1264 HOH A O 1 -HETATM 6548 O O . HOH G 5 . ? 12.096 41.097 6.649 1.00 38.22 ? 1265 HOH A O 1 -HETATM 6549 O O . HOH G 5 . ? -26.572 43.721 15.173 1.00 39.51 ? 1266 HOH A O 1 -HETATM 6550 O O . HOH G 5 . ? 19.820 59.638 19.004 1.00 33.30 ? 1267 HOH A O 1 -HETATM 6551 O O . HOH G 5 . ? -35.497 27.161 28.454 1.00 46.37 ? 1268 HOH A O 1 -HETATM 6552 O O . HOH G 5 . ? 14.874 42.324 13.587 1.00 43.39 ? 1269 HOH A O 1 -HETATM 6553 O O . HOH G 5 . ? 4.144 56.917 2.542 1.00 41.48 ? 1270 HOH A O 1 -HETATM 6554 O O . HOH G 5 . ? -4.635 26.414 39.024 1.00 42.54 ? 1271 HOH A O 1 -HETATM 6555 O O . HOH G 5 . ? 4.936 46.062 55.123 1.00 36.10 ? 1272 HOH A O 1 -HETATM 6556 O O . HOH G 5 . ? 22.166 49.962 53.191 1.00 43.93 ? 1273 HOH A O 1 -HETATM 6557 O O . HOH G 5 . ? 5.549 42.789 -0.046 1.00 42.96 ? 1274 HOH A O 1 -HETATM 6558 O O . HOH G 5 . ? -41.865 47.286 47.229 1.00 35.26 ? 1275 HOH A O 1 -HETATM 6559 O O . HOH G 5 . ? -26.070 30.886 23.550 1.00 46.72 ? 1276 HOH A O 1 -HETATM 6560 O O . HOH G 5 . ? 11.022 52.611 55.794 1.00 43.22 ? 1277 HOH A O 1 -HETATM 6561 O O . HOH G 5 . ? -4.997 36.219 -1.217 1.00 42.35 ? 1278 HOH A O 1 -HETATM 6562 O O . HOH G 5 . ? 4.720 51.926 0.688 1.00 52.95 ? 1279 HOH A O 1 -HETATM 6563 O O . HOH G 5 . ? -6.356 27.052 40.592 1.00 41.43 ? 1280 HOH A O 1 -HETATM 6564 O O . HOH G 5 . ? -25.089 48.767 10.573 1.00 34.90 ? 1281 HOH A O 1 -HETATM 6565 O O . HOH G 5 . ? -5.159 28.940 39.579 1.00 40.65 ? 1282 HOH A O 1 -HETATM 6566 O O . HOH G 5 . ? -6.077 44.758 -5.585 1.00 44.16 ? 1283 HOH A O 1 -HETATM 6567 O O . HOH G 5 . ? -1.070 38.523 26.425 1.00 41.99 ? 1284 HOH A O 1 -HETATM 6568 O O . HOH G 5 . ? -0.498 76.761 46.579 1.00 39.36 ? 1285 HOH A O 1 -HETATM 6569 O O . HOH G 5 . ? 26.884 40.502 17.948 1.00 50.51 ? 1286 HOH A O 1 -HETATM 6570 O O . HOH G 5 . ? 9.712 64.319 54.867 1.00 40.01 ? 1287 HOH A O 1 -HETATM 6571 O O . HOH G 5 . ? 16.127 42.273 48.023 1.00 40.42 ? 1288 HOH A O 1 -HETATM 6572 O O . HOH G 5 . ? 2.165 64.056 20.121 1.00 41.17 ? 1289 HOH A O 1 -HETATM 6573 O O . HOH G 5 . ? 12.389 59.463 54.706 1.00 38.20 ? 1290 HOH A O 1 -HETATM 6574 O O . HOH G 5 . ? -37.933 36.217 40.313 1.00 42.48 ? 1291 HOH A O 1 -HETATM 6575 O O . HOH G 5 . ? -41.199 57.994 44.627 1.00 41.82 ? 1292 HOH A O 1 -HETATM 6576 O O . HOH G 5 . ? 17.434 26.214 12.509 1.00 48.02 ? 1293 HOH A O 1 -HETATM 6577 O O . HOH G 5 . ? -21.114 54.783 13.962 1.00 49.64 ? 1294 HOH A O 1 -HETATM 6578 O O . HOH G 5 . ? -1.147 31.780 27.933 1.00 42.56 ? 1295 HOH A O 1 -HETATM 6579 O O . HOH G 5 . ? 20.859 47.880 12.442 1.00 38.93 ? 1296 HOH A O 1 -HETATM 6580 O O . HOH G 5 . ? -29.747 64.219 40.760 1.00 46.49 ? 1297 HOH A O 1 -HETATM 6581 O O . HOH G 5 . ? -0.717 36.146 -3.098 1.00 47.00 ? 1298 HOH A O 1 -HETATM 6582 O O . HOH G 5 . ? 11.586 28.942 49.327 1.00 47.70 ? 1299 HOH A O 1 -HETATM 6583 O O . HOH G 5 . ? -14.444 42.669 56.287 1.00 39.96 ? 1300 HOH A O 1 -HETATM 6584 O O . HOH G 5 . ? 16.526 61.429 51.394 1.00 45.14 ? 1301 HOH A O 1 -HETATM 6585 O O . HOH G 5 . ? -17.274 70.842 34.681 1.00 45.38 ? 1302 HOH A O 1 -HETATM 6586 O O . HOH G 5 . ? 0.103 31.328 2.742 1.00 50.30 ? 1303 HOH A O 1 -HETATM 6587 O O . HOH G 5 . ? -23.552 65.402 45.440 1.00 43.64 ? 1304 HOH A O 1 -HETATM 6588 O O . HOH G 5 . ? -36.951 51.724 22.695 1.00 41.42 ? 1305 HOH A O 1 -HETATM 6589 O O . HOH G 5 . ? -32.528 32.829 18.439 1.00 41.31 ? 1306 HOH A O 1 -HETATM 6590 O O . HOH G 5 . ? -27.760 66.317 17.001 1.00 41.32 ? 1307 HOH A O 1 -HETATM 6591 O O . HOH G 5 . ? -3.045 64.060 10.316 1.00 42.09 ? 1308 HOH A O 1 -HETATM 6592 O O . HOH G 5 . ? -32.503 52.834 17.395 1.00 49.62 ? 1309 HOH A O 1 -HETATM 6593 O O . HOH G 5 . ? -18.953 52.679 12.424 1.00 44.04 ? 1310 HOH A O 1 -HETATM 6594 O O . HOH G 5 . ? 15.984 34.610 13.635 1.00 47.62 ? 1311 HOH A O 1 -HETATM 6595 O O . HOH G 5 . ? -39.983 42.362 28.441 1.00 47.88 ? 1312 HOH A O 1 -HETATM 6596 O O . HOH G 5 . ? -36.452 54.860 54.675 1.00 46.92 ? 1313 HOH A O 1 -HETATM 6597 O O . HOH G 5 . ? -2.795 65.075 18.460 1.00 42.00 ? 1314 HOH A O 1 -HETATM 6598 O O . HOH G 5 . ? -31.916 66.590 18.203 1.00 49.90 ? 1315 HOH A O 1 -HETATM 6599 O O . HOH G 5 . ? 15.004 27.087 12.171 1.00 48.85 ? 1316 HOH A O 1 -HETATM 6600 O O . HOH G 5 . ? 28.293 52.990 23.803 1.00 39.27 ? 1317 HOH A O 1 -HETATM 6601 O O . HOH G 5 . ? -28.007 64.781 54.032 1.00 40.82 ? 1318 HOH A O 1 -HETATM 6602 O O . HOH G 5 . ? -8.590 69.900 56.673 1.00 43.16 ? 1319 HOH A O 1 -HETATM 6603 O O . HOH G 5 . ? -31.312 50.682 15.889 1.00 51.50 ? 1320 HOH A O 1 -HETATM 6604 O O . HOH G 5 . ? -25.809 58.024 58.747 1.00 50.00 ? 1321 HOH A O 1 -HETATM 6605 O O . HOH G 5 . ? 7.587 44.986 53.476 1.00 40.41 ? 1322 HOH A O 1 -# -loop_ -_pdbx_poly_seq_scheme.asym_id -_pdbx_poly_seq_scheme.entity_id -_pdbx_poly_seq_scheme.seq_id -_pdbx_poly_seq_scheme.mon_id -_pdbx_poly_seq_scheme.ndb_seq_num -_pdbx_poly_seq_scheme.pdb_seq_num -_pdbx_poly_seq_scheme.auth_seq_num -_pdbx_poly_seq_scheme.pdb_mon_id -_pdbx_poly_seq_scheme.auth_mon_id -_pdbx_poly_seq_scheme.pdb_strand_id -_pdbx_poly_seq_scheme.pdb_ins_code -_pdbx_poly_seq_scheme.hetero -A 1 1 MET 1 -41 ? ? ? A . n -A 1 2 THR 2 -40 ? ? ? A . n -A 1 3 LYS 3 -39 ? ? ? A . n -A 1 4 PHE 4 -38 ? ? ? A . n -A 1 5 SER 5 -37 ? ? ? A . n -A 1 6 GLY 6 -36 ? ? ? A . n -A 1 7 ASN 7 -35 ? ? ? A . n -A 1 8 GLU 8 -34 ? ? ? A . n -A 1 9 LEU 9 -33 ? ? ? A . n -A 1 10 ARG 10 -32 ? ? ? A . n -A 1 11 ALA 11 -31 ? ? ? A . n -A 1 12 GLU 12 -30 ? ? ? A . n -A 1 13 LEU 13 -29 ? ? ? A . n -A 1 14 TYR 14 -28 ? ? ? A . n -A 1 15 ARG 15 -27 ? ? ? A . n -A 1 16 ARG 16 -26 ? ? ? A . n -A 1 17 ALA 17 -25 ? ? ? A . n -A 1 18 PHE 18 -24 ? ? ? A . n -A 1 19 LEU 19 -23 ? ? ? A . n -A 1 20 SER 20 -22 ? ? ? A . n -A 1 21 TYR 21 -21 ? ? ? A . n -A 1 22 SER 22 -20 ? ? ? A . n -A 1 23 VAL 23 -19 ? ? ? A . n -A 1 24 ALA 24 -18 ? ? ? A . n -A 1 25 PRO 25 -17 ? ? ? A . n -A 1 26 GLY 26 -16 ? ? ? A . n -A 1 27 ALA 27 -15 ? ? ? A . n -A 1 28 LEU 28 -14 ? ? ? A . n -A 1 29 GLY 29 -13 ? ? ? A . n -A 1 30 MET 30 -12 ? ? ? A . n -A 1 31 PHE 31 -11 ? ? ? A . n -A 1 32 GLY 32 -10 ? ? ? A . n -A 1 33 ARG 33 -9 ? ? ? A . n -A 1 34 SER 34 -8 ? ? ? A . n -A 1 35 LEU 35 -7 ? ? ? A . n -A 1 36 LEU 36 -6 ? ? ? A . n -A 1 37 ALA 37 -5 ? ? ? A . n -A 1 38 LYS 38 -4 ? ? ? A . n -A 1 39 GLY 39 -3 ? ? ? A . n -A 1 40 ALA 40 -2 ? ? ? A . n -A 1 41 ARG 41 -1 ? ? ? A . n -A 1 42 ALA 42 0 ? ? ? A . n -A 1 43 GLU 43 1 ? ? ? A . n -A 1 44 ALA 44 2 ? ? ? A . n -A 1 45 LEU 45 3 3 LEU LEU A . n -A 1 46 ALA 46 4 4 ALA ALA A . n -A 1 47 ASN 47 5 5 ASN ASN A . n -A 1 48 GLY 48 6 6 GLY GLY A . n -A 1 49 THR 49 7 7 THR THR A . n -A 1 50 VAL 50 8 8 VAL VAL A . n -A 1 51 MET 51 9 9 MET MET A . n -A 1 52 SER 52 10 10 SER SER A . n -A 1 53 GLY 53 11 11 GLY GLY A . n -A 1 54 SER 54 12 12 SER SER A . n -A 1 55 HIS 55 13 13 HIS HIS A . n -A 1 56 TRP 56 14 14 TRP TRP A . n -A 1 57 GLY 57 15 15 GLY GLY A . n -A 1 58 VAL 58 16 16 VAL VAL A . n -A 1 59 PHE 59 17 17 PHE PHE A . n -A 1 60 THR 60 18 18 THR THR A . n -A 1 61 ALA 61 19 19 ALA ALA A . n -A 1 62 THR 62 20 20 THR THR A . n -A 1 63 VAL 63 21 21 VAL VAL A . n -A 1 64 GLU 64 22 22 GLU GLU A . n -A 1 65 ASN 65 23 23 ASN ASN A . n -A 1 66 GLY 66 24 24 GLY GLY A . n -A 1 67 ARG 67 25 25 ARG ARG A . n -A 1 68 ALA 68 26 26 ALA ALA A . n -A 1 69 THR 69 27 27 THR THR A . n -A 1 70 ALA 70 28 28 ALA ALA A . n -A 1 71 PHE 71 29 29 PHE PHE A . n -A 1 72 THR 72 30 30 THR THR A . n -A 1 73 PRO 73 31 31 PRO PRO A . n -A 1 74 TRP 74 32 32 TRP TRP A . n -A 1 75 GLU 75 33 33 GLU GLU A . n -A 1 76 LYS 76 34 34 LYS LYS A . n -A 1 77 ASP 77 35 35 ASP ASP A . n -A 1 78 PRO 78 36 36 PRO PRO A . n -A 1 79 HIS 79 37 37 HIS HIS A . n -A 1 80 PRO 80 38 38 PRO PRO A . n -A 1 81 SER 81 39 39 SER SER A . n -A 1 82 PRO 82 40 40 PRO PRO A . n -A 1 83 MET 83 41 41 MET MET A . n -A 1 84 LEU 84 42 42 LEU LEU A . n -A 1 85 ALA 85 43 43 ALA ALA A . n -A 1 86 GLY 86 44 44 GLY GLY A . n -A 1 87 VAL 87 45 45 VAL VAL A . n -A 1 88 LEU 88 46 46 LEU LEU A . n -A 1 89 ASP 89 47 47 ASP ASP A . n -A 1 90 SER 90 48 48 SER SER A . n -A 1 91 ILE 91 49 49 ILE ILE A . n -A 1 92 TYR 92 50 50 TYR TYR A . n -A 1 93 SER 93 51 51 SER SER A . n -A 1 94 PRO 94 52 52 PRO PRO A . n -A 1 95 THR 95 53 53 THR THR A . n -A 1 96 ARG 96 54 54 ARG ARG A . n -A 1 97 ILE 97 55 55 ILE ILE A . n -A 1 98 LYS 98 56 56 LYS LYS A . n -A 1 99 TYR 99 57 57 TYR TYR A . n -A 1 100 PRO 100 58 58 PRO PRO A . n -A 1 101 MET 101 59 59 MET MET A . n -A 1 102 VAL 102 60 60 VAL VAL A . n -A 1 103 ARG 103 61 61 ARG ARG A . n -A 1 104 ARG 104 62 62 ARG ARG A . n -A 1 105 GLU 105 63 63 GLU GLU A . n -A 1 106 PHE 106 64 64 PHE PHE A . n -A 1 107 LEU 107 65 65 LEU LEU A . n -A 1 108 GLU 108 66 66 GLU GLU A . n -A 1 109 LYS 109 67 67 LYS LYS A . n -A 1 110 GLY 110 68 68 GLY GLY A . n -A 1 111 VAL 111 69 69 VAL VAL A . n -A 1 112 ASN 112 70 70 ASN ASN A . n -A 1 113 ALA 113 71 71 ALA ALA A . n -A 1 114 ASP 114 72 72 ASP ASP A . n -A 1 115 ARG 115 73 73 ARG ARG A . n -A 1 116 SER 116 74 74 SER SER A . n -A 1 117 THR 117 75 75 THR THR A . n -A 1 118 ARG 118 76 76 ARG ARG A . n -A 1 119 GLY 119 77 77 GLY GLY A . n -A 1 120 ASN 120 78 78 ASN ASN A . n -A 1 121 GLY 121 79 79 GLY GLY A . n -A 1 122 ASP 122 80 80 ASP ASP A . n -A 1 123 PHE 123 81 81 PHE PHE A . n -A 1 124 VAL 124 82 82 VAL VAL A . n -A 1 125 ARG 125 83 83 ARG ARG A . n -A 1 126 VAL 126 84 84 VAL VAL A . n -A 1 127 SER 127 85 85 SER SER A . n -A 1 128 TRP 128 86 86 TRP TRP A . n -A 1 129 ASP 129 87 87 ASP ASP A . n -A 1 130 GLN 130 88 88 GLN GLN A . n -A 1 131 ALA 131 89 89 ALA ALA A . n -A 1 132 LEU 132 90 90 LEU LEU A . n -A 1 133 ASP 133 91 91 ASP ASP A . n -A 1 134 LEU 134 92 92 LEU LEU A . n -A 1 135 VAL 135 93 93 VAL VAL A . n -A 1 136 ALA 136 94 94 ALA ALA A . n -A 1 137 ALA 137 95 95 ALA ALA A . n -A 1 138 GLU 138 96 96 GLU GLU A . n -A 1 139 VAL 139 97 97 VAL VAL A . n -A 1 140 LYS 140 98 98 LYS LYS A . n -A 1 141 ARG 141 99 99 ARG ARG A . n -A 1 142 VAL 142 100 100 VAL VAL A . n -A 1 143 GLU 143 101 101 GLU GLU A . n -A 1 144 GLU 144 102 102 GLU GLU A . n -A 1 145 THR 145 103 103 THR THR A . n -A 1 146 TYR 146 104 104 TYR TYR A . n -A 1 147 GLY 147 105 105 GLY GLY A . n -A 1 148 PRO 148 106 106 PRO PRO A . n -A 1 149 GLU 149 107 107 GLU GLU A . n -A 1 150 GLY 150 108 108 GLY GLY A . n -A 1 151 VAL 151 109 109 VAL VAL A . n -A 1 152 PHE 152 110 110 PHE PHE A . n -A 1 153 GLY 153 111 111 GLY GLY A . n -A 1 154 GLY 154 112 112 GLY GLY A . n -A 1 155 SER 155 113 113 SER SER A . n -A 1 156 TYR 156 114 114 TYR TYR A . n -A 1 157 GLY 157 115 115 GLY GLY A . n -A 1 158 TRP 158 116 116 TRP TRP A . n -A 1 159 LYS 159 117 117 LYS LYS A . n -A 1 160 SER 160 118 118 SER SER A . n -A 1 161 PRO 161 119 119 PRO PRO A . n -A 1 162 GLY 162 120 120 GLY GLY A . n -A 1 163 ARG 163 121 121 ARG ARG A . n -A 1 164 LEU 164 122 122 LEU LEU A . n -A 1 165 HIS 165 123 123 HIS HIS A . n -A 1 166 ASN 166 124 124 ASN ASN A . n -A 1 167 CYS 167 125 125 CYS CYS A . n -A 1 168 THR 168 126 126 THR THR A . n -A 1 169 THR 169 127 127 THR THR A . n -A 1 170 LEU 170 128 128 LEU LEU A . n -A 1 171 LEU 171 129 129 LEU LEU A . n -A 1 172 ARG 172 130 130 ARG ARG A . n -A 1 173 ARG 173 131 131 ARG ARG A . n -A 1 174 MET 174 132 132 MET MET A . n -A 1 175 LEU 175 133 133 LEU LEU A . n -A 1 176 THR 176 134 134 THR THR A . n -A 1 177 LEU 177 135 135 LEU LEU A . n -A 1 178 ALA 178 136 136 ALA ALA A . n -A 1 179 GLY 179 137 137 GLY GLY A . n -A 1 180 GLY 180 138 138 GLY GLY A . n -A 1 181 TYR 181 139 139 TYR TYR A . n -A 1 182 VAL 182 140 140 VAL VAL A . n -A 1 183 ASN 183 141 141 ASN ASN A . n -A 1 184 GLY 184 142 142 GLY GLY A . n -A 1 185 ALA 185 143 143 ALA ALA A . n -A 1 186 GLY 186 144 144 GLY GLY A . n -A 1 187 ASP 187 145 145 ASP ASP A . n -A 1 188 TYR 188 146 146 TYR TYR A . n -A 1 189 SER 189 147 147 SER SER A . n -A 1 190 THR 190 148 148 THR THR A . n -A 1 191 GLY 191 149 149 GLY GLY A . n -A 1 192 ALA 192 150 150 ALA ALA A . n -A 1 193 ALA 193 151 151 ALA ALA A . n -A 1 194 GLN 194 152 152 GLN GLN A . n -A 1 195 VAL 195 153 153 VAL VAL A . n -A 1 196 ILE 196 154 154 ILE ILE A . n -A 1 197 MET 197 155 155 MET MET A . n -A 1 198 PRO 198 156 156 PRO PRO A . n -A 1 199 HIS 199 157 157 HIS HIS A . n -A 1 200 VAL 200 158 158 VAL VAL A . n -A 1 201 VAL 201 159 159 VAL VAL A . n -A 1 202 GLY 202 160 160 GLY GLY A . n -A 1 203 THR 203 161 161 THR THR A . n -A 1 204 LEU 204 162 162 LEU LEU A . n -A 1 205 GLU 205 163 163 GLU GLU A . n -A 1 206 VAL 206 164 164 VAL VAL A . n -A 1 207 TYR 207 165 165 TYR TYR A . n -A 1 208 GLU 208 166 166 GLU GLU A . n -A 1 209 GLN 209 167 167 GLN GLN A . n -A 1 210 GLN 210 168 168 GLN GLN A . n -A 1 211 THR 211 169 169 THR THR A . n -A 1 212 ALA 212 170 170 ALA ALA A . n -A 1 213 TRP 213 171 171 TRP TRP A . n -A 1 214 PRO 214 172 172 PRO PRO A . n -A 1 215 VAL 215 173 173 VAL VAL A . n -A 1 216 LEU 216 174 174 LEU LEU A . n -A 1 217 ALA 217 175 175 ALA ALA A . n -A 1 218 GLU 218 176 176 GLU GLU A . n -A 1 219 ASN 219 177 177 ASN ASN A . n -A 1 220 THR 220 178 178 THR THR A . n -A 1 221 GLU 221 179 179 GLU GLU A . n -A 1 222 VAL 222 180 180 VAL VAL A . n -A 1 223 MET 223 181 181 MET MET A . n -A 1 224 VAL 224 182 182 VAL VAL A . n -A 1 225 PHE 225 183 183 PHE PHE A . n -A 1 226 TRP 226 184 184 TRP TRP A . n -A 1 227 ALA 227 185 185 ALA ALA A . n -A 1 228 ALA 228 186 186 ALA ALA A . n -A 1 229 ASP 229 187 187 ASP ASP A . n -A 1 230 PRO 230 188 188 PRO PRO A . n -A 1 231 ILE 231 189 189 ILE ILE A . n -A 1 232 LYS 232 190 190 LYS LYS A . n -A 1 233 THR 233 191 191 THR THR A . n -A 1 234 SER 234 192 192 SER SER A . n -A 1 235 GLN 235 193 193 GLN GLN A . n -A 1 236 ILE 236 194 194 ILE ILE A . n -A 1 237 GLY 237 195 195 GLY GLY A . n -A 1 238 TRP 238 196 196 TRP TRP A . n -A 1 239 VAL 239 197 197 VAL VAL A . n -A 1 240 ILE 240 198 198 ILE ILE A . n -A 1 241 PRO 241 199 199 PRO PRO A . n -A 1 242 GLU 242 200 200 GLU GLU A . n -A 1 243 HIS 243 201 201 HIS HIS A . n -A 1 244 GLY 244 202 202 GLY GLY A . n -A 1 245 ALA 245 203 203 ALA ALA A . n -A 1 246 TYR 246 204 204 TYR TYR A . n -A 1 247 PRO 247 205 205 PRO PRO A . n -A 1 248 GLY 248 206 206 GLY GLY A . n -A 1 249 LEU 249 207 207 LEU LEU A . n -A 1 250 GLU 250 208 208 GLU GLU A . n -A 1 251 ALA 251 209 209 ALA ALA A . n -A 1 252 LEU 252 210 210 LEU LEU A . n -A 1 253 LYS 253 211 211 LYS LYS A . n -A 1 254 ALA 254 212 212 ALA ALA A . n -A 1 255 LYS 255 213 213 LYS LYS A . n -A 1 256 GLY 256 214 214 GLY GLY A . n -A 1 257 THR 257 215 215 THR THR A . n -A 1 258 LYS 258 216 216 LYS LYS A . n -A 1 259 VAL 259 217 217 VAL VAL A . n -A 1 260 ILE 260 218 218 ILE ILE A . n -A 1 261 VAL 261 219 219 VAL VAL A . n -A 1 262 ILE 262 220 220 ILE ILE A . n -A 1 263 ASP 263 221 221 ASP ASP A . n -A 1 264 PRO 264 222 222 PRO PRO A . n -A 1 265 VAL 265 223 223 VAL VAL A . n -A 1 266 ARG 266 224 224 ARG ARG A . n -A 1 267 THR 267 225 225 THR THR A . n -A 1 268 LYS 268 226 226 LYS LYS A . n -A 1 269 THR 269 227 227 THR THR A . n -A 1 270 VAL 270 228 228 VAL VAL A . n -A 1 271 GLU 271 229 229 GLU GLU A . n -A 1 272 PHE 272 230 230 PHE PHE A . n -A 1 273 PHE 273 231 231 PHE PHE A . n -A 1 274 GLY 274 232 232 GLY GLY A . n -A 1 275 ALA 275 233 233 ALA ALA A . n -A 1 276 GLU 276 234 234 GLU GLU A . n -A 1 277 HIS 277 235 235 HIS HIS A . n -A 1 278 ILE 278 236 236 ILE ILE A . n -A 1 279 THR 279 237 237 THR THR A . n -A 1 280 PRO 280 238 238 PRO PRO A . n -A 1 281 LYS 281 239 239 LYS LYS A . n -A 1 282 PRO 282 240 240 PRO PRO A . n -A 1 283 GLN 283 241 241 GLN GLN A . n -A 1 284 THR 284 242 242 THR THR A . n -A 1 285 ASP 285 243 243 ASP ASP A . n -A 1 286 VAL 286 244 244 VAL VAL A . n -A 1 287 ALA 287 245 245 ALA ALA A . n -A 1 288 ILE 288 246 246 ILE ILE A . n -A 1 289 MET 289 247 247 MET MET A . n -A 1 290 LEU 290 248 248 LEU LEU A . n -A 1 291 GLY 291 249 249 GLY GLY A . n -A 1 292 MET 292 250 250 MET MET A . n -A 1 293 ALA 293 251 251 ALA ALA A . n -A 1 294 HIS 294 252 252 HIS HIS A . n -A 1 295 THR 295 253 253 THR THR A . n -A 1 296 LEU 296 254 254 LEU LEU A . n -A 1 297 VAL 297 255 255 VAL VAL A . n -A 1 298 ALA 298 256 256 ALA ALA A . n -A 1 299 GLU 299 257 257 GLU GLU A . n -A 1 300 ASP 300 258 258 ASP ASP A . n -A 1 301 LEU 301 259 259 LEU LEU A . n -A 1 302 TYR 302 260 260 TYR TYR A . n -A 1 303 ASP 303 261 261 ASP ASP A . n -A 1 304 LYS 304 262 262 LYS LYS A . n -A 1 305 ASP 305 263 263 ASP ASP A . n -A 1 306 PHE 306 264 264 PHE PHE A . n -A 1 307 ILE 307 265 265 ILE ILE A . n -A 1 308 ALA 308 266 266 ALA ALA A . n -A 1 309 ASN 309 267 267 ASN ASN A . n -A 1 310 TYR 310 268 268 TYR TYR A . n -A 1 311 THR 311 269 269 THR THR A . n -A 1 312 SER 312 270 270 SER SER A . n -A 1 313 GLY 313 271 271 GLY GLY A . n -A 1 314 PHE 314 272 272 PHE PHE A . n -A 1 315 ASP 315 273 273 ASP ASP A . n -A 1 316 LYS 316 274 274 LYS LYS A . n -A 1 317 PHE 317 275 275 PHE PHE A . n -A 1 318 LEU 318 276 276 LEU LEU A . n -A 1 319 PRO 319 277 277 PRO PRO A . n -A 1 320 TYR 320 278 278 TYR TYR A . n -A 1 321 LEU 321 279 279 LEU LEU A . n -A 1 322 ASP 322 280 280 ASP ASP A . n -A 1 323 GLY 323 281 281 GLY GLY A . n -A 1 324 GLU 324 282 282 GLU GLU A . n -A 1 325 THR 325 283 283 THR THR A . n -A 1 326 ASP 326 284 284 ASP ASP A . n -A 1 327 SER 327 285 285 SER SER A . n -A 1 328 THR 328 286 286 THR THR A . n -A 1 329 PRO 329 287 287 PRO PRO A . n -A 1 330 LYS 330 288 288 LYS LYS A . n -A 1 331 THR 331 289 289 THR THR A . n -A 1 332 ALA 332 290 290 ALA ALA A . n -A 1 333 GLU 333 291 291 GLU GLU A . n -A 1 334 TRP 334 292 292 TRP TRP A . n -A 1 335 ALA 335 293 293 ALA ALA A . n -A 1 336 GLU 336 294 294 GLU GLU A . n -A 1 337 GLY 337 295 295 GLY GLY A . n -A 1 338 ILE 338 296 296 ILE ILE A . n -A 1 339 SER 339 297 297 SER SER A . n -A 1 340 GLY 340 298 298 GLY GLY A . n -A 1 341 VAL 341 299 299 VAL VAL A . n -A 1 342 PRO 342 300 300 PRO PRO A . n -A 1 343 ALA 343 301 301 ALA ALA A . n -A 1 344 GLU 344 302 302 GLU GLU A . n -A 1 345 THR 345 303 303 THR THR A . n -A 1 346 ILE 346 304 304 ILE ILE A . n -A 1 347 LYS 347 305 305 LYS LYS A . n -A 1 348 GLU 348 306 306 GLU GLU A . n -A 1 349 LEU 349 307 307 LEU LEU A . n -A 1 350 ALA 350 308 308 ALA ALA A . n -A 1 351 ARG 351 309 309 ARG ARG A . n -A 1 352 LEU 352 310 310 LEU LEU A . n -A 1 353 PHE 353 311 311 PHE PHE A . n -A 1 354 GLU 354 312 312 GLU GLU A . n -A 1 355 SER 355 313 313 SER SER A . n -A 1 356 LYS 356 314 314 LYS LYS A . n -A 1 357 ARG 357 315 315 ARG ARG A . n -A 1 358 THR 358 316 316 THR THR A . n -A 1 359 MET 359 317 317 MET MET A . n -A 1 360 LEU 360 318 318 LEU LEU A . n -A 1 361 ALA 361 319 319 ALA ALA A . n -A 1 362 ALA 362 320 320 ALA ALA A . n -A 1 363 GLY 363 321 321 GLY GLY A . n -A 1 364 TRP 364 322 322 TRP TRP A . n -A 1 365 SER 365 323 323 SER SER A . n -A 1 366 MET 366 324 324 MET MET A . n -A 1 367 GLN 367 325 325 GLN GLN A . n -A 1 368 ARG 368 326 326 ARG ARG A . n -A 1 369 MET 369 327 327 MET MET A . n -A 1 370 HIS 370 328 328 HIS HIS A . n -A 1 371 HIS 371 329 329 HIS HIS A . n -A 1 372 GLY 372 330 330 GLY GLY A . n -A 1 373 GLU 373 331 331 GLU GLU A . n -A 1 374 GLN 374 332 332 GLN GLN A . n -A 1 375 ALA 375 333 333 ALA ALA A . n -A 1 376 HIS 376 334 334 HIS HIS A . n -A 1 377 TRP 377 335 335 TRP TRP A . n -A 1 378 MET 378 336 336 MET MET A . n -A 1 379 LEU 379 337 337 LEU LEU A . n -A 1 380 VAL 380 338 338 VAL VAL A . n -A 1 381 THR 381 339 339 THR THR A . n -A 1 382 LEU 382 340 340 LEU LEU A . n -A 1 383 ALA 383 341 341 ALA ALA A . n -A 1 384 SER 384 342 342 SER SER A . n -A 1 385 MET 385 343 343 MET MET A . n -A 1 386 LEU 386 344 344 LEU LEU A . n -A 1 387 GLY 387 345 345 GLY GLY A . n -A 1 388 GLN 388 346 346 GLN GLN A . n -A 1 389 ILE 389 347 347 ILE ILE A . n -A 1 390 GLY 390 348 348 GLY GLY A . n -A 1 391 LEU 391 349 349 LEU LEU A . n -A 1 392 PRO 392 350 350 PRO PRO A . n -A 1 393 GLY 393 351 351 GLY GLY A . n -A 1 394 GLY 394 352 352 GLY GLY A . n -A 1 395 GLY 395 353 353 GLY GLY A . n -A 1 396 PHE 396 354 354 PHE PHE A . n -A 1 397 GLY 397 355 355 GLY GLY A . n -A 1 398 LEU 398 356 356 LEU LEU A . n -A 1 399 SER 399 357 357 SER SER A . n -A 1 400 TYR 400 358 358 TYR TYR A . n -A 1 401 HIS 401 359 359 HIS HIS A . n -A 1 402 TYR 402 360 360 TYR TYR A . n -A 1 403 SER 403 361 361 SER SER A . n -A 1 404 GLY 404 362 362 GLY GLY A . n -A 1 405 GLY 405 363 363 GLY GLY A . n -A 1 406 GLY 406 364 364 GLY GLY A . n -A 1 407 THR 407 365 365 THR THR A . n -A 1 408 PRO 408 366 366 PRO PRO A . n -A 1 409 SER 409 367 367 SER SER A . n -A 1 410 THR 410 368 368 THR THR A . n -A 1 411 SER 411 369 369 SER SER A . n -A 1 412 GLY 412 370 370 GLY GLY A . n -A 1 413 PRO 413 371 371 PRO PRO A . n -A 1 414 ALA 414 372 372 ALA ALA A . n -A 1 415 LEU 415 373 373 LEU LEU A . n -A 1 416 ALA 416 374 374 ALA ALA A . n -A 1 417 GLY 417 375 375 GLY GLY A . n -A 1 418 ILE 418 376 376 ILE ILE A . n -A 1 419 THR 419 377 377 THR THR A . n -A 1 420 ASP 420 378 378 ASP ASP A . n -A 1 421 GLY 421 379 379 GLY GLY A . n -A 1 422 GLY 422 380 380 GLY GLY A . n -A 1 423 ALA 423 381 381 ALA ALA A . n -A 1 424 ALA 424 382 382 ALA ALA A . n -A 1 425 THR 425 383 383 THR THR A . n -A 1 426 LYS 426 384 384 LYS LYS A . n -A 1 427 GLY 427 385 385 GLY GLY A . n -A 1 428 PRO 428 386 386 PRO PRO A . n -A 1 429 GLU 429 387 387 GLU GLU A . n -A 1 430 TRP 430 388 388 TRP TRP A . n -A 1 431 LEU 431 389 389 LEU LEU A . n -A 1 432 ALA 432 390 390 ALA ALA A . n -A 1 433 ALA 433 391 391 ALA ALA A . n -A 1 434 SER 434 392 392 SER SER A . n -A 1 435 GLY 435 393 393 GLY GLY A . n -A 1 436 ALA 436 394 394 ALA ALA A . n -A 1 437 SER 437 395 395 SER SER A . n -A 1 438 VAL 438 396 396 VAL VAL A . n -A 1 439 ILE 439 397 397 ILE ILE A . n -A 1 440 PRO 440 398 398 PRO PRO A . n -A 1 441 VAL 441 399 399 VAL VAL A . n -A 1 442 ALA 442 400 400 ALA ALA A . n -A 1 443 ARG 443 401 401 ARG ARG A . n -A 1 444 VAL 444 402 402 VAL VAL A . n -A 1 445 VAL 445 403 403 VAL VAL A . n -A 1 446 ASP 446 404 404 ASP ASP A . n -A 1 447 MET 447 405 405 MET MET A . n -A 1 448 LEU 448 406 406 LEU LEU A . n -A 1 449 GLU 449 407 407 GLU GLU A . n -A 1 450 ASN 450 408 408 ASN ASN A . n -A 1 451 PRO 451 409 409 PRO PRO A . n -A 1 452 GLY 452 410 410 GLY GLY A . n -A 1 453 ALA 453 411 411 ALA ALA A . n -A 1 454 GLU 454 412 412 GLU GLU A . n -A 1 455 PHE 455 413 413 PHE PHE A . n -A 1 456 ASP 456 414 414 ASP ASP A . n -A 1 457 PHE 457 415 415 PHE PHE A . n -A 1 458 ASN 458 416 416 ASN ASN A . n -A 1 459 GLY 459 417 417 GLY GLY A . n -A 1 460 THR 460 418 418 THR THR A . n -A 1 461 ARG 461 419 419 ARG ARG A . n -A 1 462 SER 462 420 420 SER SER A . n -A 1 463 LYS 463 421 421 LYS LYS A . n -A 1 464 PHE 464 422 422 PHE PHE A . n -A 1 465 PRO 465 423 423 PRO PRO A . n -A 1 466 ASP 466 424 424 ASP ASP A . n -A 1 467 VAL 467 425 425 VAL VAL A . n -A 1 468 LYS 468 426 426 LYS LYS A . n -A 1 469 MET 469 427 427 MET MET A . n -A 1 470 ALA 470 428 428 ALA ALA A . n -A 1 471 TYR 471 429 429 TYR TYR A . n -A 1 472 TRP 472 430 430 TRP TRP A . n -A 1 473 VAL 473 431 431 VAL VAL A . n -A 1 474 GLY 474 432 432 GLY GLY A . n -A 1 475 GLY 475 433 433 GLY GLY A . n -A 1 476 ASN 476 434 434 ASN ASN A . n -A 1 477 PRO 477 435 435 PRO PRO A . n -A 1 478 PHE 478 436 436 PHE PHE A . n -A 1 479 VAL 479 437 437 VAL VAL A . n -A 1 480 HIS 480 438 438 HIS HIS A . n -A 1 481 HIS 481 439 439 HIS HIS A . n -A 1 482 GLN 482 440 440 GLN GLN A . n -A 1 483 ASP 483 441 441 ASP ASP A . n -A 1 484 ARG 484 442 442 ARG ARG A . n -A 1 485 ASN 485 443 443 ASN ASN A . n -A 1 486 ARG 486 444 444 ARG ARG A . n -A 1 487 MET 487 445 445 MET MET A . n -A 1 488 VAL 488 446 446 VAL VAL A . n -A 1 489 LYS 489 447 447 LYS LYS A . n -A 1 490 ALA 490 448 448 ALA ALA A . n -A 1 491 TRP 491 449 449 TRP TRP A . n -A 1 492 GLU 492 450 450 GLU GLU A . n -A 1 493 LYS 493 451 451 LYS LYS A . n -A 1 494 LEU 494 452 452 LEU LEU A . n -A 1 495 GLU 495 453 453 GLU GLU A . n -A 1 496 THR 496 454 454 THR THR A . n -A 1 497 PHE 497 455 455 PHE PHE A . n -A 1 498 VAL 498 456 456 VAL VAL A . n -A 1 499 VAL 499 457 457 VAL VAL A . n -A 1 500 HIS 500 458 458 HIS HIS A . n -A 1 501 ASP 501 459 459 ASP ASP A . n -A 1 502 PHE 502 460 460 PHE PHE A . n -A 1 503 GLN 503 461 461 GLN GLN A . n -A 1 504 TRP 504 462 462 TRP TRP A . n -A 1 505 THR 505 463 463 THR THR A . n -A 1 506 PRO 506 464 464 PRO PRO A . n -A 1 507 THR 507 465 465 THR THR A . n -A 1 508 ALA 508 466 466 ALA ALA A . n -A 1 509 ARG 509 467 467 ARG ARG A . n -A 1 510 HIS 510 468 468 HIS HIS A . n -A 1 511 ALA 511 469 469 ALA ALA A . n -A 1 512 ASP 512 470 470 ASP ASP A . n -A 1 513 ILE 513 471 471 ILE ILE A . n -A 1 514 VAL 514 472 472 VAL VAL A . n -A 1 515 LEU 515 473 473 LEU LEU A . n -A 1 516 PRO 516 474 474 PRO PRO A . n -A 1 517 ALA 517 475 475 ALA ALA A . n -A 1 518 THR 518 476 476 THR THR A . n -A 1 519 THR 519 477 477 THR THR A . n -A 1 520 SER 520 478 478 SER SER A . n -A 1 521 TYR 521 479 479 TYR TYR A . n -A 1 522 GLU 522 480 480 GLU GLU A . n -A 1 523 ARG 523 481 481 ARG ARG A . n -A 1 524 ASN 524 482 482 ASN ASN A . n -A 1 525 ASP 525 483 483 ASP ASP A . n -A 1 526 ILE 526 484 484 ILE ILE A . n -A 1 527 GLU 527 485 485 GLU GLU A . n -A 1 528 THR 528 486 486 THR THR A . n -A 1 529 ILE 529 487 487 ILE ILE A . n -A 1 530 GLY 530 488 488 GLY GLY A . n -A 1 531 ASP 531 489 489 ASP ASP A . n -A 1 532 TYR 532 490 490 TYR TYR A . n -A 1 533 SER 533 491 491 SER SER A . n -A 1 534 ASN 534 492 492 ASN ASN A . n -A 1 535 THR 535 493 493 THR THR A . n -A 1 536 GLY 536 494 494 GLY GLY A . n -A 1 537 ILE 537 495 495 ILE ILE A . n -A 1 538 LEU 538 496 496 LEU LEU A . n -A 1 539 ALA 539 497 497 ALA ALA A . n -A 1 540 MET 540 498 498 MET MET A . n -A 1 541 LYS 541 499 499 LYS LYS A . n -A 1 542 LYS 542 500 500 LYS LYS A . n -A 1 543 ILE 543 501 501 ILE ILE A . n -A 1 544 VAL 544 502 502 VAL VAL A . n -A 1 545 GLU 545 503 503 GLU GLU A . n -A 1 546 PRO 546 504 504 PRO PRO A . n -A 1 547 LEU 547 505 505 LEU LEU A . n -A 1 548 TYR 548 506 506 TYR TYR A . n -A 1 549 GLU 549 507 507 GLU GLU A . n -A 1 550 ALA 550 508 508 ALA ALA A . n -A 1 551 ARG 551 509 509 ARG ARG A . n -A 1 552 SER 552 510 510 SER SER A . n -A 1 553 ASP 553 511 511 ASP ASP A . n -A 1 554 TYR 554 512 512 TYR TYR A . n -A 1 555 ASP 555 513 513 ASP ASP A . n -A 1 556 ILE 556 514 514 ILE ILE A . n -A 1 557 PHE 557 515 515 PHE PHE A . n -A 1 558 ALA 558 516 516 ALA ALA A . n -A 1 559 ALA 559 517 517 ALA ALA A . n -A 1 560 VAL 560 518 518 VAL VAL A . n -A 1 561 ALA 561 519 519 ALA ALA A . n -A 1 562 GLU 562 520 520 GLU GLU A . n -A 1 563 ARG 563 521 521 ARG ARG A . n -A 1 564 LEU 564 522 522 LEU LEU A . n -A 1 565 GLY 565 523 523 GLY GLY A . n -A 1 566 LYS 566 524 524 LYS LYS A . n -A 1 567 GLY 567 525 525 GLY GLY A . n -A 1 568 ALA 568 526 526 ALA ALA A . n -A 1 569 GLU 569 527 527 GLU GLU A . n -A 1 570 PHE 570 528 528 PHE PHE A . n -A 1 571 THR 571 529 529 THR THR A . n -A 1 572 GLU 572 530 530 GLU GLU A . n -A 1 573 GLY 573 531 531 GLY GLY A . n -A 1 574 LYS 574 532 532 LYS LYS A . n -A 1 575 ASP 575 533 533 ASP ASP A . n -A 1 576 GLU 576 534 534 GLU GLU A . n -A 1 577 MET 577 535 535 MET MET A . n -A 1 578 GLY 578 536 536 GLY GLY A . n -A 1 579 TRP 579 537 537 TRP TRP A . n -A 1 580 ILE 580 538 538 ILE ILE A . n -A 1 581 LYS 581 539 539 LYS LYS A . n -A 1 582 SER 582 540 540 SER SER A . n -A 1 583 PHE 583 541 541 PHE PHE A . n -A 1 584 TYR 584 542 542 TYR TYR A . n -A 1 585 ASP 585 543 543 ASP ASP A . n -A 1 586 ASP 586 544 544 ASP ASP A . n -A 1 587 ALA 587 545 545 ALA ALA A . n -A 1 588 ALA 588 546 546 ALA ALA A . n -A 1 589 LYS 589 547 547 LYS LYS A . n -A 1 590 GLN 590 548 548 GLN GLN A . n -A 1 591 GLY 591 549 549 GLY GLY A . n -A 1 592 LYS 592 550 550 LYS LYS A . n -A 1 593 ALA 593 551 551 ALA ALA A . n -A 1 594 ALA 594 552 552 ALA ALA A . n -A 1 595 GLY 595 553 553 GLY GLY A . n -A 1 596 VAL 596 554 554 VAL VAL A . n -A 1 597 GLN 597 555 555 GLN GLN A . n -A 1 598 MET 598 556 556 MET MET A . n -A 1 599 PRO 599 557 557 PRO PRO A . n -A 1 600 ALA 600 558 558 ALA ALA A . n -A 1 601 PHE 601 559 559 PHE PHE A . n -A 1 602 ASP 602 560 560 ASP ASP A . n -A 1 603 ALA 603 561 561 ALA ALA A . n -A 1 604 PHE 604 562 562 PHE PHE A . n -A 1 605 TRP 605 563 563 TRP TRP A . n -A 1 606 ALA 606 564 564 ALA ALA A . n -A 1 607 GLU 607 565 565 GLU GLU A . n -A 1 608 GLY 608 566 566 GLY GLY A . n -A 1 609 ILE 609 567 567 ILE ILE A . n -A 1 610 VAL 610 568 568 VAL VAL A . n -A 1 611 GLU 611 569 569 GLU GLU A . n -A 1 612 PHE 612 570 570 PHE PHE A . n -A 1 613 PRO 613 571 571 PRO PRO A . n -A 1 614 VAL 614 572 572 VAL VAL A . n -A 1 615 THR 615 573 573 THR THR A . n -A 1 616 ASP 616 574 574 ASP ASP A . n -A 1 617 GLY 617 575 575 GLY GLY A . n -A 1 618 ALA 618 576 576 ALA ALA A . n -A 1 619 ASP 619 577 577 ASP ASP A . n -A 1 620 PHE 620 578 578 PHE PHE A . n -A 1 621 VAL 621 579 579 VAL VAL A . n -A 1 622 ARG 622 580 580 ARG ARG A . n -A 1 623 TYR 623 581 581 TYR TYR A . n -A 1 624 ALA 624 582 582 ALA ALA A . n -A 1 625 SER 625 583 583 SER SER A . n -A 1 626 PHE 626 584 584 PHE PHE A . n -A 1 627 ARG 627 585 585 ARG ARG A . n -A 1 628 GLU 628 586 586 GLU GLU A . n -A 1 629 ASP 629 587 587 ASP ASP A . n -A 1 630 PRO 630 588 588 PRO PRO A . n -A 1 631 LEU 631 589 589 LEU LEU A . n -A 1 632 LEU 632 590 590 LEU LEU A . n -A 1 633 ASN 633 591 591 ASN ASN A . n -A 1 634 PRO 634 592 592 PRO PRO A . n -A 1 635 LEU 635 593 593 LEU LEU A . n -A 1 636 GLY 636 594 594 GLY GLY A . n -A 1 637 THR 637 595 595 THR THR A . n -A 1 638 PRO 638 596 596 PRO PRO A . n -A 1 639 THR 639 597 597 THR THR A . n -A 1 640 GLY 640 598 598 GLY GLY A . n -A 1 641 LEU 641 599 599 LEU LEU A . n -A 1 642 ILE 642 600 600 ILE ILE A . n -A 1 643 GLU 643 601 601 GLU GLU A . n -A 1 644 ILE 644 602 602 ILE ILE A . n -A 1 645 TYR 645 603 603 TYR TYR A . n -A 1 646 SER 646 604 604 SER SER A . n -A 1 647 LYS 647 605 605 LYS LYS A . n -A 1 648 ASN 648 606 606 ASN ASN A . n -A 1 649 ILE 649 607 607 ILE ILE A . n -A 1 650 GLU 650 608 608 GLU GLU A . n -A 1 651 LYS 651 609 609 LYS LYS A . n -A 1 652 MET 652 610 610 MET MET A . n -A 1 653 GLY 653 611 611 GLY GLY A . n -A 1 654 TYR 654 612 612 TYR TYR A . n -A 1 655 ASP 655 613 613 ASP ASP A . n -A 1 656 ASP 656 614 614 ASP ASP A . n -A 1 657 CYS 657 615 615 CYS CYS A . n -A 1 658 PRO 658 616 616 PRO PRO A . n -A 1 659 ALA 659 617 617 ALA ALA A . n -A 1 660 HIS 660 618 618 HIS HIS A . n -A 1 661 PRO 661 619 619 PRO PRO A . n -A 1 662 THR 662 620 620 THR THR A . n -A 1 663 TRP 663 621 621 TRP TRP A . n -A 1 664 MET 664 622 622 MET MET A . n -A 1 665 GLU 665 623 623 GLU GLU A . n -A 1 666 PRO 666 624 624 PRO PRO A . n -A 1 667 LEU 667 625 625 LEU LEU A . n -A 1 668 GLU 668 626 626 GLU GLU A . n -A 1 669 ARG 669 627 627 ARG ARG A . n -A 1 670 LEU 670 628 628 LEU LEU A . n -A 1 671 ASP 671 629 629 ASP ASP A . n -A 1 672 GLY 672 630 630 GLY GLY A . n -A 1 673 PRO 673 631 631 PRO PRO A . n -A 1 674 GLY 674 632 632 GLY GLY A . n -A 1 675 ALA 675 633 633 ALA ALA A . n -A 1 676 LYS 676 634 634 LYS LYS A . n -A 1 677 TYR 677 635 635 TYR TYR A . n -A 1 678 PRO 678 636 636 PRO PRO A . n -A 1 679 LEU 679 637 637 LEU LEU A . n -A 1 680 HIS 680 638 638 HIS HIS A . n -A 1 681 ILE 681 639 639 ILE ILE A . n -A 1 682 ALA 682 640 640 ALA ALA A . n -A 1 683 ALA 683 641 641 ALA ALA A . n -A 1 684 SER 684 642 642 SER SER A . n -A 1 685 HIS 685 643 643 HIS HIS A . n -A 1 686 PRO 686 644 644 PRO PRO A . n -A 1 687 PHE 687 645 645 PHE PHE A . n -A 1 688 ASN 688 646 646 ASN ASN A . n -A 1 689 ARG 689 647 647 ARG ARG A . n -A 1 690 LEU 690 648 648 LEU LEU A . n -A 1 691 HIS 691 649 649 HIS HIS A . n -A 1 692 SER 692 650 650 SER SER A . n -A 1 693 GLN 693 651 651 GLN GLN A . n -A 1 694 LEU 694 652 652 LEU LEU A . n -A 1 695 ASN 695 653 653 ASN ASN A . n -A 1 696 GLY 696 654 654 GLY GLY A . n -A 1 697 THR 697 655 655 THR THR A . n -A 1 698 VAL 698 656 656 VAL VAL A . n -A 1 699 LEU 699 657 657 LEU LEU A . n -A 1 700 ARG 700 658 658 ARG ARG A . n -A 1 701 GLU 701 659 659 GLU GLU A . n -A 1 702 GLY 702 660 660 GLY GLY A . n -A 1 703 TYR 703 661 661 TYR TYR A . n -A 1 704 ALA 704 662 662 ALA ALA A . n -A 1 705 VAL 705 663 663 VAL VAL A . n -A 1 706 GLN 706 664 664 GLN GLN A . n -A 1 707 GLY 707 665 665 GLY GLY A . n -A 1 708 HIS 708 666 666 HIS HIS A . n -A 1 709 GLU 709 667 667 GLU GLU A . n -A 1 710 PRO 710 668 668 PRO PRO A . n -A 1 711 CYS 711 669 669 CYS CYS A . n -A 1 712 LEU 712 670 670 LEU LEU A . n -A 1 713 MET 713 671 671 MET MET A . n -A 1 714 HIS 714 672 672 HIS HIS A . n -A 1 715 PRO 715 673 673 PRO PRO A . n -A 1 716 ASP 716 674 674 ASP ASP A . n -A 1 717 ASP 717 675 675 ASP ASP A . n -A 1 718 ALA 718 676 676 ALA ALA A . n -A 1 719 ALA 719 677 677 ALA ALA A . n -A 1 720 ALA 720 678 678 ALA ALA A . n -A 1 721 ARG 721 679 679 ARG ARG A . n -A 1 722 GLY 722 680 680 GLY GLY A . n -A 1 723 ILE 723 681 681 ILE ILE A . n -A 1 724 ALA 724 682 682 ALA ALA A . n -A 1 725 ASP 725 683 683 ASP ASP A . n -A 1 726 GLY 726 684 684 GLY GLY A . n -A 1 727 ASP 727 685 685 ASP ASP A . n -A 1 728 VAL 728 686 686 VAL VAL A . n -A 1 729 VAL 729 687 687 VAL VAL A . n -A 1 730 ARG 730 688 688 ARG ARG A . n -A 1 731 VAL 731 689 689 VAL VAL A . n -A 1 732 HIS 732 690 690 HIS HIS A . n -A 1 733 ASN 733 691 691 ASN ASN A . n -A 1 734 ASP 734 692 692 ASP ASP A . n -A 1 735 ARG 735 693 693 ARG ARG A . n -A 1 736 GLY 736 694 694 GLY GLY A . n -A 1 737 GLN 737 695 695 GLN GLN A . n -A 1 738 ILE 738 696 696 ILE ILE A . n -A 1 739 LEU 739 697 697 LEU LEU A . n -A 1 740 THR 740 698 698 THR THR A . n -A 1 741 GLY 741 699 699 GLY GLY A . n -A 1 742 VAL 742 700 700 VAL VAL A . n -A 1 743 LYS 743 701 701 LYS LYS A . n -A 1 744 VAL 744 702 702 VAL VAL A . n -A 1 745 THR 745 703 703 THR THR A . n -A 1 746 ASP 746 704 704 ASP ASP A . n -A 1 747 ALA 747 705 705 ALA ALA A . n -A 1 748 VAL 748 706 706 VAL VAL A . n -A 1 749 MET 749 707 707 MET MET A . n -A 1 750 LYS 750 708 708 LYS LYS A . n -A 1 751 GLY 751 709 709 GLY GLY A . n -A 1 752 VAL 752 710 710 VAL VAL A . n -A 1 753 ILE 753 711 711 ILE ILE A . n -A 1 754 GLN 754 712 712 GLN GLN A . n -A 1 755 ILE 755 713 713 ILE ILE A . n -A 1 756 TYR 756 714 714 TYR TYR A . n -A 1 757 GLU 757 715 715 GLU GLU A . n -A 1 758 GLY 758 716 716 GLY GLY A . n -A 1 759 GLY 759 717 717 GLY GLY A . n -A 1 760 TRP 760 718 718 TRP TRP A . n -A 1 761 TYR 761 719 719 TYR TYR A . n -A 1 762 ASP 762 720 720 ASP ASP A . n -A 1 763 PRO 763 721 721 PRO PRO A . n -A 1 764 SER 764 722 722 SER SER A . n -A 1 765 ASP 765 723 723 ASP ASP A . n -A 1 766 VAL 766 724 724 VAL VAL A . n -A 1 767 THR 767 725 725 THR THR A . n -A 1 768 GLU 768 726 726 GLU GLU A . n -A 1 769 PRO 769 727 727 PRO PRO A . n -A 1 770 GLY 770 728 728 GLY GLY A . n -A 1 771 THR 771 729 729 THR THR A . n -A 1 772 LEU 772 730 730 LEU LEU A . n -A 1 773 ASP 773 731 731 ASP ASP A . n -A 1 774 LYS 774 732 732 LYS LYS A . n -A 1 775 TYR 775 733 733 TYR TYR A . n -A 1 776 GLY 776 734 734 GLY GLY A . n -A 1 777 ASP 777 735 735 ASP ASP A . n -A 1 778 VAL 778 736 736 VAL VAL A . n -A 1 779 ASN 779 737 737 ASN ASN A . n -A 1 780 VAL 780 738 738 VAL VAL A . n -A 1 781 LEU 781 739 739 LEU LEU A . n -A 1 782 SER 782 740 740 SER SER A . n -A 1 783 ALA 783 741 741 ALA ALA A . n -A 1 784 ASP 784 742 742 ASP ASP A . n -A 1 785 ILE 785 743 743 ILE ILE A . n -A 1 786 GLY 786 744 744 GLY GLY A . n -A 1 787 THR 787 745 745 THR THR A . n -A 1 788 SER 788 746 746 SER SER A . n -A 1 789 LYS 789 747 747 LYS LYS A . n -A 1 790 LEU 790 748 748 LEU LEU A . n -A 1 791 ALA 791 749 749 ALA ALA A . n -A 1 792 GLN 792 750 750 GLN GLN A . n -A 1 793 GLY 793 751 751 GLY GLY A . n -A 1 794 ASN 794 752 752 ASN ASN A . n -A 1 795 CYS 795 753 753 CYS CYS A . n -A 1 796 GLY 796 754 754 GLY GLY A . n -A 1 797 GLN 797 755 755 GLN GLN A . n -A 1 798 THR 798 756 756 THR THR A . n -A 1 799 VAL 799 757 757 VAL VAL A . n -A 1 800 LEU 800 758 758 LEU LEU A . n -A 1 801 ALA 801 759 759 ALA ALA A . n -A 1 802 GLU 802 760 760 GLU GLU A . n -A 1 803 VAL 803 761 761 VAL VAL A . n -A 1 804 GLU 804 762 762 GLU GLU A . n -A 1 805 LYS 805 763 763 LYS LYS A . n -A 1 806 TYR 806 764 764 TYR TYR A . n -A 1 807 THR 807 765 765 THR THR A . n -A 1 808 GLY 808 766 766 GLY GLY A . n -A 1 809 PRO 809 767 767 PRO PRO A . n -A 1 810 ALA 810 768 768 ALA ALA A . n -A 1 811 VAL 811 769 769 VAL VAL A . n -A 1 812 THR 812 770 770 THR THR A . n -A 1 813 LEU 813 771 771 LEU LEU A . n -A 1 814 THR 814 772 772 THR THR A . n -A 1 815 GLY 815 773 773 GLY GLY A . n -A 1 816 PHE 816 774 774 PHE PHE A . n -A 1 817 VAL 817 775 775 VAL VAL A . n -A 1 818 ALA 818 776 776 ALA ALA A . n -A 1 819 PRO 819 777 777 PRO PRO A . n -A 1 820 LYS 820 778 778 LYS LYS A . n -A 1 821 ALA 821 779 779 ALA ALA A . n -A 1 822 ALA 822 780 780 ALA ALA A . n -A 1 823 GLU 823 781 781 GLU GLU A . n -# -loop_ -_pdbx_nonpoly_scheme.asym_id -_pdbx_nonpoly_scheme.entity_id -_pdbx_nonpoly_scheme.mon_id -_pdbx_nonpoly_scheme.ndb_seq_num -_pdbx_nonpoly_scheme.pdb_seq_num -_pdbx_nonpoly_scheme.auth_seq_num -_pdbx_nonpoly_scheme.pdb_mon_id -_pdbx_nonpoly_scheme.auth_mon_id -_pdbx_nonpoly_scheme.pdb_strand_id -_pdbx_nonpoly_scheme.pdb_ins_code -B 2 PGD 1 782 1 PGD PGD A . -C 2 PGD 1 783 2 PGD PGD A . -D 3 6MO 1 784 3 6MO 6MO A . -E 4 O 1 785 4 O O A . -F 4 O 1 786 5 O O A . -G 5 HOH 1 787 1 HOH HOH A . -G 5 HOH 2 788 2 HOH HOH A . -G 5 HOH 3 789 3 HOH HOH A . -G 5 HOH 4 790 4 HOH HOH A . -G 5 HOH 5 791 5 HOH HOH A . -G 5 HOH 6 792 6 HOH HOH A . -G 5 HOH 7 793 7 HOH HOH A . -G 5 HOH 8 794 8 HOH HOH A . -G 5 HOH 9 795 9 HOH HOH A . -G 5 HOH 10 796 10 HOH HOH A . -G 5 HOH 11 797 11 HOH HOH A . -G 5 HOH 12 798 12 HOH HOH A . -G 5 HOH 13 799 13 HOH HOH A . -G 5 HOH 14 800 14 HOH HOH A . -G 5 HOH 15 801 15 HOH HOH A . -G 5 HOH 16 802 16 HOH HOH A . -G 5 HOH 17 803 17 HOH HOH A . -G 5 HOH 18 804 18 HOH HOH A . -G 5 HOH 19 805 19 HOH HOH A . -G 5 HOH 20 806 20 HOH HOH A . -G 5 HOH 21 807 21 HOH HOH A . -G 5 HOH 22 808 22 HOH HOH A . -G 5 HOH 23 809 23 HOH HOH A . -G 5 HOH 24 810 24 HOH HOH A . -G 5 HOH 25 811 25 HOH HOH A . -G 5 HOH 26 812 26 HOH HOH A . -G 5 HOH 27 813 27 HOH HOH A . -G 5 HOH 28 814 28 HOH HOH A . -G 5 HOH 29 815 29 HOH HOH A . -G 5 HOH 30 816 30 HOH HOH A . -G 5 HOH 31 817 31 HOH HOH A . -G 5 HOH 32 818 32 HOH HOH A . -G 5 HOH 33 819 33 HOH HOH A . -G 5 HOH 34 820 34 HOH HOH A . -G 5 HOH 35 821 35 HOH HOH A . -G 5 HOH 36 822 36 HOH HOH A . -G 5 HOH 37 823 37 HOH HOH A . -G 5 HOH 38 824 38 HOH HOH A . -G 5 HOH 39 825 39 HOH HOH A . -G 5 HOH 40 826 40 HOH HOH A . -G 5 HOH 41 827 41 HOH HOH A . -G 5 HOH 42 828 42 HOH HOH A . -G 5 HOH 43 829 43 HOH HOH A . -G 5 HOH 44 830 44 HOH HOH A . -G 5 HOH 45 831 45 HOH HOH A . -G 5 HOH 46 832 46 HOH HOH A . -G 5 HOH 47 833 47 HOH HOH A . -G 5 HOH 48 834 48 HOH HOH A . -G 5 HOH 49 835 49 HOH HOH A . -G 5 HOH 50 836 50 HOH HOH A . -G 5 HOH 51 837 51 HOH HOH A . -G 5 HOH 52 838 52 HOH HOH A . -G 5 HOH 53 839 53 HOH HOH A . -G 5 HOH 54 840 54 HOH HOH A . -G 5 HOH 55 841 55 HOH HOH A . -G 5 HOH 56 842 56 HOH HOH A . -G 5 HOH 57 843 57 HOH HOH A . -G 5 HOH 58 844 58 HOH HOH A . -G 5 HOH 59 845 59 HOH HOH A . -G 5 HOH 60 846 60 HOH HOH A . -G 5 HOH 61 847 61 HOH HOH A . -G 5 HOH 62 848 62 HOH HOH A . -G 5 HOH 63 849 63 HOH HOH A . -G 5 HOH 64 850 64 HOH HOH A . -G 5 HOH 65 851 65 HOH HOH A . -G 5 HOH 66 852 66 HOH HOH A . -G 5 HOH 67 853 67 HOH HOH A . -G 5 HOH 68 854 68 HOH HOH A . -G 5 HOH 69 855 69 HOH HOH A . -G 5 HOH 70 856 70 HOH HOH A . -G 5 HOH 71 857 71 HOH HOH A . -G 5 HOH 72 858 72 HOH HOH A . -G 5 HOH 73 859 73 HOH HOH A . -G 5 HOH 74 860 74 HOH HOH A . -G 5 HOH 75 861 75 HOH HOH A . -G 5 HOH 76 862 76 HOH HOH A . -G 5 HOH 77 863 77 HOH HOH A . -G 5 HOH 78 864 78 HOH HOH A . -G 5 HOH 79 865 79 HOH HOH A . -G 5 HOH 80 866 80 HOH HOH A . -G 5 HOH 81 867 81 HOH HOH A . -G 5 HOH 82 868 82 HOH HOH A . -G 5 HOH 83 869 83 HOH HOH A . -G 5 HOH 84 870 84 HOH HOH A . -G 5 HOH 85 871 85 HOH HOH A . -G 5 HOH 86 872 86 HOH HOH A . -G 5 HOH 87 873 87 HOH HOH A . -G 5 HOH 88 874 88 HOH HOH A . -G 5 HOH 89 875 89 HOH HOH A . -G 5 HOH 90 876 90 HOH HOH A . -G 5 HOH 91 877 91 HOH HOH A . -G 5 HOH 92 878 92 HOH HOH A . -G 5 HOH 93 879 93 HOH HOH A . -G 5 HOH 94 880 94 HOH HOH A . -G 5 HOH 95 881 95 HOH HOH A . -G 5 HOH 96 882 96 HOH HOH A . -G 5 HOH 97 883 97 HOH HOH A . -G 5 HOH 98 884 98 HOH HOH A . -G 5 HOH 99 885 99 HOH HOH A . -G 5 HOH 100 886 100 HOH HOH A . -G 5 HOH 101 887 101 HOH HOH A . -G 5 HOH 102 888 102 HOH HOH A . -G 5 HOH 103 889 103 HOH HOH A . -G 5 HOH 104 890 104 HOH HOH A . -G 5 HOH 105 891 105 HOH HOH A . -G 5 HOH 106 892 106 HOH HOH A . -G 5 HOH 107 893 107 HOH HOH A . -G 5 HOH 108 894 108 HOH HOH A . -G 5 HOH 109 895 109 HOH HOH A . -G 5 HOH 110 896 110 HOH HOH A . -G 5 HOH 111 897 111 HOH HOH A . -G 5 HOH 112 898 112 HOH HOH A . -G 5 HOH 113 899 113 HOH HOH A . -G 5 HOH 114 900 114 HOH HOH A . -G 5 HOH 115 901 115 HOH HOH A . -G 5 HOH 116 902 116 HOH HOH A . -G 5 HOH 117 903 117 HOH HOH A . -G 5 HOH 118 904 118 HOH HOH A . -G 5 HOH 119 905 119 HOH HOH A . -G 5 HOH 120 906 120 HOH HOH A . -G 5 HOH 121 907 121 HOH HOH A . -G 5 HOH 122 908 122 HOH HOH A . -G 5 HOH 123 909 123 HOH HOH A . -G 5 HOH 124 910 124 HOH HOH A . -G 5 HOH 125 911 125 HOH HOH A . -G 5 HOH 126 912 126 HOH HOH A . -G 5 HOH 127 913 127 HOH HOH A . -G 5 HOH 128 914 128 HOH HOH A . -G 5 HOH 129 915 129 HOH HOH A . -G 5 HOH 130 916 130 HOH HOH A . -G 5 HOH 131 917 131 HOH HOH A . -G 5 HOH 132 918 132 HOH HOH A . -G 5 HOH 133 919 133 HOH HOH A . -G 5 HOH 134 920 134 HOH HOH A . -G 5 HOH 135 921 135 HOH HOH A . -G 5 HOH 136 922 136 HOH HOH A . -G 5 HOH 137 923 137 HOH HOH A . -G 5 HOH 138 924 138 HOH HOH A . -G 5 HOH 139 925 139 HOH HOH A . -G 5 HOH 140 926 140 HOH HOH A . -G 5 HOH 141 927 141 HOH HOH A . -G 5 HOH 142 928 142 HOH HOH A . -G 5 HOH 143 929 143 HOH HOH A . -G 5 HOH 144 930 144 HOH HOH A . -G 5 HOH 145 931 145 HOH HOH A . -G 5 HOH 146 932 146 HOH HOH A . -G 5 HOH 147 933 147 HOH HOH A . -G 5 HOH 148 934 148 HOH HOH A . -G 5 HOH 149 935 149 HOH HOH A . -G 5 HOH 150 936 150 HOH HOH A . -G 5 HOH 151 937 151 HOH HOH A . -G 5 HOH 152 938 152 HOH HOH A . -G 5 HOH 153 939 153 HOH HOH A . -G 5 HOH 154 940 154 HOH HOH A . -G 5 HOH 155 941 155 HOH HOH A . -G 5 HOH 156 942 156 HOH HOH A . -G 5 HOH 157 943 157 HOH HOH A . -G 5 HOH 158 944 158 HOH HOH A . -G 5 HOH 159 945 159 HOH HOH A . -G 5 HOH 160 946 160 HOH HOH A . -G 5 HOH 161 947 161 HOH HOH A . -G 5 HOH 162 948 162 HOH HOH A . -G 5 HOH 163 949 163 HOH HOH A . -G 5 HOH 164 950 164 HOH HOH A . -G 5 HOH 165 951 165 HOH HOH A . -G 5 HOH 166 952 166 HOH HOH A . -G 5 HOH 167 953 167 HOH HOH A . -G 5 HOH 168 954 168 HOH HOH A . -G 5 HOH 169 955 169 HOH HOH A . -G 5 HOH 170 956 170 HOH HOH A . -G 5 HOH 171 957 171 HOH HOH A . -G 5 HOH 172 958 172 HOH HOH A . -G 5 HOH 173 959 173 HOH HOH A . -G 5 HOH 174 960 174 HOH HOH A . -G 5 HOH 175 961 175 HOH HOH A . -G 5 HOH 176 962 176 HOH HOH A . -G 5 HOH 177 963 177 HOH HOH A . -G 5 HOH 178 964 178 HOH HOH A . -G 5 HOH 179 965 179 HOH HOH A . -G 5 HOH 180 966 180 HOH HOH A . -G 5 HOH 181 967 181 HOH HOH A . -G 5 HOH 182 968 182 HOH HOH A . -G 5 HOH 183 969 183 HOH HOH A . -G 5 HOH 184 970 184 HOH HOH A . -G 5 HOH 185 971 185 HOH HOH A . -G 5 HOH 186 972 186 HOH HOH A . -G 5 HOH 187 973 187 HOH HOH A . -G 5 HOH 188 974 188 HOH HOH A . -G 5 HOH 189 975 189 HOH HOH A . -G 5 HOH 190 976 190 HOH HOH A . -G 5 HOH 191 977 191 HOH HOH A . -G 5 HOH 192 978 192 HOH HOH A . -G 5 HOH 193 979 193 HOH HOH A . -G 5 HOH 194 980 194 HOH HOH A . -G 5 HOH 195 981 195 HOH HOH A . -G 5 HOH 196 982 196 HOH HOH A . -G 5 HOH 197 983 197 HOH HOH A . -G 5 HOH 198 984 198 HOH HOH A . -G 5 HOH 199 985 199 HOH HOH A . -G 5 HOH 200 986 200 HOH HOH A . -G 5 HOH 201 987 201 HOH HOH A . -G 5 HOH 202 988 202 HOH HOH A . -G 5 HOH 203 989 203 HOH HOH A . -G 5 HOH 204 990 204 HOH HOH A . -G 5 HOH 205 991 205 HOH HOH A . -G 5 HOH 206 992 206 HOH HOH A . -G 5 HOH 207 993 207 HOH HOH A . -G 5 HOH 208 994 208 HOH HOH A . -G 5 HOH 209 995 209 HOH HOH A . -G 5 HOH 210 996 210 HOH HOH A . -G 5 HOH 211 997 211 HOH HOH A . -G 5 HOH 212 998 212 HOH HOH A . -G 5 HOH 213 999 213 HOH HOH A . -G 5 HOH 214 1000 214 HOH HOH A . -G 5 HOH 215 1001 215 HOH HOH A . -G 5 HOH 216 1002 216 HOH HOH A . -G 5 HOH 217 1003 217 HOH HOH A . -G 5 HOH 218 1004 218 HOH HOH A . -G 5 HOH 219 1005 219 HOH HOH A . -G 5 HOH 220 1006 220 HOH HOH A . -G 5 HOH 221 1007 221 HOH HOH A . -G 5 HOH 222 1008 222 HOH HOH A . -G 5 HOH 223 1009 223 HOH HOH A . -G 5 HOH 224 1010 224 HOH HOH A . -G 5 HOH 225 1011 225 HOH HOH A . -G 5 HOH 226 1012 226 HOH HOH A . -G 5 HOH 227 1013 227 HOH HOH A . -G 5 HOH 228 1014 228 HOH HOH A . -G 5 HOH 229 1015 229 HOH HOH A . -G 5 HOH 230 1016 230 HOH HOH A . -G 5 HOH 231 1017 231 HOH HOH A . -G 5 HOH 232 1018 232 HOH HOH A . -G 5 HOH 233 1019 233 HOH HOH A . -G 5 HOH 234 1020 234 HOH HOH A . -G 5 HOH 235 1021 235 HOH HOH A . -G 5 HOH 236 1022 236 HOH HOH A . -G 5 HOH 237 1023 237 HOH HOH A . -G 5 HOH 238 1024 238 HOH HOH A . -G 5 HOH 239 1025 239 HOH HOH A . -G 5 HOH 240 1026 240 HOH HOH A . -G 5 HOH 241 1027 241 HOH HOH A . -G 5 HOH 242 1028 242 HOH HOH A . -G 5 HOH 243 1029 243 HOH HOH A . -G 5 HOH 244 1030 244 HOH HOH A . -G 5 HOH 245 1031 245 HOH HOH A . -G 5 HOH 246 1032 246 HOH HOH A . -G 5 HOH 247 1033 247 HOH HOH A . -G 5 HOH 248 1034 248 HOH HOH A . -G 5 HOH 249 1035 249 HOH HOH A . -G 5 HOH 250 1036 250 HOH HOH A . -G 5 HOH 251 1037 251 HOH HOH A . -G 5 HOH 252 1038 252 HOH HOH A . -G 5 HOH 253 1039 253 HOH HOH A . -G 5 HOH 254 1040 254 HOH HOH A . -G 5 HOH 255 1041 255 HOH HOH A . -G 5 HOH 256 1042 256 HOH HOH A . -G 5 HOH 257 1043 257 HOH HOH A . -G 5 HOH 258 1044 258 HOH HOH A . -G 5 HOH 259 1045 259 HOH HOH A . -G 5 HOH 260 1046 260 HOH HOH A . -G 5 HOH 261 1047 261 HOH HOH A . -G 5 HOH 262 1048 262 HOH HOH A . -G 5 HOH 263 1049 263 HOH HOH A . -G 5 HOH 264 1050 264 HOH HOH A . -G 5 HOH 265 1051 265 HOH HOH A . -G 5 HOH 266 1052 266 HOH HOH A . -G 5 HOH 267 1053 267 HOH HOH A . -G 5 HOH 268 1054 268 HOH HOH A . -G 5 HOH 269 1055 269 HOH HOH A . -G 5 HOH 270 1056 270 HOH HOH A . -G 5 HOH 271 1057 271 HOH HOH A . -G 5 HOH 272 1058 272 HOH HOH A . -G 5 HOH 273 1059 273 HOH HOH A . -G 5 HOH 274 1060 274 HOH HOH A . -G 5 HOH 275 1061 275 HOH HOH A . -G 5 HOH 276 1062 276 HOH HOH A . -G 5 HOH 277 1063 277 HOH HOH A . -G 5 HOH 278 1064 278 HOH HOH A . -G 5 HOH 279 1065 279 HOH HOH A . -G 5 HOH 280 1066 280 HOH HOH A . -G 5 HOH 281 1067 281 HOH HOH A . -G 5 HOH 282 1068 282 HOH HOH A . -G 5 HOH 283 1069 283 HOH HOH A . -G 5 HOH 284 1070 284 HOH HOH A . -G 5 HOH 285 1071 285 HOH HOH A . -G 5 HOH 286 1072 286 HOH HOH A . -G 5 HOH 287 1073 287 HOH HOH A . -G 5 HOH 288 1074 288 HOH HOH A . -G 5 HOH 289 1075 289 HOH HOH A . -G 5 HOH 290 1076 290 HOH HOH A . -G 5 HOH 291 1077 291 HOH HOH A . -G 5 HOH 292 1078 292 HOH HOH A . -G 5 HOH 293 1079 293 HOH HOH A . -G 5 HOH 294 1080 294 HOH HOH A . -G 5 HOH 295 1081 295 HOH HOH A . -G 5 HOH 296 1082 296 HOH HOH A . -G 5 HOH 297 1083 297 HOH HOH A . -G 5 HOH 298 1084 298 HOH HOH A . -G 5 HOH 299 1085 299 HOH HOH A . -G 5 HOH 300 1086 300 HOH HOH A . -G 5 HOH 301 1087 301 HOH HOH A . -G 5 HOH 302 1088 302 HOH HOH A . -G 5 HOH 303 1089 303 HOH HOH A . -G 5 HOH 304 1090 304 HOH HOH A . -G 5 HOH 305 1091 305 HOH HOH A . -G 5 HOH 306 1092 306 HOH HOH A . -G 5 HOH 307 1093 307 HOH HOH A . -G 5 HOH 308 1094 308 HOH HOH A . -G 5 HOH 309 1095 309 HOH HOH A . -G 5 HOH 310 1096 310 HOH HOH A . -G 5 HOH 311 1097 311 HOH HOH A . -G 5 HOH 312 1098 312 HOH HOH A . -G 5 HOH 313 1099 313 HOH HOH A . -G 5 HOH 314 1100 314 HOH HOH A . -G 5 HOH 315 1101 315 HOH HOH A . -G 5 HOH 316 1102 316 HOH HOH A . -G 5 HOH 317 1103 317 HOH HOH A . -G 5 HOH 318 1104 318 HOH HOH A . -G 5 HOH 319 1105 319 HOH HOH A . -G 5 HOH 320 1106 320 HOH HOH A . -G 5 HOH 321 1107 321 HOH HOH A . -G 5 HOH 322 1108 322 HOH HOH A . -G 5 HOH 323 1109 323 HOH HOH A . -G 5 HOH 324 1110 324 HOH HOH A . -G 5 HOH 325 1111 325 HOH HOH A . -G 5 HOH 326 1112 326 HOH HOH A . -G 5 HOH 327 1113 327 HOH HOH A . -G 5 HOH 328 1114 328 HOH HOH A . -G 5 HOH 329 1115 329 HOH HOH A . -G 5 HOH 330 1116 330 HOH HOH A . -G 5 HOH 331 1117 331 HOH HOH A . -G 5 HOH 332 1118 332 HOH HOH A . -G 5 HOH 333 1119 333 HOH HOH A . -G 5 HOH 334 1120 334 HOH HOH A . -G 5 HOH 335 1121 335 HOH HOH A . -G 5 HOH 336 1122 336 HOH HOH A . -G 5 HOH 337 1123 337 HOH HOH A . -G 5 HOH 338 1124 338 HOH HOH A . -G 5 HOH 339 1125 339 HOH HOH A . -G 5 HOH 340 1126 340 HOH HOH A . -G 5 HOH 341 1127 341 HOH HOH A . -G 5 HOH 342 1128 342 HOH HOH A . -G 5 HOH 343 1129 343 HOH HOH A . -G 5 HOH 344 1130 344 HOH HOH A . -G 5 HOH 345 1131 345 HOH HOH A . -G 5 HOH 346 1132 346 HOH HOH A . -G 5 HOH 347 1133 347 HOH HOH A . -G 5 HOH 348 1134 348 HOH HOH A . -G 5 HOH 349 1135 349 HOH HOH A . -G 5 HOH 350 1136 350 HOH HOH A . -G 5 HOH 351 1137 351 HOH HOH A . -G 5 HOH 352 1138 352 HOH HOH A . -G 5 HOH 353 1139 353 HOH HOH A . -G 5 HOH 354 1140 354 HOH HOH A . -G 5 HOH 355 1141 355 HOH HOH A . -G 5 HOH 356 1142 356 HOH HOH A . -G 5 HOH 357 1143 357 HOH HOH A . -G 5 HOH 358 1144 358 HOH HOH A . -G 5 HOH 359 1145 359 HOH HOH A . -G 5 HOH 360 1146 360 HOH HOH A . -G 5 HOH 361 1147 361 HOH HOH A . -G 5 HOH 362 1148 362 HOH HOH A . -G 5 HOH 363 1149 363 HOH HOH A . -G 5 HOH 364 1150 364 HOH HOH A . -G 5 HOH 365 1151 365 HOH HOH A . -G 5 HOH 366 1152 366 HOH HOH A . -G 5 HOH 367 1153 367 HOH HOH A . -G 5 HOH 368 1154 368 HOH HOH A . -G 5 HOH 369 1155 369 HOH HOH A . -G 5 HOH 370 1156 370 HOH HOH A . -G 5 HOH 371 1157 371 HOH HOH A . -G 5 HOH 372 1158 372 HOH HOH A . -G 5 HOH 373 1159 373 HOH HOH A . -G 5 HOH 374 1160 374 HOH HOH A . -G 5 HOH 375 1161 375 HOH HOH A . -G 5 HOH 376 1162 376 HOH HOH A . -G 5 HOH 377 1163 377 HOH HOH A . -G 5 HOH 378 1164 378 HOH HOH A . -G 5 HOH 379 1165 379 HOH HOH A . -G 5 HOH 380 1166 380 HOH HOH A . -G 5 HOH 381 1167 381 HOH HOH A . -G 5 HOH 382 1168 382 HOH HOH A . -G 5 HOH 383 1169 383 HOH HOH A . -G 5 HOH 384 1170 384 HOH HOH A . -G 5 HOH 385 1171 385 HOH HOH A . -G 5 HOH 386 1172 386 HOH HOH A . -G 5 HOH 387 1173 387 HOH HOH A . -G 5 HOH 388 1174 388 HOH HOH A . -G 5 HOH 389 1175 389 HOH HOH A . -G 5 HOH 390 1176 390 HOH HOH A . -G 5 HOH 391 1177 391 HOH HOH A . -G 5 HOH 392 1178 392 HOH HOH A . -G 5 HOH 393 1179 393 HOH HOH A . -G 5 HOH 394 1180 394 HOH HOH A . -G 5 HOH 395 1181 395 HOH HOH A . -G 5 HOH 396 1182 396 HOH HOH A . -G 5 HOH 397 1183 397 HOH HOH A . -G 5 HOH 398 1184 398 HOH HOH A . -G 5 HOH 399 1185 399 HOH HOH A . -G 5 HOH 400 1186 400 HOH HOH A . -G 5 HOH 401 1187 401 HOH HOH A . -G 5 HOH 402 1188 402 HOH HOH A . -G 5 HOH 403 1189 403 HOH HOH A . -G 5 HOH 404 1190 404 HOH HOH A . -G 5 HOH 405 1191 405 HOH HOH A . -G 5 HOH 406 1192 406 HOH HOH A . -G 5 HOH 407 1193 407 HOH HOH A . -G 5 HOH 408 1194 408 HOH HOH A . -G 5 HOH 409 1195 409 HOH HOH A . -G 5 HOH 410 1196 410 HOH HOH A . -G 5 HOH 411 1197 411 HOH HOH A . -G 5 HOH 412 1198 412 HOH HOH A . -G 5 HOH 413 1199 413 HOH HOH A . -G 5 HOH 414 1200 414 HOH HOH A . -G 5 HOH 415 1201 415 HOH HOH A . -G 5 HOH 416 1202 416 HOH HOH A . -G 5 HOH 417 1203 417 HOH HOH A . -G 5 HOH 418 1204 418 HOH HOH A . -G 5 HOH 419 1205 419 HOH HOH A . -G 5 HOH 420 1206 420 HOH HOH A . -G 5 HOH 421 1207 421 HOH HOH A . -G 5 HOH 422 1208 422 HOH HOH A . -G 5 HOH 423 1209 423 HOH HOH A . -G 5 HOH 424 1210 424 HOH HOH A . -G 5 HOH 425 1211 425 HOH HOH A . -G 5 HOH 426 1212 426 HOH HOH A . -G 5 HOH 427 1213 427 HOH HOH A . -G 5 HOH 428 1214 428 HOH HOH A . -G 5 HOH 429 1215 429 HOH HOH A . -G 5 HOH 430 1216 430 HOH HOH A . -G 5 HOH 431 1217 431 HOH HOH A . -G 5 HOH 432 1218 432 HOH HOH A . -G 5 HOH 433 1219 433 HOH HOH A . -G 5 HOH 434 1220 434 HOH HOH A . -G 5 HOH 435 1221 435 HOH HOH A . -G 5 HOH 436 1222 436 HOH HOH A . -G 5 HOH 437 1223 437 HOH HOH A . -G 5 HOH 438 1224 438 HOH HOH A . -G 5 HOH 439 1225 439 HOH HOH A . -G 5 HOH 440 1226 440 HOH HOH A . -G 5 HOH 441 1227 441 HOH HOH A . -G 5 HOH 442 1228 442 HOH HOH A . -G 5 HOH 443 1229 443 HOH HOH A . -G 5 HOH 444 1230 444 HOH HOH A . -G 5 HOH 445 1231 445 HOH HOH A . -G 5 HOH 446 1232 446 HOH HOH A . -G 5 HOH 447 1233 447 HOH HOH A . -G 5 HOH 448 1234 448 HOH HOH A . -G 5 HOH 449 1235 449 HOH HOH A . -G 5 HOH 450 1236 450 HOH HOH A . -G 5 HOH 451 1237 451 HOH HOH A . -G 5 HOH 452 1238 452 HOH HOH A . -G 5 HOH 453 1239 453 HOH HOH A . -G 5 HOH 454 1240 454 HOH HOH A . -G 5 HOH 455 1241 455 HOH HOH A . -G 5 HOH 456 1242 456 HOH HOH A . -G 5 HOH 457 1243 457 HOH HOH A . -G 5 HOH 458 1244 458 HOH HOH A . -G 5 HOH 459 1245 459 HOH HOH A . -G 5 HOH 460 1246 460 HOH HOH A . -G 5 HOH 461 1247 461 HOH HOH A . -G 5 HOH 462 1248 462 HOH HOH A . -G 5 HOH 463 1249 463 HOH HOH A . -G 5 HOH 464 1250 464 HOH HOH A . -G 5 HOH 465 1251 465 HOH HOH A . -G 5 HOH 466 1252 466 HOH HOH A . -G 5 HOH 467 1253 467 HOH HOH A . -G 5 HOH 468 1254 468 HOH HOH A . -G 5 HOH 469 1255 469 HOH HOH A . -G 5 HOH 470 1256 470 HOH HOH A . -G 5 HOH 471 1257 471 HOH HOH A . -G 5 HOH 472 1258 472 HOH HOH A . -G 5 HOH 473 1259 473 HOH HOH A . -G 5 HOH 474 1260 474 HOH HOH A . -G 5 HOH 475 1261 475 HOH HOH A . -G 5 HOH 476 1262 476 HOH HOH A . -G 5 HOH 477 1263 477 HOH HOH A . -G 5 HOH 478 1264 478 HOH HOH A . -G 5 HOH 479 1265 479 HOH HOH A . -G 5 HOH 480 1266 480 HOH HOH A . -G 5 HOH 481 1267 481 HOH HOH A . -G 5 HOH 482 1268 482 HOH HOH A . -G 5 HOH 483 1269 483 HOH HOH A . -G 5 HOH 484 1270 484 HOH HOH A . -G 5 HOH 485 1271 485 HOH HOH A . -G 5 HOH 486 1272 486 HOH HOH A . -G 5 HOH 487 1273 487 HOH HOH A . -G 5 HOH 488 1274 488 HOH HOH A . -G 5 HOH 489 1275 489 HOH HOH A . -G 5 HOH 490 1276 490 HOH HOH A . -G 5 HOH 491 1277 491 HOH HOH A . -G 5 HOH 492 1278 492 HOH HOH A . -G 5 HOH 493 1279 493 HOH HOH A . -G 5 HOH 494 1280 494 HOH HOH A . -G 5 HOH 495 1281 495 HOH HOH A . -G 5 HOH 496 1282 496 HOH HOH A . -G 5 HOH 497 1283 497 HOH HOH A . -G 5 HOH 498 1284 498 HOH HOH A . -G 5 HOH 499 1285 499 HOH HOH A . -G 5 HOH 500 1286 500 HOH HOH A . -G 5 HOH 501 1287 501 HOH HOH A . -G 5 HOH 502 1288 502 HOH HOH A . -G 5 HOH 503 1289 503 HOH HOH A . -G 5 HOH 504 1290 504 HOH HOH A . -G 5 HOH 505 1291 505 HOH HOH A . -G 5 HOH 506 1292 506 HOH HOH A . -G 5 HOH 507 1293 507 HOH HOH A . -G 5 HOH 508 1294 508 HOH HOH A . -G 5 HOH 509 1295 509 HOH HOH A . -G 5 HOH 510 1296 510 HOH HOH A . -G 5 HOH 511 1297 511 HOH HOH A . -G 5 HOH 512 1298 512 HOH HOH A . -G 5 HOH 513 1299 513 HOH HOH A . -G 5 HOH 514 1300 514 HOH HOH A . -G 5 HOH 515 1301 515 HOH HOH A . -G 5 HOH 516 1302 516 HOH HOH A . -G 5 HOH 517 1303 517 HOH HOH A . -G 5 HOH 518 1304 518 HOH HOH A . -G 5 HOH 519 1305 519 HOH HOH A . -G 5 HOH 520 1306 520 HOH HOH A . -G 5 HOH 521 1307 521 HOH HOH A . -G 5 HOH 522 1308 522 HOH HOH A . -G 5 HOH 523 1309 523 HOH HOH A . -G 5 HOH 524 1310 524 HOH HOH A . -G 5 HOH 525 1311 525 HOH HOH A . -G 5 HOH 526 1312 526 HOH HOH A . -G 5 HOH 527 1313 527 HOH HOH A . -G 5 HOH 528 1314 528 HOH HOH A . -G 5 HOH 529 1315 529 HOH HOH A . -G 5 HOH 530 1316 530 HOH HOH A . -G 5 HOH 531 1317 531 HOH HOH A . -G 5 HOH 532 1318 532 HOH HOH A . -G 5 HOH 533 1319 533 HOH HOH A . -G 5 HOH 534 1320 534 HOH HOH A . -G 5 HOH 535 1321 535 HOH HOH A . -G 5 HOH 536 1322 536 HOH HOH A . -# -_pdbx_struct_assembly.id 1 -_pdbx_struct_assembly.details author_defined_assembly -_pdbx_struct_assembly.method_details ? -_pdbx_struct_assembly.oligomeric_details monomeric -_pdbx_struct_assembly.oligomeric_count 1 -# -_pdbx_struct_assembly_gen.assembly_id 1 -_pdbx_struct_assembly_gen.oper_expression 1 -_pdbx_struct_assembly_gen.asym_id_list A,B,C,D,E,F,G -# -_pdbx_struct_oper_list.id 1 -_pdbx_struct_oper_list.type 'identity operation' -_pdbx_struct_oper_list.name 1_555 -_pdbx_struct_oper_list.symmetry_operation x,y,z -_pdbx_struct_oper_list.matrix[1][1] 1.0000000000 -_pdbx_struct_oper_list.matrix[1][2] 0.0000000000 -_pdbx_struct_oper_list.matrix[1][3] 0.0000000000 -_pdbx_struct_oper_list.vector[1] 0.0000000000 -_pdbx_struct_oper_list.matrix[2][1] 0.0000000000 -_pdbx_struct_oper_list.matrix[2][2] 1.0000000000 -_pdbx_struct_oper_list.matrix[2][3] 0.0000000000 -_pdbx_struct_oper_list.vector[2] 0.0000000000 -_pdbx_struct_oper_list.matrix[3][1] 0.0000000000 -_pdbx_struct_oper_list.matrix[3][2] 0.0000000000 -_pdbx_struct_oper_list.matrix[3][3] 1.0000000000 -_pdbx_struct_oper_list.vector[3] 0.0000000000 -# -loop_ -_pdbx_struct_conn_angle.id -_pdbx_struct_conn_angle.ptnr1_label_atom_id -_pdbx_struct_conn_angle.ptnr1_label_alt_id -_pdbx_struct_conn_angle.ptnr1_label_asym_id -_pdbx_struct_conn_angle.ptnr1_label_comp_id -_pdbx_struct_conn_angle.ptnr1_label_seq_id -_pdbx_struct_conn_angle.ptnr1_auth_atom_id -_pdbx_struct_conn_angle.ptnr1_auth_asym_id -_pdbx_struct_conn_angle.ptnr1_auth_comp_id -_pdbx_struct_conn_angle.ptnr1_auth_seq_id -_pdbx_struct_conn_angle.ptnr1_PDB_ins_code -_pdbx_struct_conn_angle.ptnr1_symmetry -_pdbx_struct_conn_angle.ptnr2_label_atom_id -_pdbx_struct_conn_angle.ptnr2_label_alt_id -_pdbx_struct_conn_angle.ptnr2_label_asym_id -_pdbx_struct_conn_angle.ptnr2_label_comp_id -_pdbx_struct_conn_angle.ptnr2_label_seq_id -_pdbx_struct_conn_angle.ptnr2_auth_atom_id -_pdbx_struct_conn_angle.ptnr2_auth_asym_id -_pdbx_struct_conn_angle.ptnr2_auth_comp_id -_pdbx_struct_conn_angle.ptnr2_auth_seq_id -_pdbx_struct_conn_angle.ptnr2_PDB_ins_code -_pdbx_struct_conn_angle.ptnr2_symmetry -_pdbx_struct_conn_angle.ptnr3_label_atom_id -_pdbx_struct_conn_angle.ptnr3_label_alt_id -_pdbx_struct_conn_angle.ptnr3_label_asym_id -_pdbx_struct_conn_angle.ptnr3_label_comp_id -_pdbx_struct_conn_angle.ptnr3_label_seq_id -_pdbx_struct_conn_angle.ptnr3_auth_atom_id -_pdbx_struct_conn_angle.ptnr3_auth_asym_id -_pdbx_struct_conn_angle.ptnr3_auth_comp_id -_pdbx_struct_conn_angle.ptnr3_auth_seq_id -_pdbx_struct_conn_angle.ptnr3_PDB_ins_code -_pdbx_struct_conn_angle.ptnr3_symmetry -_pdbx_struct_conn_angle.value -_pdbx_struct_conn_angle.value_esd -1 OG ? A SER 189 ? A SER 147 ? 1_555 MO ? D 6MO . ? A 6MO 784 ? 1_555 S12 ? B PGD . ? A PGD 782 ? 1_555 125.8 ? -2 OG ? A SER 189 ? A SER 147 ? 1_555 MO ? D 6MO . ? A 6MO 784 ? 1_555 S13 ? B PGD . ? A PGD 782 ? 1_555 90.2 ? -3 S12 ? B PGD . ? A PGD 782 ? 1_555 MO ? D 6MO . ? A 6MO 784 ? 1_555 S13 ? B PGD . ? A PGD 782 ? 1_555 77.4 ? -4 OG ? A SER 189 ? A SER 147 ? 1_555 MO ? D 6MO . ? A 6MO 784 ? 1_555 S12 ? C PGD . ? A PGD 783 ? 1_555 76.0 ? -5 S12 ? B PGD . ? A PGD 782 ? 1_555 MO ? D 6MO . ? A 6MO 784 ? 1_555 S12 ? C PGD . ? A PGD 783 ? 1_555 151.3 ? -6 S13 ? B PGD . ? A PGD 782 ? 1_555 MO ? D 6MO . ? A 6MO 784 ? 1_555 S12 ? C PGD . ? A PGD 783 ? 1_555 84.9 ? -7 OG ? A SER 189 ? A SER 147 ? 1_555 MO ? D 6MO . ? A 6MO 784 ? 1_555 S13 ? C PGD . ? A PGD 783 ? 1_555 142.6 ? -8 S12 ? B PGD . ? A PGD 782 ? 1_555 MO ? D 6MO . ? A 6MO 784 ? 1_555 S13 ? C PGD . ? A PGD 783 ? 1_555 90.3 ? -9 S13 ? B PGD . ? A PGD 782 ? 1_555 MO ? D 6MO . ? A 6MO 784 ? 1_555 S13 ? C PGD . ? A PGD 783 ? 1_555 109.2 ? -10 S12 ? C PGD . ? A PGD 783 ? 1_555 MO ? D 6MO . ? A 6MO 784 ? 1_555 S13 ? C PGD . ? A PGD 783 ? 1_555 74.3 ? -11 OG ? A SER 189 ? A SER 147 ? 1_555 MO ? D 6MO . ? A 6MO 784 ? 1_555 O ? E O . ? A O 785 ? 1_555 77.0 ? -12 S12 ? B PGD . ? A PGD 782 ? 1_555 MO ? D 6MO . ? A 6MO 784 ? 1_555 O ? E O . ? A O 785 ? 1_555 49.1 ? -13 S13 ? B PGD . ? A PGD 782 ? 1_555 MO ? D 6MO . ? A 6MO 784 ? 1_555 O ? E O . ? A O 785 ? 1_555 80.1 ? -14 S12 ? C PGD . ? A PGD 783 ? 1_555 MO ? D 6MO . ? A 6MO 784 ? 1_555 O ? E O . ? A O 785 ? 1_555 149.0 ? -15 S13 ? C PGD . ? A PGD 783 ? 1_555 MO ? D 6MO . ? A 6MO 784 ? 1_555 O ? E O . ? A O 785 ? 1_555 136.4 ? -16 OG ? A SER 189 ? A SER 147 ? 1_555 MO ? D 6MO . ? A 6MO 784 ? 1_555 O ? F O . ? A O 786 ? 1_555 92.7 ? -17 S12 ? B PGD . ? A PGD 782 ? 1_555 MO ? D 6MO . ? A 6MO 784 ? 1_555 O ? F O . ? A O 786 ? 1_555 75.3 ? -18 S13 ? B PGD . ? A PGD 782 ? 1_555 MO ? D 6MO . ? A 6MO 784 ? 1_555 O ? F O . ? A O 786 ? 1_555 148.1 ? -19 S12 ? C PGD . ? A PGD 783 ? 1_555 MO ? D 6MO . ? A 6MO 784 ? 1_555 O ? F O . ? A O 786 ? 1_555 126.5 ? -20 S13 ? C PGD . ? A PGD 783 ? 1_555 MO ? D 6MO . ? A 6MO 784 ? 1_555 O ? F O . ? A O 786 ? 1_555 87.0 ? -21 O ? E O . ? A O 785 ? 1_555 MO ? D 6MO . ? A 6MO 784 ? 1_555 O ? F O . ? A O 786 ? 1_555 69.7 ? -# -loop_ -_pdbx_audit_revision_history.ordinal -_pdbx_audit_revision_history.data_content_type -_pdbx_audit_revision_history.major_revision -_pdbx_audit_revision_history.minor_revision -_pdbx_audit_revision_history.revision_date -1 'Structure model' 1 0 1998-03-18 -2 'Structure model' 1 1 2008-03-03 -3 'Structure model' 1 2 2011-07-13 -4 'Structure model' 1 3 2022-12-21 -# -_pdbx_audit_revision_details.ordinal 1 -_pdbx_audit_revision_details.revision_ordinal 1 -_pdbx_audit_revision_details.data_content_type 'Structure model' -_pdbx_audit_revision_details.provider repository -_pdbx_audit_revision_details.type 'Initial release' -_pdbx_audit_revision_details.description ? -_pdbx_audit_revision_details.details ? -# -loop_ -_pdbx_audit_revision_group.ordinal -_pdbx_audit_revision_group.revision_ordinal -_pdbx_audit_revision_group.data_content_type -_pdbx_audit_revision_group.group -1 2 'Structure model' 'Version format compliance' -2 3 'Structure model' 'Version format compliance' -3 4 'Structure model' 'Database references' -4 4 'Structure model' 'Derived calculations' -5 4 'Structure model' Other -# -loop_ -_pdbx_audit_revision_category.ordinal -_pdbx_audit_revision_category.revision_ordinal -_pdbx_audit_revision_category.data_content_type -_pdbx_audit_revision_category.category -1 4 'Structure model' database_2 -2 4 'Structure model' pdbx_database_status -3 4 'Structure model' pdbx_struct_conn_angle -4 4 'Structure model' struct_conn -5 4 'Structure model' struct_conn_type -6 4 'Structure model' struct_ref_seq_dif -7 4 'Structure model' struct_site -# -loop_ -_pdbx_audit_revision_item.ordinal -_pdbx_audit_revision_item.revision_ordinal -_pdbx_audit_revision_item.data_content_type -_pdbx_audit_revision_item.item -1 4 'Structure model' '_database_2.pdbx_DOI' -2 4 'Structure model' '_database_2.pdbx_database_accession' -3 4 'Structure model' '_pdbx_database_status.process_site' -4 4 'Structure model' '_pdbx_struct_conn_angle.ptnr1_auth_comp_id' -5 4 'Structure model' '_pdbx_struct_conn_angle.ptnr1_auth_seq_id' -6 4 'Structure model' '_pdbx_struct_conn_angle.ptnr1_label_asym_id' -7 4 'Structure model' '_pdbx_struct_conn_angle.ptnr1_label_atom_id' -8 4 'Structure model' '_pdbx_struct_conn_angle.ptnr1_label_comp_id' -9 4 'Structure model' '_pdbx_struct_conn_angle.ptnr1_label_seq_id' -10 4 'Structure model' '_pdbx_struct_conn_angle.ptnr3_auth_comp_id' -11 4 'Structure model' '_pdbx_struct_conn_angle.ptnr3_auth_seq_id' -12 4 'Structure model' '_pdbx_struct_conn_angle.ptnr3_label_asym_id' -13 4 'Structure model' '_pdbx_struct_conn_angle.ptnr3_label_atom_id' -14 4 'Structure model' '_pdbx_struct_conn_angle.ptnr3_label_comp_id' -15 4 'Structure model' '_pdbx_struct_conn_angle.ptnr3_label_seq_id' -16 4 'Structure model' '_pdbx_struct_conn_angle.value' -17 4 'Structure model' '_struct_conn.conn_type_id' -18 4 'Structure model' '_struct_conn.id' -19 4 'Structure model' '_struct_conn.pdbx_dist_value' -20 4 'Structure model' '_struct_conn.pdbx_leaving_atom_flag' -21 4 'Structure model' '_struct_conn.ptnr1_auth_comp_id' -22 4 'Structure model' '_struct_conn.ptnr1_auth_seq_id' -23 4 'Structure model' '_struct_conn.ptnr1_label_asym_id' -24 4 'Structure model' '_struct_conn.ptnr1_label_atom_id' -25 4 'Structure model' '_struct_conn.ptnr1_label_comp_id' -26 4 'Structure model' '_struct_conn.ptnr1_label_seq_id' -27 4 'Structure model' '_struct_conn.ptnr2_auth_comp_id' -28 4 'Structure model' '_struct_conn.ptnr2_auth_seq_id' -29 4 'Structure model' '_struct_conn.ptnr2_label_asym_id' -30 4 'Structure model' '_struct_conn.ptnr2_label_atom_id' -31 4 'Structure model' '_struct_conn.ptnr2_label_comp_id' -32 4 'Structure model' '_struct_conn.ptnr2_label_seq_id' -33 4 'Structure model' '_struct_conn_type.id' -34 4 'Structure model' '_struct_ref_seq_dif.details' -35 4 'Structure model' '_struct_site.pdbx_auth_asym_id' -36 4 'Structure model' '_struct_site.pdbx_auth_comp_id' -37 4 'Structure model' '_struct_site.pdbx_auth_seq_id' -# -loop_ -_software.name -_software.classification -_software.version -_software.citation_id -_software.pdbx_ordinal -CCP4 'model building' . ? 1 -REFMAC refinement . ? 2 -MOSFLM 'data reduction' . ? 3 -CCP4 'data scaling' . ? 4 -CCP4 phasing . ? 5 -# -loop_ -_pdbx_validate_close_contact.id -_pdbx_validate_close_contact.PDB_model_num -_pdbx_validate_close_contact.auth_atom_id_1 -_pdbx_validate_close_contact.auth_asym_id_1 -_pdbx_validate_close_contact.auth_comp_id_1 -_pdbx_validate_close_contact.auth_seq_id_1 -_pdbx_validate_close_contact.PDB_ins_code_1 -_pdbx_validate_close_contact.label_alt_id_1 -_pdbx_validate_close_contact.auth_atom_id_2 -_pdbx_validate_close_contact.auth_asym_id_2 -_pdbx_validate_close_contact.auth_comp_id_2 -_pdbx_validate_close_contact.auth_seq_id_2 -_pdbx_validate_close_contact.PDB_ins_code_2 -_pdbx_validate_close_contact.label_alt_id_2 -_pdbx_validate_close_contact.dist -1 1 OE1 A GLU 63 ? ? O A HOH 847 ? ? 1.25 -2 1 O A O 785 ? ? O A O 786 ? ? 1.93 -3 1 OE2 A GLU 63 ? ? O A HOH 1066 ? ? 2.16 -4 1 OG A SER 147 ? ? O A O 785 ? ? 2.17 -# -loop_ -_pdbx_validate_symm_contact.id -_pdbx_validate_symm_contact.PDB_model_num -_pdbx_validate_symm_contact.auth_atom_id_1 -_pdbx_validate_symm_contact.auth_asym_id_1 -_pdbx_validate_symm_contact.auth_comp_id_1 -_pdbx_validate_symm_contact.auth_seq_id_1 -_pdbx_validate_symm_contact.PDB_ins_code_1 -_pdbx_validate_symm_contact.label_alt_id_1 -_pdbx_validate_symm_contact.site_symmetry_1 -_pdbx_validate_symm_contact.auth_atom_id_2 -_pdbx_validate_symm_contact.auth_asym_id_2 -_pdbx_validate_symm_contact.auth_comp_id_2 -_pdbx_validate_symm_contact.auth_seq_id_2 -_pdbx_validate_symm_contact.PDB_ins_code_2 -_pdbx_validate_symm_contact.label_alt_id_2 -_pdbx_validate_symm_contact.site_symmetry_2 -_pdbx_validate_symm_contact.dist -1 1 CG2 A THR 418 ? ? 1_555 O A HOH 1307 ? ? 5_445 1.93 -2 1 NZ A LYS 634 ? ? 1_555 O A HOH 1232 ? ? 3_555 1.95 -3 1 CG A GLU 229 ? ? 1_555 O A HOH 1276 ? ? 5_455 2.13 -# -loop_ -_pdbx_validate_rmsd_angle.id -_pdbx_validate_rmsd_angle.PDB_model_num -_pdbx_validate_rmsd_angle.auth_atom_id_1 -_pdbx_validate_rmsd_angle.auth_asym_id_1 -_pdbx_validate_rmsd_angle.auth_comp_id_1 -_pdbx_validate_rmsd_angle.auth_seq_id_1 -_pdbx_validate_rmsd_angle.PDB_ins_code_1 -_pdbx_validate_rmsd_angle.label_alt_id_1 -_pdbx_validate_rmsd_angle.auth_atom_id_2 -_pdbx_validate_rmsd_angle.auth_asym_id_2 -_pdbx_validate_rmsd_angle.auth_comp_id_2 -_pdbx_validate_rmsd_angle.auth_seq_id_2 -_pdbx_validate_rmsd_angle.PDB_ins_code_2 -_pdbx_validate_rmsd_angle.label_alt_id_2 -_pdbx_validate_rmsd_angle.auth_atom_id_3 -_pdbx_validate_rmsd_angle.auth_asym_id_3 -_pdbx_validate_rmsd_angle.auth_comp_id_3 -_pdbx_validate_rmsd_angle.auth_seq_id_3 -_pdbx_validate_rmsd_angle.PDB_ins_code_3 -_pdbx_validate_rmsd_angle.label_alt_id_3 -_pdbx_validate_rmsd_angle.angle_value -_pdbx_validate_rmsd_angle.angle_target_value -_pdbx_validate_rmsd_angle.angle_deviation -_pdbx_validate_rmsd_angle.angle_standard_deviation -_pdbx_validate_rmsd_angle.linker_flag -1 1 O A GLY 380 ? ? C A GLY 380 ? ? N A ALA 381 ? ? 112.11 122.70 -10.59 1.60 Y -2 1 C A THR 383 ? ? N A LYS 384 ? ? CA A LYS 384 ? ? 138.97 121.70 17.27 2.50 Y -3 1 NE A ARG 442 ? ? CZ A ARG 442 ? ? NH2 A ARG 442 ? ? 116.75 120.30 -3.55 0.50 N -4 1 CD A ARG 693 ? ? NE A ARG 693 ? ? CZ A ARG 693 ? ? 162.27 123.60 38.67 1.40 N -5 1 NH1 A ARG 693 ? ? CZ A ARG 693 ? ? NH2 A ARG 693 ? ? 126.52 119.40 7.12 1.10 N -6 1 NE A ARG 693 ? ? CZ A ARG 693 ? ? NH1 A ARG 693 ? ? 113.94 120.30 -6.36 0.50 N -# -loop_ -_pdbx_validate_torsion.id -_pdbx_validate_torsion.PDB_model_num -_pdbx_validate_torsion.auth_comp_id -_pdbx_validate_torsion.auth_asym_id -_pdbx_validate_torsion.auth_seq_id -_pdbx_validate_torsion.PDB_ins_code -_pdbx_validate_torsion.label_alt_id -_pdbx_validate_torsion.phi -_pdbx_validate_torsion.psi -1 1 HIS A 37 ? ? -160.56 80.62 -2 1 LYS A 117 ? ? 40.62 -138.32 -3 1 GLU A 163 ? ? 72.74 -43.21 -4 1 GLN A 241 ? ? 81.19 11.77 -5 1 ARG A 326 ? ? -93.80 49.55 -6 1 SER A 357 ? ? -140.04 30.17 -7 1 THR A 383 ? ? -125.14 -116.11 -8 1 LYS A 384 ? ? 138.47 80.51 -9 1 LEU A 389 ? ? -170.77 148.47 -10 1 ALA A 390 ? ? -40.99 155.59 -11 1 ALA A 391 ? ? 88.16 137.92 -12 1 SER A 392 ? ? 73.16 -14.43 -13 1 PHE A 415 ? ? -160.98 113.17 -14 1 TYR A 506 ? ? 45.88 -129.01 -15 1 THR A 573 ? ? -103.07 -83.84 -16 1 CYS A 615 ? ? -151.59 82.37 -17 1 HIS A 649 ? ? 56.94 -118.68 -# -loop_ -_pdbx_unobs_or_zero_occ_residues.id -_pdbx_unobs_or_zero_occ_residues.PDB_model_num -_pdbx_unobs_or_zero_occ_residues.polymer_flag -_pdbx_unobs_or_zero_occ_residues.occupancy_flag -_pdbx_unobs_or_zero_occ_residues.auth_asym_id -_pdbx_unobs_or_zero_occ_residues.auth_comp_id -_pdbx_unobs_or_zero_occ_residues.auth_seq_id -_pdbx_unobs_or_zero_occ_residues.PDB_ins_code -_pdbx_unobs_or_zero_occ_residues.label_asym_id -_pdbx_unobs_or_zero_occ_residues.label_comp_id -_pdbx_unobs_or_zero_occ_residues.label_seq_id -1 1 Y 1 A MET -41 ? A MET 1 -2 1 Y 1 A THR -40 ? A THR 2 -3 1 Y 1 A LYS -39 ? A LYS 3 -4 1 Y 1 A PHE -38 ? A PHE 4 -5 1 Y 1 A SER -37 ? A SER 5 -6 1 Y 1 A GLY -36 ? A GLY 6 -7 1 Y 1 A ASN -35 ? A ASN 7 -8 1 Y 1 A GLU -34 ? A GLU 8 -9 1 Y 1 A LEU -33 ? A LEU 9 -10 1 Y 1 A ARG -32 ? A ARG 10 -11 1 Y 1 A ALA -31 ? A ALA 11 -12 1 Y 1 A GLU -30 ? A GLU 12 -13 1 Y 1 A LEU -29 ? A LEU 13 -14 1 Y 1 A TYR -28 ? A TYR 14 -15 1 Y 1 A ARG -27 ? A ARG 15 -16 1 Y 1 A ARG -26 ? A ARG 16 -17 1 Y 1 A ALA -25 ? A ALA 17 -18 1 Y 1 A PHE -24 ? A PHE 18 -19 1 Y 1 A LEU -23 ? A LEU 19 -20 1 Y 1 A SER -22 ? A SER 20 -21 1 Y 1 A TYR -21 ? A TYR 21 -22 1 Y 1 A SER -20 ? A SER 22 -23 1 Y 1 A VAL -19 ? A VAL 23 -24 1 Y 1 A ALA -18 ? A ALA 24 -25 1 Y 1 A PRO -17 ? A PRO 25 -26 1 Y 1 A GLY -16 ? A GLY 26 -27 1 Y 1 A ALA -15 ? A ALA 27 -28 1 Y 1 A LEU -14 ? A LEU 28 -29 1 Y 1 A GLY -13 ? A GLY 29 -30 1 Y 1 A MET -12 ? A MET 30 -31 1 Y 1 A PHE -11 ? A PHE 31 -32 1 Y 1 A GLY -10 ? A GLY 32 -33 1 Y 1 A ARG -9 ? A ARG 33 -34 1 Y 1 A SER -8 ? A SER 34 -35 1 Y 1 A LEU -7 ? A LEU 35 -36 1 Y 1 A LEU -6 ? A LEU 36 -37 1 Y 1 A ALA -5 ? A ALA 37 -38 1 Y 1 A LYS -4 ? A LYS 38 -39 1 Y 1 A GLY -3 ? A GLY 39 -40 1 Y 1 A ALA -2 ? A ALA 40 -41 1 Y 1 A ARG -1 ? A ARG 41 -42 1 Y 1 A ALA 0 ? A ALA 42 -43 1 Y 1 A GLU 1 ? A GLU 43 -44 1 Y 1 A ALA 2 ? A ALA 44 -45 1 Y 0 A ALA 381 ? A ALA 423 -46 1 Y 0 A ALA 382 ? A ALA 424 -47 1 Y 0 A THR 383 ? A THR 425 -48 1 Y 0 A LYS 384 ? A LYS 426 -49 1 Y 0 A GLY 385 ? A GLY 427 -50 1 Y 0 A PRO 386 ? A PRO 428 -51 1 Y 0 A GLU 387 ? A GLU 429 -52 1 Y 0 A TRP 388 ? A TRP 430 -53 1 Y 0 A LEU 389 ? A LEU 431 -54 1 Y 0 A ALA 390 ? A ALA 432 -55 1 Y 0 A ALA 391 ? A ALA 433 -56 1 Y 0 A SER 392 ? A SER 434 -57 1 Y 0 A GLY 393 ? A GLY 435 -# -loop_ -_pdbx_entity_nonpoly.entity_id -_pdbx_entity_nonpoly.name -_pdbx_entity_nonpoly.comp_id -2 '2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE' PGD -3 'MOLYBDENUM(VI) ION' 6MO -4 'OXYGEN ATOM' O -5 water HOH -# diff --git a/tests/test_data/ww/pdb_00005a7w/5a7w-assembly.cif b/tests/test_data/ww/pdb_00005a7w/5a7w-assembly.cif deleted file mode 100644 index 332aebb7..00000000 --- a/tests/test_data/ww/pdb_00005a7w/5a7w-assembly.cif +++ /dev/null @@ -1,8937 +0,0 @@ -data_5A7W -# -_entry.id 5A7W -# -_audit_conform.dict_name mmcif_pdbx.dic -_audit_conform.dict_version 5.287 -_audit_conform.dict_location http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic -# -loop_ -_database_2.database_id -_database_2.database_code -PDB 5A7W -PDBE EBI-64335 -WWPDB D_1290064335 -# -loop_ -_pdbx_database_related.db_name -_pdbx_database_related.db_id -_pdbx_database_related.content_type -_pdbx_database_related.details -PDB 5A7N unspecified 'CRYSTAL STRUCTURE OF HUMAN JMJD2A IN COMPLEX WITH COMPOUND 43' -PDB 5A7O unspecified 'CRYSTAL STRUCTURE OF HUMAN JMJD2A IN COMPLEX WITH COMPOUND 42' -PDB 5A7P unspecified 'CRYSTAL STRUCTURE OF HUMAN JMJD2A IN COMPLEX WITH COMPOUND 36' -PDB 5A7Q unspecified 'CRYSTAL STRUCTURE OF HUMAN JMJD2A IN COMPLEX WITH COMPOUND 30' -PDB 5A7S unspecified 'CRYSTAL STRUCTURE OF HUMAN JMJD2A IN COMPLEX WITH COMPOUND 44' -PDB 5A80 unspecified 'CRYSTAL STRUCTURE OF HUMAN JMJD2A IN COMPLEX WITH COMPOUND 40' -# -_pdbx_database_status.status_code REL -_pdbx_database_status.entry_id 5A7W -_pdbx_database_status.deposit_site PDBE -_pdbx_database_status.process_site PDBE -_pdbx_database_status.SG_entry . -_pdbx_database_status.recvd_initial_deposition_date 2015-07-10 -_pdbx_database_status.pdb_format_compatible Y -_pdbx_database_status.status_code_sf ? -_pdbx_database_status.status_code_mr ? -_pdbx_database_status.status_code_cs ? -_pdbx_database_status.methods_development_category ? -# -loop_ -_audit_author.name -_audit_author.pdbx_ordinal -'Nowak, R.' 1 -'Velupillai, S.' 2 -'Krojer, T.' 3 -'Gileadi, C.' 4 -'Johansson, C.' 5 -'Korczynska, M.' 6 -'Le, D.D.' 7 -'Younger, N.' 8 -'Gregori-Puigjane, E.' 9 -'Tumber, A.' 10 -'Iwasa, E.' 11 -'Pollock, S.B.' 12 -'Ortiz Torres, I.' 13 -'Kopec, J.' 14 -'Tallant, C.' 15 -'Froese, S.' 16 -'von Delft, F.' 17 -'Arrowsmith, C.H.' 18 -'Bountra, C.' 19 -'Edwards, A.' 20 -'Shoichet, B.K.' 21 -'Fujimori, D.G.' 22 -'Oppermann, U.' 23 -# -_citation.id primary -_citation.title 'Docking and Linking of Fragments to Discover Jumonji Histone Demethylase Inhibitors.' -_citation.journal_abbrev J.Med.Chem. -_citation.journal_volume 59 -_citation.page_first 1580 -_citation.page_last ? -_citation.year 2016 -_citation.journal_id_ASTM JMCMAR -_citation.country US -_citation.journal_id_ISSN 0022-2623 -_citation.journal_id_CSD 0151 -_citation.book_publisher ? -_citation.pdbx_database_id_PubMed 26699912 -_citation.pdbx_database_id_DOI 10.1021/ACS.JMEDCHEM.5B01527 -# -loop_ -_citation_author.citation_id -_citation_author.name -_citation_author.ordinal -primary 'Korczynska, M.' 1 -primary 'Le, D.D.' 2 -primary 'Younger, N.' 3 -primary 'Gregori-Puigjane, E.' 4 -primary 'Tumber, A.' 5 -primary 'Krojer, T.' 6 -primary 'Velupillai, S.' 7 -primary 'Gileadi, C.' 8 -primary 'Nowak, R.P.' 9 -primary 'Iwasa, E.' 10 -primary 'Pollock, S.B.' 11 -primary 'Ortiz Torres, I.' 12 -primary 'Oppermann, U.' 13 -primary 'Shoichet, B.K.' 14 -primary 'Fujimori, D.G.' 15 -# -_cell.entry_id 5A7W -_cell.length_a 101.240 -_cell.length_b 149.750 -_cell.length_c 57.340 -_cell.angle_alpha 90.00 -_cell.angle_beta 90.00 -_cell.angle_gamma 90.00 -_cell.Z_PDB 4 -_cell.pdbx_unique_axis ? -# -_symmetry.entry_id 5A7W -_symmetry.space_group_name_H-M 'P 21 21 2' -_symmetry.pdbx_full_space_group_name_H-M ? -_symmetry.cell_setting ? -_symmetry.Int_Tables_number 18 -# -loop_ -_entity.id -_entity.type -_entity.src_method -_entity.pdbx_description -_entity.formula_weight -_entity.pdbx_number_of_molecules -_entity.pdbx_ec -_entity.pdbx_mutation -_entity.pdbx_fragment -_entity.details -1 polymer man 'LYSINE-SPECIFIC DEMETHYLASE 4A' 44326.273 1 1.14.11.- ? -'RESIDUES 1-359' ? -2 polymer man 'LYSINE-SPECIFIC DEMETHYLASE 4A' 44327.258 1 1.14.11.- ? -'RESIDUES 1-359' ? -3 non-polymer syn 'SULFATE ION' 96.063 2 ? ? ? -? -4 non-polymer syn '2-[5-[(4-hydroxyphenyl)carbonylamino]-2-oxidanyl-phenyl]pyridine-4-carboxylic acid' 350.325 2 ? ? ? -? -5 non-polymer syn 'MANGANESE (II) ION' 54.938 2 ? ? ? -? -6 non-polymer syn 'ZINC ION' 65.409 2 ? ? ? -? -7 non-polymer syn 1,2-ETHANEDIOL 62.068 5 ? ? ? -? -8 non-polymer syn 'DIMETHYL SULFOXIDE' 78.133 2 ? ? ? -? -9 water nat water 18.015 75 ? ? ? -? -# -loop_ -_entity_name_com.entity_id -_entity_name_com.name -1 'JMJC DOMAIN-CONTAINING HISTONE DEMETHYLATION PROTEIN 3A, JUMONJI DOMAIN-CONTAINING PROTEIN 2A' -2 'JMJC DOMAIN-CONTAINING HISTONE DEMETHYLATION PROTEIN 3A, JUMONJI DOMAIN-CONTAINING PROTEIN 2A' -# -loop_ -_entity_poly.entity_id -_entity_poly.type -_entity_poly.nstd_linkage -_entity_poly.nstd_monomer -_entity_poly.pdbx_seq_one_letter_code -_entity_poly.pdbx_seq_one_letter_code_can -_entity_poly.pdbx_strand_id -_entity_poly.pdbx_target_identifier -1 'polypeptide(L)' no no -;MHHHHHHSSGVDLGTENLYFQSMASESETLNPSARIMTFYPTMEEFRNFSRYIAYIESQGAHRAGLAKVVPPKEWKPRAS -YDDIDDLVIPAPIQQLVTGQSGLFTQYNIQKKAMTVREFRKIANSDKYCTPRYSEFEELERKYWKNLTFNPPIYGADVNG -TLYEKHVDEWNIGRLRTILDLVEKESGITIEGVNTPYLYFGMWKTSFAWHTEDMDLYSINYLHFGEPKSWYSVPPEHGKR -LERLAKGFFPGSAQSCEAFLRHKMTLISPLMLKKYGIPFDKVTQEAGEFMITFPYGYHAGFNHGFNCAESTNFATRRWIE -YGKQAVLCSCRKDMVKISMDVFVRKFQPERYKLWKAGKDNTVIDHTLPTPEAAEFLKESEL -; -;MHHHHHHSSGVDLGTENLYFQSMASESETLNPSARIMTFYPTMEEFRNFSRYIAYIESQGAHRAGLAKVVPPKEWKPRAS -YDDIDDLVIPAPIQQLVTGQSGLFTQYNIQKKAMTVREFRKIANSDKYCTPRYSEFEELERKYWKNLTFNPPIYGADVNG -TLYEKHVDEWNIGRLRTILDLVEKESGITIEGVNTPYLYFGMWKTSFAWHTEDMDLYSINYLHFGEPKSWYSVPPEHGKR -LERLAKGFFPGSAQSCEAFLRHKMTLISPLMLKKYGIPFDKVTQEAGEFMITFPYGYHAGFNHGFNCAESTNFATRRWIE -YGKQAVLCSCRKDMVKISMDVFVRKFQPERYKLWKAGKDNTVIDHTLPTPEAAEFLKESEL -; -A ? -2 'polypeptide(L)' no no -;MHHHHHHSSGVDLGTENLYFQSMASESETLNPSARIMTFYPTMEEFRNFSRYIAYIESQGAHRAGLAKVVPPKEWKPRAS -YDDIDDLVIPAPIQQLVTGQSGLFTQYNIQKKAMTVREFRKIANSDKYCTPRYSEFEELERKYWKNLTFNPPIYGADVNG -TLYEKHVDEWNIGRLRTILDLVEKESGITIEGVNTPYLYFGMWKTSFAWHTEDMDLYSINYLHFGEPKSWYSVPPEHGKR -LERLAKGFFPGSAESCEAFLRHKMTLISPLMLKKYGIPFDKVTQEAGEFMITFPYGYHAGFNHGFNCAESTNFATRRWIE -YGKQAVLCSCRKDMVKISMDVFVRKFQPERYKLWKAGKDNTVIDHTLPTPEAAEFLKESEL -; -;MHHHHHHSSGVDLGTENLYFQSMASESETLNPSARIMTFYPTMEEFRNFSRYIAYIESQGAHRAGLAKVVPPKEWKPRAS -YDDIDDLVIPAPIQQLVTGQSGLFTQYNIQKKAMTVREFRKIANSDKYCTPRYSEFEELERKYWKNLTFNPPIYGADVNG -TLYEKHVDEWNIGRLRTILDLVEKESGITIEGVNTPYLYFGMWKTSFAWHTEDMDLYSINYLHFGEPKSWYSVPPEHGKR -LERLAKGFFPGSAESCEAFLRHKMTLISPLMLKKYGIPFDKVTQEAGEFMITFPYGYHAGFNHGFNCAESTNFATRRWIE -YGKQAVLCSCRKDMVKISMDVFVRKFQPERYKLWKAGKDNTVIDHTLPTPEAAEFLKESEL -; -B ? -# -loop_ -_entity_poly_seq.entity_id -_entity_poly_seq.num -_entity_poly_seq.mon_id -_entity_poly_seq.hetero -1 1 MET n -1 2 HIS n -1 3 HIS n -1 4 HIS n -1 5 HIS n -1 6 HIS n -1 7 HIS n -1 8 SER n -1 9 SER n -1 10 GLY n -1 11 VAL n -1 12 ASP n -1 13 LEU n -1 14 GLY n -1 15 THR n -1 16 GLU n -1 17 ASN n -1 18 LEU n -1 19 TYR n -1 20 PHE n -1 21 GLN n -1 22 SER n -1 23 MET n -1 24 ALA n -1 25 SER n -1 26 GLU n -1 27 SER n -1 28 GLU n -1 29 THR n -1 30 LEU n -1 31 ASN n -1 32 PRO n -1 33 SER n -1 34 ALA n -1 35 ARG n -1 36 ILE n -1 37 MET n -1 38 THR n -1 39 PHE n -1 40 TYR n -1 41 PRO n -1 42 THR n -1 43 MET n -1 44 GLU n -1 45 GLU n -1 46 PHE n -1 47 ARG n -1 48 ASN n -1 49 PHE n -1 50 SER n -1 51 ARG n -1 52 TYR n -1 53 ILE n -1 54 ALA n -1 55 TYR n -1 56 ILE n -1 57 GLU n -1 58 SER n -1 59 GLN n -1 60 GLY n -1 61 ALA n -1 62 HIS n -1 63 ARG n -1 64 ALA n -1 65 GLY n -1 66 LEU n -1 67 ALA n -1 68 LYS n -1 69 VAL n -1 70 VAL n -1 71 PRO n -1 72 PRO n -1 73 LYS n -1 74 GLU n -1 75 TRP n -1 76 LYS n -1 77 PRO n -1 78 ARG n -1 79 ALA n -1 80 SER n -1 81 TYR n -1 82 ASP n -1 83 ASP n -1 84 ILE n -1 85 ASP n -1 86 ASP n -1 87 LEU n -1 88 VAL n -1 89 ILE n -1 90 PRO n -1 91 ALA n -1 92 PRO n -1 93 ILE n -1 94 GLN n -1 95 GLN n -1 96 LEU n -1 97 VAL n -1 98 THR n -1 99 GLY n -1 100 GLN n -1 101 SER n -1 102 GLY n -1 103 LEU n -1 104 PHE n -1 105 THR n -1 106 GLN n -1 107 TYR n -1 108 ASN n -1 109 ILE n -1 110 GLN n -1 111 LYS n -1 112 LYS n -1 113 ALA n -1 114 MET n -1 115 THR n -1 116 VAL n -1 117 ARG n -1 118 GLU n -1 119 PHE n -1 120 ARG n -1 121 LYS n -1 122 ILE n -1 123 ALA n -1 124 ASN n -1 125 SER n -1 126 ASP n -1 127 LYS n -1 128 TYR n -1 129 CYS n -1 130 THR n -1 131 PRO n -1 132 ARG n -1 133 TYR n -1 134 SER n -1 135 GLU n -1 136 PHE n -1 137 GLU n -1 138 GLU n -1 139 LEU n -1 140 GLU n -1 141 ARG n -1 142 LYS n -1 143 TYR n -1 144 TRP n -1 145 LYS n -1 146 ASN n -1 147 LEU n -1 148 THR n -1 149 PHE n -1 150 ASN n -1 151 PRO n -1 152 PRO n -1 153 ILE n -1 154 TYR n -1 155 GLY n -1 156 ALA n -1 157 ASP n -1 158 VAL n -1 159 ASN n -1 160 GLY n -1 161 THR n -1 162 LEU n -1 163 TYR n -1 164 GLU n -1 165 LYS n -1 166 HIS n -1 167 VAL n -1 168 ASP n -1 169 GLU n -1 170 TRP n -1 171 ASN n -1 172 ILE n -1 173 GLY n -1 174 ARG n -1 175 LEU n -1 176 ARG n -1 177 THR n -1 178 ILE n -1 179 LEU n -1 180 ASP n -1 181 LEU n -1 182 VAL n -1 183 GLU n -1 184 LYS n -1 185 GLU n -1 186 SER n -1 187 GLY n -1 188 ILE n -1 189 THR n -1 190 ILE n -1 191 GLU n -1 192 GLY n -1 193 VAL n -1 194 ASN n -1 195 THR n -1 196 PRO n -1 197 TYR n -1 198 LEU n -1 199 TYR n -1 200 PHE n -1 201 GLY n -1 202 MET n -1 203 TRP n -1 204 LYS n -1 205 THR n -1 206 SER n -1 207 PHE n -1 208 ALA n -1 209 TRP n -1 210 HIS n -1 211 THR n -1 212 GLU n -1 213 ASP n -1 214 MET n -1 215 ASP n -1 216 LEU n -1 217 TYR n -1 218 SER n -1 219 ILE n -1 220 ASN n -1 221 TYR n -1 222 LEU n -1 223 HIS n -1 224 PHE n -1 225 GLY n -1 226 GLU n -1 227 PRO n -1 228 LYS n -1 229 SER n -1 230 TRP n -1 231 TYR n -1 232 SER n -1 233 VAL n -1 234 PRO n -1 235 PRO n -1 236 GLU n -1 237 HIS n -1 238 GLY n -1 239 LYS n -1 240 ARG n -1 241 LEU n -1 242 GLU n -1 243 ARG n -1 244 LEU n -1 245 ALA n -1 246 LYS n -1 247 GLY n -1 248 PHE n -1 249 PHE n -1 250 PRO n -1 251 GLY n -1 252 SER n -1 253 ALA n -1 254 GLN n -1 255 SER n -1 256 CYS n -1 257 GLU n -1 258 ALA n -1 259 PHE n -1 260 LEU n -1 261 ARG n -1 262 HIS n -1 263 LYS n -1 264 MET n -1 265 THR n -1 266 LEU n -1 267 ILE n -1 268 SER n -1 269 PRO n -1 270 LEU n -1 271 MET n -1 272 LEU n -1 273 LYS n -1 274 LYS n -1 275 TYR n -1 276 GLY n -1 277 ILE n -1 278 PRO n -1 279 PHE n -1 280 ASP n -1 281 LYS n -1 282 VAL n -1 283 THR n -1 284 GLN n -1 285 GLU n -1 286 ALA n -1 287 GLY n -1 288 GLU n -1 289 PHE n -1 290 MET n -1 291 ILE n -1 292 THR n -1 293 PHE n -1 294 PRO n -1 295 TYR n -1 296 GLY n -1 297 TYR n -1 298 HIS n -1 299 ALA n -1 300 GLY n -1 301 PHE n -1 302 ASN n -1 303 HIS n -1 304 GLY n -1 305 PHE n -1 306 ASN n -1 307 CYS n -1 308 ALA n -1 309 GLU n -1 310 SER n -1 311 THR n -1 312 ASN n -1 313 PHE n -1 314 ALA n -1 315 THR n -1 316 ARG n -1 317 ARG n -1 318 TRP n -1 319 ILE n -1 320 GLU n -1 321 TYR n -1 322 GLY n -1 323 LYS n -1 324 GLN n -1 325 ALA n -1 326 VAL n -1 327 LEU n -1 328 CYS n -1 329 SER n -1 330 CYS n -1 331 ARG n -1 332 LYS n -1 333 ASP n -1 334 MET n -1 335 VAL n -1 336 LYS n -1 337 ILE n -1 338 SER n -1 339 MET n -1 340 ASP n -1 341 VAL n -1 342 PHE n -1 343 VAL n -1 344 ARG n -1 345 LYS n -1 346 PHE n -1 347 GLN n -1 348 PRO n -1 349 GLU n -1 350 ARG n -1 351 TYR n -1 352 LYS n -1 353 LEU n -1 354 TRP n -1 355 LYS n -1 356 ALA n -1 357 GLY n -1 358 LYS n -1 359 ASP n -1 360 ASN n -1 361 THR n -1 362 VAL n -1 363 ILE n -1 364 ASP n -1 365 HIS n -1 366 THR n -1 367 LEU n -1 368 PRO n -1 369 THR n -1 370 PRO n -1 371 GLU n -1 372 ALA n -1 373 ALA n -1 374 GLU n -1 375 PHE n -1 376 LEU n -1 377 LYS n -1 378 GLU n -1 379 SER n -1 380 GLU n -1 381 LEU n -2 1 MET n -2 2 HIS n -2 3 HIS n -2 4 HIS n -2 5 HIS n -2 6 HIS n -2 7 HIS n -2 8 SER n -2 9 SER n -2 10 GLY n -2 11 VAL n -2 12 ASP n -2 13 LEU n -2 14 GLY n -2 15 THR n -2 16 GLU n -2 17 ASN n -2 18 LEU n -2 19 TYR n -2 20 PHE n -2 21 GLN n -2 22 SER n -2 23 MET n -2 24 ALA n -2 25 SER n -2 26 GLU n -2 27 SER n -2 28 GLU n -2 29 THR n -2 30 LEU n -2 31 ASN n -2 32 PRO n -2 33 SER n -2 34 ALA n -2 35 ARG n -2 36 ILE n -2 37 MET n -2 38 THR n -2 39 PHE n -2 40 TYR n -2 41 PRO n -2 42 THR n -2 43 MET n -2 44 GLU n -2 45 GLU n -2 46 PHE n -2 47 ARG n -2 48 ASN n -2 49 PHE n -2 50 SER n -2 51 ARG n -2 52 TYR n -2 53 ILE n -2 54 ALA n -2 55 TYR n -2 56 ILE n -2 57 GLU n -2 58 SER n -2 59 GLN n -2 60 GLY n -2 61 ALA n -2 62 HIS n -2 63 ARG n -2 64 ALA n -2 65 GLY n -2 66 LEU n -2 67 ALA n -2 68 LYS n -2 69 VAL n -2 70 VAL n -2 71 PRO n -2 72 PRO n -2 73 LYS n -2 74 GLU n -2 75 TRP n -2 76 LYS n -2 77 PRO n -2 78 ARG n -2 79 ALA n -2 80 SER n -2 81 TYR n -2 82 ASP n -2 83 ASP n -2 84 ILE n -2 85 ASP n -2 86 ASP n -2 87 LEU n -2 88 VAL n -2 89 ILE n -2 90 PRO n -2 91 ALA n -2 92 PRO n -2 93 ILE n -2 94 GLN n -2 95 GLN n -2 96 LEU n -2 97 VAL n -2 98 THR n -2 99 GLY n -2 100 GLN n -2 101 SER n -2 102 GLY n -2 103 LEU n -2 104 PHE n -2 105 THR n -2 106 GLN n -2 107 TYR n -2 108 ASN n -2 109 ILE n -2 110 GLN n -2 111 LYS n -2 112 LYS n -2 113 ALA n -2 114 MET n -2 115 THR n -2 116 VAL n -2 117 ARG n -2 118 GLU n -2 119 PHE n -2 120 ARG n -2 121 LYS n -2 122 ILE n -2 123 ALA n -2 124 ASN n -2 125 SER n -2 126 ASP n -2 127 LYS n -2 128 TYR n -2 129 CYS n -2 130 THR n -2 131 PRO n -2 132 ARG n -2 133 TYR n -2 134 SER n -2 135 GLU n -2 136 PHE n -2 137 GLU n -2 138 GLU n -2 139 LEU n -2 140 GLU n -2 141 ARG n -2 142 LYS n -2 143 TYR n -2 144 TRP n -2 145 LYS n -2 146 ASN n -2 147 LEU n -2 148 THR n -2 149 PHE n -2 150 ASN n -2 151 PRO n -2 152 PRO n -2 153 ILE n -2 154 TYR n -2 155 GLY n -2 156 ALA n -2 157 ASP n -2 158 VAL n -2 159 ASN n -2 160 GLY n -2 161 THR n -2 162 LEU n -2 163 TYR n -2 164 GLU n -2 165 LYS n -2 166 HIS n -2 167 VAL n -2 168 ASP n -2 169 GLU n -2 170 TRP n -2 171 ASN n -2 172 ILE n -2 173 GLY n -2 174 ARG n -2 175 LEU n -2 176 ARG n -2 177 THR n -2 178 ILE n -2 179 LEU n -2 180 ASP n -2 181 LEU n -2 182 VAL n -2 183 GLU n -2 184 LYS n -2 185 GLU n -2 186 SER n -2 187 GLY n -2 188 ILE n -2 189 THR n -2 190 ILE n -2 191 GLU n -2 192 GLY n -2 193 VAL n -2 194 ASN n -2 195 THR n -2 196 PRO n -2 197 TYR n -2 198 LEU n -2 199 TYR n -2 200 PHE n -2 201 GLY n -2 202 MET n -2 203 TRP n -2 204 LYS n -2 205 THR n -2 206 SER n -2 207 PHE n -2 208 ALA n -2 209 TRP n -2 210 HIS n -2 211 THR n -2 212 GLU n -2 213 ASP n -2 214 MET n -2 215 ASP n -2 216 LEU n -2 217 TYR n -2 218 SER n -2 219 ILE n -2 220 ASN n -2 221 TYR n -2 222 LEU n -2 223 HIS n -2 224 PHE n -2 225 GLY n -2 226 GLU n -2 227 PRO n -2 228 LYS n -2 229 SER n -2 230 TRP n -2 231 TYR n -2 232 SER n -2 233 VAL n -2 234 PRO n -2 235 PRO n -2 236 GLU n -2 237 HIS n -2 238 GLY n -2 239 LYS n -2 240 ARG n -2 241 LEU n -2 242 GLU n -2 243 ARG n -2 244 LEU n -2 245 ALA n -2 246 LYS n -2 247 GLY n -2 248 PHE n -2 249 PHE n -2 250 PRO n -2 251 GLY n -2 252 SER n -2 253 ALA n -2 254 GLU n -2 255 SER n -2 256 CYS n -2 257 GLU n -2 258 ALA n -2 259 PHE n -2 260 LEU n -2 261 ARG n -2 262 HIS n -2 263 LYS n -2 264 MET n -2 265 THR n -2 266 LEU n -2 267 ILE n -2 268 SER n -2 269 PRO n -2 270 LEU n -2 271 MET n -2 272 LEU n -2 273 LYS n -2 274 LYS n -2 275 TYR n -2 276 GLY n -2 277 ILE n -2 278 PRO n -2 279 PHE n -2 280 ASP n -2 281 LYS n -2 282 VAL n -2 283 THR n -2 284 GLN n -2 285 GLU n -2 286 ALA n -2 287 GLY n -2 288 GLU n -2 289 PHE n -2 290 MET n -2 291 ILE n -2 292 THR n -2 293 PHE n -2 294 PRO n -2 295 TYR n -2 296 GLY n -2 297 TYR n -2 298 HIS n -2 299 ALA n -2 300 GLY n -2 301 PHE n -2 302 ASN n -2 303 HIS n -2 304 GLY n -2 305 PHE n -2 306 ASN n -2 307 CYS n -2 308 ALA n -2 309 GLU n -2 310 SER n -2 311 THR n -2 312 ASN n -2 313 PHE n -2 314 ALA n -2 315 THR n -2 316 ARG n -2 317 ARG n -2 318 TRP n -2 319 ILE n -2 320 GLU n -2 321 TYR n -2 322 GLY n -2 323 LYS n -2 324 GLN n -2 325 ALA n -2 326 VAL n -2 327 LEU n -2 328 CYS n -2 329 SER n -2 330 CYS n -2 331 ARG n -2 332 LYS n -2 333 ASP n -2 334 MET n -2 335 VAL n -2 336 LYS n -2 337 ILE n -2 338 SER n -2 339 MET n -2 340 ASP n -2 341 VAL n -2 342 PHE n -2 343 VAL n -2 344 ARG n -2 345 LYS n -2 346 PHE n -2 347 GLN n -2 348 PRO n -2 349 GLU n -2 350 ARG n -2 351 TYR n -2 352 LYS n -2 353 LEU n -2 354 TRP n -2 355 LYS n -2 356 ALA n -2 357 GLY n -2 358 LYS n -2 359 ASP n -2 360 ASN n -2 361 THR n -2 362 VAL n -2 363 ILE n -2 364 ASP n -2 365 HIS n -2 366 THR n -2 367 LEU n -2 368 PRO n -2 369 THR n -2 370 PRO n -2 371 GLU n -2 372 ALA n -2 373 ALA n -2 374 GLU n -2 375 PHE n -2 376 LEU n -2 377 LYS n -2 378 GLU n -2 379 SER n -2 380 GLU n -2 381 LEU n -# -loop_ -_entity_src_gen.entity_id -_entity_src_gen.pdbx_src_id -_entity_src_gen.pdbx_alt_source_flag -_entity_src_gen.pdbx_seq_type -_entity_src_gen.pdbx_beg_seq_num -_entity_src_gen.pdbx_end_seq_num -_entity_src_gen.gene_src_common_name -_entity_src_gen.gene_src_genus -_entity_src_gen.pdbx_gene_src_gene -_entity_src_gen.gene_src_species -_entity_src_gen.gene_src_strain -_entity_src_gen.gene_src_tissue -_entity_src_gen.gene_src_tissue_fraction -_entity_src_gen.gene_src_details -_entity_src_gen.pdbx_gene_src_fragment -_entity_src_gen.pdbx_gene_src_scientific_name -_entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id -_entity_src_gen.pdbx_gene_src_variant -_entity_src_gen.pdbx_gene_src_cell_line -_entity_src_gen.pdbx_gene_src_atcc -_entity_src_gen.pdbx_gene_src_organ -_entity_src_gen.pdbx_gene_src_organelle -_entity_src_gen.pdbx_gene_src_cell -_entity_src_gen.pdbx_gene_src_cellular_location -_entity_src_gen.host_org_common_name -_entity_src_gen.pdbx_host_org_scientific_name -_entity_src_gen.pdbx_host_org_ncbi_taxonomy_id -_entity_src_gen.host_org_genus -_entity_src_gen.pdbx_host_org_gene -_entity_src_gen.pdbx_host_org_organ -_entity_src_gen.host_org_species -_entity_src_gen.pdbx_host_org_tissue -_entity_src_gen.pdbx_host_org_tissue_fraction -_entity_src_gen.pdbx_host_org_strain -_entity_src_gen.pdbx_host_org_variant -_entity_src_gen.pdbx_host_org_cell_line -_entity_src_gen.pdbx_host_org_atcc -_entity_src_gen.pdbx_host_org_culture_collection -_entity_src_gen.pdbx_host_org_cell -_entity_src_gen.pdbx_host_org_organelle -_entity_src_gen.pdbx_host_org_cellular_location -_entity_src_gen.pdbx_host_org_vector_type -_entity_src_gen.pdbx_host_org_vector -_entity_src_gen.host_org_details -_entity_src_gen.expression_system_id -_entity_src_gen.plasmid_name -_entity_src_gen.plasmid_details -_entity_src_gen.pdbx_description -1 1 sample ? ? ? HUMAN ? ? ? ? ? ? ? ? 'HOMO SAPIENS' 9606 ? ? ? ? ? ? ? ? 'ESCHERICHIA COLI' 469008 ? ? ? ? ? ? 'BL21(DE3)' ? ? ? -? ? ? ? ? ? ? ? PNIC28-BSA4 ? ? -2 1 sample ? ? ? HUMAN ? ? ? ? ? ? ? ? 'HOMO SAPIENS' 9606 ? ? ? ? ? ? ? ? 'ESCHERICHIA COLI' 469008 ? ? ? ? ? ? 'BL21(DE3)' ? ? ? -? ? ? ? ? ? ? ? PNIC28-BSA4 ? ? -# -loop_ -_struct_ref.id -_struct_ref.db_name -_struct_ref.db_code -_struct_ref.entity_id -_struct_ref.pdbx_seq_one_letter_code -_struct_ref.pdbx_align_begin -_struct_ref.pdbx_db_accession -_struct_ref.pdbx_db_isoform -1 UNP KDM4A_HUMAN 1 ? ? O75164 ? -2 UNP KDM4A_HUMAN 2 ? ? O75164 ? -# -loop_ -_struct_ref_seq.align_id -_struct_ref_seq.ref_id -_struct_ref_seq.pdbx_PDB_id_code -_struct_ref_seq.pdbx_strand_id -_struct_ref_seq.seq_align_beg -_struct_ref_seq.pdbx_seq_align_beg_ins_code -_struct_ref_seq.seq_align_end -_struct_ref_seq.pdbx_seq_align_end_ins_code -_struct_ref_seq.pdbx_db_accession -_struct_ref_seq.db_align_beg -_struct_ref_seq.pdbx_db_align_beg_ins_code -_struct_ref_seq.db_align_end -_struct_ref_seq.pdbx_db_align_end_ins_code -_struct_ref_seq.pdbx_auth_seq_align_beg -_struct_ref_seq.pdbx_auth_seq_align_end -1 1 5A7W A 23 ? 381 ? O75164 1 ? 359 ? 1 359 -2 2 5A7W B 23 ? 381 ? O75164 1 ? 359 ? 1 359 -# -loop_ -_struct_ref_seq_dif.align_id -_struct_ref_seq_dif.pdbx_pdb_id_code -_struct_ref_seq_dif.mon_id -_struct_ref_seq_dif.pdbx_pdb_strand_id -_struct_ref_seq_dif.seq_num -_struct_ref_seq_dif.pdbx_pdb_ins_code -_struct_ref_seq_dif.pdbx_seq_db_name -_struct_ref_seq_dif.pdbx_seq_db_accession_code -_struct_ref_seq_dif.db_mon_id -_struct_ref_seq_dif.pdbx_seq_db_seq_num -_struct_ref_seq_dif.details -_struct_ref_seq_dif.pdbx_auth_seq_num -_struct_ref_seq_dif.pdbx_ordinal -1 5A7W MET A 1 ? UNP O75164 ? ? 'expression tag' -21 1 -1 5A7W HIS A 2 ? UNP O75164 ? ? 'expression tag' -20 2 -1 5A7W HIS A 3 ? UNP O75164 ? ? 'expression tag' -19 3 -1 5A7W HIS A 4 ? UNP O75164 ? ? 'expression tag' -18 4 -1 5A7W HIS A 5 ? UNP O75164 ? ? 'expression tag' -17 5 -1 5A7W HIS A 6 ? UNP O75164 ? ? 'expression tag' -16 6 -1 5A7W HIS A 7 ? UNP O75164 ? ? 'expression tag' -15 7 -1 5A7W SER A 8 ? UNP O75164 ? ? 'expression tag' -14 8 -1 5A7W SER A 9 ? UNP O75164 ? ? 'expression tag' -13 9 -1 5A7W GLY A 10 ? UNP O75164 ? ? 'expression tag' -12 10 -1 5A7W VAL A 11 ? UNP O75164 ? ? 'expression tag' -11 11 -1 5A7W ASP A 12 ? UNP O75164 ? ? 'expression tag' -10 12 -1 5A7W LEU A 13 ? UNP O75164 ? ? 'expression tag' -9 13 -1 5A7W GLY A 14 ? UNP O75164 ? ? 'expression tag' -8 14 -1 5A7W THR A 15 ? UNP O75164 ? ? 'expression tag' -7 15 -1 5A7W GLU A 16 ? UNP O75164 ? ? 'expression tag' -6 16 -1 5A7W ASN A 17 ? UNP O75164 ? ? 'expression tag' -5 17 -1 5A7W LEU A 18 ? UNP O75164 ? ? 'expression tag' -4 18 -1 5A7W TYR A 19 ? UNP O75164 ? ? 'expression tag' -3 19 -1 5A7W PHE A 20 ? UNP O75164 ? ? 'expression tag' -2 20 -1 5A7W GLN A 21 ? UNP O75164 ? ? 'expression tag' -1 21 -1 5A7W SER A 22 ? UNP O75164 ? ? 'expression tag' 0 22 -2 5A7W MET B 1 ? UNP O75164 ? ? 'expression tag' -21 23 -2 5A7W HIS B 2 ? UNP O75164 ? ? 'expression tag' -20 24 -2 5A7W HIS B 3 ? UNP O75164 ? ? 'expression tag' -19 25 -2 5A7W HIS B 4 ? UNP O75164 ? ? 'expression tag' -18 26 -2 5A7W HIS B 5 ? UNP O75164 ? ? 'expression tag' -17 27 -2 5A7W HIS B 6 ? UNP O75164 ? ? 'expression tag' -16 28 -2 5A7W HIS B 7 ? UNP O75164 ? ? 'expression tag' -15 29 -2 5A7W SER B 8 ? UNP O75164 ? ? 'expression tag' -14 30 -2 5A7W SER B 9 ? UNP O75164 ? ? 'expression tag' -13 31 -2 5A7W GLY B 10 ? UNP O75164 ? ? 'expression tag' -12 32 -2 5A7W VAL B 11 ? UNP O75164 ? ? 'expression tag' -11 33 -2 5A7W ASP B 12 ? UNP O75164 ? ? 'expression tag' -10 34 -2 5A7W LEU B 13 ? UNP O75164 ? ? 'expression tag' -9 35 -2 5A7W GLY B 14 ? UNP O75164 ? ? 'expression tag' -8 36 -2 5A7W THR B 15 ? UNP O75164 ? ? 'expression tag' -7 37 -2 5A7W GLU B 16 ? UNP O75164 ? ? 'expression tag' -6 38 -2 5A7W ASN B 17 ? UNP O75164 ? ? 'expression tag' -5 39 -2 5A7W LEU B 18 ? UNP O75164 ? ? 'expression tag' -4 40 -2 5A7W TYR B 19 ? UNP O75164 ? ? 'expression tag' -3 41 -2 5A7W PHE B 20 ? UNP O75164 ? ? 'expression tag' -2 42 -2 5A7W GLN B 21 ? UNP O75164 ? ? 'expression tag' -1 43 -2 5A7W SER B 22 ? UNP O75164 ? ? 'expression tag' 0 44 -2 5A7W GLU B 254 ? UNP O75164 GLN 232 conflict 232 45 -# -loop_ -_chem_comp.id -_chem_comp.type -_chem_comp.mon_nstd_flag -_chem_comp.name -_chem_comp.pdbx_synonyms -_chem_comp.formula -_chem_comp.formula_weight -35M non-polymer . '2-[5-[(4-hydroxyphenyl)carbonylamino]-2-oxidanyl-phenyl]pyridine-4-carboxylic acid' ? -'C19 H14 N2 O5' 350.325 -ALA 'L-peptide linking' y ALANINE ? -'C3 H7 N O2' 89.093 -ARG 'L-peptide linking' y ARGININE ? -'C6 H15 N4 O2 1' 175.209 -ASN 'L-peptide linking' y ASPARAGINE ? -'C4 H8 N2 O3' 132.118 -ASP 'L-peptide linking' y 'ASPARTIC ACID' ? -'C4 H7 N O4' 133.103 -CYS 'L-peptide linking' y CYSTEINE ? -'C3 H7 N O2 S' 121.158 -DMS non-polymer . 'DIMETHYL SULFOXIDE' ? -'C2 H6 O S' 78.133 -EDO non-polymer . 1,2-ETHANEDIOL 'ETHYLENE GLYCOL' -'C2 H6 O2' 62.068 -GLN 'L-peptide linking' y GLUTAMINE ? -'C5 H10 N2 O3' 146.144 -GLU 'L-peptide linking' y 'GLUTAMIC ACID' ? -'C5 H9 N O4' 147.129 -GLY 'peptide linking' y GLYCINE ? -'C2 H5 N O2' 75.067 -HIS 'L-peptide linking' y HISTIDINE ? -'C6 H10 N3 O2 1' 156.162 -HOH non-polymer . WATER ? -'H2 O' 18.015 -ILE 'L-peptide linking' y ISOLEUCINE ? -'C6 H13 N O2' 131.173 -LEU 'L-peptide linking' y LEUCINE ? -'C6 H13 N O2' 131.173 -LYS 'L-peptide linking' y LYSINE ? -'C6 H15 N2 O2 1' 147.195 -MET 'L-peptide linking' y METHIONINE ? -'C5 H11 N O2 S' 149.211 -MN non-polymer . 'MANGANESE (II) ION' ? -'Mn 2' 54.938 -PHE 'L-peptide linking' y PHENYLALANINE ? -'C9 H11 N O2' 165.189 -PRO 'L-peptide linking' y PROLINE ? -'C5 H9 N O2' 115.130 -SER 'L-peptide linking' y SERINE ? -'C3 H7 N O3' 105.093 -SO4 non-polymer . 'SULFATE ION' ? -'O4 S -2' 96.063 -THR 'L-peptide linking' y THREONINE ? -'C4 H9 N O3' 119.119 -TRP 'L-peptide linking' y TRYPTOPHAN ? -'C11 H12 N2 O2' 204.225 -TYR 'L-peptide linking' y TYROSINE ? -'C9 H11 N O3' 181.189 -VAL 'L-peptide linking' y VALINE ? -'C5 H11 N O2' 117.146 -ZN non-polymer . 'ZINC ION' ? -'Zn 2' 65.409 -# -_exptl.entry_id 5A7W -_exptl.method 'X-RAY DIFFRACTION' -_exptl.crystals_number 1 -# -_exptl_crystal.id 1 -_exptl_crystal.density_meas ? -_exptl_crystal.density_Matthews 2.69 -_exptl_crystal.density_percent_sol 54.37 -_exptl_crystal.description NONE -_exptl_crystal.preparation ? -# -_exptl_crystal_grow.crystal_id 1 -_exptl_crystal_grow.method ? -_exptl_crystal_grow.temp ? -_exptl_crystal_grow.temp_details ? -_exptl_crystal_grow.pH 6.0 -_exptl_crystal_grow.pdbx_pH_range ? -_exptl_crystal_grow.pdbx_details '30% PEG3350 -- 0.1M BIS-TRIS PH 6.0 -- 0.25M AMMONIUM SULFATE' -# -_diffrn.id 1 -_diffrn.ambient_temp 100 -_diffrn.ambient_temp_details ? -_diffrn.crystal_id 1 -# -_diffrn_detector.diffrn_id 1 -_diffrn_detector.detector PIXEL -_diffrn_detector.type 'DECTRIS PILATUS 6M' -_diffrn_detector.pdbx_collection_date 2014-02-19 -_diffrn_detector.details ? -# -_diffrn_radiation.diffrn_id 1 -_diffrn_radiation.wavelength_id 1 -_diffrn_radiation.pdbx_monochromatic_or_laue_m_l M -_diffrn_radiation.monochromator ? -_diffrn_radiation.pdbx_diffrn_protocol 'SINGLE WAVELENGTH' -_diffrn_radiation.pdbx_scattering_type x-ray -# -_diffrn_radiation_wavelength.id 1 -_diffrn_radiation_wavelength.wavelength 0.97949 -_diffrn_radiation_wavelength.wt 1.0 -# -_diffrn_source.diffrn_id 1 -_diffrn_source.source SYNCHROTRON -_diffrn_source.type 'DIAMOND BEAMLINE I02' -_diffrn_source.pdbx_synchrotron_site Diamond -_diffrn_source.pdbx_synchrotron_beamline I02 -_diffrn_source.pdbx_wavelength 0.97949 -_diffrn_source.pdbx_wavelength_list ? -# -_reflns.pdbx_diffrn_id 1 -_reflns.pdbx_ordinal 1 -_reflns.entry_id 5A7W -_reflns.observed_criterion_sigma_I 2.0 -_reflns.observed_criterion_sigma_F ? -_reflns.d_resolution_low 49.92 -_reflns.d_resolution_high 2.27 -_reflns.number_obs 40875 -_reflns.number_all ? -_reflns.percent_possible_obs 99.4 -_reflns.pdbx_Rmerge_I_obs 0.10 -_reflns.pdbx_Rsym_value ? -_reflns.pdbx_netI_over_sigmaI 9.50 -_reflns.B_iso_Wilson_estimate ? -_reflns.pdbx_redundancy 4.7 -# -_reflns_shell.pdbx_diffrn_id 1 -_reflns_shell.pdbx_ordinal 1 -_reflns_shell.d_res_high 2.27 -_reflns_shell.d_res_low 2.33 -_reflns_shell.percent_possible_all 99.6 -_reflns_shell.Rmerge_I_obs 0.89 -_reflns_shell.pdbx_Rsym_value ? -_reflns_shell.meanI_over_sigI_obs 1.90 -_reflns_shell.pdbx_redundancy 4.9 -# -_refine.pdbx_refine_id 'X-RAY DIFFRACTION' -_refine.entry_id 5A7W -_refine.pdbx_diffrn_id 1 -_refine.pdbx_TLS_residual_ADP_flag ? -_refine.ls_number_reflns_obs 40805 -_refine.ls_number_reflns_all ? -_refine.pdbx_ls_sigma_I ? -_refine.pdbx_ls_sigma_F 2 -_refine.pdbx_data_cutoff_high_absF ? -_refine.pdbx_data_cutoff_low_absF ? -_refine.pdbx_data_cutoff_high_rms_absF ? -_refine.ls_d_res_low 49.893 -_refine.ls_d_res_high 2.27 -_refine.ls_percent_reflns_obs 0.992199 -_refine.ls_R_factor_obs 0.2270 -_refine.ls_R_factor_all ? -_refine.ls_R_factor_R_work 0.2249 -_refine.ls_R_factor_R_free 0.2728 -_refine.ls_R_factor_R_free_error ? -_refine.ls_R_factor_R_free_error_details ? -_refine.ls_percent_reflns_R_free 4.2 -_refine.ls_number_reflns_R_free 1724 -_refine.ls_number_parameters ? -_refine.ls_number_restraints ? -_refine.occupancy_min ? -_refine.occupancy_max ? -_refine.correlation_coeff_Fo_to_Fc ? -_refine.correlation_coeff_Fo_to_Fc_free ? -_refine.B_iso_mean ? -_refine.aniso_B[1][1] ? -_refine.aniso_B[2][2] ? -_refine.aniso_B[3][3] ? -_refine.aniso_B[1][2] ? -_refine.aniso_B[1][3] ? -_refine.aniso_B[2][3] ? -_refine.solvent_model_details ? -_refine.solvent_model_param_ksol ? -_refine.solvent_model_param_bsol ? -_refine.pdbx_solvent_vdw_probe_radii 2 -_refine.pdbx_solvent_ion_probe_radii ? -_refine.pdbx_solvent_shrinkage_radii 2 -_refine.pdbx_ls_cross_valid_method ? -_refine.details -'DUAL CONFORMATION MODELED FOR SOME RESIDUES. SOME SIDE CHAINS ARE MISSING. DISORDERED REGIONS HAVE HIGH B FACTORS.' -_refine.pdbx_starting_model 4URA -_refine.pdbx_method_to_determine_struct 'MOLECULAR REPLACEMENT' -_refine.pdbx_isotropic_thermal_model ? -_refine.pdbx_stereochemistry_target_values ML -_refine.pdbx_stereochem_target_val_spec_case ? -_refine.pdbx_R_Free_selection_details ? -_refine.pdbx_overall_ESU_R ? -_refine.pdbx_overall_ESU_R_Free ? -_refine.overall_SU_ML ? -_refine.pdbx_overall_phase_error ? -_refine.overall_SU_B ? -_refine.overall_SU_R_Cruickshank_DPI ? -_refine.pdbx_overall_SU_R_free_Cruickshank_DPI ? -_refine.pdbx_overall_SU_R_Blow_DPI ? -_refine.pdbx_overall_SU_R_free_Blow_DPI ? -# -_refine_hist.pdbx_refine_id 'X-RAY DIFFRACTION' -_refine_hist.cycle_id LAST -_refine_hist.pdbx_number_atoms_protein 5377 -_refine_hist.pdbx_number_atoms_nucleic_acid 0 -_refine_hist.pdbx_number_atoms_ligand 94 -_refine_hist.number_atoms_solvent 75 -_refine_hist.number_atoms_total 5546 -_refine_hist.d_res_high 2.27 -_refine_hist.d_res_low 49.893 -# -loop_ -_refine_ls_shell.pdbx_refine_id -_refine_ls_shell.pdbx_total_number_of_bins_used -_refine_ls_shell.d_res_high -_refine_ls_shell.d_res_low -_refine_ls_shell.number_reflns_R_work -_refine_ls_shell.R_factor_R_work -_refine_ls_shell.percent_reflns_obs -_refine_ls_shell.R_factor_R_free -_refine_ls_shell.R_factor_R_free_error -_refine_ls_shell.percent_reflns_R_free -_refine_ls_shell.number_reflns_R_free -_refine_ls_shell.number_reflns_all -_refine_ls_shell.R_factor_all -'X-RAY DIFFRACTION' . 2.2700 2.3368 3213 0.3252 99.00 0.4105 . . 142 . . -'X-RAY DIFFRACTION' . 2.3368 2.4123 3220 0.3179 99.00 0.3636 . . 129 . . -'X-RAY DIFFRACTION' . 2.4123 2.4985 3235 0.3265 99.00 0.3950 . . 123 . . -'X-RAY DIFFRACTION' . 2.4985 2.5985 3246 0.3363 99.00 0.4080 . . 130 . . -'X-RAY DIFFRACTION' . 2.5985 2.7167 3206 0.3499 99.00 0.4026 . . 129 . . -'X-RAY DIFFRACTION' . 2.7167 2.8600 3220 0.3433 99.00 0.4145 . . 147 . . -'X-RAY DIFFRACTION' . 2.8600 3.0391 3230 0.3094 99.00 0.3652 . . 145 . . -'X-RAY DIFFRACTION' . 3.0391 3.2737 3253 0.2433 100.00 0.2939 . . 144 . . -'X-RAY DIFFRACTION' . 3.2737 3.6031 3273 0.2258 100.00 0.3168 . . 148 . . -'X-RAY DIFFRACTION' . 3.6031 4.1243 3268 0.1834 99.00 0.2274 . . 154 . . -'X-RAY DIFFRACTION' . 4.1243 5.1953 3282 0.1588 99.00 0.1874 . . 160 . . -'X-RAY DIFFRACTION' . 5.1953 49.9053 3434 0.1818 99.00 0.2272 . . 174 . . -# -_struct.entry_id 5A7W -_struct.title 'Crystal structure of human JMJD2A in complex with compound 35' -_struct.pdbx_descriptor 'LYSINE-SPECIFIC DEMETHYLASE 4A (E.C.1.14.11.-)' -_struct.pdbx_model_details ? -_struct.pdbx_CASP_flag ? -_struct.pdbx_model_type_details ? -# -_struct_keywords.entry_id 5A7W -_struct_keywords.pdbx_keywords OXIDOREDUCTASE -_struct_keywords.text 'OXIDOREDUCTASE, KDM4A' -# -loop_ -_struct_asym.id -_struct_asym.pdbx_blank_PDB_chainid_flag -_struct_asym.pdbx_modified -_struct_asym.entity_id -_struct_asym.details -A N N 1 ? -B N N 2 ? -C N N 3 ? -D N N 4 ? -E N N 5 ? -F N N 6 ? -G N N 7 ? -H N N 7 ? -I N N 8 ? -J N N 3 ? -K N N 4 ? -L N N 5 ? -M N N 6 ? -N N N 7 ? -O N N 7 ? -P N N 7 ? -Q N N 8 ? -R N N 9 ? -S N N 9 ? -# -loop_ -_struct_conf.conf_type_id -_struct_conf.id -_struct_conf.pdbx_PDB_helix_id -_struct_conf.beg_label_comp_id -_struct_conf.beg_label_asym_id -_struct_conf.beg_label_seq_id -_struct_conf.pdbx_beg_PDB_ins_code -_struct_conf.end_label_comp_id -_struct_conf.end_label_asym_id -_struct_conf.end_label_seq_id -_struct_conf.pdbx_end_PDB_ins_code -_struct_conf.beg_auth_comp_id -_struct_conf.beg_auth_asym_id -_struct_conf.beg_auth_seq_id -_struct_conf.end_auth_comp_id -_struct_conf.end_auth_asym_id -_struct_conf.end_auth_seq_id -_struct_conf.pdbx_PDB_helix_class -_struct_conf.details -_struct_conf.pdbx_PDB_helix_length -HELX_P HELX_P1 1 THR A 42 ? ARG A 47 ? THR A 20 ARG A 25 1 ? 6 -HELX_P HELX_P2 2 ASN A 48 ? GLN A 59 ? ASN A 26 GLN A 37 1 ? 12 -HELX_P HELX_P3 3 GLY A 60 ? ALA A 64 ? GLY A 38 ALA A 42 5 ? 5 -HELX_P HELX_P4 4 ASP A 82 ? ASP A 86 ? ASP A 60 ASP A 64 5 ? 5 -HELX_P HELX_P5 5 VAL A 116 ? SER A 125 ? VAL A 94 SER A 103 1 ? 10 -HELX_P HELX_P6 6 GLU A 135 ? LEU A 147 ? GLU A 113 LEU A 125 1 ? 13 -HELX_P HELX_P7 7 THR A 177 ? LEU A 179 ? THR A 155 LEU A 157 5 ? 3 -HELX_P HELX_P8 8 ASP A 180 ? GLU A 185 ? ASP A 158 GLU A 163 1 ? 6 -HELX_P HELX_P9 9 GLU A 212 ? LEU A 216 ? GLU A 190 LEU A 194 5 ? 5 -HELX_P HELX_P10 10 PRO A 234 ? GLU A 236 ? PRO A 212 GLU A 214 5 ? 3 -HELX_P HELX_P11 11 HIS A 237 ? PHE A 249 ? HIS A 215 PHE A 227 1 ? 13 -HELX_P HELX_P12 12 PHE A 249 ? CYS A 256 ? PHE A 227 CYS A 234 1 ? 8 -HELX_P HELX_P13 13 ALA A 258 ? LYS A 263 ? ALA A 236 LYS A 241 5 ? 6 -HELX_P HELX_P14 14 SER A 268 ? TYR A 275 ? SER A 246 TYR A 253 1 ? 8 -HELX_P HELX_P15 15 ARG A 317 ? ALA A 325 ? ARG A 295 ALA A 303 1 ? 9 -HELX_P HELX_P16 16 MET A 339 ? GLN A 347 ? MET A 317 GLN A 325 1 ? 9 -HELX_P HELX_P17 17 ARG A 350 ? ALA A 356 ? ARG A 328 ALA A 334 1 ? 7 -HELX_P HELX_P18 18 THR A 369 ? ALA A 373 ? THR A 347 ALA A 351 5 ? 5 -HELX_P HELX_P19 19 ASN B 31 ? ARG B 35 ? ASN B 9 ARG B 13 5 ? 5 -HELX_P HELX_P20 20 THR B 42 ? ASN B 48 ? THR B 20 ASN B 26 1 ? 7 -HELX_P HELX_P21 21 ASN B 48 ? GLN B 59 ? ASN B 26 GLN B 37 1 ? 12 -HELX_P HELX_P22 22 GLY B 60 ? ALA B 64 ? GLY B 38 ALA B 42 5 ? 5 -HELX_P HELX_P23 23 ASP B 82 ? ASP B 86 ? ASP B 60 ASP B 64 5 ? 5 -HELX_P HELX_P24 24 VAL B 116 ? ASN B 124 ? VAL B 94 ASN B 102 1 ? 9 -HELX_P HELX_P25 25 GLU B 135 ? LEU B 147 ? GLU B 113 LEU B 125 1 ? 13 -HELX_P HELX_P26 26 THR B 177 ? LEU B 179 ? THR B 155 LEU B 157 5 ? 3 -HELX_P HELX_P27 27 ASP B 180 ? GLU B 185 ? ASP B 158 GLU B 163 1 ? 6 -HELX_P HELX_P28 28 GLU B 212 ? LEU B 216 ? GLU B 190 LEU B 194 5 ? 5 -HELX_P HELX_P29 29 PRO B 234 ? GLU B 236 ? PRO B 212 GLU B 214 5 ? 3 -HELX_P HELX_P30 30 HIS B 237 ? PHE B 249 ? HIS B 215 PHE B 227 1 ? 13 -HELX_P HELX_P31 31 PHE B 249 ? CYS B 256 ? PHE B 227 CYS B 234 1 ? 8 -HELX_P HELX_P32 32 ALA B 258 ? LYS B 263 ? ALA B 236 LYS B 241 5 ? 6 -HELX_P HELX_P33 33 SER B 268 ? TYR B 275 ? SER B 246 TYR B 253 1 ? 8 -HELX_P HELX_P34 34 ARG B 317 ? ALA B 325 ? ARG B 295 ALA B 303 1 ? 9 -HELX_P HELX_P35 35 MET B 339 ? GLN B 347 ? MET B 317 GLN B 325 1 ? 9 -HELX_P HELX_P36 36 GLN B 347 ? ALA B 356 ? GLN B 325 ALA B 334 1 ? 10 -HELX_P HELX_P37 37 THR B 369 ? GLU B 374 ? THR B 347 GLU B 352 5 ? 6 -# -_struct_conf_type.id HELX_P -_struct_conf_type.criteria ? -_struct_conf_type.reference ? -# -loop_ -_struct_conn.id -_struct_conn.conn_type_id -_struct_conn.pdbx_leaving_atom_flag -_struct_conn.pdbx_PDB_id -_struct_conn.ptnr1_label_asym_id -_struct_conn.ptnr1_label_comp_id -_struct_conn.ptnr1_label_seq_id -_struct_conn.ptnr1_label_atom_id -_struct_conn.pdbx_ptnr1_label_alt_id -_struct_conn.pdbx_ptnr1_PDB_ins_code -_struct_conn.pdbx_ptnr1_standard_comp_id -_struct_conn.ptnr1_symmetry -_struct_conn.ptnr2_label_asym_id -_struct_conn.ptnr2_label_comp_id -_struct_conn.ptnr2_label_seq_id -_struct_conn.ptnr2_label_atom_id -_struct_conn.pdbx_ptnr2_label_alt_id -_struct_conn.pdbx_ptnr2_PDB_ins_code -_struct_conn.ptnr1_auth_asym_id -_struct_conn.ptnr1_auth_comp_id -_struct_conn.ptnr1_auth_seq_id -_struct_conn.ptnr2_auth_asym_id -_struct_conn.ptnr2_auth_comp_id -_struct_conn.ptnr2_auth_seq_id -_struct_conn.ptnr2_symmetry -_struct_conn.pdbx_ptnr3_label_atom_id -_struct_conn.pdbx_ptnr3_label_seq_id -_struct_conn.pdbx_ptnr3_label_comp_id -_struct_conn.pdbx_ptnr3_label_asym_id -_struct_conn.pdbx_ptnr3_label_alt_id -_struct_conn.pdbx_ptnr3_PDB_ins_code -_struct_conn.details -_struct_conn.pdbx_dist_value -_struct_conn.pdbx_value_order -metalc1 metalc ? ? D 35M . O2 ? ? ? 1_555 E MN . MN ? ? A 35M 1355 A MN 1356 1_555 ? ? ? ? ? ? ? 2.374 ? -metalc2 metalc ? ? D 35M . N1 ? ? ? 1_555 E MN . MN ? ? A 35M 1355 A MN 1356 1_555 ? ? ? ? ? ? ? 2.313 ? -metalc3 metalc ? ? E MN . MN ? ? ? 1_555 A HIS 298 NE2 ? ? A MN 1356 A HIS 276 1_555 ? ? ? ? ? ? ? 2.138 ? -metalc4 metalc ? ? E MN . MN ? ? ? 1_555 R HOH . O ? ? A MN 1356 A HOH 2019 1_555 ? ? ? ? ? ? ? 2.033 ? -metalc5 metalc ? ? E MN . MN ? ? ? 1_555 A HIS 210 NE2 ? ? A MN 1356 A HIS 188 1_555 ? ? ? ? ? ? ? 1.989 ? -metalc6 metalc ? ? E MN . MN ? ? ? 1_555 A GLU 212 OE2 ? ? A MN 1356 A GLU 190 1_555 ? ? ? ? ? ? ? 1.804 ? -metalc7 metalc ? ? F ZN . ZN ? ? ? 1_555 A CYS 330 SG ? ? A ZN 1357 A CYS 308 1_555 ? ? ? ? ? ? ? 2.424 ? -metalc8 metalc ? ? F ZN . ZN ? ? ? 1_555 A CYS 328 SG ? ? A ZN 1357 A CYS 306 1_555 ? ? ? ? ? ? ? 2.228 ? -metalc9 metalc ? ? F ZN . ZN ? ? ? 1_555 A HIS 262 NE2 ? ? A ZN 1357 A HIS 240 1_555 ? ? ? ? ? ? ? 2.105 ? -metalc10 metalc ? ? F ZN . ZN ? ? ? 1_555 A CYS 256 SG ? ? A ZN 1357 A CYS 234 1_555 ? ? ? ? ? ? ? 2.228 ? -metalc11 metalc ? ? K 35M . N1 ? ? ? 1_555 L MN . MN ? ? B 35M 1355 B MN 1356 1_555 ? ? ? ? ? ? ? 2.283 ? -metalc12 metalc ? ? K 35M . O2 ? ? ? 1_555 L MN . MN ? ? B 35M 1355 B MN 1356 1_555 ? ? ? ? ? ? ? 2.310 ? -metalc13 metalc ? ? L MN . MN ? ? ? 1_555 S HOH . O ? ? B MN 1356 B HOH 2022 1_555 ? ? ? ? ? ? ? 2.144 ? -metalc14 metalc ? ? L MN . MN ? ? ? 1_555 B HIS 298 NE2 ? ? B MN 1356 B HIS 276 1_555 ? ? ? ? ? ? ? 2.344 ? -metalc15 metalc ? ? L MN . MN ? ? ? 1_555 B GLU 212 OE2 ? ? B MN 1356 B GLU 190 1_555 ? ? ? ? ? ? ? 1.818 ? -metalc16 metalc ? ? L MN . MN ? ? ? 1_555 B HIS 210 NE2 ? ? B MN 1356 B HIS 188 1_555 ? ? ? ? ? ? ? 2.080 ? -metalc17 metalc ? ? M ZN . ZN ? ? ? 1_555 B CYS 330 SG ? ? B ZN 1357 B CYS 308 1_555 ? ? ? ? ? ? ? 2.281 ? -metalc18 metalc ? ? M ZN . ZN ? ? ? 1_555 B HIS 262 NE2 ? ? B ZN 1357 B HIS 240 1_555 ? ? ? ? ? ? ? 2.184 ? -metalc19 metalc ? ? M ZN . ZN ? ? ? 1_555 B CYS 256 SG ? ? B ZN 1357 B CYS 234 1_555 ? ? ? ? ? ? ? 2.271 ? -metalc20 metalc ? ? M ZN . ZN ? ? ? 1_555 B CYS 328 SG ? ? B ZN 1357 B CYS 306 1_555 ? ? ? ? ? ? ? 2.221 ? -# -_struct_conn_type.id metalc -_struct_conn_type.criteria ? -_struct_conn_type.reference ? -# -loop_ -_struct_sheet.id -_struct_sheet.type -_struct_sheet.number_strands -_struct_sheet.details -AA ? 10 ? -AB ? 2 ? -AC ? 4 ? -BA ? 10 ? -BB ? 2 ? -BC ? 4 ? -# -loop_ -_struct_sheet_order.sheet_id -_struct_sheet_order.range_id_1 -_struct_sheet_order.range_id_2 -_struct_sheet_order.offset -_struct_sheet_order.sense -AA 1 2 ? parallel -AA 2 3 ? anti-parallel -AA 3 4 ? anti-parallel -AA 4 5 ? anti-parallel -AA 5 6 ? anti-parallel -AA 6 7 ? anti-parallel -AA 7 8 ? anti-parallel -AA 8 9 ? anti-parallel -AA 9 10 ? anti-parallel -AB 1 2 ? anti-parallel -AC 1 2 ? anti-parallel -AC 2 3 ? anti-parallel -AC 3 4 ? anti-parallel -BA 1 2 ? parallel -BA 2 3 ? anti-parallel -BA 3 4 ? anti-parallel -BA 4 5 ? anti-parallel -BA 5 6 ? anti-parallel -BA 6 7 ? anti-parallel -BA 7 8 ? anti-parallel -BA 8 9 ? anti-parallel -BA 9 10 ? anti-parallel -BB 1 2 ? anti-parallel -BC 1 2 ? anti-parallel -BC 2 3 ? anti-parallel -BC 3 4 ? anti-parallel -# -loop_ -_struct_sheet_range.sheet_id -_struct_sheet_range.id -_struct_sheet_range.beg_label_comp_id -_struct_sheet_range.beg_label_asym_id -_struct_sheet_range.beg_label_seq_id -_struct_sheet_range.pdbx_beg_PDB_ins_code -_struct_sheet_range.end_label_comp_id -_struct_sheet_range.end_label_asym_id -_struct_sheet_range.end_label_seq_id -_struct_sheet_range.pdbx_end_PDB_ins_code -_struct_sheet_range.beg_auth_comp_id -_struct_sheet_range.beg_auth_asym_id -_struct_sheet_range.beg_auth_seq_id -_struct_sheet_range.end_auth_comp_id -_struct_sheet_range.end_auth_asym_id -_struct_sheet_range.end_auth_seq_id -AA 1 THR A 38 ? PHE A 39 ? THR A 16 PHE A 17 -AA 2 LEU A 66 ? VAL A 69 ? LEU A 44 VAL A 47 -AA 3 PHE A 289 ? THR A 292 ? PHE A 267 THR A 270 -AA 4 TYR A 217 ? GLY A 225 ? TYR A 195 GLY A 203 -AA 5 ASN A 306 ? PHE A 313 ? ASN A 284 PHE A 291 -AA 6 TYR A 197 ? GLY A 201 ? TYR A 175 GLY A 179 -AA 7 ILE A 153 ? ASN A 159 ? ILE A 131 ASN A 137 -AA 8 ILE A 93 ? GLN A 100 ? ILE A 71 GLN A 78 -AA 9 LEU A 103 ? GLN A 110 ? LEU A 81 GLN A 88 -AA 10 THR A 265 ? ILE A 267 ? THR A 243 ILE A 245 -AB 1 VAL A 88 ? ILE A 89 ? VAL A 66 ILE A 67 -AB 2 MET A 114 ? THR A 115 ? MET A 92 THR A 93 -AC 1 SER A 206 ? HIS A 210 ? SER A 184 HIS A 188 -AC 2 HIS A 298 ? ASN A 302 ? HIS A 276 ASN A 280 -AC 3 LYS A 228 ? SER A 232 ? LYS A 206 SER A 210 -AC 4 ASP A 280 ? GLN A 284 ? ASP A 258 GLN A 262 -BA 1 THR B 38 ? PHE B 39 ? THR B 16 PHE B 17 -BA 2 LEU B 66 ? VAL B 69 ? LEU B 44 VAL B 47 -BA 3 PHE B 289 ? THR B 292 ? PHE B 267 THR B 270 -BA 4 TYR B 217 ? GLY B 225 ? TYR B 195 GLY B 203 -BA 5 ASN B 306 ? PHE B 313 ? ASN B 284 PHE B 291 -BA 6 TYR B 197 ? GLY B 201 ? TYR B 175 GLY B 179 -BA 7 ILE B 153 ? ASN B 159 ? ILE B 131 ASN B 137 -BA 8 ILE B 93 ? GLN B 100 ? ILE B 71 GLN B 78 -BA 9 LEU B 103 ? GLN B 110 ? LEU B 81 GLN B 88 -BA 10 THR B 265 ? ILE B 267 ? THR B 243 ILE B 245 -BB 1 VAL B 88 ? ILE B 89 ? VAL B 66 ILE B 67 -BB 2 MET B 114 ? THR B 115 ? MET B 92 THR B 93 -BC 1 SER B 206 ? HIS B 210 ? SER B 184 HIS B 188 -BC 2 TYR B 297 ? ASN B 302 ? TYR B 275 ASN B 280 -BC 3 LYS B 228 ? VAL B 233 ? LYS B 206 VAL B 211 -BC 4 ASP B 280 ? GLN B 284 ? ASP B 258 GLN B 262 -# -loop_ -_pdbx_struct_sheet_hbond.sheet_id -_pdbx_struct_sheet_hbond.range_id_1 -_pdbx_struct_sheet_hbond.range_id_2 -_pdbx_struct_sheet_hbond.range_1_label_atom_id -_pdbx_struct_sheet_hbond.range_1_label_comp_id -_pdbx_struct_sheet_hbond.range_1_label_asym_id -_pdbx_struct_sheet_hbond.range_1_label_seq_id -_pdbx_struct_sheet_hbond.range_1_PDB_ins_code -_pdbx_struct_sheet_hbond.range_1_auth_atom_id -_pdbx_struct_sheet_hbond.range_1_auth_comp_id -_pdbx_struct_sheet_hbond.range_1_auth_asym_id -_pdbx_struct_sheet_hbond.range_1_auth_seq_id -_pdbx_struct_sheet_hbond.range_2_label_atom_id -_pdbx_struct_sheet_hbond.range_2_label_comp_id -_pdbx_struct_sheet_hbond.range_2_label_asym_id -_pdbx_struct_sheet_hbond.range_2_label_seq_id -_pdbx_struct_sheet_hbond.range_2_PDB_ins_code -_pdbx_struct_sheet_hbond.range_2_auth_atom_id -_pdbx_struct_sheet_hbond.range_2_auth_comp_id -_pdbx_struct_sheet_hbond.range_2_auth_asym_id -_pdbx_struct_sheet_hbond.range_2_auth_seq_id -AA 1 2 N PHE A 39 ? N PHE A 17 O LYS A 68 ? O LYS A 46 -AA 2 3 N VAL A 69 ? N VAL A 47 O PHE A 289 ? O PHE A 267 -AA 3 4 N THR A 292 ? N THR A 270 O SER A 218 ? O SER A 196 -AA 4 5 N PHE A 224 ? N PHE A 202 O CYS A 307 ? O CYS A 285 -AA 5 6 N SER A 310 ? N SER A 288 O TYR A 197 ? O TYR A 175 -AA 6 7 N PHE A 200 ? N PHE A 178 O GLY A 155 ? O GLY A 133 -AA 7 8 N TYR A 154 ? N TYR A 132 O ILE A 93 ? O ILE A 71 -AA 8 9 N GLN A 100 ? N GLN A 78 O LEU A 103 ? O LEU A 81 -AA 9 10 N PHE A 104 ? N PHE A 82 O LEU A 266 ? O LEU A 244 -AB 1 2 N ILE A 89 ? N ILE A 67 O MET A 114 ? O MET A 92 -AC 1 2 N HIS A 210 ? N HIS A 188 O HIS A 298 ? O HIS A 276 -AC 2 3 N PHE A 301 ? N PHE A 279 O SER A 229 ? O SER A 207 -AC 3 4 N SER A 232 ? N SER A 210 O ASP A 280 ? O ASP A 258 -BA 1 2 N PHE B 39 ? N PHE B 17 O LYS B 68 ? O LYS B 46 -BA 2 3 N VAL B 69 ? N VAL B 47 O PHE B 289 ? O PHE B 267 -BA 3 4 N THR B 292 ? N THR B 270 O SER B 218 ? O SER B 196 -BA 4 5 N PHE B 224 ? N PHE B 202 O CYS B 307 ? O CYS B 285 -BA 5 6 N SER B 310 ? N SER B 288 O TYR B 197 ? O TYR B 175 -BA 6 7 N PHE B 200 ? N PHE B 178 O GLY B 155 ? O GLY B 133 -BA 7 8 N TYR B 154 ? N TYR B 132 O ILE B 93 ? O ILE B 71 -BA 8 9 N GLN B 100 ? N GLN B 78 O LEU B 103 ? O LEU B 81 -BA 9 10 N PHE B 104 ? N PHE B 82 O LEU B 266 ? O LEU B 244 -BB 1 2 N ILE B 89 ? N ILE B 67 O MET B 114 ? O MET B 92 -BC 1 2 N HIS B 210 ? N HIS B 188 O HIS B 298 ? O HIS B 276 -BC 2 3 N PHE B 301 ? N PHE B 279 O SER B 229 ? O SER B 207 -BC 3 4 N SER B 232 ? N SER B 210 O ASP B 280 ? O ASP B 258 -# -loop_ -_struct_site.id -_struct_site.pdbx_evidence_code -_struct_site.pdbx_auth_asym_id -_struct_site.pdbx_auth_comp_id -_struct_site.pdbx_auth_seq_id -_struct_site.pdbx_auth_ins_code -_struct_site.pdbx_num_residues -_struct_site.details -AC1 Software ? ? ? ? 5 'BINDING SITE FOR RESIDUE SO4 A 1354' -AC2 Software ? ? ? ? 5 'BINDING SITE FOR RESIDUE SO4 B 1354' -AC3 Software ? ? ? ? 15 'BINDING SITE FOR RESIDUE 35M B 1355' -AC4 Software ? ? ? ? 14 'BINDING SITE FOR RESIDUE 35M A 1355' -AC5 Software ? ? ? ? 5 'BINDING SITE FOR RESIDUE MN A 1356' -AC6 Software ? ? ? ? 5 'BINDING SITE FOR RESIDUE MN B 1356' -AC7 Software ? ? ? ? 4 'BINDING SITE FOR RESIDUE ZN A 1357' -AC8 Software ? ? ? ? 4 'BINDING SITE FOR RESIDUE ZN B 1357' -AC9 Software ? ? ? ? 4 'BINDING SITE FOR RESIDUE EDO B 1358' -BC1 Software ? ? ? ? 3 'BINDING SITE FOR RESIDUE EDO B 1359' -BC2 Software ? ? ? ? 5 'BINDING SITE FOR RESIDUE EDO B 1360' -BC3 Software ? ? ? ? 1 'BINDING SITE FOR RESIDUE EDO A 1358' -BC4 Software ? ? ? ? 4 'BINDING SITE FOR RESIDUE EDO A 1359' -BC5 Software ? ? ? ? 7 'BINDING SITE FOR RESIDUE DMS B 1361' -BC6 Software ? ? ? ? 5 'BINDING SITE FOR RESIDUE DMS A 1360' -# -loop_ -_struct_site_gen.id -_struct_site_gen.site_id -_struct_site_gen.pdbx_num_res -_struct_site_gen.label_comp_id -_struct_site_gen.label_asym_id -_struct_site_gen.label_seq_id -_struct_site_gen.pdbx_auth_ins_code -_struct_site_gen.auth_comp_id -_struct_site_gen.auth_asym_id -_struct_site_gen.auth_seq_id -_struct_site_gen.label_atom_id -_struct_site_gen.label_alt_id -_struct_site_gen.symmetry -_struct_site_gen.details -1 AC1 5 PHE A 249 ? PHE A 227 . ? 1_555 ? -2 AC1 5 PRO A 250 ? PRO A 228 . ? 1_555 ? -3 AC1 5 GLY A 251 ? GLY A 229 . ? 1_555 ? -4 AC1 5 SER A 252 ? SER A 230 . ? 1_555 ? -5 AC1 5 LYS B 127 ? LYS B 105 . ? 4_545 ? -6 AC2 5 LYS A 127 ? LYS A 105 . ? 4_445 ? -7 AC2 5 PHE B 249 ? PHE B 227 . ? 1_555 ? -8 AC2 5 PRO B 250 ? PRO B 228 . ? 1_555 ? -9 AC2 5 GLY B 251 ? GLY B 229 . ? 1_555 ? -10 AC2 5 SER B 252 ? SER B 230 . ? 1_555 ? -11 AC3 15 ASN B 108 ? ASN B 86 . ? 1_555 ? -12 AC3 15 TYR B 154 ? TYR B 132 . ? 1_555 ? -13 AC3 15 ASP B 157 ? ASP B 135 . ? 1_555 ? -14 AC3 15 TYR B 199 ? TYR B 177 . ? 1_555 ? -15 AC3 15 PHE B 207 ? PHE B 185 . ? 1_555 ? -16 AC3 15 HIS B 210 ? HIS B 188 . ? 1_555 ? -17 AC3 15 GLU B 212 ? GLU B 190 . ? 1_555 ? -18 AC3 15 ASN B 220 ? ASN B 198 . ? 1_555 ? -19 AC3 15 LYS B 228 ? LYS B 206 . ? 1_555 ? -20 AC3 15 TRP B 230 ? TRP B 208 . ? 1_555 ? -21 AC3 15 LYS B 263 ? LYS B 241 . ? 1_555 ? -22 AC3 15 MN L . ? MN B 1356 . ? 1_555 ? -23 AC3 15 DMS Q . ? DMS B 1361 . ? 1_555 ? -24 AC3 15 HOH S . ? HOH B 2013 . ? 1_555 ? -25 AC3 15 HOH S . ? HOH B 2022 . ? 1_555 ? -26 AC4 14 ASN A 108 ? ASN A 86 . ? 1_555 ? -27 AC4 14 TYR A 154 ? TYR A 132 . ? 1_555 ? -28 AC4 14 PHE A 207 ? PHE A 185 . ? 1_555 ? -29 AC4 14 HIS A 210 ? HIS A 188 . ? 1_555 ? -30 AC4 14 GLU A 212 ? GLU A 190 . ? 1_555 ? -31 AC4 14 ASN A 220 ? ASN A 198 . ? 1_555 ? -32 AC4 14 LYS A 228 ? LYS A 206 . ? 1_555 ? -33 AC4 14 TRP A 230 ? TRP A 208 . ? 1_555 ? -34 AC4 14 LYS A 263 ? LYS A 241 . ? 1_555 ? -35 AC4 14 MN E . ? MN A 1356 . ? 1_555 ? -36 AC4 14 DMS I . ? DMS A 1360 . ? 1_555 ? -37 AC4 14 HOH R . ? HOH A 2007 . ? 1_555 ? -38 AC4 14 HOH R . ? HOH A 2011 . ? 1_555 ? -39 AC4 14 HOH R . ? HOH A 2019 . ? 1_555 ? -40 AC5 5 HIS A 210 ? HIS A 188 . ? 1_555 ? -41 AC5 5 GLU A 212 ? GLU A 190 . ? 1_555 ? -42 AC5 5 HIS A 298 ? HIS A 276 . ? 1_555 ? -43 AC5 5 35M D . ? 35M A 1355 . ? 1_555 ? -44 AC5 5 HOH R . ? HOH A 2019 . ? 1_555 ? -45 AC6 5 HIS B 210 ? HIS B 188 . ? 1_555 ? -46 AC6 5 GLU B 212 ? GLU B 190 . ? 1_555 ? -47 AC6 5 HIS B 298 ? HIS B 276 . ? 1_555 ? -48 AC6 5 35M K . ? 35M B 1355 . ? 1_555 ? -49 AC6 5 HOH S . ? HOH B 2022 . ? 1_555 ? -50 AC7 4 CYS A 256 ? CYS A 234 . ? 1_555 ? -51 AC7 4 HIS A 262 ? HIS A 240 . ? 1_555 ? -52 AC7 4 CYS A 328 ? CYS A 306 . ? 1_555 ? -53 AC7 4 CYS A 330 ? CYS A 308 . ? 1_555 ? -54 AC8 4 CYS B 256 ? CYS B 234 . ? 1_555 ? -55 AC8 4 HIS B 262 ? HIS B 240 . ? 1_555 ? -56 AC8 4 CYS B 328 ? CYS B 306 . ? 1_555 ? -57 AC8 4 CYS B 330 ? CYS B 308 . ? 1_555 ? -58 AC9 4 LYS B 246 ? LYS B 224 . ? 1_555 ? -59 AC9 4 ALA B 258 ? ALA B 236 . ? 1_555 ? -60 AC9 4 PHE B 259 ? PHE B 237 . ? 1_555 ? -61 AC9 4 LEU B 260 ? LEU B 238 . ? 1_555 ? -62 BC1 3 PHE B 136 ? PHE B 114 . ? 1_555 ? -63 BC1 3 THR B 283 ? THR B 261 . ? 1_555 ? -64 BC1 3 HIS B 303 ? HIS B 281 . ? 1_555 ? -65 BC2 5 THR B 105 ? THR B 83 . ? 1_555 ? -66 BC2 5 PHE B 249 ? PHE B 227 . ? 1_555 ? -67 BC2 5 SER B 252 ? SER B 230 . ? 1_555 ? -68 BC2 5 HIS B 262 ? HIS B 240 . ? 1_555 ? -69 BC2 5 THR B 265 ? THR B 243 . ? 1_555 ? -70 BC3 1 LYS A 112 ? LYS A 90 . ? 1_555 ? -71 BC4 4 GLU A 257 ? GLU A 235 . ? 1_555 ? -72 BC4 4 ALA A 258 ? ALA A 236 . ? 1_555 ? -73 BC4 4 PHE A 259 ? PHE A 237 . ? 1_555 ? -74 BC4 4 LEU A 260 ? LEU A 238 . ? 1_555 ? -75 BC5 7 GLY B 192 ? GLY B 170 . ? 1_555 ? -76 BC5 7 TYR B 197 ? TYR B 175 . ? 1_555 ? -77 BC5 7 TYR B 199 ? TYR B 177 . ? 1_555 ? -78 BC5 7 GLU B 212 ? GLU B 190 . ? 1_555 ? -79 BC5 7 SER B 310 ? SER B 288 . ? 1_555 ? -80 BC5 7 ASN B 312 ? ASN B 290 . ? 1_555 ? -81 BC5 7 35M K . ? 35M B 1355 . ? 1_555 ? -82 BC6 5 GLY A 192 ? GLY A 170 . ? 1_555 ? -83 BC6 5 TYR A 197 ? TYR A 175 . ? 1_555 ? -84 BC6 5 TYR A 199 ? TYR A 177 . ? 1_555 ? -85 BC6 5 SER A 310 ? SER A 288 . ? 1_555 ? -86 BC6 5 35M D . ? 35M A 1355 . ? 1_555 ? -# -_database_PDB_matrix.entry_id 5A7W -_database_PDB_matrix.origx[1][1] 1.000000 -_database_PDB_matrix.origx[1][2] 0.000000 -_database_PDB_matrix.origx[1][3] 0.000000 -_database_PDB_matrix.origx[2][1] 0.000000 -_database_PDB_matrix.origx[2][2] 1.000000 -_database_PDB_matrix.origx[2][3] 0.000000 -_database_PDB_matrix.origx[3][1] 0.000000 -_database_PDB_matrix.origx[3][2] 0.000000 -_database_PDB_matrix.origx[3][3] 1.000000 -_database_PDB_matrix.origx_vector[1] 0.00000 -_database_PDB_matrix.origx_vector[2] 0.00000 -_database_PDB_matrix.origx_vector[3] 0.00000 -# -_atom_sites.entry_id 5A7W -_atom_sites.fract_transf_matrix[1][1] 0.009878 -_atom_sites.fract_transf_matrix[1][2] 0.000000 -_atom_sites.fract_transf_matrix[1][3] 0.000000 -_atom_sites.fract_transf_matrix[2][1] 0.000000 -_atom_sites.fract_transf_matrix[2][2] 0.006678 -_atom_sites.fract_transf_matrix[2][3] 0.000000 -_atom_sites.fract_transf_matrix[3][1] 0.000000 -_atom_sites.fract_transf_matrix[3][2] 0.000000 -_atom_sites.fract_transf_matrix[3][3] 0.017440 -_atom_sites.fract_transf_vector[1] 0.00000 -_atom_sites.fract_transf_vector[2] 0.00000 -_atom_sites.fract_transf_vector[3] 0.00000 -# -loop_ -_atom_type.symbol -C -MN -N -O -S -ZN -# -loop_ -_atom_site.group_PDB -_atom_site.id -_atom_site.type_symbol -_atom_site.label_atom_id -_atom_site.label_alt_id -_atom_site.label_comp_id -_atom_site.label_asym_id -_atom_site.label_entity_id -_atom_site.label_seq_id -_atom_site.pdbx_PDB_ins_code -_atom_site.Cartn_x -_atom_site.Cartn_y -_atom_site.Cartn_z -_atom_site.occupancy -_atom_site.B_iso_or_equiv -_atom_site.pdbx_formal_charge -_atom_site.auth_seq_id -_atom_site.auth_comp_id -_atom_site.auth_asym_id -_atom_site.auth_atom_id -_atom_site.pdbx_PDB_model_num -ATOM 1 C C . LEU A 1 30 ? -49.201 -35.716 -23.840 1.00 77.15 ? 8 LEU A C 1 -ATOM 2 O O . LEU A 1 30 ? -50.290 -35.144 -23.955 1.00 75.25 ? 8 LEU A O 1 -ATOM 3 N N . ASN A 1 31 ? -48.063 -35.075 -23.583 1.00 61.74 ? 9 ASN A N 1 -ATOM 4 C CA . ASN A 1 31 ? -46.758 -35.747 -23.590 1.00 72.09 ? 9 ASN A CA 1 -ATOM 5 C C . ASN A 1 31 ? -46.471 -36.408 -22.239 1.00 74.83 ? 9 ASN A C 1 -ATOM 6 O O . ASN A 1 31 ? -45.771 -35.837 -21.383 1.00 75.60 ? 9 ASN A O 1 -ATOM 7 C CB . ASN A 1 31 ? -45.668 -34.723 -23.922 1.00 64.10 ? 9 ASN A CB 1 -ATOM 8 C CG . ASN A 1 31 ? -44.276 -35.316 -23.929 1.00 68.40 ? 9 ASN A CG 1 -ATOM 9 O OD1 . ASN A 1 31 ? -44.098 -36.531 -24.041 1.00 80.25 ? 9 ASN A OD1 1 -ATOM 10 N ND2 . ASN A 1 31 ? -43.272 -34.451 -23.848 1.00 68.67 ? 9 ASN A ND2 1 -ATOM 11 N N . PRO A 1 32 ? -46.951 -37.645 -22.065 1.00 67.90 ? 10 PRO A N 1 -ATOM 12 C CA . PRO A 1 32 ? -46.876 -38.278 -20.743 1.00 71.06 ? 10 PRO A CA 1 -ATOM 13 C C . PRO A 1 32 ? -45.468 -38.698 -20.305 1.00 67.29 ? 10 PRO A C 1 -ATOM 14 O O . PRO A 1 32 ? -45.185 -38.721 -19.097 1.00 55.72 ? 10 PRO A O 1 -ATOM 15 C CB . PRO A 1 32 ? -47.772 -39.510 -20.922 1.00 69.88 ? 10 PRO A CB 1 -ATOM 16 C CG . PRO A 1 32 ? -47.553 -39.892 -22.351 1.00 62.62 ? 10 PRO A CG 1 -ATOM 17 C CD . PRO A 1 32 ? -47.357 -38.599 -23.113 1.00 71.04 ? 10 PRO A CD 1 -ATOM 18 N N . SER A 1 33 ? -44.609 -39.008 -21.278 1.00 66.01 ? 11 SER A N 1 -ATOM 19 C CA . SER A 1 33 ? -43.212 -39.361 -21.026 1.00 64.91 ? 11 SER A CA 1 -ATOM 20 C C . SER A 1 33 ? -42.272 -38.154 -20.901 1.00 73.37 ? 11 SER A C 1 -ATOM 21 O O . SER A 1 33 ? -41.085 -38.324 -20.592 1.00 60.97 ? 11 SER A O 1 -ATOM 22 C CB . SER A 1 33 ? -42.708 -40.271 -22.140 1.00 63.77 ? 11 SER A CB 1 -ATOM 23 O OG . SER A 1 33 ? -42.941 -39.659 -23.401 1.00 77.17 ? 11 SER A OG 1 -ATOM 24 N N . ALA A 1 34 ? -42.791 -36.948 -21.151 1.00 69.65 ? 12 ALA A N 1 -ATOM 25 C CA . ALA A 1 34 ? -41.986 -35.732 -21.008 1.00 63.18 ? 12 ALA A CA 1 -ATOM 26 C C . ALA A 1 34 ? -40.686 -35.873 -21.812 1.00 60.72 ? 12 ALA A C 1 -ATOM 27 O O . ALA A 1 34 ? -39.609 -35.562 -21.311 1.00 60.55 ? 12 ALA A O 1 -ATOM 28 C CB . ALA A 1 34 ? -41.690 -35.425 -19.536 1.00 56.06 ? 12 ALA A CB 1 -ATOM 29 N N . ARG A 1 35 ? -40.792 -36.397 -23.032 1.00 65.09 ? 13 ARG A N 1 -ATOM 30 C CA . ARG A 1 35 ? -39.638 -36.532 -23.919 1.00 67.31 ? 13 ARG A CA 1 -ATOM 31 C C . ARG A 1 35 ? -39.461 -35.329 -24.832 1.00 65.39 ? 13 ARG A C 1 -ATOM 32 O O . ARG A 1 35 ? -40.418 -34.619 -25.154 1.00 60.25 ? 13 ARG A O 1 -ATOM 33 C CB . ARG A 1 35 ? -39.761 -37.791 -24.790 1.00 58.41 ? 13 ARG A CB 1 -ATOM 34 C CG . ARG A 1 35 ? -39.469 -39.099 -24.071 1.00 76.06 ? 13 ARG A CG 1 -ATOM 35 C CD . ARG A 1 35 ? -38.011 -39.526 -24.239 1.00 75.67 ? 13 ARG A CD 1 -ATOM 36 N N . ILE A 1 36 ? -38.218 -35.117 -25.249 1.00 61.31 ? 14 ILE A N 1 -ATOM 37 C CA . ILE A 1 36 ? -37.869 -33.997 -26.105 1.00 59.01 ? 14 ILE A CA 1 -ATOM 38 C C . ILE A 1 36 ? -38.399 -34.199 -27.510 1.00 60.80 ? 14 ILE A C 1 -ATOM 39 O O . ILE A 1 36 ? -37.970 -35.110 -28.228 1.00 63.20 ? 14 ILE A O 1 -ATOM 40 C CB . ILE A 1 36 ? -36.342 -33.792 -26.178 1.00 45.85 ? 14 ILE A CB 1 -ATOM 41 C CG1 . ILE A 1 36 ? -35.798 -33.338 -24.824 1.00 49.64 ? 14 ILE A CG1 1 -ATOM 42 C CG2 . ILE A 1 36 ? -36.008 -32.792 -27.245 1.00 49.07 ? 14 ILE A CG2 1 -ATOM 43 C CD1 . ILE A 1 36 ? -34.264 -33.340 -24.714 1.00 55.48 ? 14 ILE A CD1 1 -ATOM 44 N N . MET A 1 37 ? -39.304 -33.322 -27.915 1.00 52.75 ? 15 MET A N 1 -ATOM 45 C CA . MET A 1 37 ? -39.879 -33.380 -29.250 1.00 48.00 ? 15 MET A CA 1 -ATOM 46 C C . MET A 1 37 ? -39.135 -32.576 -30.299 1.00 49.04 ? 15 MET A C 1 -ATOM 47 O O . MET A 1 37 ? -38.388 -31.650 -29.975 1.00 57.77 ? 15 MET A O 1 -ATOM 48 C CB . MET A 1 37 ? -41.321 -32.919 -29.185 1.00 52.23 ? 15 MET A CB 1 -ATOM 49 C CG . MET A 1 37 ? -42.140 -33.769 -28.233 1.00 63.47 ? 15 MET A CG 1 -ATOM 50 S SD . MET A 1 37 ? -43.797 -33.125 -28.046 1.00 55.54 ? 15 MET A SD 1 -ATOM 51 C CE . MET A 1 37 ? -44.535 -34.340 -27.003 1.00 70.58 ? 15 MET A CE 1 -ATOM 52 N N . THR A 1 38 ? -39.318 -32.967 -31.559 1.00 57.35 ? 16 THR A N 1 -ATOM 53 C CA . THR A 1 38 ? -38.708 -32.281 -32.701 1.00 57.15 ? 16 THR A CA 1 -ATOM 54 C C . THR A 1 38 ? -39.830 -31.852 -33.628 1.00 57.27 ? 16 THR A C 1 -ATOM 55 O O . THR A 1 38 ? -40.760 -32.619 -33.864 1.00 59.36 ? 16 THR A O 1 -ATOM 56 C CB . THR A 1 38 ? -37.678 -33.178 -33.460 1.00 59.48 ? 16 THR A CB 1 -ATOM 57 O OG1 . THR A 1 38 ? -36.654 -33.613 -32.553 1.00 58.19 ? 16 THR A OG1 1 -ATOM 58 C CG2 . THR A 1 38 ? -37.001 -32.406 -34.584 1.00 58.35 ? 16 THR A CG2 1 -ATOM 59 N N . PHE A 1 39 ? -39.755 -30.627 -34.142 1.00 56.91 ? 17 PHE A N 1 -ATOM 60 C CA . PHE A 1 39 ? -40.835 -30.096 -34.978 1.00 56.22 ? 17 PHE A CA 1 -ATOM 61 C C . PHE A 1 39 ? -40.321 -29.598 -36.306 1.00 58.23 ? 17 PHE A C 1 -ATOM 62 O O . PHE A 1 39 ? -39.234 -29.013 -36.399 1.00 57.13 ? 17 PHE A O 1 -ATOM 63 C CB . PHE A 1 39 ? -41.575 -28.950 -34.278 1.00 59.71 ? 17 PHE A CB 1 -ATOM 64 C CG . PHE A 1 39 ? -42.308 -29.368 -33.046 1.00 60.96 ? 17 PHE A CG 1 -ATOM 65 C CD1 . PHE A 1 39 ? -43.615 -29.810 -33.123 1.00 61.41 ? 17 PHE A CD1 1 -ATOM 66 C CD2 . PHE A 1 39 ? -41.700 -29.316 -31.809 1.00 53.43 ? 17 PHE A CD2 1 -ATOM 67 C CE1 . PHE A 1 39 ? -44.298 -30.200 -31.991 1.00 55.55 ? 17 PHE A CE1 1 -ATOM 68 C CE2 . PHE A 1 39 ? -42.388 -29.711 -30.677 1.00 56.20 ? 17 PHE A CE2 1 -ATOM 69 C CZ . PHE A 1 39 ? -43.687 -30.161 -30.775 1.00 48.62 ? 17 PHE A CZ 1 -ATOM 70 N N . TYR A 1 40 ? -41.132 -29.817 -37.334 1.00 68.50 ? 18 TYR A N 1 -ATOM 71 C CA . TYR A 1 40 ? -40.796 -29.399 -38.688 1.00 73.29 ? 18 TYR A CA 1 -ATOM 72 C C . TYR A 1 40 ? -41.933 -28.584 -39.282 1.00 73.68 ? 18 TYR A C 1 -ATOM 73 O O . TYR A 1 40 ? -42.721 -29.111 -40.068 1.00 75.68 ? 18 TYR A O 1 -ATOM 74 C CB . TYR A 1 40 ? -40.513 -30.602 -39.582 1.00 63.88 ? 18 TYR A CB 1 -ATOM 75 C CG . TYR A 1 40 ? -39.324 -31.439 -39.193 1.00 61.76 ? 18 TYR A CG 1 -ATOM 76 C CD1 . TYR A 1 40 ? -39.420 -32.409 -38.208 1.00 56.16 ? 18 TYR A CD1 1 -ATOM 77 C CD2 . TYR A 1 40 ? -38.097 -31.267 -39.829 1.00 70.62 ? 18 TYR A CD2 1 -ATOM 78 C CE1 . TYR A 1 40 ? -38.317 -33.200 -37.868 1.00 54.31 ? 18 TYR A CE1 1 -ATOM 79 C CE2 . TYR A 1 40 ? -36.994 -32.052 -39.498 1.00 65.18 ? 18 TYR A CE2 1 -ATOM 80 C CZ . TYR A 1 40 ? -37.114 -33.015 -38.520 1.00 59.48 ? 18 TYR A CZ 1 -ATOM 81 O OH . TYR A 1 40 ? -36.013 -33.785 -38.196 1.00 72.33 ? 18 TYR A OH 1 -ATOM 82 N N . PRO A 1 41 ? -42.045 -27.310 -38.888 1.00 66.93 ? 19 PRO A N 1 -ATOM 83 C CA . PRO A 1 41 ? -43.139 -26.493 -39.406 1.00 69.78 ? 19 PRO A CA 1 -ATOM 84 C C . PRO A 1 41 ? -42.973 -26.232 -40.890 1.00 73.22 ? 19 PRO A C 1 -ATOM 85 O O . PRO A 1 41 ? -41.843 -26.110 -41.349 1.00 77.63 ? 19 PRO A O 1 -ATOM 86 C CB . PRO A 1 41 ? -43.013 -25.187 -38.611 1.00 68.00 ? 19 PRO A CB 1 -ATOM 87 C CG . PRO A 1 41 ? -41.595 -25.117 -38.219 1.00 66.27 ? 19 PRO A CG 1 -ATOM 88 C CD . PRO A 1 41 ? -41.174 -26.550 -37.979 1.00 71.01 ? 19 PRO A CD 1 -ATOM 89 N N . THR A 1 42 ? -44.076 -26.142 -41.625 1.00 79.93 ? 20 THR A N 1 -ATOM 90 C CA . THR A 1 42 ? -44.026 -25.657 -43.001 1.00 80.33 ? 20 THR A CA 1 -ATOM 91 C C . THR A 1 42 ? -43.855 -24.151 -42.978 1.00 75.87 ? 20 THR A C 1 -ATOM 92 O O . THR A 1 42 ? -43.969 -23.535 -41.923 1.00 75.35 ? 20 THR A O 1 -ATOM 93 C CB . THR A 1 42 ? -45.297 -25.990 -43.775 1.00 78.22 ? 20 THR A CB 1 -ATOM 94 O OG1 . THR A 1 42 ? -46.386 -25.245 -43.211 1.00 86.48 ? 20 THR A OG1 1 -ATOM 95 C CG2 . THR A 1 42 ? -45.596 -27.481 -43.694 1.00 80.48 ? 20 THR A CG2 1 -ATOM 96 N N . MET A 1 43 ? -43.632 -23.558 -44.145 1.00 83.56 ? 21 MET A N 1 -ATOM 97 C CA . MET A 1 43 ? -43.372 -22.121 -44.237 1.00 79.49 ? 21 MET A CA 1 -ATOM 98 C C . MET A 1 43 ? -44.543 -21.280 -43.731 1.00 80.20 ? 21 MET A C 1 -ATOM 99 O O . MET A 1 43 ? -44.343 -20.177 -43.222 1.00 81.97 ? 21 MET A O 1 -ATOM 100 C CB . MET A 1 43 ? -43.023 -21.729 -45.670 1.00 73.19 ? 21 MET A CB 1 -ATOM 101 C CG . MET A 1 43 ? -42.359 -20.366 -45.770 1.00 84.14 ? 21 MET A CG 1 -ATOM 102 S SD . MET A 1 43 ? -41.057 -20.154 -44.533 1.00 98.45 ? 21 MET A SD 1 -ATOM 103 C CE . MET A 1 43 ? -40.504 -18.469 -44.852 1.00 81.36 ? 21 MET A CE 1 -ATOM 104 N N . GLU A 1 44 ? -45.763 -21.786 -43.891 1.00 80.47 ? 22 GLU A N 1 -ATOM 105 C CA . GLU A 1 44 ? -46.949 -21.049 -43.451 1.00 80.96 ? 22 GLU A CA 1 -ATOM 106 C C . GLU A 1 44 ? -47.063 -21.026 -41.928 1.00 79.32 ? 22 GLU A C 1 -ATOM 107 O O . GLU A 1 44 ? -47.562 -20.060 -41.356 1.00 73.91 ? 22 GLU A O 1 -ATOM 108 C CB . GLU A 1 44 ? -48.220 -21.647 -44.064 1.00 74.25 ? 22 GLU A CB 1 -ATOM 109 N N . GLU A 1 45 ? -46.615 -22.095 -41.271 1.00 83.67 ? 23 GLU A N 1 -ATOM 110 C CA . GLU A 1 45 ? -46.676 -22.159 -39.811 1.00 76.92 ? 23 GLU A CA 1 -ATOM 111 C C . GLU A 1 45 ? -45.552 -21.388 -39.138 1.00 75.71 ? 23 GLU A C 1 -ATOM 112 O O . GLU A 1 45 ? -45.690 -20.920 -38.004 1.00 79.83 ? 23 GLU A O 1 -ATOM 113 C CB . GLU A 1 45 ? -46.675 -23.603 -39.325 1.00 72.06 ? 23 GLU A CB 1 -ATOM 114 C CG . GLU A 1 45 ? -47.872 -24.401 -39.791 1.00 76.49 ? 23 GLU A CG 1 -ATOM 115 C CD . GLU A 1 45 ? -47.712 -25.887 -39.544 1.00 88.46 ? 23 GLU A CD 1 -ATOM 116 O OE1 . GLU A 1 45 ? -46.914 -26.521 -40.266 1.00 82.19 ? 23 GLU A OE1 1 -ATOM 117 O OE2 . GLU A 1 45 ? -48.370 -26.417 -38.617 1.00 89.47 ? 23 GLU A OE2 1 -ATOM 118 N N . PHE A 1 46 ? -44.447 -21.251 -39.852 1.00 69.91 ? 24 PHE A N 1 -ATOM 119 C CA . PHE A 1 46 ? -43.247 -20.642 -39.312 1.00 70.70 ? 24 PHE A CA 1 -ATOM 120 C C . PHE A 1 46 ? -43.348 -19.129 -39.089 1.00 68.14 ? 24 PHE A C 1 -ATOM 121 O O . PHE A 1 46 ? -42.660 -18.603 -38.224 1.00 74.09 ? 24 PHE A O 1 -ATOM 122 C CB . PHE A 1 46 ? -42.077 -20.965 -40.247 1.00 73.27 ? 24 PHE A CB 1 -ATOM 123 C CG . PHE A 1 46 ? -40.717 -20.819 -39.620 1.00 67.19 ? 24 PHE A CG 1 -ATOM 124 C CD1 . PHE A 1 46 ? -40.350 -21.595 -38.525 1.00 65.10 ? 24 PHE A CD1 1 -ATOM 125 C CD2 . PHE A 1 46 ? -39.781 -19.966 -40.174 1.00 64.51 ? 24 PHE A CD2 1 -ATOM 126 C CE1 . PHE A 1 46 ? -39.096 -21.483 -37.968 1.00 59.17 ? 24 PHE A CE1 1 -ATOM 127 C CE2 . PHE A 1 46 ? -38.512 -19.853 -39.626 1.00 71.22 ? 24 PHE A CE2 1 -ATOM 128 C CZ . PHE A 1 46 ? -38.169 -20.609 -38.521 1.00 57.77 ? 24 PHE A CZ 1 -ATOM 129 N N . ARG A 1 47 ? -44.202 -18.436 -39.845 1.00 77.97 ? 25 ARG A N 1 -ATOM 130 C CA . ARG A 1 47 ? -44.227 -16.958 -39.847 1.00 72.12 ? 25 ARG A CA 1 -ATOM 131 C C . ARG A 1 47 ? -44.605 -16.309 -38.498 1.00 66.12 ? 25 ARG A C 1 -ATOM 132 O O . ARG A 1 47 ? -43.949 -15.370 -38.054 1.00 65.27 ? 25 ARG A O 1 -ATOM 133 C CB . ARG A 1 47 ? -45.162 -16.453 -40.947 1.00 66.89 ? 25 ARG A CB 1 -ATOM 134 N N . ASN A 1 48 ? -45.666 -16.787 -37.855 1.00 76.47 ? 26 ASN A N 1 -ATOM 135 C CA . ASN A 1 48 ? -46.043 -16.264 -36.538 1.00 71.38 ? 26 ASN A CA 1 -ATOM 136 C C . ASN A 1 48 ? -45.375 -17.056 -35.440 1.00 75.93 ? 26 ASN A C 1 -ATOM 137 O O . ASN A 1 48 ? -45.729 -18.215 -35.197 1.00 67.30 ? 26 ASN A O 1 -ATOM 138 C CB . ASN A 1 48 ? -47.557 -16.300 -36.334 1.00 73.32 ? 26 ASN A CB 1 -ATOM 139 C CG . ASN A 1 48 ? -47.997 -15.607 -35.051 1.00 75.95 ? 26 ASN A CG 1 -ATOM 140 O OD1 . ASN A 1 48 ? -47.183 -15.276 -34.189 1.00 73.37 ? 26 ASN A OD1 1 -ATOM 141 N ND2 . ASN A 1 48 ? -49.301 -15.395 -34.918 1.00 82.71 ? 26 ASN A ND2 1 -ATOM 142 N N . PHE A 1 49 ? -44.453 -16.399 -34.740 1.00 77.29 ? 27 PHE A N 1 -ATOM 143 C CA . PHE A 1 49 ? -43.617 -17.063 -33.744 1.00 61.99 ? 27 PHE A CA 1 -ATOM 144 C C . PHE A 1 49 ? -44.398 -17.485 -32.513 1.00 72.06 ? 27 PHE A C 1 -ATOM 145 O O . PHE A 1 49 ? -44.363 -18.656 -32.116 1.00 70.64 ? 27 PHE A O 1 -ATOM 146 C CB . PHE A 1 49 ? -42.469 -16.153 -33.322 1.00 61.96 ? 27 PHE A CB 1 -ATOM 147 C CG . PHE A 1 49 ? -41.668 -16.687 -32.172 1.00 59.87 ? 27 PHE A CG 1 -ATOM 148 C CD1 . PHE A 1 49 ? -40.747 -17.701 -32.370 1.00 58.12 ? 27 PHE A CD1 1 -ATOM 149 C CD2 . PHE A 1 49 ? -41.823 -16.166 -30.894 1.00 63.64 ? 27 PHE A CD2 1 -ATOM 150 C CE1 . PHE A 1 49 ? -40.009 -18.200 -31.312 1.00 48.06 ? 27 PHE A CE1 1 -ATOM 151 C CE2 . PHE A 1 49 ? -41.083 -16.659 -29.832 1.00 46.39 ? 27 PHE A CE2 1 -ATOM 152 C CZ . PHE A 1 49 ? -40.176 -17.679 -30.044 1.00 49.35 ? 27 PHE A CZ 1 -ATOM 153 N N . SER A 1 50 ? -45.104 -16.535 -31.909 1.00 59.28 ? 28 SER A N 1 -ATOM 154 C CA . SER A 1 50 ? -45.823 -16.808 -30.673 1.00 53.12 ? 28 SER A CA 1 -ATOM 155 C C . SER A 1 50 ? -46.877 -17.893 -30.846 1.00 63.24 ? 28 SER A C 1 -ATOM 156 O O . SER A 1 50 ? -47.139 -18.661 -29.918 1.00 60.91 ? 28 SER A O 1 -ATOM 157 C CB . SER A 1 50 ? -46.462 -15.538 -30.135 1.00 56.23 ? 28 SER A CB 1 -ATOM 158 O OG . SER A 1 50 ? -45.487 -14.759 -29.461 1.00 70.88 ? 28 SER A OG 1 -ATOM 159 N N . ARG A 1 51 ? -47.495 -17.964 -32.016 1.00 64.00 ? 29 ARG A N 1 -ATOM 160 C CA . ARG A 1 51 ? -48.508 -18.993 -32.202 1.00 77.34 ? 29 ARG A CA 1 -ATOM 161 C C . ARG A 1 51 ? -47.862 -20.378 -32.340 1.00 67.37 ? 29 ARG A C 1 -ATOM 162 O O . ARG A 1 51 ? -48.422 -21.370 -31.867 1.00 64.02 ? 29 ARG A O 1 -ATOM 163 C CB . ARG A 1 51 ? -49.408 -18.700 -33.403 1.00 78.00 ? 29 ARG A CB 1 -ATOM 164 C CG . ARG A 1 51 ? -50.509 -19.747 -33.544 1.00 87.28 ? 29 ARG A CG 1 -ATOM 165 C CD . ARG A 1 51 ? -51.516 -19.411 -34.619 1.00 90.04 ? 29 ARG A CD 1 -ATOM 166 N NE . ARG A 1 51 ? -51.034 -18.362 -35.504 1.00 93.38 ? 29 ARG A NE 1 -ATOM 167 C CZ . ARG A 1 51 ? -51.801 -17.388 -35.981 1.00 103.97 ? 29 ARG A CZ 1 -ATOM 168 N NH1 . ARG A 1 51 ? -53.089 -17.343 -35.655 1.00 104.61 ? 29 ARG A NH1 1 -ATOM 169 N NH2 . ARG A 1 51 ? -51.285 -16.463 -36.787 1.00 98.31 ? 29 ARG A NH2 1 -ATOM 170 N N . TYR A 1 52 ? -46.674 -20.455 -32.937 1.00 61.24 ? 30 TYR A N 1 -ATOM 171 C CA . TYR A 1 52 ? -46.027 -21.765 -33.043 1.00 70.19 ? 30 TYR A CA 1 -ATOM 172 C C . TYR A 1 52 ? -45.566 -22.257 -31.659 1.00 68.65 ? 30 TYR A C 1 -ATOM 173 O O . TYR A 1 52 ? -45.611 -23.459 -31.364 1.00 62.36 ? 30 TYR A O 1 -ATOM 174 C CB . TYR A 1 52 ? -44.846 -21.753 -34.015 1.00 71.27 ? 30 TYR A CB 1 -ATOM 175 C CG . TYR A 1 52 ? -44.579 -23.151 -34.543 1.00 67.28 ? 30 TYR A CG 1 -ATOM 176 C CD1 . TYR A 1 52 ? -45.454 -23.740 -35.443 1.00 51.72 ? 30 TYR A CD1 1 -ATOM 177 C CD2 . TYR A 1 52 ? -43.500 -23.904 -34.086 1.00 67.33 ? 30 TYR A CD2 1 -ATOM 178 C CE1 . TYR A 1 52 ? -45.247 -25.026 -35.908 1.00 66.25 ? 30 TYR A CE1 1 -ATOM 179 C CE2 . TYR A 1 52 ? -43.280 -25.201 -34.551 1.00 59.15 ? 30 TYR A CE2 1 -ATOM 180 C CZ . TYR A 1 52 ? -44.160 -25.752 -35.462 1.00 71.45 ? 30 TYR A CZ 1 -ATOM 181 O OH . TYR A 1 52 ? -43.962 -27.034 -35.933 1.00 80.80 ? 30 TYR A OH 1 -ATOM 182 N N . ILE A 1 53 ? -45.104 -21.329 -30.823 1.00 68.44 ? 31 ILE A N 1 -ATOM 183 C CA . ILE A 1 53 ? -44.746 -21.657 -29.446 1.00 64.46 ? 31 ILE A CA 1 -ATOM 184 C C . ILE A 1 53 ? -45.945 -22.187 -28.691 1.00 60.36 ? 31 ILE A C 1 -ATOM 185 O O . ILE A 1 53 ? -45.851 -23.173 -27.959 1.00 56.19 ? 31 ILE A O 1 -ATOM 186 C CB . ILE A 1 53 ? -44.193 -20.442 -28.683 1.00 62.17 ? 31 ILE A CB 1 -ATOM 187 C CG1 . ILE A 1 53 ? -42.880 -19.964 -29.310 1.00 61.56 ? 31 ILE A CG1 1 -ATOM 188 C CG2 . ILE A 1 53 ? -43.980 -20.796 -27.220 1.00 59.07 ? 31 ILE A CG2 1 -ATOM 189 C CD1 . ILE A 1 53 ? -41.807 -21.056 -29.380 1.00 58.39 ? 31 ILE A CD1 1 -ATOM 190 N N . ALA A 1 54 ? -47.080 -21.527 -28.894 1.00 60.43 ? 32 ALA A N 1 -ATOM 191 C CA . ALA A 1 54 ? -48.339 -21.944 -28.292 1.00 63.42 ? 32 ALA A CA 1 -ATOM 192 C C . ALA A 1 54 ? -48.775 -23.316 -28.825 1.00 52.98 ? 32 ALA A C 1 -ATOM 193 O O . ALA A 1 54 ? -49.224 -24.162 -28.067 1.00 59.20 ? 32 ALA A O 1 -ATOM 194 C CB . ALA A 1 54 ? -49.413 -20.901 -28.560 1.00 57.38 ? 32 ALA A CB 1 -ATOM 195 N N . TYR A 1 55 ? -48.608 -23.521 -30.129 1.00 57.33 ? 33 TYR A N 1 -ATOM 196 C CA . TYR A 1 55 ? -48.889 -24.801 -30.777 1.00 67.53 ? 33 TYR A CA 1 -ATOM 197 C C . TYR A 1 55 ? -48.100 -25.959 -30.150 1.00 65.28 ? 33 TYR A C 1 -ATOM 198 O O . TYR A 1 55 ? -48.678 -26.973 -29.763 1.00 63.86 ? 33 TYR A O 1 -ATOM 199 C CB . TYR A 1 55 ? -48.573 -24.720 -32.281 1.00 60.09 ? 33 TYR A CB 1 -ATOM 200 C CG . TYR A 1 55 ? -48.541 -26.077 -32.959 1.00 67.59 ? 33 TYR A CG 1 -ATOM 201 C CD1 . TYR A 1 55 ? -49.723 -26.766 -33.251 1.00 73.76 ? 33 TYR A CD1 1 -ATOM 202 C CD2 . TYR A 1 55 ? -47.331 -26.689 -33.277 1.00 70.17 ? 33 TYR A CD2 1 -ATOM 203 C CE1 . TYR A 1 55 ? -49.698 -28.016 -33.859 1.00 62.61 ? 33 TYR A CE1 1 -ATOM 204 C CE2 . TYR A 1 55 ? -47.294 -27.949 -33.879 1.00 71.80 ? 33 TYR A CE2 1 -ATOM 205 C CZ . TYR A 1 55 ? -48.480 -28.608 -34.165 1.00 75.19 ? 33 TYR A CZ 1 -ATOM 206 O OH . TYR A 1 55 ? -48.445 -29.856 -34.762 1.00 67.89 ? 33 TYR A OH 1 -ATOM 207 N N . ILE A 1 56 ? -46.787 -25.806 -30.016 1.00 62.59 ? 34 ILE A N 1 -ATOM 208 C CA . ILE A 1 56 ? -45.985 -26.900 -29.482 1.00 54.26 ? 34 ILE A CA 1 -ATOM 209 C C . ILE A 1 56 ? -46.246 -27.159 -27.999 1.00 58.46 ? 34 ILE A C 1 -ATOM 210 O O . ILE A 1 56 ? -45.935 -28.234 -27.481 1.00 56.50 ? 34 ILE A O 1 -ATOM 211 C CB . ILE A 1 56 ? -44.486 -26.665 -29.709 1.00 52.70 ? 34 ILE A CB 1 -ATOM 212 C CG1 . ILE A 1 56 ? -43.944 -25.524 -28.864 1.00 54.06 ? 34 ILE A CG1 1 -ATOM 213 C CG2 . ILE A 1 56 ? -44.217 -26.415 -31.166 1.00 56.98 ? 34 ILE A CG2 1 -ATOM 214 C CD1 . ILE A 1 56 ? -42.465 -25.276 -29.128 1.00 55.69 ? 34 ILE A CD1 1 -ATOM 215 N N . GLU A 1 57 ? -46.809 -26.183 -27.300 1.00 59.62 ? 35 GLU A N 1 -ATOM 216 C CA . GLU A 1 57 ? -47.196 -26.415 -25.911 1.00 54.05 ? 35 GLU A CA 1 -ATOM 217 C C . GLU A 1 57 ? -48.526 -27.203 -25.838 1.00 56.12 ? 35 GLU A C 1 -ATOM 218 O O . GLU A 1 57 ? -48.777 -27.947 -24.888 1.00 46.61 ? 35 GLU A O 1 -ATOM 219 C CB . GLU A 1 57 ? -47.298 -25.084 -25.177 1.00 56.63 ? 35 GLU A CB 1 -ATOM 220 C CG . GLU A 1 57 ? -45.926 -24.400 -24.992 1.00 64.60 ? 35 GLU A CG 1 -ATOM 221 C CD . GLU A 1 57 ? -45.869 -23.483 -23.784 1.00 57.01 ? 35 GLU A CD 1 -ATOM 222 O OE1 . GLU A 1 57 ? -46.948 -23.129 -23.269 1.00 60.54 ? 35 GLU A OE1 1 -ATOM 223 O OE2 . GLU A 1 57 ? -44.750 -23.122 -23.341 1.00 57.12 ? 35 GLU A OE2 1 -ATOM 224 N N . SER A 1 58 ? -49.357 -27.074 -26.867 1.00 54.54 ? 36 SER A N 1 -ATOM 225 C CA . SER A 1 58 ? -50.582 -27.871 -26.929 1.00 67.45 ? 36 SER A CA 1 -ATOM 226 C C . SER A 1 58 ? -50.225 -29.311 -27.267 1.00 56.72 ? 36 SER A C 1 -ATOM 227 O O . SER A 1 58 ? -50.987 -30.232 -27.007 1.00 54.70 ? 36 SER A O 1 -ATOM 228 C CB . SER A 1 58 ? -51.538 -27.330 -27.978 1.00 58.02 ? 36 SER A CB 1 -ATOM 229 O OG . SER A 1 58 ? -50.902 -27.322 -29.243 1.00 66.79 ? 36 SER A OG 1 -ATOM 230 N N . GLN A 1 59 ? -49.042 -29.484 -27.840 1.00 61.72 ? 37 GLN A N 1 -ATOM 231 C CA . GLN A 1 59 ? -48.489 -30.799 -28.091 1.00 61.27 ? 37 GLN A CA 1 -ATOM 232 C C . GLN A 1 59 ? -47.688 -31.326 -26.909 1.00 62.55 ? 37 GLN A C 1 -ATOM 233 O O . GLN A 1 59 ? -47.118 -32.412 -26.997 1.00 65.95 ? 37 GLN A O 1 -ATOM 234 C CB . GLN A 1 59 ? -47.609 -30.769 -29.342 1.00 69.54 ? 37 GLN A CB 1 -ATOM 235 C CG . GLN A 1 59 ? -48.267 -30.145 -30.566 1.00 68.35 ? 37 GLN A CG 1 -ATOM 236 C CD . GLN A 1 59 ? -49.475 -30.931 -31.043 1.00 64.61 ? 37 GLN A CD 1 -ATOM 237 O OE1 . GLN A 1 59 ? -50.477 -31.053 -30.339 1.00 71.25 ? 37 GLN A OE1 1 -ATOM 238 N NE2 . GLN A 1 59 ? -49.375 -31.484 -32.241 1.00 56.30 ? 37 GLN A NE2 1 -ATOM 239 N N . GLY A 1 60 ? -47.612 -30.548 -25.827 1.00 62.89 ? 38 GLY A N 1 -ATOM 240 C CA . GLY A 1 60 ? -46.921 -30.972 -24.613 1.00 53.27 ? 38 GLY A CA 1 -ATOM 241 C C . GLY A 1 60 ? -45.391 -30.930 -24.656 1.00 55.43 ? 38 GLY A C 1 -ATOM 242 O O . GLY A 1 60 ? -44.731 -31.485 -23.772 1.00 51.79 ? 38 GLY A O 1 -ATOM 243 N N . ALA A 1 61 ? -44.827 -30.299 -25.687 1.00 51.33 ? 39 ALA A N 1 -ATOM 244 C CA . ALA A 1 61 ? -43.373 -30.145 -25.815 1.00 53.83 ? 39 ALA A CA 1 -ATOM 245 C C . ALA A 1 61 ? -42.744 -29.577 -24.553 1.00 55.42 ? 39 ALA A C 1 -ATOM 246 O O . ALA A 1 61 ? -41.613 -29.933 -24.190 1.00 56.81 ? 39 ALA A O 1 -ATOM 247 C CB . ALA A 1 61 ? -43.026 -29.249 -27.007 1.00 52.90 ? 39 ALA A CB 1 -ATOM 248 N N . HIS A 1 62 ? -43.500 -28.737 -23.855 1.00 44.73 ? 40 HIS A N 1 -ATOM 249 C CA . HIS A 1 62 ? -42.960 -27.996 -22.729 1.00 45.89 ? 40 HIS A CA 1 -ATOM 250 C C . HIS A 1 62 ? -42.692 -28.907 -21.552 1.00 51.46 ? 40 HIS A C 1 -ATOM 251 O O . HIS A 1 62 ? -41.955 -28.536 -20.641 1.00 52.54 ? 40 HIS A O 1 -ATOM 252 C CB . HIS A 1 62 ? -43.915 -26.861 -22.321 1.00 54.24 ? 40 HIS A CB 1 -ATOM 253 C CG . HIS A 1 62 ? -45.283 -27.332 -21.931 1.00 46.90 ? 40 HIS A CG 1 -ATOM 254 N ND1 . HIS A 1 62 ? -46.193 -27.809 -22.849 1.00 52.59 ? 40 HIS A ND1 1 -ATOM 255 C CD2 . HIS A 1 62 ? -45.883 -27.431 -20.722 1.00 57.13 ? 40 HIS A CD2 1 -ATOM 256 C CE1 . HIS A 1 62 ? -47.311 -28.146 -22.227 1.00 47.12 ? 40 HIS A CE1 1 -ATOM 257 N NE2 . HIS A 1 62 ? -47.145 -27.937 -20.934 1.00 55.64 ? 40 HIS A NE2 1 -ATOM 258 N N . ARG A 1 63 ? -43.274 -30.104 -21.574 1.00 50.69 ? 41 ARG A N 1 -ATOM 259 C CA . ARG A 1 63 ? -43.150 -31.016 -20.445 1.00 50.63 ? 41 ARG A CA 1 -ATOM 260 C C . ARG A 1 63 ? -41.733 -31.575 -20.360 1.00 47.28 ? 41 ARG A C 1 -ATOM 261 O O . ARG A 1 63 ? -41.319 -32.058 -19.303 1.00 55.95 ? 41 ARG A O 1 -ATOM 262 C CB . ARG A 1 63 ? -44.185 -32.159 -20.515 1.00 50.69 ? 41 ARG A CB 1 -ATOM 263 C CG . ARG A 1 63 ? -45.640 -31.669 -20.430 1.00 66.97 ? 41 ARG A CG 1 -ATOM 264 C CD . ARG A 1 63 ? -46.687 -32.788 -20.259 1.00 49.88 ? 41 ARG A CD 1 -ATOM 265 N NE . ARG A 1 63 ? -46.514 -33.506 -19.002 1.00 57.42 ? 41 ARG A NE 1 -ATOM 266 C CZ . ARG A 1 63 ? -47.211 -34.585 -18.662 1.00 64.98 ? 41 ARG A CZ 1 -ATOM 267 N NH1 . ARG A 1 63 ? -48.131 -35.064 -19.487 1.00 66.08 ? 41 ARG A NH1 1 -ATOM 268 N NH2 . ARG A 1 63 ? -46.996 -35.176 -17.494 1.00 57.62 ? 41 ARG A NH2 1 -ATOM 269 N N . ALA A 1 64 ? -40.998 -31.546 -21.465 1.00 36.57 ? 42 ALA A N 1 -ATOM 270 C CA . ALA A 1 64 ? -39.582 -31.977 -21.444 1.00 46.51 ? 42 ALA A CA 1 -ATOM 271 C C . ALA A 1 64 ? -38.621 -30.861 -21.008 1.00 43.98 ? 42 ALA A C 1 -ATOM 272 O O . ALA A 1 64 ? -37.477 -31.129 -20.656 1.00 47.66 ? 42 ALA A O 1 -ATOM 273 C CB . ALA A 1 64 ? -39.155 -32.501 -22.804 1.00 37.72 ? 42 ALA A CB 1 -ATOM 274 N N . GLY A 1 65 ? -39.071 -29.609 -21.059 1.00 50.43 ? 43 GLY A N 1 -ATOM 275 C CA . GLY A 1 65 ? -38.224 -28.484 -20.680 1.00 48.32 ? 43 GLY A CA 1 -ATOM 276 C C . GLY A 1 65 ? -37.439 -27.962 -21.864 1.00 50.70 ? 43 GLY A C 1 -ATOM 277 O O . GLY A 1 65 ? -36.857 -26.871 -21.811 1.00 46.22 ? 43 GLY A O 1 -ATOM 278 N N . LEU A 1 66 ? -37.465 -28.727 -22.954 1.00 46.60 ? 44 LEU A N 1 -ATOM 279 C CA . LEU A 1 66 ? -36.636 -28.447 -24.123 1.00 40.36 ? 44 LEU A CA 1 -ATOM 280 C C . LEU A 1 66 ? -37.236 -29.061 -25.378 1.00 47.85 ? 44 LEU A C 1 -ATOM 281 O O . LEU A 1 66 ? -37.622 -30.230 -25.374 1.00 52.86 ? 44 LEU A O 1 -ATOM 282 C CB . LEU A 1 66 ? -35.230 -29.007 -23.884 1.00 47.44 ? 44 LEU A CB 1 -ATOM 283 C CG . LEU A 1 66 ? -34.079 -28.769 -24.845 1.00 45.32 ? 44 LEU A CG 1 -ATOM 284 C CD1 . LEU A 1 66 ? -33.741 -27.310 -24.918 1.00 50.58 ? 44 LEU A CD1 1 -ATOM 285 C CD2 . LEU A 1 66 ? -32.847 -29.585 -24.380 1.00 43.70 ? 44 LEU A CD2 1 -ATOM 286 N N . ALA A 1 67 ? -37.283 -28.292 -26.460 1.00 48.93 ? 45 ALA A N 1 -ATOM 287 C CA . ALA A 1 67 ? -37.802 -28.782 -27.733 1.00 40.37 ? 45 ALA A CA 1 -ATOM 288 C C . ALA A 1 67 ? -36.908 -28.279 -28.852 1.00 50.29 ? 45 ALA A C 1 -ATOM 289 O O . ALA A 1 67 ? -36.360 -27.181 -28.768 1.00 49.09 ? 45 ALA A O 1 -ATOM 290 C CB . ALA A 1 67 ? -39.246 -28.320 -27.944 1.00 37.70 ? 45 ALA A CB 1 -ATOM 291 N N . LYS A 1 68 ? -36.789 -29.059 -29.918 1.00 52.16 ? 46 LYS A N 1 -ATOM 292 C CA . LYS A 1 68 ? -35.987 -28.645 -31.072 1.00 56.90 ? 46 LYS A CA 1 -ATOM 293 C C . LYS A 1 68 ? -36.886 -28.291 -32.228 1.00 55.77 ? 46 LYS A C 1 -ATOM 294 O O . LYS A 1 68 ? -37.865 -28.980 -32.469 1.00 50.41 ? 46 LYS A O 1 -ATOM 295 C CB . LYS A 1 68 ? -35.037 -29.755 -31.515 1.00 53.49 ? 46 LYS A CB 1 -ATOM 296 C CG . LYS A 1 68 ? -34.332 -29.435 -32.813 1.00 52.49 ? 46 LYS A CG 1 -ATOM 297 C CD . LYS A 1 68 ? -33.764 -30.688 -33.448 1.00 64.42 ? 46 LYS A CD 1 -ATOM 298 C CE . LYS A 1 68 ? -32.722 -31.309 -32.553 1.00 57.19 ? 46 LYS A CE 1 -ATOM 299 N NZ . LYS A 1 68 ? -32.015 -32.429 -33.226 1.00 68.34 ? 46 LYS A NZ 1 -ATOM 300 N N . VAL A 1 69 ? -36.562 -27.229 -32.960 1.00 55.25 ? 47 VAL A N 1 -ATOM 301 C CA . VAL A 1 69 ? -37.417 -26.863 -34.075 1.00 52.81 ? 47 VAL A CA 1 -ATOM 302 C C . VAL A 1 69 ? -36.620 -26.700 -35.336 1.00 60.74 ? 47 VAL A C 1 -ATOM 303 O O . VAL A 1 69 ? -35.653 -25.936 -35.373 1.00 58.22 ? 47 VAL A O 1 -ATOM 304 C CB . VAL A 1 69 ? -38.185 -25.574 -33.804 1.00 52.78 ? 47 VAL A CB 1 -ATOM 305 C CG1 . VAL A 1 69 ? -38.914 -25.151 -35.056 1.00 56.53 ? 47 VAL A CG1 1 -ATOM 306 C CG2 . VAL A 1 69 ? -39.173 -25.798 -32.692 1.00 57.08 ? 47 VAL A CG2 1 -ATOM 307 N N . VAL A 1 70 ? -37.019 -27.430 -36.372 1.00 62.43 ? 48 VAL A N 1 -ATOM 308 C CA . VAL A 1 70 ? -36.303 -27.378 -37.639 1.00 67.44 ? 48 VAL A CA 1 -ATOM 309 C C . VAL A 1 70 ? -37.068 -26.540 -38.664 1.00 68.01 ? 48 VAL A C 1 -ATOM 310 O O . VAL A 1 70 ? -38.180 -26.900 -39.064 1.00 77.16 ? 48 VAL A O 1 -ATOM 311 C CB . VAL A 1 70 ? -36.057 -28.798 -38.182 1.00 69.81 ? 48 VAL A CB 1 -ATOM 312 C CG1 . VAL A 1 70 ? -35.117 -28.755 -39.379 1.00 65.81 ? 48 VAL A CG1 1 -ATOM 313 C CG2 . VAL A 1 70 ? -35.496 -29.678 -37.069 1.00 59.97 ? 48 VAL A CG2 1 -ATOM 314 N N . PRO A 1 71 ? -36.478 -25.407 -39.078 1.00 64.51 ? 49 PRO A N 1 -ATOM 315 C CA . PRO A 1 71 ? -37.156 -24.500 -40.005 1.00 69.35 ? 49 PRO A CA 1 -ATOM 316 C C . PRO A 1 71 ? -37.236 -25.113 -41.392 1.00 80.80 ? 49 PRO A C 1 -ATOM 317 O O . PRO A 1 71 ? -36.437 -26.003 -41.689 1.00 84.37 ? 49 PRO A O 1 -ATOM 318 C CB . PRO A 1 71 ? -36.262 -23.251 -39.998 1.00 59.58 ? 49 PRO A CB 1 -ATOM 319 C CG . PRO A 1 71 ? -34.928 -23.748 -39.605 1.00 63.12 ? 49 PRO A CG 1 -ATOM 320 C CD . PRO A 1 71 ? -35.156 -24.898 -38.673 1.00 62.90 ? 49 PRO A CD 1 -ATOM 321 N N . PRO A 1 72 ? -38.190 -24.659 -42.223 1.00 82.20 ? 50 PRO A N 1 -ATOM 322 C CA . PRO A 1 72 ? -38.289 -25.200 -43.579 1.00 77.42 ? 50 PRO A CA 1 -ATOM 323 C C . PRO A 1 72 ? -36.990 -24.952 -44.322 1.00 82.48 ? 50 PRO A C 1 -ATOM 324 O O . PRO A 1 72 ? -36.309 -23.970 -44.010 1.00 74.70 ? 50 PRO A O 1 -ATOM 325 C CB . PRO A 1 72 ? -39.442 -24.408 -44.196 1.00 84.04 ? 50 PRO A CB 1 -ATOM 326 C CG . PRO A 1 72 ? -40.219 -23.877 -43.021 1.00 76.91 ? 50 PRO A CG 1 -ATOM 327 C CD . PRO A 1 72 ? -39.197 -23.612 -41.971 1.00 83.66 ? 50 PRO A CD 1 -ATOM 328 N N . LYS A 1 73 ? -36.674 -25.805 -45.296 1.00 88.02 ? 51 LYS A N 1 -ATOM 329 C CA . LYS A 1 73 ? -35.439 -25.688 -46.074 1.00 87.98 ? 51 LYS A CA 1 -ATOM 330 C C . LYS A 1 73 ? -35.435 -24.401 -46.898 1.00 87.77 ? 51 LYS A C 1 -ATOM 331 O O . LYS A 1 73 ? -34.381 -23.917 -47.323 1.00 81.72 ? 51 LYS A O 1 -ATOM 332 C CB . LYS A 1 73 ? -35.257 -26.908 -46.983 1.00 77.57 ? 51 LYS A CB 1 -ATOM 333 N N . GLU A 1 74 ? -36.627 -23.849 -47.105 1.00 82.55 ? 52 GLU A N 1 -ATOM 334 C CA . GLU A 1 74 ? -36.790 -22.629 -47.874 1.00 87.07 ? 52 GLU A CA 1 -ATOM 335 C C . GLU A 1 74 ? -36.299 -21.397 -47.112 1.00 85.55 ? 52 GLU A C 1 -ATOM 336 O O . GLU A 1 74 ? -36.248 -20.305 -47.675 1.00 91.69 ? 52 GLU A O 1 -ATOM 337 C CB . GLU A 1 74 ? -38.265 -22.455 -48.262 1.00 82.24 ? 52 GLU A CB 1 -ATOM 338 N N . TRP A 1 75 ? -35.914 -21.579 -45.847 1.00 87.76 ? 53 TRP A N 1 -ATOM 339 C CA . TRP A 1 75 ? -35.585 -20.449 -44.967 1.00 87.30 ? 53 TRP A CA 1 -ATOM 340 C C . TRP A 1 75 ? -34.100 -20.314 -44.616 1.00 86.70 ? 53 TRP A C 1 -ATOM 341 O O . TRP A 1 75 ? -33.399 -21.306 -44.415 1.00 91.03 ? 53 TRP A O 1 -ATOM 342 C CB . TRP A 1 75 ? -36.395 -20.545 -43.671 1.00 82.13 ? 53 TRP A CB 1 -ATOM 343 C CG . TRP A 1 75 ? -36.176 -19.382 -42.743 1.00 86.26 ? 53 TRP A CG 1 -ATOM 344 C CD1 . TRP A 1 75 ? -36.769 -18.155 -42.812 1.00 83.02 ? 53 TRP A CD1 1 -ATOM 345 C CD2 . TRP A 1 75 ? -35.313 -19.345 -41.596 1.00 87.05 ? 53 TRP A CD2 1 -ATOM 346 N NE1 . TRP A 1 75 ? -36.325 -17.354 -41.783 1.00 82.67 ? 53 TRP A NE1 1 -ATOM 347 C CE2 . TRP A 1 75 ? -35.434 -18.062 -41.023 1.00 79.06 ? 53 TRP A CE2 1 -ATOM 348 C CE3 . TRP A 1 75 ? -34.451 -20.272 -41.000 1.00 81.93 ? 53 TRP A CE3 1 -ATOM 349 C CZ2 . TRP A 1 75 ? -34.722 -17.681 -39.893 1.00 73.12 ? 53 TRP A CZ2 1 -ATOM 350 C CZ3 . TRP A 1 75 ? -33.741 -19.889 -39.878 1.00 78.44 ? 53 TRP A CZ3 1 -ATOM 351 C CH2 . TRP A 1 75 ? -33.883 -18.606 -39.335 1.00 78.12 ? 53 TRP A CH2 1 -ATOM 352 N N . LYS A 1 76 ? -33.627 -19.074 -44.549 1.00 81.59 ? 54 LYS A N 1 -ATOM 353 C CA . LYS A 1 76 ? -32.249 -18.805 -44.147 1.00 86.69 ? 54 LYS A CA 1 -ATOM 354 C C . LYS A 1 76 ? -32.108 -17.379 -43.601 1.00 84.40 ? 54 LYS A C 1 -ATOM 355 O O . LYS A 1 76 ? -32.545 -16.421 -44.238 1.00 85.07 ? 54 LYS A O 1 -ATOM 356 C CB . LYS A 1 76 ? -31.291 -19.032 -45.320 1.00 85.06 ? 54 LYS A CB 1 -ATOM 357 N N . PRO A 1 77 ? -31.482 -17.238 -42.421 1.00 84.96 ? 55 PRO A N 1 -ATOM 358 C CA . PRO A 1 77 ? -31.394 -15.953 -41.712 1.00 75.77 ? 55 PRO A CA 1 -ATOM 359 C C . PRO A 1 77 ? -30.286 -15.030 -42.209 1.00 73.08 ? 55 PRO A C 1 -ATOM 360 O O . PRO A 1 77 ? -30.274 -13.858 -41.829 1.00 72.85 ? 55 PRO A O 1 -ATOM 361 C CB . PRO A 1 77 ? -31.129 -16.375 -40.264 1.00 78.25 ? 55 PRO A CB 1 -ATOM 362 C CG . PRO A 1 77 ? -30.387 -17.672 -40.386 1.00 82.61 ? 55 PRO A CG 1 -ATOM 363 C CD . PRO A 1 77 ? -30.909 -18.350 -41.636 1.00 79.06 ? 55 PRO A CD 1 -ATOM 364 N N . ARG A 1 78 ? -29.355 -15.548 -43.007 1.00 76.78 ? 56 ARG A N 1 -ATOM 365 C CA . ARG A 1 78 ? -28.250 -14.728 -43.506 1.00 77.35 ? 56 ARG A CA 1 -ATOM 366 C C . ARG A 1 78 ? -27.637 -15.349 -44.753 1.00 84.01 ? 56 ARG A C 1 -ATOM 367 O O . ARG A 1 78 ? -27.478 -16.568 -44.831 1.00 83.03 ? 56 ARG A O 1 -ATOM 368 C CB . ARG A 1 78 ? -27.168 -14.554 -42.439 1.00 75.12 ? 56 ARG A CB 1 -ATOM 369 C CG . ARG A 1 78 ? -26.070 -13.578 -42.818 1.00 71.68 ? 56 ARG A CG 1 -ATOM 370 C CD . ARG A 1 78 ? -24.929 -13.644 -41.830 1.00 75.99 ? 56 ARG A CD 1 -ATOM 371 N NE . ARG A 1 78 ? -23.895 -12.647 -42.090 1.00 75.93 ? 56 ARG A NE 1 -ATOM 372 C CZ . ARG A 1 78 ? -23.873 -11.445 -41.521 1.00 80.74 ? 56 ARG A CZ 1 -ATOM 373 N NH1 . ARG A 1 78 ? -24.835 -11.092 -40.674 1.00 71.56 ? 56 ARG A NH1 1 -ATOM 374 N NH2 . ARG A 1 78 ? -22.895 -10.592 -41.798 1.00 87.15 ? 56 ARG A NH2 1 -ATOM 375 N N . ALA A 1 79 ? -27.275 -14.487 -45.705 1.00 91.71 ? 57 ALA A N 1 -ATOM 376 C CA . ALA A 1 79 ? -26.686 -14.881 -46.984 1.00 83.37 ? 57 ALA A CA 1 -ATOM 377 C C . ALA A 1 79 ? -25.447 -15.757 -46.808 1.00 84.00 ? 57 ALA A C 1 -ATOM 378 O O . ALA A 1 79 ? -25.454 -16.938 -47.159 1.00 89.05 ? 57 ALA A O 1 -ATOM 379 C CB . ALA A 1 79 ? -26.341 -13.648 -47.792 1.00 85.17 ? 57 ALA A CB 1 -ATOM 380 N N . SER A 1 80 ? -24.380 -15.170 -46.276 1.00 82.98 ? 58 SER A N 1 -ATOM 381 C CA . SER A 1 80 ? -23.193 -15.945 -45.933 1.00 87.51 ? 58 SER A CA 1 -ATOM 382 C C . SER A 1 80 ? -22.454 -15.400 -44.705 1.00 87.26 ? 58 SER A C 1 -ATOM 383 O O . SER A 1 80 ? -22.484 -14.196 -44.411 1.00 77.59 ? 58 SER A O 1 -ATOM 384 C CB . SER A 1 80 ? -22.238 -16.002 -47.126 1.00 87.95 ? 58 SER A CB 1 -ATOM 385 O OG . SER A 1 80 ? -21.318 -14.927 -47.085 1.00 87.01 ? 58 SER A OG 1 -ATOM 386 N N . TYR A 1 81 ? -21.771 -16.310 -44.015 1.00 87.35 ? 59 TYR A N 1 -ATOM 387 C CA . TYR A 1 81 ? -20.999 -15.998 -42.815 1.00 83.38 ? 59 TYR A CA 1 -ATOM 388 C C . TYR A 1 81 ? -19.513 -15.820 -43.152 1.00 88.98 ? 59 TYR A C 1 -ATOM 389 O O . TYR A 1 81 ? -18.704 -16.676 -42.807 1.00 86.44 ? 59 TYR A O 1 -ATOM 390 C CB . TYR A 1 81 ? -21.172 -17.113 -41.771 1.00 68.97 ? 59 TYR A CB 1 -ATOM 391 C CG . TYR A 1 81 ? -22.618 -17.493 -41.478 1.00 65.29 ? 59 TYR A CG 1 -ATOM 392 C CD1 . TYR A 1 81 ? -23.416 -16.721 -40.642 1.00 66.66 ? 59 TYR A CD1 1 -ATOM 393 C CD2 . TYR A 1 81 ? -23.183 -18.628 -42.045 1.00 69.91 ? 59 TYR A CD2 1 -ATOM 394 C CE1 . TYR A 1 81 ? -24.735 -17.069 -40.376 1.00 61.09 ? 59 TYR A CE1 1 -ATOM 395 C CE2 . TYR A 1 81 ? -24.496 -18.983 -41.789 1.00 66.08 ? 59 TYR A CE2 1 -ATOM 396 C CZ . TYR A 1 81 ? -25.270 -18.203 -40.952 1.00 66.96 ? 59 TYR A CZ 1 -ATOM 397 O OH . TYR A 1 81 ? -26.578 -18.570 -40.695 1.00 63.90 ? 59 TYR A OH 1 -ATOM 398 N N . ASP A 1 82 ? -19.161 -14.727 -43.835 1.00 85.30 ? 60 ASP A N 1 -ATOM 399 C CA . ASP A 1 82 ? -17.788 -14.512 -44.315 1.00 84.33 ? 60 ASP A CA 1 -ATOM 400 C C . ASP A 1 82 ? -17.204 -13.224 -43.766 1.00 84.64 ? 60 ASP A C 1 -ATOM 401 O O . ASP A 1 82 ? -15.989 -13.087 -43.622 1.00 85.55 ? 60 ASP A O 1 -ATOM 402 C CB . ASP A 1 82 ? -17.732 -14.501 -45.843 1.00 89.96 ? 60 ASP A CB 1 -ATOM 403 C CG . ASP A 1 82 ? -18.452 -15.693 -46.465 1.00 99.98 ? 60 ASP A CG 1 -ATOM 404 O OD1 . ASP A 1 82 ? -18.418 -16.800 -45.870 1.00 96.43 ? 60 ASP A OD1 1 -ATOM 405 O OD2 . ASP A 1 82 ? -19.050 -15.524 -47.551 1.00 96.45 ? 60 ASP A OD2 1 -ATOM 406 N N . ASP A 1 83 ? -18.088 -12.278 -43.486 1.00 85.24 ? 61 ASP A N 1 -ATOM 407 C CA . ASP A 1 83 ? -17.724 -11.003 -42.888 1.00 86.61 ? 61 ASP A CA 1 -ATOM 408 C C . ASP A 1 83 ? -17.122 -11.219 -41.505 1.00 85.07 ? 61 ASP A C 1 -ATOM 409 O O . ASP A 1 83 ? -16.395 -10.366 -40.974 1.00 78.15 ? 61 ASP A O 1 -ATOM 410 C CB . ASP A 1 83 ? -18.952 -10.091 -42.787 1.00 87.41 ? 61 ASP A CB 1 -ATOM 411 N N . ILE A 1 84 ? -17.427 -12.382 -40.939 1.00 78.01 ? 62 ILE A N 1 -ATOM 412 C CA . ILE A 1 84 ? -17.334 -12.596 -39.506 1.00 65.99 ? 62 ILE A CA 1 -ATOM 413 C C . ILE A 1 84 ? -15.917 -12.647 -38.951 1.00 73.59 ? 62 ILE A C 1 -ATOM 414 O O . ILE A 1 84 ? -15.700 -12.255 -37.807 1.00 74.42 ? 62 ILE A O 1 -ATOM 415 C CB . ILE A 1 84 ? -18.052 -13.920 -39.147 1.00 72.09 ? 62 ILE A CB 1 -ATOM 416 C CG1 . ILE A 1 84 ? -19.353 -14.043 -39.939 1.00 78.08 ? 62 ILE A CG1 1 -ATOM 417 C CG2 . ILE A 1 84 ? -18.321 -14.031 -37.660 1.00 72.56 ? 62 ILE A CG2 1 -ATOM 418 C CD1 . ILE A 1 84 ? -20.267 -12.820 -39.836 1.00 78.29 ? 62 ILE A CD1 1 -ATOM 419 N N . ASP A 1 85 ? -14.942 -13.035 -39.770 1.00 69.71 ? 63 ASP A N 1 -ATOM 420 C CA . ASP A 1 85 ? -13.574 -13.210 -39.278 1.00 69.13 ? 63 ASP A CA 1 -ATOM 421 C C . ASP A 1 85 ? -12.995 -11.959 -38.601 1.00 77.84 ? 63 ASP A C 1 -ATOM 422 O O . ASP A 1 85 ? -12.090 -12.057 -37.779 1.00 79.97 ? 63 ASP A O 1 -ATOM 423 C CB . ASP A 1 85 ? -12.658 -13.646 -40.422 1.00 85.20 ? 63 ASP A CB 1 -ATOM 424 N N . ASP A 1 86 ? -13.531 -10.786 -38.926 1.00 77.89 ? 64 ASP A N 1 -ATOM 425 C CA . ASP A 1 86 ? -13.001 -9.552 -38.372 1.00 67.84 ? 64 ASP A CA 1 -ATOM 426 C C . ASP A 1 86 ? -13.742 -9.147 -37.107 1.00 68.72 ? 64 ASP A C 1 -ATOM 427 O O . ASP A 1 86 ? -13.325 -8.238 -36.393 1.00 77.84 ? 64 ASP A O 1 -ATOM 428 C CB . ASP A 1 86 ? -13.084 -8.428 -39.415 1.00 78.55 ? 64 ASP A CB 1 -ATOM 429 N N . LEU A 1 87 ? -14.820 -9.858 -36.804 1.00 77.89 ? 65 LEU A N 1 -ATOM 430 C CA . LEU A 1 87 ? -15.633 -9.548 -35.630 1.00 70.07 ? 65 LEU A CA 1 -ATOM 431 C C . LEU A 1 87 ? -14.905 -9.845 -34.317 1.00 73.30 ? 65 LEU A C 1 -ATOM 432 O O . LEU A 1 87 ? -14.215 -10.862 -34.187 1.00 74.49 ? 65 LEU A O 1 -ATOM 433 C CB . LEU A 1 87 ? -16.952 -10.318 -35.700 1.00 65.09 ? 65 LEU A CB 1 -ATOM 434 C CG . LEU A 1 87 ? -17.912 -10.255 -34.512 1.00 73.85 ? 65 LEU A CG 1 -ATOM 435 C CD1 . LEU A 1 87 ? -18.367 -8.834 -34.222 1.00 76.06 ? 65 LEU A CD1 1 -ATOM 436 C CD2 . LEU A 1 87 ? -19.106 -11.141 -34.811 1.00 72.93 ? 65 LEU A CD2 1 -ATOM 437 N N . VAL A 1 88 ? -15.105 -8.975 -33.333 1.00 67.72 ? 66 VAL A N 1 -ATOM 438 C CA . VAL A 1 88 ? -14.423 -9.082 -32.050 1.00 64.50 ? 66 VAL A CA 1 -ATOM 439 C C . VAL A 1 88 ? -15.215 -9.776 -30.933 1.00 75.76 ? 66 VAL A C 1 -ATOM 440 O O . VAL A 1 88 ? -16.417 -9.549 -30.750 1.00 65.09 ? 66 VAL A O 1 -ATOM 441 C CB . VAL A 1 88 ? -14.052 -7.692 -31.524 1.00 73.21 ? 66 VAL A CB 1 -ATOM 442 C CG1 . VAL A 1 88 ? -13.163 -7.811 -30.295 1.00 74.63 ? 66 VAL A CG1 1 -ATOM 443 C CG2 . VAL A 1 88 ? -13.384 -6.865 -32.617 1.00 71.69 ? 66 VAL A CG2 1 -ATOM 444 N N . ILE A 1 89 ? -14.511 -10.640 -30.204 1.00 71.72 ? 67 ILE A N 1 -ATOM 445 C CA . ILE A 1 89 ? -14.986 -11.210 -28.955 1.00 62.76 ? 67 ILE A CA 1 -ATOM 446 C C . ILE A 1 89 ? -14.374 -10.437 -27.795 1.00 66.23 ? 67 ILE A C 1 -ATOM 447 O O . ILE A 1 89 ? -13.206 -10.622 -27.468 1.00 72.57 ? 67 ILE A O 1 -ATOM 448 C CB . ILE A 1 89 ? -14.617 -12.679 -28.834 1.00 60.79 ? 67 ILE A CB 1 -ATOM 449 C CG1 . ILE A 1 89 ? -15.193 -13.467 -30.003 1.00 56.21 ? 67 ILE A CG1 1 -ATOM 450 C CG2 . ILE A 1 89 ? -15.113 -13.233 -27.529 1.00 63.86 ? 67 ILE A CG2 1 -ATOM 451 C CD1 . ILE A 1 89 ? -14.568 -14.839 -30.147 1.00 58.06 ? 67 ILE A CD1 1 -ATOM 452 N N . PRO A 1 90 ? -15.160 -9.558 -27.168 1.00 66.62 ? 68 PRO A N 1 -ATOM 453 C CA . PRO A 1 90 ? -14.615 -8.610 -26.193 1.00 64.69 ? 68 PRO A CA 1 -ATOM 454 C C . PRO A 1 90 ? -14.024 -9.313 -24.984 1.00 73.58 ? 68 PRO A C 1 -ATOM 455 O O . PRO A 1 90 ? -13.022 -8.853 -24.432 1.00 73.09 ? 68 PRO A O 1 -ATOM 456 C CB . PRO A 1 90 ? -15.833 -7.768 -25.789 1.00 56.83 ? 68 PRO A CB 1 -ATOM 457 C CG . PRO A 1 90 ? -16.867 -8.057 -26.810 1.00 66.36 ? 68 PRO A CG 1 -ATOM 458 C CD . PRO A 1 90 ? -16.618 -9.447 -27.284 1.00 66.80 ? 68 PRO A CD 1 -ATOM 459 N N . ALA A 1 91 ? -14.665 -10.402 -24.562 1.00 75.78 ? 69 ALA A N 1 -ATOM 460 C CA . ALA A 1 91 ? -14.306 -11.062 -23.315 1.00 67.95 ? 69 ALA A CA 1 -ATOM 461 C C . ALA A 1 91 ? -14.255 -12.584 -23.445 1.00 65.94 ? 69 ALA A C 1 -ATOM 462 O O . ALA A 1 91 ? -15.169 -13.272 -22.996 1.00 62.71 ? 69 ALA A O 1 -ATOM 463 C CB . ALA A 1 91 ? -15.291 -10.656 -22.226 1.00 69.17 ? 69 ALA A CB 1 -ATOM 464 N N . PRO A 1 92 ? -13.210 -13.124 -24.094 1.00 74.09 ? 70 PRO A N 1 -ATOM 465 C CA . PRO A 1 92 ? -13.113 -14.592 -24.135 1.00 66.24 ? 70 PRO A CA 1 -ATOM 466 C C . PRO A 1 92 ? -12.981 -15.190 -22.724 1.00 67.95 ? 70 PRO A C 1 -ATOM 467 O O . PRO A 1 92 ? -12.270 -14.626 -21.887 1.00 65.20 ? 70 PRO A O 1 -ATOM 468 C CB . PRO A 1 92 ? -11.844 -14.842 -24.962 1.00 70.79 ? 70 PRO A CB 1 -ATOM 469 C CG . PRO A 1 92 ? -11.654 -13.606 -25.767 1.00 71.02 ? 70 PRO A CG 1 -ATOM 470 C CD . PRO A 1 92 ? -12.155 -12.478 -24.891 1.00 70.48 ? 70 PRO A CD 1 -ATOM 471 N N . ILE A 1 93 ? -13.615 -16.337 -22.486 1.00 61.10 ? 71 ILE A N 1 -ATOM 472 C CA . ILE A 1 93 ? -13.643 -16.957 -21.160 1.00 58.37 ? 71 ILE A CA 1 -ATOM 473 C C . ILE A 1 93 ? -12.932 -18.311 -21.218 1.00 55.55 ? 71 ILE A C 1 -ATOM 474 O O . ILE A 1 93 ? -13.289 -19.157 -22.037 1.00 53.20 ? 71 ILE A O 1 -ATOM 475 C CB . ILE A 1 93 ? -15.109 -17.138 -20.658 1.00 58.39 ? 71 ILE A CB 1 -ATOM 476 C CG1 . ILE A 1 93 ? -15.720 -15.803 -20.205 1.00 59.36 ? 71 ILE A CG1 1 -ATOM 477 C CG2 . ILE A 1 93 ? -15.200 -18.197 -19.580 1.00 59.94 ? 71 ILE A CG2 1 -ATOM 478 C CD1 . ILE A 1 93 ? -15.053 -15.164 -19.007 1.00 54.43 ? 71 ILE A CD1 1 -ATOM 479 N N . GLN A 1 94 ? -11.900 -18.514 -20.401 1.00 53.10 ? 72 GLN A N 1 -ATOM 480 C CA . GLN A 1 94 ? -11.284 -19.843 -20.348 1.00 58.54 ? 72 GLN A CA 1 -ATOM 481 C C . GLN A 1 94 ? -11.914 -20.677 -19.242 1.00 57.63 ? 72 GLN A C 1 -ATOM 482 O O . GLN A 1 94 ? -11.818 -20.336 -18.061 1.00 54.26 ? 72 GLN A O 1 -ATOM 483 C CB . GLN A 1 94 ? -9.776 -19.767 -20.141 1.00 56.46 ? 72 GLN A CB 1 -ATOM 484 C CG . GLN A 1 94 ? -9.078 -21.120 -20.319 1.00 58.37 ? 72 GLN A CG 1 -ATOM 485 C CD . GLN A 1 94 ? -7.556 -20.990 -20.336 1.00 68.28 ? 72 GLN A CD 1 -ATOM 486 O OE1 . GLN A 1 94 ? -6.998 -20.159 -19.621 1.00 61.89 ? 72 GLN A OE1 1 -ATOM 487 N NE2 . GLN A 1 94 ? -6.883 -21.818 -21.143 1.00 54.63 ? 72 GLN A NE2 1 -ATOM 488 N N . GLN A 1 95 ? -12.552 -21.772 -19.643 1.00 54.67 ? 73 GLN A N 1 -ATOM 489 C CA . GLN A 1 95 ? -13.294 -22.642 -18.730 1.00 51.21 ? 73 GLN A CA 1 -ATOM 490 C C . GLN A 1 95 ? -12.409 -23.663 -18.045 1.00 55.37 ? 73 GLN A C 1 -ATOM 491 O O . GLN A 1 95 ? -12.028 -24.664 -18.646 1.00 51.02 ? 73 GLN A O 1 -ATOM 492 C CB . GLN A 1 95 ? -14.422 -23.356 -19.486 1.00 44.33 ? 73 GLN A CB 1 -ATOM 493 C CG . GLN A 1 95 ? -15.475 -22.383 -20.014 1.00 53.36 ? 73 GLN A CG 1 -ATOM 494 C CD . GLN A 1 95 ? -16.665 -23.088 -20.593 1.00 43.44 ? 73 GLN A CD 1 -ATOM 495 O OE1 . GLN A 1 95 ? -16.525 -24.141 -21.207 1.00 49.23 ? 73 GLN A OE1 1 -ATOM 496 N NE2 . GLN A 1 95 ? -17.865 -22.553 -20.337 1.00 52.20 ? 73 GLN A NE2 1 -ATOM 497 N N . LEU A 1 96 ? -12.070 -23.403 -16.787 1.00 49.82 ? 74 LEU A N 1 -ATOM 498 C CA . LEU A 1 96 ? -11.355 -24.398 -16.012 1.00 55.42 ? 74 LEU A CA 1 -ATOM 499 C C . LEU A 1 96 ? -12.329 -25.224 -15.144 1.00 54.46 ? 74 LEU A C 1 -ATOM 500 O O . LEU A 1 96 ? -13.190 -24.680 -14.468 1.00 51.30 ? 74 LEU A O 1 -ATOM 501 C CB . LEU A 1 96 ? -10.284 -23.715 -15.167 1.00 50.90 ? 74 LEU A CB 1 -ATOM 502 C CG . LEU A 1 96 ? -9.168 -24.669 -14.729 1.00 61.40 ? 74 LEU A CG 1 -ATOM 503 C CD1 . LEU A 1 96 ? -7.837 -23.995 -14.862 1.00 65.72 ? 74 LEU A CD1 1 -ATOM 504 C CD2 . LEU A 1 96 ? -9.341 -25.155 -13.295 1.00 67.19 ? 74 LEU A CD2 1 -ATOM 505 N N . VAL A 1 97 ? -12.188 -26.542 -15.174 1.00 42.10 ? 75 VAL A N 1 -ATOM 506 C CA . VAL A 1 97 ? -13.117 -27.423 -14.480 1.00 38.65 ? 75 VAL A CA 1 -ATOM 507 C C . VAL A 1 97 ? -12.403 -28.293 -13.439 1.00 54.35 ? 75 VAL A C 1 -ATOM 508 O O . VAL A 1 97 ? -11.411 -28.974 -13.719 1.00 48.46 ? 75 VAL A O 1 -ATOM 509 C CB . VAL A 1 97 ? -13.881 -28.315 -15.452 1.00 44.42 ? 75 VAL A CB 1 -ATOM 510 C CG1 . VAL A 1 97 ? -14.770 -29.264 -14.688 1.00 56.17 ? 75 VAL A CG1 1 -ATOM 511 C CG2 . VAL A 1 97 ? -14.741 -27.476 -16.376 1.00 47.71 ? 75 VAL A CG2 1 -ATOM 512 N N . THR A 1 98 ? -12.904 -28.222 -12.216 1.00 50.46 ? 76 THR A N 1 -ATOM 513 C CA . THR A 1 98 ? -12.413 -29.025 -11.120 1.00 47.07 ? 76 THR A CA 1 -ATOM 514 C C . THR A 1 98 ? -13.524 -29.974 -10.668 1.00 56.85 ? 76 THR A C 1 -ATOM 515 O O . THR A 1 98 ? -14.712 -29.612 -10.671 1.00 51.85 ? 76 THR A O 1 -ATOM 516 C CB . THR A 1 98 ? -11.962 -28.136 -9.940 1.00 55.28 ? 76 THR A CB 1 -ATOM 517 O OG1 . THR A 1 98 ? -11.650 -28.954 -8.805 1.00 62.23 ? 76 THR A OG1 1 -ATOM 518 C CG2 . THR A 1 98 ? -13.076 -27.208 -9.543 1.00 46.98 ? 76 THR A CG2 1 -ATOM 519 N N . GLY A 1 99 ? -13.141 -31.195 -10.298 1.00 51.98 ? 77 GLY A N 1 -ATOM 520 C CA . GLY A 1 99 ? -14.081 -32.152 -9.752 1.00 54.10 ? 77 GLY A CA 1 -ATOM 521 C C . GLY A 1 99 ? -13.669 -33.582 -10.014 1.00 61.34 ? 77 GLY A C 1 -ATOM 522 O O . GLY A 1 99 ? -12.545 -33.854 -10.451 1.00 62.31 ? 77 GLY A O 1 -ATOM 523 N N . GLN A 1 100 ? -14.593 -34.498 -9.741 1.00 49.24 ? 78 GLN A N 1 -ATOM 524 C CA . GLN A 1 100 ? -14.395 -35.920 -10.038 1.00 63.49 ? 78 GLN A CA 1 -ATOM 525 C C . GLN A 1 100 ? -15.733 -36.630 -9.911 1.00 55.32 ? 78 GLN A C 1 -ATOM 526 O O . GLN A 1 100 ? -16.693 -36.058 -9.390 1.00 54.44 ? 78 GLN A O 1 -ATOM 527 C CB . GLN A 1 100 ? -13.385 -36.554 -9.079 1.00 55.06 ? 78 GLN A CB 1 -ATOM 528 C CG . GLN A 1 100 ? -13.786 -36.407 -7.610 1.00 55.32 ? 78 GLN A CG 1 -ATOM 529 C CD . GLN A 1 100 ? -12.785 -37.026 -6.655 1.00 66.59 ? 78 GLN A CD 1 -ATOM 530 O OE1 . GLN A 1 100 ? -12.171 -38.050 -6.953 1.00 73.33 ? 78 GLN A OE1 1 -ATOM 531 N NE2 . GLN A 1 100 ? -12.618 -36.403 -5.492 1.00 74.70 ? 78 GLN A NE2 1 -ATOM 532 N N . SER A 1 101 ? -15.797 -37.869 -10.382 1.00 62.86 ? 79 SER A N 1 -ATOM 533 C CA . SER A 1 101 ? -16.961 -38.715 -10.119 1.00 58.53 ? 79 SER A CA 1 -ATOM 534 C C . SER A 1 101 ? -18.320 -38.106 -10.469 1.00 49.25 ? 79 SER A C 1 -ATOM 535 O O . SER A 1 101 ? -19.229 -38.149 -9.658 1.00 54.40 ? 79 SER A O 1 -ATOM 536 C CB . SER A 1 101 ? -16.964 -39.056 -8.634 1.00 58.08 ? 79 SER A CB 1 -ATOM 537 O OG . SER A 1 101 ? -15.666 -39.440 -8.208 1.00 69.20 ? 79 SER A OG 1 -ATOM 538 N N . GLY A 1 102 ? -18.440 -37.517 -11.651 1.00 46.93 ? 80 GLY A N 1 -ATOM 539 C CA . GLY A 1 102 ? -19.693 -36.942 -12.114 1.00 50.74 ? 80 GLY A CA 1 -ATOM 540 C C . GLY A 1 102 ? -20.066 -35.555 -11.603 1.00 40.30 ? 80 GLY A C 1 -ATOM 541 O O . GLY A 1 102 ? -20.934 -34.913 -12.186 1.00 52.16 ? 80 GLY A O 1 -ATOM 542 N N . LEU A 1 103 ? -19.431 -35.095 -10.531 1.00 39.45 ? 81 LEU A N 1 -ATOM 543 C CA . LEU A 1 103 ? -19.710 -33.768 -9.967 1.00 45.68 ? 81 LEU A CA 1 -ATOM 544 C C . LEU A 1 103 ? -18.552 -32.791 -10.175 1.00 48.27 ? 81 LEU A C 1 -ATOM 545 O O . LEU A 1 103 ? -17.468 -33.014 -9.612 1.00 38.83 ? 81 LEU A O 1 -ATOM 546 C CB . LEU A 1 103 ? -19.979 -33.873 -8.477 1.00 45.68 ? 81 LEU A CB 1 -ATOM 547 C CG . LEU A 1 103 ? -21.199 -34.715 -8.149 1.00 57.02 ? 81 LEU A CG 1 -ATOM 548 C CD1 . LEU A 1 103 ? -20.990 -35.351 -6.805 1.00 42.04 ? 81 LEU A CD1 1 -ATOM 549 C CD2 . LEU A 1 103 ? -22.453 -33.850 -8.203 1.00 62.86 ? 81 LEU A CD2 1 -ATOM 550 N N . PHE A 1 104 ? -18.779 -31.729 -10.957 1.00 46.20 ? 82 PHE A N 1 -ATOM 551 C CA . PHE A 1 104 ? -17.728 -30.760 -11.309 1.00 35.33 ? 82 PHE A CA 1 -ATOM 552 C C . PHE A 1 104 ? -18.145 -29.308 -11.037 1.00 54.46 ? 82 PHE A C 1 -ATOM 553 O O . PHE A 1 104 ? -19.325 -28.980 -11.057 1.00 41.29 ? 82 PHE A O 1 -ATOM 554 C CB . PHE A 1 104 ? -17.332 -30.897 -12.790 1.00 34.58 ? 82 PHE A CB 1 -ATOM 555 C CG . PHE A 1 104 ? -16.937 -32.300 -13.189 1.00 50.21 ? 82 PHE A CG 1 -ATOM 556 C CD1 . PHE A 1 104 ? -17.893 -33.211 -13.641 1.00 40.72 ? 82 PHE A CD1 1 -ATOM 557 C CD2 . PHE A 1 104 ? -15.617 -32.716 -13.087 1.00 41.02 ? 82 PHE A CD2 1 -ATOM 558 C CE1 . PHE A 1 104 ? -17.542 -34.511 -13.975 1.00 42.79 ? 82 PHE A CE1 1 -ATOM 559 C CE2 . PHE A 1 104 ? -15.258 -34.013 -13.421 1.00 50.80 ? 82 PHE A CE2 1 -ATOM 560 C CZ . PHE A 1 104 ? -16.232 -34.917 -13.865 1.00 43.44 ? 82 PHE A CZ 1 -ATOM 561 N N . THR A 1 105 ? -17.158 -28.441 -10.814 1.00 54.36 ? 83 THR A N 1 -ATOM 562 C CA . THR A 1 105 ? -17.398 -27.013 -10.661 1.00 40.88 ? 83 THR A CA 1 -ATOM 563 C C . THR A 1 105 ? -16.529 -26.279 -11.646 1.00 53.31 ? 83 THR A C 1 -ATOM 564 O O . THR A 1 105 ? -15.321 -26.487 -11.736 1.00 50.59 ? 83 THR A O 1 -ATOM 565 C CB . THR A 1 105 ? -17.128 -26.505 -9.238 1.00 50.05 ? 83 THR A CB 1 -ATOM 566 O OG1 . THR A 1 105 ? -18.063 -27.115 -8.340 1.00 54.82 ? 83 THR A OG1 1 -ATOM 567 C CG2 . THR A 1 105 ? -17.307 -24.984 -9.147 1.00 47.81 ? 83 THR A CG2 1 -ATOM 568 N N . GLN A 1 106 ? -17.174 -25.401 -12.391 1.00 50.07 ? 84 GLN A N 1 -ATOM 569 C CA . GLN A 1 106 ? -16.545 -24.731 -13.495 1.00 39.19 ? 84 GLN A CA 1 -ATOM 570 C C . GLN A 1 106 ? -16.168 -23.307 -13.121 1.00 52.18 ? 84 GLN A C 1 -ATOM 571 O O . GLN A 1 106 ? -17.007 -22.530 -12.667 1.00 46.54 ? 84 GLN A O 1 -ATOM 572 C CB . GLN A 1 106 ? -17.486 -24.766 -14.686 1.00 38.79 ? 84 GLN A CB 1 -ATOM 573 C CG . GLN A 1 106 ? -16.976 -24.086 -15.929 1.00 48.91 ? 84 GLN A CG 1 -ATOM 574 C CD . GLN A 1 106 ? -18.005 -24.147 -17.025 1.00 61.56 ? 84 GLN A CD 1 -ATOM 575 O OE1 . GLN A 1 106 ? -19.001 -23.424 -16.988 1.00 63.46 ? 84 GLN A OE1 1 -ATOM 576 N NE2 . GLN A 1 106 ? -17.779 -25.021 -18.011 1.00 55.69 ? 84 GLN A NE2 1 -ATOM 577 N N . TYR A 1 107 ? -14.884 -22.992 -13.224 1.00 51.55 ? 85 TYR A N 1 -ATOM 578 C CA . TYR A 1 107 ? -14.426 -21.621 -12.966 1.00 62.07 ? 85 TYR A CA 1 -ATOM 579 C C . TYR A 1 107 ? -14.099 -20.916 -14.281 1.00 58.56 ? 85 TYR A C 1 -ATOM 580 O O . TYR A 1 107 ? -13.481 -21.507 -15.167 1.00 55.92 ? 85 TYR A O 1 -ATOM 581 C CB . TYR A 1 107 ? -13.232 -21.599 -12.022 1.00 51.82 ? 85 TYR A CB 1 -ATOM 582 C CG . TYR A 1 107 ? -13.541 -22.169 -10.667 1.00 47.03 ? 85 TYR A CG 1 -ATOM 583 C CD1 . TYR A 1 107 ? -13.541 -23.534 -10.465 1.00 55.09 ? 85 TYR A CD1 1 -ATOM 584 C CD2 . TYR A 1 107 ? -13.850 -21.350 -9.589 1.00 44.43 ? 85 TYR A CD2 1 -ATOM 585 C CE1 . TYR A 1 107 ? -13.837 -24.077 -9.236 1.00 45.11 ? 85 TYR A CE1 1 -ATOM 586 C CE2 . TYR A 1 107 ? -14.132 -21.892 -8.337 1.00 52.58 ? 85 TYR A CE2 1 -ATOM 587 C CZ . TYR A 1 107 ? -14.125 -23.272 -8.180 1.00 57.10 ? 85 TYR A CZ 1 -ATOM 588 O OH . TYR A 1 107 ? -14.400 -23.891 -6.980 1.00 63.89 ? 85 TYR A OH 1 -ATOM 589 N N . ASN A 1 108 ? -14.603 -19.694 -14.437 1.00 51.73 ? 86 ASN A N 1 -ATOM 590 C CA . ASN A 1 108 ? -14.458 -18.942 -15.680 1.00 56.34 ? 86 ASN A CA 1 -ATOM 591 C C . ASN A 1 108 ? -13.396 -17.837 -15.632 1.00 56.44 ? 86 ASN A C 1 -ATOM 592 O O . ASN A 1 108 ? -13.712 -16.695 -15.330 1.00 75.10 ? 86 ASN A O 1 -ATOM 593 C CB . ASN A 1 108 ? -15.801 -18.333 -16.061 1.00 57.91 ? 86 ASN A CB 1 -ATOM 594 C CG . ASN A 1 108 ? -16.844 -19.385 -16.367 1.00 65.04 ? 86 ASN A CG 1 -ATOM 595 O OD1 . ASN A 1 108 ? -16.877 -19.957 -17.458 1.00 66.13 ? 86 ASN A OD1 1 -ATOM 596 N ND2 . ASN A 1 108 ? -17.681 -19.679 -15.383 1.00 80.47 ? 86 ASN A ND2 1 -ATOM 597 N N . ILE A 1 109 ? -12.150 -18.187 -15.946 1.00 56.22 ? 87 ILE A N 1 -ATOM 598 C CA . ILE A 1 109 ? -11.021 -17.248 -16.057 1.00 54.76 ? 87 ILE A CA 1 -ATOM 599 C C . ILE A 1 109 ? -11.105 -16.357 -17.312 1.00 60.59 ? 87 ILE A C 1 -ATOM 600 O O . ILE A 1 109 ? -10.940 -16.850 -18.428 1.00 65.97 ? 87 ILE A O 1 -ATOM 601 C CB . ILE A 1 109 ? -9.684 -18.044 -16.118 1.00 63.12 ? 87 ILE A CB 1 -ATOM 602 C CG1 . ILE A 1 109 ? -9.554 -18.987 -14.921 1.00 67.10 ? 87 ILE A CG1 1 -ATOM 603 C CG2 . ILE A 1 109 ? -8.472 -17.129 -16.290 1.00 59.56 ? 87 ILE A CG2 1 -ATOM 604 C CD1 . ILE A 1 109 ? -8.396 -19.956 -15.043 1.00 67.57 ? 87 ILE A CD1 1 -ATOM 605 N N . GLN A 1 110 ? -11.306 -15.051 -17.153 1.00 64.77 ? 88 GLN A N 1 -ATOM 606 C CA . GLN A 1 110 ? -11.430 -14.190 -18.336 1.00 69.92 ? 88 GLN A CA 1 -ATOM 607 C C . GLN A 1 110 ? -10.091 -13.871 -19.009 1.00 73.34 ? 88 GLN A C 1 -ATOM 608 O O . GLN A 1 110 ? -9.138 -13.429 -18.364 1.00 70.66 ? 88 GLN A O 1 -ATOM 609 C CB . GLN A 1 110 ? -12.145 -12.881 -18.007 1.00 64.21 ? 88 GLN A CB 1 -ATOM 610 C CG . GLN A 1 110 ? -12.574 -12.132 -19.274 1.00 68.56 ? 88 GLN A CG 1 -ATOM 611 C CD . GLN A 1 110 ? -13.263 -10.814 -18.989 1.00 79.42 ? 88 GLN A CD 1 -ATOM 612 O OE1 . GLN A 1 110 ? -14.088 -10.714 -18.080 1.00 91.85 ? 88 GLN A OE1 1 -ATOM 613 N NE2 . GLN A 1 110 ? -12.917 -9.785 -19.762 1.00 80.75 ? 88 GLN A NE2 1 -ATOM 614 N N . LYS A 1 111 ? -10.053 -14.064 -20.325 1.00 66.71 ? 89 LYS A N 1 -ATOM 615 C CA . LYS A 1 111 ? -8.870 -13.785 -21.102 1.00 67.63 ? 89 LYS A CA 1 -ATOM 616 C C . LYS A 1 111 ? -9.078 -12.485 -21.858 1.00 77.67 ? 89 LYS A C 1 -ATOM 617 O O . LYS A 1 111 ? -10.092 -11.812 -21.680 1.00 75.62 ? 89 LYS A O 1 -ATOM 618 C CB . LYS A 1 111 ? -8.574 -14.929 -22.068 1.00 62.68 ? 89 LYS A CB 1 -ATOM 619 N N . LYS A 1 112 ? -8.104 -12.114 -22.678 1.00 79.32 ? 90 LYS A N 1 -ATOM 620 C CA . LYS A 1 112 ? -8.176 -10.841 -23.381 1.00 80.65 ? 90 LYS A CA 1 -ATOM 621 C C . LYS A 1 112 ? -8.756 -10.988 -24.786 1.00 82.44 ? 90 LYS A C 1 -ATOM 622 O O . LYS A 1 112 ? -8.678 -12.064 -25.405 1.00 73.86 ? 90 LYS A O 1 -ATOM 623 C CB . LYS A 1 112 ? -6.803 -10.160 -23.377 1.00 76.38 ? 90 LYS A CB 1 -ATOM 624 C CG . LYS A 1 112 ? -6.475 -9.642 -21.968 1.00 80.99 ? 90 LYS A CG 1 -ATOM 625 C CD . LYS A 1 112 ? -7.790 -9.239 -21.257 1.00 84.46 ? 90 LYS A CD 1 -ATOM 626 C CE . LYS A 1 112 ? -7.789 -9.486 -19.746 1.00 85.04 ? 90 LYS A CE 1 -ATOM 627 N NZ . LYS A 1 112 ? -7.059 -8.427 -18.991 1.00 95.19 ? 90 LYS A NZ 1 -ATOM 628 N N . ALA A 1 113 ? -9.345 -9.890 -25.264 1.00 80.62 ? 91 ALA A N 1 -ATOM 629 C CA . ALA A 1 113 ? -10.163 -9.877 -26.476 1.00 71.98 ? 91 ALA A CA 1 -ATOM 630 C C . ALA A 1 113 ? -9.473 -10.458 -27.703 1.00 66.75 ? 91 ALA A C 1 -ATOM 631 O O . ALA A 1 113 ? -8.248 -10.481 -27.793 1.00 80.32 ? 91 ALA A O 1 -ATOM 632 C CB . ALA A 1 113 ? -10.626 -8.449 -26.760 1.00 69.38 ? 91 ALA A CB 1 -ATOM 633 N N . MET A 1 114 ? -10.277 -10.967 -28.630 1.00 65.97 ? 92 MET A N 1 -ATOM 634 C CA . MET A 1 114 ? -9.766 -11.549 -29.861 1.00 66.55 ? 92 MET A CA 1 -ATOM 635 C C . MET A 1 114 ? -10.872 -11.628 -30.895 1.00 69.85 ? 92 MET A C 1 -ATOM 636 O O . MET A 1 114 ? -12.032 -11.425 -30.569 1.00 74.72 ? 92 MET A O 1 -ATOM 637 C CB . MET A 1 114 ? -9.172 -12.941 -29.613 1.00 74.60 ? 92 MET A CB 1 -ATOM 638 C CG . MET A 1 114 ? -10.185 -14.026 -29.286 1.00 75.28 ? 92 MET A CG 1 -ATOM 639 S SD . MET A 1 114 ? -9.358 -15.595 -28.961 1.00 80.77 ? 92 MET A SD 1 -ATOM 640 C CE . MET A 1 114 ? -8.625 -15.251 -27.360 1.00 80.33 ? 92 MET A CE 1 -ATOM 641 N N . THR A 1 115 ? -10.513 -11.969 -32.130 1.00 78.04 ? 93 THR A N 1 -ATOM 642 C CA . THR A 1 115 ? -11.465 -12.008 -33.237 1.00 75.09 ? 93 THR A CA 1 -ATOM 643 C C . THR A 1 115 ? -11.966 -13.403 -33.549 1.00 74.98 ? 93 THR A C 1 -ATOM 644 O O . THR A 1 115 ? -11.479 -14.387 -33.008 1.00 79.82 ? 93 THR A O 1 -ATOM 645 C CB . THR A 1 115 ? -10.851 -11.459 -34.540 1.00 80.02 ? 93 THR A CB 1 -ATOM 646 O OG1 . THR A 1 115 ? -9.827 -12.353 -35.005 1.00 87.09 ? 93 THR A OG1 1 -ATOM 647 C CG2 . THR A 1 115 ? -10.294 -10.054 -34.330 1.00 69.29 ? 93 THR A CG2 1 -ATOM 648 N N . VAL A 1 116 ? -12.944 -13.478 -34.438 1.00 64.24 ? 94 VAL A N 1 -ATOM 649 C CA . VAL A 1 116 ? -13.426 -14.752 -34.920 1.00 68.22 ? 94 VAL A CA 1 -ATOM 650 C C . VAL A 1 116 ? -12.328 -15.474 -35.726 1.00 76.02 ? 94 VAL A C 1 -ATOM 651 O O . VAL A 1 116 ? -12.221 -16.700 -35.689 1.00 72.06 ? 94 VAL A O 1 -ATOM 652 C CB . VAL A 1 116 ? -14.704 -14.552 -35.747 1.00 75.58 ? 94 VAL A CB 1 -ATOM 653 C CG1 . VAL A 1 116 ? -15.135 -15.842 -36.417 1.00 70.11 ? 94 VAL A CG1 1 -ATOM 654 C CG2 . VAL A 1 116 ? -15.821 -14.040 -34.838 1.00 69.36 ? 94 VAL A CG2 1 -ATOM 655 N N . ARG A 1 117 ? -11.512 -14.714 -36.456 1.00 89.40 ? 95 ARG A N 1 -ATOM 656 C CA . ARG A 1 117 ? -10.390 -15.294 -37.207 1.00 85.15 ? 95 ARG A CA 1 -ATOM 657 C C . ARG A 1 117 ? -9.372 -15.937 -36.269 1.00 80.20 ? 95 ARG A C 1 -ATOM 658 O O . ARG A 1 117 ? -8.850 -17.024 -36.543 1.00 79.94 ? 95 ARG A O 1 -ATOM 659 C CB . ARG A 1 117 ? -9.700 -14.231 -38.068 1.00 82.84 ? 95 ARG A CB 1 -ATOM 660 N N . GLU A 1 118 ? -9.101 -15.258 -35.159 1.00 72.05 ? 96 GLU A N 1 -ATOM 661 C CA . GLU A 1 118 ? -8.170 -15.758 -34.160 1.00 76.19 ? 96 GLU A CA 1 -ATOM 662 C C . GLU A 1 118 ? -8.716 -16.997 -33.452 1.00 79.31 ? 96 GLU A C 1 -ATOM 663 O O . GLU A 1 118 ? -8.033 -18.013 -33.327 1.00 81.32 ? 96 GLU A O 1 -ATOM 664 C CB . GLU A 1 118 ? -7.866 -14.666 -33.142 1.00 69.43 ? 96 GLU A CB 1 -ATOM 665 C CG . GLU A 1 118 ? -6.839 -13.660 -33.606 1.00 78.38 ? 96 GLU A CG 1 -ATOM 666 C CD . GLU A 1 118 ? -6.900 -12.362 -32.814 1.00 87.40 ? 96 GLU A CD 1 -ATOM 667 O OE1 . GLU A 1 118 ? -8.006 -11.790 -32.704 1.00 82.85 ? 96 GLU A OE1 1 -ATOM 668 O OE2 . GLU A 1 118 ? -5.849 -11.904 -32.316 1.00 87.68 ? 96 GLU A OE2 1 -ATOM 669 N N . PHE A 1 119 ? -9.968 -16.904 -33.023 1.00 80.44 ? 97 PHE A N 1 -ATOM 670 C CA . PHE A 1 119 ? -10.650 -17.971 -32.304 1.00 66.85 ? 97 PHE A CA 1 -ATOM 671 C C . PHE A 1 119 ? -10.724 -19.253 -33.146 1.00 71.81 ? 97 PHE A C 1 -ATOM 672 O O . PHE A 1 119 ? -10.421 -20.344 -32.649 1.00 70.44 ? 97 PHE A O 1 -ATOM 673 C CB . PHE A 1 119 ? -12.048 -17.488 -31.898 1.00 64.42 ? 97 PHE A CB 1 -ATOM 674 C CG . PHE A 1 119 ? -12.755 -18.395 -30.941 1.00 62.49 ? 97 PHE A CG 1 -ATOM 675 C CD1 . PHE A 1 119 ? -13.437 -19.520 -31.391 1.00 61.35 ? 97 PHE A CD1 1 -ATOM 676 C CD2 . PHE A 1 119 ? -12.737 -18.123 -29.587 1.00 53.57 ? 97 PHE A CD2 1 -ATOM 677 C CE1 . PHE A 1 119 ? -14.074 -20.354 -30.510 1.00 55.09 ? 97 PHE A CE1 1 -ATOM 678 C CE2 . PHE A 1 119 ? -13.375 -18.955 -28.706 1.00 51.74 ? 97 PHE A CE2 1 -ATOM 679 C CZ . PHE A 1 119 ? -14.045 -20.069 -29.168 1.00 57.13 ? 97 PHE A CZ 1 -ATOM 680 N N . ARG A 1 120 ? -11.125 -19.129 -34.413 1.00 70.63 ? 98 ARG A N 1 -ATOM 681 C CA . ARG A 1 120 ? -11.218 -20.294 -35.297 1.00 75.89 ? 98 ARG A CA 1 -ATOM 682 C C . ARG A 1 120 ? -9.848 -20.968 -35.468 1.00 78.38 ? 98 ARG A C 1 -ATOM 683 O O . ARG A 1 120 ? -9.753 -22.186 -35.658 1.00 79.73 ? 98 ARG A O 1 -ATOM 684 C CB . ARG A 1 120 ? -11.801 -19.906 -36.656 1.00 75.95 ? 98 ARG A CB 1 -ATOM 685 C CG . ARG A 1 120 ? -12.038 -21.097 -37.591 1.00 83.67 ? 98 ARG A CG 1 -ATOM 686 C CD . ARG A 1 120 ? -12.263 -20.655 -39.036 1.00 83.83 ? 98 ARG A CD 1 -ATOM 687 N NE . ARG A 1 120 ? -11.641 -19.361 -39.301 1.00 87.22 ? 98 ARG A NE 1 -ATOM 688 C CZ . ARG A 1 120 ? -11.761 -18.692 -40.442 1.00 92.27 ? 98 ARG A CZ 1 -ATOM 689 N NH1 . ARG A 1 120 ? -12.489 -19.191 -41.432 1.00 106.36 ? 98 ARG A NH1 1 -ATOM 690 N NH2 . ARG A 1 120 ? -11.159 -17.519 -40.589 1.00 93.82 ? 98 ARG A NH2 1 -ATOM 691 N N . LYS A 1 121 ? -8.788 -20.167 -35.409 1.00 83.74 ? 99 LYS A N 1 -ATOM 692 C CA . LYS A 1 121 ? -7.441 -20.706 -35.502 1.00 79.67 ? 99 LYS A CA 1 -ATOM 693 C C . LYS A 1 121 ? -7.152 -21.600 -34.302 1.00 76.76 ? 99 LYS A C 1 -ATOM 694 O O . LYS A 1 121 ? -6.702 -22.731 -34.466 1.00 63.70 ? 99 LYS A O 1 -ATOM 695 C CB . LYS A 1 121 ? -6.412 -19.576 -35.583 1.00 77.39 ? 99 LYS A CB 1 -ATOM 696 N N . ILE A 1 122 ? -7.470 -21.109 -33.100 1.00 83.55 ? 100 ILE A N 1 -ATOM 697 C CA . ILE A 1 122 ? -7.210 -21.854 -31.858 1.00 79.47 ? 100 ILE A CA 1 -ATOM 698 C C . ILE A 1 122 ? -8.178 -23.027 -31.667 1.00 67.08 ? 100 ILE A C 1 -ATOM 699 O O . ILE A 1 122 ? -7.836 -24.023 -31.042 1.00 71.20 ? 100 ILE A O 1 -ATOM 700 C CB . ILE A 1 122 ? -7.277 -20.934 -30.616 1.00 63.36 ? 100 ILE A CB 1 -ATOM 701 C CG1 . ILE A 1 122 ? -6.422 -19.692 -30.826 1.00 68.96 ? 100 ILE A CG1 1 -ATOM 702 C CG2 . ILE A 1 122 ? -6.752 -21.642 -29.383 1.00 63.58 ? 100 ILE A CG2 1 -ATOM 703 C CD1 . ILE A 1 122 ? -6.484 -18.707 -29.666 1.00 55.17 ? 100 ILE A CD1 1 -ATOM 704 N N . ALA A 1 123 ? -9.383 -22.896 -32.208 1.00 75.69 ? 101 ALA A N 1 -ATOM 705 C CA . ALA A 1 123 ? -10.397 -23.942 -32.115 1.00 67.95 ? 101 ALA A CA 1 -ATOM 706 C C . ALA A 1 123 ? -10.071 -25.136 -33.010 1.00 77.88 ? 101 ALA A C 1 -ATOM 707 O O . ALA A 1 123 ? -10.388 -26.280 -32.676 1.00 76.87 ? 101 ALA A O 1 -ATOM 708 C CB . ALA A 1 123 ? -11.753 -23.386 -32.467 1.00 60.21 ? 101 ALA A CB 1 -ATOM 709 N N . ASN A 1 124 ? -9.484 -24.864 -34.174 1.00 81.22 ? 102 ASN A N 1 -ATOM 710 C CA . ASN A 1 124 ? -9.169 -25.926 -35.125 1.00 82.42 ? 102 ASN A CA 1 -ATOM 711 C C . ASN A 1 124 ? -7.740 -26.425 -34.953 1.00 78.65 ? 102 ASN A C 1 -ATOM 712 O O . ASN A 1 124 ? -7.342 -27.415 -35.566 1.00 72.64 ? 102 ASN A O 1 -ATOM 713 C CB . ASN A 1 124 ? -9.387 -25.444 -36.564 1.00 80.79 ? 102 ASN A CB 1 -ATOM 714 C CG . ASN A 1 124 ? -10.843 -25.172 -36.870 1.00 77.51 ? 102 ASN A CG 1 -ATOM 715 O OD1 . ASN A 1 124 ? -11.735 -25.834 -36.336 1.00 77.02 ? 102 ASN A OD1 1 -ATOM 716 N ND2 . ASN A 1 124 ? -11.094 -24.208 -37.745 1.00 78.92 ? 102 ASN A ND2 1 -ATOM 717 N N . SER A 1 125 ? -6.984 -25.713 -34.119 1.00 74.71 ? 103 SER A N 1 -ATOM 718 C CA . SER A 1 125 ? -5.668 -26.129 -33.668 1.00 63.87 ? 103 SER A CA 1 -ATOM 719 C C . SER A 1 125 ? -5.637 -27.574 -33.166 1.00 75.09 ? 103 SER A C 1 -ATOM 720 O O . SER A 1 125 ? -6.644 -28.099 -32.699 1.00 80.15 ? 103 SER A O 1 -ATOM 721 C CB . SER A 1 125 ? -5.190 -25.197 -32.567 1.00 62.90 ? 103 SER A CB 1 -ATOM 722 O OG . SER A 1 125 ? -4.398 -25.908 -31.639 1.00 75.91 ? 103 SER A OG 1 -ATOM 723 N N . ASP A 1 126 ? -4.473 -28.210 -33.240 1.00 73.14 ? 104 ASP A N 1 -ATOM 724 C CA . ASP A 1 126 ? -4.365 -29.611 -32.859 1.00 73.66 ? 104 ASP A CA 1 -ATOM 725 C C . ASP A 1 126 ? -4.510 -29.809 -31.347 1.00 77.13 ? 104 ASP A C 1 -ATOM 726 O O . ASP A 1 126 ? -4.792 -30.918 -30.900 1.00 79.46 ? 104 ASP A O 1 -ATOM 727 C CB . ASP A 1 126 ? -3.030 -30.195 -33.337 1.00 63.13 ? 104 ASP A CB 1 -ATOM 728 N N . LYS A 1 127 ? -4.367 -28.744 -30.557 1.00 79.80 ? 105 LYS A N 1 -ATOM 729 C CA . LYS A 1 127 ? -4.423 -28.888 -29.095 1.00 70.61 ? 105 LYS A CA 1 -ATOM 730 C C . LYS A 1 127 ? -5.843 -28.657 -28.545 1.00 78.61 ? 105 LYS A C 1 -ATOM 731 O O . LYS A 1 127 ? -6.152 -29.056 -27.417 1.00 79.33 ? 105 LYS A O 1 -ATOM 732 C CB . LYS A 1 127 ? -3.405 -27.942 -28.440 1.00 71.87 ? 105 LYS A CB 1 -ATOM 733 C CG . LYS A 1 127 ? -3.336 -27.900 -26.890 1.00 80.71 ? 105 LYS A CG 1 -ATOM 734 C CD . LYS A 1 127 ? -2.511 -26.695 -26.401 1.00 73.32 ? 105 LYS A CD 1 -ATOM 735 C CE . LYS A 1 127 ? -2.717 -26.360 -24.928 1.00 80.88 ? 105 LYS A CE 1 -ATOM 736 N NZ . LYS A 1 127 ? -3.196 -24.962 -24.726 1.00 94.11 ? 105 LYS A NZ 1 -ATOM 737 N N . TYR A 1 128 ? -6.716 -28.065 -29.359 1.00 77.25 ? 106 TYR A N 1 -ATOM 738 C CA . TYR A 1 128 ? -8.097 -27.819 -28.958 1.00 70.19 ? 106 TYR A CA 1 -ATOM 739 C C . TYR A 1 128 ? -9.164 -28.458 -29.852 1.00 70.39 ? 106 TYR A C 1 -ATOM 740 O O . TYR A 1 128 ? -10.347 -28.428 -29.514 1.00 72.29 ? 106 TYR A O 1 -ATOM 741 C CB . TYR A 1 128 ? -8.335 -26.319 -28.877 1.00 61.50 ? 106 TYR A CB 1 -ATOM 742 C CG . TYR A 1 128 ? -7.584 -25.682 -27.732 1.00 68.41 ? 106 TYR A CG 1 -ATOM 743 C CD1 . TYR A 1 128 ? -7.932 -25.970 -26.420 1.00 66.48 ? 106 TYR A CD1 1 -ATOM 744 C CD2 . TYR A 1 128 ? -6.542 -24.797 -27.953 1.00 66.96 ? 106 TYR A CD2 1 -ATOM 745 C CE1 . TYR A 1 128 ? -7.266 -25.394 -25.365 1.00 65.19 ? 106 TYR A CE1 1 -ATOM 746 C CE2 . TYR A 1 128 ? -5.861 -24.219 -26.902 1.00 59.28 ? 106 TYR A CE2 1 -ATOM 747 C CZ . TYR A 1 128 ? -6.213 -24.528 -25.612 1.00 72.60 ? 106 TYR A CZ 1 -ATOM 748 O OH . TYR A 1 128 ? -5.541 -23.954 -24.549 1.00 76.83 ? 106 TYR A OH 1 -ATOM 749 N N . CYS A 1 129 ? -8.761 -29.081 -30.954 1.00 63.84 ? 107 CYS A N 1 -ATOM 750 C CA . CYS A 1 129 ? -9.748 -29.567 -31.923 1.00 65.28 ? 107 CYS A CA 1 -ATOM 751 C C . CYS A 1 129 ? -10.537 -30.781 -31.455 1.00 56.88 ? 107 CYS A C 1 -ATOM 752 O O . CYS A 1 129 ? -10.169 -31.449 -30.492 1.00 60.64 ? 107 CYS A O 1 -ATOM 753 C CB . CYS A 1 129 ? -9.074 -29.911 -33.254 1.00 73.97 ? 107 CYS A CB 1 -ATOM 754 S SG . CYS A 1 129 ? -7.881 -31.277 -33.191 1.00 85.83 ? 107 CYS A SG 1 -ATOM 755 N N . THR A 1 130 ? -11.657 -31.029 -32.129 1.00 67.47 ? 108 THR A N 1 -ATOM 756 C CA . THR A 1 130 ? -12.494 -32.204 -31.867 1.00 64.39 ? 108 THR A CA 1 -ATOM 757 C C . THR A 1 130 ? -11.756 -33.506 -32.161 1.00 73.52 ? 108 THR A C 1 -ATOM 758 O O . THR A 1 130 ? -10.988 -33.578 -33.119 1.00 71.07 ? 108 THR A O 1 -ATOM 759 C CB . THR A 1 130 ? -13.776 -32.195 -32.709 1.00 56.81 ? 108 THR A CB 1 -ATOM 760 O OG1 . THR A 1 130 ? -14.320 -30.870 -32.771 1.00 73.12 ? 108 THR A OG1 1 -ATOM 761 C CG2 . THR A 1 130 ? -14.785 -33.134 -32.121 1.00 56.89 ? 108 THR A CG2 1 -ATOM 762 N N . PRO A 1 131 ? -11.946 -34.523 -31.309 1.00 74.81 ? 109 PRO A N 1 -ATOM 763 C CA . PRO A 1 131 ? -11.427 -35.876 -31.582 1.00 70.86 ? 109 PRO A CA 1 -ATOM 764 C C . PRO A 1 131 ? -12.254 -36.695 -32.604 1.00 86.25 ? 109 PRO A C 1 -ATOM 765 O O . PRO A 1 131 ? -13.428 -36.388 -32.844 1.00 82.40 ? 109 PRO A O 1 -ATOM 766 C CB . PRO A 1 131 ? -11.463 -36.544 -30.201 1.00 71.53 ? 109 PRO A CB 1 -ATOM 767 C CG . PRO A 1 131 ? -11.519 -35.400 -29.209 1.00 69.28 ? 109 PRO A CG 1 -ATOM 768 C CD . PRO A 1 131 ? -12.304 -34.334 -29.892 1.00 65.89 ? 109 PRO A CD 1 -ATOM 769 N N . ARG A 1 132 ? -11.647 -37.733 -33.188 1.00 83.15 ? 110 ARG A N 1 -ATOM 770 C CA . ARG A 1 132 ? -12.342 -38.592 -34.155 1.00 84.51 ? 110 ARG A CA 1 -ATOM 771 C C . ARG A 1 132 ? -13.188 -39.610 -33.405 1.00 84.31 ? 110 ARG A C 1 -ATOM 772 O O . ARG A 1 132 ? -12.842 -40.000 -32.291 1.00 79.36 ? 110 ARG A O 1 -ATOM 773 C CB . ARG A 1 132 ? -11.356 -39.292 -35.095 1.00 73.23 ? 110 ARG A CB 1 -ATOM 774 N N . TYR A 1 133 ? -14.294 -40.040 -34.007 1.00 89.96 ? 111 TYR A N 1 -ATOM 775 C CA . TYR A 1 133 ? -15.211 -40.943 -33.312 1.00 83.45 ? 111 TYR A CA 1 -ATOM 776 C C . TYR A 1 133 ? -16.205 -41.689 -34.205 1.00 84.18 ? 111 TYR A C 1 -ATOM 777 O O . TYR A 1 133 ? -16.446 -41.309 -35.349 1.00 82.73 ? 111 TYR A O 1 -ATOM 778 C CB . TYR A 1 133 ? -15.985 -40.164 -32.239 1.00 85.28 ? 111 TYR A CB 1 -ATOM 779 C CG . TYR A 1 133 ? -16.850 -39.034 -32.767 1.00 82.39 ? 111 TYR A CG 1 -ATOM 780 C CD1 . TYR A 1 133 ? -16.287 -37.814 -33.130 1.00 82.35 ? 111 TYR A CD1 1 -ATOM 781 C CD2 . TYR A 1 133 ? -18.228 -39.185 -32.901 1.00 81.07 ? 111 TYR A CD2 1 -ATOM 782 C CE1 . TYR A 1 133 ? -17.071 -36.774 -33.607 1.00 72.46 ? 111 TYR A CE1 1 -ATOM 783 C CE2 . TYR A 1 133 ? -19.018 -38.149 -33.380 1.00 78.27 ? 111 TYR A CE2 1 -ATOM 784 C CZ . TYR A 1 133 ? -18.432 -36.947 -33.729 1.00 73.34 ? 111 TYR A CZ 1 -ATOM 785 O OH . TYR A 1 133 ? -19.204 -35.910 -34.203 1.00 76.34 ? 111 TYR A OH 1 -ATOM 786 N N . SER A 1 134 ? -16.763 -42.769 -33.659 1.00 88.97 ? 112 SER A N 1 -ATOM 787 C CA . SER A 1 134 ? -17.810 -43.541 -34.325 1.00 93.13 ? 112 SER A CA 1 -ATOM 788 C C . SER A 1 134 ? -19.201 -42.981 -34.013 1.00 101.06 ? 112 SER A C 1 -ATOM 789 O O . SER A 1 134 ? -19.712 -42.101 -34.718 1.00 98.50 ? 112 SER A O 1 -ATOM 790 C CB . SER A 1 134 ? -17.737 -45.015 -33.911 1.00 94.97 ? 112 SER A CB 1 -ATOM 791 N N . GLU A 1 135 ? -19.798 -43.480 -32.934 1.00 97.06 ? 113 GLU A N 1 -ATOM 792 C CA . GLU A 1 135 ? -21.110 -43.013 -32.519 1.00 89.75 ? 113 GLU A CA 1 -ATOM 793 C C . GLU A 1 135 ? -20.992 -41.776 -31.620 1.00 89.65 ? 113 GLU A C 1 -ATOM 794 O O . GLU A 1 135 ? -19.906 -41.450 -31.134 1.00 86.41 ? 113 GLU A O 1 -ATOM 795 C CB . GLU A 1 135 ? -21.859 -44.136 -31.796 1.00 78.29 ? 113 GLU A CB 1 -ATOM 796 N N . PHE A 1 136 ? -22.111 -41.081 -31.420 1.00 85.53 ? 114 PHE A N 1 -ATOM 797 C CA . PHE A 1 136 ? -22.157 -39.938 -30.514 1.00 80.85 ? 114 PHE A CA 1 -ATOM 798 C C . PHE A 1 136 ? -21.790 -40.334 -29.093 1.00 76.82 ? 114 PHE A C 1 -ATOM 799 O O . PHE A 1 136 ? -21.113 -39.591 -28.370 1.00 68.73 ? 114 PHE A O 1 -ATOM 800 C CB . PHE A 1 136 ? -23.539 -39.293 -30.508 1.00 79.26 ? 114 PHE A CB 1 -ATOM 801 C CG . PHE A 1 136 ? -23.767 -38.411 -29.322 1.00 77.07 ? 114 PHE A CG 1 -ATOM 802 C CD1 . PHE A 1 136 ? -23.228 -37.132 -29.285 1.00 77.94 ? 114 PHE A CD1 1 -ATOM 803 C CD2 . PHE A 1 136 ? -24.491 -38.869 -28.225 1.00 68.42 ? 114 PHE A CD2 1 -ATOM 804 C CE1 . PHE A 1 136 ? -23.415 -36.319 -28.186 1.00 67.56 ? 114 PHE A CE1 1 -ATOM 805 C CE2 . PHE A 1 136 ? -24.686 -38.065 -27.116 1.00 71.15 ? 114 PHE A CE2 1 -ATOM 806 C CZ . PHE A 1 136 ? -24.150 -36.782 -27.095 1.00 78.74 ? 114 PHE A CZ 1 -ATOM 807 N N . GLU A 1 137 ? -22.268 -41.507 -28.693 1.00 78.87 ? 115 GLU A N 1 -ATOM 808 C CA . GLU A 1 137 ? -22.002 -42.035 -27.364 1.00 75.00 ? 115 GLU A CA 1 -ATOM 809 C C . GLU A 1 137 ? -20.502 -42.009 -27.066 1.00 71.19 ? 115 GLU A C 1 -ATOM 810 O O . GLU A 1 137 ? -20.100 -41.745 -25.939 1.00 68.33 ? 115 GLU A O 1 -ATOM 811 C CB . GLU A 1 137 ? -22.571 -43.442 -27.234 1.00 72.38 ? 115 GLU A CB 1 -ATOM 812 C CG . GLU A 1 137 ? -24.091 -43.468 -27.314 1.00 83.94 ? 115 GLU A CG 1 -ATOM 813 N N . GLU A 1 138 ? -19.684 -42.258 -28.086 1.00 74.13 ? 116 GLU A N 1 -ATOM 814 C CA . GLU A 1 138 ? -18.230 -42.202 -27.943 1.00 75.39 ? 116 GLU A CA 1 -ATOM 815 C C . GLU A 1 138 ? -17.721 -40.788 -27.633 1.00 69.44 ? 116 GLU A C 1 -ATOM 816 O O . GLU A 1 138 ? -16.857 -40.603 -26.774 1.00 62.63 ? 116 GLU A O 1 -ATOM 817 C CB . GLU A 1 138 ? -17.549 -42.723 -29.214 1.00 75.03 ? 116 GLU A CB 1 -ATOM 818 C CG . GLU A 1 138 ? -16.032 -42.822 -29.104 1.00 72.63 ? 116 GLU A CG 1 -ATOM 819 C CD . GLU A 1 138 ? -15.380 -43.369 -30.367 1.00 92.24 ? 116 GLU A CD 1 -ATOM 820 O OE1 . GLU A 1 138 ? -16.116 -43.835 -31.269 1.00 93.26 ? 116 GLU A OE1 1 -ATOM 821 O OE2 . GLU A 1 138 ? -14.130 -43.346 -30.451 1.00 85.03 ? 116 GLU A OE2 1 -ATOM 822 N N . LEU A 1 139 ? -18.231 -39.791 -28.343 1.00 71.43 ? 117 LEU A N 1 -ATOM 823 C CA . LEU A 1 139 ? -17.791 -38.423 -28.101 1.00 63.94 ? 117 LEU A CA 1 -ATOM 824 C C . LEU A 1 139 ? -18.194 -37.989 -26.702 1.00 65.32 ? 117 LEU A C 1 -ATOM 825 O O . LEU A 1 139 ? -17.426 -37.336 -25.992 1.00 60.06 ? 117 LEU A O 1 -ATOM 826 C CB . LEU A 1 139 ? -18.381 -37.474 -29.126 1.00 66.54 ? 117 LEU A CB 1 -ATOM 827 C CG . LEU A 1 139 ? -17.838 -36.055 -29.033 1.00 62.52 ? 117 LEU A CG 1 -ATOM 828 C CD1 . LEU A 1 139 ? -16.430 -35.983 -29.603 1.00 56.15 ? 117 LEU A CD1 1 -ATOM 829 C CD2 . LEU A 1 139 ? -18.774 -35.110 -29.765 1.00 64.17 ? 117 LEU A CD2 1 -ATOM 830 N N . GLU A 1 140 ? -19.397 -38.394 -26.303 1.00 67.93 ? 118 GLU A N 1 -ATOM 831 C CA . GLU A 1 140 ? -19.938 -38.048 -24.995 1.00 61.47 ? 118 GLU A CA 1 -ATOM 832 C C . GLU A 1 140 ? -19.078 -38.617 -23.866 1.00 57.56 ? 118 GLU A C 1 -ATOM 833 O O . GLU A 1 140 ? -18.752 -37.895 -22.929 1.00 52.69 ? 118 GLU A O 1 -ATOM 834 C CB . GLU A 1 140 ? -21.389 -38.536 -24.875 1.00 63.75 ? 118 GLU A CB 1 -ATOM 835 C CG . GLU A 1 140 ? -22.061 -38.221 -23.539 1.00 67.37 ? 118 GLU A CG 1 -ATOM 836 C CD . GLU A 1 140 ? -23.511 -38.720 -23.458 1.00 75.88 ? 118 GLU A CD 1 -ATOM 837 O OE1 . GLU A 1 140 ? -23.916 -39.550 -24.304 1.00 76.18 ? 118 GLU A OE1 1 -ATOM 838 O OE2 . GLU A 1 140 ? -24.254 -38.265 -22.552 1.00 72.14 ? 118 GLU A OE2 1 -ATOM 839 N N . ARG A 1 141 ? -18.693 -39.894 -23.958 1.00 65.82 ? 119 ARG A N 1 -ATOM 840 C CA . ARG A 1 141 ? -17.763 -40.491 -22.984 1.00 51.38 ? 119 ARG A CA 1 -ATOM 841 C C . ARG A 1 141 ? -16.469 -39.687 -22.885 1.00 45.81 ? 119 ARG A C 1 -ATOM 842 O O . ARG A 1 141 ? -15.995 -39.391 -21.790 1.00 54.30 ? 119 ARG A O 1 -ATOM 843 C CB . ARG A 1 141 ? -17.434 -41.943 -23.350 1.00 53.06 ? 119 ARG A CB 1 -ATOM 844 C CG . ARG A 1 141 ? -18.430 -42.967 -22.811 1.00 66.66 ? 119 ARG A CG 1 -ATOM 845 C CD . ARG A 1 141 ? -17.954 -44.415 -23.005 1.00 72.82 ? 119 ARG A CD 1 -ATOM 846 N NE . ARG A 1 141 ? -17.993 -44.812 -24.410 1.00 72.69 ? 119 ARG A NE 1 -ATOM 847 C CZ . ARG A 1 141 ? -19.100 -45.175 -25.054 1.00 78.12 ? 119 ARG A CZ 1 -ATOM 848 N NH1 . ARG A 1 141 ? -20.261 -45.204 -24.408 1.00 78.65 ? 119 ARG A NH1 1 -ATOM 849 N NH2 . ARG A 1 141 ? -19.049 -45.515 -26.340 1.00 74.71 ? 119 ARG A NH2 1 -ATOM 850 N N . LYS A 1 142 ? -15.907 -39.324 -24.031 1.00 47.41 ? 120 LYS A N 1 -ATOM 851 C CA . LYS A 1 142 ? -14.657 -38.577 -24.058 1.00 48.72 ? 120 LYS A CA 1 -ATOM 852 C C . LYS A 1 142 ? -14.853 -37.208 -23.414 1.00 52.30 ? 120 LYS A C 1 -ATOM 853 O O . LYS A 1 142 ? -13.963 -36.702 -22.733 1.00 51.52 ? 120 LYS A O 1 -ATOM 854 C CB . LYS A 1 142 ? -14.141 -38.452 -25.493 1.00 53.74 ? 120 LYS A CB 1 -ATOM 855 N N . TYR A 1 143 ? -16.032 -36.617 -23.609 1.00 60.95 ? 121 TYR A N 1 -ATOM 856 C CA . TYR A 1 143 ? -16.344 -35.339 -22.960 1.00 52.42 ? 121 TYR A CA 1 -ATOM 857 C C . TYR A 1 143 ? -16.299 -35.423 -21.439 1.00 49.64 ? 121 TYR A C 1 -ATOM 858 O O . TYR A 1 143 ? -15.598 -34.636 -20.791 1.00 44.51 ? 121 TYR A O 1 -ATOM 859 C CB . TYR A 1 143 ? -17.711 -34.816 -23.391 1.00 59.22 ? 121 TYR A CB 1 -ATOM 860 C CG . TYR A 1 143 ? -18.125 -33.615 -22.575 1.00 60.95 ? 121 TYR A CG 1 -ATOM 861 C CD1 . TYR A 1 143 ? -17.495 -32.382 -22.741 1.00 59.10 ? 121 TYR A CD1 1 -ATOM 862 C CD2 . TYR A 1 143 ? -19.132 -33.718 -21.620 1.00 58.93 ? 121 TYR A CD2 1 -ATOM 863 C CE1 . TYR A 1 143 ? -17.857 -31.284 -21.970 1.00 54.67 ? 121 TYR A CE1 1 -ATOM 864 C CE2 . TYR A 1 143 ? -19.517 -32.627 -20.864 1.00 57.37 ? 121 TYR A CE2 1 -ATOM 865 C CZ . TYR A 1 143 ? -18.873 -31.417 -21.040 1.00 60.85 ? 121 TYR A CZ 1 -ATOM 866 O OH . TYR A 1 143 ? -19.262 -30.350 -20.274 1.00 48.84 ? 121 TYR A OH 1 -ATOM 867 N N . TRP A 1 144 ? -17.033 -36.382 -20.871 1.00 50.64 ? 122 TRP A N 1 -ATOM 868 C CA . TRP A 1 144 ? -17.117 -36.531 -19.410 1.00 47.17 ? 122 TRP A CA 1 -ATOM 869 C C . TRP A 1 144 ? -15.834 -37.099 -18.795 1.00 49.20 ? 122 TRP A C 1 -ATOM 870 O O . TRP A 1 144 ? -15.631 -37.007 -17.576 1.00 51.25 ? 122 TRP A O 1 -ATOM 871 C CB . TRP A 1 144 ? -18.339 -37.395 -19.032 1.00 52.19 ? 122 TRP A CB 1 -ATOM 872 C CG . TRP A 1 144 ? -19.638 -36.648 -19.288 1.00 48.96 ? 122 TRP A CG 1 -ATOM 873 C CD1 . TRP A 1 144 ? -20.518 -36.849 -20.317 1.00 50.35 ? 122 TRP A CD1 1 -ATOM 874 C CD2 . TRP A 1 144 ? -20.150 -35.554 -18.535 1.00 37.09 ? 122 TRP A CD2 1 -ATOM 875 N NE1 . TRP A 1 144 ? -21.547 -35.954 -20.243 1.00 49.80 ? 122 TRP A NE1 1 -ATOM 876 C CE2 . TRP A 1 144 ? -21.346 -35.142 -19.156 1.00 49.51 ? 122 TRP A CE2 1 -ATOM 877 C CE3 . TRP A 1 144 ? -19.714 -34.878 -17.391 1.00 42.74 ? 122 TRP A CE3 1 -ATOM 878 C CZ2 . TRP A 1 144 ? -22.120 -34.086 -18.665 1.00 33.49 ? 122 TRP A CZ2 1 -ATOM 879 C CZ3 . TRP A 1 144 ? -20.483 -33.834 -16.907 1.00 45.67 ? 122 TRP A CZ3 1 -ATOM 880 C CH2 . TRP A 1 144 ? -21.670 -33.449 -17.544 1.00 40.26 ? 122 TRP A CH2 1 -ATOM 881 N N . LYS A 1 145 ? -14.956 -37.656 -19.627 1.00 47.24 ? 123 LYS A N 1 -ATOM 882 C CA . LYS A 1 145 ? -13.682 -38.171 -19.122 1.00 45.92 ? 123 LYS A CA 1 -ATOM 883 C C . LYS A 1 145 ? -12.605 -37.079 -19.156 1.00 50.13 ? 123 LYS A C 1 -ATOM 884 O O . LYS A 1 145 ? -11.771 -36.990 -18.255 1.00 49.76 ? 123 LYS A O 1 -ATOM 885 C CB . LYS A 1 145 ? -13.231 -39.403 -19.924 1.00 41.28 ? 123 LYS A CB 1 -ATOM 886 N N . ASN A 1 146 ? -12.637 -36.215 -20.164 1.00 54.32 ? 124 ASN A N 1 -ATOM 887 C CA . ASN A 1 146 ? -11.582 -35.210 -20.287 1.00 54.49 ? 124 ASN A CA 1 -ATOM 888 C C . ASN A 1 146 ? -11.996 -33.786 -19.940 1.00 57.66 ? 124 ASN A C 1 -ATOM 889 O O . ASN A 1 146 ? -11.261 -32.846 -20.211 1.00 58.10 ? 124 ASN A O 1 -ATOM 890 C CB . ASN A 1 146 ? -11.013 -35.235 -21.704 1.00 54.66 ? 124 ASN A CB 1 -ATOM 891 C CG . ASN A 1 146 ? -10.364 -36.558 -22.038 1.00 52.89 ? 124 ASN A CG 1 -ATOM 892 O OD1 . ASN A 1 146 ? -9.345 -36.917 -21.456 1.00 61.25 ? 124 ASN A OD1 1 -ATOM 893 N ND2 . ASN A 1 146 ? -10.940 -37.280 -22.986 1.00 46.56 ? 124 ASN A ND2 1 -ATOM 894 N N . LEU A 1 147 ? -13.155 -33.653 -19.313 1.00 54.89 ? 125 LEU A N 1 -ATOM 895 C CA . LEU A 1 147 ? -13.747 -32.361 -18.962 1.00 59.82 ? 125 LEU A CA 1 -ATOM 896 C C . LEU A 1 147 ? -12.749 -31.416 -18.289 1.00 59.68 ? 125 LEU A C 1 -ATOM 897 O O . LEU A 1 147 ? -12.758 -30.204 -18.537 1.00 57.90 ? 125 LEU A O 1 -ATOM 898 C CB . LEU A 1 147 ? -14.956 -32.596 -18.040 1.00 49.49 ? 125 LEU A CB 1 -ATOM 899 C CG . LEU A 1 147 ? -15.787 -31.399 -17.639 1.00 53.72 ? 125 LEU A CG 1 -ATOM 900 C CD1 . LEU A 1 147 ? -16.186 -30.685 -18.918 1.00 72.53 ? 125 LEU A CD1 1 -ATOM 901 C CD2 . LEU A 1 147 ? -17.015 -31.865 -16.904 1.00 51.13 ? 125 LEU A CD2 1 -ATOM 902 N N . THR A 1 148 ? -11.894 -31.981 -17.435 1.00 57.73 ? 126 THR A N 1 -ATOM 903 C CA . THR A 1 148 ? -11.021 -31.197 -16.564 1.00 49.35 ? 126 THR A CA 1 -ATOM 904 C C . THR A 1 148 ? -9.579 -31.048 -17.036 1.00 55.83 ? 126 THR A C 1 -ATOM 905 O O . THR A 1 148 ? -8.714 -30.616 -16.251 1.00 52.84 ? 126 THR A O 1 -ATOM 906 C CB . THR A 1 148 ? -10.971 -31.800 -15.180 1.00 53.31 ? 126 THR A CB 1 -ATOM 907 O OG1 . THR A 1 148 ? -10.209 -33.010 -15.228 1.00 46.11 ? 126 THR A OG1 1 -ATOM 908 C CG2 . THR A 1 148 ? -12.395 -32.088 -14.690 1.00 43.82 ? 126 THR A CG2 1 -ATOM 909 N N . PHE A 1 149 ? -9.312 -31.419 -18.292 1.00 57.87 ? 127 PHE A N 1 -ATOM 910 C CA . PHE A 1 149 ? -7.968 -31.298 -18.885 1.00 55.36 ? 127 PHE A CA 1 -ATOM 911 C C . PHE A 1 149 ? -8.011 -30.312 -20.072 1.00 59.55 ? 127 PHE A C 1 -ATOM 912 O O . PHE A 1 149 ? -9.088 -30.045 -20.601 1.00 57.85 ? 127 PHE A O 1 -ATOM 913 C CB . PHE A 1 149 ? -7.448 -32.670 -19.333 1.00 51.94 ? 127 PHE A CB 1 -ATOM 914 C CG . PHE A 1 149 ? -7.624 -33.758 -18.298 1.00 49.22 ? 127 PHE A CG 1 -ATOM 915 C CD1 . PHE A 1 149 ? -7.358 -33.517 -16.960 1.00 48.30 ? 127 PHE A CD1 1 -ATOM 916 C CD2 . PHE A 1 149 ? -8.123 -35.004 -18.662 1.00 47.71 ? 127 PHE A CD2 1 -ATOM 917 C CE1 . PHE A 1 149 ? -7.543 -34.511 -16.003 1.00 50.23 ? 127 PHE A CE1 1 -ATOM 918 C CE2 . PHE A 1 149 ? -8.325 -36.007 -17.710 1.00 48.65 ? 127 PHE A CE2 1 -ATOM 919 C CZ . PHE A 1 149 ? -8.040 -35.758 -16.378 1.00 45.44 ? 127 PHE A CZ 1 -ATOM 920 N N . ASN A 1 150 ? -6.857 -29.765 -20.468 1.00 58.92 ? 128 ASN A N 1 -ATOM 921 C CA . ASN A 1 150 ? -6.770 -28.759 -21.545 1.00 57.38 ? 128 ASN A CA 1 -ATOM 922 C C . ASN A 1 150 ? -7.922 -27.742 -21.591 1.00 56.78 ? 128 ASN A C 1 -ATOM 923 O O . ASN A 1 150 ? -8.726 -27.754 -22.529 1.00 56.43 ? 128 ASN A O 1 -ATOM 924 C CB . ASN A 1 150 ? -6.650 -29.453 -22.907 1.00 51.78 ? 128 ASN A CB 1 -ATOM 925 C CG . ASN A 1 150 ? -5.336 -30.192 -23.064 1.00 75.86 ? 128 ASN A CG 1 -ATOM 926 O OD1 . ASN A 1 150 ? -4.344 -29.614 -23.520 1.00 86.01 ? 128 ASN A OD1 1 -ATOM 927 N ND2 . ASN A 1 150 ? -5.309 -31.462 -22.668 1.00 74.58 ? 128 ASN A ND2 1 -ATOM 928 N N . PRO A 1 151 ? -8.001 -26.866 -20.578 1.00 47.29 ? 129 PRO A N 1 -ATOM 929 C CA . PRO A 1 151 ? -9.071 -25.866 -20.469 1.00 54.84 ? 129 PRO A CA 1 -ATOM 930 C C . PRO A 1 151 ? -9.253 -25.040 -21.734 1.00 60.02 ? 129 PRO A C 1 -ATOM 931 O O . PRO A 1 151 ? -8.384 -24.223 -22.055 1.00 67.54 ? 129 PRO A O 1 -ATOM 932 C CB . PRO A 1 151 ? -8.608 -24.988 -19.308 1.00 49.81 ? 129 PRO A CB 1 -ATOM 933 C CG . PRO A 1 151 ? -7.771 -25.893 -18.467 1.00 53.52 ? 129 PRO A CG 1 -ATOM 934 C CD . PRO A 1 151 ? -7.101 -26.848 -19.411 1.00 44.66 ? 129 PRO A CD 1 -ATOM 935 N N . PRO A 1 152 ? -10.383 -25.245 -22.438 1.00 56.50 ? 130 PRO A N 1 -ATOM 936 C CA . PRO A 1 152 ? -10.737 -24.552 -23.684 1.00 57.62 ? 130 PRO A CA 1 -ATOM 937 C C . PRO A 1 152 ? -11.164 -23.111 -23.464 1.00 56.78 ? 130 PRO A C 1 -ATOM 938 O O . PRO A 1 152 ? -11.352 -22.688 -22.326 1.00 56.58 ? 130 PRO A O 1 -ATOM 939 C CB . PRO A 1 152 ? -11.910 -25.369 -24.211 1.00 57.47 ? 130 PRO A CB 1 -ATOM 940 C CG . PRO A 1 152 ? -12.586 -25.827 -22.955 1.00 58.73 ? 130 PRO A CG 1 -ATOM 941 C CD . PRO A 1 152 ? -11.465 -26.143 -21.996 1.00 60.42 ? 130 PRO A CD 1 -ATOM 942 N N . ILE A 1 153 ? -11.319 -22.369 -24.554 1.00 62.68 ? 131 ILE A N 1 -ATOM 943 C CA . ILE A 1 153 ? -11.799 -21.000 -24.468 1.00 64.38 ? 131 ILE A CA 1 -ATOM 944 C C . ILE A 1 153 ? -13.197 -20.912 -25.072 1.00 60.94 ? 131 ILE A C 1 -ATOM 945 O O . ILE A 1 153 ? -13.477 -21.486 -26.126 1.00 53.30 ? 131 ILE A O 1 -ATOM 946 C CB . ILE A 1 153 ? -10.860 -19.987 -25.186 1.00 59.12 ? 131 ILE A CB 1 -ATOM 947 C CG1 . ILE A 1 153 ? -9.594 -19.724 -24.372 1.00 59.78 ? 131 ILE A CG1 1 -ATOM 948 C CG2 . ILE A 1 153 ? -11.566 -18.669 -25.414 1.00 53.69 ? 131 ILE A CG2 1 -ATOM 949 C CD1 . ILE A 1 153 ? -8.502 -20.717 -24.605 1.00 63.48 ? 131 ILE A CD1 1 -ATOM 950 N N . TYR A 1 154 ? -14.068 -20.172 -24.397 1.00 49.52 ? 132 TYR A N 1 -ATOM 951 C CA . TYR A 1 154 ? -15.434 -20.049 -24.835 1.00 56.71 ? 132 TYR A CA 1 -ATOM 952 C C . TYR A 1 154 ? -15.685 -18.568 -25.033 1.00 56.03 ? 132 TYR A C 1 -ATOM 953 O O . TYR A 1 154 ? -15.495 -17.763 -24.120 1.00 55.60 ? 132 TYR A O 1 -ATOM 954 C CB . TYR A 1 154 ? -16.361 -20.683 -23.800 1.00 50.83 ? 132 TYR A CB 1 -ATOM 955 C CG . TYR A 1 154 ? -17.799 -20.841 -24.192 1.00 54.24 ? 132 TYR A CG 1 -ATOM 956 C CD1 . TYR A 1 154 ? -18.120 -21.432 -25.381 1.00 56.68 ? 132 TYR A CD1 1 -ATOM 957 C CD2 . TYR A 1 154 ? -18.824 -20.586 -23.304 1.00 52.56 ? 132 TYR A CD2 1 -ATOM 958 C CE1 . TYR A 1 154 ? -19.409 -21.635 -25.751 1.00 58.60 ? 132 TYR A CE1 1 -ATOM 959 C CE2 . TYR A 1 154 ? -20.139 -20.818 -23.665 1.00 55.82 ? 132 TYR A CE2 1 -ATOM 960 C CZ . TYR A 1 154 ? -20.414 -21.350 -24.899 1.00 52.69 ? 132 TYR A CZ 1 -ATOM 961 O OH . TYR A 1 154 ? -21.691 -21.616 -25.335 1.00 65.24 ? 132 TYR A OH 1 -ATOM 962 N N . GLY A 1 155 ? -16.016 -18.206 -26.267 1.00 60.21 ? 133 GLY A N 1 -ATOM 963 C CA . GLY A 1 155 ? -16.322 -16.825 -26.608 1.00 62.85 ? 133 GLY A CA 1 -ATOM 964 C C . GLY A 1 155 ? -17.789 -16.569 -26.339 1.00 53.32 ? 133 GLY A C 1 -ATOM 965 O O . GLY A 1 155 ? -18.603 -16.566 -27.251 1.00 53.62 ? 133 GLY A O 1 -ATOM 966 N N . ALA A 1 156 ? -18.136 -16.422 -25.071 1.00 60.60 ? 134 ALA A N 1 -ATOM 967 C CA . ALA A 1 156 ? -19.537 -16.314 -24.693 1.00 65.53 ? 134 ALA A CA 1 -ATOM 968 C C . ALA A 1 156 ? -19.956 -14.864 -24.491 1.00 64.08 ? 134 ALA A C 1 -ATOM 969 O O . ALA A 1 156 ? -19.112 -13.958 -24.419 1.00 63.07 ? 134 ALA A O 1 -ATOM 970 C CB . ALA A 1 156 ? -19.807 -17.121 -23.447 1.00 62.06 ? 134 ALA A CB 1 -ATOM 971 N N . ASP A 1 157 ? -21.268 -14.659 -24.395 1.00 70.73 ? 135 ASP A N 1 -ATOM 972 C CA . ASP A 1 157 ? -21.844 -13.355 -24.069 1.00 56.04 ? 135 ASP A CA 1 -ATOM 973 C C . ASP A 1 157 ? -21.311 -12.258 -24.981 1.00 58.82 ? 135 ASP A C 1 -ATOM 974 O O . ASP A 1 157 ? -20.792 -11.247 -24.508 1.00 49.86 ? 135 ASP A O 1 -ATOM 975 C CB . ASP A 1 157 ? -21.533 -13.001 -22.607 1.00 58.23 ? 135 ASP A CB 1 -ATOM 976 C CG . ASP A 1 157 ? -22.239 -13.935 -21.602 1.00 74.66 ? 135 ASP A CG 1 -ATOM 977 O OD1 . ASP A 1 157 ? -22.658 -15.049 -22.002 1.00 58.55 ? 135 ASP A OD1 1 -ATOM 978 O OD2 . ASP A 1 157 ? -22.383 -13.552 -20.415 1.00 75.20 ? 135 ASP A OD2 1 -ATOM 979 N N . VAL A 1 158 ? -21.472 -12.439 -26.287 1.00 62.06 ? 136 VAL A N 1 -ATOM 980 C CA . VAL A 1 158 ? -20.997 -11.448 -27.251 1.00 62.68 ? 136 VAL A CA 1 -ATOM 981 C C . VAL A 1 158 ? -22.194 -10.716 -27.846 1.00 61.84 ? 136 VAL A C 1 -ATOM 982 O O . VAL A 1 158 ? -22.954 -11.301 -28.628 1.00 53.08 ? 136 VAL A O 1 -ATOM 983 C CB . VAL A 1 158 ? -20.201 -12.083 -28.397 1.00 57.15 ? 136 VAL A CB 1 -ATOM 984 C CG1 . VAL A 1 158 ? -19.646 -10.985 -29.310 1.00 53.45 ? 136 VAL A CG1 1 -ATOM 985 C CG2 . VAL A 1 158 ? -19.081 -12.932 -27.858 1.00 61.46 ? 136 VAL A CG2 1 -ATOM 986 N N . ASN A 1 159 ? -22.381 -9.459 -27.452 1.00 57.51 ? 137 ASN A N 1 -ATOM 987 C CA . ASN A 1 159 ? -23.536 -8.701 -27.922 1.00 55.32 ? 137 ASN A CA 1 -ATOM 988 C C . ASN A 1 159 ? -23.524 -8.578 -29.431 1.00 56.15 ? 137 ASN A C 1 -ATOM 989 O O . ASN A 1 159 ? -22.501 -8.232 -30.015 1.00 71.06 ? 137 ASN A O 1 -ATOM 990 C CB . ASN A 1 159 ? -23.586 -7.324 -27.266 1.00 43.64 ? 137 ASN A CB 1 -ATOM 991 C CG . ASN A 1 159 ? -24.088 -7.386 -25.832 1.00 60.65 ? 137 ASN A CG 1 -ATOM 992 O OD1 . ASN A 1 159 ? -25.295 -7.507 -25.587 1.00 72.17 ? 137 ASN A OD1 1 -ATOM 993 N ND2 . ASN A 1 159 ? -23.175 -7.269 -24.878 1.00 60.12 ? 137 ASN A ND2 1 -ATOM 994 N N . GLY A 1 160 ? -24.656 -8.870 -30.066 1.00 51.58 ? 138 GLY A N 1 -ATOM 995 C CA . GLY A 1 160 ? -24.725 -8.843 -31.514 1.00 48.95 ? 138 GLY A CA 1 -ATOM 996 C C . GLY A 1 160 ? -25.678 -9.855 -32.094 1.00 53.87 ? 138 GLY A C 1 -ATOM 997 O O . GLY A 1 160 ? -26.175 -10.714 -31.377 1.00 58.13 ? 138 GLY A O 1 -ATOM 998 N N . THR A 1 161 ? -25.945 -9.728 -33.396 1.00 65.44 ? 139 THR A N 1 -ATOM 999 C CA . THR A 1 161 ? -26.817 -10.640 -34.138 1.00 63.22 ? 139 THR A CA 1 -ATOM 1000 C C . THR A 1 161 ? -26.154 -10.996 -35.469 1.00 61.66 ? 139 THR A C 1 -ATOM 1001 O O . THR A 1 161 ? -25.328 -10.243 -35.969 1.00 60.95 ? 139 THR A O 1 -ATOM 1002 C CB . THR A 1 161 ? -28.206 -10.029 -34.410 1.00 62.17 ? 139 THR A CB 1 -ATOM 1003 O OG1 . THR A 1 161 ? -28.932 -10.879 -35.310 1.00 67.46 ? 139 THR A OG1 1 -ATOM 1004 C CG2 . THR A 1 161 ? -28.068 -8.667 -35.061 1.00 54.54 ? 139 THR A CG2 1 -ATOM 1005 N N . LEU A 1 162 ? -26.534 -12.123 -36.060 1.00 65.07 ? 140 LEU A N 1 -ATOM 1006 C CA . LEU A 1 162 ? -26.034 -12.470 -37.390 1.00 68.57 ? 140 LEU A CA 1 -ATOM 1007 C C . LEU A 1 162 ? -27.181 -12.555 -38.398 1.00 67.97 ? 140 LEU A C 1 -ATOM 1008 O O . LEU A 1 162 ? -26.974 -12.883 -39.563 1.00 66.21 ? 140 LEU A O 1 -ATOM 1009 C CB . LEU A 1 162 ? -25.248 -13.781 -37.359 1.00 62.87 ? 140 LEU A CB 1 -ATOM 1010 C CG . LEU A 1 162 ? -23.935 -13.742 -36.576 1.00 69.15 ? 140 LEU A CG 1 -ATOM 1011 C CD1 . LEU A 1 162 ? -23.160 -15.015 -36.830 1.00 70.34 ? 140 LEU A CD1 1 -ATOM 1012 C CD2 . LEU A 1 162 ? -23.092 -12.511 -36.888 1.00 62.23 ? 140 LEU A CD2 1 -ATOM 1013 N N . TYR A 1 163 ? -28.393 -12.277 -37.931 1.00 67.96 ? 141 TYR A N 1 -ATOM 1014 C CA . TYR A 1 163 ? -29.539 -12.123 -38.815 1.00 65.70 ? 141 TYR A CA 1 -ATOM 1015 C C . TYR A 1 163 ? -29.354 -10.911 -39.739 1.00 75.74 ? 141 TYR A C 1 -ATOM 1016 O O . TYR A 1 163 ? -28.892 -9.850 -39.309 1.00 68.56 ? 141 TYR A O 1 -ATOM 1017 C CB . TYR A 1 163 ? -30.833 -11.962 -38.005 1.00 60.34 ? 141 TYR A CB 1 -ATOM 1018 C CG . TYR A 1 163 ? -31.361 -13.245 -37.414 1.00 64.60 ? 141 TYR A CG 1 -ATOM 1019 C CD1 . TYR A 1 163 ? -30.736 -13.840 -36.323 1.00 67.55 ? 141 TYR A CD1 1 -ATOM 1020 C CD2 . TYR A 1 163 ? -32.475 -13.872 -37.952 1.00 71.73 ? 141 TYR A CD2 1 -ATOM 1021 C CE1 . TYR A 1 163 ? -31.209 -15.014 -35.778 1.00 64.09 ? 141 TYR A CE1 1 -ATOM 1022 C CE2 . TYR A 1 163 ? -32.959 -15.054 -37.419 1.00 72.61 ? 141 TYR A CE2 1 -ATOM 1023 C CZ . TYR A 1 163 ? -32.320 -15.625 -36.332 1.00 71.31 ? 141 TYR A CZ 1 -ATOM 1024 O OH . TYR A 1 163 ? -32.802 -16.802 -35.794 1.00 60.25 ? 141 TYR A OH 1 -ATOM 1025 N N . GLU A 1 164 ? -29.675 -11.087 -41.017 1.00 73.56 ? 142 GLU A N 1 -ATOM 1026 C CA . GLU A 1 164 ? -29.847 -9.954 -41.921 1.00 76.40 ? 142 GLU A CA 1 -ATOM 1027 C C . GLU A 1 164 ? -31.085 -9.150 -41.497 1.00 84.13 ? 142 GLU A C 1 -ATOM 1028 O O . GLU A 1 164 ? -32.008 -9.708 -40.900 1.00 86.41 ? 142 GLU A O 1 -ATOM 1029 C CB . GLU A 1 164 ? -29.981 -10.430 -43.364 1.00 79.87 ? 142 GLU A CB 1 -ATOM 1030 N N . LYS A 1 165 ? -31.100 -7.849 -41.791 1.00 84.45 ? 143 LYS A N 1 -ATOM 1031 C CA . LYS A 1 165 ? -32.150 -6.941 -41.295 1.00 86.30 ? 143 LYS A CA 1 -ATOM 1032 C C . LYS A 1 165 ? -33.563 -7.257 -41.804 1.00 86.51 ? 143 LYS A C 1 -ATOM 1033 O O . LYS A 1 165 ? -34.546 -6.893 -41.164 1.00 85.42 ? 143 LYS A O 1 -ATOM 1034 C CB . LYS A 1 165 ? -31.812 -5.491 -41.665 1.00 70.69 ? 143 LYS A CB 1 -ATOM 1035 N N . HIS A 1 166 ? -33.656 -7.923 -42.953 1.00 87.47 ? 144 HIS A N 1 -ATOM 1036 C CA . HIS A 1 166 ? -34.937 -8.176 -43.618 1.00 87.85 ? 144 HIS A CA 1 -ATOM 1037 C C . HIS A 1 166 ? -35.624 -9.481 -43.192 1.00 95.14 ? 144 HIS A C 1 -ATOM 1038 O O . HIS A 1 166 ? -36.787 -9.718 -43.546 1.00 89.10 ? 144 HIS A O 1 -ATOM 1039 C CB . HIS A 1 166 ? -34.738 -8.198 -45.133 1.00 90.81 ? 144 HIS A CB 1 -ATOM 1040 C CG . HIS A 1 166 ? -33.937 -9.369 -45.605 1.00 92.78 ? 144 HIS A CG 1 -ATOM 1041 N ND1 . HIS A 1 166 ? -32.559 -9.371 -45.614 1.00 96.01 ? 144 HIS A ND1 1 -ATOM 1042 C CD2 . HIS A 1 166 ? -34.321 -10.588 -46.052 1.00 90.49 ? 144 HIS A CD2 1 -ATOM 1043 C CE1 . HIS A 1 166 ? -32.127 -10.538 -46.061 1.00 99.88 ? 144 HIS A CE1 1 -ATOM 1044 N NE2 . HIS A 1 166 ? -33.175 -11.294 -46.333 1.00 103.04 ? 144 HIS A NE2 1 -ATOM 1045 N N . VAL A 1 167 ? -34.909 -10.343 -42.467 1.00 91.70 ? 145 VAL A N 1 -ATOM 1046 C CA . VAL A 1 167 ? -35.501 -11.600 -42.013 1.00 87.19 ? 145 VAL A CA 1 -ATOM 1047 C C . VAL A 1 167 ? -36.579 -11.284 -40.974 1.00 85.65 ? 145 VAL A C 1 -ATOM 1048 O O . VAL A 1 167 ? -36.286 -10.716 -39.921 1.00 88.65 ? 145 VAL A O 1 -ATOM 1049 C CB . VAL A 1 167 ? -34.438 -12.560 -41.427 1.00 77.94 ? 145 VAL A CB 1 -ATOM 1050 N N . ASP A 1 168 ? -37.827 -11.627 -41.283 1.00 85.61 ? 146 ASP A N 1 -ATOM 1051 C CA . ASP A 1 168 ? -38.952 -11.242 -40.431 1.00 87.33 ? 146 ASP A CA 1 -ATOM 1052 C C . ASP A 1 168 ? -39.658 -12.434 -39.768 1.00 83.40 ? 146 ASP A C 1 -ATOM 1053 O O . ASP A 1 168 ? -40.678 -12.264 -39.089 1.00 83.01 ? 146 ASP A O 1 -ATOM 1054 C CB . ASP A 1 168 ? -39.960 -10.419 -41.244 1.00 84.94 ? 146 ASP A CB 1 -ATOM 1055 N N . GLU A 1 169 ? -39.138 -13.638 -39.991 1.00 78.45 ? 147 GLU A N 1 -ATOM 1056 C CA . GLU A 1 169 ? -39.645 -14.833 -39.310 1.00 81.60 ? 147 GLU A CA 1 -ATOM 1057 C C . GLU A 1 169 ? -38.596 -15.386 -38.356 1.00 75.52 ? 147 GLU A C 1 -ATOM 1058 O O . GLU A 1 169 ? -37.470 -15.669 -38.766 1.00 79.85 ? 147 GLU A O 1 -ATOM 1059 C CB . GLU A 1 169 ? -40.064 -15.931 -40.292 1.00 78.72 ? 147 GLU A CB 1 -ATOM 1060 C CG . GLU A 1 169 ? -41.020 -15.494 -41.376 1.00 79.46 ? 147 GLU A CG 1 -ATOM 1061 C CD . GLU A 1 169 ? -40.319 -15.112 -42.660 1.00 86.91 ? 147 GLU A CD 1 -ATOM 1062 O OE1 . GLU A 1 169 ? -39.070 -15.184 -42.720 1.00 90.39 ? 147 GLU A OE1 1 -ATOM 1063 O OE2 . GLU A 1 169 ? -41.027 -14.753 -43.622 1.00 94.33 ? 147 GLU A OE2 1 -ATOM 1064 N N . TRP A 1 170 ? -38.970 -15.522 -37.087 1.00 70.70 ? 148 TRP A N 1 -ATOM 1065 C CA . TRP A 1 170 ? -38.085 -16.064 -36.062 1.00 66.43 ? 148 TRP A CA 1 -ATOM 1066 C C . TRP A 1 170 ? -36.787 -15.281 -35.991 1.00 61.17 ? 148 TRP A C 1 -ATOM 1067 O O . TRP A 1 170 ? -35.703 -15.855 -35.964 1.00 65.90 ? 148 TRP A O 1 -ATOM 1068 C CB . TRP A 1 170 ? -37.799 -17.557 -36.315 1.00 57.39 ? 148 TRP A CB 1 -ATOM 1069 C CG . TRP A 1 170 ? -38.990 -18.427 -36.044 1.00 64.31 ? 148 TRP A CG 1 -ATOM 1070 C CD1 . TRP A 1 170 ? -40.223 -18.329 -36.620 1.00 62.82 ? 148 TRP A CD1 1 -ATOM 1071 C CD2 . TRP A 1 170 ? -39.070 -19.512 -35.113 1.00 58.31 ? 148 TRP A CD2 1 -ATOM 1072 N NE1 . TRP A 1 170 ? -41.065 -19.295 -36.114 1.00 59.34 ? 148 TRP A NE1 1 -ATOM 1073 C CE2 . TRP A 1 170 ? -40.379 -20.031 -35.185 1.00 58.84 ? 148 TRP A CE2 1 -ATOM 1074 C CE3 . TRP A 1 170 ? -38.162 -20.098 -34.230 1.00 56.84 ? 148 TRP A CE3 1 -ATOM 1075 C CZ2 . TRP A 1 170 ? -40.797 -21.105 -34.410 1.00 59.69 ? 148 TRP A CZ2 1 -ATOM 1076 C CZ3 . TRP A 1 170 ? -38.583 -21.167 -33.463 1.00 54.48 ? 148 TRP A CZ3 1 -ATOM 1077 C CH2 . TRP A 1 170 ? -39.887 -21.655 -33.555 1.00 49.60 ? 148 TRP A CH2 1 -ATOM 1078 N N . ASN A 1 171 ? -36.901 -13.964 -35.981 1.00 61.91 ? 149 ASN A N 1 -ATOM 1079 C CA . ASN A 1 171 ? -35.733 -13.120 -35.805 1.00 62.69 ? 149 ASN A CA 1 -ATOM 1080 C C . ASN A 1 171 ? -35.457 -12.914 -34.323 1.00 67.76 ? 149 ASN A C 1 -ATOM 1081 O O . ASN A 1 171 ? -36.194 -12.208 -33.630 1.00 67.30 ? 149 ASN A O 1 -ATOM 1082 C CB . ASN A 1 171 ? -35.913 -11.774 -36.501 1.00 74.29 ? 149 ASN A CB 1 -ATOM 1083 C CG . ASN A 1 171 ? -34.628 -10.977 -36.562 1.00 72.44 ? 149 ASN A CG 1 -ATOM 1084 O OD1 . ASN A 1 171 ? -33.917 -10.854 -35.565 1.00 71.35 ? 149 ASN A OD1 1 -ATOM 1085 N ND2 . ASN A 1 171 ? -34.326 -10.420 -37.730 1.00 78.52 ? 149 ASN A ND2 1 -ATOM 1086 N N . ILE A 1 172 ? -34.383 -13.533 -33.845 1.00 64.29 ? 150 ILE A N 1 -ATOM 1087 C CA . ILE A 1 172 ? -34.048 -13.540 -32.428 1.00 58.43 ? 150 ILE A CA 1 -ATOM 1088 C C . ILE A 1 172 ? -33.851 -12.110 -31.885 1.00 66.41 ? 150 ILE A C 1 -ATOM 1089 O O . ILE A 1 172 ? -34.091 -11.840 -30.701 1.00 61.75 ? 150 ILE A O 1 -ATOM 1090 C CB . ILE A 1 172 ? -32.804 -14.425 -32.197 1.00 61.50 ? 150 ILE A CB 1 -ATOM 1091 C CG1 . ILE A 1 172 ? -33.215 -15.904 -32.276 1.00 60.06 ? 150 ILE A CG1 1 -ATOM 1092 C CG2 . ILE A 1 172 ? -32.154 -14.151 -30.865 1.00 62.65 ? 150 ILE A CG2 1 -ATOM 1093 C CD1 . ILE A 1 172 ? -32.113 -16.860 -31.980 1.00 56.82 ? 150 ILE A CD1 1 -ATOM 1094 N N . GLY A 1 173 ? -33.493 -11.184 -32.769 1.00 65.24 ? 151 GLY A N 1 -ATOM 1095 C CA . GLY A 1 173 ? -33.374 -9.785 -32.394 1.00 67.91 ? 151 GLY A CA 1 -ATOM 1096 C C . GLY A 1 173 ? -34.687 -9.116 -32.005 1.00 74.32 ? 151 GLY A C 1 -ATOM 1097 O O . GLY A 1 173 ? -34.722 -8.318 -31.062 1.00 73.44 ? 151 GLY A O 1 -ATOM 1098 N N . ARG A 1 174 ? -35.762 -9.413 -32.734 1.00 64.22 ? 152 ARG A N 1 -ATOM 1099 C CA . ARG A 1 174 ? -37.051 -8.764 -32.487 1.00 69.13 ? 152 ARG A CA 1 -ATOM 1100 C C . ARG A 1 174 ? -38.243 -9.730 -32.655 1.00 67.83 ? 152 ARG A C 1 -ATOM 1101 O O . ARG A 1 174 ? -38.986 -9.657 -33.635 1.00 63.09 ? 152 ARG A O 1 -ATOM 1102 C CB . ARG A 1 174 ? -37.187 -7.539 -33.397 1.00 65.50 ? 152 ARG A CB 1 -ATOM 1103 C CG . ARG A 1 174 ? -36.658 -7.751 -34.808 1.00 70.42 ? 152 ARG A CG 1 -ATOM 1104 C CD . ARG A 1 174 ? -37.262 -6.753 -35.784 1.00 73.75 ? 152 ARG A CD 1 -ATOM 1105 N NE . ARG A 1 174 ? -36.967 -7.110 -37.169 1.00 74.88 ? 152 ARG A NE 1 -ATOM 1106 C CZ . ARG A 1 174 ? -37.841 -7.731 -37.957 1.00 75.87 ? 152 ARG A CZ 1 -ATOM 1107 N NH1 . ARG A 1 174 ? -39.046 -8.030 -37.485 1.00 64.99 ? 152 ARG A NH1 1 -ATOM 1108 N NH2 . ARG A 1 174 ? -37.523 -8.041 -39.207 1.00 72.60 ? 152 ARG A NH2 1 -ATOM 1109 N N . LEU A 1 175 ? -38.427 -10.602 -31.661 1.00 75.71 ? 153 LEU A N 1 -ATOM 1110 C CA . LEU A 1 175 ? -39.444 -11.670 -31.656 1.00 60.18 ? 153 LEU A CA 1 -ATOM 1111 C C . LEU A 1 175 ? -40.883 -11.261 -31.347 1.00 63.85 ? 153 LEU A C 1 -ATOM 1112 O O . LEU A 1 175 ? -41.820 -12.046 -31.556 1.00 60.66 ? 153 LEU A O 1 -ATOM 1113 C CB . LEU A 1 175 ? -39.024 -12.733 -30.638 1.00 57.24 ? 153 LEU A CB 1 -ATOM 1114 C CG . LEU A 1 175 ? -37.753 -13.542 -30.924 1.00 68.01 ? 153 LEU A CG 1 -ATOM 1115 C CD1 . LEU A 1 175 ? -37.316 -14.338 -29.696 1.00 48.22 ? 153 LEU A CD1 1 -ATOM 1116 C CD2 . LEU A 1 175 ? -37.977 -14.472 -32.107 1.00 58.98 ? 153 LEU A CD2 1 -ATOM 1117 N N . ARG A 1 176 ? -41.047 -10.057 -30.818 1.00 58.12 ? 154 ARG A N 1 -ATOM 1118 C CA . ARG A 1 176 ? -42.348 -9.524 -30.440 1.00 55.31 ? 154 ARG A CA 1 -ATOM 1119 C C . ARG A 1 176 ? -43.155 -10.440 -29.507 1.00 66.23 ? 154 ARG A C 1 -ATOM 1120 O O . ARG A 1 176 ? -44.204 -10.951 -29.890 1.00 77.26 ? 154 ARG A O 1 -ATOM 1121 C CB . ARG A 1 176 ? -43.164 -9.210 -31.700 1.00 48.83 ? 154 ARG A CB 1 -ATOM 1122 N N . THR A 1 177 ? -42.664 -10.643 -28.284 1.00 61.66 ? 155 THR A N 1 -ATOM 1123 C CA . THR A 1 177 ? -43.396 -11.408 -27.272 1.00 51.55 ? 155 THR A CA 1 -ATOM 1124 C C . THR A 1 177 ? -43.602 -10.442 -26.107 1.00 54.01 ? 155 THR A C 1 -ATOM 1125 O O . THR A 1 177 ? -42.996 -9.377 -26.084 1.00 57.80 ? 155 THR A O 1 -ATOM 1126 C CB . THR A 1 177 ? -42.654 -12.677 -26.762 1.00 55.94 ? 155 THR A CB 1 -ATOM 1127 O OG1 . THR A 1 177 ? -41.536 -12.296 -25.964 1.00 47.75 ? 155 THR A OG1 1 -ATOM 1128 C CG2 . THR A 1 177 ? -42.213 -13.603 -27.902 1.00 43.09 ? 155 THR A CG2 1 -ATOM 1129 N N . ILE A 1 178 ? -44.429 -10.801 -25.128 1.00 50.84 ? 156 ILE A N 1 -ATOM 1130 C CA . ILE A 1 178 ? -44.693 -9.889 -24.019 1.00 49.19 ? 156 ILE A CA 1 -ATOM 1131 C C . ILE A 1 178 ? -43.486 -9.526 -23.144 1.00 51.07 ? 156 ILE A C 1 -ATOM 1132 O O . ILE A 1 178 ? -43.605 -8.628 -22.297 1.00 46.17 ? 156 ILE A O 1 -ATOM 1133 C CB . ILE A 1 178 ? -45.800 -10.444 -23.072 1.00 48.02 ? 156 ILE A CB 1 -ATOM 1134 C CG1 . ILE A 1 178 ? -45.269 -11.606 -22.227 1.00 52.23 ? 156 ILE A CG1 1 -ATOM 1135 C CG2 . ILE A 1 178 ? -47.037 -10.820 -23.860 1.00 48.34 ? 156 ILE A CG2 1 -ATOM 1136 C CD1 . ILE A 1 178 ? -46.296 -12.212 -21.275 1.00 46.41 ? 156 ILE A CD1 1 -ATOM 1137 N N . LEU A 1 179 ? -42.337 -10.184 -23.323 1.00 43.40 ? 157 LEU A N 1 -ATOM 1138 C CA . LEU A 1 179 ? -41.149 -9.770 -22.568 1.00 53.04 ? 157 LEU A CA 1 -ATOM 1139 C C . LEU A 1 179 ? -40.749 -8.373 -23.048 1.00 45.75 ? 157 LEU A C 1 -ATOM 1140 O O . LEU A 1 179 ? -40.053 -7.671 -22.347 1.00 51.68 ? 157 LEU A O 1 -ATOM 1141 C CB . LEU A 1 179 ? -39.963 -10.747 -22.719 1.00 45.79 ? 157 LEU A CB 1 -ATOM 1142 C CG . LEU A 1 179 ? -38.682 -10.430 -21.905 1.00 33.30 ? 157 LEU A CG 1 -ATOM 1143 C CD1 . LEU A 1 179 ? -38.906 -10.492 -20.402 1.00 38.85 ? 157 LEU A CD1 1 -ATOM 1144 C CD2 . LEU A 1 179 ? -37.455 -11.313 -22.276 1.00 40.44 ? 157 LEU A CD2 1 -ATOM 1145 N N . ASP A 1 180 ? -41.238 -7.978 -24.226 1.00 57.50 ? 158 ASP A N 1 -ATOM 1146 C CA . ASP A 1 180 ? -41.007 -6.641 -24.789 1.00 57.68 ? 158 ASP A CA 1 -ATOM 1147 C C . ASP A 1 180 ? -41.654 -5.557 -23.944 1.00 56.69 ? 158 ASP A C 1 -ATOM 1148 O O . ASP A 1 180 ? -41.375 -4.376 -24.128 1.00 66.09 ? 158 ASP A O 1 -ATOM 1149 C CB . ASP A 1 180 ? -41.537 -6.556 -26.227 1.00 48.91 ? 158 ASP A CB 1 -ATOM 1150 C CG . ASP A 1 180 ? -40.705 -7.378 -27.212 1.00 65.63 ? 158 ASP A CG 1 -ATOM 1151 O OD1 . ASP A 1 180 ? -39.856 -8.193 -26.771 1.00 77.66 ? 158 ASP A OD1 1 -ATOM 1152 O OD2 . ASP A 1 180 ? -40.899 -7.217 -28.436 1.00 72.31 ? 158 ASP A OD2 1 -ATOM 1153 N N . LEU A 1 181 ? -42.528 -5.966 -23.029 1.00 45.00 ? 159 LEU A N 1 -ATOM 1154 C CA . LEU A 1 181 ? -43.149 -5.057 -22.078 1.00 50.24 ? 159 LEU A CA 1 -ATOM 1155 C C . LEU A 1 181 ? -42.186 -4.511 -21.032 1.00 58.55 ? 159 LEU A C 1 -ATOM 1156 O O . LEU A 1 181 ? -42.500 -3.554 -20.328 1.00 54.76 ? 159 LEU A O 1 -ATOM 1157 C CB . LEU A 1 181 ? -44.301 -5.755 -21.371 1.00 46.93 ? 159 LEU A CB 1 -ATOM 1158 C CG . LEU A 1 181 ? -45.512 -4.919 -20.999 1.00 69.10 ? 159 LEU A CG 1 -ATOM 1159 C CD1 . LEU A 1 181 ? -46.204 -4.418 -22.258 1.00 66.27 ? 159 LEU A CD1 1 -ATOM 1160 C CD2 . LEU A 1 181 ? -46.450 -5.767 -20.156 1.00 68.44 ? 159 LEU A CD2 1 -ATOM 1161 N N . VAL A 1 182 ? -41.000 -5.096 -20.952 1.00 57.27 ? 160 VAL A N 1 -ATOM 1162 C CA . VAL A 1 182 ? -40.018 -4.696 -19.949 1.00 49.07 ? 160 VAL A CA 1 -ATOM 1163 C C . VAL A 1 182 ? -39.249 -3.434 -20.350 1.00 59.70 ? 160 VAL A C 1 -ATOM 1164 O O . VAL A 1 182 ? -38.989 -2.557 -19.521 1.00 59.02 ? 160 VAL A O 1 -ATOM 1165 C CB . VAL A 1 182 ? -38.999 -5.844 -19.711 1.00 54.70 ? 160 VAL A CB 1 -ATOM 1166 C CG1 . VAL A 1 182 ? -37.823 -5.394 -18.834 1.00 34.89 ? 160 VAL A CG1 1 -ATOM 1167 C CG2 . VAL A 1 182 ? -39.706 -7.092 -19.158 1.00 49.64 ? 160 VAL A CG2 1 -ATOM 1168 N N . GLU A 1 183 ? -38.955 -3.316 -21.640 1.00 59.49 ? 161 GLU A N 1 -ATOM 1169 C CA . GLU A 1 183 ? -38.220 -2.175 -22.163 1.00 64.26 ? 161 GLU A CA 1 -ATOM 1170 C C . GLU A 1 183 ? -39.206 -1.080 -22.570 1.00 70.17 ? 161 GLU A C 1 -ATOM 1171 O O . GLU A 1 183 ? -38.877 0.114 -22.524 1.00 72.46 ? 161 GLU A O 1 -ATOM 1172 C CB . GLU A 1 183 ? -37.339 -2.588 -23.348 1.00 56.83 ? 161 GLU A CB 1 -ATOM 1173 C CG . GLU A 1 183 ? -36.592 -1.416 -23.995 1.00 61.57 ? 161 GLU A CG 1 -ATOM 1174 C CD . GLU A 1 183 ? -36.134 -1.721 -25.407 1.00 68.47 ? 161 GLU A CD 1 -ATOM 1175 N N . LYS A 1 184 ? -40.425 -1.488 -22.924 1.00 63.55 ? 162 LYS A N 1 -ATOM 1176 C CA . LYS A 1 184 ? -41.448 -0.550 -23.375 1.00 66.68 ? 162 LYS A CA 1 -ATOM 1177 C C . LYS A 1 184 ? -41.934 0.293 -22.201 1.00 75.45 ? 162 LYS A C 1 -ATOM 1178 O O . LYS A 1 184 ? -42.181 1.490 -22.366 1.00 80.64 ? 162 LYS A O 1 -ATOM 1179 C CB . LYS A 1 184 ? -42.628 -1.280 -24.027 1.00 65.30 ? 162 LYS A CB 1 -ATOM 1180 N N . GLU A 1 185 ? -42.011 -0.296 -21.007 1.00 69.82 ? 163 GLU A N 1 -ATOM 1181 C CA . GLU A 1 185 ? -42.499 0.458 -19.853 1.00 67.38 ? 163 GLU A CA 1 -ATOM 1182 C C . GLU A 1 185 ? -41.432 0.904 -18.838 1.00 69.95 ? 163 GLU A C 1 -ATOM 1183 O O . GLU A 1 185 ? -41.771 1.475 -17.802 1.00 67.71 ? 163 GLU A O 1 -ATOM 1184 C CB . GLU A 1 185 ? -43.556 -0.368 -19.122 1.00 62.66 ? 163 GLU A CB 1 -ATOM 1185 C CG . GLU A 1 185 ? -44.497 -1.132 -20.054 1.00 73.25 ? 163 GLU A CG 1 -ATOM 1186 C CD . GLU A 1 185 ? -45.704 -0.317 -20.498 1.00 82.85 ? 163 GLU A CD 1 -ATOM 1187 O OE1 . GLU A 1 185 ? -46.480 0.113 -19.619 1.00 81.19 ? 163 GLU A OE1 1 -ATOM 1188 O OE2 . GLU A 1 185 ? -45.887 -0.125 -21.722 1.00 87.86 ? 163 GLU A OE2 1 -ATOM 1189 N N . SER A 1 186 ? -40.152 0.723 -19.145 1.00 58.38 ? 164 SER A N 1 -ATOM 1190 C CA . SER A 1 186 ? -39.124 1.161 -18.204 1.00 55.32 ? 164 SER A CA 1 -ATOM 1191 C C . SER A 1 186 ? -37.783 1.497 -18.866 1.00 61.83 ? 164 SER A C 1 -ATOM 1192 O O . SER A 1 186 ? -36.887 2.022 -18.206 1.00 57.18 ? 164 SER A O 1 -ATOM 1193 C CB . SER A 1 186 ? -38.894 0.097 -17.133 1.00 53.24 ? 164 SER A CB 1 -ATOM 1194 O OG . SER A 1 186 ? -37.836 -0.770 -17.526 1.00 57.67 ? 164 SER A OG 1 -ATOM 1195 N N . GLY A 1 187 ? -37.658 1.198 -20.158 1.00 55.52 ? 165 GLY A N 1 -ATOM 1196 C CA . GLY A 1 187 ? -36.435 1.444 -20.909 1.00 56.20 ? 165 GLY A CA 1 -ATOM 1197 C C . GLY A 1 187 ? -35.256 0.532 -20.564 1.00 63.87 ? 165 GLY A C 1 -ATOM 1198 O O . GLY A 1 187 ? -34.165 0.670 -21.129 1.00 55.33 ? 165 GLY A O 1 -ATOM 1199 N N . ILE A 1 188 ? -35.485 -0.468 -19.718 1.00 57.26 ? 166 ILE A N 1 -ATOM 1200 C CA . ILE A 1 188 ? -34.378 -1.279 -19.236 1.00 61.33 ? 166 ILE A CA 1 -ATOM 1201 C C . ILE A 1 188 ? -34.084 -2.385 -20.232 1.00 56.81 ? 166 ILE A C 1 -ATOM 1202 O O . ILE A 1 188 ? -34.948 -3.201 -20.549 1.00 64.90 ? 166 ILE A O 1 -ATOM 1203 C CB . ILE A 1 188 ? -34.666 -1.879 -17.857 1.00 59.90 ? 166 ILE A CB 1 -ATOM 1204 C CG1 . ILE A 1 188 ? -34.619 -0.791 -16.796 1.00 52.90 ? 166 ILE A CG1 1 -ATOM 1205 C CG2 . ILE A 1 188 ? -33.634 -2.938 -17.518 1.00 70.38 ? 166 ILE A CG2 1 -ATOM 1206 C CD1 . ILE A 1 188 ? -35.218 -1.203 -15.495 1.00 58.58 ? 166 ILE A CD1 1 -ATOM 1207 N N . THR A 1 189 ? -32.861 -2.383 -20.746 1.00 62.18 ? 167 THR A N 1 -ATOM 1208 C CA . THR A 1 189 ? -32.383 -3.464 -21.592 1.00 60.22 ? 167 THR A CA 1 -ATOM 1209 C C . THR A 1 189 ? -31.376 -4.298 -20.809 1.00 61.18 ? 167 THR A C 1 -ATOM 1210 O O . THR A 1 189 ? -30.346 -3.794 -20.359 1.00 62.64 ? 167 THR A O 1 -ATOM 1211 C CB . THR A 1 189 ? -31.767 -2.937 -22.923 1.00 53.81 ? 167 THR A CB 1 -ATOM 1212 O OG1 . THR A 1 189 ? -30.458 -2.408 -22.695 1.00 70.66 ? 167 THR A OG1 1 -ATOM 1213 C CG2 . THR A 1 189 ? -32.654 -1.850 -23.535 1.00 61.27 ? 167 THR A CG2 1 -ATOM 1214 N N . ILE A 1 190 ? -31.755 -5.547 -20.545 1.00 60.05 ? 168 ILE A N 1 -ATOM 1215 C CA . ILE A 1 190 ? -30.886 -6.528 -19.897 1.00 56.60 ? 168 ILE A CA 1 -ATOM 1216 C C . ILE A 1 190 ? -30.185 -7.405 -20.958 1.00 58.28 ? 168 ILE A C 1 -ATOM 1217 O O . ILE A 1 190 ? -30.837 -8.202 -21.646 1.00 55.64 ? 168 ILE A O 1 -ATOM 1218 C CB . ILE A 1 190 ? -31.676 -7.414 -18.927 1.00 52.08 ? 168 ILE A CB 1 -ATOM 1219 C CG1 . ILE A 1 190 ? -32.606 -6.573 -18.062 1.00 50.61 ? 168 ILE A CG1 1 -ATOM 1220 C CG2 . ILE A 1 190 ? -30.744 -8.230 -18.069 1.00 51.88 ? 168 ILE A CG2 1 -ATOM 1221 C CD1 . ILE A 1 190 ? -33.540 -7.419 -17.236 1.00 59.64 ? 168 ILE A CD1 1 -ATOM 1222 N N . GLU A 1 191 ? -28.872 -7.247 -21.093 1.00 49.51 ? 169 GLU A N 1 -ATOM 1223 C CA . GLU A 1 191 ? -28.073 -7.933 -22.116 1.00 58.86 ? 169 GLU A CA 1 -ATOM 1224 C C . GLU A 1 191 ? -28.192 -9.465 -22.085 1.00 58.65 ? 169 GLU A C 1 -ATOM 1225 O O . GLU A 1 191 ? -28.035 -10.090 -21.046 1.00 55.63 ? 169 GLU A O 1 -ATOM 1226 C CB . GLU A 1 191 ? -26.593 -7.551 -21.970 1.00 56.73 ? 169 GLU A CB 1 -ATOM 1227 N N . GLY A 1 192 ? -28.543 -10.058 -23.217 1.00 62.97 ? 170 GLY A N 1 -ATOM 1228 C CA . GLY A 1 192 ? -28.658 -11.499 -23.298 1.00 60.92 ? 170 GLY A CA 1 -ATOM 1229 C C . GLY A 1 192 ? -30.068 -11.964 -22.984 1.00 66.28 ? 170 GLY A C 1 -ATOM 1230 O O . GLY A 1 192 ? -30.446 -13.085 -23.303 1.00 54.93 ? 170 GLY A O 1 -ATOM 1231 N N . VAL A 1 193 ? -30.820 -11.126 -22.277 1.00 62.40 ? 171 VAL A N 1 -ATOM 1232 C CA . VAL A 1 193 ? -32.186 -11.456 -21.917 1.00 43.33 ? 171 VAL A CA 1 -ATOM 1233 C C . VAL A 1 193 ? -33.192 -10.855 -22.925 1.00 57.14 ? 171 VAL A C 1 -ATOM 1234 O O . VAL A 1 193 ? -33.867 -11.607 -23.629 1.00 55.87 ? 171 VAL A O 1 -ATOM 1235 C CB . VAL A 1 193 ? -32.489 -11.004 -20.471 1.00 57.23 ? 171 VAL A CB 1 -ATOM 1236 C CG1 . VAL A 1 193 ? -33.954 -11.247 -20.121 1.00 49.10 ? 171 VAL A CG1 1 -ATOM 1237 C CG2 . VAL A 1 193 ? -31.593 -11.777 -19.493 1.00 48.73 ? 171 VAL A CG2 1 -ATOM 1238 N N . ASN A 1 194 ? -33.315 -9.525 -23.008 1.00 45.98 ? 172 ASN A N 1 -ATOM 1239 C CA . ASN A 1 194 ? -34.184 -8.946 -24.044 1.00 53.48 ? 172 ASN A CA 1 -ATOM 1240 C C . ASN A 1 194 ? -33.352 -8.353 -25.178 1.00 53.22 ? 172 ASN A C 1 -ATOM 1241 O O . ASN A 1 194 ? -33.834 -7.526 -25.951 1.00 56.19 ? 172 ASN A O 1 -ATOM 1242 C CB . ASN A 1 194 ? -35.161 -7.882 -23.507 1.00 41.87 ? 172 ASN A CB 1 -ATOM 1243 C CG . ASN A 1 194 ? -34.484 -6.835 -22.646 1.00 51.91 ? 172 ASN A CG 1 -ATOM 1244 O OD1 . ASN A 1 194 ? -33.266 -6.703 -22.666 1.00 44.89 ? 172 ASN A OD1 1 -ATOM 1245 N ND2 . ASN A 1 194 ? -35.281 -6.050 -21.924 1.00 41.73 ? 172 ASN A ND2 1 -ATOM 1246 N N . THR A 1 195 ? -32.083 -8.738 -25.222 1.00 49.18 ? 173 THR A N 1 -ATOM 1247 C CA . THR A 1 195 ? -31.194 -8.445 -26.346 1.00 51.77 ? 173 THR A CA 1 -ATOM 1248 C C . THR A 1 195 ? -30.483 -9.760 -26.706 1.00 61.98 ? 173 THR A C 1 -ATOM 1249 O O . THR A 1 195 ? -30.313 -10.614 -25.828 1.00 53.49 ? 173 THR A O 1 -ATOM 1250 C CB . THR A 1 195 ? -30.153 -7.353 -26.006 1.00 57.88 ? 173 THR A CB 1 -ATOM 1251 O OG1 . THR A 1 195 ? -29.126 -7.910 -25.173 1.00 65.59 ? 173 THR A OG1 1 -ATOM 1252 C CG2 . THR A 1 195 ? -30.805 -6.143 -25.299 1.00 56.35 ? 173 THR A CG2 1 -ATOM 1253 N N . PRO A 1 196 ? -30.092 -9.943 -27.987 1.00 64.03 ? 174 PRO A N 1 -ATOM 1254 C CA . PRO A 1 196 ? -29.454 -11.198 -28.421 1.00 63.35 ? 174 PRO A CA 1 -ATOM 1255 C C . PRO A 1 196 ? -28.011 -11.345 -27.941 1.00 60.32 ? 174 PRO A C 1 -ATOM 1256 O O . PRO A 1 196 ? -27.343 -10.351 -27.682 1.00 60.68 ? 174 PRO A O 1 -ATOM 1257 C CB . PRO A 1 196 ? -29.495 -11.121 -29.961 1.00 55.06 ? 174 PRO A CB 1 -ATOM 1258 C CG . PRO A 1 196 ? -30.331 -9.898 -30.287 1.00 61.34 ? 174 PRO A CG 1 -ATOM 1259 C CD . PRO A 1 196 ? -30.196 -8.989 -29.104 1.00 56.24 ? 174 PRO A CD 1 -ATOM 1260 N N . TYR A 1 197 ? -27.570 -12.590 -27.794 1.00 58.95 ? 175 TYR A N 1 -ATOM 1261 C CA . TYR A 1 197 ? -26.178 -12.921 -27.518 1.00 50.36 ? 175 TYR A CA 1 -ATOM 1262 C C . TYR A 1 197 ? -25.647 -13.912 -28.525 1.00 61.38 ? 175 TYR A C 1 -ATOM 1263 O O . TYR A 1 197 ? -26.357 -14.806 -28.984 1.00 61.53 ? 175 TYR A O 1 -ATOM 1264 C CB . TYR A 1 197 ? -26.004 -13.521 -26.126 1.00 58.58 ? 175 TYR A CB 1 -ATOM 1265 C CG . TYR A 1 197 ? -25.588 -12.598 -25.012 1.00 55.00 ? 175 TYR A CG 1 -ATOM 1266 C CD1 . TYR A 1 197 ? -25.363 -11.251 -25.223 1.00 56.06 ? 175 TYR A CD1 1 -ATOM 1267 C CD2 . TYR A 1 197 ? -25.404 -13.098 -23.739 1.00 58.92 ? 175 TYR A CD2 1 -ATOM 1268 C CE1 . TYR A 1 197 ? -24.957 -10.427 -24.177 1.00 59.77 ? 175 TYR A CE1 1 -ATOM 1269 C CE2 . TYR A 1 197 ? -25.014 -12.295 -22.696 1.00 65.63 ? 175 TYR A CE2 1 -ATOM 1270 C CZ . TYR A 1 197 ? -24.789 -10.962 -22.914 1.00 67.10 ? 175 TYR A CZ 1 -ATOM 1271 O OH . TYR A 1 197 ? -24.403 -10.184 -21.844 1.00 71.62 ? 175 TYR A OH 1 -ATOM 1272 N N . LEU A 1 198 ? -24.372 -13.762 -28.841 1.00 62.69 ? 176 LEU A N 1 -ATOM 1273 C CA . LEU A 1 198 ? -23.692 -14.664 -29.746 1.00 58.69 ? 176 LEU A CA 1 -ATOM 1274 C C . LEU A 1 198 ? -22.710 -15.488 -28.937 1.00 58.64 ? 176 LEU A C 1 -ATOM 1275 O O . LEU A 1 198 ? -22.010 -14.938 -28.095 1.00 62.16 ? 176 LEU A O 1 -ATOM 1276 C CB . LEU A 1 198 ? -22.971 -13.880 -30.836 1.00 65.79 ? 176 LEU A CB 1 -ATOM 1277 C CG . LEU A 1 198 ? -23.843 -13.360 -31.970 1.00 58.13 ? 176 LEU A CG 1 -ATOM 1278 C CD1 . LEU A 1 198 ? -23.002 -12.530 -32.905 1.00 53.69 ? 176 LEU A CD1 1 -ATOM 1279 C CD2 . LEU A 1 198 ? -24.471 -14.543 -32.700 1.00 62.51 ? 176 LEU A CD2 1 -ATOM 1280 N N . TYR A 1 199 ? -22.635 -16.788 -29.215 1.00 62.42 ? 177 TYR A N 1 -ATOM 1281 C CA . TYR A 1 199 ? -21.789 -17.701 -28.439 1.00 54.44 ? 177 TYR A CA 1 -ATOM 1282 C C . TYR A 1 199 ? -20.829 -18.456 -29.345 1.00 59.66 ? 177 TYR A C 1 -ATOM 1283 O O . TYR A 1 199 ? -21.251 -19.346 -30.085 1.00 61.13 ? 177 TYR A O 1 -ATOM 1284 C CB . TYR A 1 199 ? -22.650 -18.719 -27.660 1.00 60.77 ? 177 TYR A CB 1 -ATOM 1285 C CG . TYR A 1 199 ? -23.449 -18.162 -26.492 1.00 63.38 ? 177 TYR A CG 1 -ATOM 1286 C CD1 . TYR A 1 199 ? -22.835 -17.877 -25.281 1.00 63.52 ? 177 TYR A CD1 1 -ATOM 1287 C CD2 . TYR A 1 199 ? -24.823 -17.927 -26.602 1.00 63.06 ? 177 TYR A CD2 1 -ATOM 1288 C CE1 . TYR A 1 199 ? -23.553 -17.378 -24.210 1.00 66.32 ? 177 TYR A CE1 1 -ATOM 1289 C CE2 . TYR A 1 199 ? -25.556 -17.419 -25.533 1.00 65.59 ? 177 TYR A CE2 1 -ATOM 1290 C CZ . TYR A 1 199 ? -24.909 -17.147 -24.335 1.00 72.95 ? 177 TYR A CZ 1 -ATOM 1291 O OH . TYR A 1 199 ? -25.596 -16.647 -23.246 1.00 65.82 ? 177 TYR A OH 1 -ATOM 1292 N N . PHE A 1 200 ? -19.545 -18.110 -29.300 1.00 60.40 ? 178 PHE A N 1 -ATOM 1293 C CA . PHE A 1 200 ? -18.549 -18.852 -30.067 1.00 62.10 ? 178 PHE A CA 1 -ATOM 1294 C C . PHE A 1 200 ? -17.890 -19.950 -29.236 1.00 55.11 ? 178 PHE A C 1 -ATOM 1295 O O . PHE A 1 200 ? -17.208 -19.681 -28.241 1.00 51.90 ? 178 PHE A O 1 -ATOM 1296 C CB . PHE A 1 200 ? -17.499 -17.896 -30.626 1.00 58.66 ? 178 PHE A CB 1 -ATOM 1297 C CG . PHE A 1 200 ? -18.049 -16.956 -31.640 1.00 61.89 ? 178 PHE A CG 1 -ATOM 1298 C CD1 . PHE A 1 200 ? -18.194 -17.360 -32.961 1.00 69.46 ? 178 PHE A CD1 1 -ATOM 1299 C CD2 . PHE A 1 200 ? -18.461 -15.686 -31.277 1.00 60.92 ? 178 PHE A CD2 1 -ATOM 1300 C CE1 . PHE A 1 200 ? -18.729 -16.501 -33.902 1.00 74.12 ? 178 PHE A CE1 1 -ATOM 1301 C CE2 . PHE A 1 200 ? -19.001 -14.824 -32.212 1.00 63.32 ? 178 PHE A CE2 1 -ATOM 1302 C CZ . PHE A 1 200 ? -19.134 -15.228 -33.522 1.00 67.21 ? 178 PHE A CZ 1 -ATOM 1303 N N . GLY A 1 201 ? -18.093 -21.194 -29.640 1.00 53.03 ? 179 GLY A N 1 -ATOM 1304 C CA . GLY A 1 201 ? -17.567 -22.300 -28.858 1.00 59.44 ? 179 GLY A CA 1 -ATOM 1305 C C . GLY A 1 201 ? -16.511 -23.115 -29.585 1.00 56.32 ? 179 GLY A C 1 -ATOM 1306 O O . GLY A 1 201 ? -16.383 -23.019 -30.799 1.00 60.23 ? 179 GLY A O 1 -ATOM 1307 N N . MET A 1 202 ? -15.747 -23.899 -28.827 1.00 59.44 ? 180 MET A N 1 -ATOM 1308 C CA . MET A 1 202 ? -14.825 -24.879 -29.379 1.00 38.28 ? 180 MET A CA 1 -ATOM 1309 C C . MET A 1 202 ? -15.043 -26.161 -28.611 1.00 48.57 ? 180 MET A C 1 -ATOM 1310 O O . MET A 1 202 ? -15.817 -26.179 -27.661 1.00 49.67 ? 180 MET A O 1 -ATOM 1311 C CB . MET A 1 202 ? -13.369 -24.404 -29.277 1.00 53.28 ? 180 MET A CB 1 -ATOM 1312 C CG . MET A 1 202 ? -12.815 -24.417 -27.863 1.00 62.97 ? 180 MET A CG 1 -ATOM 1313 S SD . MET A 1 202 ? -11.132 -23.799 -27.637 1.00 72.97 ? 180 MET A SD 1 -ATOM 1314 C CE . MET A 1 202 ? -11.258 -22.111 -28.257 1.00 56.29 ? 180 MET A CE 1 -ATOM 1315 N N . TRP A 1 203 ? -14.342 -27.220 -29.003 1.00 52.12 ? 181 TRP A N 1 -ATOM 1316 C CA . TRP A 1 203 ? -14.553 -28.547 -28.439 1.00 46.94 ? 181 TRP A CA 1 -ATOM 1317 C C . TRP A 1 203 ? -14.460 -28.501 -26.940 1.00 44.98 ? 181 TRP A C 1 -ATOM 1318 O O . TRP A 1 203 ? -13.575 -27.852 -26.393 1.00 51.61 ? 181 TRP A O 1 -ATOM 1319 C CB . TRP A 1 203 ? -13.533 -29.540 -28.987 1.00 48.09 ? 181 TRP A CB 1 -ATOM 1320 C CG . TRP A 1 203 ? -13.320 -30.720 -28.125 1.00 49.76 ? 181 TRP A CG 1 -ATOM 1321 C CD1 . TRP A 1 203 ? -12.175 -31.053 -27.473 1.00 51.42 ? 181 TRP A CD1 1 -ATOM 1322 C CD2 . TRP A 1 203 ? -14.276 -31.745 -27.807 1.00 46.82 ? 181 TRP A CD2 1 -ATOM 1323 N NE1 . TRP A 1 203 ? -12.348 -32.229 -26.781 1.00 54.06 ? 181 TRP A NE1 1 -ATOM 1324 C CE2 . TRP A 1 203 ? -13.634 -32.666 -26.961 1.00 51.47 ? 181 TRP A CE2 1 -ATOM 1325 C CE3 . TRP A 1 203 ? -15.612 -31.961 -28.144 1.00 57.12 ? 181 TRP A CE3 1 -ATOM 1326 C CZ2 . TRP A 1 203 ? -14.280 -33.795 -26.454 1.00 55.68 ? 181 TRP A CZ2 1 -ATOM 1327 C CZ3 . TRP A 1 203 ? -16.256 -33.087 -27.636 1.00 56.10 ? 181 TRP A CZ3 1 -ATOM 1328 C CH2 . TRP A 1 203 ? -15.586 -33.989 -26.804 1.00 55.60 ? 181 TRP A CH2 1 -ATOM 1329 N N . LYS A 1 204 ? -15.446 -29.112 -26.292 1.00 52.69 ? 182 LYS A N 1 -ATOM 1330 C CA . LYS A 1 204 ? -15.497 -29.248 -24.836 1.00 46.54 ? 182 LYS A CA 1 -ATOM 1331 C C . LYS A 1 204 ? -15.934 -27.991 -24.078 1.00 45.72 ? 182 LYS A C 1 -ATOM 1332 O O . LYS A 1 204 ? -16.048 -28.039 -22.861 1.00 51.99 ? 182 LYS A O 1 -ATOM 1333 C CB . LYS A 1 204 ? -14.149 -29.715 -24.285 1.00 45.00 ? 182 LYS A CB 1 -ATOM 1334 C CG . LYS A 1 204 ? -14.272 -30.955 -23.440 1.00 47.20 ? 182 LYS A CG 1 -ATOM 1335 C CD . LYS A 1 204 ? -12.937 -31.586 -23.193 1.00 54.03 ? 182 LYS A CD 1 -ATOM 1336 C CE . LYS A 1 204 ? -12.001 -30.561 -22.628 1.00 50.43 ? 182 LYS A CE 1 -ATOM 1337 N NZ . LYS A 1 204 ? -10.707 -31.190 -22.315 1.00 51.44 ? 182 LYS A NZ 1 -ATOM 1338 N N . THR A 1 205 ? -16.183 -26.868 -24.746 1.00 41.86 ? 183 THR A N 1 -ATOM 1339 C CA . THR A 1 205 ? -16.803 -25.779 -23.995 1.00 49.95 ? 183 THR A CA 1 -ATOM 1340 C C . THR A 1 205 ? -18.205 -26.224 -23.621 1.00 41.35 ? 183 THR A C 1 -ATOM 1341 O O . THR A 1 205 ? -18.882 -26.927 -24.384 1.00 42.03 ? 183 THR A O 1 -ATOM 1342 C CB . THR A 1 205 ? -16.875 -24.456 -24.769 1.00 40.57 ? 183 THR A CB 1 -ATOM 1343 O OG1 . THR A 1 205 ? -17.689 -24.631 -25.928 1.00 43.67 ? 183 THR A OG1 1 -ATOM 1344 C CG2 . THR A 1 205 ? -15.486 -24.004 -25.199 1.00 48.03 ? 183 THR A CG2 1 -ATOM 1345 N N . SER A 1 206 ? -18.630 -25.832 -22.428 1.00 50.02 ? 184 SER A N 1 -ATOM 1346 C CA . SER A 1 206 ? -19.932 -26.247 -21.923 1.00 54.75 ? 184 SER A CA 1 -ATOM 1347 C C . SER A 1 206 ? -20.701 -25.125 -21.227 1.00 49.57 ? 184 SER A C 1 -ATOM 1348 O O . SER A 1 206 ? -20.171 -24.032 -20.981 1.00 47.13 ? 184 SER A O 1 -ATOM 1349 C CB . SER A 1 206 ? -19.772 -27.450 -20.977 1.00 47.04 ? 184 SER A CB 1 -ATOM 1350 O OG . SER A 1 206 ? -18.662 -27.313 -20.101 1.00 50.83 ? 184 SER A OG 1 -ATOM 1351 N N . PHE A 1 207 ? -21.974 -25.403 -20.961 1.00 51.08 ? 185 PHE A N 1 -ATOM 1352 C CA . PHE A 1 207 ? -22.787 -24.558 -20.116 1.00 41.63 ? 185 PHE A CA 1 -ATOM 1353 C C . PHE A 1 207 ? -23.295 -25.440 -18.985 1.00 44.63 ? 185 PHE A C 1 -ATOM 1354 O O . PHE A 1 207 ? -23.784 -26.545 -19.216 1.00 42.55 ? 185 PHE A O 1 -ATOM 1355 C CB . PHE A 1 207 ? -23.937 -23.866 -20.898 1.00 45.62 ? 185 PHE A CB 1 -ATOM 1356 C CG . PHE A 1 207 ? -24.664 -24.755 -21.889 1.00 51.62 ? 185 PHE A CG 1 -ATOM 1357 C CD1 . PHE A 1 207 ? -24.070 -25.128 -23.093 1.00 50.04 ? 185 PHE A CD1 1 -ATOM 1358 C CD2 . PHE A 1 207 ? -25.962 -25.181 -21.633 1.00 46.22 ? 185 PHE A CD2 1 -ATOM 1359 C CE1 . PHE A 1 207 ? -24.744 -25.932 -23.998 1.00 52.61 ? 185 PHE A CE1 1 -ATOM 1360 C CE2 . PHE A 1 207 ? -26.638 -25.979 -22.526 1.00 41.74 ? 185 PHE A CE2 1 -ATOM 1361 C CZ . PHE A 1 207 ? -26.031 -26.360 -23.713 1.00 50.55 ? 185 PHE A CZ 1 -ATOM 1362 N N . ALA A 1 208 ? -23.192 -24.925 -17.759 1.00 41.67 ? 186 ALA A N 1 -ATOM 1363 C CA . ALA A 1 208 ? -23.547 -25.668 -16.573 1.00 37.06 ? 186 ALA A CA 1 -ATOM 1364 C C . ALA A 1 208 ? -25.059 -25.823 -16.453 1.00 44.05 ? 186 ALA A C 1 -ATOM 1365 O O . ALA A 1 208 ? -25.799 -25.283 -17.280 1.00 39.34 ? 186 ALA A O 1 -ATOM 1366 C CB . ALA A 1 208 ? -22.990 -24.990 -15.338 1.00 32.15 ? 186 ALA A CB 1 -ATOM 1367 N N . TRP A 1 209 ? -25.501 -26.592 -15.448 1.00 35.16 ? 187 TRP A N 1 -ATOM 1368 C CA . TRP A 1 209 ? -26.921 -26.778 -15.166 1.00 41.00 ? 187 TRP A CA 1 -ATOM 1369 C C . TRP A 1 209 ? -27.649 -25.490 -14.689 1.00 41.26 ? 187 TRP A C 1 -ATOM 1370 O O . TRP A 1 209 ? -27.356 -24.979 -13.626 1.00 29.28 ? 187 TRP A O 1 -ATOM 1371 C CB . TRP A 1 209 ? -27.079 -27.848 -14.098 1.00 33.35 ? 187 TRP A CB 1 -ATOM 1372 C CG . TRP A 1 209 ? -26.923 -29.228 -14.611 1.00 39.81 ? 187 TRP A CG 1 -ATOM 1373 C CD1 . TRP A 1 209 ? -25.838 -30.054 -14.463 1.00 44.78 ? 187 TRP A CD1 1 -ATOM 1374 C CD2 . TRP A 1 209 ? -27.893 -29.964 -15.350 1.00 38.27 ? 187 TRP A CD2 1 -ATOM 1375 N NE1 . TRP A 1 209 ? -26.081 -31.268 -15.080 1.00 43.51 ? 187 TRP A NE1 1 -ATOM 1376 C CE2 . TRP A 1 209 ? -27.337 -31.232 -15.631 1.00 48.47 ? 187 TRP A CE2 1 -ATOM 1377 C CE3 . TRP A 1 209 ? -29.184 -29.678 -15.805 1.00 42.27 ? 187 TRP A CE3 1 -ATOM 1378 C CZ2 . TRP A 1 209 ? -28.021 -32.197 -16.353 1.00 37.70 ? 187 TRP A CZ2 1 -ATOM 1379 C CZ3 . TRP A 1 209 ? -29.864 -30.651 -16.523 1.00 46.21 ? 187 TRP A CZ3 1 -ATOM 1380 C CH2 . TRP A 1 209 ? -29.276 -31.895 -16.787 1.00 35.88 ? 187 TRP A CH2 1 -ATOM 1381 N N . HIS A 1 210 ? -28.638 -25.019 -15.430 1.00 39.12 ? 188 HIS A N 1 -ATOM 1382 C CA . HIS A 1 210 ? -29.357 -23.815 -15.011 1.00 48.24 ? 188 HIS A CA 1 -ATOM 1383 C C . HIS A 1 210 ? -30.714 -23.766 -15.657 1.00 37.64 ? 188 HIS A C 1 -ATOM 1384 O O . HIS A 1 210 ? -30.888 -24.300 -16.737 1.00 38.69 ? 188 HIS A O 1 -ATOM 1385 C CB . HIS A 1 210 ? -28.590 -22.566 -15.426 1.00 37.78 ? 188 HIS A CB 1 -ATOM 1386 C CG . HIS A 1 210 ? -28.530 -22.404 -16.909 1.00 40.56 ? 188 HIS A CG 1 -ATOM 1387 N ND1 . HIS A 1 210 ? -27.673 -23.140 -17.702 1.00 34.27 ? 188 HIS A ND1 1 -ATOM 1388 C CD2 . HIS A 1 210 ? -29.281 -21.655 -17.754 1.00 43.04 ? 188 HIS A CD2 1 -ATOM 1389 C CE1 . HIS A 1 210 ? -27.882 -22.834 -18.974 1.00 40.08 ? 188 HIS A CE1 1 -ATOM 1390 N NE2 . HIS A 1 210 ? -28.852 -21.933 -19.032 1.00 46.95 ? 188 HIS A NE2 1 -ATOM 1391 N N . THR A 1 211 ? -31.649 -23.075 -15.019 1.00 45.22 ? 189 THR A N 1 -ATOM 1392 C CA . THR A 1 211 ? -32.818 -22.543 -15.713 1.00 43.53 ? 189 THR A CA 1 -ATOM 1393 C C . THR A 1 211 ? -32.512 -21.117 -16.145 1.00 48.13 ? 189 THR A C 1 -ATOM 1394 O O . THR A 1 211 ? -31.466 -20.563 -15.786 1.00 51.65 ? 189 THR A O 1 -ATOM 1395 C CB . THR A 1 211 ? -34.083 -22.540 -14.841 1.00 47.65 ? 189 THR A CB 1 -ATOM 1396 O OG1 . THR A 1 211 ? -33.882 -21.707 -13.687 1.00 46.75 ? 189 THR A OG1 1 -ATOM 1397 C CG2 . THR A 1 211 ? -34.422 -23.943 -14.392 1.00 38.41 ? 189 THR A CG2 1 -ATOM 1398 N N . GLU A 1 212 ? -33.386 -20.529 -16.951 1.00 46.76 ? 190 GLU A N 1 -ATOM 1399 C CA . GLU A 1 212 ? -33.106 -19.195 -17.447 1.00 44.04 ? 190 GLU A CA 1 -ATOM 1400 C C . GLU A 1 212 ? -33.375 -18.178 -16.364 1.00 41.88 ? 190 GLU A C 1 -ATOM 1401 O O . GLU A 1 212 ? -34.038 -18.472 -15.378 1.00 37.02 ? 190 GLU A O 1 -ATOM 1402 C CB . GLU A 1 212 ? -33.916 -18.909 -18.702 1.00 46.60 ? 190 GLU A CB 1 -ATOM 1403 C CG . GLU A 1 212 ? -33.590 -19.855 -19.843 1.00 50.90 ? 190 GLU A CG 1 -ATOM 1404 C CD . GLU A 1 212 ? -32.130 -19.777 -20.287 1.00 53.43 ? 190 GLU A CD 1 -ATOM 1405 O OE1 . GLU A 1 212 ? -31.611 -18.660 -20.475 1.00 50.54 ? 190 GLU A OE1 1 -ATOM 1406 O OE2 . GLU A 1 212 ? -31.500 -20.837 -20.464 1.00 50.56 ? 190 GLU A OE2 1 -ATOM 1407 N N . ASP A 1 213 ? -32.790 -16.992 -16.514 1.00 56.53 ? 191 ASP A N 1 -ATOM 1408 C CA . ASP A 1 213 ? -33.005 -15.902 -15.564 1.00 49.92 ? 191 ASP A CA 1 -ATOM 1409 C C . ASP A 1 213 ? -34.493 -15.586 -15.487 1.00 38.08 ? 191 ASP A C 1 -ATOM 1410 O O . ASP A 1 213 ? -35.164 -15.572 -16.499 1.00 42.76 ? 191 ASP A O 1 -ATOM 1411 C CB . ASP A 1 213 ? -32.179 -14.687 -15.980 1.00 50.23 ? 191 ASP A CB 1 -ATOM 1412 C CG . ASP A 1 213 ? -30.700 -14.817 -15.567 1.00 58.73 ? 191 ASP A CG 1 -ATOM 1413 O OD1 . ASP A 1 213 ? -30.413 -15.497 -14.548 1.00 66.00 ? 191 ASP A OD1 1 -ATOM 1414 O OD2 . ASP A 1 213 ? -29.821 -14.308 -16.300 1.00 64.70 ? 191 ASP A OD2 1 -ATOM 1415 N N . MET A 1 214 ? -34.998 -15.382 -14.277 1.00 35.81 ? 192 MET A N 1 -ATOM 1416 C CA . MET A 1 214 ? -36.418 -15.168 -14.026 1.00 52.52 ? 192 MET A CA 1 -ATOM 1417 C C . MET A 1 214 ? -37.253 -16.349 -14.509 1.00 49.05 ? 192 MET A C 1 -ATOM 1418 O O . MET A 1 214 ? -38.449 -16.201 -14.733 1.00 39.78 ? 192 MET A O 1 -ATOM 1419 C CB . MET A 1 214 ? -36.899 -13.881 -14.703 1.00 38.86 ? 192 MET A CB 1 -ATOM 1420 C CG . MET A 1 214 ? -37.714 -13.020 -13.789 1.00 65.66 ? 192 MET A CG 1 -ATOM 1421 S SD . MET A 1 214 ? -36.779 -12.360 -12.384 1.00 51.66 ? 192 MET A SD 1 -ATOM 1422 C CE . MET A 1 214 ? -38.226 -12.069 -11.354 1.00 50.06 ? 192 MET A CE 1 -ATOM 1423 N N . ASP A 1 215 ? -36.602 -17.504 -14.669 1.00 41.47 ? 193 ASP A N 1 -ATOM 1424 C CA . ASP A 1 215 ? -37.242 -18.747 -15.108 1.00 41.01 ? 193 ASP A CA 1 -ATOM 1425 C C . ASP A 1 215 ? -38.058 -18.538 -16.363 1.00 48.28 ? 193 ASP A C 1 -ATOM 1426 O O . ASP A 1 215 ? -39.217 -18.988 -16.446 1.00 42.94 ? 193 ASP A O 1 -ATOM 1427 C CB . ASP A 1 215 ? -38.102 -19.333 -13.986 1.00 36.75 ? 193 ASP A CB 1 -ATOM 1428 C CG . ASP A 1 215 ? -37.257 -19.953 -12.860 1.00 50.62 ? 193 ASP A CG 1 -ATOM 1429 O OD1 . ASP A 1 215 ? -36.020 -20.156 -13.046 1.00 48.15 ? 193 ASP A OD1 1 -ATOM 1430 O OD2 . ASP A 1 215 ? -37.828 -20.235 -11.783 1.00 54.81 ? 193 ASP A OD2 1 -ATOM 1431 N N . LEU A 1 216 ? -37.436 -17.822 -17.312 1.00 41.25 ? 194 LEU A N 1 -ATOM 1432 C CA . LEU A 1 216 ? -38.005 -17.457 -18.620 1.00 29.57 ? 194 LEU A CA 1 -ATOM 1433 C C . LEU A 1 216 ? -37.831 -18.560 -19.665 1.00 48.06 ? 194 LEU A C 1 -ATOM 1434 O O . LEU A 1 216 ? -37.185 -19.582 -19.405 1.00 49.36 ? 194 LEU A O 1 -ATOM 1435 C CB . LEU A 1 216 ? -37.336 -16.179 -19.147 1.00 32.23 ? 194 LEU A CB 1 -ATOM 1436 C CG . LEU A 1 216 ? -37.627 -14.812 -18.544 1.00 39.03 ? 194 LEU A CG 1 -ATOM 1437 C CD1 . LEU A 1 216 ? -36.456 -13.821 -18.791 1.00 45.03 ? 194 LEU A CD1 1 -ATOM 1438 C CD2 . LEU A 1 216 ? -38.918 -14.247 -19.098 1.00 29.25 ? 194 LEU A CD2 1 -ATOM 1439 N N . TYR A 1 217 ? -38.372 -18.341 -20.864 1.00 39.11 ? 195 TYR A N 1 -ATOM 1440 C CA . TYR A 1 217 ? -38.013 -19.178 -21.996 1.00 37.82 ? 195 TYR A CA 1 -ATOM 1441 C C . TYR A 1 217 ? -36.730 -18.689 -22.610 1.00 51.69 ? 195 TYR A C 1 -ATOM 1442 O O . TYR A 1 217 ? -36.407 -17.490 -22.508 1.00 47.43 ? 195 TYR A O 1 -ATOM 1443 C CB . TYR A 1 217 ? -39.063 -19.161 -23.097 1.00 44.84 ? 195 TYR A CB 1 -ATOM 1444 C CG . TYR A 1 217 ? -40.471 -19.585 -22.775 1.00 47.26 ? 195 TYR A CG 1 -ATOM 1445 C CD1 . TYR A 1 217 ? -41.277 -18.819 -21.931 1.00 43.31 ? 195 TYR A CD1 1 -ATOM 1446 C CD2 . TYR A 1 217 ? -41.029 -20.716 -23.385 1.00 43.75 ? 195 TYR A CD2 1 -ATOM 1447 C CE1 . TYR A 1 217 ? -42.600 -19.185 -21.676 1.00 45.37 ? 195 TYR A CE1 1 -ATOM 1448 C CE2 . TYR A 1 217 ? -42.345 -21.089 -23.134 1.00 43.19 ? 195 TYR A CE2 1 -ATOM 1449 C CZ . TYR A 1 217 ? -43.127 -20.324 -22.282 1.00 45.44 ? 195 TYR A CZ 1 -ATOM 1450 O OH . TYR A 1 217 ? -44.434 -20.697 -22.024 1.00 39.91 ? 195 TYR A OH 1 -ATOM 1451 N N . SER A 1 218 ? -36.038 -19.586 -23.314 1.00 45.18 ? 196 SER A N 1 -ATOM 1452 C CA . SER A 1 218 ? -34.919 -19.165 -24.141 1.00 40.27 ? 196 SER A CA 1 -ATOM 1453 C C . SER A 1 218 ? -35.083 -19.747 -25.531 1.00 43.86 ? 196 SER A C 1 -ATOM 1454 O O . SER A 1 218 ? -35.782 -20.743 -25.732 1.00 45.26 ? 196 SER A O 1 -ATOM 1455 C CB . SER A 1 218 ? -33.578 -19.580 -23.513 1.00 54.91 ? 196 SER A CB 1 -ATOM 1456 O OG . SER A 1 218 ? -33.280 -20.962 -23.711 1.00 55.41 ? 196 SER A OG 1 -ATOM 1457 N N . ILE A 1 219 ? -34.455 -19.094 -26.500 1.00 49.17 ? 197 ILE A N 1 -ATOM 1458 C CA . ILE A 1 219 ? -34.395 -19.600 -27.860 1.00 45.77 ? 197 ILE A CA 1 -ATOM 1459 C C . ILE A 1 219 ? -32.918 -19.582 -28.264 1.00 53.74 ? 197 ILE A C 1 -ATOM 1460 O O . ILE A 1 219 ? -32.175 -18.677 -27.874 1.00 56.82 ? 197 ILE A O 1 -ATOM 1461 C CB . ILE A 1 219 ? -35.252 -18.764 -28.825 1.00 52.38 ? 197 ILE A CB 1 -ATOM 1462 C CG1 . ILE A 1 219 ? -35.288 -19.414 -30.206 1.00 46.54 ? 197 ILE A CG1 1 -ATOM 1463 C CG2 . ILE A 1 219 ? -34.743 -17.321 -28.916 1.00 53.11 ? 197 ILE A CG2 1 -ATOM 1464 C CD1 . ILE A 1 219 ? -35.946 -18.556 -31.261 1.00 48.17 ? 197 ILE A CD1 1 -ATOM 1465 N N . ASN A 1 220 ? -32.483 -20.584 -29.022 1.00 54.80 ? 198 ASN A N 1 -ATOM 1466 C CA . ASN A 1 220 ? -31.059 -20.738 -29.351 1.00 55.24 ? 198 ASN A CA 1 -ATOM 1467 C C . ASN A 1 220 ? -30.936 -21.271 -30.779 1.00 50.36 ? 198 ASN A C 1 -ATOM 1468 O O . ASN A 1 220 ? -31.434 -22.362 -31.098 1.00 57.12 ? 198 ASN A O 1 -ATOM 1469 C CB . ASN A 1 220 ? -30.370 -21.674 -28.328 1.00 54.62 ? 198 ASN A CB 1 -ATOM 1470 C CG . ASN A 1 220 ? -28.842 -21.824 -28.555 1.00 59.01 ? 198 ASN A CG 1 -ATOM 1471 O OD1 . ASN A 1 220 ? -28.402 -22.312 -29.590 1.00 58.03 ? 198 ASN A OD1 1 -ATOM 1472 N ND2 . ASN A 1 220 ? -28.046 -21.450 -27.551 1.00 51.41 ? 198 ASN A ND2 1 -ATOM 1473 N N . TYR A 1 221 ? -30.305 -20.488 -31.646 1.00 43.91 ? 199 TYR A N 1 -ATOM 1474 C CA . TYR A 1 221 ? -30.131 -20.895 -33.033 1.00 55.36 ? 199 TYR A CA 1 -ATOM 1475 C C . TYR A 1 221 ? -28.665 -21.137 -33.340 1.00 56.57 ? 199 TYR A C 1 -ATOM 1476 O O . TYR A 1 221 ? -27.835 -20.276 -33.056 1.00 43.25 ? 199 TYR A O 1 -ATOM 1477 C CB . TYR A 1 221 ? -30.671 -19.822 -33.979 1.00 61.11 ? 199 TYR A CB 1 -ATOM 1478 C CG . TYR A 1 221 ? -30.582 -20.229 -35.430 1.00 60.36 ? 199 TYR A CG 1 -ATOM 1479 C CD1 . TYR A 1 221 ? -31.468 -21.158 -35.955 1.00 63.07 ? 199 TYR A CD1 1 -ATOM 1480 C CD2 . TYR A 1 221 ? -29.617 -19.709 -36.264 1.00 57.42 ? 199 TYR A CD2 1 -ATOM 1481 C CE1 . TYR A 1 221 ? -31.403 -21.543 -37.270 1.00 65.03 ? 199 TYR A CE1 1 -ATOM 1482 C CE2 . TYR A 1 221 ? -29.542 -20.089 -37.585 1.00 58.85 ? 199 TYR A CE2 1 -ATOM 1483 C CZ . TYR A 1 221 ? -30.440 -21.002 -38.080 1.00 60.37 ? 199 TYR A CZ 1 -ATOM 1484 O OH . TYR A 1 221 ? -30.378 -21.394 -39.394 1.00 81.27 ? 199 TYR A OH 1 -ATOM 1485 N N . LEU A 1 222 ? -28.348 -22.267 -33.974 1.00 56.03 ? 200 LEU A N 1 -ATOM 1486 C CA . LEU A 1 222 ? -26.937 -22.623 -34.230 1.00 52.82 ? 200 LEU A CA 1 -ATOM 1487 C C . LEU A 1 222 ? -26.581 -22.224 -35.654 1.00 58.49 ? 200 LEU A C 1 -ATOM 1488 O O . LEU A 1 222 ? -26.824 -22.981 -36.599 1.00 69.86 ? 200 LEU A O 1 -ATOM 1489 C CB . LEU A 1 222 ? -26.695 -24.130 -34.011 1.00 56.20 ? 200 LEU A CB 1 -ATOM 1490 C CG . LEU A 1 222 ? -25.286 -24.759 -34.032 1.00 48.25 ? 200 LEU A CG 1 -ATOM 1491 C CD1 . LEU A 1 222 ? -24.342 -24.156 -33.029 1.00 51.27 ? 200 LEU A CD1 1 -ATOM 1492 C CD2 . LEU A 1 222 ? -25.351 -26.260 -33.841 1.00 55.18 ? 200 LEU A CD2 1 -ATOM 1493 N N . HIS A 1 223 ? -26.005 -21.035 -35.809 1.00 57.22 ? 201 HIS A N 1 -ATOM 1494 C CA . HIS A 1 223 ? -25.751 -20.467 -37.131 1.00 50.30 ? 201 HIS A CA 1 -ATOM 1495 C C . HIS A 1 223 ? -24.937 -21.389 -38.033 1.00 64.17 ? 201 HIS A C 1 -ATOM 1496 O O . HIS A 1 223 ? -25.328 -21.643 -39.171 1.00 70.77 ? 201 HIS A O 1 -ATOM 1497 C CB . HIS A 1 223 ? -25.036 -19.126 -36.999 1.00 48.62 ? 201 HIS A CB 1 -ATOM 1498 C CG . HIS A 1 223 ? -25.953 -18.000 -36.642 1.00 64.11 ? 201 HIS A CG 1 -ATOM 1499 N ND1 . HIS A 1 223 ? -27.168 -17.810 -37.265 1.00 63.32 ? 201 HIS A ND1 1 -ATOM 1500 C CD2 . HIS A 1 223 ? -25.822 -16.991 -35.753 1.00 63.28 ? 201 HIS A CD2 1 -ATOM 1501 C CE1 . HIS A 1 223 ? -27.753 -16.737 -36.763 1.00 67.08 ? 201 HIS A CE1 1 -ATOM 1502 N NE2 . HIS A 1 223 ? -26.957 -16.220 -35.847 1.00 66.33 ? 201 HIS A NE2 1 -ATOM 1503 N N . PHE A 1 224 ? -23.833 -21.918 -37.515 1.00 60.55 ? 202 PHE A N 1 -ATOM 1504 C CA . PHE A 1 224 ? -22.974 -22.772 -38.313 1.00 59.87 ? 202 PHE A CA 1 -ATOM 1505 C C . PHE A 1 224 ? -22.052 -23.637 -37.462 1.00 67.50 ? 202 PHE A C 1 -ATOM 1506 O O . PHE A 1 224 ? -22.000 -23.483 -36.240 1.00 64.66 ? 202 PHE A O 1 -ATOM 1507 C CB . PHE A 1 224 ? -22.136 -21.919 -39.259 1.00 57.73 ? 202 PHE A CB 1 -ATOM 1508 C CG . PHE A 1 224 ? -21.244 -20.928 -38.568 1.00 57.18 ? 202 PHE A CG 1 -ATOM 1509 C CD1 . PHE A 1 224 ? -20.026 -21.320 -38.029 1.00 58.96 ? 202 PHE A CD1 1 -ATOM 1510 C CD2 . PHE A 1 224 ? -21.594 -19.589 -38.507 1.00 61.37 ? 202 PHE A CD2 1 -ATOM 1511 C CE1 . PHE A 1 224 ? -19.186 -20.404 -37.412 1.00 58.47 ? 202 PHE A CE1 1 -ATOM 1512 C CE2 . PHE A 1 224 ? -20.751 -18.659 -37.893 1.00 63.38 ? 202 PHE A CE2 1 -ATOM 1513 C CZ . PHE A 1 224 ? -19.547 -19.071 -37.346 1.00 63.88 ? 202 PHE A CZ 1 -ATOM 1514 N N . GLY A 1 225 ? -21.292 -24.514 -38.118 1.00 62.13 ? 203 GLY A N 1 -ATOM 1515 C CA . GLY A 1 225 ? -20.270 -25.268 -37.423 1.00 59.32 ? 203 GLY A CA 1 -ATOM 1516 C C . GLY A 1 225 ? -20.762 -26.546 -36.789 1.00 60.12 ? 203 GLY A C 1 -ATOM 1517 O O . GLY A 1 225 ? -21.820 -27.083 -37.156 1.00 60.36 ? 203 GLY A O 1 -ATOM 1518 N N . GLU A 1 226 ? -19.969 -27.046 -35.842 1.00 61.67 ? 204 GLU A N 1 -ATOM 1519 C CA . GLU A 1 226 ? -20.216 -28.352 -35.235 1.00 61.84 ? 204 GLU A CA 1 -ATOM 1520 C C . GLU A 1 226 ? -21.392 -28.379 -34.271 1.00 55.03 ? 204 GLU A C 1 -ATOM 1521 O O . GLU A 1 226 ? -21.851 -27.343 -33.797 1.00 63.27 ? 204 GLU A O 1 -ATOM 1522 C CB . GLU A 1 226 ? -18.946 -28.846 -34.538 1.00 58.43 ? 204 GLU A CB 1 -ATOM 1523 C CG . GLU A 1 226 ? -17.954 -29.527 -35.469 1.00 65.92 ? 204 GLU A CG 1 -ATOM 1524 C CD . GLU A 1 226 ? -18.425 -30.932 -35.899 1.00 81.15 ? 204 GLU A CD 1 -ATOM 1525 O OE1 . GLU A 1 226 ? -18.320 -31.882 -35.081 1.00 76.03 ? 204 GLU A OE1 1 -ATOM 1526 O OE2 . GLU A 1 226 ? -18.880 -31.094 -37.059 1.00 78.44 ? 204 GLU A OE2 1 -ATOM 1527 N N . PRO A 1 227 ? -21.897 -29.580 -33.981 1.00 56.34 ? 205 PRO A N 1 -ATOM 1528 C CA . PRO A 1 227 ? -23.103 -29.639 -33.156 1.00 51.79 ? 205 PRO A CA 1 -ATOM 1529 C C . PRO A 1 227 ? -22.903 -29.131 -31.736 1.00 57.53 ? 205 PRO A C 1 -ATOM 1530 O O . PRO A 1 227 ? -21.784 -28.894 -31.264 1.00 53.46 ? 205 PRO A O 1 -ATOM 1531 C CB . PRO A 1 227 ? -23.443 -31.130 -33.138 1.00 56.13 ? 205 PRO A CB 1 -ATOM 1532 C CG . PRO A 1 227 ? -22.770 -31.689 -34.352 1.00 46.24 ? 205 PRO A CG 1 -ATOM 1533 C CD . PRO A 1 227 ? -21.518 -30.903 -34.499 1.00 53.66 ? 205 PRO A CD 1 -ATOM 1534 N N . LYS A 1 228 ? -24.039 -28.960 -31.074 1.00 50.71 ? 206 LYS A N 1 -ATOM 1535 C CA . LYS A 1 228 ? -24.127 -28.565 -29.690 1.00 46.47 ? 206 LYS A CA 1 -ATOM 1536 C C . LYS A 1 228 ? -25.033 -29.633 -29.083 1.00 51.85 ? 206 LYS A C 1 -ATOM 1537 O O . LYS A 1 228 ? -26.107 -29.870 -29.611 1.00 51.65 ? 206 LYS A O 1 -ATOM 1538 C CB . LYS A 1 228 ? -24.714 -27.147 -29.572 1.00 49.57 ? 206 LYS A CB 1 -ATOM 1539 C CG . LYS A 1 228 ? -24.742 -26.566 -28.186 1.00 52.97 ? 206 LYS A CG 1 -ATOM 1540 C CD . LYS A 1 228 ? -25.586 -25.288 -28.136 1.00 63.47 ? 206 LYS A CD 1 -ATOM 1541 C CE . LYS A 1 228 ? -24.867 -24.079 -28.700 1.00 54.13 ? 206 LYS A CE 1 -ATOM 1542 N NZ . LYS A 1 228 ? -23.708 -23.705 -27.844 1.00 45.41 ? 206 LYS A NZ 1 -ATOM 1543 N N . SER A 1 229 ? -24.594 -30.328 -28.036 1.00 55.37 ? 207 SER A N 1 -ATOM 1544 C CA . SER A 1 229 ? -25.435 -31.354 -27.409 1.00 51.19 ? 207 SER A CA 1 -ATOM 1545 C C . SER A 1 229 ? -26.003 -30.804 -26.121 1.00 50.12 ? 207 SER A C 1 -ATOM 1546 O O . SER A 1 229 ? -25.326 -30.058 -25.423 1.00 47.85 ? 207 SER A O 1 -ATOM 1547 C CB . SER A 1 229 ? -24.664 -32.657 -27.115 1.00 51.65 ? 207 SER A CB 1 -ATOM 1548 O OG . SER A 1 229 ? -24.316 -33.349 -28.302 1.00 54.66 ? 207 SER A OG 1 -ATOM 1549 N N . TRP A 1 230 ? -27.233 -31.212 -25.812 1.00 49.65 ? 208 TRP A N 1 -ATOM 1550 C CA . TRP A 1 230 ? -28.013 -30.706 -24.698 1.00 46.73 ? 208 TRP A CA 1 -ATOM 1551 C C . TRP A 1 230 ? -28.484 -31.825 -23.799 1.00 46.47 ? 208 TRP A C 1 -ATOM 1552 O O . TRP A 1 230 ? -28.807 -32.892 -24.295 1.00 44.49 ? 208 TRP A O 1 -ATOM 1553 C CB . TRP A 1 230 ? -29.255 -29.956 -25.198 1.00 41.94 ? 208 TRP A CB 1 -ATOM 1554 C CG . TRP A 1 230 ? -29.011 -28.743 -25.964 1.00 44.31 ? 208 TRP A CG 1 -ATOM 1555 C CD1 . TRP A 1 230 ? -28.419 -28.654 -27.175 1.00 55.52 ? 208 TRP A CD1 1 -ATOM 1556 C CD2 . TRP A 1 230 ? -29.382 -27.410 -25.597 1.00 44.05 ? 208 TRP A CD2 1 -ATOM 1557 N NE1 . TRP A 1 230 ? -28.385 -27.345 -27.591 1.00 49.81 ? 208 TRP A NE1 1 -ATOM 1558 C CE2 . TRP A 1 230 ? -28.975 -26.564 -26.635 1.00 43.83 ? 208 TRP A CE2 1 -ATOM 1559 C CE3 . TRP A 1 230 ? -30.021 -26.855 -24.489 1.00 56.89 ? 208 TRP A CE3 1 -ATOM 1560 C CZ2 . TRP A 1 230 ? -29.173 -25.183 -26.598 1.00 58.23 ? 208 TRP A CZ2 1 -ATOM 1561 C CZ3 . TRP A 1 230 ? -30.230 -25.489 -24.458 1.00 58.66 ? 208 TRP A CZ3 1 -ATOM 1562 C CH2 . TRP A 1 230 ? -29.803 -24.666 -25.504 1.00 57.61 ? 208 TRP A CH2 1 -ATOM 1563 N N . TYR A 1 231 ? -28.525 -31.572 -22.487 1.00 46.95 ? 209 TYR A N 1 -ATOM 1564 C CA . TYR A 1 231 ? -29.273 -32.400 -21.536 1.00 39.10 ? 209 TYR A CA 1 -ATOM 1565 C C . TYR A 1 231 ? -30.355 -31.526 -20.915 1.00 52.52 ? 209 TYR A C 1 -ATOM 1566 O O . TYR A 1 231 ? -30.175 -30.290 -20.808 1.00 34.59 ? 209 TYR A O 1 -ATOM 1567 C CB . TYR A 1 231 ? -28.390 -32.965 -20.430 1.00 40.40 ? 209 TYR A CB 1 -ATOM 1568 C CG . TYR A 1 231 ? -27.172 -33.744 -20.909 1.00 46.97 ? 209 TYR A CG 1 -ATOM 1569 C CD1 . TYR A 1 231 ? -27.234 -35.125 -21.130 1.00 49.50 ? 209 TYR A CD1 1 -ATOM 1570 C CD2 . TYR A 1 231 ? -25.959 -33.100 -21.119 1.00 45.33 ? 209 TYR A CD2 1 -ATOM 1571 C CE1 . TYR A 1 231 ? -26.107 -35.838 -21.552 1.00 49.10 ? 209 TYR A CE1 1 -ATOM 1572 C CE2 . TYR A 1 231 ? -24.839 -33.796 -21.555 1.00 51.18 ? 209 TYR A CE2 1 -ATOM 1573 C CZ . TYR A 1 231 ? -24.916 -35.159 -21.760 1.00 49.72 ? 209 TYR A CZ 1 -ATOM 1574 O OH . TYR A 1 231 ? -23.798 -35.823 -22.183 1.00 56.00 ? 209 TYR A OH 1 -ATOM 1575 N N . SER A 1 232 ? -31.442 -32.166 -20.471 1.00 37.90 ? 210 SER A N 1 -ATOM 1576 C CA A SER A 1 232 ? -32.618 -31.456 -19.982 0.30 44.31 ? 210 SER A CA 1 -ATOM 1577 C CA B SER A 1 232 ? -32.605 -31.442 -19.967 0.70 44.34 ? 210 SER A CA 1 -ATOM 1578 C C . SER A 1 232 ? -33.354 -32.237 -18.898 1.00 53.89 ? 210 SER A C 1 -ATOM 1579 O O . SER A 1 232 ? -33.461 -33.456 -18.974 1.00 51.00 ? 210 SER A O 1 -ATOM 1580 C CB A SER A 1 232 ? -33.570 -31.185 -21.140 0.30 46.44 ? 210 SER A CB 1 -ATOM 1581 C CB B SER A 1 232 ? -33.534 -31.093 -21.137 0.70 46.43 ? 210 SER A CB 1 -ATOM 1582 O OG A SER A 1 232 ? -34.058 -32.415 -21.654 0.30 50.81 ? 210 SER A OG 1 -ATOM 1583 O OG B SER A 1 232 ? -34.808 -30.627 -20.720 0.70 51.13 ? 210 SER A OG 1 -ATOM 1584 N N . VAL A 1 233 ? -33.849 -31.536 -17.883 1.00 41.76 ? 211 VAL A N 1 -ATOM 1585 C CA . VAL A 1 233 ? -34.724 -32.139 -16.885 1.00 40.23 ? 211 VAL A CA 1 -ATOM 1586 C C . VAL A 1 233 ? -36.119 -31.503 -16.976 1.00 52.12 ? 211 VAL A C 1 -ATOM 1587 O O . VAL A 1 233 ? -36.244 -30.261 -16.981 1.00 47.98 ? 211 VAL A O 1 -ATOM 1588 C CB . VAL A 1 233 ? -34.168 -31.992 -15.456 1.00 49.17 ? 211 VAL A CB 1 -ATOM 1589 C CG1 . VAL A 1 233 ? -35.162 -32.513 -14.427 1.00 48.82 ? 211 VAL A CG1 1 -ATOM 1590 C CG2 . VAL A 1 233 ? -32.865 -32.751 -15.312 1.00 41.89 ? 211 VAL A CG2 1 -ATOM 1591 N N . PRO A 1 234 ? -37.173 -32.340 -17.091 1.00 54.48 ? 212 PRO A N 1 -ATOM 1592 C CA . PRO A 1 234 ? -38.539 -31.803 -17.200 1.00 51.18 ? 212 PRO A CA 1 -ATOM 1593 C C . PRO A 1 234 ? -38.864 -30.865 -16.043 1.00 41.56 ? 212 PRO A C 1 -ATOM 1594 O O . PRO A 1 234 ? -38.490 -31.150 -14.898 1.00 47.35 ? 212 PRO A O 1 -ATOM 1595 C CB . PRO A 1 234 ? -39.425 -33.058 -17.155 1.00 53.08 ? 212 PRO A CB 1 -ATOM 1596 C CG . PRO A 1 234 ? -38.511 -34.162 -17.658 1.00 53.92 ? 212 PRO A CG 1 -ATOM 1597 C CD . PRO A 1 234 ? -37.145 -33.812 -17.143 1.00 48.60 ? 212 PRO A CD 1 -ATOM 1598 N N . PRO A 1 235 ? -39.543 -29.751 -16.334 1.00 40.43 ? 213 PRO A N 1 -ATOM 1599 C CA . PRO A 1 235 ? -39.931 -28.797 -15.285 1.00 34.94 ? 213 PRO A CA 1 -ATOM 1600 C C . PRO A 1 235 ? -40.600 -29.485 -14.097 1.00 44.82 ? 213 PRO A C 1 -ATOM 1601 O O . PRO A 1 235 ? -40.391 -29.086 -12.960 1.00 50.40 ? 213 PRO A O 1 -ATOM 1602 C CB . PRO A 1 235 ? -40.907 -27.868 -16.007 1.00 39.06 ? 213 PRO A CB 1 -ATOM 1603 C CG . PRO A 1 235 ? -40.412 -27.838 -17.401 1.00 42.87 ? 213 PRO A CG 1 -ATOM 1604 C CD . PRO A 1 235 ? -39.852 -29.246 -17.682 1.00 40.80 ? 213 PRO A CD 1 -ATOM 1605 N N . GLU A 1 236 ? -41.378 -30.536 -14.332 1.00 50.48 ? 214 GLU A N 1 -ATOM 1606 C CA . GLU A 1 236 ? -42.089 -31.134 -13.215 1.00 46.06 ? 214 GLU A CA 1 -ATOM 1607 C C . GLU A 1 236 ? -41.152 -31.901 -12.263 1.00 51.41 ? 214 GLU A C 1 -ATOM 1608 O O . GLU A 1 236 ? -41.552 -32.243 -11.142 1.00 53.01 ? 214 GLU A O 1 -ATOM 1609 C CB . GLU A 1 236 ? -43.208 -32.033 -13.738 1.00 54.17 ? 214 GLU A CB 1 -ATOM 1610 C CG . GLU A 1 236 ? -42.759 -33.162 -14.657 1.00 67.84 ? 214 GLU A CG 1 -ATOM 1611 C CD . GLU A 1 236 ? -43.795 -33.480 -15.747 1.00 76.75 ? 214 GLU A CD 1 -ATOM 1612 O OE1 . GLU A 1 236 ? -44.196 -32.541 -16.477 1.00 69.94 ? 214 GLU A OE1 1 -ATOM 1613 O OE2 . GLU A 1 236 ? -44.210 -34.661 -15.867 1.00 76.20 ? 214 GLU A OE2 1 -ATOM 1614 N N . HIS A 1 237 ? -39.891 -32.106 -12.657 1.00 45.47 ? 215 HIS A N 1 -ATOM 1615 C CA . HIS A 1 237 ? -38.925 -32.716 -11.738 1.00 44.69 ? 215 HIS A CA 1 -ATOM 1616 C C . HIS A 1 237 ? -37.739 -31.822 -11.364 1.00 54.33 ? 215 HIS A C 1 -ATOM 1617 O O . HIS A 1 237 ? -36.809 -32.265 -10.680 1.00 46.06 ? 215 HIS A O 1 -ATOM 1618 C CB . HIS A 1 237 ? -38.362 -34.005 -12.338 1.00 46.45 ? 215 HIS A CB 1 -ATOM 1619 C CG . HIS A 1 237 ? -39.383 -35.070 -12.553 1.00 50.18 ? 215 HIS A CG 1 -ATOM 1620 N ND1 . HIS A 1 237 ? -39.858 -35.867 -11.533 1.00 61.34 ? 215 HIS A ND1 1 -ATOM 1621 C CD2 . HIS A 1 237 ? -39.993 -35.499 -13.683 1.00 54.77 ? 215 HIS A CD2 1 -ATOM 1622 C CE1 . HIS A 1 237 ? -40.734 -36.725 -12.024 1.00 51.29 ? 215 HIS A CE1 1 -ATOM 1623 N NE2 . HIS A 1 237 ? -40.831 -36.524 -13.326 1.00 48.17 ? 215 HIS A NE2 1 -ATOM 1624 N N . GLY A 1 238 ? -37.780 -30.560 -11.768 1.00 46.56 ? 216 GLY A N 1 -ATOM 1625 C CA . GLY A 1 238 ? -36.692 -29.655 -11.461 1.00 40.02 ? 216 GLY A CA 1 -ATOM 1626 C C . GLY A 1 238 ? -36.364 -29.602 -9.987 1.00 45.32 ? 216 GLY A C 1 -ATOM 1627 O O . GLY A 1 238 ? -35.192 -29.531 -9.620 1.00 40.81 ? 216 GLY A O 1 -ATOM 1628 N N . LYS A 1 239 ? -37.386 -29.643 -9.130 1.00 47.99 ? 217 LYS A N 1 -ATOM 1629 C CA . LYS A 1 239 ? -37.145 -29.615 -7.681 1.00 39.76 ? 217 LYS A CA 1 -ATOM 1630 C C . LYS A 1 239 ? -36.329 -30.796 -7.192 1.00 43.65 ? 217 LYS A C 1 -ATOM 1631 O O . LYS A 1 239 ? -35.607 -30.666 -6.210 1.00 49.61 ? 217 LYS A O 1 -ATOM 1632 C CB . LYS A 1 239 ? -38.445 -29.557 -6.896 1.00 35.85 ? 217 LYS A CB 1 -ATOM 1633 C CG . LYS A 1 239 ? -39.027 -28.134 -6.747 1.00 60.92 ? 217 LYS A CG 1 -ATOM 1634 C CD . LYS A 1 239 ? -38.241 -27.263 -5.754 1.00 58.96 ? 217 LYS A CD 1 -ATOM 1635 C CE . LYS A 1 239 ? -38.801 -25.838 -5.737 1.00 68.15 ? 217 LYS A CE 1 -ATOM 1636 N NZ . LYS A 1 239 ? -37.989 -24.893 -4.902 1.00 77.06 ? 217 LYS A NZ 1 -ATOM 1637 N N . ARG A 1 240 ? -36.451 -31.951 -7.847 1.00 42.61 ? 218 ARG A N 1 -ATOM 1638 C CA . ARG A 1 240 ? -35.672 -33.104 -7.418 1.00 49.79 ? 218 ARG A CA 1 -ATOM 1639 C C . ARG A 1 240 ? -34.196 -32.876 -7.687 1.00 39.10 ? 218 ARG A C 1 -ATOM 1640 O O . ARG A 1 240 ? -33.378 -33.248 -6.874 1.00 42.65 ? 218 ARG A O 1 -ATOM 1641 C CB . ARG A 1 240 ? -36.144 -34.386 -8.109 1.00 49.11 ? 218 ARG A CB 1 -ATOM 1642 C CG . ARG A 1 240 ? -37.554 -34.819 -7.723 1.00 50.56 ? 218 ARG A CG 1 -ATOM 1643 C CD . ARG A 1 240 ? -37.869 -36.064 -8.501 1.00 69.47 ? 218 ARG A CD 1 -ATOM 1644 N NE . ARG A 1 240 ? -36.959 -37.111 -8.061 1.00 64.04 ? 218 ARG A NE 1 -ATOM 1645 C CZ . ARG A 1 240 ? -37.027 -38.372 -8.438 1.00 70.51 ? 218 ARG A CZ 1 -ATOM 1646 N NH1 . ARG A 1 240 ? -37.971 -38.760 -9.290 1.00 86.33 ? 218 ARG A NH1 1 -ATOM 1647 N NH2 . ARG A 1 240 ? -36.131 -39.234 -7.975 1.00 70.10 ? 218 ARG A NH2 1 -ATOM 1648 N N . LEU A 1 241 ? -33.879 -32.268 -8.837 1.00 44.96 ? 219 LEU A N 1 -ATOM 1649 C CA . LEU A 1 241 ? -32.506 -31.917 -9.211 1.00 39.65 ? 219 LEU A CA 1 -ATOM 1650 C C . LEU A 1 241 ? -31.903 -30.934 -8.209 1.00 47.91 ? 219 LEU A C 1 -ATOM 1651 O O . LEU A 1 241 ? -30.708 -31.010 -7.914 1.00 48.85 ? 219 LEU A O 1 -ATOM 1652 C CB . LEU A 1 241 ? -32.448 -31.356 -10.649 1.00 36.28 ? 219 LEU A CB 1 -ATOM 1653 C CG . LEU A 1 241 ? -31.049 -30.980 -11.253 1.00 56.44 ? 219 LEU A CG 1 -ATOM 1654 C CD1 . LEU A 1 241 ? -30.165 -32.145 -11.726 1.00 37.88 ? 219 LEU A CD1 1 -ATOM 1655 C CD2 . LEU A 1 241 ? -31.166 -30.016 -12.420 1.00 44.69 ? 219 LEU A CD2 1 -ATOM 1656 N N . GLU A 1 242 ? -32.724 -30.022 -7.681 1.00 47.73 ? 220 GLU A N 1 -ATOM 1657 C CA . GLU A 1 242 ? -32.244 -29.023 -6.722 1.00 51.51 ? 220 GLU A CA 1 -ATOM 1658 C C . GLU A 1 242 ? -31.939 -29.649 -5.375 1.00 46.97 ? 220 GLU A C 1 -ATOM 1659 O O . GLU A 1 242 ? -30.977 -29.279 -4.710 1.00 46.80 ? 220 GLU A O 1 -ATOM 1660 C CB . GLU A 1 242 ? -33.266 -27.886 -6.517 1.00 45.72 ? 220 GLU A CB 1 -ATOM 1661 C CG . GLU A 1 242 ? -33.368 -26.904 -7.674 1.00 42.52 ? 220 GLU A CG 1 -ATOM 1662 C CD . GLU A 1 242 ? -34.415 -25.796 -7.432 1.00 43.70 ? 220 GLU A CD 1 -ATOM 1663 O OE1 . GLU A 1 242 ? -34.864 -25.617 -6.281 1.00 56.23 ? 220 GLU A OE1 1 -ATOM 1664 O OE2 . GLU A 1 242 ? -34.783 -25.112 -8.410 1.00 43.19 ? 220 GLU A OE2 1 -ATOM 1665 N N A ARG A 1 243 ? -32.789 -30.570 -4.945 0.49 42.56 ? 221 ARG A N 1 -ATOM 1666 N N B ARG A 1 243 ? -32.782 -30.586 -4.962 0.51 42.55 ? 221 ARG A N 1 -ATOM 1667 C CA A ARG A 1 243 ? -32.564 -31.261 -3.679 0.49 47.02 ? 221 ARG A CA 1 -ATOM 1668 C CA B ARG A 1 243 ? -32.564 -31.287 -3.702 0.51 46.95 ? 221 ARG A CA 1 -ATOM 1669 C C A ARG A 1 243 ? -31.282 -32.105 -3.749 0.49 48.23 ? 221 ARG A C 1 -ATOM 1670 C C B ARG A 1 243 ? -31.244 -32.046 -3.774 0.51 48.24 ? 221 ARG A C 1 -ATOM 1671 O O A ARG A 1 243 ? -30.557 -32.240 -2.759 0.49 48.08 ? 221 ARG A O 1 -ATOM 1672 O O B ARG A 1 243 ? -30.456 -32.058 -2.824 0.51 48.25 ? 221 ARG A O 1 -ATOM 1673 C CB A ARG A 1 243 ? -33.798 -32.089 -3.302 0.49 45.36 ? 221 ARG A CB 1 -ATOM 1674 C CB B ARG A 1 243 ? -33.725 -32.240 -3.409 0.51 45.33 ? 221 ARG A CB 1 -ATOM 1675 C CG A ARG A 1 243 ? -35.055 -31.204 -3.227 0.49 46.79 ? 221 ARG A CG 1 -ATOM 1676 C CG B ARG A 1 243 ? -33.665 -32.924 -2.060 0.51 44.04 ? 221 ARG A CG 1 -ATOM 1677 C CD A ARG A 1 243 ? -36.168 -31.794 -2.373 0.49 50.49 ? 221 ARG A CD 1 -ATOM 1678 C CD B ARG A 1 243 ? -35.077 -33.139 -1.511 0.51 52.31 ? 221 ARG A CD 1 -ATOM 1679 N NE A ARG A 1 243 ? -37.442 -31.894 -3.086 0.49 42.40 ? 221 ARG A NE 1 -ATOM 1680 N NE B ARG A 1 243 ? -35.536 -31.992 -0.724 0.51 47.86 ? 221 ARG A NE 1 -ATOM 1681 C CZ A ARG A 1 243 ? -37.859 -33.007 -3.671 0.49 50.48 ? 221 ARG A CZ 1 -ATOM 1682 C CZ B ARG A 1 243 ? -35.756 -32.039 0.584 0.51 45.96 ? 221 ARG A CZ 1 -ATOM 1683 N NH1 A ARG A 1 243 ? -37.093 -34.088 -3.617 0.49 47.40 ? 221 ARG A NH1 1 -ATOM 1684 N NH1 B ARG A 1 243 ? -35.571 -33.179 1.235 0.51 49.78 ? 221 ARG A NH1 1 -ATOM 1685 N NH2 A ARG A 1 243 ? -39.034 -33.045 -4.293 0.49 53.81 ? 221 ARG A NH2 1 -ATOM 1686 N NH2 B ARG A 1 243 ? -36.159 -30.958 1.239 0.51 51.99 ? 221 ARG A NH2 1 -ATOM 1687 N N . LEU A 1 244 ? -31.002 -32.651 -4.929 1.00 39.60 ? 222 LEU A N 1 -ATOM 1688 C CA . LEU A 1 244 ? -29.790 -33.417 -5.158 1.00 48.12 ? 222 LEU A CA 1 -ATOM 1689 C C . LEU A 1 244 ? -28.572 -32.486 -5.160 1.00 49.47 ? 222 LEU A C 1 -ATOM 1690 O O . LEU A 1 244 ? -27.543 -32.751 -4.534 1.00 39.56 ? 222 LEU A O 1 -ATOM 1691 C CB . LEU A 1 244 ? -29.906 -34.162 -6.487 1.00 43.49 ? 222 LEU A CB 1 -ATOM 1692 C CG . LEU A 1 244 ? -28.776 -35.128 -6.839 1.00 56.08 ? 222 LEU A CG 1 -ATOM 1693 C CD1 . LEU A 1 244 ? -28.760 -36.264 -5.847 1.00 52.39 ? 222 LEU A CD1 1 -ATOM 1694 C CD2 . LEU A 1 244 ? -28.931 -35.640 -8.273 1.00 46.69 ? 222 LEU A CD2 1 -ATOM 1695 N N . ALA A 1 245 ? -28.710 -31.366 -5.856 1.00 50.03 ? 223 ALA A N 1 -ATOM 1696 C CA . ALA A 1 245 ? -27.629 -30.406 -5.934 1.00 44.68 ? 223 ALA A CA 1 -ATOM 1697 C C . ALA A 1 245 ? -27.267 -29.841 -4.551 1.00 45.37 ? 223 ALA A C 1 -ATOM 1698 O O . ALA A 1 245 ? -26.087 -29.644 -4.262 1.00 51.27 ? 223 ALA A O 1 -ATOM 1699 C CB . ALA A 1 245 ? -28.001 -29.294 -6.897 1.00 48.41 ? 223 ALA A CB 1 -ATOM 1700 N N . LYS A 1 246 ? -28.257 -29.614 -3.680 1.00 52.15 ? 224 LYS A N 1 -ATOM 1701 C CA . LYS A 1 246 ? -27.960 -29.076 -2.341 1.00 53.48 ? 224 LYS A CA 1 -ATOM 1702 C C . LYS A 1 246 ? -27.338 -30.095 -1.390 1.00 56.22 ? 224 LYS A C 1 -ATOM 1703 O O . LYS A 1 246 ? -26.708 -29.726 -0.391 1.00 54.60 ? 224 LYS A O 1 -ATOM 1704 C CB . LYS A 1 246 ? -29.207 -28.484 -1.678 1.00 41.15 ? 224 LYS A CB 1 -ATOM 1705 C CG . LYS A 1 246 ? -29.808 -27.283 -2.406 1.00 61.30 ? 224 LYS A CG 1 -ATOM 1706 C CD . LYS A 1 246 ? -31.063 -26.721 -1.709 1.00 56.77 ? 224 LYS A CD 1 -ATOM 1707 C CE . LYS A 1 246 ? -32.376 -27.230 -2.312 1.00 65.66 ? 224 LYS A CE 1 -ATOM 1708 N NZ . LYS A 1 246 ? -33.400 -26.129 -2.514 1.00 77.78 ? 224 LYS A NZ 1 -ATOM 1709 N N . GLY A 1 247 ? -27.495 -31.373 -1.706 1.00 53.30 ? 225 GLY A N 1 -ATOM 1710 C CA . GLY A 1 247 ? -26.835 -32.418 -0.953 1.00 36.26 ? 225 GLY A CA 1 -ATOM 1711 C C . GLY A 1 247 ? -25.387 -32.552 -1.386 1.00 49.00 ? 225 GLY A C 1 -ATOM 1712 O O . GLY A 1 247 ? -24.503 -32.822 -0.583 1.00 50.57 ? 225 GLY A O 1 -ATOM 1713 N N . PHE A 1 248 ? -25.128 -32.370 -2.670 1.00 48.40 ? 226 PHE A N 1 -ATOM 1714 C CA . PHE A 1 248 ? -23.766 -32.514 -3.155 1.00 52.70 ? 226 PHE A CA 1 -ATOM 1715 C C . PHE A 1 248 ? -22.907 -31.293 -2.868 1.00 51.84 ? 226 PHE A C 1 -ATOM 1716 O O . PHE A 1 248 ? -21.714 -31.427 -2.659 1.00 53.15 ? 226 PHE A O 1 -ATOM 1717 C CB . PHE A 1 248 ? -23.768 -32.776 -4.644 1.00 47.79 ? 226 PHE A CB 1 -ATOM 1718 C CG . PHE A 1 248 ? -23.997 -34.198 -4.989 1.00 62.05 ? 226 PHE A CG 1 -ATOM 1719 C CD1 . PHE A 1 248 ? -23.340 -35.197 -4.283 1.00 57.71 ? 226 PHE A CD1 1 -ATOM 1720 C CD2 . PHE A 1 248 ? -24.861 -34.548 -6.012 1.00 66.26 ? 226 PHE A CD2 1 -ATOM 1721 C CE1 . PHE A 1 248 ? -23.524 -36.523 -4.601 1.00 66.19 ? 226 PHE A CE1 1 -ATOM 1722 C CE2 . PHE A 1 248 ? -25.059 -35.876 -6.339 1.00 64.42 ? 226 PHE A CE2 1 -ATOM 1723 C CZ . PHE A 1 248 ? -24.391 -36.866 -5.628 1.00 70.45 ? 226 PHE A CZ 1 -ATOM 1724 N N . PHE A 1 249 ? -23.520 -30.115 -2.840 1.00 49.30 ? 227 PHE A N 1 -ATOM 1725 C CA . PHE A 1 249 ? -22.791 -28.878 -2.566 1.00 50.15 ? 227 PHE A CA 1 -ATOM 1726 C C . PHE A 1 249 ? -23.354 -28.101 -1.376 1.00 52.90 ? 227 PHE A C 1 -ATOM 1727 O O . PHE A 1 249 ? -23.909 -27.019 -1.564 1.00 52.74 ? 227 PHE A O 1 -ATOM 1728 C CB . PHE A 1 249 ? -22.795 -27.992 -3.811 1.00 41.36 ? 227 PHE A CB 1 -ATOM 1729 C CG . PHE A 1 249 ? -22.113 -28.614 -5.004 1.00 46.83 ? 227 PHE A CG 1 -ATOM 1730 C CD1 . PHE A 1 249 ? -20.741 -28.492 -5.176 1.00 50.85 ? 227 PHE A CD1 1 -ATOM 1731 C CD2 . PHE A 1 249 ? -22.837 -29.319 -5.951 1.00 50.06 ? 227 PHE A CD2 1 -ATOM 1732 C CE1 . PHE A 1 249 ? -20.099 -29.067 -6.283 1.00 50.36 ? 227 PHE A CE1 1 -ATOM 1733 C CE2 . PHE A 1 249 ? -22.201 -29.892 -7.059 1.00 53.60 ? 227 PHE A CE2 1 -ATOM 1734 C CZ . PHE A 1 249 ? -20.825 -29.761 -7.216 1.00 47.84 ? 227 PHE A CZ 1 -ATOM 1735 N N . PRO A 1 250 ? -23.225 -28.655 -0.149 1.00 53.83 ? 228 PRO A N 1 -ATOM 1736 C CA . PRO A 1 250 ? -23.831 -28.078 1.063 1.00 42.45 ? 228 PRO A CA 1 -ATOM 1737 C C . PRO A 1 250 ? -23.299 -26.707 1.488 1.00 59.24 ? 228 PRO A C 1 -ATOM 1738 O O . PRO A 1 250 ? -24.053 -25.918 2.089 1.00 55.16 ? 228 PRO A O 1 -ATOM 1739 C CB . PRO A 1 250 ? -23.535 -29.136 2.142 1.00 42.86 ? 228 PRO A CB 1 -ATOM 1740 C CG . PRO A 1 250 ? -22.423 -29.935 1.622 1.00 37.41 ? 228 PRO A CG 1 -ATOM 1741 C CD . PRO A 1 250 ? -22.589 -29.955 0.134 1.00 45.96 ? 228 PRO A CD 1 -ATOM 1742 N N . GLY A 1 251 ? -22.023 -26.435 1.242 1.00 55.58 ? 229 GLY A N 1 -ATOM 1743 C CA . GLY A 1 251 ? -21.498 -25.122 1.561 1.00 55.00 ? 229 GLY A CA 1 -ATOM 1744 C C . GLY A 1 251 ? -22.103 -24.075 0.648 1.00 58.79 ? 229 GLY A C 1 -ATOM 1745 O O . GLY A 1 251 ? -22.493 -22.992 1.094 1.00 65.39 ? 229 GLY A O 1 -ATOM 1746 N N . SER A 1 252 ? -22.191 -24.406 -0.639 1.00 60.84 ? 230 SER A N 1 -ATOM 1747 C CA . SER A 1 252 ? -22.804 -23.526 -1.633 1.00 48.43 ? 230 SER A CA 1 -ATOM 1748 C C . SER A 1 252 ? -24.300 -23.327 -1.396 1.00 57.97 ? 230 SER A C 1 -ATOM 1749 O O . SER A 1 252 ? -24.829 -22.221 -1.587 1.00 62.42 ? 230 SER A O 1 -ATOM 1750 C CB . SER A 1 252 ? -22.565 -24.072 -3.034 1.00 51.17 ? 230 SER A CB 1 -ATOM 1751 O OG . SER A 1 252 ? -21.241 -23.811 -3.458 1.00 60.61 ? 230 SER A OG 1 -ATOM 1752 N N . ALA A 1 253 ? -24.982 -24.403 -1.002 1.00 52.16 ? 231 ALA A N 1 -ATOM 1753 C CA . ALA A 1 253 ? -26.410 -24.332 -0.701 1.00 61.55 ? 231 ALA A CA 1 -ATOM 1754 C C . ALA A 1 253 ? -26.641 -23.357 0.437 1.00 59.71 ? 231 ALA A C 1 -ATOM 1755 O O . ALA A 1 253 ? -27.524 -22.504 0.369 1.00 60.84 ? 231 ALA A O 1 -ATOM 1756 C CB . ALA A 1 253 ? -26.973 -25.715 -0.342 1.00 56.49 ? 231 ALA A CB 1 -ATOM 1757 N N . GLN A 1 254 ? -25.820 -23.493 1.475 1.00 59.92 ? 232 GLN A N 1 -ATOM 1758 C CA . GLN A 1 254 ? -25.905 -22.669 2.675 1.00 60.68 ? 232 GLN A CA 1 -ATOM 1759 C C . GLN A 1 254 ? -25.637 -21.175 2.417 1.00 55.55 ? 232 GLN A C 1 -ATOM 1760 O O . GLN A 1 254 ? -26.117 -20.335 3.150 1.00 60.07 ? 232 GLN A O 1 -ATOM 1761 C CB . GLN A 1 254 ? -24.918 -23.191 3.728 1.00 60.18 ? 232 GLN A CB 1 -ATOM 1762 C CG . GLN A 1 254 ? -25.220 -22.772 5.164 1.00 75.44 ? 232 GLN A CG 1 -ATOM 1763 C CD . GLN A 1 254 ? -26.459 -23.456 5.732 1.00 95.81 ? 232 GLN A CD 1 -ATOM 1764 O OE1 . GLN A 1 254 ? -26.949 -24.454 5.184 1.00 86.16 ? 232 GLN A OE1 1 -ATOM 1765 N NE2 . GLN A 1 254 ? -26.972 -22.921 6.838 1.00 96.38 ? 232 GLN A NE2 1 -ATOM 1766 N N . SER A 1 255 ? -24.884 -20.850 1.373 1.00 49.98 ? 233 SER A N 1 -ATOM 1767 C CA . SER A 1 255 ? -24.394 -19.489 1.188 1.00 65.55 ? 233 SER A CA 1 -ATOM 1768 C C . SER A 1 255 ? -25.188 -18.716 0.139 1.00 69.59 ? 233 SER A C 1 -ATOM 1769 O O . SER A 1 255 ? -24.928 -17.543 -0.137 1.00 64.95 ? 233 SER A O 1 -ATOM 1770 C CB . SER A 1 255 ? -22.927 -19.531 0.778 1.00 58.64 ? 233 SER A CB 1 -ATOM 1771 O OG . SER A 1 255 ? -22.151 -20.186 1.763 1.00 79.74 ? 233 SER A OG 1 -ATOM 1772 N N . CYS A 1 256 ? -26.165 -19.387 -0.440 1.00 60.80 ? 234 CYS A N 1 -ATOM 1773 C CA . CYS A 1 256 ? -27.003 -18.785 -1.444 1.00 55.03 ? 234 CYS A CA 1 -ATOM 1774 C C . CYS A 1 256 ? -28.276 -19.606 -1.575 1.00 60.87 ? 234 CYS A C 1 -ATOM 1775 O O . CYS A 1 256 ? -28.227 -20.839 -1.632 1.00 67.20 ? 234 CYS A O 1 -ATOM 1776 C CB . CYS A 1 256 ? -26.265 -18.690 -2.784 1.00 41.53 ? 234 CYS A CB 1 -ATOM 1777 S SG . CYS A 1 256 ? -27.227 -17.832 -4.068 1.00 56.00 ? 234 CYS A SG 1 -ATOM 1778 N N . GLU A 1 257 ? -29.408 -18.909 -1.616 1.00 68.11 ? 235 GLU A N 1 -ATOM 1779 C CA . GLU A 1 257 ? -30.730 -19.531 -1.696 1.00 62.08 ? 235 GLU A CA 1 -ATOM 1780 C C . GLU A 1 257 ? -30.935 -20.245 -3.028 1.00 55.54 ? 235 GLU A C 1 -ATOM 1781 O O . GLU A 1 257 ? -31.776 -21.126 -3.143 1.00 60.66 ? 235 GLU A O 1 -ATOM 1782 C CB . GLU A 1 257 ? -31.819 -18.474 -1.476 1.00 58.23 ? 235 GLU A CB 1 -ATOM 1783 N N . ALA A 1 258 ? -30.151 -19.872 -4.037 1.00 60.34 ? 236 ALA A N 1 -ATOM 1784 C CA . ALA A 1 258 ? -30.244 -20.526 -5.333 1.00 53.84 ? 236 ALA A CA 1 -ATOM 1785 C C . ALA A 1 258 ? -28.884 -20.665 -6.016 1.00 41.55 ? 236 ALA A C 1 -ATOM 1786 O O . ALA A 1 258 ? -28.693 -20.122 -7.101 1.00 46.29 ? 236 ALA A O 1 -ATOM 1787 C CB . ALA A 1 258 ? -31.201 -19.746 -6.233 1.00 54.39 ? 236 ALA A CB 1 -ATOM 1788 N N . PHE A 1 259 ? -27.969 -21.459 -5.460 1.00 43.15 ? 237 PHE A N 1 -ATOM 1789 C CA . PHE A 1 259 ? -26.579 -21.422 -5.960 1.00 45.20 ? 237 PHE A CA 1 -ATOM 1790 C C . PHE A 1 259 ? -26.428 -21.878 -7.410 1.00 46.81 ? 237 PHE A C 1 -ATOM 1791 O O . PHE A 1 259 ? -25.433 -21.538 -8.072 1.00 48.19 ? 237 PHE A O 1 -ATOM 1792 C CB . PHE A 1 259 ? -25.639 -22.245 -5.057 1.00 52.87 ? 237 PHE A CB 1 -ATOM 1793 C CG . PHE A 1 259 ? -25.793 -23.743 -5.189 1.00 46.07 ? 237 PHE A CG 1 -ATOM 1794 C CD1 . PHE A 1 259 ? -26.875 -24.403 -4.617 1.00 46.30 ? 237 PHE A CD1 1 -ATOM 1795 C CD2 . PHE A 1 259 ? -24.835 -24.489 -5.840 1.00 45.13 ? 237 PHE A CD2 1 -ATOM 1796 C CE1 . PHE A 1 259 ? -27.012 -25.780 -4.731 1.00 47.31 ? 237 PHE A CE1 1 -ATOM 1797 C CE2 . PHE A 1 259 ? -24.960 -25.873 -5.959 1.00 55.89 ? 237 PHE A CE2 1 -ATOM 1798 C CZ . PHE A 1 259 ? -26.065 -26.520 -5.408 1.00 41.16 ? 237 PHE A CZ 1 -ATOM 1799 N N . LEU A 1 260 ? -27.408 -22.618 -7.924 1.00 38.98 ? 238 LEU A N 1 -ATOM 1800 C CA . LEU A 1 260 ? -27.355 -23.066 -9.317 1.00 34.62 ? 238 LEU A CA 1 -ATOM 1801 C C . LEU A 1 260 ? -27.470 -21.927 -10.340 1.00 45.34 ? 238 LEU A C 1 -ATOM 1802 O O . LEU A 1 260 ? -27.001 -22.081 -11.470 1.00 43.67 ? 238 LEU A O 1 -ATOM 1803 C CB . LEU A 1 260 ? -28.446 -24.105 -9.612 1.00 42.65 ? 238 LEU A CB 1 -ATOM 1804 C CG . LEU A 1 260 ? -28.330 -25.545 -9.081 1.00 38.14 ? 238 LEU A CG 1 -ATOM 1805 C CD1 . LEU A 1 260 ? -29.433 -26.350 -9.690 1.00 31.44 ? 238 LEU A CD1 1 -ATOM 1806 C CD2 . LEU A 1 260 ? -26.968 -26.220 -9.340 1.00 43.99 ? 238 LEU A CD2 1 -ATOM 1807 N N . ARG A 1 261 ? -28.100 -20.802 -9.972 1.00 31.54 ? 239 ARG A N 1 -ATOM 1808 C CA . ARG A 1 261 ? -28.108 -19.621 -10.850 1.00 45.26 ? 239 ARG A CA 1 -ATOM 1809 C C . ARG A 1 261 ? -26.692 -19.078 -11.154 1.00 41.25 ? 239 ARG A C 1 -ATOM 1810 O O . ARG A 1 261 ? -26.525 -18.226 -12.026 1.00 49.85 ? 239 ARG A O 1 -ATOM 1811 C CB . ARG A 1 261 ? -28.967 -18.501 -10.246 1.00 47.21 ? 239 ARG A CB 1 -ATOM 1812 C CG . ARG A 1 261 ? -30.413 -18.887 -10.080 1.00 56.40 ? 239 ARG A CG 1 -ATOM 1813 C CD . ARG A 1 261 ? -31.315 -17.797 -10.582 1.00 62.17 ? 239 ARG A CD 1 -ATOM 1814 N NE . ARG A 1 261 ? -32.706 -18.123 -10.308 1.00 62.70 ? 239 ARG A NE 1 -ATOM 1815 C CZ . ARG A 1 261 ? -33.586 -18.508 -11.223 1.00 59.17 ? 239 ARG A CZ 1 -ATOM 1816 N NH1 . ARG A 1 261 ? -33.232 -18.586 -12.498 1.00 54.94 ? 239 ARG A NH1 1 -ATOM 1817 N NH2 . ARG A 1 261 ? -34.829 -18.785 -10.856 1.00 46.34 ? 239 ARG A NH2 1 -ATOM 1818 N N . HIS A 1 262 ? -25.683 -19.519 -10.409 1.00 37.94 ? 240 HIS A N 1 -ATOM 1819 C CA . HIS A 1 262 ? -24.308 -19.114 -10.725 1.00 44.08 ? 240 HIS A CA 1 -ATOM 1820 C C . HIS A 1 262 ? -23.801 -19.782 -11.995 1.00 52.54 ? 240 HIS A C 1 -ATOM 1821 O O . HIS A 1 262 ? -22.772 -19.376 -12.536 1.00 49.26 ? 240 HIS A O 1 -ATOM 1822 C CB . HIS A 1 262 ? -23.381 -19.418 -9.565 1.00 42.64 ? 240 HIS A CB 1 -ATOM 1823 C CG . HIS A 1 262 ? -23.817 -18.791 -8.282 1.00 33.23 ? 240 HIS A CG 1 -ATOM 1824 N ND1 . HIS A 1 262 ? -23.331 -19.182 -7.055 1.00 43.80 ? 240 HIS A ND1 1 -ATOM 1825 C CD2 . HIS A 1 262 ? -24.700 -17.798 -8.040 1.00 44.51 ? 240 HIS A CD2 1 -ATOM 1826 C CE1 . HIS A 1 262 ? -23.899 -18.454 -6.108 1.00 37.15 ? 240 HIS A CE1 1 -ATOM 1827 N NE2 . HIS A 1 262 ? -24.732 -17.605 -6.681 1.00 41.93 ? 240 HIS A NE2 1 -ATOM 1828 N N . LYS A 1 263 ? -24.509 -20.824 -12.446 1.00 37.35 ? 241 LYS A N 1 -ATOM 1829 C CA . LYS A 1 263 ? -24.199 -21.489 -13.709 1.00 37.26 ? 241 LYS A CA 1 -ATOM 1830 C C . LYS A 1 263 ? -22.762 -22.026 -13.720 1.00 41.86 ? 241 LYS A C 1 -ATOM 1831 O O . LYS A 1 263 ? -22.085 -22.027 -14.759 1.00 42.88 ? 241 LYS A O 1 -ATOM 1832 C CB . LYS A 1 263 ? -24.468 -20.528 -14.881 1.00 46.45 ? 241 LYS A CB 1 -ATOM 1833 C CG . LYS A 1 263 ? -25.996 -20.281 -15.122 1.00 43.43 ? 241 LYS A CG 1 -ATOM 1834 C CD . LYS A 1 263 ? -26.324 -18.833 -15.504 1.00 62.51 ? 241 LYS A CD 1 -ATOM 1835 C CE . LYS A 1 263 ? -27.847 -18.572 -15.541 1.00 66.71 ? 241 LYS A CE 1 -ATOM 1836 N NZ . LYS A 1 263 ? -28.295 -17.322 -14.790 1.00 52.25 ? 241 LYS A NZ 1 -ATOM 1837 N N . MET A 1 264 ? -22.337 -22.508 -12.550 1.00 42.37 ? 242 MET A N 1 -ATOM 1838 C CA . MET A 1 264 ? -21.006 -23.105 -12.323 1.00 42.73 ? 242 MET A CA 1 -ATOM 1839 C C . MET A 1 264 ? -21.042 -24.628 -12.078 1.00 46.12 ? 242 MET A C 1 -ATOM 1840 O O . MET A 1 264 ? -19.999 -25.241 -11.884 1.00 50.76 ? 242 MET A O 1 -ATOM 1841 C CB . MET A 1 264 ? -20.333 -22.470 -11.098 1.00 40.56 ? 242 MET A CB 1 -ATOM 1842 C CG . MET A 1 264 ? -20.109 -20.946 -11.152 1.00 51.94 ? 242 MET A CG 1 -ATOM 1843 S SD . MET A 1 264 ? -19.465 -20.276 -9.576 1.00 56.54 ? 242 MET A SD 1 -ATOM 1844 C CE . MET A 1 264 ? -17.890 -21.140 -9.439 1.00 51.18 ? 242 MET A CE 1 -ATOM 1845 N N . THR A 1 265 ? -22.226 -25.244 -12.062 1.00 50.01 ? 243 THR A N 1 -ATOM 1846 C CA . THR A 1 265 ? -22.303 -26.644 -11.633 1.00 53.54 ? 243 THR A CA 1 -ATOM 1847 C C . THR A 1 265 ? -22.532 -27.630 -12.767 1.00 47.73 ? 243 THR A C 1 -ATOM 1848 O O . THR A 1 265 ? -23.504 -27.537 -13.498 1.00 43.02 ? 243 THR A O 1 -ATOM 1849 C CB . THR A 1 265 ? -23.414 -26.851 -10.610 1.00 52.96 ? 243 THR A CB 1 -ATOM 1850 O OG1 . THR A 1 265 ? -23.242 -25.918 -9.533 1.00 47.84 ? 243 THR A OG1 1 -ATOM 1851 C CG2 . THR A 1 265 ? -23.370 -28.294 -10.068 1.00 51.92 ? 243 THR A CG2 1 -ATOM 1852 N N . LEU A 1 266 ? -21.623 -28.578 -12.925 1.00 48.34 ? 244 LEU A N 1 -ATOM 1853 C CA . LEU A 1 266 ? -21.823 -29.613 -13.926 1.00 41.03 ? 244 LEU A CA 1 -ATOM 1854 C C . LEU A 1 266 ? -22.048 -30.960 -13.223 1.00 45.29 ? 244 LEU A C 1 -ATOM 1855 O O . LEU A 1 266 ? -21.368 -31.290 -12.251 1.00 49.39 ? 244 LEU A O 1 -ATOM 1856 C CB . LEU A 1 266 ? -20.641 -29.694 -14.879 1.00 39.60 ? 244 LEU A CB 1 -ATOM 1857 C CG . LEU A 1 266 ? -20.382 -28.521 -15.811 1.00 59.06 ? 244 LEU A CG 1 -ATOM 1858 C CD1 . LEU A 1 266 ? -18.995 -28.733 -16.384 1.00 48.14 ? 244 LEU A CD1 1 -ATOM 1859 C CD2 . LEU A 1 266 ? -21.457 -28.413 -16.925 1.00 47.24 ? 244 LEU A CD2 1 -ATOM 1860 N N . ILE A 1 267 ? -23.016 -31.723 -13.710 1.00 44.23 ? 245 ILE A N 1 -ATOM 1861 C CA . ILE A 1 267 ? -23.410 -32.989 -13.092 1.00 42.18 ? 245 ILE A CA 1 -ATOM 1862 C C . ILE A 1 267 ? -23.633 -33.979 -14.233 1.00 38.41 ? 245 ILE A C 1 -ATOM 1863 O O . ILE A 1 267 ? -24.443 -33.735 -15.104 1.00 40.62 ? 245 ILE A O 1 -ATOM 1864 C CB . ILE A 1 267 ? -24.689 -32.839 -12.209 1.00 44.92 ? 245 ILE A CB 1 -ATOM 1865 C CG1 . ILE A 1 267 ? -24.435 -31.867 -11.072 1.00 37.84 ? 245 ILE A CG1 1 -ATOM 1866 C CG2 . ILE A 1 267 ? -25.107 -34.178 -11.571 1.00 46.61 ? 245 ILE A CG2 1 -ATOM 1867 C CD1 . ILE A 1 267 ? -25.702 -31.361 -10.377 1.00 41.99 ? 245 ILE A CD1 1 -ATOM 1868 N N . SER A 1 268 ? -22.852 -35.056 -14.277 1.00 35.62 ? 246 SER A N 1 -ATOM 1869 C CA . SER A 1 268 ? -22.900 -35.972 -15.422 1.00 42.51 ? 246 SER A CA 1 -ATOM 1870 C C . SER A 1 268 ? -24.228 -36.733 -15.522 1.00 36.37 ? 246 SER A C 1 -ATOM 1871 O O . SER A 1 268 ? -24.923 -36.923 -14.532 1.00 36.28 ? 246 SER A O 1 -ATOM 1872 C CB . SER A 1 268 ? -21.726 -36.965 -15.350 1.00 36.55 ? 246 SER A CB 1 -ATOM 1873 O OG . SER A 1 268 ? -22.009 -37.954 -14.386 1.00 49.41 ? 246 SER A OG 1 -ATOM 1874 N N . PRO A 1 269 ? -24.586 -37.168 -16.727 1.00 37.81 ? 247 PRO A N 1 -ATOM 1875 C CA . PRO A 1 269 ? -25.823 -37.939 -16.860 1.00 43.58 ? 247 PRO A CA 1 -ATOM 1876 C C . PRO A 1 269 ? -25.789 -39.259 -16.067 1.00 49.65 ? 247 PRO A C 1 -ATOM 1877 O O . PRO A 1 269 ? -26.861 -39.715 -15.662 1.00 48.12 ? 247 PRO A O 1 -ATOM 1878 C CB . PRO A 1 269 ? -25.916 -38.208 -18.366 1.00 48.07 ? 247 PRO A CB 1 -ATOM 1879 C CG . PRO A 1 269 ? -24.499 -38.064 -18.871 1.00 42.04 ? 247 PRO A CG 1 -ATOM 1880 C CD . PRO A 1 269 ? -23.927 -36.956 -18.026 1.00 42.75 ? 247 PRO A CD 1 -ATOM 1881 N N . LEU A 1 270 ? -24.613 -39.851 -15.833 1.00 46.73 ? 248 LEU A N 1 -ATOM 1882 C CA . LEU A 1 270 ? -24.559 -41.085 -15.028 1.00 55.50 ? 248 LEU A CA 1 -ATOM 1883 C C . LEU A 1 270 ? -24.956 -40.798 -13.584 1.00 54.04 ? 248 LEU A C 1 -ATOM 1884 O O . LEU A 1 270 ? -25.654 -41.609 -12.941 1.00 45.76 ? 248 LEU A O 1 -ATOM 1885 C CB . LEU A 1 270 ? -23.177 -41.752 -15.053 1.00 48.49 ? 248 LEU A CB 1 -ATOM 1886 C CG . LEU A 1 270 ? -22.602 -42.266 -16.377 1.00 49.67 ? 248 LEU A CG 1 -ATOM 1887 C CD1 . LEU A 1 270 ? -21.344 -43.071 -16.080 1.00 63.98 ? 248 LEU A CD1 1 -ATOM 1888 C CD2 . LEU A 1 270 ? -23.578 -43.083 -17.184 1.00 62.39 ? 248 LEU A CD2 1 -ATOM 1889 N N . MET A 1 271 ? -24.486 -39.657 -13.068 1.00 45.47 ? 249 MET A N 1 -ATOM 1890 C CA . MET A 1 271 ? -24.809 -39.246 -11.696 1.00 42.01 ? 249 MET A CA 1 -ATOM 1891 C C . MET A 1 271 ? -26.314 -39.034 -11.525 1.00 39.10 ? 249 MET A C 1 -ATOM 1892 O O . MET A 1 271 ? -26.893 -39.360 -10.493 1.00 50.79 ? 249 MET A O 1 -ATOM 1893 C CB . MET A 1 271 ? -24.085 -37.952 -11.335 1.00 44.84 ? 249 MET A CB 1 -ATOM 1894 C CG . MET A 1 271 ? -23.744 -37.842 -9.882 1.00 49.62 ? 249 MET A CG 1 -ATOM 1895 S SD . MET A 1 271 ? -22.690 -39.221 -9.361 1.00 65.97 ? 249 MET A SD 1 -ATOM 1896 C CE . MET A 1 271 ? -22.184 -38.639 -7.741 1.00 48.98 ? 249 MET A CE 1 -ATOM 1897 N N . LEU A 1 272 ? -26.933 -38.450 -12.538 1.00 35.12 ? 250 LEU A N 1 -ATOM 1898 C CA . LEU A 1 272 ? -28.369 -38.200 -12.516 1.00 48.62 ? 250 LEU A CA 1 -ATOM 1899 C C . LEU A 1 272 ? -29.084 -39.550 -12.516 1.00 51.47 ? 250 LEU A C 1 -ATOM 1900 O O . LEU A 1 272 ? -30.048 -39.758 -11.798 1.00 45.94 ? 250 LEU A O 1 -ATOM 1901 C CB . LEU A 1 272 ? -28.795 -37.371 -13.733 1.00 41.48 ? 250 LEU A CB 1 -ATOM 1902 C CG . LEU A 1 272 ? -28.315 -35.912 -13.897 1.00 45.84 ? 250 LEU A CG 1 -ATOM 1903 C CD1 . LEU A 1 272 ? -29.174 -35.156 -14.914 1.00 36.73 ? 250 LEU A CD1 1 -ATOM 1904 C CD2 . LEU A 1 272 ? -28.359 -35.201 -12.588 1.00 40.49 ? 250 LEU A CD2 1 -ATOM 1905 N N . LYS A 1 273 ? -28.600 -40.447 -13.369 1.00 45.76 ? 251 LYS A N 1 -ATOM 1906 C CA . LYS A 1 273 ? -29.141 -41.795 -13.511 1.00 55.01 ? 251 LYS A CA 1 -ATOM 1907 C C . LYS A 1 273 ? -29.039 -42.535 -12.178 1.00 53.04 ? 251 LYS A C 1 -ATOM 1908 O O . LYS A 1 273 ? -30.005 -43.142 -11.720 1.00 45.90 ? 251 LYS A O 1 -ATOM 1909 C CB . LYS A 1 273 ? -28.379 -42.559 -14.598 1.00 52.38 ? 251 LYS A CB 1 -ATOM 1910 C CG . LYS A 1 273 ? -29.159 -42.872 -15.842 1.00 47.85 ? 251 LYS A CG 1 -ATOM 1911 C CD . LYS A 1 273 ? -28.593 -44.125 -16.506 1.00 56.89 ? 251 LYS A CD 1 -ATOM 1912 C CE . LYS A 1 273 ? -29.697 -44.913 -17.238 1.00 57.96 ? 251 LYS A CE 1 -ATOM 1913 N NZ . LYS A 1 273 ? -29.184 -46.157 -17.928 1.00 69.56 ? 251 LYS A NZ 1 -ATOM 1914 N N . LYS A 1 274 ? -27.873 -42.417 -11.542 1.00 50.60 ? 252 LYS A N 1 -ATOM 1915 C CA . LYS A 1 274 ? -27.585 -43.115 -10.294 1.00 47.80 ? 252 LYS A CA 1 -ATOM 1916 C C . LYS A 1 274 ? -28.524 -42.660 -9.182 1.00 52.53 ? 252 LYS A C 1 -ATOM 1917 O O . LYS A 1 274 ? -28.845 -43.436 -8.286 1.00 52.35 ? 252 LYS A O 1 -ATOM 1918 C CB . LYS A 1 274 ? -26.116 -42.907 -9.887 1.00 52.43 ? 252 LYS A CB 1 -ATOM 1919 C CG . LYS A 1 274 ? -25.645 -43.802 -8.731 1.00 54.40 ? 252 LYS A CG 1 -ATOM 1920 C CD . LYS A 1 274 ? -24.210 -43.493 -8.286 1.00 46.80 ? 252 LYS A CD 1 -ATOM 1921 N N . TYR A 1 275 ? -28.931 -41.394 -9.205 1.00 43.50 ? 253 TYR A N 1 -ATOM 1922 C CA . TYR A 1 275 ? -29.840 -40.890 -8.173 1.00 40.07 ? 253 TYR A CA 1 -ATOM 1923 C C . TYR A 1 275 ? -31.265 -40.721 -8.646 1.00 48.90 ? 253 TYR A C 1 -ATOM 1924 O O . TYR A 1 275 ? -32.060 -40.026 -8.003 1.00 48.39 ? 253 TYR A O 1 -ATOM 1925 C CB . TYR A 1 275 ? -29.320 -39.585 -7.589 1.00 45.39 ? 253 TYR A CB 1 -ATOM 1926 C CG . TYR A 1 275 ? -28.099 -39.885 -6.795 1.00 50.32 ? 253 TYR A CG 1 -ATOM 1927 C CD1 . TYR A 1 275 ? -28.207 -40.335 -5.494 1.00 45.05 ? 253 TYR A CD1 1 -ATOM 1928 C CD2 . TYR A 1 275 ? -26.842 -39.771 -7.351 1.00 49.73 ? 253 TYR A CD2 1 -ATOM 1929 C CE1 . TYR A 1 275 ? -27.095 -40.647 -4.760 1.00 51.66 ? 253 TYR A CE1 1 -ATOM 1930 C CE2 . TYR A 1 275 ? -25.716 -40.074 -6.610 1.00 49.68 ? 253 TYR A CE2 1 -ATOM 1931 C CZ . TYR A 1 275 ? -25.856 -40.520 -5.319 1.00 46.42 ? 253 TYR A CZ 1 -ATOM 1932 O OH . TYR A 1 275 ? -24.752 -40.839 -4.562 1.00 63.74 ? 253 TYR A OH 1 -ATOM 1933 N N . GLY A 1 276 ? -31.567 -41.322 -9.794 1.00 49.35 ? 254 GLY A N 1 -ATOM 1934 C CA . GLY A 1 276 ? -32.928 -41.421 -10.282 1.00 54.14 ? 254 GLY A CA 1 -ATOM 1935 C C . GLY A 1 276 ? -33.656 -40.134 -10.631 1.00 58.32 ? 254 GLY A C 1 -ATOM 1936 O O . GLY A 1 276 ? -34.846 -40.002 -10.341 1.00 52.96 ? 254 GLY A O 1 -ATOM 1937 N N A ILE A 1 277 ? -32.934 -39.194 -11.248 0.62 51.06 ? 255 ILE A N 1 -ATOM 1938 N N B ILE A 1 277 ? -32.978 -39.180 -11.245 0.38 51.05 ? 255 ILE A N 1 -ATOM 1939 C CA A ILE A 1 277 ? -33.526 -37.983 -11.836 0.62 47.78 ? 255 ILE A CA 1 -ATOM 1940 C CA B ILE A 1 277 ? -33.709 -38.013 -11.703 0.38 47.88 ? 255 ILE A CA 1 -ATOM 1941 C C A ILE A 1 277 ? -33.826 -38.149 -13.319 0.62 47.36 ? 255 ILE A C 1 -ATOM 1942 C C B ILE A 1 277 ? -33.855 -38.114 -13.221 0.38 47.36 ? 255 ILE A C 1 -ATOM 1943 O O A ILE A 1 277 ? -32.921 -38.395 -14.120 0.62 47.99 ? 255 ILE A O 1 -ATOM 1944 O O B ILE A 1 277 ? -32.885 -38.352 -13.944 0.38 48.00 ? 255 ILE A O 1 -ATOM 1945 C CB A ILE A 1 277 ? -32.596 -36.743 -11.707 0.62 50.38 ? 255 ILE A CB 1 -ATOM 1946 C CB B ILE A 1 277 ? -33.027 -36.690 -11.247 0.38 51.22 ? 255 ILE A CB 1 -ATOM 1947 C CG1 A ILE A 1 277 ? -32.041 -36.590 -10.290 0.62 45.60 ? 255 ILE A CG1 1 -ATOM 1948 C CG1 B ILE A 1 277 ? -31.800 -36.352 -12.084 0.38 46.43 ? 255 ILE A CG1 1 -ATOM 1949 C CG2 A ILE A 1 277 ? -33.354 -35.472 -12.130 0.62 49.16 ? 255 ILE A CG2 1 -ATOM 1950 C CG2 B ILE A 1 277 ? -32.635 -36.768 -9.783 0.38 50.51 ? 255 ILE A CG2 1 -ATOM 1951 C CD1 A ILE A 1 277 ? -33.116 -36.367 -9.237 0.62 53.09 ? 255 ILE A CD1 1 -ATOM 1952 C CD1 B ILE A 1 277 ? -32.090 -35.343 -13.148 0.38 46.69 ? 255 ILE A CD1 1 -ATOM 1953 N N . PRO A 1 278 ? -35.091 -37.977 -13.713 1.00 47.46 ? 256 PRO A N 1 -ATOM 1954 C CA . PRO A 1 278 ? -35.368 -38.128 -15.149 1.00 45.51 ? 256 PRO A CA 1 -ATOM 1955 C C . PRO A 1 278 ? -34.697 -37.027 -15.961 1.00 47.57 ? 256 PRO A C 1 -ATOM 1956 O O . PRO A 1 278 ? -34.681 -35.884 -15.501 1.00 54.91 ? 256 PRO A O 1 -ATOM 1957 C CB . PRO A 1 278 ? -36.894 -38.010 -15.236 1.00 45.95 ? 256 PRO A CB 1 -ATOM 1958 C CG . PRO A 1 278 ? -37.390 -38.144 -13.808 1.00 49.05 ? 256 PRO A CG 1 -ATOM 1959 C CD . PRO A 1 278 ? -36.286 -37.618 -12.942 1.00 50.49 ? 256 PRO A CD 1 -ATOM 1960 N N . PHE A 1 279 ? -34.146 -37.362 -17.123 1.00 32.50 ? 257 PHE A N 1 -ATOM 1961 C CA . PHE A 1 279 ? -33.550 -36.387 -18.019 1.00 47.65 ? 257 PHE A CA 1 -ATOM 1962 C C . PHE A 1 279 ? -33.628 -36.952 -19.412 1.00 50.71 ? 257 PHE A C 1 -ATOM 1963 O O . PHE A 1 279 ? -33.878 -38.135 -19.589 1.00 50.38 ? 257 PHE A O 1 -ATOM 1964 C CB . PHE A 1 279 ? -32.074 -36.067 -17.655 1.00 42.30 ? 257 PHE A CB 1 -ATOM 1965 C CG . PHE A 1 279 ? -31.102 -37.207 -17.927 1.00 40.05 ? 257 PHE A CG 1 -ATOM 1966 C CD1 . PHE A 1 279 ? -30.496 -37.345 -19.166 1.00 42.01 ? 257 PHE A CD1 1 -ATOM 1967 C CD2 . PHE A 1 279 ? -30.798 -38.127 -16.947 1.00 49.42 ? 257 PHE A CD2 1 -ATOM 1968 C CE1 . PHE A 1 279 ? -29.615 -38.375 -19.422 1.00 48.64 ? 257 PHE A CE1 1 -ATOM 1969 C CE2 . PHE A 1 279 ? -29.902 -39.184 -17.200 1.00 41.62 ? 257 PHE A CE2 1 -ATOM 1970 C CZ . PHE A 1 279 ? -29.328 -39.307 -18.434 1.00 40.77 ? 257 PHE A CZ 1 -ATOM 1971 N N . ASP A 1 280 ? -33.381 -36.100 -20.394 1.00 48.93 ? 258 ASP A N 1 -ATOM 1972 C CA . ASP A 1 280 ? -33.334 -36.494 -21.780 1.00 39.81 ? 258 ASP A CA 1 -ATOM 1973 C C . ASP A 1 280 ? -32.163 -35.767 -22.426 1.00 49.42 ? 258 ASP A C 1 -ATOM 1974 O O . ASP A 1 280 ? -31.669 -34.784 -21.880 1.00 47.33 ? 258 ASP A O 1 -ATOM 1975 C CB . ASP A 1 280 ? -34.645 -36.168 -22.472 1.00 41.65 ? 258 ASP A CB 1 -ATOM 1976 C CG . ASP A 1 280 ? -34.903 -37.054 -23.684 1.00 60.96 ? 258 ASP A CG 1 -ATOM 1977 O OD1 . ASP A 1 280 ? -33.974 -37.780 -24.128 1.00 63.90 ? 258 ASP A OD1 1 -ATOM 1978 O OD2 . ASP A 1 280 ? -36.042 -37.020 -24.194 1.00 65.49 ? 258 ASP A OD2 1 -ATOM 1979 N N . LYS A 1 281 ? -31.705 -36.235 -23.581 1.00 50.15 ? 259 LYS A N 1 -ATOM 1980 C CA . LYS A 1 281 ? -30.625 -35.534 -24.256 1.00 47.10 ? 259 LYS A CA 1 -ATOM 1981 C C . LYS A 1 281 ? -30.939 -35.381 -25.728 1.00 49.31 ? 259 LYS A C 1 -ATOM 1982 O O . LYS A 1 281 ? -31.753 -36.117 -26.281 1.00 48.36 ? 259 LYS A O 1 -ATOM 1983 C CB . LYS A 1 281 ? -29.295 -36.267 -24.056 1.00 56.39 ? 259 LYS A CB 1 -ATOM 1984 C CG . LYS A 1 281 ? -29.293 -37.702 -24.550 1.00 59.55 ? 259 LYS A CG 1 -ATOM 1985 C CD . LYS A 1 281 ? -27.974 -38.432 -24.235 1.00 65.98 ? 259 LYS A CD 1 -ATOM 1986 C CE . LYS A 1 281 ? -28.089 -39.348 -23.019 1.00 63.17 ? 259 LYS A CE 1 -ATOM 1987 N NZ . LYS A 1 281 ? -26.914 -40.269 -22.890 1.00 63.30 ? 259 LYS A NZ 1 -ATOM 1988 N N . VAL A 1 282 ? -30.310 -34.397 -26.356 1.00 48.59 ? 260 VAL A N 1 -ATOM 1989 C CA . VAL A 1 282 ? -30.573 -34.110 -27.752 1.00 50.54 ? 260 VAL A CA 1 -ATOM 1990 C C . VAL A 1 282 ? -29.325 -33.466 -28.301 1.00 49.88 ? 260 VAL A C 1 -ATOM 1991 O O . VAL A 1 282 ? -28.580 -32.812 -27.559 1.00 52.10 ? 260 VAL A O 1 -ATOM 1992 C CB . VAL A 1 282 ? -31.775 -33.141 -27.956 1.00 47.83 ? 260 VAL A CB 1 -ATOM 1993 C CG1 . VAL A 1 282 ? -31.308 -31.691 -27.868 1.00 37.74 ? 260 VAL A CG1 1 -ATOM 1994 C CG2 . VAL A 1 282 ? -32.386 -33.334 -29.310 1.00 44.16 ? 260 VAL A CG2 1 -ATOM 1995 N N . THR A 1 283 ? -29.080 -33.664 -29.589 1.00 52.65 ? 261 THR A N 1 -ATOM 1996 C CA . THR A 1 283 ? -27.997 -32.967 -30.264 1.00 59.31 ? 261 THR A CA 1 -ATOM 1997 C C . THR A 1 283 ? -28.601 -31.992 -31.262 1.00 53.51 ? 261 THR A C 1 -ATOM 1998 O O . THR A 1 283 ? -29.517 -32.340 -32.013 1.00 56.86 ? 261 THR A O 1 -ATOM 1999 C CB . THR A 1 283 ? -27.030 -33.944 -30.959 1.00 58.47 ? 261 THR A CB 1 -ATOM 2000 O OG1 . THR A 1 283 ? -26.429 -34.786 -29.966 1.00 62.68 ? 261 THR A OG1 1 -ATOM 2001 C CG2 . THR A 1 283 ? -25.938 -33.188 -31.701 1.00 50.22 ? 261 THR A CG2 1 -ATOM 2002 N N . GLN A 1 284 ? -28.124 -30.754 -31.212 1.00 49.30 ? 262 GLN A N 1 -ATOM 2003 C CA . GLN A 1 284 ? -28.596 -29.672 -32.074 1.00 55.00 ? 262 GLN A CA 1 -ATOM 2004 C C . GLN A 1 284 ? -27.566 -29.442 -33.172 1.00 54.95 ? 262 GLN A C 1 -ATOM 2005 O O . GLN A 1 284 ? -26.422 -29.111 -32.873 1.00 62.78 ? 262 GLN A O 1 -ATOM 2006 C CB . GLN A 1 284 ? -28.813 -28.396 -31.238 1.00 45.18 ? 262 GLN A CB 1 -ATOM 2007 C CG . GLN A 1 284 ? -29.108 -27.144 -32.025 1.00 47.16 ? 262 GLN A CG 1 -ATOM 2008 C CD . GLN A 1 284 ? -28.831 -25.864 -31.221 1.00 58.71 ? 262 GLN A CD 1 -ATOM 2009 O OE1 . GLN A 1 284 ? -28.014 -25.867 -30.297 1.00 60.15 ? 262 GLN A OE1 1 -ATOM 2010 N NE2 . GLN A 1 284 ? -29.536 -24.778 -31.551 1.00 48.80 ? 262 GLN A NE2 1 -ATOM 2011 N N . GLU A 1 285 ? -27.943 -29.593 -34.438 1.00 57.49 ? 263 GLU A N 1 -ATOM 2012 C CA . GLU A 1 285 ? -26.968 -29.345 -35.499 1.00 57.83 ? 263 GLU A CA 1 -ATOM 2013 C C . GLU A 1 285 ? -27.216 -27.997 -36.144 1.00 66.40 ? 263 GLU A C 1 -ATOM 2014 O O . GLU A 1 285 ? -28.294 -27.420 -35.976 1.00 72.95 ? 263 GLU A O 1 -ATOM 2015 C CB . GLU A 1 285 ? -27.000 -30.456 -36.553 1.00 53.36 ? 263 GLU A CB 1 -ATOM 2016 N N . ALA A 1 286 ? -26.224 -27.508 -36.892 1.00 48.27 ? 264 ALA A N 1 -ATOM 2017 C CA . ALA A 1 286 ? -26.286 -26.159 -37.446 1.00 64.18 ? 264 ALA A CA 1 -ATOM 2018 C C . ALA A 1 286 ? -27.566 -25.959 -38.257 1.00 60.02 ? 264 ALA A C 1 -ATOM 2019 O O . ALA A 1 286 ? -27.932 -26.811 -39.060 1.00 63.19 ? 264 ALA A O 1 -ATOM 2020 C CB . ALA A 1 286 ? -25.056 -25.880 -38.295 1.00 48.52 ? 264 ALA A CB 1 -ATOM 2021 N N . GLY A 1 287 ? -28.263 -24.850 -38.022 1.00 65.95 ? 265 GLY A N 1 -ATOM 2022 C CA . GLY A 1 287 ? -29.470 -24.552 -38.775 1.00 52.96 ? 265 GLY A CA 1 -ATOM 2023 C C . GLY A 1 287 ? -30.744 -24.966 -38.061 1.00 64.52 ? 265 GLY A C 1 -ATOM 2024 O O . GLY A 1 287 ? -31.847 -24.878 -38.610 1.00 65.08 ? 265 GLY A O 1 -ATOM 2025 N N . GLU A 1 288 ? -30.597 -25.412 -36.820 1.00 68.67 ? 266 GLU A N 1 -ATOM 2026 C CA . GLU A 1 288 ? -31.741 -25.820 -36.018 1.00 61.56 ? 266 GLU A CA 1 -ATOM 2027 C C . GLU A 1 288 ? -31.864 -24.942 -34.761 1.00 59.62 ? 266 GLU A C 1 -ATOM 2028 O O . GLU A 1 288 ? -30.864 -24.406 -34.266 1.00 55.92 ? 266 GLU A O 1 -ATOM 2029 C CB . GLU A 1 288 ? -31.619 -27.297 -35.634 1.00 52.23 ? 266 GLU A CB 1 -ATOM 2030 N N . PHE A 1 289 ? -33.096 -24.808 -34.270 1.00 57.51 ? 267 PHE A N 1 -ATOM 2031 C CA . PHE A 1 289 ? -33.436 -24.058 -33.058 1.00 56.70 ? 267 PHE A CA 1 -ATOM 2032 C C . PHE A 1 289 ? -33.601 -24.966 -31.852 1.00 47.53 ? 267 PHE A C 1 -ATOM 2033 O O . PHE A 1 289 ? -34.154 -26.057 -31.981 1.00 60.06 ? 267 PHE A O 1 -ATOM 2034 C CB . PHE A 1 289 ? -34.755 -23.278 -33.238 1.00 48.85 ? 267 PHE A CB 1 -ATOM 2035 C CG . PHE A 1 289 ? -34.640 -22.056 -34.094 1.00 51.22 ? 267 PHE A CG 1 -ATOM 2036 C CD1 . PHE A 1 289 ? -34.220 -20.855 -33.549 1.00 54.17 ? 267 PHE A CD1 1 -ATOM 2037 C CD2 . PHE A 1 289 ? -34.981 -22.093 -35.438 1.00 60.77 ? 267 PHE A CD2 1 -ATOM 2038 C CE1 . PHE A 1 289 ? -34.122 -19.702 -34.342 1.00 57.23 ? 267 PHE A CE1 1 -ATOM 2039 C CE2 . PHE A 1 289 ? -34.892 -20.942 -36.232 1.00 61.00 ? 267 PHE A CE2 1 -ATOM 2040 C CZ . PHE A 1 289 ? -34.460 -19.745 -35.675 1.00 51.57 ? 267 PHE A CZ 1 -ATOM 2041 N N . MET A 1 290 ? -33.140 -24.518 -30.683 1.00 45.89 ? 268 MET A N 1 -ATOM 2042 C CA . MET A 1 290 ? -33.616 -25.086 -29.422 1.00 49.75 ? 268 MET A CA 1 -ATOM 2043 C C . MET A 1 290 ? -34.442 -24.038 -28.684 1.00 53.78 ? 268 MET A C 1 -ATOM 2044 O O . MET A 1 290 ? -34.088 -22.860 -28.655 1.00 50.00 ? 268 MET A O 1 -ATOM 2045 C CB . MET A 1 290 ? -32.468 -25.567 -28.519 1.00 40.46 ? 268 MET A CB 1 -ATOM 2046 C CG . MET A 1 290 ? -31.497 -26.528 -29.193 1.00 54.65 ? 268 MET A CG 1 -ATOM 2047 S SD . MET A 1 290 ? -32.221 -28.111 -29.660 1.00 60.90 ? 268 MET A SD 1 -ATOM 2048 C CE . MET A 1 290 ? -33.210 -28.423 -28.223 1.00 52.12 ? 268 MET A CE 1 -ATOM 2049 N N . ILE A 1 291 ? -35.528 -24.499 -28.083 1.00 44.56 ? 269 ILE A N 1 -ATOM 2050 C CA . ILE A 1 291 ? -36.419 -23.695 -27.267 1.00 54.90 ? 269 ILE A CA 1 -ATOM 2051 C C . ILE A 1 291 ? -36.423 -24.271 -25.869 1.00 55.31 ? 269 ILE A C 1 -ATOM 2052 O O . ILE A 1 291 ? -36.798 -25.435 -25.689 1.00 49.99 ? 269 ILE A O 1 -ATOM 2053 C CB . ILE A 1 291 ? -37.875 -23.724 -27.823 1.00 45.50 ? 269 ILE A CB 1 -ATOM 2054 C CG1 . ILE A 1 291 ? -37.927 -23.245 -29.278 1.00 53.21 ? 269 ILE A CG1 1 -ATOM 2055 C CG2 . ILE A 1 291 ? -38.830 -22.999 -26.935 1.00 41.20 ? 269 ILE A CG2 1 -ATOM 2056 C CD1 . ILE A 1 291 ? -37.588 -21.813 -29.492 1.00 46.57 ? 269 ILE A CD1 1 -ATOM 2057 N N . THR A 1 292 ? -36.038 -23.485 -24.866 1.00 49.05 ? 270 THR A N 1 -ATOM 2058 C CA . THR A 1 292 ? -36.160 -23.993 -23.505 1.00 41.45 ? 270 THR A CA 1 -ATOM 2059 C C . THR A 1 292 ? -37.342 -23.304 -22.835 1.00 49.99 ? 270 THR A C 1 -ATOM 2060 O O . THR A 1 292 ? -37.724 -22.184 -23.215 1.00 41.52 ? 270 THR A O 1 -ATOM 2061 C CB . THR A 1 292 ? -34.868 -23.825 -22.662 1.00 54.34 ? 270 THR A CB 1 -ATOM 2062 O OG1 . THR A 1 292 ? -34.817 -22.511 -22.100 1.00 60.70 ? 270 THR A OG1 1 -ATOM 2063 C CG2 . THR A 1 292 ? -33.575 -24.113 -23.504 1.00 43.23 ? 270 THR A CG2 1 -ATOM 2064 N N . PHE A 1 293 ? -37.962 -24.030 -21.901 1.00 43.70 ? 271 PHE A N 1 -ATOM 2065 C CA . PHE A 1 293 ? -39.206 -23.638 -21.250 1.00 44.13 ? 271 PHE A CA 1 -ATOM 2066 C C . PHE A 1 293 ? -38.969 -23.270 -19.788 1.00 43.52 ? 271 PHE A C 1 -ATOM 2067 O O . PHE A 1 293 ? -37.966 -23.694 -19.210 1.00 43.53 ? 271 PHE A O 1 -ATOM 2068 C CB . PHE A 1 293 ? -40.221 -24.782 -21.372 1.00 45.59 ? 271 PHE A CB 1 -ATOM 2069 C CG . PHE A 1 293 ? -40.560 -25.123 -22.794 1.00 47.01 ? 271 PHE A CG 1 -ATOM 2070 C CD1 . PHE A 1 293 ? -41.558 -24.441 -23.473 1.00 42.99 ? 271 PHE A CD1 1 -ATOM 2071 C CD2 . PHE A 1 293 ? -39.887 -26.141 -23.452 1.00 49.27 ? 271 PHE A CD2 1 -ATOM 2072 C CE1 . PHE A 1 293 ? -41.876 -24.752 -24.784 1.00 43.52 ? 271 PHE A CE1 1 -ATOM 2073 C CE2 . PHE A 1 293 ? -40.198 -26.454 -24.776 1.00 48.41 ? 271 PHE A CE2 1 -ATOM 2074 C CZ . PHE A 1 293 ? -41.194 -25.752 -25.441 1.00 43.44 ? 271 PHE A CZ 1 -ATOM 2075 N N . PRO A 1 294 ? -39.909 -22.523 -19.169 1.00 34.14 ? 272 PRO A N 1 -ATOM 2076 C CA . PRO A 1 294 ? -39.776 -22.064 -17.788 1.00 41.96 ? 272 PRO A CA 1 -ATOM 2077 C C . PRO A 1 294 ? -39.474 -23.153 -16.794 1.00 46.25 ? 272 PRO A C 1 -ATOM 2078 O O . PRO A 1 294 ? -40.200 -24.151 -16.740 1.00 40.21 ? 272 PRO A O 1 -ATOM 2079 C CB . PRO A 1 294 ? -41.156 -21.472 -17.487 1.00 36.43 ? 272 PRO A CB 1 -ATOM 2080 C CG . PRO A 1 294 ? -41.631 -20.995 -18.755 1.00 35.91 ? 272 PRO A CG 1 -ATOM 2081 C CD . PRO A 1 294 ? -41.115 -21.951 -19.794 1.00 43.32 ? 272 PRO A CD 1 -ATOM 2082 N N . TYR A 1 295 ? -38.451 -22.915 -15.976 1.00 37.39 ? 273 TYR A N 1 -ATOM 2083 C CA . TYR A 1 295 ? -38.011 -23.884 -14.972 1.00 43.05 ? 273 TYR A CA 1 -ATOM 2084 C C . TYR A 1 295 ? -37.477 -25.205 -15.586 1.00 39.24 ? 273 TYR A C 1 -ATOM 2085 O O . TYR A 1 295 ? -37.302 -26.193 -14.883 1.00 39.71 ? 273 TYR A O 1 -ATOM 2086 C CB . TYR A 1 295 ? -39.146 -24.178 -13.980 1.00 40.04 ? 273 TYR A CB 1 -ATOM 2087 C CG . TYR A 1 295 ? -38.656 -24.720 -12.640 1.00 40.65 ? 273 TYR A CG 1 -ATOM 2088 C CD1 . TYR A 1 295 ? -37.716 -24.018 -11.888 1.00 36.09 ? 273 TYR A CD1 1 -ATOM 2089 C CD2 . TYR A 1 295 ? -39.147 -25.928 -12.126 1.00 41.62 ? 273 TYR A CD2 1 -ATOM 2090 C CE1 . TYR A 1 295 ? -37.256 -24.515 -10.653 1.00 34.59 ? 273 TYR A CE1 1 -ATOM 2091 C CE2 . TYR A 1 295 ? -38.700 -26.432 -10.899 1.00 39.47 ? 273 TYR A CE2 1 -ATOM 2092 C CZ . TYR A 1 295 ? -37.750 -25.712 -10.167 1.00 52.54 ? 273 TYR A CZ 1 -ATOM 2093 O OH . TYR A 1 295 ? -37.291 -26.174 -8.943 1.00 62.47 ? 273 TYR A OH 1 -ATOM 2094 N N . GLY A 1 296 ? -37.171 -25.202 -16.877 1.00 34.20 ? 274 GLY A N 1 -ATOM 2095 C CA . GLY A 1 296 ? -36.498 -26.341 -17.473 1.00 38.97 ? 274 GLY A CA 1 -ATOM 2096 C C . GLY A 1 296 ? -34.980 -26.316 -17.335 1.00 38.25 ? 274 GLY A C 1 -ATOM 2097 O O . GLY A 1 296 ? -34.273 -25.688 -18.133 1.00 38.72 ? 274 GLY A O 1 -ATOM 2098 N N . TYR A 1 297 ? -34.470 -27.010 -16.329 1.00 40.37 ? 275 TYR A N 1 -ATOM 2099 C CA . TYR A 1 297 ? -33.017 -27.151 -16.145 1.00 46.59 ? 275 TYR A CA 1 -ATOM 2100 C C . TYR A 1 297 ? -32.348 -27.795 -17.361 1.00 50.55 ? 275 TYR A C 1 -ATOM 2101 O O . TYR A 1 297 ? -32.857 -28.794 -17.889 1.00 43.09 ? 275 TYR A O 1 -ATOM 2102 C CB . TYR A 1 297 ? -32.722 -27.982 -14.892 1.00 38.39 ? 275 TYR A CB 1 -ATOM 2103 C CG . TYR A 1 297 ? -32.781 -27.178 -13.616 1.00 44.52 ? 275 TYR A CG 1 -ATOM 2104 C CD1 . TYR A 1 297 ? -31.739 -26.321 -13.278 1.00 43.31 ? 275 TYR A CD1 1 -ATOM 2105 C CD2 . TYR A 1 297 ? -33.891 -27.224 -12.781 1.00 37.29 ? 275 TYR A CD2 1 -ATOM 2106 C CE1 . TYR A 1 297 ? -31.780 -25.546 -12.122 1.00 41.63 ? 275 TYR A CE1 1 -ATOM 2107 C CE2 . TYR A 1 297 ? -33.947 -26.448 -11.619 1.00 47.07 ? 275 TYR A CE2 1 -ATOM 2108 C CZ . TYR A 1 297 ? -32.872 -25.602 -11.303 1.00 48.41 ? 275 TYR A CZ 1 -ATOM 2109 O OH . TYR A 1 297 ? -32.858 -24.818 -10.165 1.00 42.65 ? 275 TYR A OH 1 -ATOM 2110 N N . HIS A 1 298 ? -31.240 -27.198 -17.827 1.00 40.70 ? 276 HIS A N 1 -ATOM 2111 C CA . HIS A 1 298 ? -30.494 -27.741 -18.955 1.00 40.22 ? 276 HIS A CA 1 -ATOM 2112 C C . HIS A 1 298 ? -28.985 -27.478 -18.871 1.00 46.42 ? 276 HIS A C 1 -ATOM 2113 O O . HIS A 1 298 ? -28.518 -26.644 -18.089 1.00 40.89 ? 276 HIS A O 1 -ATOM 2114 C CB . HIS A 1 298 ? -31.060 -27.218 -20.284 1.00 35.24 ? 276 HIS A CB 1 -ATOM 2115 C CG . HIS A 1 298 ? -31.128 -25.733 -20.379 1.00 44.65 ? 276 HIS A CG 1 -ATOM 2116 N ND1 . HIS A 1 298 ? -32.000 -24.985 -19.624 1.00 52.78 ? 276 HIS A ND1 1 -ATOM 2117 C CD2 . HIS A 1 298 ? -30.465 -24.853 -21.166 1.00 48.43 ? 276 HIS A CD2 1 -ATOM 2118 C CE1 . HIS A 1 298 ? -31.856 -23.704 -19.924 1.00 46.87 ? 276 HIS A CE1 1 -ATOM 2119 N NE2 . HIS A 1 298 ? -30.940 -23.599 -20.865 1.00 38.32 ? 276 HIS A NE2 1 -ATOM 2120 N N . ALA A 1 299 ? -28.232 -28.244 -19.660 1.00 49.14 ? 277 ALA A N 1 -ATOM 2121 C CA . ALA A 1 299 ? -26.767 -28.173 -19.718 1.00 44.04 ? 277 ALA A CA 1 -ATOM 2122 C C . ALA A 1 299 ? -26.325 -28.821 -21.010 1.00 49.40 ? 277 ALA A C 1 -ATOM 2123 O O . ALA A 1 299 ? -27.129 -29.419 -21.714 1.00 38.89 ? 277 ALA A O 1 -ATOM 2124 C CB . ALA A 1 299 ? -26.115 -28.867 -18.547 1.00 39.33 ? 277 ALA A CB 1 -ATOM 2125 N N . GLY A 1 300 ? -25.048 -28.684 -21.338 1.00 51.12 ? 278 GLY A N 1 -ATOM 2126 C CA . GLY A 1 300 ? -24.545 -29.341 -22.525 1.00 46.00 ? 278 GLY A CA 1 -ATOM 2127 C C . GLY A 1 300 ? -23.164 -28.887 -22.891 1.00 46.91 ? 278 GLY A C 1 -ATOM 2128 O O . GLY A 1 300 ? -22.542 -28.160 -22.128 1.00 40.62 ? 278 GLY A O 1 -ATOM 2129 N N . PHE A 1 301 ? -22.683 -29.332 -24.053 1.00 58.25 ? 279 PHE A N 1 -ATOM 2130 C CA . PHE A 1 301 ? -21.367 -28.943 -24.549 1.00 41.16 ? 279 PHE A CA 1 -ATOM 2131 C C . PHE A 1 301 ? -21.365 -28.777 -26.049 1.00 48.70 ? 279 PHE A C 1 -ATOM 2132 O O . PHE A 1 301 ? -22.199 -29.349 -26.751 1.00 46.56 ? 279 PHE A O 1 -ATOM 2133 C CB . PHE A 1 301 ? -20.315 -29.972 -24.146 1.00 43.65 ? 279 PHE A CB 1 -ATOM 2134 C CG . PHE A 1 301 ? -20.594 -31.374 -24.661 1.00 52.74 ? 279 PHE A CG 1 -ATOM 2135 C CD1 . PHE A 1 301 ? -21.428 -32.224 -23.970 1.00 52.45 ? 279 PHE A CD1 1 -ATOM 2136 C CD2 . PHE A 1 301 ? -20.017 -31.834 -25.833 1.00 55.18 ? 279 PHE A CD2 1 -ATOM 2137 C CE1 . PHE A 1 301 ? -21.682 -33.529 -24.429 1.00 57.31 ? 279 PHE A CE1 1 -ATOM 2138 C CE2 . PHE A 1 301 ? -20.264 -33.126 -26.297 1.00 52.37 ? 279 PHE A CE2 1 -ATOM 2139 C CZ . PHE A 1 301 ? -21.104 -33.975 -25.587 1.00 52.25 ? 279 PHE A CZ 1 -ATOM 2140 N N . ASN A 1 302 ? -20.387 -28.021 -26.538 1.00 46.79 ? 280 ASN A N 1 -ATOM 2141 C CA . ASN A 1 302 ? -20.173 -27.890 -27.964 1.00 49.10 ? 280 ASN A CA 1 -ATOM 2142 C C . ASN A 1 302 ? -19.244 -28.987 -28.503 1.00 59.72 ? 280 ASN A C 1 -ATOM 2143 O O . ASN A 1 302 ? -18.276 -29.353 -27.833 1.00 49.80 ? 280 ASN A O 1 -ATOM 2144 C CB . ASN A 1 302 ? -19.588 -26.530 -28.238 1.00 42.61 ? 280 ASN A CB 1 -ATOM 2145 C CG . ASN A 1 302 ? -20.542 -25.440 -27.875 1.00 51.20 ? 280 ASN A CG 1 -ATOM 2146 O OD1 . ASN A 1 302 ? -21.683 -25.467 -28.292 1.00 43.82 ? 280 ASN A OD1 1 -ATOM 2147 N ND2 . ASN A 1 302 ? -20.093 -24.486 -27.063 1.00 54.25 ? 280 ASN A ND2 1 -ATOM 2148 N N . HIS A 1 303 ? -19.527 -29.492 -29.708 1.00 54.32 ? 281 HIS A N 1 -ATOM 2149 C CA . HIS A 1 303 ? -18.699 -30.532 -30.321 1.00 50.42 ? 281 HIS A CA 1 -ATOM 2150 C C . HIS A 1 303 ? -17.424 -29.979 -30.932 1.00 58.22 ? 281 HIS A C 1 -ATOM 2151 O O . HIS A 1 303 ? -16.423 -30.678 -31.033 1.00 58.10 ? 281 HIS A O 1 -ATOM 2152 C CB . HIS A 1 303 ? -19.455 -31.279 -31.407 1.00 46.76 ? 281 HIS A CB 1 -ATOM 2153 C CG . HIS A 1 303 ? -20.540 -32.159 -30.893 1.00 47.10 ? 281 HIS A CG 1 -ATOM 2154 N ND1 . HIS A 1 303 ? -20.972 -33.276 -31.576 1.00 56.21 ? 281 HIS A ND1 1 -ATOM 2155 C CD2 . HIS A 1 303 ? -21.304 -32.075 -29.781 1.00 50.68 ? 281 HIS A CD2 1 -ATOM 2156 C CE1 . HIS A 1 303 ? -21.944 -33.856 -30.895 1.00 54.76 ? 281 HIS A CE1 1 -ATOM 2157 N NE2 . HIS A 1 303 ? -22.168 -33.145 -29.804 1.00 64.06 ? 281 HIS A NE2 1 -ATOM 2158 N N . GLY A 1 304 ? -17.468 -28.737 -31.381 1.00 52.79 ? 282 GLY A N 1 -ATOM 2159 C CA . GLY A 1 304 ? -16.295 -28.148 -31.988 1.00 48.16 ? 282 GLY A CA 1 -ATOM 2160 C C . GLY A 1 304 ? -16.594 -26.710 -32.300 1.00 60.13 ? 282 GLY A C 1 -ATOM 2161 O O . GLY A 1 304 ? -17.544 -26.134 -31.755 1.00 61.38 ? 282 GLY A O 1 -ATOM 2162 N N . PHE A 1 305 ? -15.787 -26.118 -33.171 1.00 61.93 ? 283 PHE A N 1 -ATOM 2163 C CA . PHE A 1 305 ? -15.981 -24.721 -33.484 1.00 55.83 ? 283 PHE A CA 1 -ATOM 2164 C C . PHE A 1 305 ? -17.361 -24.508 -34.056 1.00 64.11 ? 283 PHE A C 1 -ATOM 2165 O O . PHE A 1 305 ? -17.783 -25.194 -34.996 1.00 60.00 ? 283 PHE A O 1 -ATOM 2166 C CB . PHE A 1 305 ? -14.951 -24.208 -34.469 1.00 64.71 ? 283 PHE A CB 1 -ATOM 2167 C CG . PHE A 1 305 ? -15.223 -22.804 -34.930 1.00 68.93 ? 283 PHE A CG 1 -ATOM 2168 C CD1 . PHE A 1 305 ? -14.993 -21.727 -34.085 1.00 66.40 ? 283 PHE A CD1 1 -ATOM 2169 C CD2 . PHE A 1 305 ? -15.723 -22.562 -36.198 1.00 70.41 ? 283 PHE A CD2 1 -ATOM 2170 C CE1 . PHE A 1 305 ? -15.234 -20.436 -34.502 1.00 63.53 ? 283 PHE A CE1 1 -ATOM 2171 C CE2 . PHE A 1 305 ? -15.971 -21.269 -36.623 1.00 70.21 ? 283 PHE A CE2 1 -ATOM 2172 C CZ . PHE A 1 305 ? -15.723 -20.203 -35.773 1.00 68.06 ? 283 PHE A CZ 1 -ATOM 2173 N N . ASN A 1 306 ? -18.079 -23.576 -33.451 1.00 65.60 ? 284 ASN A N 1 -ATOM 2174 C CA . ASN A 1 306 ? -19.401 -23.227 -33.931 1.00 57.03 ? 284 ASN A CA 1 -ATOM 2175 C C . ASN A 1 306 ? -19.794 -21.868 -33.429 1.00 58.85 ? 284 ASN A C 1 -ATOM 2176 O O . ASN A 1 306 ? -19.025 -21.195 -32.742 1.00 60.63 ? 284 ASN A O 1 -ATOM 2177 C CB . ASN A 1 306 ? -20.456 -24.263 -33.529 1.00 54.87 ? 284 ASN A CB 1 -ATOM 2178 C CG . ASN A 1 306 ? -20.626 -24.399 -32.030 1.00 55.00 ? 284 ASN A CG 1 -ATOM 2179 O OD1 . ASN A 1 306 ? -20.160 -23.566 -31.248 1.00 56.31 ? 284 ASN A OD1 1 -ATOM 2180 N ND2 . ASN A 1 306 ? -21.378 -25.428 -31.624 1.00 52.63 ? 284 ASN A ND2 1 -ATOM 2181 N N . CYS A 1 307 ? -21.002 -21.470 -33.782 1.00 52.25 ? 285 CYS A N 1 -ATOM 2182 C CA . CYS A 1 307 ? -21.488 -20.182 -33.363 1.00 65.25 ? 285 CYS A CA 1 -ATOM 2183 C C . CYS A 1 307 ? -22.985 -20.171 -33.218 1.00 55.09 ? 285 CYS A C 1 -ATOM 2184 O O . CYS A 1 307 ? -23.688 -20.551 -34.139 1.00 49.87 ? 285 CYS A O 1 -ATOM 2185 C CB . CYS A 1 307 ? -21.074 -19.129 -34.358 1.00 60.62 ? 285 CYS A CB 1 -ATOM 2186 S SG . CYS A 1 307 ? -21.944 -17.669 -34.031 1.00 69.21 ? 285 CYS A SG 1 -ATOM 2187 N N . ALA A 1 308 ? -23.464 -19.712 -32.063 1.00 55.30 ? 286 ALA A N 1 -ATOM 2188 C CA . ALA A 1 308 ? -24.894 -19.739 -31.773 1.00 56.84 ? 286 ALA A CA 1 -ATOM 2189 C C . ALA A 1 308 ? -25.394 -18.397 -31.262 1.00 60.21 ? 286 ALA A C 1 -ATOM 2190 O O . ALA A 1 308 ? -24.682 -17.664 -30.566 1.00 63.44 ? 286 ALA A O 1 -ATOM 2191 C CB . ALA A 1 308 ? -25.219 -20.847 -30.757 1.00 54.23 ? 286 ALA A CB 1 -ATOM 2192 N N . GLU A 1 309 ? -26.634 -18.087 -31.606 1.00 56.41 ? 287 GLU A N 1 -ATOM 2193 C CA . GLU A 1 309 ? -27.278 -16.885 -31.104 1.00 63.03 ? 287 GLU A CA 1 -ATOM 2194 C C . GLU A 1 309 ? -28.424 -17.276 -30.171 1.00 56.09 ? 287 GLU A C 1 -ATOM 2195 O O . GLU A 1 309 ? -29.136 -18.260 -30.420 1.00 61.82 ? 287 GLU A O 1 -ATOM 2196 C CB . GLU A 1 309 ? -27.782 -16.030 -32.264 1.00 63.06 ? 287 GLU A CB 1 -ATOM 2197 C CG . GLU A 1 309 ? -28.081 -14.594 -31.911 1.00 62.41 ? 287 GLU A CG 1 -ATOM 2198 C CD . GLU A 1 309 ? -28.416 -13.768 -33.145 1.00 68.89 ? 287 GLU A CD 1 -ATOM 2199 O OE1 . GLU A 1 309 ? -27.802 -14.011 -34.209 1.00 73.07 ? 287 GLU A OE1 1 -ATOM 2200 O OE2 . GLU A 1 309 ? -29.289 -12.880 -33.051 1.00 69.45 ? 287 GLU A OE2 1 -ATOM 2201 N N . SER A 1 310 ? -28.598 -16.497 -29.107 1.00 53.95 ? 288 SER A N 1 -ATOM 2202 C CA . SER A 1 310 ? -29.549 -16.816 -28.043 1.00 52.56 ? 288 SER A CA 1 -ATOM 2203 C C . SER A 1 310 ? -30.176 -15.576 -27.397 1.00 59.06 ? 288 SER A C 1 -ATOM 2204 O O . SER A 1 310 ? -29.516 -14.545 -27.243 1.00 68.47 ? 288 SER A O 1 -ATOM 2205 C CB . SER A 1 310 ? -28.835 -17.649 -26.978 1.00 63.20 ? 288 SER A CB 1 -ATOM 2206 O OG . SER A 1 310 ? -29.553 -17.695 -25.762 1.00 62.04 ? 288 SER A OG 1 -ATOM 2207 N N . THR A 1 311 ? -31.448 -15.673 -27.022 1.00 49.30 ? 289 THR A N 1 -ATOM 2208 C CA . THR A 1 311 ? -32.096 -14.649 -26.201 1.00 53.84 ? 289 THR A CA 1 -ATOM 2209 C C . THR A 1 311 ? -33.185 -15.305 -25.345 1.00 56.65 ? 289 THR A C 1 -ATOM 2210 O O . THR A 1 311 ? -33.560 -16.450 -25.605 1.00 56.30 ? 289 THR A O 1 -ATOM 2211 C CB . THR A 1 311 ? -32.699 -13.492 -27.087 1.00 57.23 ? 289 THR A CB 1 -ATOM 2212 O OG1 . THR A 1 311 ? -33.027 -12.355 -26.278 1.00 56.77 ? 289 THR A OG1 1 -ATOM 2213 C CG2 . THR A 1 311 ? -33.951 -13.937 -27.850 1.00 56.51 ? 289 THR A CG2 1 -ATOM 2214 N N . ASN A 1 312 ? -33.671 -14.608 -24.316 1.00 55.01 ? 290 ASN A N 1 -ATOM 2215 C CA . ASN A 1 312 ? -34.869 -15.047 -23.585 1.00 46.95 ? 290 ASN A CA 1 -ATOM 2216 C C . ASN A 1 312 ? -36.154 -14.482 -24.222 1.00 52.99 ? 290 ASN A C 1 -ATOM 2217 O O . ASN A 1 312 ? -36.081 -13.584 -25.071 1.00 44.93 ? 290 ASN A O 1 -ATOM 2218 C CB . ASN A 1 312 ? -34.800 -14.654 -22.106 1.00 37.75 ? 290 ASN A CB 1 -ATOM 2219 C CG . ASN A 1 312 ? -33.667 -15.366 -21.351 1.00 55.61 ? 290 ASN A CG 1 -ATOM 2220 O OD1 . ASN A 1 312 ? -32.695 -14.737 -20.940 1.00 56.71 ? 290 ASN A OD1 1 -ATOM 2221 N ND2 . ASN A 1 312 ? -33.795 -16.676 -21.163 1.00 37.77 ? 290 ASN A ND2 1 -ATOM 2222 N N . PHE A 1 313 ? -37.310 -15.035 -23.827 1.00 40.74 ? 291 PHE A N 1 -ATOM 2223 C CA . PHE A 1 313 ? -38.625 -14.533 -24.222 1.00 41.67 ? 291 PHE A CA 1 -ATOM 2224 C C . PHE A 1 313 ? -39.653 -15.068 -23.241 1.00 45.36 ? 291 PHE A C 1 -ATOM 2225 O O . PHE A 1 313 ? -39.334 -15.846 -22.338 1.00 41.29 ? 291 PHE A O 1 -ATOM 2226 C CB . PHE A 1 313 ? -39.002 -14.906 -25.667 1.00 45.56 ? 291 PHE A CB 1 -ATOM 2227 C CG . PHE A 1 313 ? -39.284 -16.392 -25.898 1.00 45.20 ? 291 PHE A CG 1 -ATOM 2228 C CD1 . PHE A 1 313 ? -38.279 -17.253 -26.277 1.00 41.88 ? 291 PHE A CD1 1 -ATOM 2229 C CD2 . PHE A 1 313 ? -40.564 -16.899 -25.783 1.00 46.52 ? 291 PHE A CD2 1 -ATOM 2230 C CE1 . PHE A 1 313 ? -38.538 -18.593 -26.516 1.00 49.65 ? 291 PHE A CE1 1 -ATOM 2231 C CE2 . PHE A 1 313 ? -40.828 -18.245 -26.013 1.00 46.01 ? 291 PHE A CE2 1 -ATOM 2232 C CZ . PHE A 1 313 ? -39.818 -19.084 -26.382 1.00 48.28 ? 291 PHE A CZ 1 -ATOM 2233 N N . ALA A 1 314 ? -40.902 -14.672 -23.416 1.00 37.83 ? 292 ALA A N 1 -ATOM 2234 C CA . ALA A 1 314 ? -41.889 -14.975 -22.394 1.00 34.67 ? 292 ALA A CA 1 -ATOM 2235 C C . ALA A 1 314 ? -43.236 -15.249 -23.039 1.00 37.97 ? 292 ALA A C 1 -ATOM 2236 O O . ALA A 1 314 ? -43.430 -14.947 -24.218 1.00 43.74 ? 292 ALA A O 1 -ATOM 2237 C CB . ALA A 1 314 ? -41.987 -13.794 -21.389 1.00 36.24 ? 292 ALA A CB 1 -ATOM 2238 N N . THR A 1 315 ? -44.154 -15.861 -22.287 1.00 43.94 ? 293 THR A N 1 -ATOM 2239 C CA . THR A 1 315 ? -45.579 -15.966 -22.689 1.00 37.34 ? 293 THR A CA 1 -ATOM 2240 C C . THR A 1 315 ? -46.426 -15.724 -21.455 1.00 39.85 ? 293 THR A C 1 -ATOM 2241 O O . THR A 1 315 ? -45.871 -15.560 -20.367 1.00 48.24 ? 293 THR A O 1 -ATOM 2242 C CB . THR A 1 315 ? -45.926 -17.337 -23.291 1.00 46.43 ? 293 THR A CB 1 -ATOM 2243 O OG1 . THR A 1 315 ? -45.810 -18.320 -22.262 1.00 38.40 ? 293 THR A OG1 1 -ATOM 2244 C CG2 . THR A 1 315 ? -44.972 -17.697 -24.396 1.00 41.03 ? 293 THR A CG2 1 -ATOM 2245 N N . ARG A 1 316 ? -47.753 -15.760 -21.585 1.00 51.84 ? 294 ARG A N 1 -ATOM 2246 C CA . ARG A 1 316 ? -48.612 -15.452 -20.433 1.00 46.80 ? 294 ARG A CA 1 -ATOM 2247 C C . ARG A 1 316 ? -48.394 -16.485 -19.337 1.00 46.58 ? 294 ARG A C 1 -ATOM 2248 O O . ARG A 1 316 ? -48.434 -16.152 -18.138 1.00 41.07 ? 294 ARG A O 1 -ATOM 2249 C CB . ARG A 1 316 ? -50.095 -15.386 -20.832 1.00 53.00 ? 294 ARG A CB 1 -ATOM 2250 C CG . ARG A 1 316 ? -50.369 -14.381 -21.949 1.00 53.73 ? 294 ARG A CG 1 -ATOM 2251 C CD . ARG A 1 316 ? -51.751 -13.706 -21.884 1.00 61.14 ? 294 ARG A CD 1 -ATOM 2252 N NE . ARG A 1 316 ? -52.888 -14.623 -21.829 1.00 84.74 ? 294 ARG A NE 1 -ATOM 2253 C CZ . ARG A 1 316 ? -53.661 -14.798 -20.755 1.00 91.46 ? 294 ARG A CZ 1 -ATOM 2254 N NH1 . ARG A 1 316 ? -53.414 -14.117 -19.637 1.00 76.96 ? 294 ARG A NH1 1 -ATOM 2255 N NH2 . ARG A 1 316 ? -54.684 -15.652 -20.794 1.00 79.67 ? 294 ARG A NH2 1 -ATOM 2256 N N . ARG A 1 317 ? -48.158 -17.733 -19.748 1.00 48.10 ? 295 ARG A N 1 -ATOM 2257 C CA . ARG A 1 317 ? -47.827 -18.812 -18.809 1.00 46.71 ? 295 ARG A CA 1 -ATOM 2258 C C . ARG A 1 317 ? -46.566 -18.515 -18.000 1.00 34.54 ? 295 ARG A C 1 -ATOM 2259 O O . ARG A 1 317 ? -46.466 -18.886 -16.843 1.00 35.54 ? 295 ARG A O 1 -ATOM 2260 C CB . ARG A 1 317 ? -47.647 -20.142 -19.563 1.00 49.88 ? 295 ARG A CB 1 -ATOM 2261 C CG . ARG A 1 317 ? -47.641 -21.376 -18.664 1.00 46.66 ? 295 ARG A CG 1 -ATOM 2262 C CD . ARG A 1 317 ? -47.704 -22.701 -19.452 1.00 50.68 ? 295 ARG A CD 1 -ATOM 2263 N NE . ARG A 1 317 ? -46.458 -23.011 -20.125 1.00 49.60 ? 295 ARG A NE 1 -ATOM 2264 C CZ . ARG A 1 317 ? -45.451 -23.635 -19.530 1.00 43.44 ? 295 ARG A CZ 1 -ATOM 2265 N NH1 . ARG A 1 317 ? -45.559 -23.984 -18.264 1.00 48.12 ? 295 ARG A NH1 1 -ATOM 2266 N NH2 . ARG A 1 317 ? -44.322 -23.857 -20.181 1.00 44.88 ? 295 ARG A NH2 1 -ATOM 2267 N N . TRP A 1 318 ? -45.594 -17.835 -18.593 1.00 42.77 ? 296 TRP A N 1 -ATOM 2268 C CA . TRP A 1 318 ? -44.371 -17.548 -17.835 1.00 39.83 ? 296 TRP A CA 1 -ATOM 2269 C C . TRP A 1 318 ? -44.612 -16.770 -16.557 1.00 36.19 ? 296 TRP A C 1 -ATOM 2270 O O . TRP A 1 318 ? -43.931 -16.977 -15.555 1.00 40.92 ? 296 TRP A O 1 -ATOM 2271 C CB . TRP A 1 318 ? -43.377 -16.766 -18.678 1.00 45.48 ? 296 TRP A CB 1 -ATOM 2272 C CG . TRP A 1 318 ? -42.317 -16.155 -17.840 1.00 41.55 ? 296 TRP A CG 1 -ATOM 2273 C CD1 . TRP A 1 318 ? -41.271 -16.799 -17.235 1.00 44.92 ? 296 TRP A CD1 1 -ATOM 2274 C CD2 . TRP A 1 318 ? -42.226 -14.785 -17.455 1.00 41.45 ? 296 TRP A CD2 1 -ATOM 2275 N NE1 . TRP A 1 318 ? -40.522 -15.902 -16.515 1.00 51.68 ? 296 TRP A NE1 1 -ATOM 2276 C CE2 . TRP A 1 318 ? -41.084 -14.655 -16.638 1.00 55.93 ? 296 TRP A CE2 1 -ATOM 2277 C CE3 . TRP A 1 318 ? -42.985 -13.649 -17.736 1.00 56.16 ? 296 TRP A CE3 1 -ATOM 2278 C CZ2 . TRP A 1 318 ? -40.681 -13.430 -16.099 1.00 44.81 ? 296 TRP A CZ2 1 -ATOM 2279 C CZ3 . TRP A 1 318 ? -42.576 -12.423 -17.205 1.00 56.29 ? 296 TRP A CZ3 1 -ATOM 2280 C CH2 . TRP A 1 318 ? -41.438 -12.330 -16.401 1.00 50.62 ? 296 TRP A CH2 1 -ATOM 2281 N N . ILE A 1 319 ? -45.586 -15.869 -16.586 1.00 42.02 ? 297 ILE A N 1 -ATOM 2282 C CA . ILE A 1 319 ? -45.748 -14.877 -15.518 1.00 36.71 ? 297 ILE A CA 1 -ATOM 2283 C C . ILE A 1 319 ? -45.750 -15.458 -14.098 1.00 39.88 ? 297 ILE A C 1 -ATOM 2284 O O . ILE A 1 319 ? -45.096 -14.927 -13.195 1.00 46.59 ? 297 ILE A O 1 -ATOM 2285 C CB . ILE A 1 319 ? -47.049 -14.073 -15.755 1.00 51.43 ? 297 ILE A CB 1 -ATOM 2286 C CG1 . ILE A 1 319 ? -46.882 -13.217 -17.018 1.00 39.25 ? 297 ILE A CG1 1 -ATOM 2287 C CG2 . ILE A 1 319 ? -47.391 -13.234 -14.535 1.00 44.76 ? 297 ILE A CG2 1 -ATOM 2288 C CD1 . ILE A 1 319 ? -48.051 -12.340 -17.328 1.00 53.47 ? 297 ILE A CD1 1 -ATOM 2289 N N . GLU A 1 320 ? -46.500 -16.531 -13.883 1.00 37.95 ? 298 GLU A N 1 -ATOM 2290 C CA . GLU A 1 320 ? -46.569 -17.114 -12.545 1.00 43.29 ? 298 GLU A CA 1 -ATOM 2291 C C . GLU A 1 320 ? -45.209 -17.689 -12.127 1.00 42.38 ? 298 GLU A C 1 -ATOM 2292 O O . GLU A 1 320 ? -44.839 -17.692 -10.953 1.00 45.20 ? 298 GLU A O 1 -ATOM 2293 C CB . GLU A 1 320 ? -47.665 -18.187 -12.480 1.00 45.94 ? 298 GLU A CB 1 -ATOM 2294 C CG . GLU A 1 320 ? -48.042 -18.530 -11.041 1.00 50.50 ? 298 GLU A CG 1 -ATOM 2295 C CD . GLU A 1 320 ? -48.643 -17.328 -10.291 1.00 69.85 ? 298 GLU A CD 1 -ATOM 2296 O OE1 . GLU A 1 320 ? -49.526 -16.645 -10.872 1.00 65.57 ? 298 GLU A OE1 1 -ATOM 2297 O OE2 . GLU A 1 320 ? -48.246 -17.071 -9.118 1.00 64.95 ? 298 GLU A OE2 1 -ATOM 2298 N N . TYR A 1 321 ? -44.479 -18.207 -13.101 1.00 35.38 ? 299 TYR A N 1 -ATOM 2299 C CA . TYR A 1 321 ? -43.127 -18.637 -12.844 1.00 53.10 ? 299 TYR A CA 1 -ATOM 2300 C C . TYR A 1 321 ? -42.333 -17.397 -12.431 1.00 48.12 ? 299 TYR A C 1 -ATOM 2301 O O . TYR A 1 321 ? -41.566 -17.426 -11.466 1.00 47.70 ? 299 TYR A O 1 -ATOM 2302 C CB . TYR A 1 321 ? -42.526 -19.303 -14.088 1.00 34.44 ? 299 TYR A CB 1 -ATOM 2303 C CG . TYR A 1 321 ? -43.072 -20.669 -14.384 1.00 39.64 ? 299 TYR A CG 1 -ATOM 2304 C CD1 . TYR A 1 321 ? -44.197 -20.839 -15.177 1.00 49.88 ? 299 TYR A CD1 1 -ATOM 2305 C CD2 . TYR A 1 321 ? -42.443 -21.801 -13.887 1.00 49.85 ? 299 TYR A CD2 1 -ATOM 2306 C CE1 . TYR A 1 321 ? -44.690 -22.120 -15.458 1.00 45.94 ? 299 TYR A CE1 1 -ATOM 2307 C CE2 . TYR A 1 321 ? -42.910 -23.072 -14.172 1.00 51.22 ? 299 TYR A CE2 1 -ATOM 2308 C CZ . TYR A 1 321 ? -44.031 -23.227 -14.952 1.00 52.63 ? 299 TYR A CZ 1 -ATOM 2309 O OH . TYR A 1 321 ? -44.483 -24.501 -15.213 1.00 67.36 ? 299 TYR A OH 1 -ATOM 2310 N N . GLY A 1 322 ? -42.576 -16.295 -13.141 1.00 37.67 ? 300 GLY A N 1 -ATOM 2311 C CA . GLY A 1 322 ? -41.847 -15.062 -12.886 1.00 52.35 ? 300 GLY A CA 1 -ATOM 2312 C C . GLY A 1 322 ? -41.989 -14.649 -11.445 1.00 57.24 ? 300 GLY A C 1 -ATOM 2313 O O . GLY A 1 322 ? -40.995 -14.288 -10.797 1.00 43.07 ? 300 GLY A O 1 -ATOM 2314 N N . LYS A 1 323 ? -43.222 -14.768 -10.939 1.00 51.20 ? 301 LYS A N 1 -ATOM 2315 C CA . LYS A 1 323 ? -43.571 -14.356 -9.576 1.00 43.90 ? 301 LYS A CA 1 -ATOM 2316 C C . LYS A 1 323 ? -42.969 -15.227 -8.483 1.00 42.84 ? 301 LYS A C 1 -ATOM 2317 O O . LYS A 1 323 ? -42.770 -14.766 -7.358 1.00 50.37 ? 301 LYS A O 1 -ATOM 2318 C CB . LYS A 1 323 ? -45.090 -14.331 -9.419 1.00 53.87 ? 301 LYS A CB 1 -ATOM 2319 C CG . LYS A 1 323 ? -45.764 -13.243 -10.241 1.00 48.25 ? 301 LYS A CG 1 -ATOM 2320 C CD . LYS A 1 323 ? -47.229 -13.575 -10.535 1.00 48.61 ? 301 LYS A CD 1 -ATOM 2321 C CE . LYS A 1 323 ? -48.034 -13.737 -9.270 1.00 51.70 ? 301 LYS A CE 1 -ATOM 2322 N NZ . LYS A 1 323 ? -49.463 -14.011 -9.592 1.00 66.25 ? 301 LYS A NZ 1 -ATOM 2323 N N . GLN A 1 324 ? -42.727 -16.499 -8.783 1.00 52.82 ? 302 GLN A N 1 -ATOM 2324 C CA . GLN A 1 324 ? -42.298 -17.423 -7.736 1.00 50.89 ? 302 GLN A CA 1 -ATOM 2325 C C . GLN A 1 324 ? -40.836 -17.808 -7.841 1.00 48.49 ? 302 GLN A C 1 -ATOM 2326 O O . GLN A 1 324 ? -40.304 -18.501 -6.961 1.00 51.34 ? 302 GLN A O 1 -ATOM 2327 C CB . GLN A 1 324 ? -43.154 -18.680 -7.768 1.00 54.02 ? 302 GLN A CB 1 -ATOM 2328 C CG . GLN A 1 324 ? -44.635 -18.385 -7.762 1.00 57.75 ? 302 GLN A CG 1 -ATOM 2329 C CD . GLN A 1 324 ? -45.476 -19.639 -7.688 1.00 62.21 ? 302 GLN A CD 1 -ATOM 2330 O OE1 . GLN A 1 324 ? -44.962 -20.735 -7.461 1.00 71.05 ? 302 GLN A OE1 1 -ATOM 2331 N NE2 . GLN A 1 324 ? -46.781 -19.488 -7.908 1.00 67.64 ? 302 GLN A NE2 1 -ATOM 2332 N N . ALA A 1 325 ? -40.188 -17.385 -8.919 1.00 48.18 ? 303 ALA A N 1 -ATOM 2333 C CA . ALA A 1 325 ? -38.792 -17.776 -9.138 1.00 54.80 ? 303 ALA A CA 1 -ATOM 2334 C C . ALA A 1 325 ? -37.941 -17.389 -7.935 1.00 43.24 ? 303 ALA A C 1 -ATOM 2335 O O . ALA A 1 325 ? -38.100 -16.314 -7.375 1.00 56.37 ? 303 ALA A O 1 -ATOM 2336 C CB . ALA A 1 325 ? -38.248 -17.141 -10.398 1.00 42.97 ? 303 ALA A CB 1 -ATOM 2337 N N . VAL A 1 326 ? -37.104 -18.315 -7.489 1.00 60.39 ? 304 VAL A N 1 -ATOM 2338 C CA . VAL A 1 326 ? -36.152 -18.044 -6.422 1.00 47.10 ? 304 VAL A CA 1 -ATOM 2339 C C . VAL A 1 326 ? -34.856 -17.544 -7.072 1.00 59.79 ? 304 VAL A C 1 -ATOM 2340 O O . VAL A 1 326 ? -34.311 -18.194 -7.973 1.00 61.54 ? 304 VAL A O 1 -ATOM 2341 C CB . VAL A 1 326 ? -35.903 -19.307 -5.554 1.00 60.21 ? 304 VAL A CB 1 -ATOM 2342 C CG1 . VAL A 1 326 ? -35.063 -18.979 -4.326 1.00 61.35 ? 304 VAL A CG1 1 -ATOM 2343 C CG2 . VAL A 1 326 ? -37.231 -19.931 -5.149 1.00 46.82 ? 304 VAL A CG2 1 -ATOM 2344 N N . LEU A 1 327 ? -34.378 -16.380 -6.642 1.00 60.07 ? 305 LEU A N 1 -ATOM 2345 C CA . LEU A 1 327 ? -33.197 -15.773 -7.263 1.00 55.98 ? 305 LEU A CA 1 -ATOM 2346 C C . LEU A 1 327 ? -31.963 -15.842 -6.374 1.00 51.26 ? 305 LEU A C 1 -ATOM 2347 O O . LEU A 1 327 ? -32.050 -16.098 -5.163 1.00 46.28 ? 305 LEU A O 1 -ATOM 2348 C CB . LEU A 1 327 ? -33.475 -14.314 -7.637 1.00 49.91 ? 305 LEU A CB 1 -ATOM 2349 C CG . LEU A 1 327 ? -34.694 -14.137 -8.541 1.00 63.56 ? 305 LEU A CG 1 -ATOM 2350 C CD1 . LEU A 1 327 ? -34.912 -12.671 -8.809 1.00 52.61 ? 305 LEU A CD1 1 -ATOM 2351 C CD2 . LEU A 1 327 ? -34.580 -14.945 -9.851 1.00 55.92 ? 305 LEU A CD2 1 -ATOM 2352 N N . CYS A 1 328 ? -30.809 -15.620 -7.000 1.00 66.82 ? 306 CYS A N 1 -ATOM 2353 C CA . CYS A 1 328 ? -29.535 -15.593 -6.293 1.00 62.71 ? 306 CYS A CA 1 -ATOM 2354 C C . CYS A 1 328 ? -29.593 -14.565 -5.165 1.00 62.98 ? 306 CYS A C 1 -ATOM 2355 O O . CYS A 1 328 ? -30.077 -13.439 -5.357 1.00 50.20 ? 306 CYS A O 1 -ATOM 2356 C CB . CYS A 1 328 ? -28.410 -15.276 -7.272 1.00 60.03 ? 306 CYS A CB 1 -ATOM 2357 S SG . CYS A 1 328 ? -26.782 -15.149 -6.546 1.00 56.91 ? 306 CYS A SG 1 -ATOM 2358 N N . SER A 1 329 ? -29.111 -14.961 -3.991 1.00 52.52 ? 307 SER A N 1 -ATOM 2359 C CA . SER A 1 329 ? -29.217 -14.123 -2.798 1.00 58.15 ? 307 SER A CA 1 -ATOM 2360 C C . SER A 1 329 ? -27.884 -13.542 -2.304 1.00 59.02 ? 307 SER A C 1 -ATOM 2361 O O . SER A 1 329 ? -27.856 -12.873 -1.282 1.00 52.16 ? 307 SER A O 1 -ATOM 2362 C CB . SER A 1 329 ? -29.832 -14.931 -1.659 1.00 61.67 ? 307 SER A CB 1 -ATOM 2363 O OG . SER A 1 329 ? -28.911 -15.920 -1.219 1.00 66.56 ? 307 SER A OG 1 -ATOM 2364 N N . CYS A 1 330 ? -26.785 -13.786 -3.016 1.00 61.29 ? 308 CYS A N 1 -ATOM 2365 C CA . CYS A 1 330 ? -25.475 -13.516 -2.434 1.00 60.76 ? 308 CYS A CA 1 -ATOM 2366 C C . CYS A 1 330 ? -24.590 -12.584 -3.245 1.00 62.26 ? 308 CYS A C 1 -ATOM 2367 O O . CYS A 1 330 ? -23.457 -12.314 -2.847 1.00 72.41 ? 308 CYS A O 1 -ATOM 2368 C CB . CYS A 1 330 ? -24.712 -14.830 -2.251 1.00 63.65 ? 308 CYS A CB 1 -ATOM 2369 S SG . CYS A 1 330 ? -24.057 -15.493 -3.812 1.00 56.53 ? 308 CYS A SG 1 -ATOM 2370 N N . ARG A 1 331 ? -25.067 -12.133 -4.398 1.00 68.89 ? 309 ARG A N 1 -ATOM 2371 C CA . ARG A 1 331 ? -24.305 -11.176 -5.187 1.00 70.72 ? 309 ARG A CA 1 -ATOM 2372 C C . ARG A 1 331 ? -25.210 -10.161 -5.871 1.00 81.10 ? 309 ARG A C 1 -ATOM 2373 O O . ARG A 1 331 ? -26.404 -10.401 -6.056 1.00 81.95 ? 309 ARG A O 1 -ATOM 2374 C CB . ARG A 1 331 ? -23.426 -11.892 -6.215 1.00 73.19 ? 309 ARG A CB 1 -ATOM 2375 C CG . ARG A 1 331 ? -24.144 -12.839 -7.141 1.00 73.86 ? 309 ARG A CG 1 -ATOM 2376 C CD . ARG A 1 331 ? -23.147 -13.670 -7.940 1.00 67.24 ? 309 ARG A CD 1 -ATOM 2377 N NE . ARG A 1 331 ? -22.288 -14.447 -7.046 1.00 81.20 ? 309 ARG A NE 1 -ATOM 2378 C CZ . ARG A 1 331 ? -21.638 -15.562 -7.381 1.00 74.47 ? 309 ARG A CZ 1 -ATOM 2379 N NH1 . ARG A 1 331 ? -21.741 -16.067 -8.608 1.00 68.50 ? 309 ARG A NH1 1 -ATOM 2380 N NH2 . ARG A 1 331 ? -20.879 -16.174 -6.477 1.00 71.03 ? 309 ARG A NH2 1 -ATOM 2381 N N . LYS A 1 332 ? -24.632 -9.014 -6.213 1.00 92.39 ? 310 LYS A N 1 -ATOM 2382 C CA . LYS A 1 332 ? -25.344 -7.962 -6.924 1.00 89.15 ? 310 LYS A CA 1 -ATOM 2383 C C . LYS A 1 332 ? -25.205 -8.240 -8.427 1.00 90.36 ? 310 LYS A C 1 -ATOM 2384 O O . LYS A 1 332 ? -24.660 -9.278 -8.817 1.00 95.39 ? 310 LYS A O 1 -ATOM 2385 C CB . LYS A 1 332 ? -24.800 -6.583 -6.548 1.00 81.17 ? 310 LYS A CB 1 -ATOM 2386 N N . ASP A 1 333 ? -25.668 -7.305 -9.254 1.00 91.94 ? 311 ASP A N 1 -ATOM 2387 C CA . ASP A 1 333 ? -25.715 -7.459 -10.715 1.00 93.26 ? 311 ASP A CA 1 -ATOM 2388 C C . ASP A 1 333 ? -26.250 -8.836 -11.137 1.00 97.74 ? 311 ASP A C 1 -ATOM 2389 O O . ASP A 1 333 ? -25.723 -9.478 -12.054 1.00 98.85 ? 311 ASP A O 1 -ATOM 2390 C CB . ASP A 1 333 ? -24.330 -7.226 -11.326 1.00 77.69 ? 311 ASP A CB 1 -ATOM 2391 N N . MET A 1 334 ? -27.312 -9.272 -10.467 1.00 85.11 ? 312 MET A N 1 -ATOM 2392 C CA . MET A 1 334 ? -27.992 -10.498 -10.837 1.00 81.92 ? 312 MET A CA 1 -ATOM 2393 C C . MET A 1 334 ? -29.264 -10.087 -11.563 1.00 81.20 ? 312 MET A C 1 -ATOM 2394 O O . MET A 1 334 ? -29.923 -9.119 -11.159 1.00 71.73 ? 312 MET A O 1 -ATOM 2395 C CB . MET A 1 334 ? -28.304 -11.353 -9.613 1.00 78.38 ? 312 MET A CB 1 -ATOM 2396 C CG . MET A 1 334 ? -27.077 -12.023 -9.028 1.00 86.96 ? 312 MET A CG 1 -ATOM 2397 S SD . MET A 1 334 ? -25.790 -12.394 -10.247 1.00 111.97 ? 312 MET A SD 1 -ATOM 2398 C CE . MET A 1 334 ? -25.907 -14.184 -10.361 1.00 68.79 ? 312 MET A CE 1 -ATOM 2399 N N . VAL A 1 335 ? -29.614 -10.810 -12.624 1.00 72.93 ? 313 VAL A N 1 -ATOM 2400 C CA . VAL A 1 335 ? -30.792 -10.462 -13.400 1.00 64.04 ? 313 VAL A CA 1 -ATOM 2401 C C . VAL A 1 335 ? -32.023 -10.632 -12.516 1.00 65.49 ? 313 VAL A C 1 -ATOM 2402 O O . VAL A 1 335 ? -32.363 -11.746 -12.123 1.00 67.41 ? 313 VAL A O 1 -ATOM 2403 C CB . VAL A 1 335 ? -30.916 -11.317 -14.676 1.00 58.24 ? 313 VAL A CB 1 -ATOM 2404 N N . LYS A 1 336 ? -32.634 -9.498 -12.160 1.00 66.06 ? 314 LYS A N 1 -ATOM 2405 C CA . LYS A 1 336 ? -33.895 -9.437 -11.427 1.00 60.28 ? 314 LYS A CA 1 -ATOM 2406 C C . LYS A 1 336 ? -34.859 -8.569 -12.206 1.00 64.92 ? 314 LYS A C 1 -ATOM 2407 O O . LYS A 1 336 ? -34.490 -7.499 -12.659 1.00 69.11 ? 314 LYS A O 1 -ATOM 2408 C CB . LYS A 1 336 ? -33.673 -8.874 -10.019 1.00 65.62 ? 314 LYS A CB 1 -ATOM 2409 C CG . LYS A 1 336 ? -34.875 -8.209 -9.348 1.00 59.24 ? 314 LYS A CG 1 -ATOM 2410 C CD . LYS A 1 336 ? -35.922 -9.210 -8.880 1.00 70.67 ? 314 LYS A CD 1 -ATOM 2411 C CE . LYS A 1 336 ? -36.929 -8.561 -7.918 1.00 80.53 ? 314 LYS A CE 1 -ATOM 2412 N NZ . LYS A 1 336 ? -38.114 -7.929 -8.602 1.00 82.09 ? 314 LYS A NZ 1 -ATOM 2413 N N . ILE A 1 337 ? -36.095 -9.028 -12.363 1.00 63.91 ? 315 ILE A N 1 -ATOM 2414 C CA . ILE A 1 337 ? -37.094 -8.299 -13.134 1.00 48.14 ? 315 ILE A CA 1 -ATOM 2415 C C . ILE A 1 337 ? -38.302 -8.045 -12.250 1.00 63.66 ? 315 ILE A C 1 -ATOM 2416 O O . ILE A 1 337 ? -38.766 -8.954 -11.537 1.00 63.66 ? 315 ILE A O 1 -ATOM 2417 C CB . ILE A 1 337 ? -37.503 -9.076 -14.414 1.00 64.99 ? 315 ILE A CB 1 -ATOM 2418 C CG1 . ILE A 1 337 ? -36.380 -9.004 -15.451 1.00 55.76 ? 315 ILE A CG1 1 -ATOM 2419 C CG2 . ILE A 1 337 ? -38.819 -8.545 -15.007 1.00 53.41 ? 315 ILE A CG2 1 -ATOM 2420 C CD1 . ILE A 1 337 ? -36.654 -9.797 -16.691 1.00 49.80 ? 315 ILE A CD1 1 -ATOM 2421 N N . SER A 1 338 ? -38.765 -6.797 -12.258 1.00 40.78 ? 316 SER A N 1 -ATOM 2422 C CA . SER A 1 338 ? -39.958 -6.397 -11.520 1.00 53.15 ? 316 SER A CA 1 -ATOM 2423 C C . SER A 1 338 ? -41.187 -7.002 -12.179 1.00 44.34 ? 316 SER A C 1 -ATOM 2424 O O . SER A 1 338 ? -41.468 -6.721 -13.346 1.00 45.12 ? 316 SER A O 1 -ATOM 2425 C CB . SER A 1 338 ? -40.089 -4.861 -11.465 1.00 54.98 ? 316 SER A CB 1 -ATOM 2426 O OG . SER A 1 338 ? -41.224 -4.482 -10.682 1.00 61.13 ? 316 SER A OG 1 -ATOM 2427 N N . MET A 1 339 ? -41.930 -7.813 -11.438 1.00 42.24 ? 317 MET A N 1 -ATOM 2428 C CA . MET A 1 339 ? -43.121 -8.446 -12.018 1.00 50.66 ? 317 MET A CA 1 -ATOM 2429 C C . MET A 1 339 ? -44.368 -7.537 -11.958 1.00 49.12 ? 317 MET A C 1 -ATOM 2430 O O . MET A 1 339 ? -45.419 -7.889 -12.484 1.00 44.76 ? 317 MET A O 1 -ATOM 2431 C CB . MET A 1 339 ? -43.406 -9.768 -11.312 1.00 43.40 ? 317 MET A CB 1 -ATOM 2432 C CG . MET A 1 339 ? -42.273 -10.813 -11.447 1.00 50.26 ? 317 MET A CG 1 -ATOM 2433 S SD . MET A 1 339 ? -41.903 -11.208 -13.158 1.00 49.33 ? 317 MET A SD 1 -ATOM 2434 C CE . MET A 1 339 ? -43.439 -12.053 -13.641 1.00 43.75 ? 317 MET A CE 1 -ATOM 2435 N N . ASP A 1 340 ? -44.264 -6.396 -11.278 1.00 54.75 ? 318 ASP A N 1 -ATOM 2436 C CA . ASP A 1 340 ? -45.436 -5.532 -11.028 1.00 50.30 ? 318 ASP A CA 1 -ATOM 2437 C C . ASP A 1 340 ? -46.228 -5.226 -12.308 1.00 44.97 ? 318 ASP A C 1 -ATOM 2438 O O . ASP A 1 340 ? -47.427 -5.490 -12.384 1.00 55.42 ? 318 ASP A O 1 -ATOM 2439 C CB . ASP A 1 340 ? -45.002 -4.230 -10.368 1.00 60.16 ? 318 ASP A CB 1 -ATOM 2440 C CG . ASP A 1 340 ? -46.096 -3.622 -9.536 1.00 74.00 ? 318 ASP A CG 1 -ATOM 2441 O OD1 . ASP A 1 340 ? -46.930 -2.878 -10.101 1.00 73.50 ? 318 ASP A OD1 1 -ATOM 2442 O OD2 . ASP A 1 340 ? -46.118 -3.895 -8.312 1.00 76.03 ? 318 ASP A OD2 1 -ATOM 2443 N N . VAL A 1 341 ? -45.545 -4.713 -13.326 1.00 52.18 ? 319 VAL A N 1 -ATOM 2444 C CA . VAL A 1 341 ? -46.169 -4.416 -14.614 1.00 48.40 ? 319 VAL A CA 1 -ATOM 2445 C C . VAL A 1 341 ? -46.907 -5.619 -15.228 1.00 54.57 ? 319 VAL A C 1 -ATOM 2446 O O . VAL A 1 341 ? -47.998 -5.474 -15.768 1.00 54.41 ? 319 VAL A O 1 -ATOM 2447 C CB . VAL A 1 341 ? -45.112 -3.879 -15.631 1.00 51.29 ? 319 VAL A CB 1 -ATOM 2448 C CG1 . VAL A 1 341 ? -44.114 -4.973 -16.037 1.00 57.99 ? 319 VAL A CG1 1 -ATOM 2449 C CG2 . VAL A 1 341 ? -45.791 -3.339 -16.867 1.00 58.86 ? 319 VAL A CG2 1 -ATOM 2450 N N . PHE A 1 342 ? -46.325 -6.809 -15.133 1.00 53.66 ? 320 PHE A N 1 -ATOM 2451 C CA . PHE A 1 342 ? -46.930 -7.989 -15.741 1.00 45.79 ? 320 PHE A CA 1 -ATOM 2452 C C . PHE A 1 342 ? -48.203 -8.411 -15.026 1.00 41.85 ? 320 PHE A C 1 -ATOM 2453 O O . PHE A 1 342 ? -49.175 -8.802 -15.664 1.00 47.22 ? 320 PHE A O 1 -ATOM 2454 C CB . PHE A 1 342 ? -45.939 -9.163 -15.763 1.00 46.96 ? 320 PHE A CB 1 -ATOM 2455 C CG . PHE A 1 342 ? -44.825 -8.985 -16.748 1.00 43.73 ? 320 PHE A CG 1 -ATOM 2456 C CD1 . PHE A 1 342 ? -45.024 -9.272 -18.089 1.00 45.74 ? 320 PHE A CD1 1 -ATOM 2457 C CD2 . PHE A 1 342 ? -43.579 -8.536 -16.334 1.00 37.39 ? 320 PHE A CD2 1 -ATOM 2458 C CE1 . PHE A 1 342 ? -44.003 -9.110 -19.000 1.00 51.17 ? 320 PHE A CE1 1 -ATOM 2459 C CE2 . PHE A 1 342 ? -42.553 -8.374 -17.236 1.00 40.17 ? 320 PHE A CE2 1 -ATOM 2460 C CZ . PHE A 1 342 ? -42.757 -8.653 -18.569 1.00 46.29 ? 320 PHE A CZ 1 -ATOM 2461 N N . VAL A 1 343 ? -48.180 -8.357 -13.701 1.00 46.47 ? 321 VAL A N 1 -ATOM 2462 C CA . VAL A 1 343 ? -49.327 -8.772 -12.900 1.00 49.74 ? 321 VAL A CA 1 -ATOM 2463 C C . VAL A 1 343 ? -50.475 -7.769 -13.041 1.00 60.95 ? 321 VAL A C 1 -ATOM 2464 O O . VAL A 1 343 ? -51.663 -8.133 -13.021 1.00 51.76 ? 321 VAL A O 1 -ATOM 2465 C CB . VAL A 1 343 ? -48.940 -8.927 -11.431 1.00 47.87 ? 321 VAL A CB 1 -ATOM 2466 C CG1 . VAL A 1 343 ? -50.123 -9.435 -10.628 1.00 50.14 ? 321 VAL A CG1 1 -ATOM 2467 C CG2 . VAL A 1 343 ? -47.763 -9.905 -11.309 1.00 52.37 ? 321 VAL A CG2 1 -ATOM 2468 N N . ARG A 1 344 ? -50.121 -6.490 -13.130 1.00 55.46 ? 322 ARG A N 1 -ATOM 2469 C CA . ARG A 1 344 ? -51.145 -5.462 -13.264 1.00 58.78 ? 322 ARG A CA 1 -ATOM 2470 C C . ARG A 1 344 ? -51.877 -5.668 -14.583 1.00 57.04 ? 322 ARG A C 1 -ATOM 2471 O O . ARG A 1 344 ? -53.106 -5.589 -14.624 1.00 58.17 ? 322 ARG A O 1 -ATOM 2472 C CB . ARG A 1 344 ? -50.550 -4.054 -13.157 1.00 45.74 ? 322 ARG A CB 1 -ATOM 2473 N N . LYS A 1 345 ? -51.129 -5.971 -15.650 1.00 54.31 ? 323 LYS A N 1 -ATOM 2474 C CA . LYS A 1 345 ? -51.722 -6.061 -16.991 1.00 52.35 ? 323 LYS A CA 1 -ATOM 2475 C C . LYS A 1 345 ? -52.417 -7.381 -17.338 1.00 58.15 ? 323 LYS A C 1 -ATOM 2476 O O . LYS A 1 345 ? -53.451 -7.355 -18.005 1.00 57.08 ? 323 LYS A O 1 -ATOM 2477 C CB . LYS A 1 345 ? -50.654 -5.796 -18.058 1.00 51.88 ? 323 LYS A CB 1 -ATOM 2478 C CG . LYS A 1 345 ? -51.189 -5.845 -19.495 1.00 57.86 ? 323 LYS A CG 1 -ATOM 2479 C CD . LYS A 1 345 ? -50.073 -5.735 -20.519 1.00 55.87 ? 323 LYS A CD 1 -ATOM 2480 C CE . LYS A 1 345 ? -50.611 -5.501 -21.928 1.00 63.72 ? 323 LYS A CE 1 -ATOM 2481 N NZ . LYS A 1 345 ? -50.992 -4.077 -22.190 1.00 80.90 ? 323 LYS A NZ 1 -ATOM 2482 N N . PHE A 1 346 ? -51.886 -8.521 -16.889 1.00 47.83 ? 324 PHE A N 1 -ATOM 2483 C CA . PHE A 1 346 ? -52.442 -9.814 -17.321 1.00 47.47 ? 324 PHE A CA 1 -ATOM 2484 C C . PHE A 1 346 ? -53.203 -10.586 -16.232 1.00 52.50 ? 324 PHE A C 1 -ATOM 2485 O O . PHE A 1 346 ? -53.933 -11.525 -16.537 1.00 62.08 ? 324 PHE A O 1 -ATOM 2486 C CB . PHE A 1 346 ? -51.330 -10.721 -17.859 1.00 55.70 ? 324 PHE A CB 1 -ATOM 2487 C CG . PHE A 1 346 ? -50.625 -10.171 -19.047 1.00 50.03 ? 324 PHE A CG 1 -ATOM 2488 C CD1 . PHE A 1 346 ? -51.138 -10.348 -20.313 1.00 48.98 ? 324 PHE A CD1 1 -ATOM 2489 C CD2 . PHE A 1 346 ? -49.441 -9.470 -18.897 1.00 54.44 ? 324 PHE A CD2 1 -ATOM 2490 C CE1 . PHE A 1 346 ? -50.491 -9.835 -21.412 1.00 51.05 ? 324 PHE A CE1 1 -ATOM 2491 C CE2 . PHE A 1 346 ? -48.778 -8.952 -20.003 1.00 42.10 ? 324 PHE A CE2 1 -ATOM 2492 C CZ . PHE A 1 346 ? -49.307 -9.140 -21.260 1.00 47.78 ? 324 PHE A CZ 1 -ATOM 2493 N N . GLN A 1 347 ? -52.994 -10.225 -14.971 1.00 54.78 ? 325 GLN A N 1 -ATOM 2494 C CA . GLN A 1 347 ? -53.728 -10.828 -13.859 1.00 53.47 ? 325 GLN A CA 1 -ATOM 2495 C C . GLN A 1 347 ? -54.253 -9.792 -12.850 1.00 64.50 ? 325 GLN A C 1 -ATOM 2496 O O . GLN A 1 347 ? -54.008 -9.924 -11.649 1.00 62.73 ? 325 GLN A O 1 -ATOM 2497 C CB . GLN A 1 347 ? -52.814 -11.824 -13.134 1.00 63.06 ? 325 GLN A CB 1 -ATOM 2498 C CG . GLN A 1 347 ? -52.251 -12.924 -14.045 1.00 57.42 ? 325 GLN A CG 1 -ATOM 2499 C CD . GLN A 1 347 ? -51.253 -13.836 -13.343 1.00 64.56 ? 325 GLN A CD 1 -ATOM 2500 O OE1 . GLN A 1 347 ? -50.769 -13.529 -12.249 1.00 61.32 ? 325 GLN A OE1 1 -ATOM 2501 N NE2 . GLN A 1 347 ? -50.949 -14.977 -13.972 1.00 73.12 ? 325 GLN A NE2 1 -ATOM 2502 N N . PRO A 1 348 ? -55.016 -8.784 -13.321 1.00 58.82 ? 326 PRO A N 1 -ATOM 2503 C CA . PRO A 1 348 ? -55.399 -7.671 -12.435 1.00 55.55 ? 326 PRO A CA 1 -ATOM 2504 C C . PRO A 1 348 ? -56.243 -8.065 -11.224 1.00 61.89 ? 326 PRO A C 1 -ATOM 2505 O O . PRO A 1 348 ? -56.226 -7.364 -10.215 1.00 63.66 ? 326 PRO A O 1 -ATOM 2506 C CB . PRO A 1 348 ? -56.193 -6.743 -13.363 1.00 62.32 ? 326 PRO A CB 1 -ATOM 2507 C CG . PRO A 1 348 ? -56.660 -7.622 -14.475 1.00 64.22 ? 326 PRO A CG 1 -ATOM 2508 C CD . PRO A 1 348 ? -55.579 -8.632 -14.673 1.00 57.31 ? 326 PRO A CD 1 -ATOM 2509 N N . GLU A 1 349 ? -56.972 -9.169 -11.316 1.00 59.61 ? 327 GLU A N 1 -ATOM 2510 C CA . GLU A 1 349 ? -57.807 -9.594 -10.202 1.00 63.41 ? 327 GLU A CA 1 -ATOM 2511 C C . GLU A 1 349 ? -56.980 -10.048 -8.995 1.00 61.16 ? 327 GLU A C 1 -ATOM 2512 O O . GLU A 1 349 ? -57.450 -9.995 -7.861 1.00 67.61 ? 327 GLU A O 1 -ATOM 2513 C CB . GLU A 1 349 ? -58.762 -10.713 -10.644 1.00 66.90 ? 327 GLU A CB 1 -ATOM 2514 C CG . GLU A 1 349 ? -58.112 -12.046 -11.024 1.00 66.85 ? 327 GLU A CG 1 -ATOM 2515 C CD . GLU A 1 349 ? -57.365 -12.047 -12.369 1.00 83.15 ? 327 GLU A CD 1 -ATOM 2516 O OE1 . GLU A 1 349 ? -57.309 -11.002 -13.080 1.00 65.40 ? 327 GLU A OE1 1 -ATOM 2517 O OE2 . GLU A 1 349 ? -56.831 -13.131 -12.715 1.00 90.78 ? 327 GLU A OE2 1 -ATOM 2518 N N . ARG A 1 350 ? -55.745 -10.483 -9.225 1.00 66.61 ? 328 ARG A N 1 -ATOM 2519 C CA . ARG A 1 350 ? -54.921 -10.966 -8.118 1.00 58.92 ? 328 ARG A CA 1 -ATOM 2520 C C . ARG A 1 350 ? -53.850 -9.962 -7.695 1.00 64.06 ? 328 ARG A C 1 -ATOM 2521 O O . ARG A 1 350 ? -53.077 -10.230 -6.773 1.00 51.65 ? 328 ARG A O 1 -ATOM 2522 C CB . ARG A 1 350 ? -54.309 -12.333 -8.435 1.00 70.69 ? 328 ARG A CB 1 -ATOM 2523 C CG . ARG A 1 350 ? -55.351 -13.453 -8.323 1.00 78.78 ? 328 ARG A CG 1 -ATOM 2524 C CD . ARG A 1 350 ? -54.756 -14.854 -8.403 1.00 78.48 ? 328 ARG A CD 1 -ATOM 2525 N NE . ARG A 1 350 ? -53.782 -14.984 -9.479 1.00 80.13 ? 328 ARG A NE 1 -ATOM 2526 C CZ . ARG A 1 350 ? -53.098 -16.097 -9.729 1.00 92.78 ? 328 ARG A CZ 1 -ATOM 2527 N NH1 . ARG A 1 350 ? -53.289 -17.178 -8.979 1.00 89.04 ? 328 ARG A NH1 1 -ATOM 2528 N NH2 . ARG A 1 350 ? -52.222 -16.130 -10.727 1.00 83.74 ? 328 ARG A NH2 1 -ATOM 2529 N N . TYR A 1 351 ? -53.779 -8.829 -8.392 1.00 63.84 ? 329 TYR A N 1 -ATOM 2530 C CA . TYR A 1 351 ? -52.762 -7.822 -8.083 1.00 61.26 ? 329 TYR A CA 1 -ATOM 2531 C C . TYR A 1 351 ? -52.739 -7.456 -6.600 1.00 59.27 ? 329 TYR A C 1 -ATOM 2532 O O . TYR A 1 351 ? -51.675 -7.433 -5.990 1.00 67.38 ? 329 TYR A O 1 -ATOM 2533 C CB . TYR A 1 351 ? -52.969 -6.555 -8.919 1.00 59.72 ? 329 TYR A CB 1 -ATOM 2534 C CG . TYR A 1 351 ? -51.907 -5.506 -8.674 1.00 57.69 ? 329 TYR A CG 1 -ATOM 2535 C CD1 . TYR A 1 351 ? -50.668 -5.595 -9.280 1.00 60.77 ? 329 TYR A CD1 1 -ATOM 2536 C CD2 . TYR A 1 351 ? -52.144 -4.430 -7.824 1.00 62.96 ? 329 TYR A CD2 1 -ATOM 2537 C CE1 . TYR A 1 351 ? -49.684 -4.641 -9.054 1.00 65.32 ? 329 TYR A CE1 1 -ATOM 2538 C CE2 . TYR A 1 351 ? -51.168 -3.460 -7.595 1.00 65.14 ? 329 TYR A CE2 1 -ATOM 2539 C CZ . TYR A 1 351 ? -49.945 -3.575 -8.216 1.00 67.25 ? 329 TYR A CZ 1 -ATOM 2540 O OH . TYR A 1 351 ? -48.972 -2.636 -7.994 1.00 70.34 ? 329 TYR A OH 1 -ATOM 2541 N N . LYS A 1 352 ? -53.902 -7.197 -6.009 1.00 67.54 ? 330 LYS A N 1 -ATOM 2542 C CA . LYS A 1 352 ? -53.950 -6.789 -4.600 1.00 64.54 ? 330 LYS A CA 1 -ATOM 2543 C C . LYS A 1 352 ? -53.579 -7.918 -3.641 1.00 64.10 ? 330 LYS A C 1 -ATOM 2544 O O . LYS A 1 352 ? -52.934 -7.683 -2.618 1.00 72.45 ? 330 LYS A O 1 -ATOM 2545 C CB . LYS A 1 352 ? -55.332 -6.252 -4.231 1.00 58.64 ? 330 LYS A CB 1 -ATOM 2546 C CG . LYS A 1 352 ? -55.363 -5.510 -2.896 1.00 69.53 ? 330 LYS A CG 1 -ATOM 2547 N N . LEU A 1 353 ? -53.986 -9.141 -3.955 1.00 67.16 ? 331 LEU A N 1 -ATOM 2548 C CA . LEU A 1 353 ? -53.586 -10.270 -3.120 1.00 78.01 ? 331 LEU A CA 1 -ATOM 2549 C C . LEU A 1 353 ? -52.076 -10.471 -3.186 1.00 61.88 ? 331 LEU A C 1 -ATOM 2550 O O . LEU A 1 353 ? -51.422 -10.702 -2.185 1.00 65.09 ? 331 LEU A O 1 -ATOM 2551 C CB . LEU A 1 353 ? -54.307 -11.549 -3.554 1.00 74.65 ? 331 LEU A CB 1 -ATOM 2552 C CG . LEU A 1 353 ? -55.644 -11.807 -2.873 1.00 74.36 ? 331 LEU A CG 1 -ATOM 2553 C CD1 . LEU A 1 353 ? -56.564 -12.624 -3.776 1.00 72.91 ? 331 LEU A CD1 1 -ATOM 2554 C CD2 . LEU A 1 353 ? -55.398 -12.523 -1.551 1.00 81.17 ? 331 LEU A CD2 1 -ATOM 2555 N N . TRP A 1 354 ? -51.536 -10.356 -4.385 1.00 59.43 ? 332 TRP A N 1 -ATOM 2556 C CA . TRP A 1 354 ? -50.126 -10.592 -4.616 1.00 68.56 ? 332 TRP A CA 1 -ATOM 2557 C C . TRP A 1 354 ? -49.271 -9.535 -3.921 1.00 71.26 ? 332 TRP A C 1 -ATOM 2558 O O . TRP A 1 354 ? -48.330 -9.864 -3.185 1.00 62.90 ? 332 TRP A O 1 -ATOM 2559 C CB . TRP A 1 354 ? -49.862 -10.626 -6.122 1.00 61.45 ? 332 TRP A CB 1 -ATOM 2560 C CG . TRP A 1 354 ? -48.436 -10.685 -6.504 1.00 66.48 ? 332 TRP A CG 1 -ATOM 2561 C CD1 . TRP A 1 354 ? -47.588 -11.761 -6.389 1.00 58.90 ? 332 TRP A CD1 1 -ATOM 2562 C CD2 . TRP A 1 354 ? -47.668 -9.628 -7.090 1.00 61.37 ? 332 TRP A CD2 1 -ATOM 2563 N NE1 . TRP A 1 354 ? -46.337 -11.426 -6.863 1.00 56.83 ? 332 TRP A NE1 1 -ATOM 2564 C CE2 . TRP A 1 354 ? -46.362 -10.127 -7.305 1.00 60.62 ? 332 TRP A CE2 1 -ATOM 2565 C CE3 . TRP A 1 354 ? -47.958 -8.316 -7.463 1.00 56.65 ? 332 TRP A CE3 1 -ATOM 2566 C CZ2 . TRP A 1 354 ? -45.352 -9.349 -7.857 1.00 53.48 ? 332 TRP A CZ2 1 -ATOM 2567 C CZ3 . TRP A 1 354 ? -46.952 -7.545 -8.014 1.00 56.45 ? 332 TRP A CZ3 1 -ATOM 2568 C CH2 . TRP A 1 354 ? -45.666 -8.062 -8.204 1.00 60.10 ? 332 TRP A CH2 1 -ATOM 2569 N N . LYS A 1 355 ? -49.611 -8.266 -4.148 1.00 69.29 ? 333 LYS A N 1 -ATOM 2570 C CA . LYS A 1 355 ? -48.839 -7.149 -3.595 1.00 67.90 ? 333 LYS A CA 1 -ATOM 2571 C C . LYS A 1 355 ? -48.904 -7.180 -2.069 1.00 68.34 ? 333 LYS A C 1 -ATOM 2572 O O . LYS A 1 355 ? -48.018 -6.664 -1.389 1.00 79.31 ? 333 LYS A O 1 -ATOM 2573 C CB . LYS A 1 355 ? -49.338 -5.802 -4.149 1.00 57.07 ? 333 LYS A CB 1 -ATOM 2574 C CG . LYS A 1 355 ? -48.322 -4.663 -4.055 1.00 66.52 ? 333 LYS A CG 1 -ATOM 2575 C CD . LYS A 1 355 ? -47.162 -4.831 -5.038 1.00 63.14 ? 333 LYS A CD 1 -ATOM 2576 C CE . LYS A 1 355 ? -46.093 -3.770 -4.813 1.00 62.98 ? 333 LYS A CE 1 -ATOM 2577 N NZ . LYS A 1 355 ? -44.943 -3.923 -5.754 1.00 79.92 ? 333 LYS A NZ 1 -ATOM 2578 N N . ALA A 1 356 ? -49.945 -7.815 -1.538 1.00 67.99 ? 334 ALA A N 1 -ATOM 2579 C CA . ALA A 1 356 ? -50.087 -8.004 -0.091 1.00 67.84 ? 334 ALA A CA 1 -ATOM 2580 C C . ALA A 1 356 ? -49.518 -9.346 0.386 1.00 74.68 ? 334 ALA A C 1 -ATOM 2581 O O . ALA A 1 356 ? -49.676 -9.704 1.549 1.00 77.87 ? 334 ALA A O 1 -ATOM 2582 C CB . ALA A 1 356 ? -51.555 -7.883 0.320 1.00 67.58 ? 334 ALA A CB 1 -ATOM 2583 N N . GLY A 1 357 ? -48.906 -10.105 -0.522 1.00 80.50 ? 335 GLY A N 1 -ATOM 2584 C CA . GLY A 1 357 ? -48.308 -11.391 -0.183 1.00 73.35 ? 335 GLY A CA 1 -ATOM 2585 C C . GLY A 1 357 ? -49.263 -12.480 0.283 1.00 73.02 ? 335 GLY A C 1 -ATOM 2586 O O . GLY A 1 357 ? -48.930 -13.240 1.192 1.00 74.52 ? 335 GLY A O 1 -ATOM 2587 N N . LYS A 1 358 ? -50.460 -12.538 -0.300 1.00 71.06 ? 336 LYS A N 1 -ATOM 2588 C CA . LYS A 1 358 ? -51.420 -13.592 0.035 1.00 72.04 ? 336 LYS A CA 1 -ATOM 2589 C C . LYS A 1 358 ? -51.864 -14.408 -1.184 1.00 78.70 ? 336 LYS A C 1 -ATOM 2590 O O . LYS A 1 358 ? -52.816 -15.192 -1.095 1.00 74.87 ? 336 LYS A O 1 -ATOM 2591 C CB . LYS A 1 358 ? -52.646 -13.000 0.728 1.00 73.88 ? 336 LYS A CB 1 -ATOM 2592 C CG . LYS A 1 358 ? -52.354 -12.430 2.117 1.00 78.22 ? 336 LYS A CG 1 -ATOM 2593 C CD . LYS A 1 358 ? -53.629 -11.907 2.786 1.00 86.74 ? 336 LYS A CD 1 -ATOM 2594 C CE . LYS A 1 358 ? -54.594 -13.050 3.181 1.00 91.90 ? 336 LYS A CE 1 -ATOM 2595 N NZ . LYS A 1 358 ? -54.084 -13.942 4.269 1.00 72.07 ? 336 LYS A NZ 1 -ATOM 2596 N N . ASP A 1 359 ? -51.184 -14.220 -2.316 1.00 73.14 ? 337 ASP A N 1 -ATOM 2597 C CA . ASP A 1 359 ? -51.469 -15.005 -3.516 1.00 75.60 ? 337 ASP A CA 1 -ATOM 2598 C C . ASP A 1 359 ? -50.723 -16.325 -3.446 1.00 77.48 ? 337 ASP A C 1 -ATOM 2599 O O . ASP A 1 359 ? -49.575 -16.427 -3.872 1.00 78.45 ? 337 ASP A O 1 -ATOM 2600 C CB . ASP A 1 359 ? -51.093 -14.229 -4.786 1.00 68.15 ? 337 ASP A CB 1 -ATOM 2601 C CG . ASP A 1 359 ? -51.398 -15.004 -6.070 1.00 74.19 ? 337 ASP A CG 1 -ATOM 2602 O OD1 . ASP A 1 359 ? -52.152 -16.001 -6.017 1.00 84.22 ? 337 ASP A OD1 1 -ATOM 2603 O OD2 . ASP A 1 359 ? -50.896 -14.601 -7.144 1.00 68.43 ? 337 ASP A OD2 1 -ATOM 2604 N N . ASN A 1 360 ? -51.391 -17.336 -2.906 1.00 79.40 ? 338 ASN A N 1 -ATOM 2605 C CA . ASN A 1 360 ? -50.764 -18.629 -2.696 1.00 80.06 ? 338 ASN A CA 1 -ATOM 2606 C C . ASN A 1 360 ? -51.074 -19.605 -3.821 1.00 79.33 ? 338 ASN A C 1 -ATOM 2607 O O . ASN A 1 360 ? -51.254 -20.803 -3.591 1.00 84.29 ? 338 ASN A O 1 -ATOM 2608 C CB . ASN A 1 360 ? -51.195 -19.208 -1.349 1.00 82.17 ? 338 ASN A CB 1 -ATOM 2609 C CG . ASN A 1 360 ? -50.700 -18.379 -0.176 1.00 85.89 ? 338 ASN A CG 1 -ATOM 2610 O OD1 . ASN A 1 360 ? -49.648 -17.739 -0.257 1.00 79.30 ? 338 ASN A OD1 1 -ATOM 2611 N ND2 . ASN A 1 360 ? -51.456 -18.385 0.923 1.00 79.35 ? 338 ASN A ND2 1 -ATOM 2612 N N . THR A 1 361 ? -51.130 -19.078 -5.041 1.00 75.36 ? 339 THR A N 1 -ATOM 2613 C CA . THR A 1 361 ? -51.322 -19.897 -6.230 1.00 71.26 ? 339 THR A CA 1 -ATOM 2614 C C . THR A 1 361 ? -50.258 -20.990 -6.344 1.00 79.56 ? 339 THR A C 1 -ATOM 2615 O O . THR A 1 361 ? -49.124 -20.829 -5.887 1.00 75.00 ? 339 THR A O 1 -ATOM 2616 C CB . THR A 1 361 ? -51.291 -19.049 -7.509 1.00 72.61 ? 339 THR A CB 1 -ATOM 2617 N N . VAL A 1 362 ? -50.634 -22.108 -6.953 1.00 79.60 ? 340 VAL A N 1 -ATOM 2618 C CA . VAL A 1 362 ? -49.702 -23.208 -7.141 1.00 72.31 ? 340 VAL A CA 1 -ATOM 2619 C C . VAL A 1 362 ? -49.607 -23.566 -8.626 1.00 65.31 ? 340 VAL A C 1 -ATOM 2620 O O . VAL A 1 362 ? -50.613 -23.767 -9.307 1.00 62.07 ? 340 VAL A O 1 -ATOM 2621 C CB . VAL A 1 362 ? -50.106 -24.436 -6.302 1.00 66.07 ? 340 VAL A CB 1 -ATOM 2622 C CG1 . VAL A 1 362 ? -49.303 -25.655 -6.721 1.00 54.72 ? 340 VAL A CG1 1 -ATOM 2623 C CG2 . VAL A 1 362 ? -49.889 -24.137 -4.830 1.00 64.66 ? 340 VAL A CG2 1 -ATOM 2624 N N . ILE A 1 363 ? -48.377 -23.613 -9.123 1.00 62.00 ? 341 ILE A N 1 -ATOM 2625 C CA . ILE A 1 363 ? -48.129 -23.851 -10.538 1.00 72.36 ? 341 ILE A CA 1 -ATOM 2626 C C . ILE A 1 363 ? -48.265 -25.332 -10.905 1.00 59.59 ? 341 ILE A C 1 -ATOM 2627 O O . ILE A 1 363 ? -47.782 -26.192 -10.178 1.00 67.15 ? 341 ILE A O 1 -ATOM 2628 C CB . ILE A 1 363 ? -46.719 -23.394 -10.938 1.00 59.35 ? 341 ILE A CB 1 -ATOM 2629 C CG1 . ILE A 1 363 ? -46.436 -21.978 -10.430 1.00 69.01 ? 341 ILE A CG1 1 -ATOM 2630 C CG2 . ILE A 1 363 ? -46.518 -23.563 -12.427 1.00 60.22 ? 341 ILE A CG2 1 -ATOM 2631 C CD1 . ILE A 1 363 ? -45.127 -21.387 -10.938 1.00 48.99 ? 341 ILE A CD1 1 -ATOM 2632 N N . ASP A 1 364 ? -48.925 -25.616 -12.024 1.00 56.89 ? 342 ASP A N 1 -ATOM 2633 C CA . ASP A 1 364 ? -48.965 -26.960 -12.597 1.00 65.07 ? 342 ASP A CA 1 -ATOM 2634 C C . ASP A 1 364 ? -48.142 -26.985 -13.879 1.00 56.03 ? 342 ASP A C 1 -ATOM 2635 O O . ASP A 1 364 ? -48.521 -26.390 -14.883 1.00 62.53 ? 342 ASP A O 1 -ATOM 2636 C CB . ASP A 1 364 ? -50.401 -27.420 -12.884 1.00 65.53 ? 342 ASP A CB 1 -ATOM 2637 C CG . ASP A 1 364 ? -50.454 -28.688 -13.763 1.00 73.18 ? 342 ASP A CG 1 -ATOM 2638 O OD1 . ASP A 1 364 ? -49.566 -29.571 -13.642 1.00 66.85 ? 342 ASP A OD1 1 -ATOM 2639 O OD2 . ASP A 1 364 ? -51.396 -28.800 -14.578 1.00 74.86 ? 342 ASP A OD2 1 -ATOM 2640 N N . HIS A 1 365 ? -47.026 -27.699 -13.851 1.00 59.66 ? 343 HIS A N 1 -ATOM 2641 C CA . HIS A 1 365 ? -46.061 -27.611 -14.931 1.00 53.78 ? 343 HIS A CA 1 -ATOM 2642 C C . HIS A 1 365 ? -46.547 -28.213 -16.260 1.00 54.67 ? 343 HIS A C 1 -ATOM 2643 O O . HIS A 1 365 ? -45.954 -27.947 -17.311 1.00 55.71 ? 343 HIS A O 1 -ATOM 2644 C CB . HIS A 1 365 ? -44.750 -28.272 -14.485 1.00 59.73 ? 343 HIS A CB 1 -ATOM 2645 C CG . HIS A 1 365 ? -44.166 -27.669 -13.241 1.00 59.54 ? 343 HIS A CG 1 -ATOM 2646 N ND1 . HIS A 1 365 ? -43.712 -26.367 -13.190 1.00 61.28 ? 343 HIS A ND1 1 -ATOM 2647 C CD2 . HIS A 1 365 ? -43.937 -28.193 -12.012 1.00 65.91 ? 343 HIS A CD2 1 -ATOM 2648 C CE1 . HIS A 1 365 ? -43.243 -26.112 -11.979 1.00 60.28 ? 343 HIS A CE1 1 -ATOM 2649 N NE2 . HIS A 1 365 ? -43.358 -27.205 -11.247 1.00 52.39 ? 343 HIS A NE2 1 -ATOM 2650 N N . THR A 1 366 ? -47.640 -28.978 -16.234 1.00 55.30 ? 344 THR A N 1 -ATOM 2651 C CA . THR A 1 366 ? -48.142 -29.618 -17.458 1.00 56.97 ? 344 THR A CA 1 -ATOM 2652 C C . THR A 1 366 ? -49.111 -28.753 -18.271 1.00 54.12 ? 344 THR A C 1 -ATOM 2653 O O . THR A 1 366 ? -49.294 -28.992 -19.466 1.00 57.70 ? 344 THR A O 1 -ATOM 2654 C CB . THR A 1 366 ? -48.865 -30.965 -17.158 1.00 69.91 ? 344 THR A CB 1 -ATOM 2655 O OG1 . THR A 1 366 ? -50.092 -30.729 -16.453 1.00 57.10 ? 344 THR A OG1 1 -ATOM 2656 C CG2 . THR A 1 366 ? -47.963 -31.907 -16.358 1.00 63.98 ? 344 THR A CG2 1 -ATOM 2657 N N . LEU A 1 367 ? -49.747 -27.770 -17.638 1.00 50.45 ? 345 LEU A N 1 -ATOM 2658 C CA . LEU A 1 367 ? -50.703 -26.910 -18.363 1.00 60.03 ? 345 LEU A CA 1 -ATOM 2659 C C . LEU A 1 367 ? -50.023 -26.058 -19.445 1.00 61.16 ? 345 LEU A C 1 -ATOM 2660 O O . LEU A 1 367 ? -49.040 -25.373 -19.151 1.00 66.83 ? 345 LEU A O 1 -ATOM 2661 C CB . LEU A 1 367 ? -51.453 -25.994 -17.382 1.00 48.86 ? 345 LEU A CB 1 -ATOM 2662 N N . PRO A 1 368 ? -50.551 -26.079 -20.690 1.00 52.76 ? 346 PRO A N 1 -ATOM 2663 C CA . PRO A 1 368 ? -50.042 -25.218 -21.766 1.00 62.49 ? 346 PRO A CA 1 -ATOM 2664 C C . PRO A 1 368 ? -50.480 -23.755 -21.596 1.00 66.68 ? 346 PRO A C 1 -ATOM 2665 O O . PRO A 1 368 ? -51.437 -23.485 -20.853 1.00 58.37 ? 346 PRO A O 1 -ATOM 2666 C CB . PRO A 1 368 ? -50.671 -25.820 -23.021 1.00 59.22 ? 346 PRO A CB 1 -ATOM 2667 C CG . PRO A 1 368 ? -51.951 -26.374 -22.537 1.00 51.28 ? 346 PRO A CG 1 -ATOM 2668 C CD . PRO A 1 368 ? -51.709 -26.869 -21.137 1.00 56.17 ? 346 PRO A CD 1 -ATOM 2669 N N . THR A 1 369 ? -49.781 -22.840 -22.272 1.00 59.19 ? 347 THR A N 1 -ATOM 2670 C CA . THR A 1 369 ? -50.073 -21.400 -22.186 1.00 66.75 ? 347 THR A CA 1 -ATOM 2671 C C . THR A 1 369 ? -51.445 -21.116 -22.804 1.00 62.09 ? 347 THR A C 1 -ATOM 2672 O O . THR A 1 369 ? -51.807 -21.722 -23.812 1.00 64.63 ? 347 THR A O 1 -ATOM 2673 C CB . THR A 1 369 ? -48.944 -20.522 -22.883 1.00 53.47 ? 347 THR A CB 1 -ATOM 2674 O OG1 . THR A 1 369 ? -49.057 -19.144 -22.492 1.00 70.20 ? 347 THR A OG1 1 -ATOM 2675 C CG2 . THR A 1 369 ? -48.973 -20.643 -24.407 1.00 55.42 ? 347 THR A CG2 1 -ATOM 2676 N N . PRO A 1 370 ? -52.210 -20.194 -22.196 1.00 68.97 ? 348 PRO A N 1 -ATOM 2677 C CA . PRO A 1 370 ? -53.574 -19.861 -22.639 1.00 68.15 ? 348 PRO A CA 1 -ATOM 2678 C C . PRO A 1 370 ? -53.700 -19.476 -24.120 1.00 74.11 ? 348 PRO A C 1 -ATOM 2679 O O . PRO A 1 370 ? -54.778 -19.679 -24.687 1.00 80.98 ? 348 PRO A O 1 -ATOM 2680 C CB . PRO A 1 370 ? -53.954 -18.676 -21.742 1.00 57.53 ? 348 PRO A CB 1 -ATOM 2681 C CG . PRO A 1 370 ? -52.667 -18.195 -21.146 1.00 72.44 ? 348 PRO A CG 1 -ATOM 2682 C CD . PRO A 1 370 ? -51.815 -19.410 -21.014 1.00 63.90 ? 348 PRO A CD 1 -ATOM 2683 N N . GLU A 1 371 ? -52.628 -18.970 -24.737 1.00 77.30 ? 349 GLU A N 1 -ATOM 2684 C CA . GLU A 1 371 ? -52.648 -18.544 -26.152 1.00 84.54 ? 349 GLU A CA 1 -ATOM 2685 C C . GLU A 1 371 ? -52.849 -19.714 -27.131 1.00 82.83 ? 349 GLU A C 1 -ATOM 2686 O O . GLU A 1 371 ? -52.888 -19.533 -28.357 1.00 74.24 ? 349 GLU A O 1 -ATOM 2687 C CB . GLU A 1 371 ? -51.352 -17.794 -26.501 1.00 75.34 ? 349 GLU A CB 1 -ATOM 2688 N N . ALA A 1 372 ? -52.971 -20.913 -26.572 1.00 85.13 ? 350 ALA A N 1 -ATOM 2689 C CA . ALA A 1 372 ? -53.182 -22.125 -27.344 1.00 89.12 ? 350 ALA A CA 1 -ATOM 2690 C C . ALA A 1 372 ? -54.657 -22.500 -27.312 1.00 87.27 ? 350 ALA A C 1 -ATOM 2691 O O . ALA A 1 372 ? -55.014 -23.667 -27.438 1.00 94.75 ? 350 ALA A O 1 -ATOM 2692 C CB . ALA A 1 372 ? -52.316 -23.265 -26.801 1.00 80.45 ? 350 ALA A CB 1 -ATOM 2693 N N . ALA A 1 373 ? -55.510 -21.498 -27.126 1.00 94.50 ? 351 ALA A N 1 -ATOM 2694 C CA . ALA A 1 373 ? -56.958 -21.682 -27.167 1.00 90.99 ? 351 ALA A CA 1 -ATOM 2695 C C . ALA A 1 373 ? -57.414 -21.866 -28.612 1.00 96.36 ? 351 ALA A C 1 -ATOM 2696 O O . ALA A 1 373 ? -58.550 -22.264 -28.870 1.00 106.97 ? 351 ALA A O 1 -ATOM 2697 C CB . ALA A 1 373 ? -57.672 -20.498 -26.521 1.00 98.33 ? 351 ALA A CB 1 -ATOM 2698 N N . GLU A 1 374 ? -56.527 -21.535 -29.549 1.00 98.92 ? 352 GLU A N 1 -ATOM 2699 C CA . GLU A 1 374 ? -56.777 -21.742 -30.972 1.00 97.15 ? 352 GLU A CA 1 -ATOM 2700 C C . GLU A 1 374 ? -56.713 -23.232 -31.304 1.00 94.50 ? 352 GLU A C 1 -ATOM 2701 O O . GLU A 1 374 ? -57.300 -23.680 -32.287 1.00 91.68 ? 352 GLU A O 1 -ATOM 2702 C CB . GLU A 1 374 ? -55.747 -20.994 -31.817 1.00 84.68 ? 352 GLU A CB 1 -ATOM 2703 C CG . GLU A 1 374 ? -55.221 -19.738 -31.180 1.00 87.96 ? 352 GLU A CG 1 -ATOM 2704 C CD . GLU A 1 374 ? -54.535 -18.836 -32.176 1.00 104.57 ? 352 GLU A CD 1 -ATOM 2705 O OE1 . GLU A 1 374 ? -54.994 -18.774 -33.337 1.00 108.66 ? 352 GLU A OE1 1 -ATOM 2706 O OE2 . GLU A 1 374 ? -53.517 -18.210 -31.801 1.00 102.94 ? 352 GLU A OE2 1 -ATOM 2707 N N . PHE A 1 375 ? -55.998 -23.990 -30.471 1.00 94.49 ? 353 PHE A N 1 -ATOM 2708 C CA . PHE A 1 375 ? -55.697 -25.399 -30.744 1.00 96.61 ? 353 PHE A CA 1 -ATOM 2709 C C . PHE A 1 375 ? -56.429 -26.342 -29.780 1.00 94.65 ? 353 PHE A C 1 -ATOM 2710 O O . PHE A 1 375 ? -55.976 -26.602 -28.659 1.00 83.45 ? 353 PHE A O 1 -ATOM 2711 C CB . PHE A 1 375 ? -54.180 -25.645 -30.674 1.00 88.53 ? 353 PHE A CB 1 -ATOM 2712 C CG . PHE A 1 375 ? -53.373 -24.671 -31.488 1.00 87.08 ? 353 PHE A CG 1 -ATOM 2713 C CD1 . PHE A 1 375 ? -53.293 -24.793 -32.868 1.00 85.42 ? 353 PHE A CD1 1 -ATOM 2714 C CD2 . PHE A 1 375 ? -52.712 -23.618 -30.872 1.00 84.15 ? 353 PHE A CD2 1 -ATOM 2715 C CE1 . PHE A 1 375 ? -52.557 -23.882 -33.625 1.00 86.20 ? 353 PHE A CE1 1 -ATOM 2716 C CE2 . PHE A 1 375 ? -51.976 -22.705 -31.620 1.00 82.68 ? 353 PHE A CE2 1 -ATOM 2717 C CZ . PHE A 1 375 ? -51.900 -22.840 -33.000 1.00 80.74 ? 353 PHE A CZ 1 -ATOM 2718 N N . LEU B 2 30 ? -29.618 -35.578 5.063 1.00 90.21 ? 8 LEU B N 1 -ATOM 2719 C CA . LEU B 2 30 ? -28.543 -34.685 4.621 1.00 111.52 ? 8 LEU B CA 1 -ATOM 2720 C C . LEU B 2 30 ? -27.749 -35.280 3.440 1.00 99.48 ? 8 LEU B C 1 -ATOM 2721 O O . LEU B 2 30 ? -27.804 -34.799 2.300 1.00 81.65 ? 8 LEU B O 1 -ATOM 2722 C CB . LEU B 2 30 ? -27.583 -34.385 5.791 1.00 95.95 ? 8 LEU B CB 1 -ATOM 2723 C CG . LEU B 2 30 ? -27.471 -32.975 6.395 1.00 95.33 ? 8 LEU B CG 1 -ATOM 2724 C CD1 . LEU B 2 30 ? -26.460 -32.943 7.552 1.00 79.80 ? 8 LEU B CD1 1 -ATOM 2725 C CD2 . LEU B 2 30 ? -27.132 -31.911 5.348 1.00 95.82 ? 8 LEU B CD2 1 -ATOM 2726 N N . ASN B 2 31 ? -27.057 -36.372 3.740 1.00 95.24 ? 9 ASN B N 1 -ATOM 2727 C CA . ASN B 2 31 ? -25.942 -36.886 2.953 1.00 87.11 ? 9 ASN B CA 1 -ATOM 2728 C C . ASN B 2 31 ? -26.357 -37.755 1.748 1.00 80.38 ? 9 ASN B C 1 -ATOM 2729 O O . ASN B 2 31 ? -27.089 -38.735 1.920 1.00 76.10 ? 9 ASN B O 1 -ATOM 2730 C CB . ASN B 2 31 ? -25.015 -37.672 3.902 1.00 87.62 ? 9 ASN B CB 1 -ATOM 2731 C CG . ASN B 2 31 ? -23.809 -38.271 3.205 1.00 84.25 ? 9 ASN B CG 1 -ATOM 2732 O OD1 . ASN B 2 31 ? -23.420 -37.839 2.122 1.00 81.61 ? 9 ASN B OD1 1 -ATOM 2733 N ND2 . ASN B 2 31 ? -23.201 -39.273 3.837 1.00 89.75 ? 9 ASN B ND2 1 -ATOM 2734 N N . PRO B 2 32 ? -25.936 -37.358 0.520 1.00 81.40 ? 10 PRO B N 1 -ATOM 2735 C CA . PRO B 2 32 ? -26.218 -38.060 -0.752 1.00 75.04 ? 10 PRO B CA 1 -ATOM 2736 C C . PRO B 2 32 ? -25.528 -39.422 -0.795 1.00 82.13 ? 10 PRO B C 1 -ATOM 2737 O O . PRO B 2 32 ? -25.874 -40.301 -1.608 1.00 78.39 ? 10 PRO B O 1 -ATOM 2738 C CB . PRO B 2 32 ? -25.647 -37.131 -1.824 1.00 66.16 ? 10 PRO B CB 1 -ATOM 2739 C CG . PRO B 2 32 ? -25.695 -35.788 -1.195 1.00 73.43 ? 10 PRO B CG 1 -ATOM 2740 C CD . PRO B 2 32 ? -25.364 -36.022 0.269 1.00 80.88 ? 10 PRO B CD 1 -ATOM 2741 N N . SER B 2 33 ? -24.543 -39.582 0.086 1.00 83.02 ? 11 SER B N 1 -ATOM 2742 C CA . SER B 2 33 ? -23.865 -40.858 0.242 1.00 79.44 ? 11 SER B CA 1 -ATOM 2743 C C . SER B 2 33 ? -24.779 -41.777 1.047 1.00 77.21 ? 11 SER B C 1 -ATOM 2744 O O . SER B 2 33 ? -24.474 -42.956 1.224 1.00 85.70 ? 11 SER B O 1 -ATOM 2745 C CB . SER B 2 33 ? -22.515 -40.679 0.935 1.00 70.98 ? 11 SER B CB 1 -ATOM 2746 O OG . SER B 2 33 ? -21.736 -39.709 0.258 1.00 71.26 ? 11 SER B OG 1 -ATOM 2747 N N . ALA B 2 34 ? -25.901 -41.231 1.530 1.00 72.19 ? 12 ALA B N 1 -ATOM 2748 C CA . ALA B 2 34 ? -26.946 -42.043 2.151 1.00 61.86 ? 12 ALA B CA 1 -ATOM 2749 C C . ALA B 2 34 ? -28.308 -41.740 1.530 1.00 55.45 ? 12 ALA B C 1 -ATOM 2750 O O . ALA B 2 34 ? -29.325 -41.821 2.219 1.00 59.69 ? 12 ALA B O 1 -ATOM 2751 C CB . ALA B 2 34 ? -26.992 -41.804 3.652 1.00 61.55 ? 12 ALA B CB 1 -ATOM 2752 N N . ARG B 2 35 ? -28.312 -41.388 0.234 1.00 65.96 ? 13 ARG B N 1 -ATOM 2753 C CA . ARG B 2 35 ? -29.535 -41.197 -0.569 1.00 55.88 ? 13 ARG B CA 1 -ATOM 2754 C C . ARG B 2 35 ? -29.761 -42.468 -1.382 1.00 52.54 ? 13 ARG B C 1 -ATOM 2755 O O . ARG B 2 35 ? -28.797 -43.162 -1.715 1.00 52.27 ? 13 ARG B O 1 -ATOM 2756 C CB . ARG B 2 35 ? -29.444 -39.982 -1.507 1.00 46.90 ? 13 ARG B CB 1 -ATOM 2757 C CG . ARG B 2 35 ? -29.638 -38.584 -0.857 1.00 64.41 ? 13 ARG B CG 1 -ATOM 2758 C CD . ARG B 2 35 ? -31.103 -38.120 -0.759 1.00 63.04 ? 13 ARG B CD 1 -ATOM 2759 N NE . ARG B 2 35 ? -31.647 -37.696 -2.053 1.00 68.93 ? 13 ARG B NE 1 -ATOM 2760 C CZ . ARG B 2 35 ? -31.572 -36.457 -2.539 1.00 68.36 ? 13 ARG B CZ 1 -ATOM 2761 N NH1 . ARG B 2 35 ? -30.972 -35.488 -1.843 1.00 59.87 ? 13 ARG B NH1 1 -ATOM 2762 N NH2 . ARG B 2 35 ? -32.092 -36.181 -3.733 1.00 65.21 ? 13 ARG B NH2 1 -ATOM 2763 N N . ILE B 2 36 ? -31.008 -42.759 -1.739 1.00 42.41 ? 14 ILE B N 1 -ATOM 2764 C CA . ILE B 2 36 ? -31.300 -43.995 -2.462 1.00 47.64 ? 14 ILE B CA 1 -ATOM 2765 C C . ILE B 2 36 ? -30.788 -43.977 -3.888 1.00 46.30 ? 14 ILE B C 1 -ATOM 2766 O O . ILE B 2 36 ? -31.203 -43.143 -4.693 1.00 53.37 ? 14 ILE B O 1 -ATOM 2767 C CB . ILE B 2 36 ? -32.794 -44.273 -2.490 1.00 44.71 ? 14 ILE B CB 1 -ATOM 2768 C CG1 . ILE B 2 36 ? -33.287 -44.524 -1.067 1.00 43.39 ? 14 ILE B CG1 1 -ATOM 2769 C CG2 . ILE B 2 36 ? -33.098 -45.435 -3.446 1.00 41.31 ? 14 ILE B CG2 1 -ATOM 2770 C CD1 . ILE B 2 36 ? -34.798 -44.576 -0.933 1.00 42.65 ? 14 ILE B CD1 1 -ATOM 2771 N N . MET B 2 37 ? -29.866 -44.884 -4.193 1.00 43.52 ? 15 MET B N 1 -ATOM 2772 C CA . MET B 2 37 ? -29.301 -45.003 -5.540 1.00 39.40 ? 15 MET B CA 1 -ATOM 2773 C C . MET B 2 37 ? -30.037 -46.014 -6.410 1.00 44.65 ? 15 MET B C 1 -ATOM 2774 O O . MET B 2 37 ? -30.665 -46.947 -5.893 1.00 43.46 ? 15 MET B O 1 -ATOM 2775 C CB . MET B 2 37 ? -27.846 -45.404 -5.445 1.00 54.38 ? 15 MET B CB 1 -ATOM 2776 C CG . MET B 2 37 ? -27.064 -44.505 -4.521 1.00 57.59 ? 15 MET B CG 1 -ATOM 2777 S SD . MET B 2 37 ? -25.413 -45.155 -4.315 1.00 56.55 ? 15 MET B SD 1 -ATOM 2778 C CE . MET B 2 37 ? -24.693 -43.954 -3.167 1.00 66.19 ? 15 MET B CE 1 -ATOM 2779 N N . THR B 2 38 ? -29.919 -45.830 -7.723 1.00 40.54 ? 16 THR B N 1 -ATOM 2780 C CA . THR B 2 38 ? -30.541 -46.682 -8.731 1.00 51.67 ? 16 THR B CA 1 -ATOM 2781 C C . THR B 2 38 ? -29.419 -47.224 -9.618 1.00 49.61 ? 16 THR B C 1 -ATOM 2782 O O . THR B 2 38 ? -28.504 -46.482 -9.950 1.00 54.29 ? 16 THR B O 1 -ATOM 2783 C CB . THR B 2 38 ? -31.574 -45.904 -9.606 1.00 50.81 ? 16 THR B CB 1 -ATOM 2784 O OG1 . THR B 2 38 ? -32.477 -45.159 -8.775 1.00 54.20 ? 16 THR B OG1 1 -ATOM 2785 C CG2 . THR B 2 38 ? -32.359 -46.854 -10.528 1.00 39.98 ? 16 THR B CG2 1 -ATOM 2786 N N . PHE B 2 39 ? -29.467 -48.504 -9.983 1.00 50.65 ? 17 PHE B N 1 -ATOM 2787 C CA . PHE B 2 39 ? -28.388 -49.128 -10.781 1.00 42.13 ? 17 PHE B CA 1 -ATOM 2788 C C . PHE B 2 39 ? -28.938 -49.810 -12.020 1.00 44.34 ? 17 PHE B C 1 -ATOM 2789 O O . PHE B 2 39 ? -30.050 -50.340 -12.002 1.00 48.07 ? 17 PHE B O 1 -ATOM 2790 C CB . PHE B 2 39 ? -27.614 -50.144 -9.957 1.00 41.87 ? 17 PHE B CB 1 -ATOM 2791 C CG . PHE B 2 39 ? -26.898 -49.552 -8.791 1.00 47.96 ? 17 PHE B CG 1 -ATOM 2792 C CD1 . PHE B 2 39 ? -25.606 -49.077 -8.918 1.00 41.44 ? 17 PHE B CD1 1 -ATOM 2793 C CD2 . PHE B 2 39 ? -27.509 -49.476 -7.565 1.00 46.79 ? 17 PHE B CD2 1 -ATOM 2794 C CE1 . PHE B 2 39 ? -24.949 -48.540 -7.841 1.00 41.44 ? 17 PHE B CE1 1 -ATOM 2795 C CE2 . PHE B 2 39 ? -26.848 -48.916 -6.485 1.00 45.48 ? 17 PHE B CE2 1 -ATOM 2796 C CZ . PHE B 2 39 ? -25.570 -48.453 -6.631 1.00 42.88 ? 17 PHE B CZ 1 -ATOM 2797 N N . TYR B 2 40 ? -28.160 -49.822 -13.092 1.00 49.33 ? 18 TYR B N 1 -ATOM 2798 C CA . TYR B 2 40 ? -28.616 -50.413 -14.346 1.00 48.75 ? 18 TYR B CA 1 -ATOM 2799 C C . TYR B 2 40 ? -27.649 -51.471 -14.879 1.00 50.59 ? 18 TYR B C 1 -ATOM 2800 O O . TYR B 2 40 ? -26.930 -51.227 -15.838 1.00 53.56 ? 18 TYR B O 1 -ATOM 2801 C CB . TYR B 2 40 ? -28.807 -49.306 -15.383 1.00 51.93 ? 18 TYR B CB 1 -ATOM 2802 C CG . TYR B 2 40 ? -29.882 -48.297 -15.014 1.00 59.20 ? 18 TYR B CG 1 -ATOM 2803 C CD1 . TYR B 2 40 ? -29.632 -47.283 -14.089 1.00 49.69 ? 18 TYR B CD1 1 -ATOM 2804 C CD2 . TYR B 2 40 ? -31.127 -48.329 -15.627 1.00 54.91 ? 18 TYR B CD2 1 -ATOM 2805 C CE1 . TYR B 2 40 ? -30.611 -46.352 -13.755 1.00 55.70 ? 18 TYR B CE1 1 -ATOM 2806 C CE2 . TYR B 2 40 ? -32.104 -47.401 -15.304 1.00 54.31 ? 18 TYR B CE2 1 -ATOM 2807 C CZ . TYR B 2 40 ? -31.841 -46.423 -14.369 1.00 55.15 ? 18 TYR B CZ 1 -ATOM 2808 O OH . TYR B 2 40 ? -32.819 -45.516 -14.064 1.00 68.01 ? 18 TYR B OH 1 -ATOM 2809 N N . PRO B 2 41 ? -27.653 -52.673 -14.285 1.00 61.37 ? 19 PRO B N 1 -ATOM 2810 C CA . PRO B 2 41 ? -26.664 -53.658 -14.757 1.00 53.89 ? 19 PRO B CA 1 -ATOM 2811 C C . PRO B 2 41 ? -26.898 -54.115 -16.195 1.00 55.31 ? 19 PRO B C 1 -ATOM 2812 O O . PRO B 2 41 ? -28.041 -54.200 -16.648 1.00 57.46 ? 19 PRO B O 1 -ATOM 2813 C CB . PRO B 2 41 ? -26.838 -54.826 -13.777 1.00 55.92 ? 19 PRO B CB 1 -ATOM 2814 C CG . PRO B 2 41 ? -28.247 -54.699 -13.260 1.00 55.58 ? 19 PRO B CG 1 -ATOM 2815 C CD . PRO B 2 41 ? -28.509 -53.201 -13.206 1.00 59.27 ? 19 PRO B CD 1 -ATOM 2816 N N . THR B 2 42 ? -25.807 -54.383 -16.910 1.00 65.13 ? 20 THR B N 1 -ATOM 2817 C CA . THR B 2 42 ? -25.860 -55.042 -18.216 1.00 65.70 ? 20 THR B CA 1 -ATOM 2818 C C . THR B 2 42 ? -26.106 -56.535 -18.044 1.00 67.20 ? 20 THR B C 1 -ATOM 2819 O O . THR B 2 42 ? -26.116 -57.037 -16.916 1.00 65.27 ? 20 THR B O 1 -ATOM 2820 C CB . THR B 2 42 ? -24.564 -54.877 -18.992 1.00 71.25 ? 20 THR B CB 1 -ATOM 2821 O OG1 . THR B 2 42 ? -23.534 -55.608 -18.316 1.00 66.41 ? 20 THR B OG1 1 -ATOM 2822 C CG2 . THR B 2 42 ? -24.176 -53.399 -19.100 1.00 69.85 ? 20 THR B CG2 1 -ATOM 2823 N N . MET B 2 43 ? -26.285 -57.244 -19.157 1.00 74.57 ? 21 MET B N 1 -ATOM 2824 C CA . MET B 2 43 ? -26.582 -58.676 -19.099 1.00 71.65 ? 21 MET B CA 1 -ATOM 2825 C C . MET B 2 43 ? -25.457 -59.475 -18.436 1.00 66.96 ? 21 MET B C 1 -ATOM 2826 O O . MET B 2 43 ? -25.727 -60.393 -17.670 1.00 68.28 ? 21 MET B O 1 -ATOM 2827 C CB . MET B 2 43 ? -26.853 -59.224 -20.499 1.00 63.33 ? 21 MET B CB 1 -ATOM 2828 N N . GLU B 2 44 ? -24.204 -59.087 -18.660 1.00 67.34 ? 22 GLU B N 1 -ATOM 2829 C CA . GLU B 2 44 ? -23.096 -59.841 -18.076 1.00 71.45 ? 22 GLU B CA 1 -ATOM 2830 C C . GLU B 2 44 ? -23.003 -59.632 -16.561 1.00 79.02 ? 22 GLU B C 1 -ATOM 2831 O O . GLU B 2 44 ? -22.626 -60.552 -15.825 1.00 75.59 ? 22 GLU B O 1 -ATOM 2832 C CB . GLU B 2 44 ? -21.771 -59.470 -18.746 1.00 59.49 ? 22 GLU B CB 1 -ATOM 2833 N N . GLU B 2 45 ? -23.373 -58.440 -16.090 1.00 74.27 ? 23 GLU B N 1 -ATOM 2834 C CA . GLU B 2 45 ? -23.293 -58.139 -14.660 1.00 67.22 ? 23 GLU B CA 1 -ATOM 2835 C C . GLU B 2 45 ? -24.444 -58.764 -13.911 1.00 60.72 ? 23 GLU B C 1 -ATOM 2836 O O . GLU B 2 45 ? -24.331 -59.105 -12.736 1.00 74.02 ? 23 GLU B O 1 -ATOM 2837 C CB . GLU B 2 45 ? -23.318 -56.639 -14.414 1.00 66.01 ? 23 GLU B CB 1 -ATOM 2838 C CG . GLU B 2 45 ? -22.241 -55.861 -15.106 1.00 70.42 ? 23 GLU B CG 1 -ATOM 2839 C CD . GLU B 2 45 ? -22.522 -54.365 -15.056 1.00 86.47 ? 23 GLU B CD 1 -ATOM 2840 O OE1 . GLU B 2 45 ? -23.468 -53.922 -15.749 1.00 83.31 ? 23 GLU B OE1 1 -ATOM 2841 O OE2 . GLU B 2 45 ? -21.802 -53.640 -14.323 1.00 86.31 ? 23 GLU B OE2 1 -ATOM 2842 N N . PHE B 2 46 ? -25.558 -58.915 -14.605 1.00 62.77 ? 24 PHE B N 1 -ATOM 2843 C CA . PHE B 2 46 ? -26.780 -59.418 -14.002 1.00 60.31 ? 24 PHE B CA 1 -ATOM 2844 C C . PHE B 2 46 ? -26.650 -60.916 -13.676 1.00 71.98 ? 24 PHE B C 1 -ATOM 2845 O O . PHE B 2 46 ? -27.324 -61.421 -12.778 1.00 68.44 ? 24 PHE B O 1 -ATOM 2846 C CB . PHE B 2 46 ? -27.950 -59.179 -14.950 1.00 58.70 ? 24 PHE B CB 1 -ATOM 2847 C CG . PHE B 2 46 ? -29.299 -59.171 -14.289 1.00 53.71 ? 24 PHE B CG 1 -ATOM 2848 C CD1 . PHE B 2 46 ? -29.618 -58.205 -13.354 1.00 49.77 ? 24 PHE B CD1 1 -ATOM 2849 C CD2 . PHE B 2 46 ? -30.261 -60.099 -14.645 1.00 54.95 ? 24 PHE B CD2 1 -ATOM 2850 C CE1 . PHE B 2 46 ? -30.861 -58.166 -12.769 1.00 49.87 ? 24 PHE B CE1 1 -ATOM 2851 C CE2 . PHE B 2 46 ? -31.513 -60.078 -14.062 1.00 58.11 ? 24 PHE B CE2 1 -ATOM 2852 C CZ . PHE B 2 46 ? -31.818 -59.105 -13.120 1.00 57.26 ? 24 PHE B CZ 1 -ATOM 2853 N N . ARG B 2 47 ? -25.778 -61.616 -14.401 1.00 73.55 ? 25 ARG B N 1 -ATOM 2854 C CA . ARG B 2 47 ? -25.712 -63.073 -14.318 1.00 59.94 ? 25 ARG B CA 1 -ATOM 2855 C C . ARG B 2 47 ? -25.343 -63.522 -12.911 1.00 61.04 ? 25 ARG B C 1 -ATOM 2856 O O . ARG B 2 47 ? -26.039 -64.342 -12.323 1.00 71.92 ? 25 ARG B O 1 -ATOM 2857 C CB . ARG B 2 47 ? -24.705 -63.623 -15.336 1.00 55.71 ? 25 ARG B CB 1 -ATOM 2858 N N . ASN B 2 48 ? -24.284 -62.959 -12.340 1.00 63.50 ? 26 ASN B N 1 -ATOM 2859 C CA . ASN B 2 48 ? -23.921 -63.318 -10.970 1.00 58.36 ? 26 ASN B CA 1 -ATOM 2860 C C . ASN B 2 48 ? -24.562 -62.373 -9.946 1.00 64.64 ? 26 ASN B C 1 -ATOM 2861 O O . ASN B 2 48 ? -24.229 -61.182 -9.898 1.00 67.07 ? 26 ASN B O 1 -ATOM 2862 C CB . ASN B 2 48 ? -22.407 -63.327 -10.795 1.00 54.62 ? 26 ASN B CB 1 -ATOM 2863 C CG . ASN B 2 48 ? -21.977 -63.922 -9.466 1.00 68.57 ? 26 ASN B CG 1 -ATOM 2864 O OD1 . ASN B 2 48 ? -22.801 -64.139 -8.574 1.00 69.30 ? 26 ASN B OD1 1 -ATOM 2865 N ND2 . ASN B 2 48 ? -20.678 -64.202 -9.329 1.00 68.04 ? 26 ASN B ND2 1 -ATOM 2866 N N . PHE B 2 49 ? -25.470 -62.916 -9.132 1.00 58.68 ? 27 PHE B N 1 -ATOM 2867 C CA . PHE B 2 49 ? -26.256 -62.129 -8.180 1.00 63.62 ? 27 PHE B CA 1 -ATOM 2868 C C . PHE B 2 49 ? -25.441 -61.609 -7.024 1.00 69.09 ? 27 PHE B C 1 -ATOM 2869 O O . PHE B 2 49 ? -25.480 -60.414 -6.727 1.00 65.53 ? 27 PHE B O 1 -ATOM 2870 C CB . PHE B 2 49 ? -27.416 -62.942 -7.613 1.00 60.32 ? 27 PHE B CB 1 -ATOM 2871 C CG . PHE B 2 49 ? -28.135 -62.268 -6.458 1.00 57.70 ? 27 PHE B CG 1 -ATOM 2872 C CD1 . PHE B 2 49 ? -29.040 -61.232 -6.680 1.00 62.38 ? 27 PHE B CD1 1 -ATOM 2873 C CD2 . PHE B 2 49 ? -27.911 -62.678 -5.148 1.00 61.01 ? 27 PHE B CD2 1 -ATOM 2874 C CE1 . PHE B 2 49 ? -29.712 -60.611 -5.606 1.00 55.66 ? 27 PHE B CE1 1 -ATOM 2875 C CE2 . PHE B 2 49 ? -28.578 -62.072 -4.075 1.00 51.66 ? 27 PHE B CE2 1 -ATOM 2876 C CZ . PHE B 2 49 ? -29.476 -61.032 -4.307 1.00 53.98 ? 27 PHE B CZ 1 -ATOM 2877 N N . SER B 2 50 ? -24.734 -62.512 -6.350 1.00 55.77 ? 28 SER B N 1 -ATOM 2878 C CA . SER B 2 50 ? -23.995 -62.132 -5.157 1.00 59.97 ? 28 SER B CA 1 -ATOM 2879 C C . SER B 2 50 ? -22.952 -61.076 -5.504 1.00 60.17 ? 28 SER B C 1 -ATOM 2880 O O . SER B 2 50 ? -22.682 -60.191 -4.706 1.00 64.36 ? 28 SER B O 1 -ATOM 2881 C CB . SER B 2 50 ? -23.327 -63.350 -4.499 1.00 63.52 ? 28 SER B CB 1 -ATOM 2882 O OG . SER B 2 50 ? -22.189 -63.783 -5.229 1.00 71.05 ? 28 SER B OG 1 -ATOM 2883 N N . ARG B 2 51 ? -22.395 -61.167 -6.710 1.00 52.02 ? 29 ARG B N 1 -ATOM 2884 C CA . ARG B 2 51 ? -21.342 -60.270 -7.150 1.00 61.63 ? 29 ARG B CA 1 -ATOM 2885 C C . ARG B 2 51 ? -21.873 -58.844 -7.421 1.00 60.69 ? 29 ARG B C 1 -ATOM 2886 O O . ARG B 2 51 ? -21.171 -57.861 -7.200 1.00 55.97 ? 29 ARG B O 1 -ATOM 2887 C CB . ARG B 2 51 ? -20.668 -60.839 -8.405 1.00 51.13 ? 29 ARG B CB 1 -ATOM 2888 C CG . ARG B 2 51 ? -19.362 -60.141 -8.822 1.00 69.85 ? 29 ARG B CG 1 -ATOM 2889 C CD . ARG B 2 51 ? -18.947 -60.466 -10.277 1.00 62.96 ? 29 ARG B CD 1 -ATOM 2890 N NE . ARG B 2 51 ? -17.608 -59.960 -10.602 1.00 54.29 ? 29 ARG B NE 1 -ATOM 2891 N N . TYR B 2 52 ? -23.102 -58.720 -7.904 1.00 56.22 ? 30 TYR B N 1 -ATOM 2892 C CA . TYR B 2 52 ? -23.621 -57.382 -8.117 1.00 61.96 ? 30 TYR B CA 1 -ATOM 2893 C C . TYR B 2 52 ? -23.935 -56.703 -6.794 1.00 61.45 ? 30 TYR B C 1 -ATOM 2894 O O . TYR B 2 52 ? -23.632 -55.525 -6.613 1.00 63.00 ? 30 TYR B O 1 -ATOM 2895 C CB . TYR B 2 52 ? -24.847 -57.401 -9.013 1.00 52.56 ? 30 TYR B CB 1 -ATOM 2896 C CG . TYR B 2 52 ? -25.073 -56.053 -9.654 1.00 65.67 ? 30 TYR B CG 1 -ATOM 2897 C CD1 . TYR B 2 52 ? -24.186 -55.560 -10.609 1.00 64.06 ? 30 TYR B CD1 1 -ATOM 2898 C CD2 . TYR B 2 52 ? -26.161 -55.265 -9.298 1.00 57.04 ? 30 TYR B CD2 1 -ATOM 2899 C CE1 . TYR B 2 52 ? -24.382 -54.326 -11.195 1.00 62.95 ? 30 TYR B CE1 1 -ATOM 2900 C CE2 . TYR B 2 52 ? -26.371 -54.034 -9.880 1.00 59.49 ? 30 TYR B CE2 1 -ATOM 2901 C CZ . TYR B 2 52 ? -25.483 -53.564 -10.827 1.00 67.17 ? 30 TYR B CZ 1 -ATOM 2902 O OH . TYR B 2 52 ? -25.702 -52.332 -11.402 1.00 57.98 ? 30 TYR B OH 1 -ATOM 2903 N N . ILE B 2 53 ? -24.477 -57.466 -5.850 1.00 56.10 ? 31 ILE B N 1 -ATOM 2904 C CA . ILE B 2 53 ? -24.768 -56.944 -4.519 1.00 51.61 ? 31 ILE B CA 1 -ATOM 2905 C C . ILE B 2 53 ? -23.490 -56.406 -3.878 1.00 63.39 ? 31 ILE B C 1 -ATOM 2906 O O . ILE B 2 53 ? -23.511 -55.343 -3.241 1.00 50.90 ? 31 ILE B O 1 -ATOM 2907 C CB . ILE B 2 53 ? -25.425 -58.020 -3.630 1.00 46.17 ? 31 ILE B CB 1 -ATOM 2908 C CG1 . ILE B 2 53 ? -26.787 -58.391 -4.211 1.00 57.78 ? 31 ILE B CG1 1 -ATOM 2909 C CG2 . ILE B 2 53 ? -25.620 -57.538 -2.203 1.00 47.11 ? 31 ILE B CG2 1 -ATOM 2910 C CD1 . ILE B 2 53 ? -27.737 -57.208 -4.391 1.00 51.00 ? 31 ILE B CD1 1 -ATOM 2911 N N . ALA B 2 54 ? -22.381 -57.127 -4.065 1.00 54.08 ? 32 ALA B N 1 -ATOM 2912 C CA . ALA B 2 54 ? -21.082 -56.676 -3.573 1.00 52.11 ? 32 ALA B CA 1 -ATOM 2913 C C . ALA B 2 54 ? -20.629 -55.392 -4.276 1.00 55.29 ? 32 ALA B C 1 -ATOM 2914 O O . ALA B 2 54 ? -20.057 -54.514 -3.645 1.00 60.26 ? 32 ALA B O 1 -ATOM 2915 C CB . ALA B 2 54 ? -20.043 -57.764 -3.751 1.00 66.11 ? 32 ALA B CB 1 -ATOM 2916 N N . TYR B 2 55 ? -20.856 -55.310 -5.586 1.00 51.43 ? 33 TYR B N 1 -ATOM 2917 C CA . TYR B 2 55 ? -20.573 -54.106 -6.370 1.00 55.41 ? 33 TYR B CA 1 -ATOM 2918 C C . TYR B 2 55 ? -21.335 -52.843 -5.920 1.00 61.09 ? 33 TYR B C 1 -ATOM 2919 O O . TYR B 2 55 ? -20.733 -51.780 -5.771 1.00 61.29 ? 33 TYR B O 1 -ATOM 2920 C CB . TYR B 2 55 ? -20.867 -54.362 -7.838 1.00 57.74 ? 33 TYR B CB 1 -ATOM 2921 C CG . TYR B 2 55 ? -20.934 -53.098 -8.657 1.00 63.49 ? 33 TYR B CG 1 -ATOM 2922 C CD1 . TYR B 2 55 ? -19.782 -52.380 -8.949 1.00 67.30 ? 33 TYR B CD1 1 -ATOM 2923 C CD2 . TYR B 2 55 ? -22.141 -52.642 -9.172 1.00 56.37 ? 33 TYR B CD2 1 -ATOM 2924 C CE1 . TYR B 2 55 ? -19.830 -51.221 -9.701 1.00 64.81 ? 33 TYR B CE1 1 -ATOM 2925 C CE2 . TYR B 2 55 ? -22.198 -51.493 -9.935 1.00 65.17 ? 33 TYR B CE2 1 -ATOM 2926 C CZ . TYR B 2 55 ? -21.032 -50.781 -10.194 1.00 67.34 ? 33 TYR B CZ 1 -ATOM 2927 O OH . TYR B 2 55 ? -21.073 -49.628 -10.950 1.00 63.92 ? 33 TYR B OH 1 -ATOM 2928 N N . ILE B 2 56 ? -22.650 -52.935 -5.745 1.00 50.31 ? 34 ILE B N 1 -ATOM 2929 C CA . ILE B 2 56 ? -23.400 -51.751 -5.323 1.00 55.48 ? 34 ILE B CA 1 -ATOM 2930 C C . ILE B 2 56 ? -23.064 -51.363 -3.879 1.00 57.60 ? 34 ILE B C 1 -ATOM 2931 O O . ILE B 2 56 ? -23.215 -50.205 -3.496 1.00 60.68 ? 34 ILE B O 1 -ATOM 2932 C CB . ILE B 2 56 ? -24.946 -51.939 -5.475 1.00 56.88 ? 34 ILE B CB 1 -ATOM 2933 C CG1 . ILE B 2 56 ? -25.498 -52.992 -4.509 1.00 50.41 ? 34 ILE B CG1 1 -ATOM 2934 C CG2 . ILE B 2 56 ? -25.334 -52.295 -6.894 1.00 45.17 ? 34 ILE B CG2 1 -ATOM 2935 C CD1 . ILE B 2 56 ? -26.989 -53.241 -4.709 1.00 49.77 ? 34 ILE B CD1 1 -ATOM 2936 N N . GLU B 2 57 ? -22.547 -52.288 -3.080 1.00 54.13 ? 35 GLU B N 1 -ATOM 2937 C CA . GLU B 2 57 ? -22.142 -51.903 -1.727 1.00 49.58 ? 35 GLU B CA 1 -ATOM 2938 C C . GLU B 2 57 ? -20.818 -51.128 -1.702 1.00 55.24 ? 35 GLU B C 1 -ATOM 2939 O O . GLU B 2 57 ? -20.539 -50.384 -0.758 1.00 53.03 ? 35 GLU B O 1 -ATOM 2940 C CB . GLU B 2 57 ? -22.043 -53.118 -0.826 1.00 46.50 ? 35 GLU B CB 1 -ATOM 2941 C CG . GLU B 2 57 ? -23.388 -53.701 -0.456 1.00 57.24 ? 35 GLU B CG 1 -ATOM 2942 C CD . GLU B 2 57 ? -23.329 -54.416 0.870 1.00 58.75 ? 35 GLU B CD 1 -ATOM 2943 O OE1 . GLU B 2 57 ? -22.197 -54.708 1.303 1.00 65.54 ? 35 GLU B OE1 1 -ATOM 2944 O OE2 . GLU B 2 57 ? -24.393 -54.665 1.488 1.00 59.12 ? 35 GLU B OE2 1 -ATOM 2945 N N . SER B 2 58 ? -19.991 -51.332 -2.716 1.00 50.54 ? 36 SER B N 1 -ATOM 2946 C CA . SER B 2 58 ? -18.782 -50.542 -2.869 1.00 61.77 ? 36 SER B CA 1 -ATOM 2947 C C . SER B 2 58 ? -19.137 -49.160 -3.425 1.00 61.31 ? 36 SER B C 1 -ATOM 2948 O O . SER B 2 58 ? -18.356 -48.212 -3.313 1.00 64.05 ? 36 SER B O 1 -ATOM 2949 C CB . SER B 2 58 ? -17.773 -51.262 -3.768 1.00 50.68 ? 36 SER B CB 1 -ATOM 2950 O OG . SER B 2 58 ? -18.342 -51.549 -5.029 1.00 62.48 ? 36 SER B OG 1 -ATOM 2951 N N . GLN B 2 59 ? -20.321 -49.055 -4.020 1.00 59.91 ? 37 GLN B N 1 -ATOM 2952 C CA . GLN B 2 59 ? -20.844 -47.765 -4.475 1.00 60.40 ? 37 GLN B CA 1 -ATOM 2953 C C . GLN B 2 59 ? -21.616 -47.025 -3.370 1.00 53.10 ? 37 GLN B C 1 -ATOM 2954 O O . GLN B 2 59 ? -22.172 -45.959 -3.616 1.00 56.86 ? 37 GLN B O 1 -ATOM 2955 C CB . GLN B 2 59 ? -21.758 -47.956 -5.692 1.00 58.80 ? 37 GLN B CB 1 -ATOM 2956 C CG . GLN B 2 59 ? -21.177 -48.825 -6.774 1.00 63.28 ? 37 GLN B CG 1 -ATOM 2957 C CD . GLN B 2 59 ? -19.923 -48.246 -7.359 1.00 75.57 ? 37 GLN B CD 1 -ATOM 2958 O OE1 . GLN B 2 59 ? -19.942 -47.157 -7.944 1.00 65.53 ? 37 GLN B OE1 1 -ATOM 2959 N NE2 . GLN B 2 59 ? -18.807 -48.952 -7.180 1.00 74.15 ? 37 GLN B NE2 1 -ATOM 2960 N N . GLY B 2 60 ? -21.666 -47.611 -2.172 1.00 57.38 ? 38 GLY B N 1 -ATOM 2961 C CA . GLY B 2 60 ? -22.356 -47.038 -1.022 1.00 49.11 ? 38 GLY B CA 1 -ATOM 2962 C C . GLY B 2 60 ? -23.876 -47.191 -0.963 1.00 45.98 ? 38 GLY B C 1 -ATOM 2963 O O . GLY B 2 60 ? -24.534 -46.621 -0.088 1.00 43.40 ? 38 GLY B O 1 -ATOM 2964 N N . ALA B 2 61 ? -24.430 -48.000 -1.857 1.00 45.79 ? 39 ALA B N 1 -ATOM 2965 C CA . ALA B 2 61 ? -25.863 -48.284 -1.873 1.00 41.97 ? 39 ALA B CA 1 -ATOM 2966 C C . ALA B 2 61 ? -26.413 -48.714 -0.514 1.00 41.86 ? 39 ALA B C 1 -ATOM 2967 O O . ALA B 2 61 ? -27.583 -48.491 -0.215 1.00 52.47 ? 39 ALA B O 1 -ATOM 2968 C CB . ALA B 2 61 ? -26.173 -49.361 -2.914 1.00 55.59 ? 39 ALA B CB 1 -ATOM 2969 N N . HIS B 2 62 ? -25.592 -49.362 0.299 1.00 45.26 ? 40 HIS B N 1 -ATOM 2970 C CA . HIS B 2 62 ? -26.065 -49.906 1.570 1.00 50.34 ? 40 HIS B CA 1 -ATOM 2971 C C . HIS B 2 62 ? -26.291 -48.822 2.629 1.00 51.09 ? 40 HIS B C 1 -ATOM 2972 O O . HIS B 2 62 ? -26.948 -49.055 3.649 1.00 53.32 ? 40 HIS B O 1 -ATOM 2973 C CB . HIS B 2 62 ? -25.066 -50.928 2.104 1.00 50.77 ? 40 HIS B CB 1 -ATOM 2974 C CG . HIS B 2 62 ? -23.705 -50.356 2.346 1.00 49.03 ? 40 HIS B CG 1 -ATOM 2975 N ND1 . HIS B 2 62 ? -22.865 -49.985 1.323 1.00 48.17 ? 40 HIS B ND1 1 -ATOM 2976 C CD2 . HIS B 2 62 ? -23.044 -50.077 3.495 1.00 60.50 ? 40 HIS B CD2 1 -ATOM 2977 C CE1 . HIS B 2 62 ? -21.734 -49.522 1.828 1.00 49.84 ? 40 HIS B CE1 1 -ATOM 2978 N NE2 . HIS B 2 62 ? -21.820 -49.561 3.145 1.00 49.35 ? 40 HIS B NE2 1 -ATOM 2979 N N . ARG B 2 63 ? -25.708 -47.649 2.416 1.00 50.06 ? 41 ARG B N 1 -ATOM 2980 C CA . ARG B 2 63 ? -25.794 -46.598 3.422 1.00 51.93 ? 41 ARG B CA 1 -ATOM 2981 C C . ARG B 2 63 ? -27.181 -45.950 3.503 1.00 47.21 ? 41 ARG B C 1 -ATOM 2982 O O . ARG B 2 63 ? -27.580 -45.453 4.559 1.00 48.37 ? 41 ARG B O 1 -ATOM 2983 C CB . ARG B 2 63 ? -24.738 -45.547 3.135 1.00 49.58 ? 41 ARG B CB 1 -ATOM 2984 C CG . ARG B 2 63 ? -23.335 -46.107 3.241 1.00 61.10 ? 41 ARG B CG 1 -ATOM 2985 C CD . ARG B 2 63 ? -22.323 -45.013 3.107 1.00 62.01 ? 41 ARG B CD 1 -ATOM 2986 N NE . ARG B 2 63 ? -22.497 -44.041 4.173 1.00 71.08 ? 41 ARG B NE 1 -ATOM 2987 C CZ . ARG B 2 63 ? -21.841 -42.893 4.229 1.00 64.21 ? 41 ARG B CZ 1 -ATOM 2988 N NH1 . ARG B 2 63 ? -20.982 -42.596 3.266 1.00 58.71 ? 41 ARG B NH1 1 -ATOM 2989 N NH2 . ARG B 2 63 ? -22.057 -42.048 5.233 1.00 63.82 ? 41 ARG B NH2 1 -ATOM 2990 N N . ALA B 2 64 ? -27.926 -46.006 2.403 1.00 27.71 ? 42 ALA B N 1 -ATOM 2991 C CA . ALA B 2 64 ? -29.275 -45.454 2.380 1.00 46.31 ? 42 ALA B CA 1 -ATOM 2992 C C . ALA B 2 64 ? -30.252 -46.454 2.968 1.00 47.99 ? 42 ALA B C 1 -ATOM 2993 O O . ALA B 2 64 ? -31.386 -46.091 3.292 1.00 34.29 ? 42 ALA B O 1 -ATOM 2994 C CB . ALA B 2 64 ? -29.687 -45.091 0.968 1.00 40.26 ? 42 ALA B CB 1 -ATOM 2995 N N . GLY B 2 65 ? -29.819 -47.718 3.064 1.00 43.66 ? 43 GLY B N 1 -ATOM 2996 C CA . GLY B 2 65 ? -30.644 -48.784 3.619 1.00 42.74 ? 43 GLY B CA 1 -ATOM 2997 C C . GLY B 2 65 ? -31.497 -49.466 2.564 1.00 44.59 ? 43 GLY B C 1 -ATOM 2998 O O . GLY B 2 65 ? -32.089 -50.523 2.809 1.00 42.17 ? 43 GLY B O 1 -ATOM 2999 N N . LEU B 2 66 ? -31.520 -48.862 1.379 1.00 38.60 ? 44 LEU B N 1 -ATOM 3000 C CA . LEU B 2 66 ? -32.404 -49.256 0.303 1.00 32.62 ? 44 LEU B CA 1 -ATOM 3001 C C . LEU B 2 66 ? -31.845 -48.802 -1.037 1.00 46.86 ? 44 LEU B C 1 -ATOM 3002 O O . LEU B 2 66 ? -31.327 -47.687 -1.162 1.00 45.20 ? 44 LEU B O 1 -ATOM 3003 C CB . LEU B 2 66 ? -33.779 -48.665 0.539 1.00 36.47 ? 44 LEU B CB 1 -ATOM 3004 C CG . LEU B 2 66 ? -34.905 -49.088 -0.381 1.00 39.79 ? 44 LEU B CG 1 -ATOM 3005 C CD1 . LEU B 2 66 ? -35.190 -50.575 -0.228 1.00 48.16 ? 44 LEU B CD1 1 -ATOM 3006 C CD2 . LEU B 2 66 ? -36.137 -48.260 -0.011 1.00 44.92 ? 44 LEU B CD2 1 -ATOM 3007 N N . ALA B 2 67 ? -31.915 -49.683 -2.030 1.00 47.79 ? 45 ALA B N 1 -ATOM 3008 C CA . ALA B 2 67 ? -31.415 -49.398 -3.370 1.00 35.14 ? 45 ALA B CA 1 -ATOM 3009 C C . ALA B 2 67 ? -32.330 -49.989 -4.417 1.00 40.21 ? 45 ALA B C 1 -ATOM 3010 O O . ALA B 2 67 ? -33.023 -50.962 -4.151 1.00 52.00 ? 45 ALA B O 1 -ATOM 3011 C CB . ALA B 2 67 ? -29.986 -49.940 -3.535 1.00 34.55 ? 45 ALA B CB 1 -ATOM 3012 N N . LYS B 2 68 ? -32.370 -49.385 -5.597 1.00 45.26 ? 46 LYS B N 1 -ATOM 3013 C CA . LYS B 2 68 ? -33.146 -49.939 -6.705 1.00 43.43 ? 46 LYS B CA 1 -ATOM 3014 C C . LYS B 2 68 ? -32.275 -50.475 -7.835 1.00 43.81 ? 46 LYS B C 1 -ATOM 3015 O O . LYS B 2 68 ? -31.232 -49.908 -8.149 1.00 49.67 ? 46 LYS B O 1 -ATOM 3016 C CB . LYS B 2 68 ? -34.123 -48.904 -7.258 1.00 35.67 ? 46 LYS B CB 1 -ATOM 3017 C CG . LYS B 2 68 ? -34.801 -49.360 -8.525 1.00 39.30 ? 46 LYS B CG 1 -ATOM 3018 C CD . LYS B 2 68 ? -35.478 -48.211 -9.289 1.00 46.16 ? 46 LYS B CD 1 -ATOM 3019 C CE . LYS B 2 68 ? -36.589 -47.610 -8.469 1.00 34.96 ? 46 LYS B CE 1 -ATOM 3020 N NZ . LYS B 2 68 ? -37.419 -46.639 -9.266 1.00 43.58 ? 46 LYS B NZ 1 -ATOM 3021 N N . VAL B 2 69 ? -32.702 -51.591 -8.419 1.00 47.78 ? 47 VAL B N 1 -ATOM 3022 C CA . VAL B 2 69 ? -32.011 -52.223 -9.529 1.00 40.44 ? 47 VAL B CA 1 -ATOM 3023 C C . VAL B 2 69 ? -32.940 -52.500 -10.706 1.00 51.80 ? 47 VAL B C 1 -ATOM 3024 O O . VAL B 2 69 ? -33.970 -53.181 -10.575 1.00 52.75 ? 47 VAL B O 1 -ATOM 3025 C CB . VAL B 2 69 ? -31.373 -53.537 -9.083 1.00 47.21 ? 47 VAL B CB 1 -ATOM 3026 C CG1 . VAL B 2 69 ? -30.919 -54.335 -10.269 1.00 45.28 ? 47 VAL B CG1 1 -ATOM 3027 C CG2 . VAL B 2 69 ? -30.234 -53.260 -8.134 1.00 46.30 ? 47 VAL B CG2 1 -ATOM 3028 N N . VAL B 2 70 ? -32.567 -51.959 -11.859 1.00 51.66 ? 48 VAL B N 1 -ATOM 3029 C CA . VAL B 2 70 ? -33.332 -52.116 -13.086 1.00 52.14 ? 48 VAL B CA 1 -ATOM 3030 C C . VAL B 2 70 ? -32.630 -53.134 -13.980 1.00 48.74 ? 48 VAL B C 1 -ATOM 3031 O O . VAL B 2 70 ? -31.479 -52.942 -14.397 1.00 51.58 ? 48 VAL B O 1 -ATOM 3032 C CB . VAL B 2 70 ? -33.521 -50.765 -13.838 1.00 49.13 ? 48 VAL B CB 1 -ATOM 3033 C CG1 . VAL B 2 70 ? -34.539 -50.927 -14.943 1.00 51.27 ? 48 VAL B CG1 1 -ATOM 3034 C CG2 . VAL B 2 70 ? -33.988 -49.689 -12.871 1.00 44.96 ? 48 VAL B CG2 1 -ATOM 3035 N N . PRO B 2 71 ? -33.309 -54.253 -14.232 1.00 59.14 ? 49 PRO B N 1 -ATOM 3036 C CA . PRO B 2 71 ? -32.732 -55.351 -15.019 1.00 64.65 ? 49 PRO B CA 1 -ATOM 3037 C C . PRO B 2 71 ? -32.638 -54.992 -16.506 1.00 69.72 ? 49 PRO B C 1 -ATOM 3038 O O . PRO B 2 71 ? -33.359 -54.099 -16.969 1.00 69.55 ? 49 PRO B O 1 -ATOM 3039 C CB . PRO B 2 71 ? -33.703 -56.514 -14.772 1.00 50.10 ? 49 PRO B CB 1 -ATOM 3040 C CG . PRO B 2 71 ? -35.010 -55.838 -14.436 1.00 53.83 ? 49 PRO B CG 1 -ATOM 3041 C CD . PRO B 2 71 ? -34.659 -54.558 -13.725 1.00 51.75 ? 49 PRO B CD 1 -ATOM 3042 N N . PRO B 2 72 ? -31.760 -55.685 -17.251 1.00 71.80 ? 50 PRO B N 1 -ATOM 3043 C CA . PRO B 2 72 ? -31.600 -55.432 -18.688 1.00 66.51 ? 50 PRO B CA 1 -ATOM 3044 C C . PRO B 2 72 ? -32.913 -55.598 -19.447 1.00 70.02 ? 50 PRO B C 1 -ATOM 3045 O O . PRO B 2 72 ? -33.817 -56.275 -18.958 1.00 71.38 ? 50 PRO B O 1 -ATOM 3046 C CB . PRO B 2 72 ? -30.579 -56.494 -19.117 1.00 74.23 ? 50 PRO B CB 1 -ATOM 3047 C CG . PRO B 2 72 ? -29.867 -56.885 -17.849 1.00 68.49 ? 50 PRO B CG 1 -ATOM 3048 C CD . PRO B 2 72 ? -30.896 -56.786 -16.782 1.00 66.72 ? 50 PRO B CD 1 -ATOM 3049 N N . LYS B 2 73 ? -33.044 -54.944 -20.600 1.00 82.44 ? 51 LYS B N 1 -ATOM 3050 C CA . LYS B 2 73 ? -34.265 -55.068 -21.395 1.00 72.75 ? 51 LYS B CA 1 -ATOM 3051 C C . LYS B 2 73 ? -34.404 -56.498 -21.935 1.00 80.92 ? 51 LYS B C 1 -ATOM 3052 O O . LYS B 2 73 ? -35.509 -56.955 -22.253 1.00 80.95 ? 51 LYS B O 1 -ATOM 3053 C CB . LYS B 2 73 ? -34.266 -54.054 -22.536 1.00 61.64 ? 51 LYS B CB 1 -ATOM 3054 N N . GLU B 2 74 ? -33.273 -57.201 -22.011 1.00 77.91 ? 52 GLU B N 1 -ATOM 3055 C CA . GLU B 2 74 ? -33.219 -58.582 -22.493 1.00 73.33 ? 52 GLU B CA 1 -ATOM 3056 C C . GLU B 2 74 ? -33.760 -59.617 -21.498 1.00 84.67 ? 52 GLU B C 1 -ATOM 3057 O O . GLU B 2 74 ? -33.811 -60.809 -21.808 1.00 87.55 ? 52 GLU B O 1 -ATOM 3058 C CB . GLU B 2 74 ? -31.780 -58.954 -22.858 1.00 75.60 ? 52 GLU B CB 1 -ATOM 3059 N N . TRP B 2 75 ? -34.135 -59.175 -20.301 1.00 83.16 ? 53 TRP B N 1 -ATOM 3060 C CA . TRP B 2 75 ? -34.509 -60.100 -19.234 1.00 76.71 ? 53 TRP B CA 1 -ATOM 3061 C C . TRP B 2 75 ? -36.012 -60.063 -18.941 1.00 75.96 ? 53 TRP B C 1 -ATOM 3062 O O . TRP B 2 75 ? -36.636 -59.006 -18.945 1.00 74.26 ? 53 TRP B O 1 -ATOM 3063 C CB . TRP B 2 75 ? -33.708 -59.779 -17.967 1.00 74.62 ? 53 TRP B CB 1 -ATOM 3064 C CG . TRP B 2 75 ? -33.923 -60.729 -16.816 1.00 66.25 ? 53 TRP B CG 1 -ATOM 3065 C CD1 . TRP B 2 75 ? -33.311 -61.930 -16.620 1.00 74.64 ? 53 TRP B CD1 1 -ATOM 3066 C CD2 . TRP B 2 75 ? -34.790 -60.534 -15.691 1.00 68.67 ? 53 TRP B CD2 1 -ATOM 3067 N NE1 . TRP B 2 75 ? -33.750 -62.504 -15.448 1.00 74.98 ? 53 TRP B NE1 1 -ATOM 3068 C CE2 . TRP B 2 75 ? -34.664 -61.669 -14.863 1.00 69.49 ? 53 TRP B CE2 1 -ATOM 3069 C CE3 . TRP B 2 75 ? -35.665 -59.514 -15.307 1.00 60.99 ? 53 TRP B CE3 1 -ATOM 3070 C CZ2 . TRP B 2 75 ? -35.378 -61.812 -13.681 1.00 60.38 ? 53 TRP B CZ2 1 -ATOM 3071 C CZ3 . TRP B 2 75 ? -36.382 -59.666 -14.137 1.00 61.77 ? 53 TRP B CZ3 1 -ATOM 3072 C CH2 . TRP B 2 75 ? -36.229 -60.803 -13.336 1.00 61.76 ? 53 TRP B CH2 1 -ATOM 3073 N N . LYS B 2 76 ? -36.579 -61.234 -18.676 1.00 75.73 ? 54 LYS B N 1 -ATOM 3074 C CA . LYS B 2 76 ? -37.987 -61.375 -18.322 1.00 65.79 ? 54 LYS B CA 1 -ATOM 3075 C C . LYS B 2 76 ? -38.108 -62.659 -17.511 1.00 72.11 ? 54 LYS B C 1 -ATOM 3076 O O . LYS B 2 76 ? -37.565 -63.699 -17.900 1.00 79.82 ? 54 LYS B O 1 -ATOM 3077 C CB . LYS B 2 76 ? -38.880 -61.412 -19.565 1.00 62.84 ? 54 LYS B CB 1 -ATOM 3078 N N . PRO B 2 77 ? -38.781 -62.582 -16.357 1.00 71.17 ? 55 PRO B N 1 -ATOM 3079 C CA . PRO B 2 77 ? -38.831 -63.693 -15.398 1.00 65.31 ? 55 PRO B CA 1 -ATOM 3080 C C . PRO B 2 77 ? -39.923 -64.728 -15.709 1.00 68.12 ? 55 PRO B C 1 -ATOM 3081 O O . PRO B 2 77 ? -39.881 -65.833 -15.185 1.00 66.17 ? 55 PRO B O 1 -ATOM 3082 C CB . PRO B 2 77 ? -39.144 -62.978 -14.079 1.00 62.18 ? 55 PRO B CB 1 -ATOM 3083 C CG . PRO B 2 77 ? -40.016 -61.812 -14.517 1.00 49.08 ? 55 PRO B CG 1 -ATOM 3084 C CD . PRO B 2 77 ? -39.524 -61.398 -15.883 1.00 61.35 ? 55 PRO B CD 1 -ATOM 3085 N N . ARG B 2 78 ? -40.880 -64.352 -16.553 1.00 69.75 ? 56 ARG B N 1 -ATOM 3086 C CA . ARG B 2 78 ? -42.037 -65.175 -16.869 1.00 68.04 ? 56 ARG B CA 1 -ATOM 3087 C C . ARG B 2 78 ? -42.682 -64.719 -18.170 1.00 84.05 ? 56 ARG B C 1 -ATOM 3088 O O . ARG B 2 78 ? -42.717 -63.522 -18.457 1.00 81.46 ? 56 ARG B O 1 -ATOM 3089 C CB . ARG B 2 78 ? -43.068 -65.119 -15.740 1.00 73.88 ? 56 ARG B CB 1 -ATOM 3090 C CG . ARG B 2 78 ? -44.276 -66.020 -15.949 1.00 73.26 ? 56 ARG B CG 1 -ATOM 3091 C CD . ARG B 2 78 ? -45.361 -65.735 -14.941 1.00 66.50 ? 56 ARG B CD 1 -ATOM 3092 N NE . ARG B 2 78 ? -46.507 -66.615 -15.117 1.00 77.95 ? 56 ARG B NE 1 -ATOM 3093 C CZ . ARG B 2 78 ? -46.682 -67.763 -14.471 1.00 86.61 ? 56 ARG B CZ 1 -ATOM 3094 N NH1 . ARG B 2 78 ? -45.779 -68.176 -13.592 1.00 79.66 ? 56 ARG B NH1 1 -ATOM 3095 N NH2 . ARG B 2 78 ? -47.766 -68.495 -14.701 1.00 91.32 ? 56 ARG B NH2 1 -ATOM 3096 N N . ALA B 2 79 ? -43.208 -65.676 -18.935 1.00 88.84 ? 57 ALA B N 1 -ATOM 3097 C CA . ALA B 2 79 ? -43.845 -65.419 -20.227 1.00 79.28 ? 57 ALA B CA 1 -ATOM 3098 C C . ALA B 2 79 ? -44.944 -64.359 -20.167 1.00 75.94 ? 57 ALA B C 1 -ATOM 3099 O O . ALA B 2 79 ? -44.780 -63.272 -20.714 1.00 73.00 ? 57 ALA B O 1 -ATOM 3100 C CB . ALA B 2 79 ? -44.413 -66.714 -20.780 1.00 89.28 ? 57 ALA B CB 1 -ATOM 3101 N N . SER B 2 80 ? -46.065 -64.677 -19.520 1.00 77.85 ? 58 SER B N 1 -ATOM 3102 C CA . SER B 2 80 ? -47.115 -63.681 -19.287 1.00 69.48 ? 58 SER B CA 1 -ATOM 3103 C C . SER B 2 80 ? -47.830 -63.953 -17.974 1.00 71.35 ? 58 SER B C 1 -ATOM 3104 O O . SER B 2 80 ? -47.873 -65.083 -17.498 1.00 83.71 ? 58 SER B O 1 -ATOM 3105 C CB . SER B 2 80 ? -48.145 -63.659 -20.423 1.00 87.20 ? 58 SER B CB 1 -ATOM 3106 O OG . SER B 2 80 ? -49.253 -64.505 -20.131 1.00 91.79 ? 58 SER B OG 1 -ATOM 3107 N N . TYR B 2 81 ? -48.397 -62.910 -17.390 1.00 74.80 ? 59 TYR B N 1 -ATOM 3108 C CA . TYR B 2 81 ? -49.129 -63.068 -16.147 1.00 77.11 ? 59 TYR B CA 1 -ATOM 3109 C C . TYR B 2 81 ? -50.609 -63.168 -16.434 1.00 81.91 ? 59 TYR B C 1 -ATOM 3110 O O . TYR B 2 81 ? -51.395 -62.280 -16.087 1.00 89.99 ? 59 TYR B O 1 -ATOM 3111 C CB . TYR B 2 81 ? -48.824 -61.907 -15.200 1.00 67.14 ? 59 TYR B CB 1 -ATOM 3112 C CG . TYR B 2 81 ? -47.339 -61.719 -14.972 1.00 61.06 ? 59 TYR B CG 1 -ATOM 3113 C CD1 . TYR B 2 81 ? -46.650 -62.544 -14.097 1.00 56.43 ? 59 TYR B CD1 1 -ATOM 3114 C CD2 . TYR B 2 81 ? -46.630 -60.718 -15.623 1.00 67.41 ? 59 TYR B CD2 1 -ATOM 3115 C CE1 . TYR B 2 81 ? -45.291 -62.385 -13.878 1.00 65.75 ? 59 TYR B CE1 1 -ATOM 3116 C CE2 . TYR B 2 81 ? -45.269 -60.547 -15.407 1.00 60.58 ? 59 TYR B CE2 1 -ATOM 3117 C CZ . TYR B 2 81 ? -44.608 -61.381 -14.534 1.00 62.57 ? 59 TYR B CZ 1 -ATOM 3118 O OH . TYR B 2 81 ? -43.261 -61.222 -14.319 1.00 63.35 ? 59 TYR B OH 1 -ATOM 3119 N N . ASP B 2 82 ? -50.978 -64.266 -17.080 1.00 83.53 ? 60 ASP B N 1 -ATOM 3120 C CA . ASP B 2 82 ? -52.350 -64.470 -17.503 1.00 91.00 ? 60 ASP B CA 1 -ATOM 3121 C C . ASP B 2 82 ? -52.872 -65.783 -16.931 1.00 89.92 ? 60 ASP B C 1 -ATOM 3122 O O . ASP B 2 82 ? -54.053 -65.903 -16.588 1.00 86.83 ? 60 ASP B O 1 -ATOM 3123 C CB . ASP B 2 82 ? -52.439 -64.462 -19.035 1.00 78.25 ? 60 ASP B CB 1 -ATOM 3124 N N . ASP B 2 83 ? -51.967 -66.751 -16.791 1.00 88.51 ? 61 ASP B N 1 -ATOM 3125 C CA . ASP B 2 83 ? -52.323 -68.064 -16.254 1.00 92.38 ? 61 ASP B CA 1 -ATOM 3126 C C . ASP B 2 83 ? -52.789 -67.979 -14.803 1.00 87.67 ? 61 ASP B C 1 -ATOM 3127 O O . ASP B 2 83 ? -53.646 -68.739 -14.352 1.00 93.20 ? 61 ASP B O 1 -ATOM 3128 C CB . ASP B 2 83 ? -51.116 -69.009 -16.331 1.00 89.81 ? 61 ASP B CB 1 -ATOM 3129 C CG . ASP B 2 83 ? -50.316 -68.847 -17.617 1.00 100.29 ? 61 ASP B CG 1 -ATOM 3130 O OD1 . ASP B 2 83 ? -50.850 -69.177 -18.699 1.00 102.56 ? 61 ASP B OD1 1 -ATOM 3131 O OD2 . ASP B 2 83 ? -49.150 -68.387 -17.543 1.00 103.21 ? 61 ASP B OD2 1 -ATOM 3132 N N . ILE B 2 84 ? -52.244 -67.000 -14.098 1.00 90.15 ? 62 ILE B N 1 -ATOM 3133 C CA . ILE B 2 84 ? -52.278 -66.962 -12.643 1.00 80.75 ? 62 ILE B CA 1 -ATOM 3134 C C . ILE B 2 84 ? -53.653 -66.615 -12.082 1.00 70.49 ? 62 ILE B C 1 -ATOM 3135 O O . ILE B 2 84 ? -53.852 -66.663 -10.877 1.00 70.91 ? 62 ILE B O 1 -ATOM 3136 C CB . ILE B 2 84 ? -51.227 -65.982 -12.091 1.00 77.08 ? 62 ILE B CB 1 -ATOM 3137 C CG1 . ILE B 2 84 ? -51.683 -64.535 -12.250 1.00 78.96 ? 62 ILE B CG1 1 -ATOM 3138 C CG2 . ILE B 2 84 ? -49.891 -66.207 -12.788 1.00 83.58 ? 62 ILE B CG2 1 -ATOM 3139 C CD1 . ILE B 2 84 ? -50.780 -63.559 -11.537 1.00 76.67 ? 62 ILE B CD1 1 -ATOM 3140 N N . ASP B 2 85 ? -54.576 -66.198 -12.942 1.00 73.23 ? 63 ASP B N 1 -ATOM 3141 C CA . ASP B 2 85 ? -55.892 -65.735 -12.491 1.00 74.16 ? 63 ASP B CA 1 -ATOM 3142 C C . ASP B 2 85 ? -56.625 -66.727 -11.558 1.00 71.84 ? 63 ASP B C 1 -ATOM 3143 O O . ASP B 2 85 ? -57.513 -66.332 -10.804 1.00 72.34 ? 63 ASP B O 1 -ATOM 3144 C CB . ASP B 2 85 ? -56.767 -65.417 -13.710 1.00 72.67 ? 63 ASP B CB 1 -ATOM 3145 N N . ASP B 2 86 ? -56.246 -68.006 -11.613 1.00 74.76 ? 64 ASP B N 1 -ATOM 3146 C CA . ASP B 2 86 ? -56.864 -69.050 -10.791 1.00 81.35 ? 64 ASP B CA 1 -ATOM 3147 C C . ASP B 2 86 ? -56.098 -69.301 -9.476 1.00 83.51 ? 64 ASP B C 1 -ATOM 3148 O O . ASP B 2 86 ? -56.508 -70.126 -8.650 1.00 87.58 ? 64 ASP B O 1 -ATOM 3149 C CB . ASP B 2 86 ? -56.989 -70.355 -11.594 1.00 81.38 ? 64 ASP B CB 1 -ATOM 3150 N N . LEU B 2 87 ? -54.985 -68.594 -9.292 1.00 77.95 ? 65 LEU B N 1 -ATOM 3151 C CA . LEU B 2 87 ? -54.141 -68.745 -8.105 1.00 67.20 ? 65 LEU B CA 1 -ATOM 3152 C C . LEU B 2 87 ? -54.857 -68.280 -6.838 1.00 69.57 ? 65 LEU B C 1 -ATOM 3153 O O . LEU B 2 87 ? -55.582 -67.278 -6.857 1.00 66.81 ? 65 LEU B O 1 -ATOM 3154 C CB . LEU B 2 87 ? -52.840 -67.958 -8.301 1.00 74.17 ? 65 LEU B CB 1 -ATOM 3155 C CG . LEU B 2 87 ? -51.780 -67.824 -7.207 1.00 70.28 ? 65 LEU B CG 1 -ATOM 3156 C CD1 . LEU B 2 87 ? -51.223 -69.165 -6.809 1.00 77.37 ? 65 LEU B CD1 1 -ATOM 3157 C CD2 . LEU B 2 87 ? -50.659 -66.931 -7.691 1.00 69.92 ? 65 LEU B CD2 1 -ATOM 3158 N N . VAL B 2 88 ? -54.668 -69.023 -5.743 1.00 69.31 ? 66 VAL B N 1 -ATOM 3159 C CA . VAL B 2 88 ? -55.342 -68.717 -4.471 1.00 67.89 ? 66 VAL B CA 1 -ATOM 3160 C C . VAL B 2 88 ? -54.477 -67.996 -3.434 1.00 66.87 ? 66 VAL B C 1 -ATOM 3161 O O . VAL B 2 88 ? -53.324 -68.375 -3.192 1.00 66.31 ? 66 VAL B O 1 -ATOM 3162 C CB . VAL B 2 88 ? -55.888 -69.986 -3.775 1.00 70.48 ? 66 VAL B CB 1 -ATOM 3163 C CG1 . VAL B 2 88 ? -56.752 -69.576 -2.594 1.00 48.61 ? 66 VAL B CG1 1 -ATOM 3164 C CG2 . VAL B 2 88 ? -56.678 -70.867 -4.756 1.00 67.20 ? 66 VAL B CG2 1 -ATOM 3165 N N . ILE B 2 89 ? -55.083 -66.986 -2.812 1.00 56.57 ? 67 ILE B N 1 -ATOM 3166 C CA . ILE B 2 89 ? -54.566 -66.263 -1.657 1.00 54.62 ? 67 ILE B CA 1 -ATOM 3167 C C . ILE B 2 89 ? -55.175 -66.800 -0.373 1.00 57.15 ? 67 ILE B C 1 -ATOM 3168 O O . ILE B 2 89 ? -56.328 -66.475 -0.050 1.00 58.25 ? 67 ILE B O 1 -ATOM 3169 C CB . ILE B 2 89 ? -54.911 -64.757 -1.748 1.00 53.91 ? 67 ILE B CB 1 -ATOM 3170 C CG1 . ILE B 2 89 ? -54.403 -64.168 -3.062 1.00 47.59 ? 67 ILE B CG1 1 -ATOM 3171 C CG2 . ILE B 2 89 ? -54.373 -64.009 -0.542 1.00 54.64 ? 67 ILE B CG2 1 -ATOM 3172 C CD1 . ILE B 2 89 ? -55.031 -62.824 -3.399 1.00 59.94 ? 67 ILE B CD1 1 -ATOM 3173 N N . PRO B 2 90 ? -54.413 -67.609 0.378 1.00 52.06 ? 68 PRO B N 1 -ATOM 3174 C CA . PRO B 2 90 ? -55.016 -68.327 1.501 1.00 45.38 ? 68 PRO B CA 1 -ATOM 3175 C C . PRO B 2 90 ? -55.541 -67.406 2.603 1.00 66.41 ? 68 PRO B C 1 -ATOM 3176 O O . PRO B 2 90 ? -56.634 -67.656 3.131 1.00 67.19 ? 68 PRO B O 1 -ATOM 3177 C CB . PRO B 2 90 ? -53.861 -69.191 2.023 1.00 56.65 ? 68 PRO B CB 1 -ATOM 3178 C CG . PRO B 2 90 ? -52.837 -69.181 0.966 1.00 51.01 ? 68 PRO B CG 1 -ATOM 3179 C CD . PRO B 2 90 ? -52.976 -67.883 0.264 1.00 54.98 ? 68 PRO B CD 1 -ATOM 3180 N N . ALA B 2 91 ? -54.815 -66.335 2.926 1.00 62.78 ? 69 ALA B N 1 -ATOM 3181 C CA . ALA B 2 91 ? -55.186 -65.554 4.102 1.00 52.06 ? 69 ALA B CA 1 -ATOM 3182 C C . ALA B 2 91 ? -55.193 -64.043 3.865 1.00 67.09 ? 69 ALA B C 1 -ATOM 3183 O O . ALA B 2 91 ? -54.331 -63.316 4.369 1.00 57.17 ? 69 ALA B O 1 -ATOM 3184 C CB . ALA B 2 91 ? -54.254 -65.903 5.249 1.00 56.82 ? 69 ALA B CB 1 -ATOM 3185 N N . PRO B 2 92 ? -56.210 -63.552 3.148 1.00 64.97 ? 70 PRO B N 1 -ATOM 3186 C CA . PRO B 2 92 ? -56.322 -62.109 2.934 1.00 60.65 ? 70 PRO B CA 1 -ATOM 3187 C C . PRO B 2 92 ? -56.341 -61.357 4.254 1.00 57.29 ? 70 PRO B C 1 -ATOM 3188 O O . PRO B 2 92 ? -56.828 -61.875 5.248 1.00 62.75 ? 70 PRO B O 1 -ATOM 3189 C CB . PRO B 2 92 ? -57.656 -61.963 2.193 1.00 68.46 ? 70 PRO B CB 1 -ATOM 3190 C CG . PRO B 2 92 ? -57.858 -63.269 1.532 1.00 68.56 ? 70 PRO B CG 1 -ATOM 3191 C CD . PRO B 2 92 ? -57.275 -64.296 2.461 1.00 67.52 ? 70 PRO B CD 1 -ATOM 3192 N N . ILE B 2 93 ? -55.748 -60.168 4.262 1.00 63.72 ? 71 ILE B N 1 -ATOM 3193 C CA . ILE B 2 93 ? -55.597 -59.350 5.463 1.00 52.50 ? 71 ILE B CA 1 -ATOM 3194 C C . ILE B 2 93 ? -56.343 -58.030 5.280 1.00 55.62 ? 71 ILE B C 1 -ATOM 3195 O O . ILE B 2 93 ? -56.048 -57.285 4.348 1.00 56.31 ? 71 ILE B O 1 -ATOM 3196 C CB . ILE B 2 93 ? -54.095 -59.070 5.741 1.00 58.72 ? 71 ILE B CB 1 -ATOM 3197 C CG1 . ILE B 2 93 ? -53.395 -60.297 6.345 1.00 66.73 ? 71 ILE B CG1 1 -ATOM 3198 C CG2 . ILE B 2 93 ? -53.910 -57.847 6.610 1.00 56.08 ? 71 ILE B CG2 1 -ATOM 3199 C CD1 . ILE B 2 93 ? -53.887 -60.684 7.714 1.00 69.49 ? 71 ILE B CD1 1 -ATOM 3200 N N . GLN B 2 94 ? -57.307 -57.721 6.134 1.00 53.47 ? 72 GLN B N 1 -ATOM 3201 C CA . GLN B 2 94 ? -57.896 -56.396 6.058 1.00 51.09 ? 72 GLN B CA 1 -ATOM 3202 C C . GLN B 2 94 ? -57.142 -55.463 7.001 1.00 56.48 ? 72 GLN B C 1 -ATOM 3203 O O . GLN B 2 94 ? -57.141 -55.665 8.209 1.00 51.45 ? 72 GLN B O 1 -ATOM 3204 C CB . GLN B 2 94 ? -59.379 -56.391 6.410 1.00 52.73 ? 72 GLN B CB 1 -ATOM 3205 C CG . GLN B 2 94 ? -60.026 -55.015 6.144 1.00 53.76 ? 72 GLN B CG 1 -ATOM 3206 C CD . GLN B 2 94 ? -61.544 -55.010 6.273 1.00 69.36 ? 72 GLN B CD 1 -ATOM 3207 O OE1 . GLN B 2 94 ? -62.105 -55.690 7.139 1.00 66.03 ? 72 GLN B OE1 1 -ATOM 3208 N NE2 . GLN B 2 94 ? -62.220 -54.245 5.398 1.00 58.29 ? 72 GLN B NE2 1 -ATOM 3209 N N . GLN B 2 95 ? -56.508 -54.442 6.434 1.00 58.66 ? 73 GLN B N 1 -ATOM 3210 C CA . GLN B 2 95 ? -55.686 -53.495 7.184 1.00 50.30 ? 73 GLN B CA 1 -ATOM 3211 C C . GLN B 2 95 ? -56.505 -52.331 7.761 1.00 51.97 ? 73 GLN B C 1 -ATOM 3212 O O . GLN B 2 95 ? -56.836 -51.390 7.043 1.00 48.64 ? 73 GLN B O 1 -ATOM 3213 C CB . GLN B 2 95 ? -54.590 -52.936 6.275 1.00 49.70 ? 73 GLN B CB 1 -ATOM 3214 C CG . GLN B 2 95 ? -53.635 -53.979 5.688 1.00 55.44 ? 73 GLN B CG 1 -ATOM 3215 C CD . GLN B 2 95 ? -52.478 -53.341 4.930 1.00 42.29 ? 73 GLN B CD 1 -ATOM 3216 O OE1 . GLN B 2 95 ? -52.627 -52.270 4.359 1.00 56.43 ? 73 GLN B OE1 1 -ATOM 3217 N NE2 . GLN B 2 95 ? -51.333 -54.007 4.908 1.00 52.55 ? 73 GLN B NE2 1 -ATOM 3218 N N . LEU B 2 96 ? -56.811 -52.392 9.054 1.00 52.22 ? 74 LEU B N 1 -ATOM 3219 C CA . LEU B 2 96 ? -57.432 -51.279 9.770 1.00 48.94 ? 74 LEU B CA 1 -ATOM 3220 C C . LEU B 2 96 ? -56.357 -50.444 10.464 1.00 54.68 ? 74 LEU B C 1 -ATOM 3221 O O . LEU B 2 96 ? -55.429 -50.989 11.073 1.00 45.57 ? 74 LEU B O 1 -ATOM 3222 C CB . LEU B 2 96 ? -58.423 -51.771 10.819 1.00 53.69 ? 74 LEU B CB 1 -ATOM 3223 C CG . LEU B 2 96 ? -59.388 -52.910 10.484 1.00 63.53 ? 74 LEU B CG 1 -ATOM 3224 C CD1 . LEU B 2 96 ? -59.803 -53.574 11.777 1.00 50.21 ? 74 LEU B CD1 1 -ATOM 3225 C CD2 . LEU B 2 96 ? -60.596 -52.387 9.760 1.00 60.03 ? 74 LEU B CD2 1 -ATOM 3226 N N . VAL B 2 97 ? -56.472 -49.129 10.328 1.00 48.96 ? 75 VAL B N 1 -ATOM 3227 C CA . VAL B 2 97 ? -55.494 -48.170 10.833 1.00 31.26 ? 75 VAL B CA 1 -ATOM 3228 C C . VAL B 2 97 ? -56.174 -47.164 11.757 1.00 47.88 ? 75 VAL B C 1 -ATOM 3229 O O . VAL B 2 97 ? -57.134 -46.501 11.366 1.00 46.36 ? 75 VAL B O 1 -ATOM 3230 C CB . VAL B 2 97 ? -54.827 -47.419 9.689 1.00 46.86 ? 75 VAL B CB 1 -ATOM 3231 C CG1 . VAL B 2 97 ? -53.943 -46.314 10.227 1.00 45.81 ? 75 VAL B CG1 1 -ATOM 3232 C CG2 . VAL B 2 97 ? -54.056 -48.366 8.815 1.00 43.37 ? 75 VAL B CG2 1 -ATOM 3233 N N . THR B 2 98 ? -55.694 -47.067 12.987 1.00 44.35 ? 76 THR B N 1 -ATOM 3234 C CA . THR B 2 98 ? -56.182 -46.070 13.919 1.00 48.82 ? 76 THR B CA 1 -ATOM 3235 C C . THR B 2 98 ? -55.025 -45.157 14.287 1.00 49.07 ? 76 THR B C 1 -ATOM 3236 O O . THR B 2 98 ? -53.884 -45.621 14.399 1.00 49.89 ? 76 THR B O 1 -ATOM 3237 C CB . THR B 2 98 ? -56.761 -46.708 15.187 1.00 51.05 ? 76 THR B CB 1 -ATOM 3238 O OG1 . THR B 2 98 ? -57.123 -45.686 16.122 1.00 52.40 ? 76 THR B OG1 1 -ATOM 3239 C CG2 . THR B 2 98 ? -55.743 -47.618 15.829 1.00 50.82 ? 76 THR B CG2 1 -ATOM 3240 N N . GLY B 2 99 ? -55.306 -43.874 14.488 1.00 50.14 ? 77 GLY B N 1 -ATOM 3241 C CA . GLY B 2 99 ? -54.285 -42.946 14.952 1.00 43.65 ? 77 GLY B CA 1 -ATOM 3242 C C . GLY B 2 99 ? -54.554 -41.500 14.594 1.00 59.90 ? 77 GLY B C 1 -ATOM 3243 O O . GLY B 2 99 ? -55.646 -41.175 14.122 1.00 48.42 ? 77 GLY B O 1 -ATOM 3244 N N . GLN B 2 100 ? -53.556 -40.638 14.813 1.00 51.36 ? 78 GLN B N 1 -ATOM 3245 C CA . GLN B 2 100 ? -53.667 -39.215 14.482 1.00 49.00 ? 78 GLN B CA 1 -ATOM 3246 C C . GLN B 2 100 ? -52.309 -38.503 14.503 1.00 52.16 ? 78 GLN B C 1 -ATOM 3247 O O . GLN B 2 100 ? -51.313 -39.057 14.988 1.00 48.91 ? 78 GLN B O 1 -ATOM 3248 C CB . GLN B 2 100 ? -54.612 -38.527 15.458 1.00 50.52 ? 78 GLN B CB 1 -ATOM 3249 C CG . GLN B 2 100 ? -54.217 -38.792 16.901 1.00 58.88 ? 78 GLN B CG 1 -ATOM 3250 C CD . GLN B 2 100 ? -55.092 -38.057 17.881 1.00 64.47 ? 78 GLN B CD 1 -ATOM 3251 O OE1 . GLN B 2 100 ? -55.481 -36.914 17.631 1.00 62.67 ? 78 GLN B OE1 1 -ATOM 3252 N NE2 . GLN B 2 100 ? -55.437 -38.715 18.997 1.00 57.59 ? 78 GLN B NE2 1 -ATOM 3253 N N . SER B 2 101 ? -52.284 -37.281 13.971 1.00 50.63 ? 79 SER B N 1 -ATOM 3254 C CA . SER B 2 101 ? -51.088 -36.424 13.999 1.00 49.51 ? 79 SER B CA 1 -ATOM 3255 C C . SER B 2 101 ? -49.857 -37.200 13.523 1.00 56.95 ? 79 SER B C 1 -ATOM 3256 O O . SER B 2 101 ? -48.832 -37.196 14.191 1.00 52.24 ? 79 SER B O 1 -ATOM 3257 C CB . SER B 2 101 ? -50.843 -35.874 15.402 1.00 50.40 ? 79 SER B CB 1 -ATOM 3258 O OG . SER B 2 101 ? -52.038 -35.338 15.953 1.00 70.39 ? 79 SER B OG 1 -ATOM 3259 N N . GLY B 2 102 ? -49.996 -37.918 12.410 1.00 49.09 ? 80 GLY B N 1 -ATOM 3260 C CA . GLY B 2 102 ? -48.899 -38.660 11.817 1.00 46.71 ? 80 GLY B CA 1 -ATOM 3261 C C . GLY B 2 102 ? -48.536 -40.024 12.395 1.00 49.95 ? 80 GLY B C 1 -ATOM 3262 O O . GLY B 2 102 ? -47.785 -40.769 11.767 1.00 44.87 ? 80 GLY B O 1 -ATOM 3263 N N . LEU B 2 103 ? -49.048 -40.345 13.580 1.00 41.95 ? 81 LEU B N 1 -ATOM 3264 C CA . LEU B 2 103 ? -48.718 -41.587 14.265 1.00 42.66 ? 81 LEU B CA 1 -ATOM 3265 C C . LEU B 2 103 ? -49.848 -42.580 14.279 1.00 43.38 ? 81 LEU B C 1 -ATOM 3266 O O . LEU B 2 103 ? -50.824 -42.339 14.973 1.00 48.59 ? 81 LEU B O 1 -ATOM 3267 C CB . LEU B 2 103 ? -48.351 -41.289 15.704 1.00 48.75 ? 81 LEU B CB 1 -ATOM 3268 C CG . LEU B 2 103 ? -47.094 -40.453 15.842 1.00 65.43 ? 81 LEU B CG 1 -ATOM 3269 C CD1 . LEU B 2 103 ? -47.203 -39.583 17.073 1.00 54.59 ? 81 LEU B CD1 1 -ATOM 3270 C CD2 . LEU B 2 103 ? -45.926 -41.428 15.933 1.00 57.54 ? 81 LEU B CD2 1 -ATOM 3271 N N . PHE B 2 104 ? -49.680 -43.718 13.600 1.00 46.15 ? 82 PHE B N 1 -ATOM 3272 C CA . PHE B 2 104 ? -50.770 -44.696 13.413 1.00 40.31 ? 82 PHE B CA 1 -ATOM 3273 C C . PHE B 2 104 ? -50.393 -46.131 13.826 1.00 49.27 ? 82 PHE B C 1 -ATOM 3274 O O . PHE B 2 104 ? -49.223 -46.491 13.859 1.00 48.17 ? 82 PHE B O 1 -ATOM 3275 C CB . PHE B 2 104 ? -51.228 -44.698 11.944 1.00 39.05 ? 82 PHE B CB 1 -ATOM 3276 C CG . PHE B 2 104 ? -51.596 -43.328 11.416 1.00 52.70 ? 82 PHE B CG 1 -ATOM 3277 C CD1 . PHE B 2 104 ? -50.634 -42.499 10.837 1.00 43.75 ? 82 PHE B CD1 1 -ATOM 3278 C CD2 . PHE B 2 104 ? -52.893 -42.858 11.522 1.00 42.87 ? 82 PHE B CD2 1 -ATOM 3279 C CE1 . PHE B 2 104 ? -50.978 -41.241 10.376 1.00 43.51 ? 82 PHE B CE1 1 -ATOM 3280 C CE2 . PHE B 2 104 ? -53.233 -41.596 11.066 1.00 38.93 ? 82 PHE B CE2 1 -ATOM 3281 C CZ . PHE B 2 104 ? -52.274 -40.789 10.496 1.00 44.36 ? 82 PHE B CZ 1 -ATOM 3282 N N . THR B 2 105 ? -51.404 -46.937 14.145 1.00 47.03 ? 83 THR B N 1 -ATOM 3283 C CA . THR B 2 105 ? -51.218 -48.345 14.450 1.00 49.34 ? 83 THR B CA 1 -ATOM 3284 C C . THR B 2 105 ? -52.148 -49.158 13.556 1.00 50.70 ? 83 THR B C 1 -ATOM 3285 O O . THR B 2 105 ? -53.343 -48.885 13.442 1.00 42.35 ? 83 THR B O 1 -ATOM 3286 C CB . THR B 2 105 ? -51.499 -48.680 15.933 1.00 56.30 ? 83 THR B CB 1 -ATOM 3287 O OG1 . THR B 2 105 ? -50.613 -47.937 16.776 1.00 61.04 ? 83 THR B OG1 1 -ATOM 3288 C CG2 . THR B 2 105 ? -51.280 -50.171 16.200 1.00 50.63 ? 83 THR B CG2 1 -ATOM 3289 N N . GLN B 2 106 ? -51.575 -50.153 12.908 1.00 46.55 ? 84 GLN B N 1 -ATOM 3290 C CA . GLN B 2 106 ? -52.267 -50.915 11.902 1.00 46.39 ? 84 GLN B CA 1 -ATOM 3291 C C . GLN B 2 106 ? -52.709 -52.287 12.429 1.00 50.97 ? 84 GLN B C 1 -ATOM 3292 O O . GLN B 2 106 ? -51.881 -53.117 12.767 1.00 49.56 ? 84 GLN B O 1 -ATOM 3293 C CB . GLN B 2 106 ? -51.349 -51.094 10.698 1.00 47.38 ? 84 GLN B CB 1 -ATOM 3294 C CG . GLN B 2 106 ? -51.988 -51.852 9.552 1.00 53.70 ? 84 GLN B CG 1 -ATOM 3295 C CD . GLN B 2 106 ? -51.011 -52.119 8.444 1.00 60.51 ? 84 GLN B CD 1 -ATOM 3296 O OE1 . GLN B 2 106 ? -50.163 -53.011 8.557 1.00 63.07 ? 84 GLN B OE1 1 -ATOM 3297 N NE2 . GLN B 2 106 ? -51.118 -51.357 7.362 1.00 62.23 ? 84 GLN B NE2 1 -ATOM 3298 N N . TYR B 2 107 ? -54.006 -52.551 12.453 1.00 51.93 ? 85 TYR B N 1 -ATOM 3299 C CA . TYR B 2 107 ? -54.468 -53.865 12.892 1.00 47.48 ? 85 TYR B CA 1 -ATOM 3300 C C . TYR B 2 107 ? -54.834 -54.714 11.684 1.00 48.51 ? 85 TYR B C 1 -ATOM 3301 O O . TYR B 2 107 ? -55.741 -54.368 10.933 1.00 54.64 ? 85 TYR B O 1 -ATOM 3302 C CB . TYR B 2 107 ? -55.665 -53.718 13.837 1.00 53.15 ? 85 TYR B CB 1 -ATOM 3303 C CG . TYR B 2 107 ? -55.351 -52.995 15.128 1.00 46.98 ? 85 TYR B CG 1 -ATOM 3304 C CD1 . TYR B 2 107 ? -55.262 -51.612 15.173 1.00 57.19 ? 85 TYR B CD1 1 -ATOM 3305 C CD2 . TYR B 2 107 ? -55.146 -53.696 16.298 1.00 43.02 ? 85 TYR B CD2 1 -ATOM 3306 C CE1 . TYR B 2 107 ? -54.979 -50.951 16.349 1.00 52.25 ? 85 TYR B CE1 1 -ATOM 3307 C CE2 . TYR B 2 107 ? -54.860 -53.046 17.479 1.00 48.26 ? 85 TYR B CE2 1 -ATOM 3308 C CZ . TYR B 2 107 ? -54.776 -51.675 17.501 1.00 62.08 ? 85 TYR B CZ 1 -ATOM 3309 O OH . TYR B 2 107 ? -54.503 -51.026 18.690 1.00 77.25 ? 85 TYR B OH 1 -ATOM 3310 N N . ASN B 2 108 ? -54.177 -55.866 11.550 1.00 55.17 ? 86 ASN B N 1 -ATOM 3311 C CA . ASN B 2 108 ? -54.318 -56.688 10.354 1.00 59.69 ? 86 ASN B CA 1 -ATOM 3312 C C . ASN B 2 108 ? -55.246 -57.914 10.551 1.00 65.94 ? 86 ASN B C 1 -ATOM 3313 O O . ASN B 2 108 ? -54.776 -59.002 10.891 1.00 73.27 ? 86 ASN B O 1 -ATOM 3314 C CB . ASN B 2 108 ? -52.919 -57.135 9.874 1.00 54.79 ? 86 ASN B CB 1 -ATOM 3315 C CG . ASN B 2 108 ? -52.013 -55.945 9.459 1.00 67.88 ? 86 ASN B CG 1 -ATOM 3316 O OD1 . ASN B 2 108 ? -52.168 -55.356 8.377 1.00 54.51 ? 86 ASN B OD1 1 -ATOM 3317 N ND2 . ASN B 2 108 ? -51.048 -55.610 10.318 1.00 77.76 ? 86 ASN B ND2 1 -ATOM 3318 N N . ILE B 2 109 ? -56.551 -57.721 10.323 1.00 57.93 ? 87 ILE B N 1 -ATOM 3319 C CA . ILE B 2 109 ? -57.574 -58.791 10.379 1.00 68.35 ? 87 ILE B CA 1 -ATOM 3320 C C . ILE B 2 109 ? -57.590 -59.827 9.246 1.00 65.52 ? 87 ILE B C 1 -ATOM 3321 O O . ILE B 2 109 ? -57.851 -59.471 8.099 1.00 66.98 ? 87 ILE B O 1 -ATOM 3322 C CB . ILE B 2 109 ? -59.000 -58.241 10.360 1.00 59.70 ? 87 ILE B CB 1 -ATOM 3323 C CG1 . ILE B 2 109 ? -59.306 -57.373 11.563 1.00 71.26 ? 87 ILE B CG1 1 -ATOM 3324 C CG2 . ILE B 2 109 ? -60.021 -59.385 10.323 1.00 67.59 ? 87 ILE B CG2 1 -ATOM 3325 C CD1 . ILE B 2 109 ? -60.687 -56.728 11.405 1.00 74.96 ? 87 ILE B CD1 1 -ATOM 3326 N N . GLN B 2 110 ? -57.385 -61.103 9.569 1.00 72.61 ? 88 GLN B N 1 -ATOM 3327 C CA . GLN B 2 110 ? -57.412 -62.152 8.547 1.00 71.74 ? 88 GLN B CA 1 -ATOM 3328 C C . GLN B 2 110 ? -58.853 -62.410 8.104 1.00 60.75 ? 88 GLN B C 1 -ATOM 3329 O O . GLN B 2 110 ? -59.756 -62.526 8.934 1.00 73.95 ? 88 GLN B O 1 -ATOM 3330 C CB . GLN B 2 110 ? -56.788 -63.453 9.069 1.00 67.37 ? 88 GLN B CB 1 -ATOM 3331 C CG . GLN B 2 110 ? -56.438 -64.481 7.983 1.00 66.72 ? 88 GLN B CG 1 -ATOM 3332 C CD . GLN B 2 110 ? -55.867 -65.794 8.557 1.00 71.76 ? 88 GLN B CD 1 -ATOM 3333 O OE1 . GLN B 2 110 ? -55.131 -65.781 9.542 1.00 70.67 ? 88 GLN B OE1 1 -ATOM 3334 N NE2 . GLN B 2 110 ? -56.160 -66.918 7.897 1.00 58.13 ? 88 GLN B NE2 1 -ATOM 3335 N N . LYS B 2 111 ? -59.065 -62.425 6.790 1.00 58.19 ? 89 LYS B N 1 -ATOM 3336 C CA . LYS B 2 111 ? -60.362 -62.737 6.194 1.00 64.23 ? 89 LYS B CA 1 -ATOM 3337 C C . LYS B 2 111 ? -60.353 -64.098 5.487 1.00 69.22 ? 89 LYS B C 1 -ATOM 3338 O O . LYS B 2 111 ? -59.381 -64.859 5.596 1.00 65.06 ? 89 LYS B O 1 -ATOM 3339 C CB . LYS B 2 111 ? -60.785 -61.630 5.241 1.00 55.67 ? 89 LYS B CB 1 -ATOM 3340 C CG . LYS B 2 111 ? -61.027 -60.321 5.983 1.00 69.18 ? 89 LYS B CG 1 -ATOM 3341 C CD . LYS B 2 111 ? -62.120 -59.464 5.340 1.00 75.10 ? 89 LYS B CD 1 -ATOM 3342 C CE . LYS B 2 111 ? -63.470 -60.169 5.374 1.00 73.13 ? 89 LYS B CE 1 -ATOM 3343 N NZ . LYS B 2 111 ? -64.598 -59.264 5.013 1.00 85.53 ? 89 LYS B NZ 1 -ATOM 3344 N N . LYS B 2 112 ? -61.422 -64.412 4.756 1.00 67.98 ? 90 LYS B N 1 -ATOM 3345 C CA . LYS B 2 112 ? -61.508 -65.737 4.142 1.00 76.84 ? 90 LYS B CA 1 -ATOM 3346 C C . LYS B 2 112 ? -60.851 -65.750 2.765 1.00 77.03 ? 90 LYS B C 1 -ATOM 3347 O O . LYS B 2 112 ? -60.823 -64.730 2.061 1.00 75.79 ? 90 LYS B O 1 -ATOM 3348 C CB . LYS B 2 112 ? -62.973 -66.193 4.024 1.00 59.21 ? 90 LYS B CB 1 -ATOM 3349 N N . ALA B 2 113 ? -60.331 -66.918 2.395 1.00 67.95 ? 91 ALA B N 1 -ATOM 3350 C CA . ALA B 2 113 ? -59.533 -67.086 1.184 1.00 63.16 ? 91 ALA B CA 1 -ATOM 3351 C C . ALA B 2 113 ? -60.278 -66.638 -0.067 1.00 66.05 ? 91 ALA B C 1 -ATOM 3352 O O . ALA B 2 113 ? -61.509 -66.617 -0.102 1.00 63.37 ? 91 ALA B O 1 -ATOM 3353 C CB . ALA B 2 113 ? -59.082 -68.532 1.039 1.00 55.90 ? 91 ALA B CB 1 -ATOM 3354 N N . MET B 2 114 ? -59.513 -66.286 -1.096 1.00 73.56 ? 92 MET B N 1 -ATOM 3355 C CA . MET B 2 114 ? -60.070 -65.824 -2.361 1.00 60.88 ? 92 MET B CA 1 -ATOM 3356 C C . MET B 2 114 ? -59.047 -66.043 -3.466 1.00 61.06 ? 92 MET B C 1 -ATOM 3357 O O . MET B 2 114 ? -57.924 -66.484 -3.201 1.00 60.79 ? 92 MET B O 1 -ATOM 3358 C CB . MET B 2 114 ? -60.511 -64.351 -2.268 1.00 53.63 ? 92 MET B CB 1 -ATOM 3359 C CG . MET B 2 114 ? -59.406 -63.296 -2.127 1.00 74.24 ? 92 MET B CG 1 -ATOM 3360 S SD . MET B 2 114 ? -60.045 -61.580 -1.985 1.00 67.85 ? 92 MET B SD 1 -ATOM 3361 C CE . MET B 2 114 ? -60.740 -61.553 -0.332 1.00 64.73 ? 92 MET B CE 1 -ATOM 3362 N N . THR B 2 115 ? -59.449 -65.817 -4.711 1.00 64.91 ? 93 THR B N 1 -ATOM 3363 C CA . THR B 2 115 ? -58.530 -66.014 -5.833 1.00 79.68 ? 93 THR B CA 1 -ATOM 3364 C C . THR B 2 115 ? -57.917 -64.686 -6.299 1.00 77.61 ? 93 THR B C 1 -ATOM 3365 O O . THR B 2 115 ? -58.385 -63.615 -5.910 1.00 71.91 ? 93 THR B O 1 -ATOM 3366 C CB . THR B 2 115 ? -59.245 -66.657 -7.026 1.00 73.88 ? 93 THR B CB 1 -ATOM 3367 O OG1 . THR B 2 115 ? -60.287 -65.774 -7.468 1.00 69.46 ? 93 THR B OG1 1 -ATOM 3368 C CG2 . THR B 2 115 ? -59.855 -67.983 -6.625 1.00 66.84 ? 93 THR B CG2 1 -ATOM 3369 N N . VAL B 2 116 ? -56.908 -64.763 -7.167 1.00 71.23 ? 94 VAL B N 1 -ATOM 3370 C CA . VAL B 2 116 ? -56.349 -63.572 -7.791 1.00 72.63 ? 94 VAL B CA 1 -ATOM 3371 C C . VAL B 2 116 ? -57.398 -62.894 -8.658 1.00 76.78 ? 94 VAL B C 1 -ATOM 3372 O O . VAL B 2 116 ? -57.500 -61.663 -8.682 1.00 72.98 ? 94 VAL B O 1 -ATOM 3373 C CB . VAL B 2 116 ? -55.125 -63.919 -8.654 1.00 73.14 ? 94 VAL B CB 1 -ATOM 3374 C CG1 . VAL B 2 116 ? -54.777 -62.777 -9.622 1.00 77.45 ? 94 VAL B CG1 1 -ATOM 3375 C CG2 . VAL B 2 116 ? -53.954 -64.318 -7.779 1.00 61.76 ? 94 VAL B CG2 1 -ATOM 3376 N N A ARG B 2 117 ? -58.202 -63.703 -9.343 0.51 76.36 ? 95 ARG B N 1 -ATOM 3377 N N B ARG B 2 117 ? -58.168 -63.711 -9.372 0.49 76.34 ? 95 ARG B N 1 -ATOM 3378 C CA A ARG B 2 117 ? -59.297 -63.191 -10.163 0.51 76.56 ? 95 ARG B CA 1 -ATOM 3379 C CA B ARG B 2 117 ? -59.308 -63.241 -10.157 0.49 76.56 ? 95 ARG B CA 1 -ATOM 3380 C C A ARG B 2 117 ? -60.300 -62.461 -9.278 0.51 71.92 ? 95 ARG B C 1 -ATOM 3381 C C B ARG B 2 117 ? -60.284 -62.469 -9.278 0.49 71.92 ? 95 ARG B C 1 -ATOM 3382 O O A ARG B 2 117 ? -60.823 -61.412 -9.651 0.51 76.90 ? 95 ARG B O 1 -ATOM 3383 O O B ARG B 2 117 ? -60.773 -61.406 -9.654 0.49 76.88 ? 95 ARG B O 1 -ATOM 3384 C CB A ARG B 2 117 ? -59.979 -64.333 -10.937 0.51 74.93 ? 95 ARG B CB 1 -ATOM 3385 C CB B ARG B 2 117 ? -60.017 -64.428 -10.822 0.49 74.86 ? 95 ARG B CB 1 -ATOM 3386 C CG A ARG B 2 117 ? -61.142 -63.904 -11.841 0.51 74.76 ? 95 ARG B CG 1 -ATOM 3387 C CG B ARG B 2 117 ? -61.076 -64.063 -11.860 0.49 74.82 ? 95 ARG B CG 1 -ATOM 3388 C CD A ARG B 2 117 ? -61.779 -65.109 -12.547 0.51 72.57 ? 95 ARG B CD 1 -ATOM 3389 C CD B ARG B 2 117 ? -61.744 -65.316 -12.441 0.49 72.40 ? 95 ARG B CD 1 -ATOM 3390 N NE A ARG B 2 117 ? -61.209 -65.356 -13.872 0.51 69.74 ? 95 ARG B NE 1 -ATOM 3391 N NE B ARG B 2 117 ? -60.765 -66.262 -12.976 0.49 67.75 ? 95 ARG B NE 1 -ATOM 3392 C CZ A ARG B 2 117 ? -61.827 -65.063 -15.013 0.51 67.14 ? 95 ARG B CZ 1 -ATOM 3393 C CZ B ARG B 2 117 ? -60.354 -67.355 -12.338 0.49 66.03 ? 95 ARG B CZ 1 -ATOM 3394 N NH1 A ARG B 2 117 ? -63.037 -64.526 -14.987 0.51 74.68 ? 95 ARG B NH1 1 -ATOM 3395 N NH1 B ARG B 2 117 ? -60.842 -67.652 -11.141 0.49 58.74 ? 95 ARG B NH1 1 -ATOM 3396 N NH2 A ARG B 2 117 ? -61.246 -65.314 -16.177 0.51 64.19 ? 95 ARG B NH2 1 -ATOM 3397 N NH2 B ARG B 2 117 ? -59.454 -68.150 -12.899 0.49 63.45 ? 95 ARG B NH2 1 -ATOM 3398 N N . GLU B 2 118 ? -60.557 -63.021 -8.101 1.00 74.81 ? 96 GLU B N 1 -ATOM 3399 C CA . GLU B 2 118 ? -61.484 -62.422 -7.146 1.00 76.54 ? 96 GLU B CA 1 -ATOM 3400 C C . GLU B 2 118 ? -60.921 -61.128 -6.581 1.00 77.33 ? 96 GLU B C 1 -ATOM 3401 O O . GLU B 2 118 ? -61.629 -60.134 -6.454 1.00 70.51 ? 96 GLU B O 1 -ATOM 3402 C CB . GLU B 2 118 ? -61.788 -63.393 -6.007 1.00 68.52 ? 96 GLU B CB 1 -ATOM 3403 N N . PHE B 2 119 ? -59.648 -61.178 -6.199 1.00 73.62 ? 97 PHE B N 1 -ATOM 3404 C CA . PHE B 2 119 ? -58.947 -60.032 -5.626 1.00 72.01 ? 97 PHE B CA 1 -ATOM 3405 C C . PHE B 2 119 ? -58.867 -58.849 -6.590 1.00 75.44 ? 97 PHE B C 1 -ATOM 3406 O O . PHE B 2 119 ? -59.205 -57.721 -6.208 1.00 67.57 ? 97 PHE B O 1 -ATOM 3407 C CB . PHE B 2 119 ? -57.541 -60.451 -5.195 1.00 73.13 ? 97 PHE B CB 1 -ATOM 3408 C CG . PHE B 2 119 ? -56.791 -59.397 -4.425 1.00 68.35 ? 97 PHE B CG 1 -ATOM 3409 C CD1 . PHE B 2 119 ? -57.146 -59.079 -3.128 1.00 69.79 ? 97 PHE B CD1 1 -ATOM 3410 C CD2 . PHE B 2 119 ? -55.716 -58.740 -4.997 1.00 64.56 ? 97 PHE B CD2 1 -ATOM 3411 C CE1 . PHE B 2 119 ? -56.450 -58.117 -2.419 1.00 58.96 ? 97 PHE B CE1 1 -ATOM 3412 C CE2 . PHE B 2 119 ? -55.022 -57.771 -4.291 1.00 64.65 ? 97 PHE B CE2 1 -ATOM 3413 C CZ . PHE B 2 119 ? -55.392 -57.460 -3.003 1.00 50.11 ? 97 PHE B CZ 1 -ATOM 3414 N N . ARG B 2 120 ? -58.449 -59.112 -7.834 1.00 71.89 ? 98 ARG B N 1 -ATOM 3415 C CA . ARG B 2 120 ? -58.306 -58.052 -8.833 1.00 71.69 ? 98 ARG B CA 1 -ATOM 3416 C C . ARG B 2 120 ? -59.615 -57.336 -9.096 1.00 67.10 ? 98 ARG B C 1 -ATOM 3417 O O . ARG B 2 120 ? -59.632 -56.137 -9.353 1.00 72.74 ? 98 ARG B O 1 -ATOM 3418 C CB . ARG B 2 120 ? -57.780 -58.592 -10.165 1.00 74.77 ? 98 ARG B CB 1 -ATOM 3419 C CG . ARG B 2 120 ? -57.497 -57.469 -11.167 1.00 76.52 ? 98 ARG B CG 1 -ATOM 3420 C CD . ARG B 2 120 ? -57.394 -57.928 -12.608 1.00 69.92 ? 98 ARG B CD 1 -ATOM 3421 N NE . ARG B 2 120 ? -56.652 -59.172 -12.771 1.00 75.18 ? 98 ARG B NE 1 -ATOM 3422 C CZ . ARG B 2 120 ? -57.227 -60.341 -13.036 1.00 76.97 ? 98 ARG B CZ 1 -ATOM 3423 N NH1 . ARG B 2 120 ? -58.546 -60.413 -13.162 1.00 75.32 ? 98 ARG B NH1 1 -ATOM 3424 N NH2 . ARG B 2 120 ? -56.489 -61.433 -13.181 1.00 78.26 ? 98 ARG B NH2 1 -ATOM 3425 N N . LYS B 2 121 ? -60.717 -58.068 -9.016 1.00 70.00 ? 99 LYS B N 1 -ATOM 3426 C CA . LYS B 2 121 ? -62.015 -57.457 -9.243 1.00 68.90 ? 99 LYS B CA 1 -ATOM 3427 C C . LYS B 2 121 ? -62.294 -56.406 -8.171 1.00 65.72 ? 99 LYS B C 1 -ATOM 3428 O O . LYS B 2 121 ? -62.792 -55.324 -8.474 1.00 71.70 ? 99 LYS B O 1 -ATOM 3429 C CB . LYS B 2 121 ? -63.121 -58.519 -9.291 1.00 76.57 ? 99 LYS B CB 1 -ATOM 3430 C CG . LYS B 2 121 ? -63.450 -59.015 -10.706 1.00 63.26 ? 99 LYS B CG 1 -ATOM 3431 N N . ILE B 2 122 ? -61.982 -56.728 -6.919 1.00 71.66 ? 100 ILE B N 1 -ATOM 3432 C CA . ILE B 2 122 ? -62.223 -55.809 -5.801 1.00 69.97 ? 100 ILE B CA 1 -ATOM 3433 C C . ILE B 2 122 ? -61.211 -54.640 -5.729 1.00 75.07 ? 100 ILE B C 1 -ATOM 3434 O O . ILE B 2 122 ? -61.532 -53.550 -5.232 1.00 61.88 ? 100 ILE B O 1 -ATOM 3435 C CB . ILE B 2 122 ? -62.191 -56.566 -4.465 1.00 72.12 ? 100 ILE B CB 1 -ATOM 3436 C CG1 . ILE B 2 122 ? -62.925 -57.904 -4.592 1.00 76.18 ? 100 ILE B CG1 1 -ATOM 3437 C CG2 . ILE B 2 122 ? -62.768 -55.707 -3.348 1.00 67.67 ? 100 ILE B CG2 1 -ATOM 3438 C CD1 . ILE B 2 122 ? -62.866 -58.750 -3.346 1.00 74.83 ? 100 ILE B CD1 1 -ATOM 3439 N N . ALA B 2 123 ? -59.989 -54.877 -6.212 1.00 65.65 ? 101 ALA B N 1 -ATOM 3440 C CA . ALA B 2 123 ? -58.947 -53.850 -6.179 1.00 70.48 ? 101 ALA B CA 1 -ATOM 3441 C C . ALA B 2 123 ? -59.255 -52.752 -7.177 1.00 71.21 ? 101 ALA B C 1 -ATOM 3442 O O . ALA B 2 123 ? -59.076 -51.572 -6.888 1.00 77.06 ? 101 ALA B O 1 -ATOM 3443 C CB . ALA B 2 123 ? -57.579 -54.463 -6.476 1.00 62.10 ? 101 ALA B CB 1 -ATOM 3444 N N . ASN B 2 124 ? -59.776 -53.161 -8.333 1.00 80.26 ? 102 ASN B N 1 -ATOM 3445 C CA . ASN B 2 124 ? -60.094 -52.256 -9.425 1.00 73.28 ? 102 ASN B CA 1 -ATOM 3446 C C . ASN B 2 124 ? -61.544 -51.788 -9.326 1.00 71.94 ? 102 ASN B C 1 -ATOM 3447 O O . ASN B 2 124 ? -61.980 -50.923 -10.089 1.00 69.74 ? 102 ASN B O 1 -ATOM 3448 C CB . ASN B 2 124 ? -59.828 -52.931 -10.771 1.00 63.75 ? 102 ASN B CB 1 -ATOM 3449 C CG . ASN B 2 124 ? -58.351 -53.194 -11.008 1.00 78.50 ? 102 ASN B CG 1 -ATOM 3450 O OD1 . ASN B 2 124 ? -57.492 -52.424 -10.569 1.00 81.27 ? 102 ASN B OD1 1 -ATOM 3451 N ND2 . ASN B 2 124 ? -58.047 -54.282 -11.711 1.00 77.72 ? 102 ASN B ND2 1 -ATOM 3452 N N . SER B 2 125 ? -62.279 -52.379 -8.381 1.00 75.02 ? 103 SER B N 1 -ATOM 3453 C CA . SER B 2 125 ? -63.602 -51.893 -7.977 1.00 72.41 ? 103 SER B CA 1 -ATOM 3454 C C . SER B 2 125 ? -63.596 -50.392 -7.717 1.00 68.68 ? 103 SER B C 1 -ATOM 3455 O O . SER B 2 125 ? -62.564 -49.829 -7.373 1.00 74.31 ? 103 SER B O 1 -ATOM 3456 C CB . SER B 2 125 ? -64.075 -52.611 -6.719 1.00 68.17 ? 103 SER B CB 1 -ATOM 3457 O OG . SER B 2 125 ? -64.865 -51.737 -5.924 1.00 78.54 ? 103 SER B OG 1 -ATOM 3458 N N . ASP B 2 126 ? -64.748 -49.747 -7.847 1.00 71.92 ? 104 ASP B N 1 -ATOM 3459 C CA . ASP B 2 126 ? -64.801 -48.290 -7.728 1.00 82.71 ? 104 ASP B CA 1 -ATOM 3460 C C . ASP B 2 126 ? -64.587 -47.758 -6.304 1.00 81.90 ? 104 ASP B C 1 -ATOM 3461 O O . ASP B 2 126 ? -64.265 -46.585 -6.126 1.00 90.84 ? 104 ASP B O 1 -ATOM 3462 C CB . ASP B 2 126 ? -66.139 -47.762 -8.272 1.00 66.06 ? 104 ASP B CB 1 -ATOM 3463 N N . LYS B 2 127 ? -64.738 -48.601 -5.291 1.00 82.01 ? 105 LYS B N 1 -ATOM 3464 C CA . LYS B 2 127 ? -64.599 -48.096 -3.929 1.00 84.28 ? 105 LYS B CA 1 -ATOM 3465 C C . LYS B 2 127 ? -63.170 -48.319 -3.396 1.00 80.76 ? 105 LYS B C 1 -ATOM 3466 O O . LYS B 2 127 ? -62.784 -47.754 -2.365 1.00 76.04 ? 105 LYS B O 1 -ATOM 3467 C CB . LYS B 2 127 ? -65.636 -48.737 -3.002 1.00 81.35 ? 105 LYS B CB 1 -ATOM 3468 C CG . LYS B 2 127 ? -65.659 -48.110 -1.622 1.00 74.68 ? 105 LYS B CG 1 -ATOM 3469 C CD . LYS B 2 127 ? -66.239 -49.031 -0.574 1.00 88.34 ? 105 LYS B CD 1 -ATOM 3470 C CE . LYS B 2 127 ? -65.941 -48.456 0.803 1.00 83.82 ? 105 LYS B CE 1 -ATOM 3471 N NZ . LYS B 2 127 ? -66.553 -49.163 1.956 1.00 79.40 ? 105 LYS B NZ 1 -ATOM 3472 N N . TYR B 2 128 ? -62.386 -49.136 -4.099 1.00 69.93 ? 106 TYR B N 1 -ATOM 3473 C CA . TYR B 2 128 ? -61.023 -49.431 -3.657 1.00 68.69 ? 106 TYR B CA 1 -ATOM 3474 C C . TYR B 2 128 ? -59.949 -49.008 -4.669 1.00 72.60 ? 106 TYR B C 1 -ATOM 3475 O O . TYR B 2 128 ? -58.749 -49.121 -4.394 1.00 65.90 ? 106 TYR B O 1 -ATOM 3476 C CB . TYR B 2 128 ? -60.881 -50.935 -3.343 1.00 71.67 ? 106 TYR B CB 1 -ATOM 3477 C CG . TYR B 2 128 ? -61.719 -51.355 -2.153 1.00 78.64 ? 106 TYR B CG 1 -ATOM 3478 C CD1 . TYR B 2 128 ? -61.817 -50.536 -1.031 1.00 71.34 ? 106 TYR B CD1 1 -ATOM 3479 C CD2 . TYR B 2 128 ? -62.457 -52.535 -2.172 1.00 72.50 ? 106 TYR B CD2 1 -ATOM 3480 C CE1 . TYR B 2 128 ? -62.594 -50.883 0.048 1.00 72.77 ? 106 TYR B CE1 1 -ATOM 3481 C CE2 . TYR B 2 128 ? -63.248 -52.895 -1.090 1.00 78.67 ? 106 TYR B CE2 1 -ATOM 3482 C CZ . TYR B 2 128 ? -63.314 -52.060 0.018 1.00 87.22 ? 106 TYR B CZ 1 -ATOM 3483 O OH . TYR B 2 128 ? -64.093 -52.396 1.105 1.00 84.45 ? 106 TYR B OH 1 -ATOM 3484 N N . CYS B 2 129 ? -60.359 -48.519 -5.835 1.00 67.96 ? 107 CYS B N 1 -ATOM 3485 C CA . CYS B 2 129 ? -59.370 -48.214 -6.866 1.00 69.47 ? 107 CYS B CA 1 -ATOM 3486 C C . CYS B 2 129 ? -58.607 -46.928 -6.520 1.00 66.43 ? 107 CYS B C 1 -ATOM 3487 O O . CYS B 2 129 ? -59.052 -46.113 -5.685 1.00 49.49 ? 107 CYS B O 1 -ATOM 3488 C CB . CYS B 2 129 ? -60.020 -48.107 -8.258 1.00 63.55 ? 107 CYS B CB 1 -ATOM 3489 S SG . CYS B 2 129 ? -61.225 -46.759 -8.509 1.00 82.31 ? 107 CYS B SG 1 -ATOM 3490 N N . THR B 2 130 ? -57.463 -46.762 -7.181 1.00 59.15 ? 108 THR B N 1 -ATOM 3491 C CA . THR B 2 130 ? -56.627 -45.576 -7.021 1.00 55.57 ? 108 THR B CA 1 -ATOM 3492 C C . THR B 2 130 ? -57.415 -44.335 -7.386 1.00 62.02 ? 108 THR B C 1 -ATOM 3493 O O . THR B 2 130 ? -58.131 -44.328 -8.392 1.00 71.91 ? 108 THR B O 1 -ATOM 3494 C CB . THR B 2 130 ? -55.402 -45.646 -7.924 1.00 57.26 ? 108 THR B CB 1 -ATOM 3495 O OG1 . THR B 2 130 ? -54.919 -46.996 -7.974 1.00 57.05 ? 108 THR B OG1 1 -ATOM 3496 C CG2 . THR B 2 130 ? -54.313 -44.670 -7.448 1.00 53.34 ? 108 THR B CG2 1 -ATOM 3497 N N . PRO B 2 131 ? -57.283 -43.273 -6.581 1.00 64.39 ? 109 PRO B N 1 -ATOM 3498 C CA . PRO B 2 131 ? -57.918 -41.984 -6.902 1.00 65.90 ? 109 PRO B CA 1 -ATOM 3499 C C . PRO B 2 131 ? -57.181 -41.269 -8.036 1.00 61.51 ? 109 PRO B C 1 -ATOM 3500 O O . PRO B 2 131 ? -56.065 -41.656 -8.359 1.00 71.96 ? 109 PRO B O 1 -ATOM 3501 C CB . PRO B 2 131 ? -57.812 -41.196 -5.587 1.00 57.49 ? 109 PRO B CB 1 -ATOM 3502 C CG . PRO B 2 131 ? -57.562 -42.226 -4.529 1.00 62.07 ? 109 PRO B CG 1 -ATOM 3503 C CD . PRO B 2 131 ? -56.753 -43.296 -5.209 1.00 61.13 ? 109 PRO B CD 1 -ATOM 3504 N N . ARG B 2 132 ? -57.791 -40.257 -8.644 1.00 73.32 ? 110 ARG B N 1 -ATOM 3505 C CA . ARG B 2 132 ? -57.125 -39.542 -9.731 1.00 77.11 ? 110 ARG B CA 1 -ATOM 3506 C C . ARG B 2 132 ? -56.097 -38.590 -9.145 1.00 76.78 ? 110 ARG B C 1 -ATOM 3507 O O . ARG B 2 132 ? -56.269 -38.101 -8.025 1.00 73.02 ? 110 ARG B O 1 -ATOM 3508 C CB . ARG B 2 132 ? -58.134 -38.777 -10.593 1.00 68.36 ? 110 ARG B CB 1 -ATOM 3509 N N . TYR B 2 133 ? -55.023 -38.338 -9.890 1.00 80.97 ? 111 TYR B N 1 -ATOM 3510 C CA . TYR B 2 133 ? -53.955 -37.471 -9.394 1.00 81.11 ? 111 TYR B CA 1 -ATOM 3511 C C . TYR B 2 133 ? -53.051 -36.950 -10.502 1.00 85.42 ? 111 TYR B C 1 -ATOM 3512 O O . TYR B 2 133 ? -52.965 -37.542 -11.583 1.00 88.50 ? 111 TYR B O 1 -ATOM 3513 C CB . TYR B 2 133 ? -53.108 -38.216 -8.356 1.00 74.63 ? 111 TYR B CB 1 -ATOM 3514 C CG . TYR B 2 133 ? -52.348 -39.421 -8.876 1.00 69.38 ? 111 TYR B CG 1 -ATOM 3515 C CD1 . TYR B 2 133 ? -53.003 -40.617 -9.153 1.00 72.99 ? 111 TYR B CD1 1 -ATOM 3516 C CD2 . TYR B 2 133 ? -50.966 -39.383 -9.020 1.00 75.45 ? 111 TYR B CD2 1 -ATOM 3517 C CE1 . TYR B 2 133 ? -52.311 -41.725 -9.600 1.00 72.47 ? 111 TYR B CE1 1 -ATOM 3518 C CE2 . TYR B 2 133 ? -50.262 -40.488 -9.465 1.00 73.02 ? 111 TYR B CE2 1 -ATOM 3519 C CZ . TYR B 2 133 ? -50.942 -41.655 -9.753 1.00 69.59 ? 111 TYR B CZ 1 -ATOM 3520 O OH . TYR B 2 133 ? -50.255 -42.753 -10.199 1.00 74.95 ? 111 TYR B OH 1 -ATOM 3521 N N . SER B 2 134 ? -52.362 -35.847 -10.216 1.00 80.75 ? 112 SER B N 1 -ATOM 3522 C CA . SER B 2 134 ? -51.384 -35.302 -11.146 1.00 81.23 ? 112 SER B CA 1 -ATOM 3523 C C . SER B 2 134 ? -50.037 -35.979 -10.886 1.00 84.55 ? 112 SER B C 1 -ATOM 3524 O O . SER B 2 134 ? -49.721 -37.004 -11.497 1.00 83.06 ? 112 SER B O 1 -ATOM 3525 C CB . SER B 2 134 ? -51.279 -33.775 -11.002 1.00 69.94 ? 112 SER B CB 1 -ATOM 3526 N N . GLU B 2 135 ? -49.251 -35.391 -9.983 1.00 84.99 ? 113 GLU B N 1 -ATOM 3527 C CA . GLU B 2 135 ? -47.957 -35.936 -9.573 1.00 67.92 ? 113 GLU B CA 1 -ATOM 3528 C C . GLU B 2 135 ? -48.064 -36.884 -8.385 1.00 76.92 ? 113 GLU B C 1 -ATOM 3529 O O . GLU B 2 135 ? -49.097 -36.945 -7.710 1.00 69.97 ? 113 GLU B O 1 -ATOM 3530 C CB . GLU B 2 135 ? -46.990 -34.809 -9.222 1.00 58.76 ? 113 GLU B CB 1 -ATOM 3531 N N . PHE B 2 136 ? -46.965 -37.590 -8.117 1.00 83.37 ? 114 PHE B N 1 -ATOM 3532 C CA . PHE B 2 136 ? -46.856 -38.477 -6.960 1.00 70.27 ? 114 PHE B CA 1 -ATOM 3533 C C . PHE B 2 136 ? -47.115 -37.748 -5.658 1.00 67.99 ? 114 PHE B C 1 -ATOM 3534 O O . PHE B 2 136 ? -47.723 -38.311 -4.755 1.00 71.76 ? 114 PHE B O 1 -ATOM 3535 C CB . PHE B 2 136 ? -45.465 -39.110 -6.890 1.00 72.69 ? 114 PHE B CB 1 -ATOM 3536 C CG . PHE B 2 136 ? -45.132 -39.711 -5.547 1.00 70.13 ? 114 PHE B CG 1 -ATOM 3537 C CD1 . PHE B 2 136 ? -45.639 -40.958 -5.181 1.00 65.23 ? 114 PHE B CD1 1 -ATOM 3538 C CD2 . PHE B 2 136 ? -44.297 -39.042 -4.658 1.00 63.69 ? 114 PHE B CD2 1 -ATOM 3539 C CE1 . PHE B 2 136 ? -45.337 -41.519 -3.947 1.00 54.94 ? 114 PHE B CE1 1 -ATOM 3540 C CE2 . PHE B 2 136 ? -43.981 -39.596 -3.424 1.00 67.70 ? 114 PHE B CE2 1 -ATOM 3541 C CZ . PHE B 2 136 ? -44.501 -40.839 -3.066 1.00 71.36 ? 114 PHE B CZ 1 -ATOM 3542 N N . GLU B 2 137 ? -46.622 -36.514 -5.549 1.00 62.97 ? 115 GLU B N 1 -ATOM 3543 C CA . GLU B 2 137 ? -46.826 -35.741 -4.333 1.00 65.31 ? 115 GLU B CA 1 -ATOM 3544 C C . GLU B 2 137 ? -48.312 -35.696 -3.977 1.00 53.38 ? 115 GLU B C 1 -ATOM 3545 O O . GLU B 2 137 ? -48.662 -35.797 -2.811 1.00 57.00 ? 115 GLU B O 1 -ATOM 3546 C CB . GLU B 2 137 ? -46.258 -34.319 -4.476 1.00 55.99 ? 115 GLU B CB 1 -ATOM 3547 N N . GLU B 2 138 ? -49.179 -35.572 -4.982 1.00 56.31 ? 116 GLU B N 1 -ATOM 3548 C CA . GLU B 2 138 ? -50.626 -35.561 -4.750 1.00 64.13 ? 116 GLU B CA 1 -ATOM 3549 C C . GLU B 2 138 ? -51.096 -36.914 -4.236 1.00 62.07 ? 116 GLU B C 1 -ATOM 3550 O O . GLU B 2 138 ? -51.892 -36.977 -3.306 1.00 60.21 ? 116 GLU B O 1 -ATOM 3551 C CB . GLU B 2 138 ? -51.409 -35.195 -6.020 1.00 48.59 ? 116 GLU B CB 1 -ATOM 3552 N N . LEU B 2 139 ? -50.614 -37.994 -4.851 1.00 63.32 ? 117 LEU B N 1 -ATOM 3553 C CA . LEU B 2 139 ? -51.027 -39.335 -4.438 1.00 60.32 ? 117 LEU B CA 1 -ATOM 3554 C C . LEU B 2 139 ? -50.540 -39.615 -3.020 1.00 57.82 ? 117 LEU B C 1 -ATOM 3555 O O . LEU B 2 139 ? -51.271 -40.158 -2.192 1.00 53.79 ? 117 LEU B O 1 -ATOM 3556 C CB . LEU B 2 139 ? -50.490 -40.387 -5.397 1.00 62.95 ? 117 LEU B CB 1 -ATOM 3557 C CG . LEU B 2 139 ? -51.025 -41.800 -5.175 1.00 60.27 ? 117 LEU B CG 1 -ATOM 3558 C CD1 . LEU B 2 139 ? -52.435 -41.944 -5.713 1.00 49.71 ? 117 LEU B CD1 1 -ATOM 3559 C CD2 . LEU B 2 139 ? -50.113 -42.817 -5.811 1.00 58.15 ? 117 LEU B CD2 1 -ATOM 3560 N N . GLU B 2 140 ? -49.317 -39.184 -2.731 1.00 59.32 ? 118 GLU B N 1 -ATOM 3561 C CA . GLU B 2 140 ? -48.724 -39.360 -1.410 1.00 56.40 ? 118 GLU B CA 1 -ATOM 3562 C C . GLU B 2 140 ? -49.536 -38.632 -0.323 1.00 53.84 ? 118 GLU B C 1 -ATOM 3563 O O . GLU B 2 140 ? -49.793 -39.196 0.742 1.00 53.53 ? 118 GLU B O 1 -ATOM 3564 C CB . GLU B 2 140 ? -47.253 -38.880 -1.416 1.00 47.61 ? 118 GLU B CB 1 -ATOM 3565 C CG . GLU B 2 140 ? -46.554 -38.974 -0.041 1.00 58.88 ? 118 GLU B CG 1 -ATOM 3566 C CD . GLU B 2 140 ? -45.093 -38.469 -0.037 1.00 70.57 ? 118 GLU B CD 1 -ATOM 3567 O OE1 . GLU B 2 140 ? -44.679 -37.821 -1.035 1.00 74.50 ? 118 GLU B OE1 1 -ATOM 3568 O OE2 . GLU B 2 140 ? -44.377 -38.686 0.988 1.00 44.56 ? 118 GLU B OE2 1 -ATOM 3569 N N . ARG B 2 141 ? -49.918 -37.380 -0.584 1.00 50.05 ? 119 ARG B N 1 -ATOM 3570 C CA . ARG B 2 141 ? -50.803 -36.624 0.314 1.00 44.96 ? 119 ARG B CA 1 -ATOM 3571 C C . ARG B 2 141 ? -52.116 -37.372 0.553 1.00 42.30 ? 119 ARG B C 1 -ATOM 3572 O O . ARG B 2 141 ? -52.577 -37.499 1.680 1.00 50.21 ? 119 ARG B O 1 -ATOM 3573 C CB . ARG B 2 141 ? -51.096 -35.224 -0.253 1.00 49.48 ? 119 ARG B CB 1 -ATOM 3574 N N . LYS B 2 142 ? -52.719 -37.871 -0.509 1.00 44.82 ? 120 LYS B N 1 -ATOM 3575 C CA . LYS B 2 142 ? -53.965 -38.593 -0.359 1.00 52.36 ? 120 LYS B CA 1 -ATOM 3576 C C . LYS B 2 142 ? -53.740 -39.847 0.487 1.00 50.75 ? 120 LYS B C 1 -ATOM 3577 O O . LYS B 2 142 ? -54.570 -40.184 1.321 1.00 46.25 ? 120 LYS B O 1 -ATOM 3578 C CB . LYS B 2 142 ? -54.548 -38.933 -1.727 1.00 57.19 ? 120 LYS B CB 1 -ATOM 3579 C CG . LYS B 2 142 ? -55.083 -37.701 -2.431 1.00 63.35 ? 120 LYS B CG 1 -ATOM 3580 C CD . LYS B 2 142 ? -55.962 -38.022 -3.615 1.00 63.78 ? 120 LYS B CD 1 -ATOM 3581 C CE . LYS B 2 142 ? -56.698 -36.755 -4.063 1.00 65.93 ? 120 LYS B CE 1 -ATOM 3582 N NZ . LYS B 2 142 ? -57.584 -36.969 -5.244 1.00 74.12 ? 120 LYS B NZ 1 -ATOM 3583 N N . TYR B 2 143 ? -52.584 -40.493 0.343 1.00 58.05 ? 121 TYR B N 1 -ATOM 3584 C CA . TYR B 2 143 ? -52.295 -41.661 1.180 1.00 47.25 ? 121 TYR B CA 1 -ATOM 3585 C C . TYR B 2 143 ? -52.317 -41.341 2.677 1.00 47.65 ? 121 TYR B C 1 -ATOM 3586 O O . TYR B 2 143 ? -53.020 -42.007 3.448 1.00 49.25 ? 121 TYR B O 1 -ATOM 3587 C CB . TYR B 2 143 ? -50.935 -42.273 0.836 1.00 42.45 ? 121 TYR B CB 1 -ATOM 3588 C CG . TYR B 2 143 ? -50.602 -43.388 1.796 1.00 47.86 ? 121 TYR B CG 1 -ATOM 3589 C CD1 . TYR B 2 143 ? -51.273 -44.606 1.724 1.00 49.09 ? 121 TYR B CD1 1 -ATOM 3590 C CD2 . TYR B 2 143 ? -49.659 -43.213 2.804 1.00 41.65 ? 121 TYR B CD2 1 -ATOM 3591 C CE1 . TYR B 2 143 ? -51.005 -45.628 2.616 1.00 38.68 ? 121 TYR B CE1 1 -ATOM 3592 C CE2 . TYR B 2 143 ? -49.376 -44.224 3.686 1.00 51.59 ? 121 TYR B CE2 1 -ATOM 3593 C CZ . TYR B 2 143 ? -50.059 -45.438 3.581 1.00 47.87 ? 121 TYR B CZ 1 -ATOM 3594 O OH . TYR B 2 143 ? -49.776 -46.456 4.453 1.00 44.02 ? 121 TYR B OH 1 -ATOM 3595 N N . TRP B 2 144 ? -51.542 -40.333 3.091 1.00 42.11 ? 122 TRP B N 1 -ATOM 3596 C CA . TRP B 2 144 ? -51.429 -39.963 4.509 1.00 38.67 ? 122 TRP B CA 1 -ATOM 3597 C C . TRP B 2 144 ? -52.652 -39.270 5.027 1.00 40.69 ? 122 TRP B C 1 -ATOM 3598 O O . TRP B 2 144 ? -52.857 -39.191 6.242 1.00 51.91 ? 122 TRP B O 1 -ATOM 3599 C CB . TRP B 2 144 ? -50.183 -39.069 4.752 1.00 44.77 ? 122 TRP B CB 1 -ATOM 3600 C CG . TRP B 2 144 ? -48.968 -39.903 4.591 1.00 45.48 ? 122 TRP B CG 1 -ATOM 3601 C CD1 . TRP B 2 144 ? -48.123 -39.912 3.533 1.00 41.88 ? 122 TRP B CD1 1 -ATOM 3602 C CD2 . TRP B 2 144 ? -48.534 -40.945 5.468 1.00 36.62 ? 122 TRP B CD2 1 -ATOM 3603 N NE1 . TRP B 2 144 ? -47.152 -40.867 3.713 1.00 43.51 ? 122 TRP B NE1 1 -ATOM 3604 C CE2 . TRP B 2 144 ? -47.385 -41.519 4.896 1.00 43.07 ? 122 TRP B CE2 1 -ATOM 3605 C CE3 . TRP B 2 144 ? -48.981 -41.420 6.706 1.00 42.49 ? 122 TRP B CE3 1 -ATOM 3606 C CZ2 . TRP B 2 144 ? -46.672 -42.558 5.516 1.00 35.08 ? 122 TRP B CZ2 1 -ATOM 3607 C CZ3 . TRP B 2 144 ? -48.269 -42.444 7.324 1.00 38.21 ? 122 TRP B CZ3 1 -ATOM 3608 C CH2 . TRP B 2 144 ? -47.136 -43.002 6.726 1.00 33.07 ? 122 TRP B CH2 1 -ATOM 3609 N N . LYS B 2 145 ? -53.496 -38.788 4.125 1.00 48.34 ? 123 LYS B N 1 -ATOM 3610 C CA . LYS B 2 145 ? -54.731 -38.145 4.571 1.00 56.51 ? 123 LYS B CA 1 -ATOM 3611 C C . LYS B 2 145 ? -55.906 -39.171 4.687 1.00 43.88 ? 123 LYS B C 1 -ATOM 3612 O O . LYS B 2 145 ? -56.693 -39.092 5.616 1.00 51.42 ? 123 LYS B O 1 -ATOM 3613 C CB . LYS B 2 145 ? -55.044 -36.948 3.645 1.00 43.63 ? 123 LYS B CB 1 -ATOM 3614 C CG . LYS B 2 145 ? -56.505 -36.656 3.309 1.00 62.34 ? 123 LYS B CG 1 -ATOM 3615 C CD . LYS B 2 145 ? -56.591 -35.491 2.284 1.00 60.58 ? 123 LYS B CD 1 -ATOM 3616 C CE . LYS B 2 145 ? -57.948 -35.388 1.591 1.00 74.41 ? 123 LYS B CE 1 -ATOM 3617 N NZ . LYS B 2 145 ? -57.822 -35.470 0.099 1.00 82.73 ? 123 LYS B NZ 1 -ATOM 3618 N N . ASN B 2 146 ? -55.975 -40.169 3.815 1.00 48.99 ? 124 ASN B N 1 -ATOM 3619 C CA . ASN B 2 146 ? -57.093 -41.126 3.849 1.00 56.24 ? 124 ASN B CA 1 -ATOM 3620 C C . ASN B 2 146 ? -56.738 -42.520 4.392 1.00 60.24 ? 124 ASN B C 1 -ATOM 3621 O O . ASN B 2 146 ? -57.499 -43.479 4.215 1.00 56.22 ? 124 ASN B O 1 -ATOM 3622 C CB . ASN B 2 146 ? -57.670 -41.279 2.448 1.00 48.92 ? 124 ASN B CB 1 -ATOM 3623 C CG . ASN B 2 146 ? -58.220 -39.985 1.917 1.00 59.06 ? 124 ASN B CG 1 -ATOM 3624 O OD1 . ASN B 2 146 ? -58.897 -39.260 2.632 1.00 63.63 ? 124 ASN B OD1 1 -ATOM 3625 N ND2 . ASN B 2 146 ? -57.903 -39.666 0.669 1.00 67.55 ? 124 ASN B ND2 1 -ATOM 3626 N N . LEU B 2 147 ? -55.578 -42.616 5.034 1.00 59.27 ? 125 LEU B N 1 -ATOM 3627 C CA . LEU B 2 147 ? -55.027 -43.873 5.565 1.00 53.04 ? 125 LEU B CA 1 -ATOM 3628 C C . LEU B 2 147 ? -56.011 -44.691 6.394 1.00 54.08 ? 125 LEU B C 1 -ATOM 3629 O O . LEU B 2 147 ? -56.104 -45.911 6.272 1.00 48.86 ? 125 LEU B O 1 -ATOM 3630 C CB . LEU B 2 147 ? -53.802 -43.534 6.429 1.00 53.56 ? 125 LEU B CB 1 -ATOM 3631 C CG . LEU B 2 147 ? -52.977 -44.654 7.048 1.00 49.71 ? 125 LEU B CG 1 -ATOM 3632 C CD1 . LEU B 2 147 ? -52.551 -45.654 5.998 1.00 64.92 ? 125 LEU B CD1 1 -ATOM 3633 C CD2 . LEU B 2 147 ? -51.770 -44.078 7.698 1.00 45.38 ? 125 LEU B CD2 1 -ATOM 3634 N N . THR B 2 148 ? -56.770 -43.984 7.215 1.00 57.33 ? 126 THR B N 1 -ATOM 3635 C CA . THR B 2 148 ? -57.562 -44.604 8.249 1.00 48.82 ? 126 THR B CA 1 -ATOM 3636 C C . THR B 2 148 ? -59.012 -44.780 7.829 1.00 51.48 ? 126 THR B C 1 -ATOM 3637 O O . THR B 2 148 ? -59.847 -45.113 8.663 1.00 51.61 ? 126 THR B O 1 -ATOM 3638 C CB . THR B 2 148 ? -57.546 -43.764 9.545 1.00 52.80 ? 126 THR B CB 1 -ATOM 3639 O OG1 . THR B 2 148 ? -58.339 -42.590 9.354 1.00 46.72 ? 126 THR B OG1 1 -ATOM 3640 C CG2 . THR B 2 148 ? -56.101 -43.347 9.931 1.00 40.93 ? 126 THR B CG2 1 -ATOM 3641 N N . PHE B 2 149 ? -59.301 -44.565 6.544 1.00 55.47 ? 127 PHE B N 1 -ATOM 3642 C CA . PHE B 2 149 ? -60.656 -44.719 6.003 1.00 54.89 ? 127 PHE B CA 1 -ATOM 3643 C C . PHE B 2 149 ? -60.666 -45.855 4.981 1.00 60.62 ? 127 PHE B C 1 -ATOM 3644 O O . PHE B 2 149 ? -59.618 -46.186 4.423 1.00 50.54 ? 127 PHE B O 1 -ATOM 3645 C CB . PHE B 2 149 ? -61.152 -43.424 5.339 1.00 40.62 ? 127 PHE B CB 1 -ATOM 3646 C CG . PHE B 2 149 ? -60.950 -42.180 6.168 1.00 43.42 ? 127 PHE B CG 1 -ATOM 3647 C CD1 . PHE B 2 149 ? -61.151 -42.191 7.539 1.00 48.76 ? 127 PHE B CD1 1 -ATOM 3648 C CD2 . PHE B 2 149 ? -60.586 -40.985 5.564 1.00 57.97 ? 127 PHE B CD2 1 -ATOM 3649 C CE1 . PHE B 2 149 ? -60.975 -41.036 8.291 1.00 55.91 ? 127 PHE B CE1 1 -ATOM 3650 C CE2 . PHE B 2 149 ? -60.400 -39.821 6.310 1.00 49.02 ? 127 PHE B CE2 1 -ATOM 3651 C CZ . PHE B 2 149 ? -60.595 -39.844 7.671 1.00 55.41 ? 127 PHE B CZ 1 -ATOM 3652 N N . ASN B 2 150 ? -61.845 -46.421 4.716 1.00 56.62 ? 128 ASN B N 1 -ATOM 3653 C CA . ASN B 2 150 ? -61.982 -47.551 3.784 1.00 57.50 ? 128 ASN B CA 1 -ATOM 3654 C C . ASN B 2 150 ? -60.861 -48.594 3.895 1.00 50.81 ? 128 ASN B C 1 -ATOM 3655 O O . ASN B 2 150 ? -60.028 -48.710 2.994 1.00 60.03 ? 128 ASN B O 1 -ATOM 3656 C CB . ASN B 2 150 ? -61.991 -47.043 2.341 1.00 55.07 ? 128 ASN B CB 1 -ATOM 3657 C CG . ASN B 2 150 ? -63.049 -46.001 2.093 1.00 80.64 ? 128 ASN B CG 1 -ATOM 3658 O OD1 . ASN B 2 150 ? -64.189 -46.322 1.768 1.00 82.03 ? 128 ASN B OD1 1 -ATOM 3659 N ND2 . ASN B 2 150 ? -62.668 -44.728 2.234 1.00 71.12 ? 128 ASN B ND2 1 -ATOM 3660 N N . PRO B 2 151 ? -60.806 -49.328 5.003 1.00 48.74 ? 129 PRO B N 1 -ATOM 3661 C CA . PRO B 2 151 ? -59.746 -50.336 5.172 1.00 51.18 ? 129 PRO B CA 1 -ATOM 3662 C C . PRO B 2 151 ? -59.633 -51.284 3.978 1.00 58.22 ? 129 PRO B C 1 -ATOM 3663 O O . PRO B 2 151 ? -60.572 -52.028 3.702 1.00 65.02 ? 129 PRO B O 1 -ATOM 3664 C CB . PRO B 2 151 ? -60.180 -51.091 6.425 1.00 40.67 ? 129 PRO B CB 1 -ATOM 3665 C CG . PRO B 2 151 ? -60.969 -50.093 7.196 1.00 58.49 ? 129 PRO B CG 1 -ATOM 3666 C CD . PRO B 2 151 ? -61.659 -49.205 6.194 1.00 55.40 ? 129 PRO B CD 1 -ATOM 3667 N N . PRO B 2 152 ? -58.516 -51.212 3.246 1.00 47.98 ? 130 PRO B N 1 -ATOM 3668 C CA . PRO B 2 152 ? -58.251 -52.073 2.098 1.00 47.36 ? 130 PRO B CA 1 -ATOM 3669 C C . PRO B 2 152 ? -57.918 -53.503 2.525 1.00 49.10 ? 130 PRO B C 1 -ATOM 3670 O O . PRO B 2 152 ? -57.722 -53.765 3.703 1.00 54.40 ? 130 PRO B O 1 -ATOM 3671 C CB . PRO B 2 152 ? -57.030 -51.416 1.461 1.00 51.61 ? 130 PRO B CB 1 -ATOM 3672 C CG . PRO B 2 152 ? -56.301 -50.854 2.629 1.00 37.42 ? 130 PRO B CG 1 -ATOM 3673 C CD . PRO B 2 152 ? -57.367 -50.332 3.538 1.00 49.88 ? 130 PRO B CD 1 -ATOM 3674 N N . ILE B 2 153 ? -57.850 -54.410 1.560 1.00 52.30 ? 131 ILE B N 1 -ATOM 3675 C CA . ILE B 2 153 ? -57.480 -55.797 1.798 1.00 48.00 ? 131 ILE B CA 1 -ATOM 3676 C C . ILE B 2 153 ? -56.139 -56.037 1.167 1.00 37.30 ? 131 ILE B C 1 -ATOM 3677 O O . ILE B 2 153 ? -55.927 -55.619 0.034 1.00 46.69 ? 131 ILE B O 1 -ATOM 3678 C CB . ILE B 2 153 ? -58.540 -56.800 1.198 1.00 33.11 ? 131 ILE B CB 1 -ATOM 3679 C CG1 . ILE B 2 153 ? -59.707 -56.939 2.152 1.00 41.52 ? 131 ILE B CG1 1 -ATOM 3680 C CG2 . ILE B 2 153 ? -57.937 -58.185 1.034 1.00 49.21 ? 131 ILE B CG2 1 -ATOM 3681 C CD1 . ILE B 2 153 ? -60.728 -55.812 2.015 1.00 54.78 ? 131 ILE B CD1 1 -ATOM 3682 N N . TYR B 2 154 ? -55.247 -56.744 1.854 1.00 49.32 ? 132 TYR B N 1 -ATOM 3683 C CA . TYR B 2 154 ? -53.916 -56.964 1.301 1.00 47.59 ? 132 TYR B CA 1 -ATOM 3684 C C . TYR B 2 154 ? -53.613 -58.456 1.246 1.00 48.72 ? 132 TYR B C 1 -ATOM 3685 O O . TYR B 2 154 ? -53.628 -59.140 2.256 1.00 57.84 ? 132 TYR B O 1 -ATOM 3686 C CB . TYR B 2 154 ? -52.887 -56.163 2.122 1.00 41.89 ? 132 TYR B CB 1 -ATOM 3687 C CG . TYR B 2 154 ? -51.470 -56.096 1.577 1.00 48.02 ? 132 TYR B CG 1 -ATOM 3688 C CD1 . TYR B 2 154 ? -51.254 -55.818 0.245 1.00 52.87 ? 132 TYR B CD1 1 -ATOM 3689 C CD2 . TYR B 2 154 ? -50.365 -56.049 2.425 1.00 52.55 ? 132 TYR B CD2 1 -ATOM 3690 C CE1 . TYR B 2 154 ? -49.981 -55.682 -0.274 1.00 49.96 ? 132 TYR B CE1 1 -ATOM 3691 C CE2 . TYR B 2 154 ? -49.071 -55.891 1.912 1.00 57.01 ? 132 TYR B CE2 1 -ATOM 3692 C CZ . TYR B 2 154 ? -48.897 -55.699 0.551 1.00 44.86 ? 132 TYR B CZ 1 -ATOM 3693 O OH . TYR B 2 154 ? -47.660 -55.523 -0.041 1.00 58.58 ? 132 TYR B OH 1 -ATOM 3694 N N . GLY B 2 155 ? -53.355 -58.955 0.044 1.00 50.62 ? 133 GLY B N 1 -ATOM 3695 C CA . GLY B 2 155 ? -53.051 -60.356 -0.143 1.00 53.95 ? 133 GLY B CA 1 -ATOM 3696 C C . GLY B 2 155 ? -51.592 -60.626 0.110 1.00 50.60 ? 133 GLY B C 1 -ATOM 3697 O O . GLY B 2 155 ? -50.818 -60.881 -0.818 1.00 48.79 ? 133 GLY B O 1 -ATOM 3698 N N . ALA B 2 156 ? -51.234 -60.599 1.391 1.00 62.83 ? 134 ALA B N 1 -ATOM 3699 C CA . ALA B 2 156 ? -49.846 -60.688 1.832 1.00 52.24 ? 134 ALA B CA 1 -ATOM 3700 C C . ALA B 2 156 ? -49.465 -62.115 2.233 1.00 69.45 ? 134 ALA B C 1 -ATOM 3701 O O . ALA B 2 156 ? -50.334 -62.961 2.438 1.00 58.45 ? 134 ALA B O 1 -ATOM 3702 C CB . ALA B 2 156 ? -49.618 -59.729 2.997 1.00 59.80 ? 134 ALA B CB 1 -ATOM 3703 N N . ASP B 2 157 ? -48.162 -62.360 2.356 1.00 64.87 ? 135 ASP B N 1 -ATOM 3704 C CA . ASP B 2 157 ? -47.634 -63.632 2.832 1.00 65.90 ? 135 ASP B CA 1 -ATOM 3705 C C . ASP B 2 157 ? -48.209 -64.856 2.131 1.00 70.83 ? 135 ASP B C 1 -ATOM 3706 O O . ASP B 2 157 ? -48.806 -65.727 2.773 1.00 72.45 ? 135 ASP B O 1 -ATOM 3707 C CB . ASP B 2 157 ? -47.834 -63.761 4.343 1.00 77.56 ? 135 ASP B CB 1 -ATOM 3708 C CG . ASP B 2 157 ? -46.907 -62.844 5.130 1.00 83.79 ? 135 ASP B CG 1 -ATOM 3709 O OD1 . ASP B 2 157 ? -46.372 -61.886 4.529 1.00 86.45 ? 135 ASP B OD1 1 -ATOM 3710 O OD2 . ASP B 2 157 ? -46.701 -63.086 6.342 1.00 91.06 ? 135 ASP B OD2 1 -ATOM 3711 N N . VAL B 2 158 ? -48.033 -64.900 0.812 1.00 62.71 ? 136 VAL B N 1 -ATOM 3712 C CA . VAL B 2 158 ? -48.498 -66.005 -0.024 1.00 48.45 ? 136 VAL B CA 1 -ATOM 3713 C C . VAL B 2 158 ? -47.323 -66.808 -0.586 1.00 63.11 ? 136 VAL B C 1 -ATOM 3714 O O . VAL B 2 158 ? -46.615 -66.338 -1.487 1.00 56.23 ? 136 VAL B O 1 -ATOM 3715 C CB . VAL B 2 158 ? -49.376 -65.495 -1.192 1.00 52.42 ? 136 VAL B CB 1 -ATOM 3716 C CG1 . VAL B 2 158 ? -49.856 -66.656 -2.056 1.00 62.97 ? 136 VAL B CG1 1 -ATOM 3717 C CG2 . VAL B 2 158 ? -50.551 -64.675 -0.673 1.00 51.65 ? 136 VAL B CG2 1 -ATOM 3718 N N . ASN B 2 159 ? -47.117 -68.014 -0.056 1.00 61.94 ? 137 ASN B N 1 -ATOM 3719 C CA . ASN B 2 159 ? -46.008 -68.874 -0.476 1.00 60.82 ? 137 ASN B CA 1 -ATOM 3720 C C . ASN B 2 159 ? -46.095 -69.130 -1.972 1.00 55.89 ? 137 ASN B C 1 -ATOM 3721 O O . ASN B 2 159 ? -47.188 -69.327 -2.491 1.00 63.26 ? 137 ASN B O 1 -ATOM 3722 C CB . ASN B 2 159 ? -46.029 -70.192 0.285 1.00 70.45 ? 137 ASN B CB 1 -ATOM 3723 C CG . ASN B 2 159 ? -45.560 -70.045 1.711 1.00 65.19 ? 137 ASN B CG 1 -ATOM 3724 O OD1 . ASN B 2 159 ? -44.358 -69.985 1.985 1.00 66.32 ? 137 ASN B OD1 1 -ATOM 3725 N ND2 . ASN B 2 159 ? -46.511 -69.992 2.635 1.00 64.63 ? 137 ASN B ND2 1 -ATOM 3726 N N . GLY B 2 160 ? -44.972 -69.045 -2.681 1.00 60.80 ? 138 GLY B N 1 -ATOM 3727 C CA . GLY B 2 160 ? -45.005 -69.190 -4.127 1.00 59.15 ? 138 GLY B CA 1 -ATOM 3728 C C . GLY B 2 160 ? -44.022 -68.341 -4.914 1.00 64.29 ? 138 GLY B C 1 -ATOM 3729 O O . GLY B 2 160 ? -43.384 -67.441 -4.372 1.00 68.69 ? 138 GLY B O 1 -ATOM 3730 N N . THR B 2 161 ? -43.915 -68.634 -6.207 1.00 64.17 ? 139 THR B N 1 -ATOM 3731 C CA . THR B 2 161 ? -43.032 -67.929 -7.135 1.00 55.84 ? 139 THR B CA 1 -ATOM 3732 C C . THR B 2 161 ? -43.814 -67.655 -8.410 1.00 64.87 ? 139 THR B C 1 -ATOM 3733 O O . THR B 2 161 ? -44.834 -68.294 -8.653 1.00 67.83 ? 139 THR B O 1 -ATOM 3734 C CB . THR B 2 161 ? -41.758 -68.759 -7.464 1.00 72.12 ? 139 THR B CB 1 -ATOM 3735 O OG1 . THR B 2 161 ? -41.231 -69.328 -6.262 1.00 78.16 ? 139 THR B OG1 1 -ATOM 3736 C CG2 . THR B 2 161 ? -40.669 -67.912 -8.134 1.00 53.25 ? 139 THR B CG2 1 -ATOM 3737 N N . LEU B 2 162 ? -43.374 -66.683 -9.204 1.00 63.46 ? 140 LEU B N 1 -ATOM 3738 C CA . LEU B 2 162 ? -43.942 -66.483 -10.531 1.00 50.99 ? 140 LEU B CA 1 -ATOM 3739 C C . LEU B 2 162 ? -42.874 -66.648 -11.608 1.00 56.77 ? 140 LEU B C 1 -ATOM 3740 O O . LEU B 2 162 ? -43.166 -66.585 -12.790 1.00 69.70 ? 140 LEU B O 1 -ATOM 3741 C CB . LEU B 2 162 ? -44.601 -65.118 -10.630 1.00 52.24 ? 140 LEU B CB 1 -ATOM 3742 C CG . LEU B 2 162 ? -45.883 -64.974 -9.818 1.00 59.49 ? 140 LEU B CG 1 -ATOM 3743 C CD1 . LEU B 2 162 ? -46.584 -63.646 -10.114 1.00 60.12 ? 140 LEU B CD1 1 -ATOM 3744 C CD2 . LEU B 2 162 ? -46.806 -66.119 -10.132 1.00 62.21 ? 140 LEU B CD2 1 -ATOM 3745 N N . TYR B 2 163 ? -41.641 -66.896 -11.189 1.00 44.76 ? 141 TYR B N 1 -ATOM 3746 C CA . TYR B 2 163 ? -40.568 -67.216 -12.116 1.00 65.79 ? 141 TYR B CA 1 -ATOM 3747 C C . TYR B 2 163 ? -40.830 -68.534 -12.837 1.00 69.51 ? 141 TYR B C 1 -ATOM 3748 O O . TYR B 2 163 ? -41.181 -69.518 -12.194 1.00 64.45 ? 141 TYR B O 1 -ATOM 3749 C CB . TYR B 2 163 ? -39.233 -67.311 -11.370 1.00 64.31 ? 141 TYR B CB 1 -ATOM 3750 C CG . TYR B 2 163 ? -38.616 -65.987 -11.013 1.00 62.41 ? 141 TYR B CG 1 -ATOM 3751 C CD1 . TYR B 2 163 ? -39.164 -65.187 -10.018 1.00 67.90 ? 141 TYR B CD1 1 -ATOM 3752 C CD2 . TYR B 2 163 ? -37.471 -65.547 -11.653 1.00 61.95 ? 141 TYR B CD2 1 -ATOM 3753 C CE1 . TYR B 2 163 ? -38.595 -63.976 -9.681 1.00 67.76 ? 141 TYR B CE1 1 -ATOM 3754 C CE2 . TYR B 2 163 ? -36.896 -64.342 -11.328 1.00 70.63 ? 141 TYR B CE2 1 -ATOM 3755 C CZ . TYR B 2 163 ? -37.459 -63.559 -10.338 1.00 66.55 ? 141 TYR B CZ 1 -ATOM 3756 O OH . TYR B 2 163 ? -36.872 -62.358 -10.010 1.00 71.32 ? 141 TYR B OH 1 -ATOM 3757 N N . GLU B 2 164 ? -40.638 -68.561 -14.155 1.00 68.62 ? 142 GLU B N 1 -ATOM 3758 C CA . GLU B 2 164 ? -40.599 -69.833 -14.860 1.00 69.58 ? 142 GLU B CA 1 -ATOM 3759 C C . GLU B 2 164 ? -39.348 -70.539 -14.351 1.00 81.13 ? 142 GLU B C 1 -ATOM 3760 O O . GLU B 2 164 ? -38.344 -69.885 -14.046 1.00 74.68 ? 142 GLU B O 1 -ATOM 3761 C CB . GLU B 2 164 ? -40.572 -69.642 -16.379 1.00 62.31 ? 142 GLU B CB 1 -ATOM 3762 N N . LYS B 2 165 ? -39.397 -71.867 -14.286 1.00 70.43 ? 143 LYS B N 1 -ATOM 3763 C CA . LYS B 2 165 ? -38.357 -72.638 -13.610 1.00 74.01 ? 143 LYS B CA 1 -ATOM 3764 C C . LYS B 2 165 ? -36.983 -72.501 -14.259 1.00 68.97 ? 143 LYS B C 1 -ATOM 3765 O O . LYS B 2 165 ? -35.962 -72.696 -13.604 1.00 70.47 ? 143 LYS B O 1 -ATOM 3766 C CB . LYS B 2 165 ? -38.756 -74.121 -13.552 1.00 80.30 ? 143 LYS B CB 1 -ATOM 3767 N N A HIS B 2 166 ? -36.956 -72.133 -15.535 0.49 71.17 ? 144 HIS B N 1 -ATOM 3768 N N B HIS B 2 166 ? -36.970 -72.150 -15.542 0.51 71.17 ? 144 HIS B N 1 -ATOM 3769 C CA A HIS B 2 166 ? -35.708 -72.136 -16.289 0.49 69.46 ? 144 HIS B CA 1 -ATOM 3770 C CA B HIS B 2 166 ? -35.737 -72.123 -16.319 0.51 69.50 ? 144 HIS B CA 1 -ATOM 3771 C C A HIS B 2 166 ? -34.910 -70.846 -16.122 0.49 72.82 ? 144 HIS B C 1 -ATOM 3772 C C B HIS B 2 166 ? -34.898 -70.875 -16.057 0.51 72.83 ? 144 HIS B C 1 -ATOM 3773 O O A HIS B 2 166 ? -33.748 -70.779 -16.532 0.49 73.49 ? 144 HIS B O 1 -ATOM 3774 O O B HIS B 2 166 ? -33.693 -70.869 -16.326 0.51 73.57 ? 144 HIS B O 1 -ATOM 3775 C CB A HIS B 2 166 ? -35.991 -72.380 -17.770 0.49 71.55 ? 144 HIS B CB 1 -ATOM 3776 C CB B HIS B 2 166 ? -36.056 -72.230 -17.814 0.51 71.58 ? 144 HIS B CB 1 -ATOM 3777 C CG A HIS B 2 166 ? -36.718 -73.660 -18.042 0.49 69.23 ? 144 HIS B CG 1 -ATOM 3778 C CG B HIS B 2 166 ? -36.661 -70.991 -18.399 0.51 69.01 ? 144 HIS B CG 1 -ATOM 3779 N ND1 A HIS B 2 166 ? -38.022 -73.694 -18.485 0.49 66.35 ? 144 HIS B ND1 1 -ATOM 3780 N ND1 B HIS B 2 166 ? -37.935 -70.566 -18.089 0.51 71.72 ? 144 HIS B ND1 1 -ATOM 3781 C CD2 A HIS B 2 166 ? -36.325 -74.951 -17.921 0.49 63.52 ? 144 HIS B CD2 1 -ATOM 3782 C CD2 B HIS B 2 166 ? -36.169 -70.092 -19.284 0.51 66.56 ? 144 HIS B CD2 1 -ATOM 3783 C CE1 A HIS B 2 166 ? -38.399 -74.951 -18.636 0.49 65.98 ? 144 HIS B CE1 1 -ATOM 3784 C CE1 B HIS B 2 166 ? -38.200 -69.455 -18.754 0.51 69.34 ? 144 HIS B CE1 1 -ATOM 3785 N NE2 A HIS B 2 166 ? -37.388 -75.733 -18.301 0.49 67.30 ? 144 HIS B NE2 1 -ATOM 3786 N NE2 B HIS B 2 166 ? -37.145 -69.147 -19.487 0.51 71.54 ? 144 HIS B NE2 1 -ATOM 3787 N N . VAL B 2 167 ? -35.532 -69.828 -15.529 1.00 77.21 ? 145 VAL B N 1 -ATOM 3788 C CA . VAL B 2 167 ? -34.851 -68.543 -15.266 1.00 70.94 ? 145 VAL B CA 1 -ATOM 3789 C C . VAL B 2 167 ? -33.758 -68.645 -14.202 1.00 65.47 ? 145 VAL B C 1 -ATOM 3790 O O . VAL B 2 167 ? -34.046 -68.941 -13.044 1.00 72.58 ? 145 VAL B O 1 -ATOM 3791 C CB . VAL B 2 167 ? -35.837 -67.458 -14.799 1.00 65.75 ? 145 VAL B CB 1 -ATOM 3792 C CG1 . VAL B 2 167 ? -35.082 -66.191 -14.475 1.00 73.85 ? 145 VAL B CG1 1 -ATOM 3793 C CG2 . VAL B 2 167 ? -36.895 -67.195 -15.862 1.00 67.00 ? 145 VAL B CG2 1 -ATOM 3794 N N . ASP B 2 168 ? -32.513 -68.368 -14.574 1.00 67.14 ? 146 ASP B N 1 -ATOM 3795 C CA . ASP B 2 168 ? -31.403 -68.577 -13.645 1.00 71.95 ? 146 ASP B CA 1 -ATOM 3796 C C . ASP B 2 168 ? -30.712 -67.277 -13.182 1.00 74.97 ? 146 ASP B C 1 -ATOM 3797 O O . ASP B 2 168 ? -29.724 -67.317 -12.441 1.00 68.35 ? 146 ASP B O 1 -ATOM 3798 C CB . ASP B 2 168 ? -30.372 -69.521 -14.276 1.00 79.60 ? 146 ASP B CB 1 -ATOM 3799 N N . GLU B 2 169 ? -31.235 -66.126 -13.585 1.00 70.36 ? 147 GLU B N 1 -ATOM 3800 C CA . GLU B 2 169 ? -30.645 -64.867 -13.129 1.00 71.76 ? 147 GLU B CA 1 -ATOM 3801 C C . GLU B 2 169 ? -31.583 -64.144 -12.172 1.00 62.83 ? 147 GLU B C 1 -ATOM 3802 O O . GLU B 2 169 ? -32.708 -63.788 -12.536 1.00 57.41 ? 147 GLU B O 1 -ATOM 3803 C CB . GLU B 2 169 ? -30.307 -63.962 -14.320 1.00 63.54 ? 147 GLU B CB 1 -ATOM 3804 C CG . GLU B 2 169 ? -29.521 -64.665 -15.421 1.00 74.19 ? 147 GLU B CG 1 -ATOM 3805 C CD . GLU B 2 169 ? -30.409 -65.206 -16.541 1.00 75.68 ? 147 GLU B CD 1 -ATOM 3806 O OE1 . GLU B 2 169 ? -31.644 -65.002 -16.497 1.00 73.56 ? 147 GLU B OE1 1 -ATOM 3807 O OE2 . GLU B 2 169 ? -29.865 -65.857 -17.460 1.00 86.11 ? 147 GLU B OE2 1 -ATOM 3808 N N . TRP B 2 170 ? -31.096 -63.914 -10.956 1.00 58.61 ? 148 TRP B N 1 -ATOM 3809 C CA . TRP B 2 170 ? -31.867 -63.220 -9.934 1.00 59.26 ? 148 TRP B CA 1 -ATOM 3810 C C . TRP B 2 170 ? -33.193 -63.916 -9.675 1.00 62.11 ? 148 TRP B C 1 -ATOM 3811 O O . TRP B 2 170 ? -34.250 -63.280 -9.624 1.00 58.24 ? 148 TRP B O 1 -ATOM 3812 C CB . TRP B 2 170 ? -32.106 -61.768 -10.344 1.00 56.23 ? 148 TRP B CB 1 -ATOM 3813 C CG . TRP B 2 170 ? -30.888 -60.930 -10.273 1.00 50.13 ? 148 TRP B CG 1 -ATOM 3814 C CD1 . TRP B 2 170 ? -29.698 -61.148 -10.902 1.00 54.83 ? 148 TRP B CD1 1 -ATOM 3815 C CD2 . TRP B 2 170 ? -30.742 -59.714 -9.538 1.00 56.60 ? 148 TRP B CD2 1 -ATOM 3816 N NE1 . TRP B 2 170 ? -28.807 -60.143 -10.594 1.00 57.83 ? 148 TRP B NE1 1 -ATOM 3817 C CE2 . TRP B 2 170 ? -29.427 -59.246 -9.763 1.00 56.68 ? 148 TRP B CE2 1 -ATOM 3818 C CE3 . TRP B 2 170 ? -31.603 -58.963 -8.722 1.00 48.91 ? 148 TRP B CE3 1 -ATOM 3819 C CZ2 . TRP B 2 170 ? -28.947 -58.071 -9.188 1.00 56.81 ? 148 TRP B CZ2 1 -ATOM 3820 C CZ3 . TRP B 2 170 ? -31.126 -57.808 -8.151 1.00 53.85 ? 148 TRP B CZ3 1 -ATOM 3821 C CH2 . TRP B 2 170 ? -29.809 -57.366 -8.391 1.00 53.95 ? 148 TRP B CH2 1 -ATOM 3822 N N . ASN B 2 171 ? -33.131 -65.229 -9.501 1.00 65.71 ? 149 ASN B N 1 -ATOM 3823 C CA . ASN B 2 171 ? -34.325 -65.994 -9.210 1.00 57.15 ? 149 ASN B CA 1 -ATOM 3824 C C . ASN B 2 171 ? -34.605 -66.008 -7.723 1.00 64.56 ? 149 ASN B C 1 -ATOM 3825 O O . ASN B 2 171 ? -33.901 -66.676 -6.957 1.00 71.16 ? 149 ASN B O 1 -ATOM 3826 C CB . ASN B 2 171 ? -34.194 -67.417 -9.753 1.00 64.78 ? 149 ASN B CB 1 -ATOM 3827 C CG . ASN B 2 171 ? -35.507 -68.142 -9.751 1.00 60.94 ? 149 ASN B CG 1 -ATOM 3828 O OD1 . ASN B 2 171 ? -36.221 -68.156 -8.744 1.00 52.96 ? 149 ASN B OD1 1 -ATOM 3829 N ND2 . ASN B 2 171 ? -35.883 -68.673 -10.899 1.00 62.20 ? 149 ASN B ND2 1 -ATOM 3830 N N . ILE B 2 172 ? -35.647 -65.276 -7.328 1.00 54.42 ? 150 ILE B N 1 -ATOM 3831 C CA . ILE B 2 172 ? -35.952 -65.039 -5.919 1.00 51.83 ? 150 ILE B CA 1 -ATOM 3832 C C . ILE B 2 172 ? -36.242 -66.340 -5.160 1.00 63.85 ? 150 ILE B C 1 -ATOM 3833 O O . ILE B 2 172 ? -36.002 -66.433 -3.950 1.00 63.66 ? 150 ILE B O 1 -ATOM 3834 C CB . ILE B 2 172 ? -37.121 -64.013 -5.795 1.00 58.47 ? 150 ILE B CB 1 -ATOM 3835 C CG1 . ILE B 2 172 ? -36.593 -62.601 -6.117 1.00 61.18 ? 150 ILE B CG1 1 -ATOM 3836 C CG2 . ILE B 2 172 ? -37.745 -64.023 -4.411 1.00 55.35 ? 150 ILE B CG2 1 -ATOM 3837 C CD1 . ILE B 2 172 ? -37.606 -61.482 -5.948 1.00 55.08 ? 150 ILE B CD1 1 -ATOM 3838 N N . GLY B 2 173 ? -36.709 -67.360 -5.879 1.00 71.13 ? 151 GLY B N 1 -ATOM 3839 C CA . GLY B 2 173 ? -36.903 -68.677 -5.292 1.00 72.10 ? 151 GLY B CA 1 -ATOM 3840 C C . GLY B 2 173 ? -35.587 -69.341 -4.902 1.00 72.88 ? 151 GLY B C 1 -ATOM 3841 O O . GLY B 2 173 ? -35.478 -69.952 -3.835 1.00 71.49 ? 151 GLY B O 1 -ATOM 3842 N N . ARG B 2 174 ? -34.570 -69.190 -5.748 1.00 71.60 ? 152 ARG B N 1 -ATOM 3843 C CA . ARG B 2 174 ? -33.299 -69.865 -5.518 1.00 69.33 ? 152 ARG B CA 1 -ATOM 3844 C C . ARG B 2 174 ? -32.078 -68.978 -5.767 1.00 77.69 ? 152 ARG B C 1 -ATOM 3845 O O . ARG B 2 174 ? -31.355 -69.145 -6.750 1.00 72.97 ? 152 ARG B O 1 -ATOM 3846 C CB . ARG B 2 174 ? -33.194 -71.130 -6.395 1.00 71.86 ? 152 ARG B CB 1 -ATOM 3847 C CG . ARG B 2 174 ? -33.785 -71.024 -7.817 1.00 70.50 ? 152 ARG B CG 1 -ATOM 3848 C CD . ARG B 2 174 ? -33.100 -72.018 -8.775 1.00 65.30 ? 152 ARG B CD 1 -ATOM 3849 N NE . ARG B 2 174 ? -33.546 -71.919 -10.172 1.00 69.13 ? 152 ARG B NE 1 -ATOM 3850 C CZ . ARG B 2 174 ? -32.763 -71.640 -11.215 1.00 66.56 ? 152 ARG B CZ 1 -ATOM 3851 N NH1 . ARG B 2 174 ? -31.468 -71.386 -11.042 1.00 67.50 ? 152 ARG B NH1 1 -ATOM 3852 N NH2 . ARG B 2 174 ? -33.284 -71.601 -12.440 1.00 63.78 ? 152 ARG B NH2 1 -ATOM 3853 N N . LEU B 2 175 ? -31.850 -68.034 -4.860 1.00 85.46 ? 153 LEU B N 1 -ATOM 3854 C CA . LEU B 2 175 ? -30.686 -67.162 -4.954 1.00 66.00 ? 153 LEU B CA 1 -ATOM 3855 C C . LEU B 2 175 ? -29.513 -67.960 -4.419 1.00 80.90 ? 153 LEU B C 1 -ATOM 3856 O O . LEU B 2 175 ? -29.705 -69.004 -3.783 1.00 91.68 ? 153 LEU B O 1 -ATOM 3857 C CB . LEU B 2 175 ? -30.887 -65.868 -4.160 1.00 72.61 ? 153 LEU B CB 1 -ATOM 3858 C CG . LEU B 2 175 ? -32.000 -64.944 -4.657 1.00 60.98 ? 153 LEU B CG 1 -ATOM 3859 C CD1 . LEU B 2 175 ? -32.275 -63.821 -3.673 1.00 56.76 ? 153 LEU B CD1 1 -ATOM 3860 C CD2 . LEU B 2 175 ? -31.663 -64.392 -6.018 1.00 65.14 ? 153 LEU B CD2 1 -ATOM 3861 N N . ARG B 2 176 ? -28.298 -67.492 -4.666 1.00 75.83 ? 154 ARG B N 1 -ATOM 3862 C CA . ARG B 2 176 ? -27.133 -68.234 -4.198 1.00 81.06 ? 154 ARG B CA 1 -ATOM 3863 C C . ARG B 2 176 ? -26.509 -67.531 -3.003 1.00 86.20 ? 154 ARG B C 1 -ATOM 3864 O O . ARG B 2 176 ? -25.412 -66.986 -3.112 1.00 94.14 ? 154 ARG B O 1 -ATOM 3865 C CB . ARG B 2 176 ? -26.109 -68.386 -5.321 1.00 84.24 ? 154 ARG B CB 1 -ATOM 3866 N N . THR B 2 177 ? -27.192 -67.531 -1.860 1.00 73.74 ? 155 THR B N 1 -ATOM 3867 C CA . THR B 2 177 ? -26.637 -66.825 -0.713 1.00 70.06 ? 155 THR B CA 1 -ATOM 3868 C C . THR B 2 177 ? -26.351 -67.742 0.463 1.00 68.76 ? 155 THR B C 1 -ATOM 3869 O O . THR B 2 177 ? -26.940 -68.826 0.583 1.00 64.57 ? 155 THR B O 1 -ATOM 3870 C CB . THR B 2 177 ? -27.600 -65.695 -0.235 1.00 55.25 ? 155 THR B CB 1 -ATOM 3871 O OG1 . THR B 2 177 ? -28.847 -66.261 0.187 1.00 62.06 ? 155 THR B OG1 1 -ATOM 3872 C CG2 . THR B 2 177 ? -27.879 -64.736 -1.372 1.00 53.56 ? 155 THR B CG2 1 -ATOM 3873 N N . ILE B 2 178 ? -25.491 -67.253 1.359 1.00 57.66 ? 156 ILE B N 1 -ATOM 3874 C CA . ILE B 2 178 ? -25.054 -67.997 2.535 1.00 53.85 ? 156 ILE B CA 1 -ATOM 3875 C C . ILE B 2 178 ? -26.181 -68.251 3.510 1.00 66.05 ? 156 ILE B C 1 -ATOM 3876 O O . ILE B 2 178 ? -25.994 -68.976 4.482 1.00 67.46 ? 156 ILE B O 1 -ATOM 3877 C CB . ILE B 2 178 ? -23.918 -67.272 3.278 1.00 64.47 ? 156 ILE B CB 1 -ATOM 3878 C CG1 . ILE B 2 178 ? -24.445 -66.020 3.982 1.00 67.82 ? 156 ILE B CG1 1 -ATOM 3879 C CG2 . ILE B 2 178 ? -22.785 -66.911 2.324 1.00 61.38 ? 156 ILE B CG2 1 -ATOM 3880 C CD1 . ILE B 2 178 ? -23.378 -65.260 4.732 1.00 56.21 ? 156 ILE B CD1 1 -ATOM 3881 N N . LEU B 2 179 ? -27.335 -67.630 3.272 1.00 62.04 ? 157 LEU B N 1 -ATOM 3882 C CA . LEU B 2 179 ? -28.527 -67.894 4.082 1.00 63.03 ? 157 LEU B CA 1 -ATOM 3883 C C . LEU B 2 179 ? -29.053 -69.302 3.808 1.00 63.79 ? 157 LEU B C 1 -ATOM 3884 O O . LEU B 2 179 ? -29.822 -69.858 4.596 1.00 62.56 ? 157 LEU B O 1 -ATOM 3885 C CB . LEU B 2 179 ? -29.625 -66.868 3.790 1.00 47.17 ? 157 LEU B CB 1 -ATOM 3886 C CG . LEU B 2 179 ? -30.862 -66.921 4.679 1.00 39.85 ? 157 LEU B CG 1 -ATOM 3887 C CD1 . LEU B 2 179 ? -30.493 -66.563 6.108 1.00 42.69 ? 157 LEU B CD1 1 -ATOM 3888 C CD2 . LEU B 2 179 ? -31.974 -66.018 4.168 1.00 53.56 ? 157 LEU B CD2 1 -ATOM 3889 N N . ASP B 2 180 ? -28.645 -69.869 2.675 1.00 69.61 ? 158 ASP B N 1 -ATOM 3890 C CA . ASP B 2 180 ? -29.040 -71.229 2.317 1.00 73.69 ? 158 ASP B CA 1 -ATOM 3891 C C . ASP B 2 180 ? -28.446 -72.243 3.294 1.00 78.23 ? 158 ASP B C 1 -ATOM 3892 O O . ASP B 2 180 ? -28.896 -73.387 3.349 1.00 86.42 ? 158 ASP B O 1 -ATOM 3893 C CB . ASP B 2 180 ? -28.619 -71.554 0.881 1.00 61.66 ? 158 ASP B CB 1 -ATOM 3894 N N . LEU B 2 181 ? -27.479 -71.795 4.101 1.00 75.53 ? 159 LEU B N 1 -ATOM 3895 C CA . LEU B 2 181 ? -26.869 -72.604 5.165 1.00 75.04 ? 159 LEU B CA 1 -ATOM 3896 C C . LEU B 2 181 ? -27.848 -72.956 6.274 1.00 78.39 ? 159 LEU B C 1 -ATOM 3897 O O . LEU B 2 181 ? -27.520 -73.713 7.184 1.00 73.34 ? 159 LEU B O 1 -ATOM 3898 C CB . LEU B 2 181 ? -25.680 -71.877 5.782 1.00 64.42 ? 159 LEU B CB 1 -ATOM 3899 C CG . LEU B 2 181 ? -24.293 -72.265 5.273 1.00 79.11 ? 159 LEU B CG 1 -ATOM 3900 C CD1 . LEU B 2 181 ? -24.199 -72.025 3.770 1.00 78.07 ? 159 LEU B CD1 1 -ATOM 3901 C CD2 . LEU B 2 181 ? -23.204 -71.481 6.028 1.00 66.09 ? 159 LEU B CD2 1 -ATOM 3902 N N . VAL B 2 182 ? -29.027 -72.349 6.228 1.00 77.07 ? 160 VAL B N 1 -ATOM 3903 C CA . VAL B 2 182 ? -30.064 -72.623 7.201 1.00 77.42 ? 160 VAL B CA 1 -ATOM 3904 C C . VAL B 2 182 ? -30.756 -73.897 6.726 1.00 90.11 ? 160 VAL B C 1 -ATOM 3905 O O . VAL B 2 182 ? -31.245 -74.682 7.540 1.00 93.14 ? 160 VAL B O 1 -ATOM 3906 C CB . VAL B 2 182 ? -31.042 -71.438 7.358 1.00 65.54 ? 160 VAL B CB 1 -ATOM 3907 C CG1 . VAL B 2 182 ? -32.138 -71.770 8.333 1.00 69.16 ? 160 VAL B CG1 1 -ATOM 3908 C CG2 . VAL B 2 182 ? -30.288 -70.226 7.856 1.00 71.53 ? 160 VAL B CG2 1 -ATOM 3909 N N . GLU B 2 183 ? -30.812 -74.081 5.402 1.00 88.76 ? 161 GLU B N 1 -ATOM 3910 C CA . GLU B 2 183 ? -31.383 -75.299 4.807 1.00 94.21 ? 161 GLU B CA 1 -ATOM 3911 C C . GLU B 2 183 ? -30.343 -76.399 4.487 1.00 97.32 ? 161 GLU B C 1 -ATOM 3912 O O . GLU B 2 183 ? -30.651 -77.587 4.583 1.00 96.63 ? 161 GLU B O 1 -ATOM 3913 C CB . GLU B 2 183 ? -32.159 -74.947 3.529 1.00 76.11 ? 161 GLU B CB 1 -ATOM 3914 C CG . GLU B 2 183 ? -33.607 -74.548 3.775 1.00 84.32 ? 161 GLU B CG 1 -ATOM 3915 N N . LYS B 2 184 ? -29.125 -76.008 4.102 1.00 96.39 ? 162 LYS B N 1 -ATOM 3916 C CA . LYS B 2 184 ? -28.066 -76.975 3.774 1.00 96.48 ? 162 LYS B CA 1 -ATOM 3917 C C . LYS B 2 184 ? -27.362 -77.577 5.009 1.00 100.98 ? 162 LYS B C 1 -ATOM 3918 O O . LYS B 2 184 ? -27.030 -78.766 5.032 1.00 94.22 ? 162 LYS B O 1 -ATOM 3919 C CB . LYS B 2 184 ? -27.025 -76.324 2.856 1.00 84.68 ? 162 LYS B CB 1 -ATOM 3920 N N . GLU B 2 185 ? -27.137 -76.749 6.027 1.00 100.72 ? 163 GLU B N 1 -ATOM 3921 C CA . GLU B 2 185 ? -26.463 -77.174 7.254 1.00 93.90 ? 163 GLU B CA 1 -ATOM 3922 C C . GLU B 2 185 ? -27.426 -77.269 8.447 1.00 98.62 ? 163 GLU B C 1 -ATOM 3923 O O . GLU B 2 185 ? -26.998 -77.365 9.601 1.00 105.51 ? 163 GLU B O 1 -ATOM 3924 C CB . GLU B 2 185 ? -25.306 -76.226 7.578 1.00 85.62 ? 163 GLU B CB 1 -ATOM 3925 N N . SER B 2 186 ? -28.723 -77.187 8.163 1.00 97.53 ? 164 SER B N 1 -ATOM 3926 C CA . SER B 2 186 ? -29.762 -77.357 9.177 1.00 99.39 ? 164 SER B CA 1 -ATOM 3927 C C . SER B 2 186 ? -31.050 -77.794 8.474 1.00 102.05 ? 164 SER B C 1 -ATOM 3928 O O . SER B 2 186 ? -31.210 -77.576 7.274 1.00 98.45 ? 164 SER B O 1 -ATOM 3929 C CB . SER B 2 186 ? -29.971 -76.072 9.985 1.00 96.92 ? 164 SER B CB 1 -ATOM 3930 N N . GLY B 2 187 ? -31.964 -78.417 9.208 1.00 103.32 ? 165 GLY B N 1 -ATOM 3931 C CA . GLY B 2 187 ? -33.193 -78.892 8.600 1.00 97.59 ? 165 GLY B CA 1 -ATOM 3932 C C . GLY B 2 187 ? -34.276 -77.832 8.540 1.00 110.97 ? 165 GLY B C 1 -ATOM 3933 O O . GLY B 2 187 ? -35.421 -78.121 8.186 1.00 111.11 ? 165 GLY B O 1 -ATOM 3934 N N . ILE B 2 188 ? -33.912 -76.596 8.871 1.00 109.65 ? 166 ILE B N 1 -ATOM 3935 C CA . ILE B 2 188 ? -34.890 -75.519 8.992 1.00 102.71 ? 166 ILE B CA 1 -ATOM 3936 C C . ILE B 2 188 ? -35.167 -74.769 7.686 1.00 102.54 ? 166 ILE B C 1 -ATOM 3937 O O . ILE B 2 188 ? -34.262 -74.202 7.074 1.00 98.63 ? 166 ILE B O 1 -ATOM 3938 C CB . ILE B 2 188 ? -34.445 -74.491 10.053 1.00 95.57 ? 166 ILE B CB 1 -ATOM 3939 N N . THR B 2 189 ? -36.425 -74.802 7.255 1.00 104.82 ? 167 THR B N 1 -ATOM 3940 C CA . THR B 2 189 ? -36.898 -73.930 6.190 1.00 97.41 ? 167 THR B CA 1 -ATOM 3941 C C . THR B 2 189 ? -37.810 -72.911 6.864 1.00 95.85 ? 167 THR B C 1 -ATOM 3942 O O . THR B 2 189 ? -38.900 -73.254 7.326 1.00 98.22 ? 167 THR B O 1 -ATOM 3943 C CB . THR B 2 189 ? -37.657 -74.695 5.081 1.00 91.86 ? 167 THR B CB 1 -ATOM 3944 N N . ILE B 2 190 ? -37.362 -71.663 6.929 1.00 99.12 ? 168 ILE B N 1 -ATOM 3945 C CA . ILE B 2 190 ? -38.173 -70.597 7.514 1.00 98.57 ? 168 ILE B CA 1 -ATOM 3946 C C . ILE B 2 190 ? -38.989 -69.894 6.433 1.00 92.96 ? 168 ILE B C 1 -ATOM 3947 O O . ILE B 2 190 ? -38.439 -69.153 5.613 1.00 86.67 ? 168 ILE B O 1 -ATOM 3948 C CB . ILE B 2 190 ? -37.299 -69.559 8.252 1.00 80.17 ? 168 ILE B CB 1 -ATOM 3949 N N . GLU B 2 191 ? -40.299 -70.129 6.442 1.00 87.80 ? 169 GLU B N 1 -ATOM 3950 C CA . GLU B 2 191 ? -41.189 -69.589 5.413 1.00 93.95 ? 169 GLU B CA 1 -ATOM 3951 C C . GLU B 2 191 ? -41.127 -68.055 5.335 1.00 91.62 ? 169 GLU B C 1 -ATOM 3952 O O . GLU B 2 191 ? -41.395 -67.354 6.317 1.00 87.37 ? 169 GLU B O 1 -ATOM 3953 C CB . GLU B 2 191 ? -42.632 -70.041 5.668 1.00 93.30 ? 169 GLU B CB 1 -ATOM 3954 N N . GLY B 2 192 ? -40.792 -67.549 4.151 1.00 86.11 ? 170 GLY B N 1 -ATOM 3955 C CA . GLY B 2 192 ? -40.643 -66.121 3.935 1.00 80.49 ? 170 GLY B CA 1 -ATOM 3956 C C . GLY B 2 192 ? -39.207 -65.647 4.071 1.00 86.23 ? 170 GLY B C 1 -ATOM 3957 O O . GLY B 2 192 ? -38.837 -64.600 3.526 1.00 71.80 ? 170 GLY B O 1 -ATOM 3958 N N . VAL B 2 193 ? -38.389 -66.430 4.775 1.00 80.47 ? 171 VAL B N 1 -ATOM 3959 C CA . VAL B 2 193 ? -36.996 -66.072 4.982 1.00 66.32 ? 171 VAL B CA 1 -ATOM 3960 C C . VAL B 2 193 ? -36.147 -66.634 3.856 1.00 76.45 ? 171 VAL B C 1 -ATOM 3961 O O . VAL B 2 193 ? -35.583 -65.852 3.088 1.00 66.21 ? 171 VAL B O 1 -ATOM 3962 C CB . VAL B 2 193 ? -36.463 -66.566 6.352 1.00 83.67 ? 171 VAL B CB 1 -ATOM 3963 C CG1 . VAL B 2 193 ? -34.941 -66.441 6.432 1.00 79.03 ? 171 VAL B CG1 1 -ATOM 3964 C CG2 . VAL B 2 193 ? -37.135 -65.809 7.481 1.00 71.00 ? 171 VAL B CG2 1 -ATOM 3965 N N . ASN B 2 194 ? -36.051 -67.963 3.741 1.00 66.58 ? 172 ASN B N 1 -ATOM 3966 C CA . ASN B 2 194 ? -35.313 -68.551 2.615 1.00 76.69 ? 172 ASN B CA 1 -ATOM 3967 C C . ASN B 2 194 ? -36.226 -69.138 1.542 1.00 70.43 ? 172 ASN B C 1 -ATOM 3968 O O . ASN B 2 194 ? -35.767 -69.834 0.635 1.00 73.53 ? 172 ASN B O 1 -ATOM 3969 C CB . ASN B 2 194 ? -34.328 -69.627 3.101 1.00 79.34 ? 172 ASN B CB 1 -ATOM 3970 C CG . ASN B 2 194 ? -34.949 -70.598 4.088 1.00 80.07 ? 172 ASN B CG 1 -ATOM 3971 O OD1 . ASN B 2 194 ? -36.175 -70.707 4.196 1.00 87.09 ? 172 ASN B OD1 1 -ATOM 3972 N ND2 . ASN B 2 194 ? -34.100 -71.299 4.829 1.00 84.96 ? 172 ASN B ND2 1 -ATOM 3973 N N . THR B 2 195 ? -37.513 -68.822 1.624 1.00 62.68 ? 173 THR B N 1 -ATOM 3974 C CA . THR B 2 195 ? -38.456 -69.199 0.574 1.00 71.41 ? 173 THR B CA 1 -ATOM 3975 C C . THR B 2 195 ? -39.281 -67.994 0.134 1.00 68.31 ? 173 THR B C 1 -ATOM 3976 O O . THR B 2 195 ? -39.559 -67.095 0.948 1.00 61.14 ? 173 THR B O 1 -ATOM 3977 C CB . THR B 2 195 ? -39.415 -70.312 1.032 1.00 70.12 ? 173 THR B CB 1 -ATOM 3978 O OG1 . THR B 2 195 ? -40.373 -69.757 1.942 1.00 64.63 ? 173 THR B OG1 1 -ATOM 3979 C CG2 . THR B 2 195 ? -38.647 -71.462 1.699 1.00 65.70 ? 173 THR B CG2 1 -ATOM 3980 N N . PRO B 2 196 ? -39.693 -67.977 -1.150 1.00 68.71 ? 174 PRO B N 1 -ATOM 3981 C CA . PRO B 2 196 ? -40.389 -66.812 -1.720 1.00 49.95 ? 174 PRO B CA 1 -ATOM 3982 C C . PRO B 2 196 ? -41.792 -66.619 -1.204 1.00 59.92 ? 174 PRO B C 1 -ATOM 3983 O O . PRO B 2 196 ? -42.491 -67.581 -0.878 1.00 62.79 ? 174 PRO B O 1 -ATOM 3984 C CB . PRO B 2 196 ? -40.412 -67.109 -3.217 1.00 58.70 ? 174 PRO B CB 1 -ATOM 3985 C CG . PRO B 2 196 ? -40.220 -68.592 -3.316 1.00 63.44 ? 174 PRO B CG 1 -ATOM 3986 C CD . PRO B 2 196 ? -39.360 -68.983 -2.172 1.00 54.53 ? 174 PRO B CD 1 -ATOM 3987 N N . TYR B 2 197 ? -42.186 -65.350 -1.162 1.00 56.54 ? 175 TYR B N 1 -ATOM 3988 C CA . TYR B 2 197 ? -43.523 -64.906 -0.796 1.00 49.73 ? 175 TYR B CA 1 -ATOM 3989 C C . TYR B 2 197 ? -44.099 -63.983 -1.875 1.00 53.19 ? 175 TYR B C 1 -ATOM 3990 O O . TYR B 2 197 ? -43.360 -63.276 -2.551 1.00 63.83 ? 175 TYR B O 1 -ATOM 3991 C CB . TYR B 2 197 ? -43.485 -64.201 0.551 1.00 60.77 ? 175 TYR B CB 1 -ATOM 3992 C CG . TYR B 2 197 ? -43.788 -65.088 1.725 1.00 68.97 ? 175 TYR B CG 1 -ATOM 3993 C CD1 . TYR B 2 197 ? -43.309 -66.378 1.785 1.00 79.61 ? 175 TYR B CD1 1 -ATOM 3994 C CD2 . TYR B 2 197 ? -44.526 -64.617 2.796 1.00 82.51 ? 175 TYR B CD2 1 -ATOM 3995 C CE1 . TYR B 2 197 ? -43.593 -67.193 2.864 1.00 83.12 ? 175 TYR B CE1 1 -ATOM 3996 C CE2 . TYR B 2 197 ? -44.818 -65.422 3.880 1.00 84.71 ? 175 TYR B CE2 1 -ATOM 3997 C CZ . TYR B 2 197 ? -44.342 -66.709 3.911 1.00 88.84 ? 175 TYR B CZ 1 -ATOM 3998 O OH . TYR B 2 197 ? -44.617 -67.524 4.990 1.00 111.36 ? 175 TYR B OH 1 -ATOM 3999 N N . LEU B 2 198 ? -45.413 -64.032 -2.062 1.00 56.53 ? 176 LEU B N 1 -ATOM 4000 C CA . LEU B 2 198 ? -46.109 -63.176 -3.015 1.00 50.77 ? 176 LEU B CA 1 -ATOM 4001 C C . LEU B 2 198 ? -46.953 -62.160 -2.290 1.00 53.87 ? 176 LEU B C 1 -ATOM 4002 O O . LEU B 2 198 ? -47.607 -62.485 -1.310 1.00 62.02 ? 176 LEU B O 1 -ATOM 4003 C CB . LEU B 2 198 ? -46.999 -63.993 -3.951 1.00 50.57 ? 176 LEU B CB 1 -ATOM 4004 C CG . LEU B 2 198 ? -46.328 -64.708 -5.117 1.00 65.58 ? 176 LEU B CG 1 -ATOM 4005 C CD1 . LEU B 2 198 ? -47.351 -65.551 -5.866 1.00 53.54 ? 176 LEU B CD1 1 -ATOM 4006 C CD2 . LEU B 2 198 ? -45.695 -63.677 -6.045 1.00 52.59 ? 176 LEU B CD2 1 -ATOM 4007 N N . TYR B 2 199 ? -46.939 -60.926 -2.772 1.00 49.75 ? 177 TYR B N 1 -ATOM 4008 C CA . TYR B 2 199 ? -47.698 -59.865 -2.143 1.00 46.04 ? 177 TYR B CA 1 -ATOM 4009 C C . TYR B 2 199 ? -48.602 -59.222 -3.180 1.00 51.28 ? 177 TYR B C 1 -ATOM 4010 O O . TYR B 2 199 ? -48.140 -58.507 -4.050 1.00 52.46 ? 177 TYR B O 1 -ATOM 4011 C CB . TYR B 2 199 ? -46.765 -58.826 -1.504 1.00 50.67 ? 177 TYR B CB 1 -ATOM 4012 C CG . TYR B 2 199 ? -46.124 -59.298 -0.231 1.00 42.13 ? 177 TYR B CG 1 -ATOM 4013 C CD1 . TYR B 2 199 ? -44.936 -60.029 -0.245 1.00 50.54 ? 177 TYR B CD1 1 -ATOM 4014 C CD2 . TYR B 2 199 ? -46.717 -59.027 0.997 1.00 52.28 ? 177 TYR B CD2 1 -ATOM 4015 C CE1 . TYR B 2 199 ? -44.356 -60.474 0.934 1.00 53.41 ? 177 TYR B CE1 1 -ATOM 4016 C CE2 . TYR B 2 199 ? -46.150 -59.467 2.187 1.00 53.77 ? 177 TYR B CE2 1 -ATOM 4017 C CZ . TYR B 2 199 ? -44.964 -60.186 2.152 1.00 59.92 ? 177 TYR B CZ 1 -ATOM 4018 O OH . TYR B 2 199 ? -44.395 -60.625 3.338 1.00 60.29 ? 177 TYR B OH 1 -ATOM 4019 N N . PHE B 2 200 ? -49.891 -59.521 -3.102 1.00 52.81 ? 178 PHE B N 1 -ATOM 4020 C CA . PHE B 2 200 ? -50.876 -58.920 -3.977 1.00 47.63 ? 178 PHE B CA 1 -ATOM 4021 C C . PHE B 2 200 ? -51.456 -57.729 -3.255 1.00 54.47 ? 178 PHE B C 1 -ATOM 4022 O O . PHE B 2 200 ? -52.047 -57.888 -2.202 1.00 53.53 ? 178 PHE B O 1 -ATOM 4023 C CB . PHE B 2 200 ? -51.979 -59.918 -4.336 1.00 58.02 ? 178 PHE B CB 1 -ATOM 4024 C CG . PHE B 2 200 ? -51.489 -61.093 -5.117 1.00 58.10 ? 178 PHE B CG 1 -ATOM 4025 C CD1 . PHE B 2 200 ? -51.356 -61.018 -6.489 1.00 62.83 ? 178 PHE B CD1 1 -ATOM 4026 C CD2 . PHE B 2 200 ? -51.117 -62.259 -4.471 1.00 49.75 ? 178 PHE B CD2 1 -ATOM 4027 C CE1 . PHE B 2 200 ? -50.891 -62.090 -7.207 1.00 60.49 ? 178 PHE B CE1 1 -ATOM 4028 C CE2 . PHE B 2 200 ? -50.644 -63.329 -5.180 1.00 59.92 ? 178 PHE B CE2 1 -ATOM 4029 C CZ . PHE B 2 200 ? -50.535 -63.248 -6.551 1.00 66.46 ? 178 PHE B CZ 1 -ATOM 4030 N N . GLY B 2 201 ? -51.272 -56.533 -3.800 1.00 52.77 ? 179 GLY B N 1 -ATOM 4031 C CA . GLY B 2 201 ? -51.749 -55.344 -3.124 1.00 47.69 ? 179 GLY B CA 1 -ATOM 4032 C C . GLY B 2 201 ? -52.797 -54.564 -3.879 1.00 42.55 ? 179 GLY B C 1 -ATOM 4033 O O . GLY B 2 201 ? -52.997 -54.763 -5.061 1.00 49.68 ? 179 GLY B O 1 -ATOM 4034 N N . MET B 2 202 ? -53.482 -53.681 -3.172 1.00 47.46 ? 180 MET B N 1 -ATOM 4035 C CA . MET B 2 202 ? -54.372 -52.734 -3.801 1.00 42.92 ? 180 MET B CA 1 -ATOM 4036 C C . MET B 2 202 ? -54.090 -51.366 -3.213 1.00 49.76 ? 180 MET B C 1 -ATOM 4037 O O . MET B 2 202 ? -53.217 -51.219 -2.352 1.00 51.97 ? 180 MET B O 1 -ATOM 4038 C CB . MET B 2 202 ? -55.837 -53.105 -3.597 1.00 44.61 ? 180 MET B CB 1 -ATOM 4039 C CG . MET B 2 202 ? -56.320 -52.881 -2.188 1.00 43.46 ? 180 MET B CG 1 -ATOM 4040 S SD . MET B 2 202 ? -58.044 -53.337 -1.998 1.00 63.42 ? 180 MET B SD 1 -ATOM 4041 C CE . MET B 2 202 ? -58.017 -55.057 -2.518 1.00 52.47 ? 180 MET B CE 1 -ATOM 4042 N N . TRP B 2 203 ? -54.821 -50.369 -3.698 1.00 48.54 ? 181 TRP B N 1 -ATOM 4043 C CA . TRP B 2 203 ? -54.569 -48.992 -3.336 1.00 45.97 ? 181 TRP B CA 1 -ATOM 4044 C C . TRP B 2 203 ? -54.645 -48.829 -1.857 1.00 49.87 ? 181 TRP B C 1 -ATOM 4045 O O . TRP B 2 203 ? -55.612 -49.258 -1.236 1.00 53.06 ? 181 TRP B O 1 -ATOM 4046 C CB . TRP B 2 203 ? -55.560 -48.042 -4.007 1.00 43.58 ? 181 TRP B CB 1 -ATOM 4047 C CG . TRP B 2 203 ? -55.675 -46.717 -3.320 1.00 46.48 ? 181 TRP B CG 1 -ATOM 4048 C CD1 . TRP B 2 203 ? -56.778 -46.191 -2.723 1.00 44.74 ? 181 TRP B CD1 1 -ATOM 4049 C CD2 . TRP B 2 203 ? -54.623 -45.758 -3.136 1.00 45.92 ? 181 TRP B CD2 1 -ATOM 4050 N NE1 . TRP B 2 203 ? -56.495 -44.951 -2.202 1.00 48.68 ? 181 TRP B NE1 1 -ATOM 4051 C CE2 . TRP B 2 203 ? -55.173 -44.663 -2.438 1.00 42.08 ? 181 TRP B CE2 1 -ATOM 4052 C CE3 . TRP B 2 203 ? -53.273 -45.720 -3.499 1.00 47.03 ? 181 TRP B CE3 1 -ATOM 4053 C CZ2 . TRP B 2 203 ? -54.421 -43.540 -2.084 1.00 50.28 ? 181 TRP B CZ2 1 -ATOM 4054 C CZ3 . TRP B 2 203 ? -52.511 -44.598 -3.142 1.00 50.04 ? 181 TRP B CZ3 1 -ATOM 4055 C CH2 . TRP B 2 203 ? -53.093 -43.521 -2.439 1.00 43.85 ? 181 TRP B CH2 1 -ATOM 4056 N N . LYS B 2 204 ? -53.605 -48.208 -1.314 1.00 44.73 ? 182 LYS B N 1 -ATOM 4057 C CA . LYS B 2 204 ? -53.516 -47.855 0.092 1.00 36.02 ? 182 LYS B CA 1 -ATOM 4058 C C . LYS B 2 204 ? -53.114 -49.006 1.011 1.00 38.42 ? 182 LYS B C 1 -ATOM 4059 O O . LYS B 2 204 ? -52.995 -48.802 2.213 1.00 48.54 ? 182 LYS B O 1 -ATOM 4060 C CB . LYS B 2 204 ? -54.837 -47.245 0.571 1.00 36.12 ? 182 LYS B CB 1 -ATOM 4061 C CG . LYS B 2 204 ? -54.684 -45.882 1.217 1.00 42.48 ? 182 LYS B CG 1 -ATOM 4062 C CD . LYS B 2 204 ? -56.036 -45.185 1.327 1.00 56.40 ? 182 LYS B CD 1 -ATOM 4063 C CE . LYS B 2 204 ? -57.023 -46.074 2.016 1.00 39.89 ? 182 LYS B CE 1 -ATOM 4064 N NZ . LYS B 2 204 ? -58.347 -45.463 2.168 1.00 57.61 ? 182 LYS B NZ 1 -ATOM 4065 N N . THR B 2 205 ? -52.915 -50.215 0.501 1.00 35.11 ? 183 THR B N 1 -ATOM 4066 C CA . THR B 2 205 ? -52.359 -51.199 1.407 1.00 34.32 ? 183 THR B CA 1 -ATOM 4067 C C . THR B 2 205 ? -50.935 -50.772 1.638 1.00 43.11 ? 183 THR B C 1 -ATOM 4068 O O . THR B 2 205 ? -50.287 -50.250 0.731 1.00 40.96 ? 183 THR B O 1 -ATOM 4069 C CB . THR B 2 205 ? -52.412 -52.641 0.891 1.00 42.40 ? 183 THR B CB 1 -ATOM 4070 O OG1 . THR B 2 205 ? -51.568 -52.791 -0.252 1.00 37.89 ? 183 THR B OG1 1 -ATOM 4071 C CG2 . THR B 2 205 ? -53.871 -53.072 0.577 1.00 40.58 ? 183 THR B CG2 1 -ATOM 4072 N N . SER B 2 206 ? -50.455 -50.983 2.857 1.00 50.37 ? 184 SER B N 1 -ATOM 4073 C CA . SER B 2 206 ? -49.128 -50.543 3.239 1.00 44.14 ? 184 SER B CA 1 -ATOM 4074 C C . SER B 2 206 ? -48.381 -51.591 4.030 1.00 45.94 ? 184 SER B C 1 -ATOM 4075 O O . SER B 2 206 ? -48.951 -52.605 4.437 1.00 52.69 ? 184 SER B O 1 -ATOM 4076 C CB . SER B 2 206 ? -49.214 -49.258 4.054 1.00 40.60 ? 184 SER B CB 1 -ATOM 4077 O OG . SER B 2 206 ? -50.257 -49.282 5.021 1.00 55.95 ? 184 SER B OG 1 -ATOM 4078 N N . PHE B 2 207 ? -47.089 -51.341 4.216 1.00 43.18 ? 185 PHE B N 1 -ATOM 4079 C CA . PHE B 2 207 ? -46.260 -52.114 5.115 1.00 36.19 ? 185 PHE B CA 1 -ATOM 4080 C C . PHE B 2 207 ? -45.695 -51.126 6.111 1.00 49.33 ? 185 PHE B C 1 -ATOM 4081 O O . PHE B 2 207 ? -45.317 -50.000 5.732 1.00 42.95 ? 185 PHE B O 1 -ATOM 4082 C CB . PHE B 2 207 ? -45.162 -52.912 4.371 1.00 34.08 ? 185 PHE B CB 1 -ATOM 4083 C CG . PHE B 2 207 ? -44.436 -52.153 3.271 1.00 41.73 ? 185 PHE B CG 1 -ATOM 4084 C CD1 . PHE B 2 207 ? -45.058 -51.849 2.061 1.00 37.96 ? 185 PHE B CD1 1 -ATOM 4085 C CD2 . PHE B 2 207 ? -43.089 -51.810 3.427 1.00 44.41 ? 185 PHE B CD2 1 -ATOM 4086 C CE1 . PHE B 2 207 ? -44.372 -51.183 1.055 1.00 50.41 ? 185 PHE B CE1 1 -ATOM 4087 C CE2 . PHE B 2 207 ? -42.384 -51.137 2.429 1.00 32.83 ? 185 PHE B CE2 1 -ATOM 4088 C CZ . PHE B 2 207 ? -43.018 -50.828 1.237 1.00 42.32 ? 185 PHE B CZ 1 -ATOM 4089 N N . ALA B 2 208 ? -45.720 -51.521 7.386 1.00 41.67 ? 186 ALA B N 1 -ATOM 4090 C CA . ALA B 2 208 ? -45.301 -50.662 8.477 1.00 40.59 ? 186 ALA B CA 1 -ATOM 4091 C C . ALA B 2 208 ? -43.778 -50.581 8.562 1.00 38.77 ? 186 ALA B C 1 -ATOM 4092 O O . ALA B 2 208 ? -43.076 -51.304 7.855 1.00 39.42 ? 186 ALA B O 1 -ATOM 4093 C CB . ALA B 2 208 ? -45.874 -51.151 9.768 1.00 39.02 ? 186 ALA B CB 1 -ATOM 4094 N N . TRP B 2 209 ? -43.288 -49.700 9.434 1.00 35.68 ? 187 TRP B N 1 -ATOM 4095 C CA . TRP B 2 209 ? -41.853 -49.500 9.661 1.00 39.01 ? 187 TRP B CA 1 -ATOM 4096 C C . TRP B 2 209 ? -41.208 -50.711 10.304 1.00 38.66 ? 187 TRP B C 1 -ATOM 4097 O O . TRP B 2 209 ? -41.530 -51.039 11.438 1.00 36.07 ? 187 TRP B O 1 -ATOM 4098 C CB . TRP B 2 209 ? -41.612 -48.308 10.578 1.00 30.27 ? 187 TRP B CB 1 -ATOM 4099 C CG . TRP B 2 209 ? -41.747 -47.018 9.926 1.00 42.73 ? 187 TRP B CG 1 -ATOM 4100 C CD1 . TRP B 2 209 ? -42.804 -46.136 10.017 1.00 41.67 ? 187 TRP B CD1 1 -ATOM 4101 C CD2 . TRP B 2 209 ? -40.786 -46.413 9.074 1.00 34.16 ? 187 TRP B CD2 1 -ATOM 4102 N NE1 . TRP B 2 209 ? -42.554 -45.027 9.236 1.00 40.17 ? 187 TRP B NE1 1 -ATOM 4103 C CE2 . TRP B 2 209 ? -41.319 -45.177 8.648 1.00 48.44 ? 187 TRP B CE2 1 -ATOM 4104 C CE3 . TRP B 2 209 ? -39.535 -46.811 8.594 1.00 40.03 ? 187 TRP B CE3 1 -ATOM 4105 C CZ2 . TRP B 2 209 ? -40.625 -44.332 7.783 1.00 29.98 ? 187 TRP B CZ2 1 -ATOM 4106 C CZ3 . TRP B 2 209 ? -38.855 -45.979 7.740 1.00 38.35 ? 187 TRP B CZ3 1 -ATOM 4107 C CH2 . TRP B 2 209 ? -39.405 -44.742 7.346 1.00 41.86 ? 187 TRP B CH2 1 -ATOM 4108 N N . HIS B 2 210 ? -40.253 -51.327 9.627 1.00 41.10 ? 188 HIS B N 1 -ATOM 4109 C CA . HIS B 2 210 ? -39.609 -52.507 10.176 1.00 40.20 ? 188 HIS B CA 1 -ATOM 4110 C C . HIS B 2 210 ? -38.272 -52.667 9.502 1.00 38.53 ? 188 HIS B C 1 -ATOM 4111 O O . HIS B 2 210 ? -38.080 -52.135 8.429 1.00 39.53 ? 188 HIS B O 1 -ATOM 4112 C CB . HIS B 2 210 ? -40.458 -53.752 9.923 1.00 41.53 ? 188 HIS B CB 1 -ATOM 4113 C CG . HIS B 2 210 ? -40.572 -54.090 8.467 1.00 35.00 ? 188 HIS B CG 1 -ATOM 4114 N ND1 . HIS B 2 210 ? -41.446 -53.442 7.613 1.00 36.72 ? 188 HIS B ND1 1 -ATOM 4115 C CD2 . HIS B 2 210 ? -39.856 -54.940 7.694 1.00 39.04 ? 188 HIS B CD2 1 -ATOM 4116 C CE1 . HIS B 2 210 ? -41.289 -53.904 6.386 1.00 34.86 ? 188 HIS B CE1 1 -ATOM 4117 N NE2 . HIS B 2 210 ? -40.337 -54.826 6.411 1.00 41.88 ? 188 HIS B NE2 1 -ATOM 4118 N N . THR B 2 211 ? -37.347 -53.373 10.152 1.00 43.99 ? 189 THR B N 1 -ATOM 4119 C CA . THR B 2 211 ? -36.236 -54.025 9.468 1.00 38.37 ? 189 THR B CA 1 -ATOM 4120 C C . THR B 2 211 ? -36.609 -55.501 9.201 1.00 46.70 ? 189 THR B C 1 -ATOM 4121 O O . THR B 2 211 ? -37.626 -56.000 9.693 1.00 49.05 ? 189 THR B O 1 -ATOM 4122 C CB . THR B 2 211 ? -34.944 -53.972 10.297 1.00 41.07 ? 189 THR B CB 1 -ATOM 4123 O OG1 . THR B 2 211 ? -35.091 -54.732 11.496 1.00 41.40 ? 189 THR B OG1 1 -ATOM 4124 C CG2 . THR B 2 211 ? -34.592 -52.527 10.655 1.00 41.36 ? 189 THR B CG2 1 -ATOM 4125 N N . GLU B 2 212 ? -35.802 -56.206 8.419 1.00 49.47 ? 190 GLU B N 1 -ATOM 4126 C CA . GLU B 2 212 ? -36.124 -57.589 8.104 1.00 48.30 ? 190 GLU B CA 1 -ATOM 4127 C C . GLU B 2 212 ? -35.810 -58.477 9.304 1.00 52.30 ? 190 GLU B C 1 -ATOM 4128 O O . GLU B 2 212 ? -35.064 -58.075 10.210 1.00 46.68 ? 190 GLU B O 1 -ATOM 4129 C CB . GLU B 2 212 ? -35.368 -58.057 6.864 1.00 48.10 ? 190 GLU B CB 1 -ATOM 4130 C CG . GLU B 2 212 ? -35.715 -57.282 5.612 1.00 48.69 ? 190 GLU B CG 1 -ATOM 4131 C CD . GLU B 2 212 ? -37.212 -57.361 5.216 1.00 58.75 ? 190 GLU B CD 1 -ATOM 4132 O OE1 . GLU B 2 212 ? -37.805 -58.470 5.221 1.00 44.59 ? 190 GLU B OE1 1 -ATOM 4133 O OE2 . GLU B 2 212 ? -37.793 -56.303 4.862 1.00 40.87 ? 190 GLU B OE2 1 -ATOM 4134 N N . ASP B 2 213 ? -36.407 -59.668 9.327 1.00 54.00 ? 191 ASP B N 1 -ATOM 4135 C CA . ASP B 2 213 ? -36.168 -60.620 10.401 1.00 54.00 ? 191 ASP B CA 1 -ATOM 4136 C C . ASP B 2 213 ? -34.672 -60.901 10.454 1.00 38.97 ? 191 ASP B C 1 -ATOM 4137 O O . ASP B 2 213 ? -34.034 -61.022 9.417 1.00 44.95 ? 191 ASP B O 1 -ATOM 4138 C CB . ASP B 2 213 ? -36.964 -61.921 10.178 1.00 61.24 ? 191 ASP B CB 1 -ATOM 4139 C CG . ASP B 2 213 ? -38.448 -61.794 10.562 1.00 75.14 ? 191 ASP B CG 1 -ATOM 4140 O OD1 . ASP B 2 213 ? -38.789 -60.933 11.413 1.00 81.69 ? 191 ASP B OD1 1 -ATOM 4141 O OD2 . ASP B 2 213 ? -39.276 -62.561 10.006 1.00 69.30 ? 191 ASP B OD2 1 -ATOM 4142 N N . MET B 2 214 ? -34.118 -60.942 11.660 1.00 37.78 ? 192 MET B N 1 -ATOM 4143 C CA . MET B 2 214 ? -32.691 -61.154 11.886 1.00 48.32 ? 192 MET B CA 1 -ATOM 4144 C C . MET B 2 214 ? -31.827 -60.104 11.197 1.00 52.39 ? 192 MET B C 1 -ATOM 4145 O O . MET B 2 214 ? -30.644 -60.337 10.913 1.00 39.89 ? 192 MET B O 1 -ATOM 4146 C CB . MET B 2 214 ? -32.298 -62.558 11.421 1.00 52.09 ? 192 MET B CB 1 -ATOM 4147 C CG . MET B 2 214 ? -31.474 -63.309 12.438 1.00 67.38 ? 192 MET B CG 1 -ATOM 4148 S SD . MET B 2 214 ? -32.416 -63.622 13.944 1.00 61.98 ? 192 MET B SD 1 -ATOM 4149 C CE . MET B 2 214 ? -31.048 -63.897 15.079 1.00 60.96 ? 192 MET B CE 1 -ATOM 4150 N N . ASP B 2 215 ? -32.448 -58.963 10.908 1.00 48.81 ? 193 ASP B N 1 -ATOM 4151 C CA . ASP B 2 215 ? -31.792 -57.830 10.264 1.00 43.99 ? 193 ASP B CA 1 -ATOM 4152 C C . ASP B 2 215 ? -31.054 -58.229 9.003 1.00 50.98 ? 193 ASP B C 1 -ATOM 4153 O O . ASP B 2 215 ? -29.949 -57.744 8.728 1.00 49.31 ? 193 ASP B O 1 -ATOM 4154 C CB . ASP B 2 215 ? -30.851 -57.144 11.246 1.00 41.79 ? 193 ASP B CB 1 -ATOM 4155 C CG . ASP B 2 215 ? -31.605 -56.369 12.322 1.00 48.85 ? 193 ASP B CG 1 -ATOM 4156 O OD1 . ASP B 2 215 ? -32.837 -56.157 12.171 1.00 48.72 ? 193 ASP B OD1 1 -ATOM 4157 O OD2 . ASP B 2 215 ? -30.981 -55.996 13.336 1.00 56.30 ? 193 ASP B OD2 1 -ATOM 4158 N N . LEU B 2 216 ? -31.723 -59.070 8.216 1.00 46.05 ? 194 LEU B N 1 -ATOM 4159 C CA . LEU B 2 216 ? -31.202 -59.606 6.964 1.00 38.67 ? 194 LEU B CA 1 -ATOM 4160 C C . LEU B 2 216 ? -31.367 -58.629 5.818 1.00 43.16 ? 194 LEU B C 1 -ATOM 4161 O O . LEU B 2 216 ? -31.969 -57.568 5.985 1.00 48.24 ? 194 LEU B O 1 -ATOM 4162 C CB . LEU B 2 216 ? -31.954 -60.902 6.610 1.00 39.61 ? 194 LEU B CB 1 -ATOM 4163 C CG . LEU B 2 216 ? -31.688 -62.189 7.379 1.00 43.19 ? 194 LEU B CG 1 -ATOM 4164 C CD1 . LEU B 2 216 ? -32.884 -63.114 7.290 1.00 49.81 ? 194 LEU B CD1 1 -ATOM 4165 C CD2 . LEU B 2 216 ? -30.451 -62.862 6.801 1.00 39.91 ? 194 LEU B CD2 1 -ATOM 4166 N N . TYR B 2 217 ? -30.882 -59.010 4.637 1.00 36.34 ? 195 TYR B N 1 -ATOM 4167 C CA . TYR B 2 217 ? -31.250 -58.307 3.421 1.00 30.36 ? 195 TYR B CA 1 -ATOM 4168 C C . TYR B 2 217 ? -32.575 -58.822 2.954 1.00 45.14 ? 195 TYR B C 1 -ATOM 4169 O O . TYR B 2 217 ? -32.991 -59.927 3.321 1.00 50.75 ? 195 TYR B O 1 -ATOM 4170 C CB . TYR B 2 217 ? -30.259 -58.497 2.289 1.00 36.49 ? 195 TYR B CB 1 -ATOM 4171 C CG . TYR B 2 217 ? -28.823 -58.071 2.503 1.00 41.03 ? 195 TYR B CG 1 -ATOM 4172 C CD1 . TYR B 2 217 ? -28.014 -58.703 3.440 1.00 35.25 ? 195 TYR B CD1 1 -ATOM 4173 C CD2 . TYR B 2 217 ? -28.249 -57.105 1.686 1.00 45.29 ? 195 TYR B CD2 1 -ATOM 4174 C CE1 . TYR B 2 217 ? -26.696 -58.338 3.596 1.00 45.56 ? 195 TYR B CE1 1 -ATOM 4175 C CE2 . TYR B 2 217 ? -26.937 -56.734 1.836 1.00 48.62 ? 195 TYR B CE2 1 -ATOM 4176 C CZ . TYR B 2 217 ? -26.160 -57.346 2.790 1.00 48.20 ? 195 TYR B CZ 1 -ATOM 4177 O OH . TYR B 2 217 ? -24.848 -56.955 2.932 1.00 41.74 ? 195 TYR B OH 1 -ATOM 4178 N N . SER B 2 218 ? -33.251 -58.021 2.143 1.00 41.01 ? 196 SER B N 1 -ATOM 4179 C CA . SER B 2 218 ? -34.418 -58.500 1.446 1.00 41.96 ? 196 SER B CA 1 -ATOM 4180 C C . SER B 2 218 ? -34.300 -58.083 -0.002 1.00 50.47 ? 196 SER B C 1 -ATOM 4181 O O . SER B 2 218 ? -33.504 -57.205 -0.362 1.00 40.86 ? 196 SER B O 1 -ATOM 4182 C CB . SER B 2 218 ? -35.710 -57.988 2.085 1.00 53.70 ? 196 SER B CB 1 -ATOM 4183 O OG . SER B 2 218 ? -35.998 -56.650 1.725 1.00 56.10 ? 196 SER B OG 1 -ATOM 4184 N N . ILE B 2 219 ? -35.061 -58.772 -0.832 1.00 38.71 ? 197 ILE B N 1 -ATOM 4185 C CA . ILE B 2 219 ? -35.167 -58.481 -2.236 1.00 33.70 ? 197 ILE B CA 1 -ATOM 4186 C C . ILE B 2 219 ? -36.662 -58.454 -2.522 1.00 44.25 ? 197 ILE B C 1 -ATOM 4187 O O . ILE B 2 219 ? -37.423 -59.190 -1.885 1.00 54.51 ? 197 ILE B O 1 -ATOM 4188 C CB . ILE B 2 219 ? -34.386 -59.527 -3.071 1.00 46.13 ? 197 ILE B CB 1 -ATOM 4189 C CG1 . ILE B 2 219 ? -34.291 -59.103 -4.524 1.00 52.27 ? 197 ILE B CG1 1 -ATOM 4190 C CG2 . ILE B 2 219 ? -34.989 -60.936 -2.911 1.00 52.06 ? 197 ILE B CG2 1 -ATOM 4191 C CD1 . ILE B 2 219 ? -33.697 -60.168 -5.393 1.00 52.03 ? 197 ILE B CD1 1 -ATOM 4192 N N . ASN B 2 220 ? -37.101 -57.570 -3.413 1.00 47.69 ? 198 ASN B N 1 -ATOM 4193 C CA . ASN B 2 220 ? -38.528 -57.390 -3.701 1.00 44.81 ? 198 ASN B CA 1 -ATOM 4194 C C . ASN B 2 220 ? -38.641 -57.042 -5.177 1.00 48.19 ? 198 ASN B C 1 -ATOM 4195 O O . ASN B 2 220 ? -38.125 -56.013 -5.624 1.00 53.58 ? 198 ASN B O 1 -ATOM 4196 C CB . ASN B 2 220 ? -39.132 -56.296 -2.785 1.00 38.99 ? 198 ASN B CB 1 -ATOM 4197 C CG . ASN B 2 220 ? -40.667 -56.084 -2.965 1.00 47.74 ? 198 ASN B CG 1 -ATOM 4198 O OD1 . ASN B 2 220 ? -41.147 -55.721 -4.041 1.00 40.94 ? 198 ASN B OD1 1 -ATOM 4199 N ND2 . ASN B 2 220 ? -41.409 -56.184 -1.859 1.00 39.63 ? 198 ASN B ND2 1 -ATOM 4200 N N . TYR B 2 221 ? -39.309 -57.903 -5.939 1.00 47.40 ? 199 TYR B N 1 -ATOM 4201 C CA . TYR B 2 221 ? -39.504 -57.686 -7.372 1.00 40.76 ? 199 TYR B CA 1 -ATOM 4202 C C . TYR B 2 221 ? -40.959 -57.419 -7.647 1.00 40.31 ? 199 TYR B C 1 -ATOM 4203 O O . TYR B 2 221 ? -41.806 -58.068 -7.062 1.00 54.34 ? 199 TYR B O 1 -ATOM 4204 C CB . TYR B 2 221 ? -38.997 -58.883 -8.203 1.00 42.79 ? 199 TYR B CB 1 -ATOM 4205 C CG . TYR B 2 221 ? -39.222 -58.700 -9.677 1.00 52.90 ? 199 TYR B CG 1 -ATOM 4206 C CD1 . TYR B 2 221 ? -38.437 -57.819 -10.423 1.00 55.67 ? 199 TYR B CD1 1 -ATOM 4207 C CD2 . TYR B 2 221 ? -40.250 -59.371 -10.323 1.00 47.51 ? 199 TYR B CD2 1 -ATOM 4208 C CE1 . TYR B 2 221 ? -38.674 -57.631 -11.784 1.00 50.83 ? 199 TYR B CE1 1 -ATOM 4209 C CE2 . TYR B 2 221 ? -40.486 -59.195 -11.677 1.00 47.71 ? 199 TYR B CE2 1 -ATOM 4210 C CZ . TYR B 2 221 ? -39.697 -58.329 -12.402 1.00 56.27 ? 199 TYR B CZ 1 -ATOM 4211 O OH . TYR B 2 221 ? -39.943 -58.170 -13.750 1.00 62.10 ? 199 TYR B OH 1 -ATOM 4212 N N . LEU B 2 222 ? -41.256 -56.427 -8.487 1.00 42.63 ? 200 LEU B N 1 -ATOM 4213 C CA . LEU B 2 222 ? -42.649 -56.039 -8.777 1.00 47.82 ? 200 LEU B CA 1 -ATOM 4214 C C . LEU B 2 222 ? -43.125 -56.607 -10.123 1.00 49.73 ? 200 LEU B C 1 -ATOM 4215 O O . LEU B 2 222 ? -42.872 -56.039 -11.188 1.00 52.73 ? 200 LEU B O 1 -ATOM 4216 C CB . LEU B 2 222 ? -42.804 -54.504 -8.743 1.00 48.12 ? 200 LEU B CB 1 -ATOM 4217 C CG . LEU B 2 222 ? -44.231 -53.952 -8.853 1.00 48.60 ? 200 LEU B CG 1 -ATOM 4218 C CD1 . LEU B 2 222 ? -45.124 -54.599 -7.825 1.00 48.27 ? 200 LEU B CD1 1 -ATOM 4219 C CD2 . LEU B 2 222 ? -44.273 -52.406 -8.673 1.00 50.43 ? 200 LEU B CD2 1 -ATOM 4220 N N . HIS B 2 223 ? -43.785 -57.756 -10.073 1.00 56.93 ? 201 HIS B N 1 -ATOM 4221 C CA . HIS B 2 223 ? -44.173 -58.481 -11.285 1.00 53.08 ? 201 HIS B CA 1 -ATOM 4222 C C . HIS B 2 223 ? -45.039 -57.659 -12.253 1.00 40.41 ? 201 HIS B C 1 -ATOM 4223 O O . HIS B 2 223 ? -44.798 -57.641 -13.459 1.00 48.34 ? 201 HIS B O 1 -ATOM 4224 C CB . HIS B 2 223 ? -44.881 -59.775 -10.879 1.00 47.00 ? 201 HIS B CB 1 -ATOM 4225 C CG . HIS B 2 223 ? -43.933 -60.862 -10.489 1.00 46.21 ? 201 HIS B CG 1 -ATOM 4226 N ND1 . HIS B 2 223 ? -42.868 -61.239 -11.281 1.00 51.61 ? 201 HIS B ND1 1 -ATOM 4227 C CD2 . HIS B 2 223 ? -43.832 -61.589 -9.355 1.00 41.97 ? 201 HIS B CD2 1 -ATOM 4228 C CE1 . HIS B 2 223 ? -42.175 -62.178 -10.668 1.00 50.61 ? 201 HIS B CE1 1 -ATOM 4229 N NE2 . HIS B 2 223 ? -42.745 -62.417 -9.500 1.00 54.93 ? 201 HIS B NE2 1 -ATOM 4230 N N . PHE B 2 224 ? -46.057 -56.999 -11.733 1.00 41.54 ? 202 PHE B N 1 -ATOM 4231 C CA . PHE B 2 224 ? -46.934 -56.235 -12.591 1.00 47.25 ? 202 PHE B CA 1 -ATOM 4232 C C . PHE B 2 224 ? -47.786 -55.257 -11.824 1.00 47.70 ? 202 PHE B C 1 -ATOM 4233 O O . PHE B 2 224 ? -47.729 -55.183 -10.611 1.00 53.99 ? 202 PHE B O 1 -ATOM 4234 C CB . PHE B 2 224 ? -47.838 -57.173 -13.390 1.00 54.47 ? 202 PHE B CB 1 -ATOM 4235 C CG . PHE B 2 224 ? -48.707 -58.050 -12.540 1.00 53.08 ? 202 PHE B CG 1 -ATOM 4236 C CD1 . PHE B 2 224 ? -49.892 -57.571 -12.002 1.00 53.97 ? 202 PHE B CD1 1 -ATOM 4237 C CD2 . PHE B 2 224 ? -48.336 -59.366 -12.285 1.00 55.82 ? 202 PHE B CD2 1 -ATOM 4238 C CE1 . PHE B 2 224 ? -50.702 -58.393 -11.235 1.00 53.52 ? 202 PHE B CE1 1 -ATOM 4239 C CE2 . PHE B 2 224 ? -49.147 -60.198 -11.521 1.00 52.18 ? 202 PHE B CE2 1 -ATOM 4240 C CZ . PHE B 2 224 ? -50.325 -59.703 -10.992 1.00 57.59 ? 202 PHE B CZ 1 -ATOM 4241 N N . GLY B 2 225 ? -48.594 -54.511 -12.556 1.00 44.83 ? 203 GLY B N 1 -ATOM 4242 C CA . GLY B 2 225 ? -49.594 -53.667 -11.948 1.00 50.18 ? 203 GLY B CA 1 -ATOM 4243 C C . GLY B 2 225 ? -48.971 -52.353 -11.584 1.00 58.52 ? 203 GLY B C 1 -ATOM 4244 O O . GLY B 2 225 ? -47.823 -52.091 -11.967 1.00 46.81 ? 203 GLY B O 1 -ATOM 4245 N N . GLU B 2 226 ? -49.698 -51.593 -10.767 1.00 44.02 ? 204 GLU B N 1 -ATOM 4246 C CA . GLU B 2 226 ? -49.369 -50.227 -10.438 1.00 47.67 ? 204 GLU B CA 1 -ATOM 4247 C C . GLU B 2 226 ? -48.172 -50.128 -9.479 1.00 57.86 ? 204 GLU B C 1 -ATOM 4248 O O . GLU B 2 226 ? -47.785 -51.116 -8.859 1.00 59.26 ? 204 GLU B O 1 -ATOM 4249 C CB . GLU B 2 226 ? -50.623 -49.562 -9.876 1.00 48.66 ? 204 GLU B CB 1 -ATOM 4250 C CG . GLU B 2 226 ? -51.639 -49.279 -10.983 1.00 53.75 ? 204 GLU B CG 1 -ATOM 4251 C CD . GLU B 2 226 ? -52.627 -48.178 -10.638 1.00 78.92 ? 204 GLU B CD 1 -ATOM 4252 O OE1 . GLU B 2 226 ? -52.189 -47.008 -10.454 1.00 77.62 ? 204 GLU B OE1 1 -ATOM 4253 O OE2 . GLU B 2 226 ? -53.844 -48.485 -10.546 1.00 77.33 ? 204 GLU B OE2 1 -ATOM 4254 N N . PRO B 2 227 ? -47.557 -48.937 -9.375 1.00 60.35 ? 205 PRO B N 1 -ATOM 4255 C CA . PRO B 2 227 ? -46.334 -48.859 -8.557 1.00 48.72 ? 205 PRO B CA 1 -ATOM 4256 C C . PRO B 2 227 ? -46.487 -49.113 -7.029 1.00 52.12 ? 205 PRO B C 1 -ATOM 4257 O O . PRO B 2 227 ? -47.569 -49.169 -6.423 1.00 48.04 ? 205 PRO B O 1 -ATOM 4258 C CB . PRO B 2 227 ? -45.847 -47.417 -8.804 1.00 51.89 ? 205 PRO B CB 1 -ATOM 4259 C CG . PRO B 2 227 ? -46.515 -46.987 -10.111 1.00 49.14 ? 205 PRO B CG 1 -ATOM 4260 C CD . PRO B 2 227 ? -47.843 -47.668 -10.079 1.00 51.06 ? 205 PRO B CD 1 -ATOM 4261 N N . LYS B 2 228 ? -45.325 -49.248 -6.408 1.00 42.72 ? 206 LYS B N 1 -ATOM 4262 C CA . LYS B 2 228 ? -45.188 -49.420 -4.978 1.00 46.01 ? 206 LYS B CA 1 -ATOM 4263 C C . LYS B 2 228 ? -44.228 -48.342 -4.470 1.00 41.59 ? 206 LYS B C 1 -ATOM 4264 O O . LYS B 2 228 ? -43.135 -48.234 -4.994 1.00 41.94 ? 206 LYS B O 1 -ATOM 4265 C CB . LYS B 2 228 ? -44.658 -50.830 -4.685 1.00 30.44 ? 206 LYS B CB 1 -ATOM 4266 C CG . LYS B 2 228 ? -44.517 -51.180 -3.243 1.00 38.10 ? 206 LYS B CG 1 -ATOM 4267 C CD . LYS B 2 228 ? -43.742 -52.506 -3.106 1.00 54.89 ? 206 LYS B CD 1 -ATOM 4268 C CE . LYS B 2 228 ? -44.646 -53.703 -3.452 1.00 43.27 ? 206 LYS B CE 1 -ATOM 4269 N NZ . LYS B 2 228 ? -45.713 -53.736 -2.423 1.00 35.26 ? 206 LYS B NZ 1 -ATOM 4270 N N . SER B 2 229 ? -44.629 -47.544 -3.479 1.00 48.26 ? 207 SER B N 1 -ATOM 4271 C CA . SER B 2 229 ? -43.758 -46.473 -2.944 1.00 42.74 ? 207 SER B CA 1 -ATOM 4272 C C . SER B 2 229 ? -43.114 -46.840 -1.617 1.00 44.09 ? 207 SER B C 1 -ATOM 4273 O O . SER B 2 229 ? -43.758 -47.419 -0.760 1.00 44.36 ? 207 SER B O 1 -ATOM 4274 C CB . SER B 2 229 ? -44.537 -45.170 -2.743 1.00 46.96 ? 207 SER B CB 1 -ATOM 4275 O OG . SER B 2 229 ? -44.907 -44.586 -3.977 1.00 55.11 ? 207 SER B OG 1 -ATOM 4276 N N . TRP B 2 230 ? -41.855 -46.438 -1.439 1.00 41.68 ? 208 TRP B N 1 -ATOM 4277 C CA . TRP B 2 230 ? -41.042 -46.848 -0.299 1.00 43.66 ? 208 TRP B CA 1 -ATOM 4278 C C . TRP B 2 230 ? -40.481 -45.624 0.434 1.00 44.96 ? 208 TRP B C 1 -ATOM 4279 O O . TRP B 2 230 ? -40.116 -44.669 -0.195 1.00 35.14 ? 208 TRP B O 1 -ATOM 4280 C CB . TRP B 2 230 ? -39.861 -47.715 -0.753 1.00 32.81 ? 208 TRP B CB 1 -ATOM 4281 C CG . TRP B 2 230 ? -40.193 -48.994 -1.430 1.00 44.92 ? 208 TRP B CG 1 -ATOM 4282 C CD1 . TRP B 2 230 ? -40.804 -49.148 -2.627 1.00 47.86 ? 208 TRP B CD1 1 -ATOM 4283 C CD2 . TRP B 2 230 ? -39.863 -50.321 -0.972 1.00 51.67 ? 208 TRP B CD2 1 -ATOM 4284 N NE1 . TRP B 2 230 ? -40.892 -50.486 -2.951 1.00 47.13 ? 208 TRP B NE1 1 -ATOM 4285 C CE2 . TRP B 2 230 ? -40.322 -51.223 -1.946 1.00 38.64 ? 208 TRP B CE2 1 -ATOM 4286 C CE3 . TRP B 2 230 ? -39.228 -50.823 0.165 1.00 50.15 ? 208 TRP B CE3 1 -ATOM 4287 C CZ2 . TRP B 2 230 ? -40.203 -52.595 -1.806 1.00 43.70 ? 208 TRP B CZ2 1 -ATOM 4288 C CZ3 . TRP B 2 230 ? -39.095 -52.187 0.296 1.00 42.68 ? 208 TRP B CZ3 1 -ATOM 4289 C CH2 . TRP B 2 230 ? -39.582 -53.057 -0.685 1.00 50.25 ? 208 TRP B CH2 1 -ATOM 4290 N N . TYR B 2 231 ? -40.412 -45.692 1.758 1.00 44.72 ? 209 TYR B N 1 -ATOM 4291 C CA . TYR B 2 231 ? -39.635 -44.786 2.569 1.00 33.89 ? 209 TYR B CA 1 -ATOM 4292 C C . TYR B 2 231 ? -38.557 -45.602 3.287 1.00 48.22 ? 209 TYR B C 1 -ATOM 4293 O O . TYR B 2 231 ? -38.755 -46.786 3.597 1.00 39.91 ? 209 TYR B O 1 -ATOM 4294 C CB . TYR B 2 231 ? -40.492 -44.069 3.606 1.00 34.26 ? 209 TYR B CB 1 -ATOM 4295 C CG . TYR B 2 231 ? -41.687 -43.341 3.041 1.00 41.06 ? 209 TYR B CG 1 -ATOM 4296 C CD1 . TYR B 2 231 ? -42.899 -43.979 2.906 1.00 39.37 ? 209 TYR B CD1 1 -ATOM 4297 C CD2 . TYR B 2 231 ? -41.598 -42.009 2.644 1.00 45.73 ? 209 TYR B CD2 1 -ATOM 4298 C CE1 . TYR B 2 231 ? -44.005 -43.315 2.399 1.00 53.49 ? 209 TYR B CE1 1 -ATOM 4299 C CE2 . TYR B 2 231 ? -42.698 -41.339 2.140 1.00 43.98 ? 209 TYR B CE2 1 -ATOM 4300 C CZ . TYR B 2 231 ? -43.898 -41.992 2.022 1.00 45.68 ? 209 TYR B CZ 1 -ATOM 4301 O OH . TYR B 2 231 ? -44.995 -41.337 1.499 1.00 46.17 ? 209 TYR B OH 1 -ATOM 4302 N N . SER B 2 232 ? -37.441 -44.957 3.597 1.00 30.70 ? 210 SER B N 1 -ATOM 4303 C CA . SER B 2 232 ? -36.272 -45.671 4.118 1.00 41.40 ? 210 SER B CA 1 -ATOM 4304 C C . SER B 2 232 ? -35.426 -44.795 5.079 1.00 45.92 ? 210 SER B C 1 -ATOM 4305 O O . SER B 2 232 ? -35.134 -43.646 4.771 1.00 44.10 ? 210 SER B O 1 -ATOM 4306 C CB . SER B 2 232 ? -35.455 -46.162 2.920 1.00 41.50 ? 210 SER B CB 1 -ATOM 4307 O OG . SER B 2 232 ? -34.082 -46.366 3.219 1.00 59.40 ? 210 SER B OG 1 -ATOM 4308 N N . VAL B 2 233 ? -35.063 -45.328 6.249 1.00 38.02 ? 211 VAL B N 1 -ATOM 4309 C CA . VAL B 2 233 ? -34.164 -44.629 7.166 1.00 37.38 ? 211 VAL B CA 1 -ATOM 4310 C C . VAL B 2 233 ? -32.818 -45.355 7.148 1.00 50.85 ? 211 VAL B C 1 -ATOM 4311 O O . VAL B 2 233 ? -32.752 -46.560 7.420 1.00 48.92 ? 211 VAL B O 1 -ATOM 4312 C CB . VAL B 2 233 ? -34.697 -44.569 8.638 1.00 45.77 ? 211 VAL B CB 1 -ATOM 4313 C CG1 . VAL B 2 233 ? -33.645 -44.037 9.583 1.00 38.28 ? 211 VAL B CG1 1 -ATOM 4314 C CG2 . VAL B 2 233 ? -35.958 -43.716 8.754 1.00 45.00 ? 211 VAL B CG2 1 -ATOM 4315 N N . PRO B 2 234 ? -31.739 -44.614 6.857 1.00 44.88 ? 212 PRO B N 1 -ATOM 4316 C CA . PRO B 2 234 ? -30.395 -45.181 6.735 1.00 47.17 ? 212 PRO B CA 1 -ATOM 4317 C C . PRO B 2 234 ? -30.049 -45.963 7.972 1.00 45.75 ? 212 PRO B C 1 -ATOM 4318 O O . PRO B 2 234 ? -30.480 -45.577 9.062 1.00 48.09 ? 212 PRO B O 1 -ATOM 4319 C CB . PRO B 2 234 ? -29.492 -43.946 6.587 1.00 48.73 ? 212 PRO B CB 1 -ATOM 4320 C CG . PRO B 2 234 ? -30.410 -42.889 6.025 1.00 44.30 ? 212 PRO B CG 1 -ATOM 4321 C CD . PRO B 2 234 ? -31.742 -43.154 6.669 1.00 41.09 ? 212 PRO B CD 1 -ATOM 4322 N N . PRO B 2 235 ? -29.355 -47.093 7.808 1.00 45.53 ? 213 PRO B N 1 -ATOM 4323 C CA . PRO B 2 235 ? -28.959 -47.895 8.965 1.00 44.52 ? 213 PRO B CA 1 -ATOM 4324 C C . PRO B 2 235 ? -28.264 -47.080 10.055 1.00 48.68 ? 213 PRO B C 1 -ATOM 4325 O O . PRO B 2 235 ? -28.521 -47.326 11.233 1.00 44.98 ? 213 PRO B O 1 -ATOM 4326 C CB . PRO B 2 235 ? -27.996 -48.914 8.355 1.00 35.16 ? 213 PRO B CB 1 -ATOM 4327 C CG . PRO B 2 235 ? -28.515 -49.113 7.002 1.00 45.98 ? 213 PRO B CG 1 -ATOM 4328 C CD . PRO B 2 235 ? -29.067 -47.784 6.545 1.00 46.05 ? 213 PRO B CD 1 -ATOM 4329 N N . GLU B 2 236 ? -27.425 -46.112 9.681 1.00 44.63 ? 214 GLU B N 1 -ATOM 4330 C CA . GLU B 2 236 ? -26.667 -45.384 10.698 1.00 50.11 ? 214 GLU B CA 1 -ATOM 4331 C C . GLU B 2 236 ? -27.546 -44.427 11.504 1.00 49.54 ? 214 GLU B C 1 -ATOM 4332 O O . GLU B 2 236 ? -27.089 -43.874 12.507 1.00 52.32 ? 214 GLU B O 1 -ATOM 4333 C CB . GLU B 2 236 ? -25.476 -44.637 10.069 1.00 61.50 ? 214 GLU B CB 1 -ATOM 4334 C CG . GLU B 2 236 ? -25.805 -43.629 8.973 1.00 54.39 ? 214 GLU B CG 1 -ATOM 4335 C CD . GLU B 2 236 ? -24.704 -43.522 7.905 1.00 67.66 ? 214 GLU B CD 1 -ATOM 4336 O OE1 . GLU B 2 236 ? -23.714 -42.786 8.136 1.00 81.20 ? 214 GLU B OE1 1 -ATOM 4337 O OE2 . GLU B 2 236 ? -24.833 -44.154 6.825 1.00 59.00 ? 214 GLU B OE2 1 -ATOM 4338 N N . HIS B 2 237 ? -28.802 -44.233 11.087 1.00 48.85 ? 215 HIS B N 1 -ATOM 4339 C CA . HIS B 2 237 ? -29.741 -43.440 11.893 1.00 43.24 ? 215 HIS B CA 1 -ATOM 4340 C C . HIS B 2 237 ? -30.950 -44.259 12.357 1.00 54.76 ? 215 HIS B C 1 -ATOM 4341 O O . HIS B 2 237 ? -31.925 -43.712 12.884 1.00 49.85 ? 215 HIS B O 1 -ATOM 4342 C CB . HIS B 2 237 ? -30.210 -42.196 11.129 1.00 48.28 ? 215 HIS B CB 1 -ATOM 4343 C CG . HIS B 2 237 ? -29.112 -41.210 10.849 1.00 50.30 ? 215 HIS B CG 1 -ATOM 4344 N ND1 . HIS B 2 237 ? -28.620 -40.351 11.808 1.00 59.10 ? 215 HIS B ND1 1 -ATOM 4345 C CD2 . HIS B 2 237 ? -28.448 -40.914 9.705 1.00 49.94 ? 215 HIS B CD2 1 -ATOM 4346 C CE1 . HIS B 2 237 ? -27.677 -39.592 11.276 1.00 64.20 ? 215 HIS B CE1 1 -ATOM 4347 N NE2 . HIS B 2 237 ? -27.556 -39.912 10.000 1.00 60.87 ? 215 HIS B NE2 1 -ATOM 4348 N N . GLY B 2 238 ? -30.888 -45.570 12.156 1.00 52.92 ? 216 GLY B N 1 -ATOM 4349 C CA . GLY B 2 238 ? -31.964 -46.444 12.588 1.00 50.87 ? 216 GLY B CA 1 -ATOM 4350 C C . GLY B 2 238 ? -32.312 -46.347 14.065 1.00 47.11 ? 216 GLY B C 1 -ATOM 4351 O O . GLY B 2 238 ? -33.499 -46.313 14.424 1.00 46.75 ? 216 GLY B O 1 -ATOM 4352 N N . LYS B 2 239 ? -31.292 -46.262 14.920 1.00 55.64 ? 217 LYS B N 1 -ATOM 4353 C CA . LYS B 2 239 ? -31.495 -46.141 16.372 1.00 56.81 ? 217 LYS B CA 1 -ATOM 4354 C C . LYS B 2 239 ? -32.316 -44.911 16.749 1.00 55.88 ? 217 LYS B C 1 -ATOM 4355 O O . LYS B 2 239 ? -33.057 -44.930 17.732 1.00 56.46 ? 217 LYS B O 1 -ATOM 4356 C CB . LYS B 2 239 ? -30.156 -46.083 17.093 1.00 59.56 ? 217 LYS B CB 1 -ATOM 4357 C CG . LYS B 2 239 ? -29.559 -47.433 17.425 1.00 63.59 ? 217 LYS B CG 1 -ATOM 4358 C CD . LYS B 2 239 ? -30.288 -48.045 18.597 1.00 74.28 ? 217 LYS B CD 1 -ATOM 4359 C CE . LYS B 2 239 ? -29.770 -49.430 18.921 1.00 68.69 ? 217 LYS B CE 1 -ATOM 4360 N NZ . LYS B 2 239 ? -30.602 -50.047 19.996 1.00 78.40 ? 217 LYS B NZ 1 -ATOM 4361 N N . ARG B 2 240 ? -32.190 -43.856 15.945 1.00 49.89 ? 218 ARG B N 1 -ATOM 4362 C CA . ARG B 2 240 ? -32.921 -42.612 16.177 1.00 59.43 ? 218 ARG B CA 1 -ATOM 4363 C C . ARG B 2 240 ? -34.407 -42.843 15.954 1.00 52.41 ? 218 ARG B C 1 -ATOM 4364 O O . ARG B 2 240 ? -35.220 -42.363 16.732 1.00 54.74 ? 218 ARG B O 1 -ATOM 4365 C CB . ARG B 2 240 ? -32.421 -41.490 15.261 1.00 47.05 ? 218 ARG B CB 1 -ATOM 4366 C CG . ARG B 2 240 ? -30.984 -41.141 15.521 1.00 61.54 ? 218 ARG B CG 1 -ATOM 4367 C CD . ARG B 2 240 ? -30.442 -40.050 14.618 1.00 61.41 ? 218 ARG B CD 1 -ATOM 4368 N NE . ARG B 2 240 ? -31.042 -38.753 14.893 1.00 70.37 ? 218 ARG B NE 1 -ATOM 4369 C CZ . ARG B 2 240 ? -30.558 -37.611 14.422 1.00 73.30 ? 218 ARG B CZ 1 -ATOM 4370 N NH1 . ARG B 2 240 ? -29.452 -37.618 13.687 1.00 67.16 ? 218 ARG B NH1 1 -ATOM 4371 N NH2 . ARG B 2 240 ? -31.148 -36.464 14.720 1.00 78.89 ? 218 ARG B NH2 1 -ATOM 4372 N N . LEU B 2 241 ? -34.761 -43.597 14.911 1.00 52.20 ? 219 LEU B N 1 -ATOM 4373 C CA . LEU B 2 241 ? -36.160 -43.926 14.688 1.00 44.84 ? 219 LEU B CA 1 -ATOM 4374 C C . LEU B 2 241 ? -36.726 -44.707 15.872 1.00 49.76 ? 219 LEU B C 1 -ATOM 4375 O O . LEU B 2 241 ? -37.850 -44.433 16.300 1.00 48.78 ? 219 LEU B O 1 -ATOM 4376 C CB . LEU B 2 241 ? -36.339 -44.714 13.390 1.00 53.37 ? 219 LEU B CB 1 -ATOM 4377 C CG . LEU B 2 241 ? -37.788 -45.054 12.981 1.00 45.23 ? 219 LEU B CG 1 -ATOM 4378 C CD1 . LEU B 2 241 ? -38.468 -43.854 12.375 1.00 46.61 ? 219 LEU B CD1 1 -ATOM 4379 C CD2 . LEU B 2 241 ? -37.802 -46.177 11.996 1.00 48.10 ? 219 LEU B CD2 1 -ATOM 4380 N N . GLU B 2 242 ? -35.919 -45.611 16.447 1.00 55.89 ? 220 GLU B N 1 -ATOM 4381 C CA . GLU B 2 242 ? -36.342 -46.465 17.570 1.00 53.41 ? 220 GLU B CA 1 -ATOM 4382 C C . GLU B 2 242 ? -36.518 -45.654 18.839 1.00 58.42 ? 220 GLU B C 1 -ATOM 4383 O O . GLU B 2 242 ? -37.430 -45.897 19.624 1.00 58.99 ? 220 GLU B O 1 -ATOM 4384 C CB . GLU B 2 242 ? -35.335 -47.608 17.830 1.00 52.88 ? 220 GLU B CB 1 -ATOM 4385 C CG . GLU B 2 242 ? -35.377 -48.743 16.810 1.00 48.23 ? 220 GLU B CG 1 -ATOM 4386 C CD . GLU B 2 242 ? -34.328 -49.840 17.071 1.00 60.67 ? 220 GLU B CD 1 -ATOM 4387 O OE1 . GLU B 2 242 ? -33.714 -49.871 18.162 1.00 60.45 ? 220 GLU B OE1 1 -ATOM 4388 O OE2 . GLU B 2 242 ? -34.143 -50.703 16.186 1.00 53.41 ? 220 GLU B OE2 1 -ATOM 4389 N N . ARG B 2 243 ? -35.637 -44.686 19.046 1.00 55.45 ? 221 ARG B N 1 -ATOM 4390 C CA . ARG B 2 243 ? -35.766 -43.808 20.202 1.00 57.78 ? 221 ARG B CA 1 -ATOM 4391 C C . ARG B 2 243 ? -37.094 -43.054 20.139 1.00 49.79 ? 221 ARG B C 1 -ATOM 4392 O O . ARG B 2 243 ? -37.765 -42.838 21.152 1.00 52.16 ? 221 ARG B O 1 -ATOM 4393 C CB . ARG B 2 243 ? -34.615 -42.805 20.234 1.00 55.26 ? 221 ARG B CB 1 -ATOM 4394 C CG . ARG B 2 243 ? -33.971 -42.645 21.575 1.00 66.12 ? 221 ARG B CG 1 -ATOM 4395 C CD . ARG B 2 243 ? -32.650 -43.377 21.618 1.00 64.74 ? 221 ARG B CD 1 -ATOM 4396 N NE . ARG B 2 243 ? -31.679 -42.800 20.692 1.00 72.94 ? 221 ARG B NE 1 -ATOM 4397 C CZ . ARG B 2 243 ? -30.411 -43.200 20.602 1.00 82.08 ? 221 ARG B CZ 1 -ATOM 4398 N NH1 . ARG B 2 243 ? -29.964 -44.171 21.397 1.00 69.19 ? 221 ARG B NH1 1 -ATOM 4399 N NH2 . ARG B 2 243 ? -29.587 -42.626 19.727 1.00 76.42 ? 221 ARG B NH2 1 -ATOM 4400 N N . LEU B 2 244 ? -37.465 -42.689 18.920 1.00 43.18 ? 222 LEU B N 1 -ATOM 4401 C CA . LEU B 2 244 ? -38.679 -41.949 18.642 1.00 52.13 ? 222 LEU B CA 1 -ATOM 4402 C C . LEU B 2 244 ? -39.909 -42.837 18.842 1.00 56.50 ? 222 LEU B C 1 -ATOM 4403 O O . LEU B 2 244 ? -40.878 -42.430 19.481 1.00 59.18 ? 222 LEU B O 1 -ATOM 4404 C CB . LEU B 2 244 ? -38.625 -41.400 17.211 1.00 51.09 ? 222 LEU B CB 1 -ATOM 4405 C CG . LEU B 2 244 ? -39.709 -40.429 16.739 1.00 61.52 ? 222 LEU B CG 1 -ATOM 4406 C CD1 . LEU B 2 244 ? -39.589 -39.120 17.516 1.00 63.95 ? 222 LEU B CD1 1 -ATOM 4407 C CD2 . LEU B 2 244 ? -39.628 -40.189 15.235 1.00 51.14 ? 222 LEU B CD2 1 -ATOM 4408 N N . ALA B 2 245 ? -39.854 -44.060 18.317 1.00 60.31 ? 223 ALA B N 1 -ATOM 4409 C CA . ALA B 2 245 ? -40.971 -44.991 18.450 1.00 52.69 ? 223 ALA B CA 1 -ATOM 4410 C C . ALA B 2 245 ? -41.231 -45.300 19.912 1.00 56.41 ? 223 ALA B C 1 -ATOM 4411 O O . ALA B 2 245 ? -42.386 -45.407 20.313 1.00 69.00 ? 223 ALA B O 1 -ATOM 4412 C CB . ALA B 2 245 ? -40.709 -46.275 17.669 1.00 55.09 ? 223 ALA B CB 1 -ATOM 4413 N N . LYS B 2 246 ? -40.180 -45.420 20.725 1.00 61.33 ? 224 LYS B N 1 -ATOM 4414 C CA . LYS B 2 246 ? -40.382 -45.683 22.157 1.00 60.27 ? 224 LYS B CA 1 -ATOM 4415 C C . LYS B 2 246 ? -40.870 -44.433 22.911 1.00 60.01 ? 224 LYS B C 1 -ATOM 4416 O O . LYS B 2 246 ? -41.381 -44.528 24.028 1.00 62.85 ? 224 LYS B O 1 -ATOM 4417 C CB . LYS B 2 246 ? -39.096 -46.190 22.819 1.00 58.77 ? 224 LYS B CB 1 -ATOM 4418 C CG . LYS B 2 246 ? -38.417 -47.386 22.154 1.00 70.88 ? 224 LYS B CG 1 -ATOM 4419 C CD . LYS B 2 246 ? -37.071 -47.676 22.827 1.00 61.14 ? 224 LYS B CD 1 -ATOM 4420 C CE . LYS B 2 246 ? -36.274 -48.732 22.072 1.00 75.40 ? 224 LYS B CE 1 -ATOM 4421 N NZ . LYS B 2 246 ? -34.817 -48.394 22.022 1.00 74.73 ? 224 LYS B NZ 1 -ATOM 4422 N N . GLY B 2 247 ? -40.711 -43.257 22.316 1.00 62.58 ? 225 GLY B N 1 -ATOM 4423 C CA . GLY B 2 247 ? -41.248 -42.058 22.937 1.00 59.59 ? 225 GLY B CA 1 -ATOM 4424 C C . GLY B 2 247 ? -42.744 -41.952 22.725 1.00 55.19 ? 225 GLY B C 1 -ATOM 4425 O O . GLY B 2 247 ? -43.480 -41.536 23.611 1.00 65.25 ? 225 GLY B O 1 -ATOM 4426 N N . PHE B 2 248 ? -43.190 -42.346 21.539 1.00 60.26 ? 226 PHE B N 1 -ATOM 4427 C CA . PHE B 2 248 ? -44.602 -42.278 21.166 1.00 62.39 ? 226 PHE B CA 1 -ATOM 4428 C C . PHE B 2 248 ? -45.472 -43.462 21.594 1.00 60.78 ? 226 PHE B C 1 -ATOM 4429 O O . PHE B 2 248 ? -46.672 -43.307 21.789 1.00 68.47 ? 226 PHE B O 1 -ATOM 4430 C CB . PHE B 2 248 ? -44.702 -42.085 19.664 1.00 55.90 ? 226 PHE B CB 1 -ATOM 4431 C CG . PHE B 2 248 ? -44.506 -40.677 19.256 1.00 60.69 ? 226 PHE B CG 1 -ATOM 4432 C CD1 . PHE B 2 248 ? -45.157 -39.657 19.952 1.00 68.87 ? 226 PHE B CD1 1 -ATOM 4433 C CD2 . PHE B 2 248 ? -43.643 -40.350 18.226 1.00 66.09 ? 226 PHE B CD2 1 -ATOM 4434 C CE1 . PHE B 2 248 ? -44.981 -38.331 19.607 1.00 63.88 ? 226 PHE B CE1 1 -ATOM 4435 C CE2 . PHE B 2 248 ? -43.451 -39.024 17.868 1.00 73.45 ? 226 PHE B CE2 1 -ATOM 4436 C CZ . PHE B 2 248 ? -44.127 -38.009 18.561 1.00 73.17 ? 226 PHE B CZ 1 -ATOM 4437 N N . PHE B 2 249 ? -44.883 -44.646 21.707 1.00 64.46 ? 227 PHE B N 1 -ATOM 4438 C CA . PHE B 2 249 ? -45.637 -45.832 22.118 1.00 64.52 ? 227 PHE B CA 1 -ATOM 4439 C C . PHE B 2 249 ? -45.016 -46.448 23.361 1.00 67.41 ? 227 PHE B C 1 -ATOM 4440 O O . PHE B 2 249 ? -44.510 -47.568 23.306 1.00 65.02 ? 227 PHE B O 1 -ATOM 4441 C CB . PHE B 2 249 ? -45.680 -46.858 20.985 1.00 60.01 ? 227 PHE B CB 1 -ATOM 4442 C CG . PHE B 2 249 ? -46.356 -46.357 19.753 1.00 55.41 ? 227 PHE B CG 1 -ATOM 4443 C CD1 . PHE B 2 249 ? -45.649 -45.644 18.802 1.00 55.85 ? 227 PHE B CD1 1 -ATOM 4444 C CD2 . PHE B 2 249 ? -47.713 -46.567 19.561 1.00 64.00 ? 227 PHE B CD2 1 -ATOM 4445 C CE1 . PHE B 2 249 ? -46.290 -45.149 17.658 1.00 57.38 ? 227 PHE B CE1 1 -ATOM 4446 C CE2 . PHE B 2 249 ? -48.357 -46.087 18.428 1.00 52.34 ? 227 PHE B CE2 1 -ATOM 4447 C CZ . PHE B 2 249 ? -47.641 -45.375 17.475 1.00 54.71 ? 227 PHE B CZ 1 -ATOM 4448 N N . PRO B 2 250 ? -45.077 -45.725 24.496 1.00 70.24 ? 228 PRO B N 1 -ATOM 4449 C CA . PRO B 2 250 ? -44.352 -46.128 25.708 1.00 65.30 ? 228 PRO B CA 1 -ATOM 4450 C C . PRO B 2 250 ? -44.825 -47.450 26.311 1.00 70.98 ? 228 PRO B C 1 -ATOM 4451 O O . PRO B 2 250 ? -43.998 -48.201 26.813 1.00 69.51 ? 228 PRO B O 1 -ATOM 4452 C CB . PRO B 2 250 ? -44.622 -44.974 26.676 1.00 67.58 ? 228 PRO B CB 1 -ATOM 4453 C CG . PRO B 2 250 ? -45.888 -44.340 26.171 1.00 62.79 ? 228 PRO B CG 1 -ATOM 4454 C CD . PRO B 2 250 ? -45.849 -44.483 24.695 1.00 64.88 ? 228 PRO B CD 1 -ATOM 4455 N N . GLY B 2 251 ? -46.118 -47.742 26.233 1.00 74.27 ? 229 GLY B N 1 -ATOM 4456 C CA . GLY B 2 251 ? -46.644 -48.998 26.737 1.00 62.29 ? 229 GLY B CA 1 -ATOM 4457 C C . GLY B 2 251 ? -46.134 -50.178 25.941 1.00 68.21 ? 229 GLY B C 1 -ATOM 4458 O O . GLY B 2 251 ? -45.823 -51.235 26.502 1.00 68.39 ? 229 GLY B O 1 -ATOM 4459 N N . SER B 2 252 ? -46.055 -49.998 24.624 1.00 70.52 ? 230 SER B N 1 -ATOM 4460 C CA . SER B 2 252 ? -45.537 -51.032 23.725 1.00 65.75 ? 230 SER B CA 1 -ATOM 4461 C C . SER B 2 252 ? -44.066 -51.351 24.019 1.00 67.70 ? 230 SER B C 1 -ATOM 4462 O O . SER B 2 252 ? -43.655 -52.514 24.012 1.00 70.71 ? 230 SER B O 1 -ATOM 4463 C CB . SER B 2 252 ? -45.678 -50.584 22.269 1.00 64.29 ? 230 SER B CB 1 -ATOM 4464 O OG . SER B 2 252 ? -47.007 -50.691 21.798 1.00 61.04 ? 230 SER B OG 1 -ATOM 4465 N N . ALA B 2 253 ? -43.292 -50.305 24.294 1.00 65.82 ? 231 ALA B N 1 -ATOM 4466 C CA . ALA B 2 253 ? -41.877 -50.431 24.617 1.00 66.19 ? 231 ALA B CA 1 -ATOM 4467 C C . ALA B 2 253 ? -41.595 -51.265 25.876 1.00 67.21 ? 231 ALA B C 1 -ATOM 4468 O O . ALA B 2 253 ? -40.639 -52.043 25.899 1.00 62.24 ? 231 ALA B O 1 -ATOM 4469 C CB . ALA B 2 253 ? -41.255 -49.037 24.759 1.00 63.64 ? 231 ALA B CB 1 -ATOM 4470 N N . GLU B 2 254 ? -42.403 -51.097 26.924 1.00 76.05 ? 232 GLU B N 1 -ATOM 4471 C CA . GLU B 2 254 ? -42.205 -51.878 28.155 1.00 78.81 ? 232 GLU B CA 1 -ATOM 4472 C C . GLU B 2 254 ? -42.518 -53.352 27.936 1.00 72.38 ? 232 GLU B C 1 -ATOM 4473 O O . GLU B 2 254 ? -41.803 -54.213 28.441 1.00 80.78 ? 232 GLU B O 1 -ATOM 4474 C CB . GLU B 2 254 ? -43.055 -51.338 29.314 1.00 72.34 ? 232 GLU B CB 1 -ATOM 4475 C CG . GLU B 2 254 ? -43.404 -49.874 29.182 1.00 82.65 ? 232 GLU B CG 1 -ATOM 4476 C CD . GLU B 2 254 ? -44.315 -49.363 30.290 1.00 99.60 ? 232 GLU B CD 1 -ATOM 4477 O OE1 . GLU B 2 254 ? -45.487 -49.809 30.338 1.00 104.19 ? 232 GLU B OE1 1 -ATOM 4478 O OE2 . GLU B 2 254 ? -43.866 -48.525 31.107 1.00 96.01 ? 232 GLU B OE2 1 -ATOM 4479 N N . SER B 2 255 ? -43.566 -53.649 27.170 1.00 69.48 ? 233 SER B N 1 -ATOM 4480 C CA . SER B 2 255 ? -43.986 -55.041 26.993 1.00 68.24 ? 233 SER B CA 1 -ATOM 4481 C C . SER B 2 255 ? -43.214 -55.804 25.915 1.00 68.34 ? 233 SER B C 1 -ATOM 4482 O O . SER B 2 255 ? -43.463 -56.997 25.709 1.00 69.75 ? 233 SER B O 1 -ATOM 4483 C CB . SER B 2 255 ? -45.491 -55.114 26.677 1.00 55.98 ? 233 SER B CB 1 -ATOM 4484 O OG . SER B 2 255 ? -46.275 -54.635 27.756 1.00 76.37 ? 233 SER B OG 1 -ATOM 4485 N N . CYS B 2 256 ? -42.280 -55.141 25.237 1.00 63.55 ? 234 CYS B N 1 -ATOM 4486 C CA . CYS B 2 256 ? -41.460 -55.838 24.251 1.00 61.76 ? 234 CYS B CA 1 -ATOM 4487 C C . CYS B 2 256 ? -40.199 -55.061 23.901 1.00 68.12 ? 234 CYS B C 1 -ATOM 4488 O O . CYS B 2 256 ? -40.249 -53.853 23.664 1.00 65.38 ? 234 CYS B O 1 -ATOM 4489 C CB . CYS B 2 256 ? -42.259 -56.132 22.979 1.00 53.52 ? 234 CYS B CB 1 -ATOM 4490 S SG . CYS B 2 256 ? -41.364 -57.153 21.757 1.00 59.92 ? 234 CYS B SG 1 -ATOM 4491 N N . GLU B 2 257 ? -39.078 -55.783 23.868 1.00 63.91 ? 235 GLU B N 1 -ATOM 4492 C CA . GLU B 2 257 ? -37.758 -55.220 23.610 1.00 67.80 ? 235 GLU B CA 1 -ATOM 4493 C C . GLU B 2 257 ? -37.611 -54.699 22.179 1.00 67.95 ? 235 GLU B C 1 -ATOM 4494 O O . GLU B 2 257 ? -36.741 -53.873 21.891 1.00 71.20 ? 235 GLU B O 1 -ATOM 4495 C CB . GLU B 2 257 ? -36.671 -56.268 23.904 1.00 63.55 ? 235 GLU B CB 1 -ATOM 4496 N N . ALA B 2 258 ? -38.441 -55.198 21.271 1.00 61.70 ? 236 ALA B N 1 -ATOM 4497 C CA . ALA B 2 258 ? -38.412 -54.704 19.897 1.00 51.32 ? 236 ALA B CA 1 -ATOM 4498 C C . ALA B 2 258 ? -39.804 -54.712 19.258 1.00 52.58 ? 236 ALA B C 1 -ATOM 4499 O O . ALA B 2 258 ? -40.081 -55.498 18.353 1.00 55.01 ? 236 ALA B O 1 -ATOM 4500 C CB . ALA B 2 258 ? -37.453 -55.503 19.071 1.00 57.73 ? 236 ALA B CB 1 -ATOM 4501 N N . PHE B 2 259 ? -40.685 -53.849 19.744 1.00 55.17 ? 237 PHE B N 1 -ATOM 4502 C CA . PHE B 2 259 ? -42.089 -53.886 19.323 1.00 58.76 ? 237 PHE B CA 1 -ATOM 4503 C C . PHE B 2 259 ? -42.303 -53.494 17.858 1.00 54.33 ? 237 PHE B C 1 -ATOM 4504 O O . PHE B 2 259 ? -43.316 -53.886 17.255 1.00 51.56 ? 237 PHE B O 1 -ATOM 4505 C CB . PHE B 2 259 ? -42.934 -52.993 20.229 1.00 53.20 ? 237 PHE B CB 1 -ATOM 4506 C CG . PHE B 2 259 ? -42.719 -51.530 20.002 1.00 54.29 ? 237 PHE B CG 1 -ATOM 4507 C CD1 . PHE B 2 259 ? -41.564 -50.912 20.443 1.00 57.07 ? 237 PHE B CD1 1 -ATOM 4508 C CD2 . PHE B 2 259 ? -43.688 -50.765 19.377 1.00 54.35 ? 237 PHE B CD2 1 -ATOM 4509 C CE1 . PHE B 2 259 ? -41.366 -49.557 20.243 1.00 57.29 ? 237 PHE B CE1 1 -ATOM 4510 C CE2 . PHE B 2 259 ? -43.503 -49.407 19.186 1.00 57.75 ? 237 PHE B CE2 1 -ATOM 4511 C CZ . PHE B 2 259 ? -42.334 -48.805 19.618 1.00 48.96 ? 237 PHE B CZ 1 -ATOM 4512 N N . LEU B 2 260 ? -41.355 -52.761 17.269 1.00 40.23 ? 238 LEU B N 1 -ATOM 4513 C CA . LEU B 2 260 ? -41.470 -52.412 15.850 1.00 28.89 ? 238 LEU B CA 1 -ATOM 4514 C C . LEU B 2 260 ? -41.447 -53.655 14.982 1.00 52.81 ? 238 LEU B C 1 -ATOM 4515 O O . LEU B 2 260 ? -41.999 -53.634 13.880 1.00 53.57 ? 238 LEU B O 1 -ATOM 4516 C CB . LEU B 2 260 ? -40.351 -51.463 15.397 1.00 43.33 ? 238 LEU B CB 1 -ATOM 4517 C CG . LEU B 2 260 ? -40.356 -49.954 15.730 1.00 36.16 ? 238 LEU B CG 1 -ATOM 4518 C CD1 . LEU B 2 260 ? -39.179 -49.293 15.055 1.00 41.53 ? 238 LEU B CD1 1 -ATOM 4519 C CD2 . LEU B 2 260 ? -41.610 -49.318 15.230 1.00 42.55 ? 238 LEU B CD2 1 -ATOM 4520 N N . ARG B 2 261 ? -40.832 -54.738 15.472 1.00 41.89 ? 239 ARG B N 1 -ATOM 4521 C CA . ARG B 2 261 ? -40.871 -56.020 14.763 1.00 57.44 ? 239 ARG B CA 1 -ATOM 4522 C C . ARG B 2 261 ? -42.304 -56.569 14.565 1.00 47.99 ? 239 ARG B C 1 -ATOM 4523 O O . ARG B 2 261 ? -42.550 -57.396 13.683 1.00 49.80 ? 239 ARG B O 1 -ATOM 4524 C CB . ARG B 2 261 ? -40.030 -57.059 15.521 1.00 52.76 ? 239 ARG B CB 1 -ATOM 4525 C CG . ARG B 2 261 ? -38.571 -56.700 15.646 1.00 44.35 ? 239 ARG B CG 1 -ATOM 4526 C CD . ARG B 2 261 ? -37.722 -57.887 15.311 1.00 53.30 ? 239 ARG B CD 1 -ATOM 4527 N NE . ARG B 2 261 ? -36.313 -57.621 15.532 1.00 52.49 ? 239 ARG B NE 1 -ATOM 4528 C CZ . ARG B 2 261 ? -35.431 -57.428 14.561 1.00 58.15 ? 239 ARG B CZ 1 -ATOM 4529 N NH1 . ARG B 2 261 ? -35.816 -57.483 13.292 1.00 52.55 ? 239 ARG B NH1 1 -ATOM 4530 N NH2 . ARG B 2 261 ? -34.160 -57.197 14.870 1.00 45.08 ? 239 ARG B NH2 1 -ATOM 4531 N N . HIS B 2 262 ? -43.260 -56.082 15.341 1.00 44.62 ? 240 HIS B N 1 -ATOM 4532 C CA . HIS B 2 262 ? -44.649 -56.512 15.140 1.00 52.14 ? 240 HIS B CA 1 -ATOM 4533 C C . HIS B 2 262 ? -45.190 -55.976 13.827 1.00 56.76 ? 240 HIS B C 1 -ATOM 4534 O O . HIS B 2 262 ? -46.227 -56.431 13.357 1.00 54.00 ? 240 HIS B O 1 -ATOM 4535 C CB . HIS B 2 262 ? -45.550 -56.034 16.276 1.00 52.87 ? 240 HIS B CB 1 -ATOM 4536 C CG . HIS B 2 262 ? -45.095 -56.473 17.629 1.00 52.56 ? 240 HIS B CG 1 -ATOM 4537 N ND1 . HIS B 2 262 ? -45.546 -55.890 18.792 1.00 54.07 ? 240 HIS B ND1 1 -ATOM 4538 C CD2 . HIS B 2 262 ? -44.228 -57.440 18.004 1.00 58.40 ? 240 HIS B CD2 1 -ATOM 4539 C CE1 . HIS B 2 262 ? -44.969 -56.475 19.829 1.00 48.77 ? 240 HIS B CE1 1 -ATOM 4540 N NE2 . HIS B 2 262 ? -44.169 -57.422 19.376 1.00 63.42 ? 240 HIS B NE2 1 -ATOM 4541 N N . LYS B 2 263 ? -44.487 -54.999 13.246 1.00 48.93 ? 241 LYS B N 1 -ATOM 4542 C CA . LYS B 2 263 ? -44.860 -54.427 11.961 1.00 43.33 ? 241 LYS B CA 1 -ATOM 4543 C C . LYS B 2 263 ? -46.264 -53.838 12.014 1.00 42.76 ? 241 LYS B C 1 -ATOM 4544 O O . LYS B 2 263 ? -47.069 -54.017 11.093 1.00 50.13 ? 241 LYS B O 1 -ATOM 4545 C CB . LYS B 2 263 ? -44.754 -55.477 10.843 1.00 49.16 ? 241 LYS B CB 1 -ATOM 4546 C CG . LYS B 2 263 ? -43.317 -55.864 10.479 1.00 39.69 ? 241 LYS B CG 1 -ATOM 4547 C CD . LYS B 2 263 ? -43.183 -57.329 10.105 1.00 61.85 ? 241 LYS B CD 1 -ATOM 4548 C CE . LYS B 2 263 ? -41.722 -57.735 9.924 1.00 59.32 ? 241 LYS B CE 1 -ATOM 4549 N NZ . LYS B 2 263 ? -41.171 -58.498 11.089 1.00 66.19 ? 241 LYS B NZ 1 -ATOM 4550 N N . MET B 2 264 ? -46.558 -53.151 13.111 1.00 52.90 ? 242 MET B N 1 -ATOM 4551 C CA . MET B 2 264 ? -47.826 -52.439 13.265 1.00 47.35 ? 242 MET B CA 1 -ATOM 4552 C C . MET B 2 264 ? -47.686 -50.908 13.334 1.00 51.44 ? 242 MET B C 1 -ATOM 4553 O O . MET B 2 264 ? -48.684 -50.212 13.458 1.00 45.56 ? 242 MET B O 1 -ATOM 4554 C CB . MET B 2 264 ? -48.548 -52.925 14.511 1.00 55.12 ? 242 MET B CB 1 -ATOM 4555 C CG . MET B 2 264 ? -48.890 -54.415 14.476 1.00 58.65 ? 242 MET B CG 1 -ATOM 4556 S SD . MET B 2 264 ? -49.570 -54.972 16.044 1.00 60.96 ? 242 MET B SD 1 -ATOM 4557 C CE . MET B 2 264 ? -51.029 -53.916 16.197 1.00 57.12 ? 242 MET B CE 1 -ATOM 4558 N N . THR B 2 265 ? -46.473 -50.362 13.268 1.00 53.23 ? 243 THR B N 1 -ATOM 4559 C CA . THR B 2 265 ? -46.338 -48.918 13.533 1.00 45.33 ? 243 THR B CA 1 -ATOM 4560 C C . THR B 2 265 ? -46.106 -48.097 12.254 1.00 41.63 ? 243 THR B C 1 -ATOM 4561 O O . THR B 2 265 ? -45.236 -48.391 11.465 1.00 38.74 ? 243 THR B O 1 -ATOM 4562 C CB . THR B 2 265 ? -45.257 -48.680 14.575 1.00 55.82 ? 243 THR B CB 1 -ATOM 4563 O OG1 . THR B 2 265 ? -45.631 -49.395 15.770 1.00 48.76 ? 243 THR B OG1 1 -ATOM 4564 C CG2 . THR B 2 265 ? -45.122 -47.177 14.912 1.00 46.96 ? 243 THR B CG2 1 -ATOM 4565 N N . LEU B 2 266 ? -46.990 -47.130 12.005 1.00 51.09 ? 244 LEU B N 1 -ATOM 4566 C CA . LEU B 2 266 ? -46.880 -46.263 10.823 1.00 48.65 ? 244 LEU B CA 1 -ATOM 4567 C C . LEU B 2 266 ? -46.587 -44.835 11.263 1.00 43.35 ? 244 LEU B C 1 -ATOM 4568 O O . LEU B 2 266 ? -47.211 -44.324 12.182 1.00 50.50 ? 244 LEU B O 1 -ATOM 4569 C CB . LEU B 2 266 ? -48.169 -46.309 9.975 1.00 45.85 ? 244 LEU B CB 1 -ATOM 4570 C CG . LEU B 2 266 ? -48.590 -47.591 9.237 1.00 44.49 ? 244 LEU B CG 1 -ATOM 4571 C CD1 . LEU B 2 266 ? -50.016 -47.438 8.793 1.00 51.42 ? 244 LEU B CD1 1 -ATOM 4572 C CD2 . LEU B 2 266 ? -47.713 -47.869 8.032 1.00 42.20 ? 244 LEU B CD2 1 -ATOM 4573 N N . ILE B 2 267 ? -45.627 -44.196 10.607 1.00 50.65 ? 245 ILE B N 1 -ATOM 4574 C CA . ILE B 2 267 ? -45.174 -42.866 10.990 1.00 39.11 ? 245 ILE B CA 1 -ATOM 4575 C C . ILE B 2 267 ? -44.941 -42.074 9.713 1.00 43.42 ? 245 ILE B C 1 -ATOM 4576 O O . ILE B 2 267 ? -44.111 -42.449 8.910 1.00 43.31 ? 245 ILE B O 1 -ATOM 4577 C CB . ILE B 2 267 ? -43.863 -42.907 11.845 1.00 52.33 ? 245 ILE B CB 1 -ATOM 4578 C CG1 . ILE B 2 267 ? -44.063 -43.769 13.100 1.00 43.17 ? 245 ILE B CG1 1 -ATOM 4579 C CG2 . ILE B 2 267 ? -43.430 -41.477 12.230 1.00 46.65 ? 245 ILE B CG2 1 -ATOM 4580 C CD1 . ILE B 2 267 ? -42.798 -44.211 13.833 1.00 39.65 ? 245 ILE B CD1 1 -ATOM 4581 N N . SER B 2 268 ? -45.697 -40.995 9.518 1.00 44.93 ? 246 SER B N 1 -ATOM 4582 C CA . SER B 2 268 ? -45.664 -40.229 8.278 1.00 37.14 ? 246 SER B CA 1 -ATOM 4583 C C . SER B 2 268 ? -44.317 -39.542 8.129 1.00 38.13 ? 246 SER B C 1 -ATOM 4584 O O . SER B 2 268 ? -43.640 -39.320 9.122 1.00 32.58 ? 246 SER B O 1 -ATOM 4585 C CB . SER B 2 268 ? -46.751 -39.161 8.277 1.00 40.99 ? 246 SER B CB 1 -ATOM 4586 O OG . SER B 2 268 ? -46.285 -38.073 9.056 1.00 45.50 ? 246 SER B OG 1 -ATOM 4587 N N . PRO B 2 269 ? -43.921 -39.230 6.889 1.00 40.70 ? 247 PRO B N 1 -ATOM 4588 C CA . PRO B 2 269 ? -42.682 -38.486 6.637 1.00 44.77 ? 247 PRO B CA 1 -ATOM 4589 C C . PRO B 2 269 ? -42.674 -37.100 7.300 1.00 46.68 ? 247 PRO B C 1 -ATOM 4590 O O . PRO B 2 269 ? -41.591 -36.615 7.617 1.00 39.70 ? 247 PRO B O 1 -ATOM 4591 C CB . PRO B 2 269 ? -42.647 -38.357 5.114 1.00 48.21 ? 247 PRO B CB 1 -ATOM 4592 C CG . PRO B 2 269 ? -44.096 -38.617 4.657 1.00 44.22 ? 247 PRO B CG 1 -ATOM 4593 C CD . PRO B 2 269 ? -44.574 -39.656 5.634 1.00 42.69 ? 247 PRO B CD 1 -ATOM 4594 N N . LEU B 2 270 ? -43.843 -36.499 7.526 1.00 43.45 ? 248 LEU B N 1 -ATOM 4595 C CA . LEU B 2 270 ? -43.915 -35.212 8.216 1.00 46.04 ? 248 LEU B CA 1 -ATOM 4596 C C . LEU B 2 270 ? -43.438 -35.380 9.645 1.00 54.54 ? 248 LEU B C 1 -ATOM 4597 O O . LEU B 2 270 ? -42.678 -34.561 10.168 1.00 50.97 ? 248 LEU B O 1 -ATOM 4598 C CB . LEU B 2 270 ? -45.343 -34.659 8.222 1.00 46.17 ? 248 LEU B CB 1 -ATOM 4599 C CG . LEU B 2 270 ? -46.013 -34.310 6.894 1.00 65.71 ? 248 LEU B CG 1 -ATOM 4600 C CD1 . LEU B 2 270 ? -47.412 -33.752 7.148 1.00 69.19 ? 248 LEU B CD1 1 -ATOM 4601 C CD2 . LEU B 2 270 ? -45.171 -33.298 6.116 1.00 55.60 ? 248 LEU B CD2 1 -ATOM 4602 N N . MET B 2 271 ? -43.888 -36.451 10.290 1.00 47.27 ? 249 MET B N 1 -ATOM 4603 C CA . MET B 2 271 ? -43.479 -36.676 11.664 1.00 45.35 ? 249 MET B CA 1 -ATOM 4604 C C . MET B 2 271 ? -41.964 -36.879 11.714 1.00 40.25 ? 249 MET B C 1 -ATOM 4605 O O . MET B 2 271 ? -41.303 -36.361 12.608 1.00 48.48 ? 249 MET B O 1 -ATOM 4606 C CB . MET B 2 271 ? -44.202 -37.877 12.265 1.00 40.75 ? 249 MET B CB 1 -ATOM 4607 C CG . MET B 2 271 ? -44.467 -37.746 13.746 1.00 51.59 ? 249 MET B CG 1 -ATOM 4608 S SD . MET B 2 271 ? -45.455 -36.239 14.054 1.00 74.43 ? 249 MET B SD 1 -ATOM 4609 C CE . MET B 2 271 ? -45.923 -36.504 15.766 1.00 56.11 ? 249 MET B CE 1 -ATOM 4610 N N . LEU B 2 272 ? -41.418 -37.603 10.738 1.00 38.25 ? 250 LEU B N 1 -ATOM 4611 C CA . LEU B 2 272 ? -39.975 -37.859 10.696 1.00 41.73 ? 250 LEU B CA 1 -ATOM 4612 C C . LEU B 2 272 ? -39.142 -36.575 10.488 1.00 42.88 ? 250 LEU B C 1 -ATOM 4613 O O . LEU B 2 272 ? -38.137 -36.365 11.150 1.00 41.59 ? 250 LEU B O 1 -ATOM 4614 C CB . LEU B 2 272 ? -39.636 -38.860 9.590 1.00 37.03 ? 250 LEU B CB 1 -ATOM 4615 C CG . LEU B 2 272 ? -40.106 -40.320 9.707 1.00 43.71 ? 250 LEU B CG 1 -ATOM 4616 C CD1 . LEU B 2 272 ? -39.248 -41.180 8.804 1.00 35.88 ? 250 LEU B CD1 1 -ATOM 4617 C CD2 . LEU B 2 272 ? -40.072 -40.845 11.121 1.00 35.00 ? 250 LEU B CD2 1 -ATOM 4618 N N . LYS B 2 273 ? -39.566 -35.742 9.550 1.00 47.53 ? 251 LYS B N 1 -ATOM 4619 C CA . LYS B 2 273 ? -38.900 -34.482 9.273 1.00 52.59 ? 251 LYS B CA 1 -ATOM 4620 C C . LYS B 2 273 ? -38.907 -33.615 10.537 1.00 54.27 ? 251 LYS B C 1 -ATOM 4621 O O . LYS B 2 273 ? -37.882 -33.051 10.925 1.00 61.25 ? 251 LYS B O 1 -ATOM 4622 C CB . LYS B 2 273 ? -39.581 -33.769 8.109 1.00 48.36 ? 251 LYS B CB 1 -ATOM 4623 C CG . LYS B 2 273 ? -38.802 -32.584 7.570 1.00 67.14 ? 251 LYS B CG 1 -ATOM 4624 C CD . LYS B 2 273 ? -39.513 -31.948 6.384 1.00 66.42 ? 251 LYS B CD 1 -ATOM 4625 C CE . LYS B 2 273 ? -38.777 -30.700 5.893 1.00 68.10 ? 251 LYS B CE 1 -ATOM 4626 N NZ . LYS B 2 273 ? -39.232 -30.306 4.519 1.00 71.89 ? 251 LYS B NZ 1 -ATOM 4627 N N . LYS B 2 274 ? -40.056 -33.583 11.205 1.00 56.11 ? 252 LYS B N 1 -ATOM 4628 C CA . LYS B 2 274 ? -40.287 -32.748 12.383 1.00 49.41 ? 252 LYS B CA 1 -ATOM 4629 C C . LYS B 2 274 ? -39.377 -33.094 13.546 1.00 55.40 ? 252 LYS B C 1 -ATOM 4630 O O . LYS B 2 274 ? -38.935 -32.205 14.276 1.00 57.46 ? 252 LYS B O 1 -ATOM 4631 C CB . LYS B 2 274 ? -41.751 -32.864 12.811 1.00 48.68 ? 252 LYS B CB 1 -ATOM 4632 C CG . LYS B 2 274 ? -42.119 -32.162 14.099 1.00 54.50 ? 252 LYS B CG 1 -ATOM 4633 C CD . LYS B 2 274 ? -43.507 -32.614 14.558 1.00 55.53 ? 252 LYS B CD 1 -ATOM 4634 C CE . LYS B 2 274 ? -43.932 -31.951 15.860 1.00 62.19 ? 252 LYS B CE 1 -ATOM 4635 N NZ . LYS B 2 274 ? -44.520 -30.603 15.617 1.00 70.17 ? 252 LYS B NZ 1 -ATOM 4636 N N . TYR B 2 275 ? -39.054 -34.375 13.703 1.00 54.25 ? 253 TYR B N 1 -ATOM 4637 C CA . TYR B 2 275 ? -38.207 -34.784 14.820 1.00 43.70 ? 253 TYR B CA 1 -ATOM 4638 C C . TYR B 2 275 ? -36.788 -35.005 14.347 1.00 54.71 ? 253 TYR B C 1 -ATOM 4639 O O . TYR B 2 275 ? -35.934 -35.488 15.100 1.00 62.37 ? 253 TYR B O 1 -ATOM 4640 C CB . TYR B 2 275 ? -38.754 -36.053 15.473 1.00 52.21 ? 253 TYR B CB 1 -ATOM 4641 C CG . TYR B 2 275 ? -40.034 -35.799 16.206 1.00 57.38 ? 253 TYR B CG 1 -ATOM 4642 C CD1 . TYR B 2 275 ? -40.017 -35.356 17.517 1.00 51.27 ? 253 TYR B CD1 1 -ATOM 4643 C CD2 . TYR B 2 275 ? -41.263 -35.949 15.577 1.00 61.05 ? 253 TYR B CD2 1 -ATOM 4644 C CE1 . TYR B 2 275 ? -41.179 -35.096 18.196 1.00 48.03 ? 253 TYR B CE1 1 -ATOM 4645 C CE2 . TYR B 2 275 ? -42.449 -35.677 16.258 1.00 58.30 ? 253 TYR B CE2 1 -ATOM 4646 C CZ . TYR B 2 275 ? -42.391 -35.250 17.571 1.00 55.03 ? 253 TYR B CZ 1 -ATOM 4647 O OH . TYR B 2 275 ? -43.544 -34.975 18.281 1.00 66.88 ? 253 TYR B OH 1 -ATOM 4648 N N . GLY B 2 276 ? -36.527 -34.586 13.112 1.00 54.05 ? 254 GLY B N 1 -ATOM 4649 C CA . GLY B 2 276 ? -35.190 -34.647 12.558 1.00 52.97 ? 254 GLY B CA 1 -ATOM 4650 C C . GLY B 2 276 ? -34.644 -36.048 12.344 1.00 52.42 ? 254 GLY B C 1 -ATOM 4651 O O . GLY B 2 276 ? -33.473 -36.284 12.616 1.00 56.92 ? 254 GLY B O 1 -ATOM 4652 N N . ILE B 2 277 ? -35.473 -36.980 11.866 1.00 50.68 ? 255 ILE B N 1 -ATOM 4653 C CA . ILE B 2 277 ? -34.951 -38.281 11.407 1.00 43.85 ? 255 ILE B CA 1 -ATOM 4654 C C . ILE B 2 277 ? -34.692 -38.222 9.910 1.00 40.38 ? 255 ILE B C 1 -ATOM 4655 O O . ILE B 2 277 ? -35.602 -37.975 9.126 1.00 47.76 ? 255 ILE B O 1 -ATOM 4656 C CB . ILE B 2 277 ? -35.923 -39.466 11.670 1.00 53.25 ? 255 ILE B CB 1 -ATOM 4657 C CG1 . ILE B 2 277 ? -36.581 -39.372 13.056 1.00 42.03 ? 255 ILE B CG1 1 -ATOM 4658 C CG2 . ILE B 2 277 ? -35.205 -40.810 11.422 1.00 39.69 ? 255 ILE B CG2 1 -ATOM 4659 C CD1 . ILE B 2 277 ? -35.578 -39.402 14.208 1.00 57.89 ? 255 ILE B CD1 1 -ATOM 4660 N N . PRO B 2 278 ? -33.447 -38.451 9.493 1.00 43.23 ? 256 PRO B N 1 -ATOM 4661 C CA . PRO B 2 278 ? -33.153 -38.428 8.054 1.00 35.72 ? 256 PRO B CA 1 -ATOM 4662 C C . PRO B 2 278 ? -33.889 -39.577 7.351 1.00 45.15 ? 256 PRO B C 1 -ATOM 4663 O O . PRO B 2 278 ? -33.985 -40.656 7.934 1.00 48.03 ? 256 PRO B O 1 -ATOM 4664 C CB . PRO B 2 278 ? -31.644 -38.662 7.989 1.00 39.00 ? 256 PRO B CB 1 -ATOM 4665 C CG . PRO B 2 278 ? -31.149 -38.461 9.391 1.00 45.11 ? 256 PRO B CG 1 -ATOM 4666 C CD . PRO B 2 278 ? -32.271 -38.813 10.296 1.00 46.49 ? 256 PRO B CD 1 -ATOM 4667 N N . PHE B 2 279 ? -34.420 -39.345 6.156 1.00 35.46 ? 257 PHE B N 1 -ATOM 4668 C CA . PHE B 2 279 ? -35.039 -40.390 5.388 1.00 42.77 ? 257 PHE B CA 1 -ATOM 4669 C C . PHE B 2 279 ? -34.989 -40.008 3.923 1.00 45.24 ? 257 PHE B C 1 -ATOM 4670 O O . PHE B 2 279 ? -34.631 -38.889 3.584 1.00 40.16 ? 257 PHE B O 1 -ATOM 4671 C CB . PHE B 2 279 ? -36.479 -40.660 5.875 1.00 42.63 ? 257 PHE B CB 1 -ATOM 4672 C CG . PHE B 2 279 ? -37.448 -39.544 5.613 1.00 35.51 ? 257 PHE B CG 1 -ATOM 4673 C CD1 . PHE B 2 279 ? -37.568 -38.492 6.507 1.00 46.11 ? 257 PHE B CD1 1 -ATOM 4674 C CD2 . PHE B 2 279 ? -38.265 -39.563 4.493 1.00 36.27 ? 257 PHE B CD2 1 -ATOM 4675 C CE1 . PHE B 2 279 ? -38.482 -37.454 6.281 1.00 42.24 ? 257 PHE B CE1 1 -ATOM 4676 C CE2 . PHE B 2 279 ? -39.170 -38.536 4.260 1.00 53.79 ? 257 PHE B CE2 1 -ATOM 4677 C CZ . PHE B 2 279 ? -39.272 -37.476 5.161 1.00 39.44 ? 257 PHE B CZ 1 -ATOM 4678 N N . ASP B 2 280 ? -35.291 -40.971 3.060 1.00 44.00 ? 258 ASP B N 1 -ATOM 4679 C CA . ASP B 2 280 ? -35.392 -40.759 1.626 1.00 38.49 ? 258 ASP B CA 1 -ATOM 4680 C C . ASP B 2 280 ? -36.640 -41.517 1.190 1.00 40.25 ? 258 ASP B C 1 -ATOM 4681 O O . ASP B 2 280 ? -37.163 -42.315 1.953 1.00 38.98 ? 258 ASP B O 1 -ATOM 4682 C CB . ASP B 2 280 ? -34.158 -41.279 0.879 1.00 33.19 ? 258 ASP B CB 1 -ATOM 4683 C CG . ASP B 2 280 ? -33.931 -40.556 -0.471 1.00 53.42 ? 258 ASP B CG 1 -ATOM 4684 O OD1 . ASP B 2 280 ? -34.809 -39.753 -0.922 1.00 45.86 ? 258 ASP B OD1 1 -ATOM 4685 O OD2 . ASP B 2 280 ? -32.889 -40.829 -1.108 1.00 49.42 ? 258 ASP B OD2 1 -ATOM 4686 N N . LYS B 2 281 ? -37.156 -41.243 -0.003 1.00 47.96 ? 259 LYS B N 1 -ATOM 4687 C CA . LYS B 2 281 ? -38.273 -42.037 -0.510 1.00 46.78 ? 259 LYS B CA 1 -ATOM 4688 C C . LYS B 2 281 ? -38.035 -42.382 -1.975 1.00 45.58 ? 259 LYS B C 1 -ATOM 4689 O O . LYS B 2 281 ? -37.255 -41.711 -2.649 1.00 35.00 ? 259 LYS B O 1 -ATOM 4690 C CB . LYS B 2 281 ? -39.613 -41.307 -0.327 1.00 48.22 ? 259 LYS B CB 1 -ATOM 4691 C CG . LYS B 2 281 ? -39.714 -39.952 -1.013 1.00 49.01 ? 259 LYS B CG 1 -ATOM 4692 C CD . LYS B 2 281 ? -41.047 -39.221 -0.698 1.00 47.35 ? 259 LYS B CD 1 -ATOM 4693 C CE . LYS B 2 281 ? -40.866 -38.135 0.361 1.00 57.93 ? 259 LYS B CE 1 -ATOM 4694 N NZ . LYS B 2 281 ? -42.033 -37.185 0.484 1.00 45.51 ? 259 LYS B NZ 1 -ATOM 4695 N N . VAL B 2 282 ? -38.678 -43.444 -2.456 1.00 37.00 ? 260 VAL B N 1 -ATOM 4696 C CA . VAL B 2 282 ? -38.500 -43.878 -3.835 1.00 38.76 ? 260 VAL B CA 1 -ATOM 4697 C C . VAL B 2 282 ? -39.743 -44.627 -4.270 1.00 39.85 ? 260 VAL B C 1 -ATOM 4698 O O . VAL B 2 282 ? -40.424 -45.233 -3.449 1.00 50.39 ? 260 VAL B O 1 -ATOM 4699 C CB . VAL B 2 282 ? -37.250 -44.791 -4.024 1.00 39.02 ? 260 VAL B CB 1 -ATOM 4700 C CG1 . VAL B 2 282 ? -37.550 -46.209 -3.613 1.00 42.53 ? 260 VAL B CG1 1 -ATOM 4701 C CG2 . VAL B 2 282 ? -36.770 -44.764 -5.486 1.00 31.35 ? 260 VAL B CG2 1 -ATOM 4702 N N . THR B 2 283 ? -40.042 -44.579 -5.562 1.00 41.43 ? 261 THR B N 1 -ATOM 4703 C CA . THR B 2 283 ? -41.150 -45.328 -6.114 1.00 44.43 ? 261 THR B CA 1 -ATOM 4704 C C . THR B 2 283 ? -40.618 -46.438 -7.002 1.00 47.84 ? 261 THR B C 1 -ATOM 4705 O O . THR B 2 283 ? -39.734 -46.213 -7.828 1.00 48.15 ? 261 THR B O 1 -ATOM 4706 C CB . THR B 2 283 ? -42.115 -44.409 -6.903 1.00 55.81 ? 261 THR B CB 1 -ATOM 4707 O OG1 . THR B 2 283 ? -42.702 -43.459 -5.999 1.00 51.76 ? 261 THR B OG1 1 -ATOM 4708 C CG2 . THR B 2 283 ? -43.230 -45.219 -7.523 1.00 47.21 ? 261 THR B CG2 1 -ATOM 4709 N N . GLN B 2 284 ? -41.124 -47.650 -6.790 1.00 48.21 ? 262 GLN B N 1 -ATOM 4710 C CA . GLN B 2 284 ? -40.701 -48.824 -7.557 1.00 44.32 ? 262 GLN B CA 1 -ATOM 4711 C C . GLN B 2 284 ? -41.806 -49.070 -8.595 1.00 45.96 ? 262 GLN B C 1 -ATOM 4712 O O . GLN B 2 284 ? -42.990 -49.103 -8.252 1.00 47.42 ? 262 GLN B O 1 -ATOM 4713 C CB . GLN B 2 284 ? -40.455 -50.025 -6.612 1.00 44.84 ? 262 GLN B CB 1 -ATOM 4714 C CG . GLN B 2 284 ? -40.169 -51.383 -7.256 1.00 47.04 ? 262 GLN B CG 1 -ATOM 4715 C CD . GLN B 2 284 ? -40.396 -52.574 -6.303 1.00 43.93 ? 262 GLN B CD 1 -ATOM 4716 O OE1 . GLN B 2 284 ? -41.155 -52.481 -5.336 1.00 48.60 ? 262 GLN B OE1 1 -ATOM 4717 N NE2 . GLN B 2 284 ? -39.733 -53.696 -6.581 1.00 52.58 ? 262 GLN B NE2 1 -ATOM 4718 N N . GLU B 2 285 ? -41.445 -49.093 -9.876 1.00 49.53 ? 263 GLU B N 1 -ATOM 4719 C CA . GLU B 2 285 ? -42.416 -49.449 -10.908 1.00 51.70 ? 263 GLU B CA 1 -ATOM 4720 C C . GLU B 2 285 ? -42.182 -50.888 -11.367 1.00 60.30 ? 263 GLU B C 1 -ATOM 4721 O O . GLU B 2 285 ? -41.152 -51.514 -11.030 1.00 46.88 ? 263 GLU B O 1 -ATOM 4722 C CB . GLU B 2 285 ? -42.379 -48.494 -12.108 1.00 50.29 ? 263 GLU B CB 1 -ATOM 4723 C CG . GLU B 2 285 ? -42.705 -47.035 -11.752 1.00 64.48 ? 263 GLU B CG 1 -ATOM 4724 C CD . GLU B 2 285 ? -41.472 -46.146 -11.598 1.00 79.75 ? 263 GLU B CD 1 -ATOM 4725 O OE1 . GLU B 2 285 ? -40.328 -46.665 -11.624 1.00 77.34 ? 263 GLU B OE1 1 -ATOM 4726 O OE2 . GLU B 2 285 ? -41.658 -44.923 -11.391 1.00 88.50 ? 263 GLU B OE2 1 -ATOM 4727 N N . ALA B 2 286 ? -43.178 -51.409 -12.083 1.00 50.56 ? 264 ALA B N 1 -ATOM 4728 C CA . ALA B 2 286 ? -43.204 -52.794 -12.515 1.00 50.21 ? 264 ALA B CA 1 -ATOM 4729 C C . ALA B 2 286 ? -41.963 -53.169 -13.311 1.00 50.75 ? 264 ALA B C 1 -ATOM 4730 O O . ALA B 2 286 ? -41.553 -52.443 -14.219 1.00 59.45 ? 264 ALA B O 1 -ATOM 4731 C CB . ALA B 2 286 ? -44.439 -53.047 -13.329 1.00 43.28 ? 264 ALA B CB 1 -ATOM 4732 N N . GLY B 2 287 ? -41.359 -54.296 -12.956 1.00 46.77 ? 265 GLY B N 1 -ATOM 4733 C CA . GLY B 2 287 ? -40.217 -54.812 -13.684 1.00 44.11 ? 265 GLY B CA 1 -ATOM 4734 C C . GLY B 2 287 ? -38.914 -54.428 -13.030 1.00 49.29 ? 265 GLY B C 1 -ATOM 4735 O O . GLY B 2 287 ? -37.839 -54.700 -13.567 1.00 54.32 ? 265 GLY B O 1 -ATOM 4736 N N . GLU B 2 288 ? -39.011 -53.813 -11.857 1.00 48.63 ? 266 GLU B N 1 -ATOM 4737 C CA . GLU B 2 288 ? -37.834 -53.339 -11.130 1.00 46.84 ? 266 GLU B CA 1 -ATOM 4738 C C . GLU B 2 288 ? -37.705 -53.966 -9.764 1.00 43.42 ? 266 GLU B C 1 -ATOM 4739 O O . GLU B 2 288 ? -38.714 -54.332 -9.147 1.00 47.46 ? 266 GLU B O 1 -ATOM 4740 C CB . GLU B 2 288 ? -37.874 -51.804 -10.988 1.00 47.92 ? 266 GLU B CB 1 -ATOM 4741 N N . PHE B 2 289 ? -36.452 -54.058 -9.302 1.00 48.68 ? 267 PHE B N 1 -ATOM 4742 C CA . PHE B 2 289 ? -36.071 -54.610 -8.000 1.00 43.00 ? 267 PHE B CA 1 -ATOM 4743 C C . PHE B 2 289 ? -35.820 -53.530 -6.946 1.00 47.09 ? 267 PHE B C 1 -ATOM 4744 O O . PHE B 2 289 ? -35.167 -52.523 -7.237 1.00 44.37 ? 267 PHE B O 1 -ATOM 4745 C CB . PHE B 2 289 ? -34.775 -55.431 -8.126 1.00 49.52 ? 267 PHE B CB 1 -ATOM 4746 C CG . PHE B 2 289 ? -34.936 -56.729 -8.868 1.00 53.12 ? 267 PHE B CG 1 -ATOM 4747 C CD1 . PHE B 2 289 ? -35.376 -57.872 -8.218 1.00 49.10 ? 267 PHE B CD1 1 -ATOM 4748 C CD2 . PHE B 2 289 ? -34.659 -56.798 -10.230 1.00 53.19 ? 267 PHE B CD2 1 -ATOM 4749 C CE1 . PHE B 2 289 ? -35.529 -59.073 -8.919 1.00 52.55 ? 267 PHE B CE1 1 -ATOM 4750 C CE2 . PHE B 2 289 ? -34.811 -57.985 -10.935 1.00 53.01 ? 267 PHE B CE2 1 -ATOM 4751 C CZ . PHE B 2 289 ? -35.242 -59.127 -10.277 1.00 41.14 ? 267 PHE B CZ 1 -ATOM 4752 N N . MET B 2 290 ? -36.283 -53.776 -5.719 1.00 41.93 ? 268 MET B N 1 -ATOM 4753 C CA . MET B 2 290 ? -35.781 -53.099 -4.529 1.00 40.77 ? 268 MET B CA 1 -ATOM 4754 C C . MET B 2 290 ? -35.009 -54.102 -3.678 1.00 51.83 ? 268 MET B C 1 -ATOM 4755 O O . MET B 2 290 ? -35.433 -55.250 -3.500 1.00 52.64 ? 268 MET B O 1 -ATOM 4756 C CB . MET B 2 290 ? -36.907 -52.488 -3.698 1.00 30.37 ? 268 MET B CB 1 -ATOM 4757 C CG . MET B 2 290 ? -37.816 -51.563 -4.499 1.00 44.37 ? 268 MET B CG 1 -ATOM 4758 S SD . MET B 2 290 ? -36.941 -50.068 -5.041 1.00 48.66 ? 268 MET B SD 1 -ATOM 4759 C CE . MET B 2 290 ? -36.114 -49.756 -3.520 1.00 31.64 ? 268 MET B CE 1 -ATOM 4760 N N . ILE B 2 291 ? -33.885 -53.628 -3.157 1.00 38.62 ? 269 ILE B N 1 -ATOM 4761 C CA . ILE B 2 291 ? -32.994 -54.331 -2.257 1.00 42.10 ? 269 ILE B CA 1 -ATOM 4762 C C . ILE B 2 291 ? -32.931 -53.558 -0.947 1.00 51.04 ? 269 ILE B C 1 -ATOM 4763 O O . ILE B 2 291 ? -32.601 -52.353 -0.935 1.00 45.10 ? 269 ILE B O 1 -ATOM 4764 C CB . ILE B 2 291 ? -31.554 -54.435 -2.838 1.00 46.52 ? 269 ILE B CB 1 -ATOM 4765 C CG1 . ILE B 2 291 ? -31.527 -55.144 -4.199 1.00 42.04 ? 269 ILE B CG1 1 -ATOM 4766 C CG2 . ILE B 2 291 ? -30.610 -55.048 -1.843 1.00 47.59 ? 269 ILE B CG2 1 -ATOM 4767 C CD1 . ILE B 2 291 ? -31.913 -56.612 -4.144 1.00 54.69 ? 269 ILE B CD1 1 -ATOM 4768 N N . THR B 2 292 ? -33.255 -54.218 0.157 1.00 45.14 ? 270 THR B N 1 -ATOM 4769 C CA . THR B 2 292 ? -33.106 -53.581 1.458 1.00 37.01 ? 270 THR B CA 1 -ATOM 4770 C C . THR B 2 292 ? -31.926 -54.175 2.208 1.00 52.29 ? 270 THR B C 1 -ATOM 4771 O O . THR B 2 292 ? -31.676 -55.390 2.150 1.00 43.57 ? 270 THR B O 1 -ATOM 4772 C CB . THR B 2 292 ? -34.359 -53.731 2.336 1.00 47.42 ? 270 THR B CB 1 -ATOM 4773 O OG1 . THR B 2 292 ? -34.294 -54.978 3.037 1.00 51.26 ? 270 THR B OG1 1 -ATOM 4774 C CG2 . THR B 2 292 ? -35.688 -53.630 1.496 1.00 33.43 ? 270 THR B CG2 1 -ATOM 4775 N N . PHE B 2 293 ? -31.251 -53.332 2.986 1.00 43.52 ? 271 PHE B N 1 -ATOM 4776 C CA . PHE B 2 293 ? -30.012 -53.718 3.630 1.00 35.57 ? 271 PHE B CA 1 -ATOM 4777 C C . PHE B 2 293 ? -30.189 -53.945 5.111 1.00 36.01 ? 271 PHE B C 1 -ATOM 4778 O O . PHE B 2 293 ? -31.226 -53.583 5.664 1.00 50.34 ? 271 PHE B O 1 -ATOM 4779 C CB . PHE B 2 293 ? -28.946 -52.666 3.360 1.00 41.08 ? 271 PHE B CB 1 -ATOM 4780 C CG . PHE B 2 293 ? -28.566 -52.582 1.933 1.00 46.91 ? 271 PHE B CG 1 -ATOM 4781 C CD1 . PHE B 2 293 ? -27.568 -53.405 1.429 1.00 34.02 ? 271 PHE B CD1 1 -ATOM 4782 C CD2 . PHE B 2 293 ? -29.214 -51.699 1.076 1.00 51.09 ? 271 PHE B CD2 1 -ATOM 4783 C CE1 . PHE B 2 293 ? -27.214 -53.353 0.106 1.00 36.03 ? 271 PHE B CE1 1 -ATOM 4784 C CE2 . PHE B 2 293 ? -28.868 -51.637 -0.264 1.00 42.39 ? 271 PHE B CE2 1 -ATOM 4785 C CZ . PHE B 2 293 ? -27.859 -52.466 -0.748 1.00 51.06 ? 271 PHE B CZ 1 -ATOM 4786 N N . PRO B 2 294 ? -29.222 -54.629 5.745 1.00 37.71 ? 272 PRO B N 1 -ATOM 4787 C CA . PRO B 2 294 ? -29.325 -54.903 7.174 1.00 43.51 ? 272 PRO B CA 1 -ATOM 4788 C C . PRO B 2 294 ? -29.518 -53.635 8.016 1.00 47.58 ? 272 PRO B C 1 -ATOM 4789 O O . PRO B 2 294 ? -28.757 -52.673 7.886 1.00 43.33 ? 272 PRO B O 1 -ATOM 4790 C CB . PRO B 2 294 ? -27.981 -55.558 7.500 1.00 38.45 ? 272 PRO B CB 1 -ATOM 4791 C CG . PRO B 2 294 ? -27.569 -56.208 6.263 1.00 39.56 ? 272 PRO B CG 1 -ATOM 4792 C CD . PRO B 2 294 ? -28.055 -55.317 5.152 1.00 45.25 ? 272 PRO B CD 1 -ATOM 4793 N N . TYR B 2 295 ? -30.504 -53.690 8.901 1.00 43.65 ? 273 TYR B N 1 -ATOM 4794 C CA . TYR B 2 295 ? -30.860 -52.609 9.800 1.00 45.26 ? 273 TYR B CA 1 -ATOM 4795 C C . TYR B 2 295 ? -31.374 -51.378 9.040 1.00 46.13 ? 273 TYR B C 1 -ATOM 4796 O O . TYR B 2 295 ? -31.392 -50.289 9.589 1.00 44.74 ? 273 TYR B O 1 -ATOM 4797 C CB . TYR B 2 295 ? -29.679 -52.227 10.701 1.00 41.01 ? 273 TYR B CB 1 -ATOM 4798 C CG . TYR B 2 295 ? -30.114 -51.552 12.005 1.00 44.58 ? 273 TYR B CG 1 -ATOM 4799 C CD1 . TYR B 2 295 ? -31.006 -52.187 12.869 1.00 36.58 ? 273 TYR B CD1 1 -ATOM 4800 C CD2 . TYR B 2 295 ? -29.643 -50.278 12.362 1.00 49.44 ? 273 TYR B CD2 1 -ATOM 4801 C CE1 . TYR B 2 295 ? -31.425 -51.589 14.046 1.00 41.92 ? 273 TYR B CE1 1 -ATOM 4802 C CE2 . TYR B 2 295 ? -30.061 -49.654 13.566 1.00 42.64 ? 273 TYR B CE2 1 -ATOM 4803 C CZ . TYR B 2 295 ? -30.957 -50.324 14.395 1.00 50.11 ? 273 TYR B CZ 1 -ATOM 4804 O OH . TYR B 2 295 ? -31.398 -49.758 15.577 1.00 58.32 ? 273 TYR B OH 1 -ATOM 4805 N N . GLY B 2 296 ? -31.787 -51.553 7.787 1.00 40.58 ? 274 GLY B N 1 -ATOM 4806 C CA . GLY B 2 296 ? -32.436 -50.472 7.066 1.00 40.58 ? 274 GLY B CA 1 -ATOM 4807 C C . GLY B 2 296 ? -33.939 -50.431 7.341 1.00 41.49 ? 274 GLY B C 1 -ATOM 4808 O O . GLY B 2 296 ? -34.693 -51.191 6.747 1.00 36.90 ? 274 GLY B O 1 -ATOM 4809 N N . TYR B 2 297 ? -34.383 -49.587 8.263 1.00 38.43 ? 275 TYR B N 1 -ATOM 4810 C CA . TYR B 2 297 ? -35.833 -49.431 8.492 1.00 40.47 ? 275 TYR B CA 1 -ATOM 4811 C C . TYR B 2 297 ? -36.548 -48.938 7.252 1.00 41.22 ? 275 TYR B C 1 -ATOM 4812 O O . TYR B 2 297 ? -36.065 -48.025 6.590 1.00 38.24 ? 275 TYR B O 1 -ATOM 4813 C CB . TYR B 2 297 ? -36.114 -48.495 9.648 1.00 35.42 ? 275 TYR B CB 1 -ATOM 4814 C CG . TYR B 2 297 ? -36.019 -49.176 10.981 1.00 43.48 ? 275 TYR B CG 1 -ATOM 4815 C CD1 . TYR B 2 297 ? -37.029 -50.036 11.416 1.00 46.62 ? 275 TYR B CD1 1 -ATOM 4816 C CD2 . TYR B 2 297 ? -34.930 -48.975 11.800 1.00 37.46 ? 275 TYR B CD2 1 -ATOM 4817 C CE1 . TYR B 2 297 ? -36.944 -50.673 12.637 1.00 40.07 ? 275 TYR B CE1 1 -ATOM 4818 C CE2 . TYR B 2 297 ? -34.843 -49.583 13.006 1.00 44.11 ? 275 TYR B CE2 1 -ATOM 4819 C CZ . TYR B 2 297 ? -35.847 -50.444 13.424 1.00 42.00 ? 275 TYR B CZ 1 -ATOM 4820 O OH . TYR B 2 297 ? -35.736 -51.066 14.652 1.00 45.71 ? 275 TYR B OH 1 -ATOM 4821 N N . HIS B 2 298 ? -37.676 -49.566 6.912 1.00 34.57 ? 276 HIS B N 1 -ATOM 4822 C CA . HIS B 2 298 ? -38.417 -49.144 5.734 1.00 41.23 ? 276 HIS B CA 1 -ATOM 4823 C C . HIS B 2 298 ? -39.917 -49.347 5.880 1.00 34.36 ? 276 HIS B C 1 -ATOM 4824 O O . HIS B 2 298 ? -40.389 -50.050 6.766 1.00 40.70 ? 276 HIS B O 1 -ATOM 4825 C CB . HIS B 2 298 ? -37.897 -49.850 4.461 1.00 37.80 ? 276 HIS B CB 1 -ATOM 4826 C CG . HIS B 2 298 ? -37.877 -51.329 4.555 1.00 38.36 ? 276 HIS B CG 1 -ATOM 4827 N ND1 . HIS B 2 298 ? -36.977 -52.006 5.345 1.00 53.34 ? 276 HIS B ND1 1 -ATOM 4828 C CD2 . HIS B 2 298 ? -38.665 -52.278 3.986 1.00 47.20 ? 276 HIS B CD2 1 -ATOM 4829 C CE1 . HIS B 2 298 ? -37.192 -53.308 5.240 1.00 50.81 ? 276 HIS B CE1 1 -ATOM 4830 N NE2 . HIS B 2 298 ? -38.202 -53.500 4.411 1.00 28.30 ? 276 HIS B NE2 1 -ATOM 4831 N N . ALA B 2 299 ? -40.659 -48.669 5.016 1.00 35.57 ? 277 ALA B N 1 -ATOM 4832 C CA . ALA B 2 299 ? -42.115 -48.671 5.013 1.00 33.41 ? 277 ALA B CA 1 -ATOM 4833 C C . ALA B 2 299 ? -42.553 -48.153 3.672 1.00 42.06 ? 277 ALA B C 1 -ATOM 4834 O O . ALA B 2 299 ? -41.723 -47.658 2.893 1.00 35.92 ? 277 ALA B O 1 -ATOM 4835 C CB . ALA B 2 299 ? -42.679 -47.818 6.109 1.00 39.68 ? 277 ALA B CB 1 -ATOM 4836 N N . GLY B 2 300 ? -43.848 -48.267 3.396 1.00 37.16 ? 278 GLY B N 1 -ATOM 4837 C CA . GLY B 2 300 ? -44.407 -47.731 2.162 1.00 40.81 ? 278 GLY B CA 1 -ATOM 4838 C C . GLY B 2 300 ? -45.833 -48.176 1.909 1.00 42.37 ? 278 GLY B C 1 -ATOM 4839 O O . GLY B 2 300 ? -46.442 -48.793 2.773 1.00 39.21 ? 278 GLY B O 1 -ATOM 4840 N N . PHE B 2 301 ? -46.358 -47.867 0.727 1.00 48.46 ? 279 PHE B N 1 -ATOM 4841 C CA . PHE B 2 301 ? -47.706 -48.260 0.353 1.00 31.34 ? 279 PHE B CA 1 -ATOM 4842 C C . PHE B 2 301 ? -47.768 -48.629 -1.117 1.00 42.14 ? 279 PHE B C 1 -ATOM 4843 O O . PHE B 2 301 ? -46.864 -48.311 -1.894 1.00 46.38 ? 279 PHE B O 1 -ATOM 4844 C CB . PHE B 2 301 ? -48.703 -47.152 0.643 1.00 37.20 ? 279 PHE B CB 1 -ATOM 4845 C CG . PHE B 2 301 ? -48.429 -45.877 -0.121 1.00 38.19 ? 279 PHE B CG 1 -ATOM 4846 C CD1 . PHE B 2 301 ? -47.534 -44.946 0.361 1.00 46.10 ? 279 PHE B CD1 1 -ATOM 4847 C CD2 . PHE B 2 301 ? -49.068 -45.622 -1.320 1.00 38.77 ? 279 PHE B CD2 1 -ATOM 4848 C CE1 . PHE B 2 301 ? -47.270 -43.759 -0.351 1.00 41.15 ? 279 PHE B CE1 1 -ATOM 4849 C CE2 . PHE B 2 301 ? -48.820 -44.452 -2.037 1.00 40.74 ? 279 PHE B CE2 1 -ATOM 4850 C CZ . PHE B 2 301 ? -47.893 -43.532 -1.556 1.00 38.45 ? 279 PHE B CZ 1 -ATOM 4851 N N . ASN B 2 302 ? -48.826 -49.346 -1.479 1.00 39.79 ? 280 ASN B N 1 -ATOM 4852 C CA . ASN B 2 302 ? -49.121 -49.671 -2.862 1.00 40.46 ? 280 ASN B CA 1 -ATOM 4853 C C . ASN B 2 302 ? -50.006 -48.628 -3.534 1.00 38.68 ? 280 ASN B C 1 -ATOM 4854 O O . ASN B 2 302 ? -50.917 -48.107 -2.904 1.00 37.26 ? 280 ASN B O 1 -ATOM 4855 C CB . ASN B 2 302 ? -49.769 -51.051 -2.900 1.00 36.30 ? 280 ASN B CB 1 -ATOM 4856 C CG . ASN B 2 302 ? -48.792 -52.137 -2.530 1.00 43.81 ? 280 ASN B CG 1 -ATOM 4857 O OD1 . ASN B 2 302 ? -47.731 -52.242 -3.142 1.00 45.67 ? 280 ASN B OD1 1 -ATOM 4858 N ND2 . ASN B 2 302 ? -49.091 -52.892 -1.466 1.00 39.16 ? 280 ASN B ND2 1 -ATOM 4859 N N . HIS B 2 303 ? -49.734 -48.329 -4.806 1.00 42.64 ? 281 HIS B N 1 -ATOM 4860 C CA . HIS B 2 303 ? -50.535 -47.354 -5.561 1.00 44.19 ? 281 HIS B CA 1 -ATOM 4861 C C . HIS B 2 303 ? -51.817 -47.969 -6.082 1.00 53.33 ? 281 HIS B C 1 -ATOM 4862 O O . HIS B 2 303 ? -52.816 -47.279 -6.241 1.00 53.97 ? 281 HIS B O 1 -ATOM 4863 C CB . HIS B 2 303 ? -49.760 -46.786 -6.752 1.00 46.99 ? 281 HIS B CB 1 -ATOM 4864 C CG . HIS B 2 303 ? -48.643 -45.856 -6.378 1.00 54.46 ? 281 HIS B CG 1 -ATOM 4865 N ND1 . HIS B 2 303 ? -48.183 -44.874 -7.228 1.00 58.76 ? 281 HIS B ND1 1 -ATOM 4866 C CD2 . HIS B 2 303 ? -47.888 -45.764 -5.259 1.00 48.65 ? 281 HIS B CD2 1 -ATOM 4867 C CE1 . HIS B 2 303 ? -47.198 -44.213 -6.647 1.00 57.25 ? 281 HIS B CE1 1 -ATOM 4868 N NE2 . HIS B 2 303 ? -46.999 -44.734 -5.451 1.00 56.29 ? 281 HIS B NE2 1 -ATOM 4869 N N . GLY B 2 304 ? -51.778 -49.262 -6.392 1.00 43.77 ? 282 GLY B N 1 -ATOM 4870 C CA . GLY B 2 304 ? -52.965 -49.925 -6.876 1.00 39.03 ? 282 GLY B CA 1 -ATOM 4871 C C . GLY B 2 304 ? -52.702 -51.387 -7.042 1.00 52.47 ? 282 GLY B C 1 -ATOM 4872 O O . GLY B 2 304 ? -51.691 -51.902 -6.540 1.00 50.77 ? 282 GLY B O 1 -ATOM 4873 N N . PHE B 2 305 ? -53.587 -52.061 -7.769 1.00 54.16 ? 283 PHE B N 1 -ATOM 4874 C CA . PHE B 2 305 ? -53.463 -53.497 -7.896 1.00 45.72 ? 283 PHE B CA 1 -ATOM 4875 C C . PHE B 2 305 ? -52.145 -53.845 -8.522 1.00 51.03 ? 283 PHE B C 1 -ATOM 4876 O O . PHE B 2 305 ? -51.803 -53.355 -9.595 1.00 56.23 ? 283 PHE B O 1 -ATOM 4877 C CB . PHE B 2 305 ? -54.591 -54.113 -8.720 1.00 55.42 ? 283 PHE B CB 1 -ATOM 4878 C CG . PHE B 2 305 ? -54.380 -55.577 -8.994 1.00 63.23 ? 283 PHE B CG 1 -ATOM 4879 C CD1 . PHE B 2 305 ? -54.549 -56.512 -7.989 1.00 55.56 ? 283 PHE B CD1 1 -ATOM 4880 C CD2 . PHE B 2 305 ? -53.972 -56.011 -10.243 1.00 65.82 ? 283 PHE B CD2 1 -ATOM 4881 C CE1 . PHE B 2 305 ? -54.341 -57.853 -8.233 1.00 70.33 ? 283 PHE B CE1 1 -ATOM 4882 C CE2 . PHE B 2 305 ? -53.765 -57.350 -10.495 1.00 65.95 ? 283 PHE B CE2 1 -ATOM 4883 C CZ . PHE B 2 305 ? -53.949 -58.275 -9.491 1.00 69.66 ? 283 PHE B CZ 1 -ATOM 4884 N N . ASN B 2 306 ? -51.410 -54.706 -7.833 1.00 48.14 ? 284 ASN B N 1 -ATOM 4885 C CA . ASN B 2 306 ? -50.133 -55.169 -8.312 1.00 47.73 ? 284 ASN B CA 1 -ATOM 4886 C C . ASN B 2 306 ? -49.758 -56.473 -7.646 1.00 47.99 ? 284 ASN B C 1 -ATOM 4887 O O . ASN B 2 306 ? -50.519 -57.034 -6.854 1.00 56.65 ? 284 ASN B O 1 -ATOM 4888 C CB . ASN B 2 306 ? -49.034 -54.108 -8.094 1.00 51.24 ? 284 ASN B CB 1 -ATOM 4889 C CG . ASN B 2 306 ? -48.807 -53.744 -6.626 1.00 54.63 ? 284 ASN B CG 1 -ATOM 4890 O OD1 . ASN B 2 306 ? -49.226 -54.448 -5.698 1.00 52.28 ? 284 ASN B OD1 1 -ATOM 4891 N ND2 . ASN B 2 306 ? -48.100 -52.635 -6.416 1.00 49.49 ? 284 ASN B ND2 1 -ATOM 4892 N N . CYS B 2 307 ? -48.579 -56.958 -7.976 1.00 45.25 ? 285 CYS B N 1 -ATOM 4893 C CA . CYS B 2 307 ? -48.096 -58.170 -7.367 1.00 43.45 ? 285 CYS B CA 1 -ATOM 4894 C C . CYS B 2 307 ? -46.602 -58.113 -7.278 1.00 45.06 ? 285 CYS B C 1 -ATOM 4895 O O . CYS B 2 307 ? -45.942 -57.719 -8.230 1.00 46.98 ? 285 CYS B O 1 -ATOM 4896 C CB . CYS B 2 307 ? -48.539 -59.392 -8.149 1.00 50.58 ? 285 CYS B CB 1 -ATOM 4897 S SG . CYS B 2 307 ? -47.675 -60.867 -7.629 1.00 57.88 ? 285 CYS B SG 1 -ATOM 4898 N N . ALA B 2 308 ? -46.085 -58.438 -6.096 1.00 44.76 ? 286 ALA B N 1 -ATOM 4899 C CA . ALA B 2 308 ? -44.663 -58.431 -5.842 1.00 42.72 ? 286 ALA B CA 1 -ATOM 4900 C C . ALA B 2 308 ? -44.248 -59.749 -5.192 1.00 40.58 ? 286 ALA B C 1 -ATOM 4901 O O . ALA B 2 308 ? -44.991 -60.318 -4.415 1.00 51.43 ? 286 ALA B O 1 -ATOM 4902 C CB . ALA B 2 308 ? -44.275 -57.263 -4.936 1.00 31.63 ? 286 ALA B CB 1 -ATOM 4903 N N . GLU B 2 309 ? -43.047 -60.194 -5.513 1.00 39.38 ? 287 GLU B N 1 -ATOM 4904 C CA . GLU B 2 309 ? -42.419 -61.366 -4.926 1.00 53.60 ? 287 GLU B CA 1 -ATOM 4905 C C . GLU B 2 309 ? -41.194 -60.958 -4.137 1.00 47.44 ? 287 GLU B C 1 -ATOM 4906 O O . GLU B 2 309 ? -40.429 -60.106 -4.599 1.00 48.88 ? 287 GLU B O 1 -ATOM 4907 C CB . GLU B 2 309 ? -42.009 -62.353 -6.013 1.00 52.63 ? 287 GLU B CB 1 -ATOM 4908 C CG . GLU B 2 309 ? -41.616 -63.712 -5.498 1.00 54.55 ? 287 GLU B CG 1 -ATOM 4909 C CD . GLU B 2 309 ? -41.327 -64.698 -6.623 1.00 64.61 ? 287 GLU B CD 1 -ATOM 4910 O OE1 . GLU B 2 309 ? -42.038 -64.692 -7.655 1.00 61.27 ? 287 GLU B OE1 1 -ATOM 4911 O OE2 . GLU B 2 309 ? -40.347 -65.454 -6.477 1.00 63.60 ? 287 GLU B OE2 1 -ATOM 4912 N N . SER B 2 310 ? -40.975 -61.607 -2.994 1.00 48.28 ? 288 SER B N 1 -ATOM 4913 C CA . SER B 2 310 ? -39.921 -61.219 -2.059 1.00 50.48 ? 288 SER B CA 1 -ATOM 4914 C C . SER B 2 310 ? -39.303 -62.360 -1.230 1.00 55.28 ? 288 SER B C 1 -ATOM 4915 O O . SER B 2 310 ? -40.010 -63.297 -0.865 1.00 57.36 ? 288 SER B O 1 -ATOM 4916 C CB . SER B 2 310 ? -40.501 -60.158 -1.110 1.00 59.33 ? 288 SER B CB 1 -ATOM 4917 O OG . SER B 2 310 ? -39.686 -59.980 0.035 1.00 71.77 ? 288 SER B OG 1 -ATOM 4918 N N . THR B 2 311 ? -37.995 -62.260 -0.943 1.00 49.95 ? 289 THR B N 1 -ATOM 4919 C CA . THR B 2 311 ? -37.282 -63.088 0.060 1.00 53.19 ? 289 THR B CA 1 -ATOM 4920 C C . THR B 2 311 ? -36.158 -62.360 0.758 1.00 57.30 ? 289 THR B C 1 -ATOM 4921 O O . THR B 2 311 ? -35.656 -61.351 0.269 1.00 48.62 ? 289 THR B O 1 -ATOM 4922 C CB . THR B 2 311 ? -36.554 -64.364 -0.486 1.00 57.54 ? 289 THR B CB 1 -ATOM 4923 O OG1 . THR B 2 311 ? -35.840 -64.079 -1.699 1.00 60.59 ? 289 THR B OG1 1 -ATOM 4924 C CG2 . THR B 2 311 ? -37.494 -65.480 -0.696 1.00 59.08 ? 289 THR B CG2 1 -ATOM 4925 N N . ASN B 2 312 ? -35.709 -62.955 1.860 1.00 52.12 ? 290 ASN B N 1 -ATOM 4926 C CA . ASN B 2 312 ? -34.513 -62.513 2.540 1.00 47.15 ? 290 ASN B CA 1 -ATOM 4927 C C . ASN B 2 312 ? -33.289 -63.183 1.938 1.00 53.30 ? 290 ASN B C 1 -ATOM 4928 O O . ASN B 2 312 ? -33.412 -64.128 1.165 1.00 61.28 ? 290 ASN B O 1 -ATOM 4929 C CB . ASN B 2 312 ? -34.609 -62.794 4.037 1.00 38.30 ? 290 ASN B CB 1 -ATOM 4930 C CG . ASN B 2 312 ? -35.740 -62.000 4.704 1.00 63.77 ? 290 ASN B CG 1 -ATOM 4931 O OD1 . ASN B 2 312 ? -36.741 -62.572 5.151 1.00 62.15 ? 290 ASN B OD1 1 -ATOM 4932 N ND2 . ASN B 2 312 ? -35.597 -60.669 4.739 1.00 48.47 ? 290 ASN B ND2 1 -ATOM 4933 N N . PHE B 2 313 ? -32.116 -62.641 2.251 1.00 47.67 ? 291 PHE B N 1 -ATOM 4934 C CA . PHE B 2 313 ? -30.857 -63.229 1.853 1.00 45.01 ? 291 PHE B CA 1 -ATOM 4935 C C . PHE B 2 313 ? -29.774 -62.607 2.707 1.00 53.92 ? 291 PHE B C 1 -ATOM 4936 O O . PHE B 2 313 ? -30.056 -61.763 3.563 1.00 55.58 ? 291 PHE B O 1 -ATOM 4937 C CB . PHE B 2 313 ? -30.579 -63.045 0.353 1.00 49.97 ? 291 PHE B CB 1 -ATOM 4938 C CG . PHE B 2 313 ? -30.322 -61.619 -0.076 1.00 45.55 ? 291 PHE B CG 1 -ATOM 4939 C CD1 . PHE B 2 313 ? -29.046 -61.097 -0.065 1.00 47.89 ? 291 PHE B CD1 1 -ATOM 4940 C CD2 . PHE B 2 313 ? -31.353 -60.829 -0.548 1.00 48.08 ? 291 PHE B CD2 1 -ATOM 4941 C CE1 . PHE B 2 313 ? -28.801 -59.807 -0.480 1.00 45.10 ? 291 PHE B CE1 1 -ATOM 4942 C CE2 . PHE B 2 313 ? -31.124 -59.529 -0.967 1.00 49.62 ? 291 PHE B CE2 1 -ATOM 4943 C CZ . PHE B 2 313 ? -29.847 -59.016 -0.937 1.00 50.76 ? 291 PHE B CZ 1 -ATOM 4944 N N . ALA B 2 314 ? -28.537 -63.036 2.501 1.00 48.20 ? 292 ALA B N 1 -ATOM 4945 C CA . ALA B 2 314 ? -27.466 -62.614 3.385 1.00 40.61 ? 292 ALA B CA 1 -ATOM 4946 C C . ALA B 2 314 ? -26.156 -62.525 2.636 1.00 51.23 ? 292 ALA B C 1 -ATOM 4947 O O . ALA B 2 314 ? -26.044 -63.045 1.537 1.00 56.73 ? 292 ALA B O 1 -ATOM 4948 C CB . ALA B 2 314 ? -27.350 -63.571 4.568 1.00 55.50 ? 292 ALA B CB 1 -ATOM 4949 N N . THR B 2 315 ? -25.185 -61.840 3.235 1.00 46.08 ? 293 THR B N 1 -ATOM 4950 C CA . THR B 2 315 ? -23.802 -61.834 2.778 1.00 48.69 ? 293 THR B CA 1 -ATOM 4951 C C . THR B 2 315 ? -22.964 -61.965 4.028 1.00 47.03 ? 293 THR B C 1 -ATOM 4952 O O . THR B 2 315 ? -23.514 -62.151 5.108 1.00 51.79 ? 293 THR B O 1 -ATOM 4953 C CB . THR B 2 315 ? -23.404 -60.539 2.028 1.00 51.36 ? 293 THR B CB 1 -ATOM 4954 O OG1 . THR B 2 315 ? -23.290 -59.461 2.959 1.00 47.63 ? 293 THR B OG1 1 -ATOM 4955 C CG2 . THR B 2 315 ? -24.430 -60.192 0.970 1.00 55.03 ? 293 THR B CG2 1 -ATOM 4956 N N . ARG B 2 316 ? -21.643 -61.910 3.895 1.00 52.14 ? 294 ARG B N 1 -ATOM 4957 C CA . ARG B 2 316 ? -20.783 -62.041 5.070 1.00 51.22 ? 294 ARG B CA 1 -ATOM 4958 C C . ARG B 2 316 ? -20.943 -60.862 6.020 1.00 49.08 ? 294 ARG B C 1 -ATOM 4959 O O . ARG B 2 316 ? -20.913 -61.028 7.241 1.00 45.43 ? 294 ARG B O 1 -ATOM 4960 C CB . ARG B 2 316 ? -19.321 -62.173 4.661 1.00 63.59 ? 294 ARG B CB 1 -ATOM 4961 C CG . ARG B 2 316 ? -19.044 -63.353 3.756 1.00 75.73 ? 294 ARG B CG 1 -ATOM 4962 C CD . ARG B 2 316 ? -17.616 -63.858 3.911 1.00 76.43 ? 294 ARG B CD 1 -ATOM 4963 N NE . ARG B 2 316 ? -16.993 -64.098 2.608 1.00 94.88 ? 294 ARG B NE 1 -ATOM 4964 C CZ . ARG B 2 316 ? -17.377 -65.036 1.739 1.00 95.43 ? 294 ARG B CZ 1 -ATOM 4965 N NH1 . ARG B 2 316 ? -18.387 -65.852 2.019 1.00 97.13 ? 294 ARG B NH1 1 -ATOM 4966 N NH2 . ARG B 2 316 ? -16.742 -65.162 0.582 1.00 97.95 ? 294 ARG B NH2 1 -ATOM 4967 N N . ARG B 2 317 ? -21.117 -59.670 5.456 1.00 57.98 ? 295 ARG B N 1 -ATOM 4968 C CA . ARG B 2 317 ? -21.345 -58.473 6.257 1.00 47.39 ? 295 ARG B CA 1 -ATOM 4969 C C . ARG B 2 317 ? -22.597 -58.637 7.133 1.00 40.63 ? 295 ARG B C 1 -ATOM 4970 O O . ARG B 2 317 ? -22.638 -58.135 8.263 1.00 38.50 ? 295 ARG B O 1 -ATOM 4971 C CB . ARG B 2 317 ? -21.477 -57.248 5.347 1.00 60.57 ? 295 ARG B CB 1 -ATOM 4972 C CG . ARG B 2 317 ? -21.323 -55.906 6.055 1.00 64.84 ? 295 ARG B CG 1 -ATOM 4973 C CD . ARG B 2 317 ? -21.305 -54.782 5.036 1.00 53.42 ? 295 ARG B CD 1 -ATOM 4974 N NE . ARG B 2 317 ? -22.649 -54.642 4.517 1.00 61.07 ? 295 ARG B NE 1 -ATOM 4975 C CZ . ARG B 2 317 ? -23.576 -53.884 5.083 1.00 54.76 ? 295 ARG B CZ 1 -ATOM 4976 N NH1 . ARG B 2 317 ? -23.279 -53.159 6.157 1.00 52.40 ? 295 ARG B NH1 1 -ATOM 4977 N NH2 . ARG B 2 317 ? -24.793 -53.847 4.563 1.00 45.76 ? 295 ARG B NH2 1 -ATOM 4978 N N . TRP B 2 318 ? -23.606 -59.367 6.641 1.00 42.71 ? 296 TRP B N 1 -ATOM 4979 C CA . TRP B 2 318 ? -24.824 -59.566 7.448 1.00 39.77 ? 296 TRP B CA 1 -ATOM 4980 C C . TRP B 2 318 ? -24.548 -60.222 8.790 1.00 41.46 ? 296 TRP B C 1 -ATOM 4981 O O . TRP B 2 318 ? -25.228 -59.936 9.794 1.00 46.08 ? 296 TRP B O 1 -ATOM 4982 C CB . TRP B 2 318 ? -25.890 -60.405 6.734 1.00 44.16 ? 296 TRP B CB 1 -ATOM 4983 C CG . TRP B 2 318 ? -26.909 -60.846 7.755 1.00 49.40 ? 296 TRP B CG 1 -ATOM 4984 C CD1 . TRP B 2 318 ? -27.846 -60.046 8.375 1.00 43.46 ? 296 TRP B CD1 1 -ATOM 4985 C CD2 . TRP B 2 318 ? -27.055 -62.155 8.335 1.00 47.64 ? 296 TRP B CD2 1 -ATOM 4986 N NE1 . TRP B 2 318 ? -28.561 -60.775 9.290 1.00 48.39 ? 296 TRP B NE1 1 -ATOM 4987 C CE2 . TRP B 2 318 ? -28.102 -62.073 9.285 1.00 54.82 ? 296 TRP B CE2 1 -ATOM 4988 C CE3 . TRP B 2 318 ? -26.423 -63.390 8.129 1.00 57.60 ? 296 TRP B CE3 1 -ATOM 4989 C CZ2 . TRP B 2 318 ? -28.534 -63.178 10.021 1.00 47.71 ? 296 TRP B CZ2 1 -ATOM 4990 C CZ3 . TRP B 2 318 ? -26.859 -64.508 8.868 1.00 45.04 ? 296 TRP B CZ3 1 -ATOM 4991 C CH2 . TRP B 2 318 ? -27.901 -64.385 9.796 1.00 60.00 ? 296 TRP B CH2 1 -ATOM 4992 N N . ILE B 2 319 ? -23.565 -61.114 8.812 1.00 38.66 ? 297 ILE B N 1 -ATOM 4993 C CA . ILE B 2 319 ? -23.365 -61.998 9.969 1.00 43.34 ? 297 ILE B CA 1 -ATOM 4994 C C . ILE B 2 319 ? -23.295 -61.289 11.306 1.00 39.60 ? 297 ILE B C 1 -ATOM 4995 O O . ILE B 2 319 ? -23.970 -61.670 12.260 1.00 48.84 ? 297 ILE B O 1 -ATOM 4996 C CB . ILE B 2 319 ? -22.075 -62.852 9.807 1.00 47.64 ? 297 ILE B CB 1 -ATOM 4997 C CG1 . ILE B 2 319 ? -22.268 -63.884 8.705 1.00 44.04 ? 297 ILE B CG1 1 -ATOM 4998 C CG2 . ILE B 2 319 ? -21.719 -63.531 11.121 1.00 51.15 ? 297 ILE B CG2 1 -ATOM 4999 C CD1 . ILE B 2 319 ? -21.113 -64.843 8.564 1.00 53.74 ? 297 ILE B CD1 1 -ATOM 5000 N N . GLU B 2 320 ? -22.492 -60.241 11.383 1.00 40.62 ? 298 GLU B N 1 -ATOM 5001 C CA . GLU B 2 320 ? -22.358 -59.493 12.623 1.00 43.55 ? 298 GLU B CA 1 -ATOM 5002 C C . GLU B 2 320 ? -23.671 -58.841 13.038 1.00 39.96 ? 298 GLU B C 1 -ATOM 5003 O O . GLU B 2 320 ? -23.983 -58.731 14.220 1.00 44.14 ? 298 GLU B O 1 -ATOM 5004 C CB . GLU B 2 320 ? -21.288 -58.402 12.465 1.00 50.25 ? 298 GLU B CB 1 -ATOM 5005 C CG . GLU B 2 320 ? -20.843 -57.820 13.774 1.00 56.50 ? 298 GLU B CG 1 -ATOM 5006 C CD . GLU B 2 320 ? -20.137 -58.847 14.637 1.00 76.12 ? 298 GLU B CD 1 -ATOM 5007 O OE1 . GLU B 2 320 ? -19.254 -59.558 14.089 1.00 74.97 ? 298 GLU B OE1 1 -ATOM 5008 O OE2 . GLU B 2 320 ? -20.459 -58.938 15.852 1.00 67.76 ? 298 GLU B OE2 1 -ATOM 5009 N N . TYR B 2 321 ? -24.438 -58.395 12.055 1.00 35.51 ? 299 TYR B N 1 -ATOM 5010 C CA . TYR B 2 321 ? -25.757 -57.850 12.353 1.00 45.44 ? 299 TYR B CA 1 -ATOM 5011 C C . TYR B 2 321 ? -26.604 -58.957 12.969 1.00 46.95 ? 299 TYR B C 1 -ATOM 5012 O O . TYR B 2 321 ? -27.335 -58.737 13.936 1.00 45.43 ? 299 TYR B O 1 -ATOM 5013 C CB . TYR B 2 321 ? -26.430 -57.274 11.087 1.00 40.33 ? 299 TYR B CB 1 -ATOM 5014 C CG . TYR B 2 321 ? -25.820 -55.971 10.587 1.00 44.32 ? 299 TYR B CG 1 -ATOM 5015 C CD1 . TYR B 2 321 ? -26.273 -54.744 11.061 1.00 55.40 ? 299 TYR B CD1 1 -ATOM 5016 C CD2 . TYR B 2 321 ? -24.821 -55.966 9.629 1.00 46.35 ? 299 TYR B CD2 1 -ATOM 5017 C CE1 . TYR B 2 321 ? -25.733 -53.552 10.611 1.00 53.62 ? 299 TYR B CE1 1 -ATOM 5018 C CE2 . TYR B 2 321 ? -24.276 -54.772 9.170 1.00 51.31 ? 299 TYR B CE2 1 -ATOM 5019 C CZ . TYR B 2 321 ? -24.743 -53.572 9.670 1.00 46.31 ? 299 TYR B CZ 1 -ATOM 5020 O OH . TYR B 2 321 ? -24.219 -52.384 9.227 1.00 67.35 ? 299 TYR B OH 1 -ATOM 5021 N N . GLY B 2 322 ? -26.473 -60.163 12.419 1.00 45.19 ? 300 GLY B N 1 -ATOM 5022 C CA . GLY B 2 322 ? -27.274 -61.279 12.891 1.00 46.96 ? 300 GLY B CA 1 -ATOM 5023 C C . GLY B 2 322 ? -27.076 -61.479 14.362 1.00 47.25 ? 300 GLY B C 1 -ATOM 5024 O O . GLY B 2 322 ? -28.046 -61.644 15.096 1.00 48.42 ? 300 GLY B O 1 -ATOM 5025 N N . LYS B 2 323 ? -25.817 -61.384 14.797 1.00 54.98 ? 301 LYS B N 1 -ATOM 5026 C CA . LYS B 2 323 ? -25.427 -61.668 16.185 1.00 54.78 ? 301 LYS B CA 1 -ATOM 5027 C C . LYS B 2 323 ? -25.948 -60.654 17.211 1.00 55.81 ? 301 LYS B C 1 -ATOM 5028 O O . LYS B 2 323 ? -26.215 -60.987 18.363 1.00 64.88 ? 301 LYS B O 1 -ATOM 5029 C CB . LYS B 2 323 ? -23.899 -61.748 16.277 1.00 52.95 ? 301 LYS B CB 1 -ATOM 5030 C CG . LYS B 2 323 ? -23.309 -62.953 15.540 1.00 57.45 ? 301 LYS B CG 1 -ATOM 5031 C CD . LYS B 2 323 ? -21.835 -62.731 15.163 1.00 51.58 ? 301 LYS B CD 1 -ATOM 5032 C CE . LYS B 2 323 ? -20.959 -62.506 16.376 1.00 49.28 ? 301 LYS B CE 1 -ATOM 5033 N NZ . LYS B 2 323 ? -19.540 -62.271 15.973 1.00 62.99 ? 301 LYS B NZ 1 -ATOM 5034 N N . GLN B 2 324 ? -26.119 -59.415 16.792 1.00 57.57 ? 302 GLN B N 1 -ATOM 5035 C CA . GLN B 2 324 ? -26.459 -58.380 17.750 1.00 63.18 ? 302 GLN B CA 1 -ATOM 5036 C C . GLN B 2 324 ? -27.914 -57.995 17.671 1.00 60.40 ? 302 GLN B C 1 -ATOM 5037 O O . GLN B 2 324 ? -28.393 -57.187 18.470 1.00 66.10 ? 302 GLN B O 1 -ATOM 5038 C CB . GLN B 2 324 ? -25.583 -57.157 17.522 1.00 59.20 ? 302 GLN B CB 1 -ATOM 5039 C CG . GLN B 2 324 ? -24.122 -57.519 17.509 1.00 65.87 ? 302 GLN B CG 1 -ATOM 5040 C CD . GLN B 2 324 ? -23.235 -56.313 17.390 1.00 69.47 ? 302 GLN B CD 1 -ATOM 5041 O OE1 . GLN B 2 324 ? -23.706 -55.174 17.469 1.00 78.13 ? 302 GLN B OE1 1 -ATOM 5042 N NE2 . GLN B 2 324 ? -21.936 -56.550 17.215 1.00 66.55 ? 302 GLN B NE2 1 -ATOM 5043 N N . ALA B 2 325 ? -28.612 -58.561 16.696 1.00 52.54 ? 303 ALA B N 1 -ATOM 5044 C CA . ALA B 2 325 ? -29.997 -58.174 16.456 1.00 58.51 ? 303 ALA B CA 1 -ATOM 5045 C C . ALA B 2 325 ? -30.851 -58.367 17.704 1.00 63.63 ? 303 ALA B C 1 -ATOM 5046 O O . ALA B 2 325 ? -30.749 -59.387 18.392 1.00 56.59 ? 303 ALA B O 1 -ATOM 5047 C CB . ALA B 2 325 ? -30.571 -58.950 15.290 1.00 53.18 ? 303 ALA B CB 1 -ATOM 5048 N N . VAL B 2 326 ? -31.664 -57.360 18.008 1.00 53.79 ? 304 VAL B N 1 -ATOM 5049 C CA . VAL B 2 326 ? -32.632 -57.452 19.091 1.00 49.72 ? 304 VAL B CA 1 -ATOM 5050 C C . VAL B 2 326 ? -33.928 -58.041 18.520 1.00 56.26 ? 304 VAL B C 1 -ATOM 5051 O O . VAL B 2 326 ? -34.446 -57.550 17.504 1.00 58.60 ? 304 VAL B O 1 -ATOM 5052 C CB . VAL B 2 326 ? -32.896 -56.071 19.725 1.00 55.01 ? 304 VAL B CB 1 -ATOM 5053 C CG1 . VAL B 2 326 ? -33.740 -56.216 20.992 1.00 62.62 ? 304 VAL B CG1 1 -ATOM 5054 C CG2 . VAL B 2 326 ? -31.580 -55.386 20.023 1.00 46.62 ? 304 VAL B CG2 1 -ATOM 5055 N N . LEU B 2 327 ? -34.430 -59.108 19.138 1.00 55.84 ? 305 LEU B N 1 -ATOM 5056 C CA . LEU B 2 327 ? -35.616 -59.806 18.621 1.00 59.75 ? 305 LEU B CA 1 -ATOM 5057 C C . LEU B 2 327 ? -36.866 -59.567 19.487 1.00 48.15 ? 305 LEU B C 1 -ATOM 5058 O O . LEU B 2 327 ? -36.770 -59.124 20.631 1.00 58.02 ? 305 LEU B O 1 -ATOM 5059 C CB . LEU B 2 327 ? -35.329 -61.323 18.497 1.00 63.49 ? 305 LEU B CB 1 -ATOM 5060 N N . CYS B 2 328 ? -38.040 -59.864 18.939 1.00 62.80 ? 306 CYS B N 1 -ATOM 5061 C CA . CYS B 2 328 ? -39.294 -59.729 19.689 1.00 62.24 ? 306 CYS B CA 1 -ATOM 5062 C C . CYS B 2 328 ? -39.222 -60.543 20.995 1.00 72.29 ? 306 CYS B C 1 -ATOM 5063 O O . CYS B 2 328 ? -38.681 -61.654 21.006 1.00 59.16 ? 306 CYS B O 1 -ATOM 5064 C CB . CYS B 2 328 ? -40.478 -60.176 18.822 1.00 71.37 ? 306 CYS B CB 1 -ATOM 5065 S SG . CYS B 2 328 ? -42.124 -60.091 19.588 1.00 63.63 ? 306 CYS B SG 1 -ATOM 5066 N N . SER B 2 329 ? -39.716 -59.980 22.100 1.00 64.49 ? 307 SER B N 1 -ATOM 5067 C CA . SER B 2 329 ? -39.587 -60.647 23.401 1.00 67.37 ? 307 SER B CA 1 -ATOM 5068 C C . SER B 2 329 ? -40.915 -61.175 23.951 1.00 69.22 ? 307 SER B C 1 -ATOM 5069 O O . SER B 2 329 ? -40.950 -61.702 25.058 1.00 70.67 ? 307 SER B O 1 -ATOM 5070 C CB . SER B 2 329 ? -38.971 -59.702 24.443 1.00 69.57 ? 307 SER B CB 1 -ATOM 5071 O OG . SER B 2 329 ? -39.845 -58.629 24.761 1.00 71.26 ? 307 SER B OG 1 -ATOM 5072 N N . CYS B 2 330 ? -41.998 -61.036 23.186 1.00 70.76 ? 308 CYS B N 1 -ATOM 5073 C CA . CYS B 2 330 ? -43.346 -61.248 23.724 1.00 67.57 ? 308 CYS B CA 1 -ATOM 5074 C C . CYS B 2 330 ? -44.237 -62.242 22.951 1.00 70.87 ? 308 CYS B C 1 -ATOM 5075 O O . CYS B 2 330 ? -45.401 -62.427 23.310 1.00 75.91 ? 308 CYS B O 1 -ATOM 5076 C CB . CYS B 2 330 ? -44.075 -59.902 23.825 1.00 70.27 ? 308 CYS B CB 1 -ATOM 5077 S SG . CYS B 2 330 ? -44.630 -59.233 22.240 1.00 68.79 ? 308 CYS B SG 1 -ATOM 5078 N N . ARG B 2 331 ? -43.697 -62.916 21.937 1.00 74.60 ? 309 ARG B N 1 -ATOM 5079 C CA . ARG B 2 331 ? -44.509 -63.822 21.116 1.00 81.09 ? 309 ARG B CA 1 -ATOM 5080 C C . ARG B 2 331 ? -43.888 -65.206 20.923 1.00 92.22 ? 309 ARG B C 1 -ATOM 5081 O O . ARG B 2 331 ? -42.679 -65.388 21.080 1.00 91.27 ? 309 ARG B O 1 -ATOM 5082 C CB . ARG B 2 331 ? -44.775 -63.203 19.740 1.00 71.03 ? 309 ARG B CB 1 -ATOM 5083 C CG . ARG B 2 331 ? -45.884 -62.187 19.743 1.00 67.60 ? 309 ARG B CG 1 -ATOM 5084 C CD . ARG B 2 331 ? -46.204 -61.711 18.346 1.00 76.21 ? 309 ARG B CD 1 -ATOM 5085 N NE . ARG B 2 331 ? -47.074 -60.535 18.374 1.00 81.14 ? 309 ARG B NE 1 -ATOM 5086 C CZ . ARG B 2 331 ? -46.986 -59.534 17.506 1.00 80.61 ? 309 ARG B CZ 1 -ATOM 5087 N NH1 . ARG B 2 331 ? -46.067 -59.575 16.547 1.00 77.73 ? 309 ARG B NH1 1 -ATOM 5088 N NH2 . ARG B 2 331 ? -47.805 -58.492 17.595 1.00 79.62 ? 309 ARG B NH2 1 -ATOM 5089 N N . LYS B 2 332 ? -44.735 -66.169 20.558 1.00 94.42 ? 310 LYS B N 1 -ATOM 5090 C CA . LYS B 2 332 ? -44.336 -67.571 20.444 1.00 94.30 ? 310 LYS B CA 1 -ATOM 5091 C C . LYS B 2 332 ? -43.678 -67.921 19.109 1.00 92.64 ? 310 LYS B C 1 -ATOM 5092 O O . LYS B 2 332 ? -42.489 -68.239 19.060 1.00 86.36 ? 310 LYS B O 1 -ATOM 5093 C CB . LYS B 2 332 ? -45.560 -68.469 20.663 1.00 82.28 ? 310 LYS B CB 1 -ATOM 5094 N N . ASP B 2 333 ? -44.454 -67.860 18.034 1.00 92.29 ? 311 ASP B N 1 -ATOM 5095 C CA . ASP B 2 333 ? -43.986 -68.264 16.713 1.00 87.70 ? 311 ASP B CA 1 -ATOM 5096 C C . ASP B 2 333 ? -43.198 -67.163 15.987 1.00 94.86 ? 311 ASP B C 1 -ATOM 5097 O O . ASP B 2 333 ? -43.503 -66.839 14.838 1.00 96.85 ? 311 ASP B O 1 -ATOM 5098 C CB . ASP B 2 333 ? -45.173 -68.713 15.855 1.00 92.00 ? 311 ASP B CB 1 -ATOM 5099 N N . MET B 2 334 ? -42.194 -66.590 16.654 1.00 95.39 ? 312 MET B N 1 -ATOM 5100 C CA . MET B 2 334 ? -41.339 -65.564 16.039 1.00 88.54 ? 312 MET B CA 1 -ATOM 5101 C C . MET B 2 334 ? -40.024 -66.109 15.498 1.00 87.24 ? 312 MET B C 1 -ATOM 5102 O O . MET B 2 334 ? -39.390 -66.973 16.105 1.00 82.33 ? 312 MET B O 1 -ATOM 5103 C CB . MET B 2 334 ? -41.021 -64.439 17.031 1.00 78.97 ? 312 MET B CB 1 -ATOM 5104 C CG . MET B 2 334 ? -42.099 -63.383 17.214 1.00 80.69 ? 312 MET B CG 1 -ATOM 5105 S SD . MET B 2 334 ? -42.250 -62.342 15.742 1.00 116.83 ? 312 MET B SD 1 -ATOM 5106 C CE . MET B 2 334 ? -43.050 -60.856 16.369 1.00 71.15 ? 312 MET B CE 1 -ATOM 5107 N N . VAL B 2 335 ? -39.630 -65.572 14.346 1.00 82.30 ? 313 VAL B N 1 -ATOM 5108 C CA . VAL B 2 335 ? -38.421 -65.979 13.637 1.00 81.59 ? 313 VAL B CA 1 -ATOM 5109 C C . VAL B 2 335 ? -37.141 -65.658 14.415 1.00 80.45 ? 313 VAL B C 1 -ATOM 5110 O O . VAL B 2 335 ? -36.787 -64.494 14.601 1.00 73.28 ? 313 VAL B O 1 -ATOM 5111 C CB . VAL B 2 335 ? -38.339 -65.306 12.237 1.00 70.31 ? 313 VAL B CB 1 -ATOM 5112 C CG1 . VAL B 2 335 ? -37.028 -65.645 11.557 1.00 72.00 ? 313 VAL B CG1 1 -ATOM 5113 C CG2 . VAL B 2 335 ? -39.504 -65.738 11.370 1.00 73.23 ? 313 VAL B CG2 1 -ATOM 5114 N N . LYS B 2 336 ? -36.474 -66.714 14.877 1.00 75.74 ? 314 LYS B N 1 -ATOM 5115 C CA . LYS B 2 336 ? -35.158 -66.637 15.501 1.00 65.38 ? 314 LYS B CA 1 -ATOM 5116 C C . LYS B 2 336 ? -34.268 -67.579 14.718 1.00 74.01 ? 314 LYS B C 1 -ATOM 5117 O O . LYS B 2 336 ? -34.695 -68.658 14.323 1.00 69.47 ? 314 LYS B O 1 -ATOM 5118 C CB . LYS B 2 336 ? -35.188 -67.029 16.982 1.00 56.38 ? 314 LYS B CB 1 -ATOM 5119 N N . ILE B 2 337 ? -33.048 -67.153 14.435 1.00 74.31 ? 315 ILE B N 1 -ATOM 5120 C CA . ILE B 2 337 ? -32.149 -67.990 13.661 1.00 61.20 ? 315 ILE B CA 1 -ATOM 5121 C C . ILE B 2 337 ? -30.892 -68.218 14.480 1.00 68.45 ? 315 ILE B C 1 -ATOM 5122 O O . ILE B 2 337 ? -30.341 -67.280 15.065 1.00 62.98 ? 315 ILE B O 1 -ATOM 5123 C CB . ILE B 2 337 ? -31.799 -67.349 12.306 1.00 70.62 ? 315 ILE B CB 1 -ATOM 5124 C CG1 . ILE B 2 337 ? -33.039 -67.317 11.411 1.00 65.18 ? 315 ILE B CG1 1 -ATOM 5125 C CG2 . ILE B 2 337 ? -30.590 -68.049 11.648 1.00 59.77 ? 315 ILE B CG2 1 -ATOM 5126 C CD1 . ILE B 2 337 ? -32.815 -66.652 10.080 1.00 65.90 ? 315 ILE B CD1 1 -ATOM 5127 N N . SER B 2 338 ? -30.463 -69.471 14.554 1.00 67.13 ? 316 SER B N 1 -ATOM 5128 C CA . SER B 2 338 ? -29.226 -69.796 15.240 1.00 63.45 ? 316 SER B CA 1 -ATOM 5129 C C . SER B 2 338 ? -28.045 -69.256 14.458 1.00 50.30 ? 316 SER B C 1 -ATOM 5130 O O . SER B 2 338 ? -27.850 -69.628 13.295 1.00 56.87 ? 316 SER B O 1 -ATOM 5131 C CB . SER B 2 338 ? -29.079 -71.304 15.418 1.00 54.31 ? 316 SER B CB 1 -ATOM 5132 O OG . SER B 2 338 ? -27.860 -71.597 16.074 1.00 68.63 ? 316 SER B OG 1 -ATOM 5133 N N . MET B 2 339 ? -27.256 -68.391 15.096 1.00 51.39 ? 317 MET B N 1 -ATOM 5134 C CA . MET B 2 339 ? -26.076 -67.804 14.457 1.00 54.90 ? 317 MET B CA 1 -ATOM 5135 C C . MET B 2 339 ? -24.837 -68.715 14.536 1.00 55.70 ? 317 MET B C 1 -ATOM 5136 O O . MET B 2 339 ? -23.820 -68.476 13.876 1.00 52.44 ? 317 MET B O 1 -ATOM 5137 C CB . MET B 2 339 ? -25.753 -66.466 15.115 1.00 48.31 ? 317 MET B CB 1 -ATOM 5138 C CG . MET B 2 339 ? -26.846 -65.418 14.931 1.00 63.78 ? 317 MET B CG 1 -ATOM 5139 S SD . MET B 2 339 ? -27.129 -65.128 13.178 1.00 59.67 ? 317 MET B SD 1 -ATOM 5140 C CE . MET B 2 339 ? -25.569 -64.353 12.734 1.00 40.25 ? 317 MET B CE 1 -ATOM 5141 N N . ASP B 2 340 ? -24.952 -69.762 15.338 1.00 55.52 ? 318 ASP B N 1 -ATOM 5142 C CA . ASP B 2 340 ? -23.827 -70.619 15.675 1.00 60.84 ? 318 ASP B CA 1 -ATOM 5143 C C . ASP B 2 340 ? -23.086 -71.085 14.409 1.00 57.98 ? 318 ASP B C 1 -ATOM 5144 O O . ASP B 2 340 ? -21.899 -70.778 14.223 1.00 56.03 ? 318 ASP B O 1 -ATOM 5145 C CB . ASP B 2 340 ? -24.339 -71.784 16.515 1.00 57.95 ? 318 ASP B CB 1 -ATOM 5146 C CG . ASP B 2 340 ? -23.284 -72.349 17.431 1.00 73.21 ? 318 ASP B CG 1 -ATOM 5147 O OD1 . ASP B 2 340 ? -22.536 -73.250 16.986 1.00 72.05 ? 318 ASP B OD1 1 -ATOM 5148 O OD2 . ASP B 2 340 ? -23.198 -71.875 18.589 1.00 72.07 ? 318 ASP B OD2 1 -ATOM 5149 N N . VAL B 2 341 ? -23.811 -71.718 13.497 1.00 49.72 ? 319 VAL B N 1 -ATOM 5150 C CA . VAL B 2 341 ? -23.242 -72.157 12.223 1.00 49.88 ? 319 VAL B CA 1 -ATOM 5151 C C . VAL B 2 341 ? -22.527 -71.063 11.408 1.00 53.28 ? 319 VAL B C 1 -ATOM 5152 O O . VAL B 2 341 ? -21.482 -71.327 10.797 1.00 47.68 ? 319 VAL B O 1 -ATOM 5153 C CB . VAL B 2 341 ? -24.353 -72.816 11.338 1.00 52.22 ? 319 VAL B CB 1 -ATOM 5154 C CG1 . VAL B 2 341 ? -25.499 -71.847 11.030 1.00 53.11 ? 319 VAL B CG1 1 -ATOM 5155 C CG2 . VAL B 2 341 ? -23.756 -73.406 10.070 1.00 48.18 ? 319 VAL B CG2 1 -ATOM 5156 N N . PHE B 2 342 ? -23.081 -69.848 11.377 1.00 60.24 ? 320 PHE B N 1 -ATOM 5157 C CA . PHE B 2 342 ? -22.472 -68.763 10.595 1.00 51.51 ? 320 PHE B CA 1 -ATOM 5158 C C . PHE B 2 342 ? -21.156 -68.330 11.215 1.00 47.77 ? 320 PHE B C 1 -ATOM 5159 O O . PHE B 2 342 ? -20.159 -68.121 10.517 1.00 51.05 ? 320 PHE B O 1 -ATOM 5160 C CB . PHE B 2 342 ? -23.417 -67.563 10.475 1.00 49.55 ? 320 PHE B CB 1 -ATOM 5161 C CG . PHE B 2 342 ? -24.582 -67.816 9.577 1.00 44.54 ? 320 PHE B CG 1 -ATOM 5162 C CD1 . PHE B 2 342 ? -24.444 -67.699 8.208 1.00 42.36 ? 320 PHE B CD1 1 -ATOM 5163 C CD2 . PHE B 2 342 ? -25.800 -68.217 10.100 1.00 47.47 ? 320 PHE B CD2 1 -ATOM 5164 C CE1 . PHE B 2 342 ? -25.506 -67.969 7.372 1.00 53.27 ? 320 PHE B CE1 1 -ATOM 5165 C CE2 . PHE B 2 342 ? -26.870 -68.485 9.272 1.00 49.27 ? 320 PHE B CE2 1 -ATOM 5166 C CZ . PHE B 2 342 ? -26.728 -68.358 7.905 1.00 46.57 ? 320 PHE B CZ 1 -ATOM 5167 N N . VAL B 2 343 ? -21.145 -68.235 12.534 1.00 53.31 ? 321 VAL B N 1 -ATOM 5168 C CA . VAL B 2 343 ? -19.962 -67.771 13.228 1.00 53.32 ? 321 VAL B CA 1 -ATOM 5169 C C . VAL B 2 343 ? -18.854 -68.810 13.124 1.00 57.93 ? 321 VAL B C 1 -ATOM 5170 O O . VAL B 2 343 ? -17.683 -68.475 12.848 1.00 48.45 ? 321 VAL B O 1 -ATOM 5171 C CB . VAL B 2 343 ? -20.285 -67.474 14.699 1.00 50.16 ? 321 VAL B CB 1 -ATOM 5172 C CG1 . VAL B 2 343 ? -19.039 -66.975 15.450 1.00 52.19 ? 321 VAL B CG1 1 -ATOM 5173 C CG2 . VAL B 2 343 ? -21.441 -66.453 14.778 1.00 47.70 ? 321 VAL B CG2 1 -ATOM 5174 N N . ARG B 2 344 ? -19.255 -70.072 13.271 1.00 53.12 ? 322 ARG B N 1 -ATOM 5175 C CA . ARG B 2 344 ? -18.333 -71.207 13.234 1.00 52.08 ? 322 ARG B CA 1 -ATOM 5176 C C . ARG B 2 344 ? -17.638 -71.296 11.890 1.00 47.46 ? 322 ARG B C 1 -ATOM 5177 O O . ARG B 2 344 ? -16.430 -71.484 11.842 1.00 64.47 ? 322 ARG B O 1 -ATOM 5178 C CB . ARG B 2 344 ? -19.079 -72.512 13.530 1.00 53.96 ? 322 ARG B CB 1 -ATOM 5179 C CG . ARG B 2 344 ? -18.204 -73.738 13.492 1.00 58.38 ? 322 ARG B CG 1 -ATOM 5180 C CD . ARG B 2 344 ? -19.037 -75.003 13.689 1.00 62.55 ? 322 ARG B CD 1 -ATOM 5181 N NE . ARG B 2 344 ? -19.763 -74.977 14.954 1.00 70.09 ? 322 ARG B NE 1 -ATOM 5182 C CZ . ARG B 2 344 ? -20.566 -75.952 15.373 1.00 87.47 ? 322 ARG B CZ 1 -ATOM 5183 N NH1 . ARG B 2 344 ? -20.750 -77.032 14.619 1.00 88.66 ? 322 ARG B NH1 1 -ATOM 5184 N NH2 . ARG B 2 344 ? -21.193 -75.847 16.543 1.00 81.76 ? 322 ARG B NH2 1 -ATOM 5185 N N . LYS B 2 345 ? -18.395 -71.124 10.804 1.00 52.27 ? 323 LYS B N 1 -ATOM 5186 C CA . LYS B 2 345 ? -17.852 -71.249 9.446 1.00 48.30 ? 323 LYS B CA 1 -ATOM 5187 C C . LYS B 2 345 ? -17.155 -69.981 8.897 1.00 61.29 ? 323 LYS B C 1 -ATOM 5188 O O . LYS B 2 345 ? -16.185 -70.093 8.146 1.00 65.58 ? 323 LYS B O 1 -ATOM 5189 C CB . LYS B 2 345 ? -18.954 -71.673 8.471 1.00 49.73 ? 323 LYS B CB 1 -ATOM 5190 N N . PHE B 2 346 ? -17.633 -68.784 9.247 1.00 64.26 ? 324 PHE B N 1 -ATOM 5191 C CA . PHE B 2 346 ? -17.091 -67.550 8.630 1.00 53.94 ? 324 PHE B CA 1 -ATOM 5192 C C . PHE B 2 346 ? -16.251 -66.695 9.562 1.00 48.72 ? 324 PHE B C 1 -ATOM 5193 O O . PHE B 2 346 ? -15.494 -65.848 9.102 1.00 56.15 ? 324 PHE B O 1 -ATOM 5194 C CB . PHE B 2 346 ? -18.224 -66.701 8.057 1.00 51.75 ? 324 PHE B CB 1 -ATOM 5195 C CG . PHE B 2 346 ? -18.998 -67.387 6.970 1.00 50.72 ? 324 PHE B CG 1 -ATOM 5196 C CD1 . PHE B 2 346 ? -18.553 -67.348 5.654 1.00 61.18 ? 324 PHE B CD1 1 -ATOM 5197 C CD2 . PHE B 2 346 ? -20.141 -68.115 7.267 1.00 60.80 ? 324 PHE B CD2 1 -ATOM 5198 C CE1 . PHE B 2 346 ? -19.247 -67.996 4.644 1.00 60.52 ? 324 PHE B CE1 1 -ATOM 5199 C CE2 . PHE B 2 346 ? -20.856 -68.774 6.257 1.00 51.59 ? 324 PHE B CE2 1 -ATOM 5200 C CZ . PHE B 2 346 ? -20.406 -68.714 4.946 1.00 53.02 ? 324 PHE B CZ 1 -ATOM 5201 N N . GLN B 2 347 ? -16.371 -66.922 10.865 1.00 57.29 ? 325 GLN B N 1 -ATOM 5202 C CA . GLN B 2 347 ? -15.528 -66.242 11.843 1.00 45.27 ? 325 GLN B CA 1 -ATOM 5203 C C . GLN B 2 347 ? -14.936 -67.233 12.862 1.00 55.77 ? 325 GLN B C 1 -ATOM 5204 O O . GLN B 2 347 ? -15.158 -67.095 14.066 1.00 54.47 ? 325 GLN B O 1 -ATOM 5205 C CB . GLN B 2 347 ? -16.314 -65.153 12.580 1.00 56.89 ? 325 GLN B CB 1 -ATOM 5206 C CG . GLN B 2 347 ? -16.932 -64.092 11.664 1.00 61.12 ? 325 GLN B CG 1 -ATOM 5207 C CD . GLN B 2 347 ? -17.746 -63.041 12.415 1.00 65.37 ? 325 GLN B CD 1 -ATOM 5208 O OE1 . GLN B 2 347 ? -18.072 -63.205 13.593 1.00 63.59 ? 325 GLN B OE1 1 -ATOM 5209 N NE2 . GLN B 2 347 ? -18.060 -61.937 11.732 1.00 78.88 ? 325 GLN B NE2 1 -ATOM 5210 N N . PRO B 2 348 ? -14.190 -68.249 12.384 1.00 47.91 ? 326 PRO B N 1 -ATOM 5211 C CA . PRO B 2 348 ? -13.716 -69.280 13.321 1.00 53.23 ? 326 PRO B CA 1 -ATOM 5212 C C . PRO B 2 348 ? -12.784 -68.713 14.415 1.00 63.14 ? 326 PRO B C 1 -ATOM 5213 O O . PRO B 2 348 ? -12.732 -69.216 15.551 1.00 48.84 ? 326 PRO B O 1 -ATOM 5214 C CB . PRO B 2 348 ? -12.979 -70.273 12.407 1.00 52.08 ? 326 PRO B CB 1 -ATOM 5215 C CG . PRO B 2 348 ? -12.615 -69.486 11.196 1.00 57.41 ? 326 PRO B CG 1 -ATOM 5216 C CD . PRO B 2 348 ? -13.740 -68.497 11.007 1.00 46.55 ? 326 PRO B CD 1 -ATOM 5217 N N . GLU B 2 349 ? -12.101 -67.620 14.088 1.00 54.92 ? 327 GLU B N 1 -ATOM 5218 C CA . GLU B 2 349 ? -11.175 -67.001 15.021 1.00 48.93 ? 327 GLU B CA 1 -ATOM 5219 C C . GLU B 2 349 ? -11.901 -66.363 16.205 1.00 56.22 ? 327 GLU B C 1 -ATOM 5220 O O . GLU B 2 349 ? -11.313 -66.184 17.271 1.00 58.98 ? 327 GLU B O 1 -ATOM 5221 C CB . GLU B 2 349 ? -10.316 -65.951 14.294 1.00 64.48 ? 327 GLU B CB 1 -ATOM 5222 C CG . GLU B 2 349 ? -11.075 -64.690 13.824 1.00 64.41 ? 327 GLU B CG 1 -ATOM 5223 C CD . GLU B 2 349 ? -12.044 -64.905 12.641 1.00 70.97 ? 327 GLU B CD 1 -ATOM 5224 O OE1 . GLU B 2 349 ? -12.171 -66.037 12.107 1.00 59.06 ? 327 GLU B OE1 1 -ATOM 5225 O OE2 . GLU B 2 349 ? -12.711 -63.913 12.260 1.00 82.28 ? 327 GLU B OE2 1 -ATOM 5226 N N A ARG B 2 350 ? -13.175 -66.019 16.004 0.53 54.96 ? 328 ARG B N 1 -ATOM 5227 N N B ARG B 2 350 ? -13.176 -66.034 16.031 0.47 54.95 ? 328 ARG B N 1 -ATOM 5228 C CA A ARG B 2 350 ? -13.975 -65.344 17.028 0.53 58.83 ? 328 ARG B CA 1 -ATOM 5229 C CA B ARG B 2 350 ? -13.918 -65.376 17.102 0.47 58.83 ? 328 ARG B CA 1 -ATOM 5230 C C A ARG B 2 350 ? -14.953 -66.272 17.745 0.53 56.80 ? 328 ARG B C 1 -ATOM 5231 C C B ARG B 2 350 ? -14.865 -66.325 17.824 0.47 56.78 ? 328 ARG B C 1 -ATOM 5232 O O A ARG B 2 350 ? -15.526 -65.901 18.770 0.53 55.47 ? 328 ARG B O 1 -ATOM 5233 O O B ARG B 2 350 ? -15.343 -66.010 18.916 0.47 55.40 ? 328 ARG B O 1 -ATOM 5234 C CB A ARG B 2 350 ? -14.793 -64.210 16.391 0.53 62.03 ? 328 ARG B CB 1 -ATOM 5235 C CB B ARG B 2 350 ? -14.708 -64.183 16.556 0.47 61.92 ? 328 ARG B CB 1 -ATOM 5236 C CG A ARG B 2 350 ? -14.043 -62.939 16.001 0.53 64.52 ? 328 ARG B CG 1 -ATOM 5237 C CG B ARG B 2 350 ? -14.052 -63.497 15.369 0.47 63.42 ? 328 ARG B CG 1 -ATOM 5238 C CD A ARG B 2 350 ? -15.033 -61.889 15.479 0.53 63.85 ? 328 ARG B CD 1 -ATOM 5239 C CD B ARG B 2 350 ? -14.330 -62.003 15.354 0.47 64.40 ? 328 ARG B CD 1 -ATOM 5240 N NE A ARG B 2 350 ? -14.412 -60.597 15.182 0.53 71.97 ? 328 ARG B NE 1 -ATOM 5241 N NE B ARG B 2 350 ? -13.751 -61.325 16.513 0.47 62.68 ? 328 ARG B NE 1 -ATOM 5242 C CZ A ARG B 2 350 ? -15.038 -59.581 14.587 0.53 68.99 ? 328 ARG B CZ 1 -ATOM 5243 C CZ B ARG B 2 350 ? -14.430 -60.514 17.317 0.47 67.91 ? 328 ARG B CZ 1 -ATOM 5244 N NH1 A ARG B 2 350 ? -16.307 -59.703 14.209 0.53 67.66 ? 328 ARG B NH1 1 -ATOM 5245 N NH1 B ARG B 2 350 ? -15.712 -60.274 17.081 0.47 71.92 ? 328 ARG B NH1 1 -ATOM 5246 N NH2 A ARG B 2 350 ? -14.395 -58.443 14.364 0.53 59.18 ? 328 ARG B NH2 1 -ATOM 5247 N NH2 B ARG B 2 350 ? -13.831 -59.935 18.347 0.47 65.47 ? 328 ARG B NH2 1 -ATOM 5248 N N . TYR B 2 351 ? -15.129 -67.480 17.219 1.00 55.27 ? 329 TYR B N 1 -ATOM 5249 C CA . TYR B 2 351 ? -16.157 -68.398 17.732 1.00 52.87 ? 329 TYR B CA 1 -ATOM 5250 C C . TYR B 2 351 ? -16.104 -68.661 19.229 1.00 51.59 ? 329 TYR B C 1 -ATOM 5251 O O . TYR B 2 351 ? -17.113 -68.532 19.920 1.00 63.11 ? 329 TYR B O 1 -ATOM 5252 C CB . TYR B 2 351 ? -16.103 -69.728 16.992 1.00 56.09 ? 329 TYR B CB 1 -ATOM 5253 C CG . TYR B 2 351 ? -17.227 -70.644 17.396 1.00 62.43 ? 329 TYR B CG 1 -ATOM 5254 C CD1 . TYR B 2 351 ? -18.489 -70.476 16.864 1.00 59.12 ? 329 TYR B CD1 1 -ATOM 5255 C CD2 . TYR B 2 351 ? -17.032 -71.670 18.310 1.00 60.11 ? 329 TYR B CD2 1 -ATOM 5256 C CE1 . TYR B 2 351 ? -19.528 -71.304 17.218 1.00 68.97 ? 329 TYR B CE1 1 -ATOM 5257 C CE2 . TYR B 2 351 ? -18.068 -72.503 18.673 1.00 71.54 ? 329 TYR B CE2 1 -ATOM 5258 C CZ . TYR B 2 351 ? -19.313 -72.314 18.121 1.00 67.94 ? 329 TYR B CZ 1 -ATOM 5259 O OH . TYR B 2 351 ? -20.353 -73.133 18.465 1.00 72.55 ? 329 TYR B OH 1 -ATOM 5260 N N . LYS B 2 352 ? -14.926 -68.965 19.748 1.00 55.83 ? 330 LYS B N 1 -ATOM 5261 C CA . LYS B 2 352 ? -14.805 -69.291 21.165 1.00 58.78 ? 330 LYS B CA 1 -ATOM 5262 C C . LYS B 2 352 ? -15.055 -68.069 22.060 1.00 57.70 ? 330 LYS B C 1 -ATOM 5263 O O . LYS B 2 352 ? -15.684 -68.182 23.109 1.00 58.99 ? 330 LYS B O 1 -ATOM 5264 C CB . LYS B 2 352 ? -13.420 -69.894 21.451 1.00 59.38 ? 330 LYS B CB 1 -ATOM 5265 C CG . LYS B 2 352 ? -13.205 -70.342 22.891 1.00 66.02 ? 330 LYS B CG 1 -ATOM 5266 C CD . LYS B 2 352 ? -11.836 -71.029 23.108 1.00 62.98 ? 330 LYS B CD 1 -ATOM 5267 C CE . LYS B 2 352 ? -11.785 -71.645 24.508 1.00 67.26 ? 330 LYS B CE 1 -ATOM 5268 N NZ . LYS B 2 352 ? -10.442 -72.153 24.893 1.00 86.78 ? 330 LYS B NZ 1 -ATOM 5269 N N . LEU B 2 353 ? -14.588 -66.899 21.641 1.00 55.93 ? 331 LEU B N 1 -ATOM 5270 C CA . LEU B 2 353 ? -14.859 -65.683 22.400 1.00 63.05 ? 331 LEU B CA 1 -ATOM 5271 C C . LEU B 2 353 ? -16.360 -65.380 22.366 1.00 55.12 ? 331 LEU B C 1 -ATOM 5272 O O . LEU B 2 353 ? -16.945 -65.029 23.379 1.00 58.45 ? 331 LEU B O 1 -ATOM 5273 C CB . LEU B 2 353 ? -14.042 -64.498 21.858 1.00 64.14 ? 331 LEU B CB 1 -ATOM 5274 N N . TRP B 2 354 ? -16.986 -65.558 21.205 1.00 62.63 ? 332 TRP B N 1 -ATOM 5275 C CA . TRP B 2 354 ? -18.415 -65.264 21.047 1.00 63.12 ? 332 TRP B CA 1 -ATOM 5276 C C . TRP B 2 354 ? -19.254 -66.187 21.914 1.00 68.23 ? 332 TRP B C 1 -ATOM 5277 O O . TRP B 2 354 ? -20.096 -65.725 22.694 1.00 68.06 ? 332 TRP B O 1 -ATOM 5278 C CB . TRP B 2 354 ? -18.855 -65.402 19.580 1.00 49.38 ? 332 TRP B CB 1 -ATOM 5279 C CG . TRP B 2 354 ? -20.353 -65.297 19.382 1.00 62.08 ? 332 TRP B CG 1 -ATOM 5280 C CD1 . TRP B 2 354 ? -21.118 -64.166 19.501 1.00 63.27 ? 332 TRP B CD1 1 -ATOM 5281 C CD2 . TRP B 2 354 ? -21.258 -66.350 19.010 1.00 62.98 ? 332 TRP B CD2 1 -ATOM 5282 N NE1 . TRP B 2 354 ? -22.434 -64.455 19.241 1.00 60.44 ? 332 TRP B NE1 1 -ATOM 5283 C CE2 . TRP B 2 354 ? -22.551 -65.784 18.934 1.00 52.83 ? 332 TRP B CE2 1 -ATOM 5284 C CE3 . TRP B 2 354 ? -21.105 -67.716 18.746 1.00 61.52 ? 332 TRP B CE3 1 -ATOM 5285 C CZ2 . TRP B 2 354 ? -23.680 -66.534 18.607 1.00 45.00 ? 332 TRP B CZ2 1 -ATOM 5286 C CZ3 . TRP B 2 354 ? -22.228 -68.458 18.410 1.00 60.30 ? 332 TRP B CZ3 1 -ATOM 5287 C CH2 . TRP B 2 354 ? -23.499 -67.864 18.346 1.00 60.47 ? 332 TRP B CH2 1 -ATOM 5288 N N . LYS B 2 355 ? -18.984 -67.489 21.803 1.00 73.70 ? 333 LYS B N 1 -ATOM 5289 C CA . LYS B 2 355 ? -19.759 -68.509 22.502 1.00 65.64 ? 333 LYS B CA 1 -ATOM 5290 C C . LYS B 2 355 ? -19.650 -68.292 24.005 1.00 63.42 ? 333 LYS B C 1 -ATOM 5291 O O . LYS B 2 355 ? -20.542 -68.682 24.762 1.00 72.44 ? 333 LYS B O 1 -ATOM 5292 C CB . LYS B 2 355 ? -19.281 -69.913 22.110 1.00 69.90 ? 333 LYS B CB 1 -ATOM 5293 C CG . LYS B 2 355 ? -20.371 -70.983 22.140 1.00 79.30 ? 333 LYS B CG 1 -ATOM 5294 N N . ALA B 2 356 ? -18.583 -67.611 24.422 1.00 59.42 ? 334 ALA B N 1 -ATOM 5295 C CA . ALA B 2 356 ? -18.392 -67.261 25.827 1.00 67.79 ? 334 ALA B CA 1 -ATOM 5296 C C . ALA B 2 356 ? -18.991 -65.896 26.175 1.00 74.45 ? 334 ALA B C 1 -ATOM 5297 O O . ALA B 2 356 ? -18.895 -65.445 27.322 1.00 75.11 ? 334 ALA B O 1 -ATOM 5298 C CB . ALA B 2 356 ? -16.904 -67.274 26.167 1.00 64.09 ? 334 ALA B CB 1 -ATOM 5299 N N . GLY B 2 357 ? -19.610 -65.243 25.192 1.00 77.78 ? 335 GLY B N 1 -ATOM 5300 C CA . GLY B 2 357 ? -20.246 -63.948 25.408 1.00 79.58 ? 335 GLY B CA 1 -ATOM 5301 C C . GLY B 2 357 ? -19.278 -62.848 25.815 1.00 71.00 ? 335 GLY B C 1 -ATOM 5302 O O . GLY B 2 357 ? -19.614 -61.978 26.604 1.00 72.54 ? 335 GLY B O 1 -ATOM 5303 N N . LYS B 2 358 ? -18.070 -62.887 25.271 1.00 71.31 ? 336 LYS B N 1 -ATOM 5304 C CA . LYS B 2 358 ? -17.073 -61.872 25.568 1.00 76.90 ? 336 LYS B CA 1 -ATOM 5305 C C . LYS B 2 358 ? -16.660 -61.153 24.285 1.00 74.02 ? 336 LYS B C 1 -ATOM 5306 O O . LYS B 2 358 ? -15.688 -60.394 24.265 1.00 72.88 ? 336 LYS B O 1 -ATOM 5307 C CB . LYS B 2 358 ? -15.857 -62.502 26.257 1.00 77.62 ? 336 LYS B CB 1 -ATOM 5308 N N . ASP B 2 359 ? -17.414 -61.401 23.218 1.00 64.48 ? 337 ASP B N 1 -ATOM 5309 C CA . ASP B 2 359 ? -17.208 -60.735 21.939 1.00 68.41 ? 337 ASP B CA 1 -ATOM 5310 C C . ASP B 2 359 ? -17.914 -59.374 21.894 1.00 79.22 ? 337 ASP B C 1 -ATOM 5311 O O . ASP B 2 359 ? -19.090 -59.299 21.532 1.00 76.47 ? 337 ASP B O 1 -ATOM 5312 C CB . ASP B 2 359 ? -17.716 -61.611 20.800 1.00 65.95 ? 337 ASP B CB 1 -ATOM 5313 C CG . ASP B 2 359 ? -17.439 -61.008 19.433 1.00 80.05 ? 337 ASP B CG 1 -ATOM 5314 O OD1 . ASP B 2 359 ? -16.568 -60.111 19.342 1.00 83.77 ? 337 ASP B OD1 1 -ATOM 5315 O OD2 . ASP B 2 359 ? -18.099 -61.419 18.448 1.00 78.05 ? 337 ASP B OD2 1 -ATOM 5316 N N . ASN B 2 360 ? -17.196 -58.309 22.255 1.00 73.82 ? 338 ASN B N 1 -ATOM 5317 C CA . ASN B 2 360 ? -17.782 -56.975 22.332 1.00 76.88 ? 338 ASN B CA 1 -ATOM 5318 C C . ASN B 2 360 ? -17.531 -56.131 21.068 1.00 79.85 ? 338 ASN B C 1 -ATOM 5319 O O . ASN B 2 360 ? -17.326 -54.918 21.153 1.00 86.26 ? 338 ASN B O 1 -ATOM 5320 C CB . ASN B 2 360 ? -17.252 -56.246 23.571 1.00 69.81 ? 338 ASN B CB 1 -ATOM 5321 N N . THR B 2 361 ? -17.568 -56.788 19.907 1.00 66.63 ? 339 THR B N 1 -ATOM 5322 C CA . THR B 2 361 ? -17.442 -56.156 18.588 1.00 60.41 ? 339 THR B CA 1 -ATOM 5323 C C . THR B 2 361 ? -18.483 -55.038 18.371 1.00 72.45 ? 339 THR B C 1 -ATOM 5324 O O . THR B 2 361 ? -19.583 -55.083 18.933 1.00 77.33 ? 339 THR B O 1 -ATOM 5325 C CB . THR B 2 361 ? -17.572 -57.238 17.467 1.00 71.50 ? 339 THR B CB 1 -ATOM 5326 O OG1 . THR B 2 361 ? -16.643 -58.299 17.719 1.00 81.50 ? 339 THR B OG1 1 -ATOM 5327 C CG2 . THR B 2 361 ? -17.299 -56.676 16.073 1.00 65.51 ? 339 THR B CG2 1 -ATOM 5328 N N . VAL B 2 362 ? -18.131 -54.025 17.576 1.00 73.05 ? 340 VAL B N 1 -ATOM 5329 C CA . VAL B 2 362 ? -19.039 -52.899 17.303 1.00 70.98 ? 340 VAL B CA 1 -ATOM 5330 C C . VAL B 2 362 ? -19.260 -52.713 15.808 1.00 64.47 ? 340 VAL B C 1 -ATOM 5331 O O . VAL B 2 362 ? -18.307 -52.581 15.051 1.00 67.26 ? 340 VAL B O 1 -ATOM 5332 C CB . VAL B 2 362 ? -18.501 -51.572 17.906 1.00 63.82 ? 340 VAL B CB 1 -ATOM 5333 C CG1 . VAL B 2 362 ? -19.259 -50.369 17.355 1.00 58.63 ? 340 VAL B CG1 1 -ATOM 5334 C CG2 . VAL B 2 362 ? -18.582 -51.617 19.420 1.00 67.10 ? 340 VAL B CG2 1 -ATOM 5335 N N . ILE B 2 363 ? -20.518 -52.683 15.381 1.00 69.68 ? 341 ILE B N 1 -ATOM 5336 C CA . ILE B 2 363 ? -20.810 -52.600 13.952 1.00 70.13 ? 341 ILE B CA 1 -ATOM 5337 C C . ILE B 2 363 ? -20.648 -51.194 13.392 1.00 63.22 ? 341 ILE B C 1 -ATOM 5338 O O . ILE B 2 363 ? -21.127 -50.224 13.982 1.00 63.14 ? 341 ILE B O 1 -ATOM 5339 C CB . ILE B 2 363 ? -22.232 -53.096 13.648 1.00 59.04 ? 341 ILE B CB 1 -ATOM 5340 C CG1 . ILE B 2 363 ? -22.311 -54.585 13.951 1.00 66.83 ? 341 ILE B CG1 1 -ATOM 5341 C CG2 . ILE B 2 363 ? -22.548 -52.910 12.186 1.00 66.14 ? 341 ILE B CG2 1 -ATOM 5342 C CD1 . ILE B 2 363 ? -23.581 -55.266 13.479 1.00 56.06 ? 341 ILE B CD1 1 -ATOM 5343 N N . ASP B 2 364 ? -19.976 -51.103 12.244 1.00 70.70 ? 342 ASP B N 1 -ATOM 5344 C CA . ASP B 2 364 ? -19.856 -49.854 11.497 1.00 61.38 ? 342 ASP B CA 1 -ATOM 5345 C C . ASP B 2 364 ? -20.652 -49.909 10.194 1.00 63.32 ? 342 ASP B C 1 -ATOM 5346 O O . ASP B 2 364 ? -20.251 -50.566 9.225 1.00 57.29 ? 342 ASP B O 1 -ATOM 5347 C CB . ASP B 2 364 ? -18.388 -49.554 11.197 1.00 65.92 ? 342 ASP B CB 1 -ATOM 5348 C CG . ASP B 2 364 ? -18.221 -48.430 10.190 1.00 68.64 ? 342 ASP B CG 1 -ATOM 5349 O OD1 . ASP B 2 364 ? -19.020 -47.468 10.213 1.00 71.35 ? 342 ASP B OD1 1 -ATOM 5350 O OD2 . ASP B 2 364 ? -17.312 -48.530 9.345 1.00 75.68 ? 342 ASP B OD2 1 -ATOM 5351 N N . HIS B 2 365 ? -21.755 -49.168 10.170 1.00 64.56 ? 343 HIS B N 1 -ATOM 5352 C CA . HIS B 2 365 ? -22.751 -49.263 9.111 1.00 53.77 ? 343 HIS B CA 1 -ATOM 5353 C C . HIS B 2 365 ? -22.306 -48.724 7.753 1.00 61.70 ? 343 HIS B C 1 -ATOM 5354 O O . HIS B 2 365 ? -22.983 -48.962 6.749 1.00 62.94 ? 343 HIS B O 1 -ATOM 5355 C CB . HIS B 2 365 ? -24.029 -48.521 9.530 1.00 67.72 ? 343 HIS B CB 1 -ATOM 5356 C CG . HIS B 2 365 ? -24.656 -49.036 10.788 1.00 64.06 ? 343 HIS B CG 1 -ATOM 5357 N ND1 . HIS B 2 365 ? -25.240 -50.287 10.875 1.00 59.91 ? 343 HIS B ND1 1 -ATOM 5358 C CD2 . HIS B 2 365 ? -24.790 -48.471 12.011 1.00 56.23 ? 343 HIS B CD2 1 -ATOM 5359 C CE1 . HIS B 2 365 ? -25.711 -50.464 12.097 1.00 57.21 ? 343 HIS B CE1 1 -ATOM 5360 N NE2 . HIS B 2 365 ? -25.451 -49.378 12.807 1.00 67.86 ? 343 HIS B NE2 1 -ATOM 5361 N N . THR B 2 366 ? -21.209 -47.973 7.701 1.00 55.51 ? 344 THR B N 1 -ATOM 5362 C CA . THR B 2 366 ? -20.776 -47.439 6.412 1.00 53.90 ? 344 THR B CA 1 -ATOM 5363 C C . THR B 2 366 ? -19.852 -48.417 5.673 1.00 57.90 ? 344 THR B C 1 -ATOM 5364 O O . THR B 2 366 ? -19.734 -48.366 4.450 1.00 55.87 ? 344 THR B O 1 -ATOM 5365 C CB . THR B 2 366 ? -20.068 -46.074 6.565 1.00 62.82 ? 344 THR B CB 1 -ATOM 5366 O OG1 . THR B 2 366 ? -18.870 -46.233 7.336 1.00 58.60 ? 344 THR B OG1 1 -ATOM 5367 C CG2 . THR B 2 366 ? -20.988 -45.078 7.261 1.00 64.01 ? 344 THR B CG2 1 -ATOM 5368 N N . LEU B 2 367 ? -19.220 -49.322 6.413 1.00 61.15 ? 345 LEU B N 1 -ATOM 5369 C CA . LEU B 2 367 ? -18.312 -50.302 5.817 1.00 64.11 ? 345 LEU B CA 1 -ATOM 5370 C C . LEU B 2 367 ? -19.040 -51.250 4.855 1.00 68.68 ? 345 LEU B C 1 -ATOM 5371 O O . LEU B 2 367 ? -20.090 -51.806 5.203 1.00 63.87 ? 345 LEU B O 1 -ATOM 5372 C CB . LEU B 2 367 ? -17.635 -51.124 6.914 1.00 69.95 ? 345 LEU B CB 1 -ATOM 5373 C CG . LEU B 2 367 ? -16.205 -50.807 7.337 1.00 75.52 ? 345 LEU B CG 1 -ATOM 5374 C CD1 . LEU B 2 367 ? -15.655 -51.979 8.158 1.00 73.43 ? 345 LEU B CD1 1 -ATOM 5375 C CD2 . LEU B 2 367 ? -15.319 -50.499 6.129 1.00 71.07 ? 345 LEU B CD2 1 -ATOM 5376 N N . PRO B 2 368 ? -18.491 -51.428 3.641 1.00 63.17 ? 346 PRO B N 1 -ATOM 5377 C CA . PRO B 2 368 ? -19.007 -52.390 2.656 1.00 71.77 ? 346 PRO B CA 1 -ATOM 5378 C C . PRO B 2 368 ? -18.660 -53.857 2.996 1.00 67.34 ? 346 PRO B C 1 -ATOM 5379 O O . PRO B 2 368 ? -17.765 -54.118 3.808 1.00 66.06 ? 346 PRO B O 1 -ATOM 5380 C CB . PRO B 2 368 ? -18.314 -51.959 1.356 1.00 57.87 ? 346 PRO B CB 1 -ATOM 5381 C CG . PRO B 2 368 ? -17.031 -51.404 1.810 1.00 63.87 ? 346 PRO B CG 1 -ATOM 5382 C CD . PRO B 2 368 ? -17.294 -50.733 3.143 1.00 63.44 ? 346 PRO B CD 1 -ATOM 5383 N N . THR B 2 369 ? -19.371 -54.798 2.375 1.00 67.49 ? 347 THR B N 1 -ATOM 5384 C CA . THR B 2 369 ? -19.125 -56.227 2.596 1.00 75.87 ? 347 THR B CA 1 -ATOM 5385 C C . THR B 2 369 ? -17.724 -56.523 2.083 1.00 73.45 ? 347 THR B C 1 -ATOM 5386 O O . THR B 2 369 ? -17.314 -55.929 1.082 1.00 73.90 ? 347 THR B O 1 -ATOM 5387 C CB . THR B 2 369 ? -20.193 -57.116 1.883 1.00 70.51 ? 347 THR B CB 1 -ATOM 5388 O OG1 . THR B 2 369 ? -20.086 -58.481 2.317 1.00 73.60 ? 347 THR B OG1 1 -ATOM 5389 C CG2 . THR B 2 369 ? -20.040 -57.055 0.377 1.00 67.23 ? 347 THR B CG2 1 -ATOM 5390 N N . PRO B 2 370 ? -16.971 -57.403 2.781 1.00 74.59 ? 348 PRO B N 1 -ATOM 5391 C CA . PRO B 2 370 ? -15.575 -57.689 2.401 1.00 76.39 ? 348 PRO B CA 1 -ATOM 5392 C C . PRO B 2 370 ? -15.397 -58.107 0.935 1.00 77.10 ? 348 PRO B C 1 -ATOM 5393 O O . PRO B 2 370 ? -14.333 -57.863 0.356 1.00 77.71 ? 348 PRO B O 1 -ATOM 5394 C CB . PRO B 2 370 ? -15.176 -58.836 3.348 1.00 72.04 ? 348 PRO B CB 1 -ATOM 5395 C CG . PRO B 2 370 ? -16.465 -59.365 3.915 1.00 76.82 ? 348 PRO B CG 1 -ATOM 5396 C CD . PRO B 2 370 ? -17.370 -58.163 3.977 1.00 70.63 ? 348 PRO B CD 1 -ATOM 5397 N N . GLU B 2 371 ? -16.444 -58.679 0.339 1.00 80.91 ? 349 GLU B N 1 -ATOM 5398 C CA . GLU B 2 371 ? -16.421 -59.155 -1.049 1.00 80.10 ? 349 GLU B CA 1 -ATOM 5399 C C . GLU B 2 371 ? -16.265 -58.028 -2.085 1.00 85.10 ? 349 GLU B C 1 -ATOM 5400 O O . GLU B 2 371 ? -16.227 -58.282 -3.294 1.00 80.69 ? 349 GLU B O 1 -ATOM 5401 C CB . GLU B 2 371 ? -17.701 -59.949 -1.338 1.00 74.98 ? 349 GLU B CB 1 -ATOM 5402 C CG . GLU B 2 371 ? -18.007 -61.030 -0.285 1.00 85.85 ? 349 GLU B CG 1 -ATOM 5403 C CD . GLU B 2 371 ? -19.501 -61.209 -0.014 1.00 90.09 ? 349 GLU B CD 1 -ATOM 5404 O OE1 . GLU B 2 371 ? -20.315 -61.002 -0.946 1.00 96.58 ? 349 GLU B OE1 1 -ATOM 5405 O OE2 . GLU B 2 371 ? -19.867 -61.563 1.134 1.00 83.57 ? 349 GLU B OE2 1 -ATOM 5406 N N . ALA B 2 372 ? -16.173 -56.789 -1.609 1.00 85.92 ? 350 ALA B N 1 -ATOM 5407 C CA . ALA B 2 372 ? -16.027 -55.641 -2.493 1.00 82.35 ? 350 ALA B CA 1 -ATOM 5408 C C . ALA B 2 372 ? -14.578 -55.183 -2.564 1.00 83.36 ? 350 ALA B C 1 -ATOM 5409 O O . ALA B 2 372 ? -14.294 -54.020 -2.867 1.00 92.25 ? 350 ALA B O 1 -ATOM 5410 C CB . ALA B 2 372 ? -16.932 -54.496 -2.027 1.00 73.12 ? 350 ALA B CB 1 -ATOM 5411 N N . ALA B 2 373 ? -13.656 -56.098 -2.284 1.00 87.25 ? 351 ALA B N 1 -ATOM 5412 C CA . ALA B 2 373 ? -12.235 -55.802 -2.431 1.00 92.17 ? 351 ALA B CA 1 -ATOM 5413 C C . ALA B 2 373 ? -11.827 -55.840 -3.903 1.00 94.71 ? 351 ALA B C 1 -ATOM 5414 O O . ALA B 2 373 ? -10.807 -55.263 -4.291 1.00 92.01 ? 351 ALA B O 1 -ATOM 5415 C CB . ALA B 2 373 ? -11.402 -56.790 -1.624 1.00 98.46 ? 351 ALA B CB 1 -ATOM 5416 N N . GLU B 2 374 ? -12.659 -56.495 -4.712 1.00 85.38 ? 352 GLU B N 1 -ATOM 5417 C CA . GLU B 2 374 ? -12.466 -56.620 -6.157 1.00 84.51 ? 352 GLU B CA 1 -ATOM 5418 C C . GLU B 2 374 ? -12.738 -55.311 -6.909 1.00 90.36 ? 352 GLU B C 1 -ATOM 5419 O O . GLU B 2 374 ? -12.257 -55.116 -8.032 1.00 82.29 ? 352 GLU B O 1 -ATOM 5420 C CB . GLU B 2 374 ? -13.366 -57.738 -6.712 1.00 76.72 ? 352 GLU B CB 1 -ATOM 5421 N N . PHE B 2 375 ? -13.519 -54.425 -6.288 1.00 93.12 ? 353 PHE B N 1 -ATOM 5422 C CA . PHE B 2 375 ? -13.992 -53.209 -6.947 1.00 89.26 ? 353 PHE B CA 1 -ATOM 5423 C C . PHE B 2 375 ? -13.343 -51.941 -6.374 1.00 86.71 ? 353 PHE B C 1 -ATOM 5424 O O . PHE B 2 375 ? -12.939 -51.894 -5.209 1.00 90.41 ? 353 PHE B O 1 -ATOM 5425 C CB . PHE B 2 375 ? -15.521 -53.098 -6.838 1.00 84.98 ? 353 PHE B CB 1 -ATOM 5426 C CG . PHE B 2 375 ? -16.276 -54.334 -7.293 1.00 74.23 ? 353 PHE B CG 1 -ATOM 5427 C CD1 . PHE B 2 375 ? -16.438 -54.610 -8.648 1.00 75.07 ? 353 PHE B CD1 1 -ATOM 5428 C CD2 . PHE B 2 375 ? -16.870 -55.186 -6.370 1.00 72.19 ? 353 PHE B CD2 1 -ATOM 5429 C CE1 . PHE B 2 375 ? -17.150 -55.734 -9.076 1.00 71.13 ? 353 PHE B CE1 1 -ATOM 5430 C CE2 . PHE B 2 375 ? -17.584 -56.313 -6.791 1.00 69.08 ? 353 PHE B CE2 1 -ATOM 5431 C CZ . PHE B 2 375 ? -17.725 -56.586 -8.150 1.00 61.39 ? 353 PHE B CZ 1 -HETATM 5432 S S . SO4 C 3 . ? -19.590 -27.109 -1.111 1.00 79.52 ? 1354 SO4 A S 1 -HETATM 5433 O O1 . SO4 C 3 . ? -19.226 -27.661 -2.422 1.00 68.49 ? 1354 SO4 A O1 1 -HETATM 5434 O O2 . SO4 C 3 . ? -20.725 -26.198 -1.282 1.00 73.39 ? 1354 SO4 A O2 1 -HETATM 5435 O O3 . SO4 C 3 . ? -19.973 -28.159 -0.156 1.00 68.47 ? 1354 SO4 A O3 1 -HETATM 5436 O O4 . SO4 C 3 . ? -18.446 -26.365 -0.584 1.00 87.87 ? 1354 SO4 A O4 1 -HETATM 5437 O O3 . 35M D 4 . ? -23.605 -20.155 -18.384 0.85 56.04 ? 1355 35M A O3 1 -HETATM 5438 C C6 . 35M D 4 . ? -23.574 -18.925 -18.166 0.85 72.54 ? 1355 35M A C6 1 -HETATM 5439 C C5 . 35M D 4 . ? -22.463 -18.304 -17.407 0.85 73.09 ? 1355 35M A C5 1 -HETATM 5440 C C4 . 35M D 4 . ? -21.501 -19.095 -16.774 0.85 68.96 ? 1355 35M A C4 1 -HETATM 5441 C C3 . 35M D 4 . ? -20.531 -18.501 -15.969 0.85 73.77 ? 1355 35M A C3 1 -HETATM 5442 C C2 . 35M D 4 . ? -20.522 -17.114 -15.812 0.85 72.29 ? 1355 35M A C2 1 -HETATM 5443 O O4 . 35M D 4 . ? -19.609 -16.476 -15.044 0.85 80.22 ? 1355 35M A O4 1 -HETATM 5444 C C1 . 35M D 4 . ? -21.476 -16.300 -16.456 0.85 75.19 ? 1355 35M A C1 1 -HETATM 5445 C C . 35M D 4 . ? -22.447 -16.907 -17.259 0.85 71.38 ? 1355 35M A C 1 -HETATM 5446 N N . 35M D 4 . ? -24.563 -18.009 -18.600 0.85 64.44 ? 1355 35M A N 1 -HETATM 5447 C C7 . 35M D 4 . ? -25.762 -18.350 -19.306 0.85 49.54 ? 1355 35M A C7 1 -HETATM 5448 C C12 . 35M D 4 . ? -25.743 -19.236 -20.393 0.85 51.38 ? 1355 35M A C12 1 -HETATM 5449 C C11 . 35M D 4 . ? -26.964 -19.696 -20.957 0.85 60.29 ? 1355 35M A C11 1 -HETATM 5450 C C10 . 35M D 4 . ? -28.154 -19.229 -20.431 0.85 54.84 ? 1355 35M A C10 1 -HETATM 5451 O O2 . 35M D 4 . ? -29.317 -19.455 -21.035 0.85 39.37 ? 1355 35M A O2 1 -HETATM 5452 C C9 . 35M D 4 . ? -28.186 -18.322 -19.346 0.85 59.60 ? 1355 35M A C9 1 -HETATM 5453 C C8 . 35M D 4 . ? -26.995 -17.877 -18.800 0.85 53.86 ? 1355 35M A C8 1 -HETATM 5454 C C13 . 35M D 4 . ? -26.958 -20.786 -21.923 0.85 56.26 ? 1355 35M A C13 1 -HETATM 5455 N N1 . 35M D 4 . ? -28.125 -21.527 -22.102 0.85 42.15 ? 1355 35M A N1 1 -HETATM 5456 C C17 . 35M D 4 . ? -28.108 -22.522 -23.015 0.85 44.65 ? 1355 35M A C17 1 -HETATM 5457 C C16 . 35M D 4 . ? -27.036 -22.820 -23.803 0.85 50.55 ? 1355 35M A C16 1 -HETATM 5458 C C15 . 35M D 4 . ? -25.904 -22.061 -23.584 0.85 57.08 ? 1355 35M A C15 1 -HETATM 5459 C C14 . 35M D 4 . ? -25.811 -21.094 -22.607 0.85 49.45 ? 1355 35M A C14 1 -HETATM 5460 C C18 . 35M D 4 . ? -24.825 -22.121 -24.549 0.85 51.92 ? 1355 35M A C18 1 -HETATM 5461 O O1 . 35M D 4 . ? -25.030 -22.068 -25.759 0.85 53.26 ? 1355 35M A O1 1 -HETATM 5462 O O . 35M D 4 . ? -23.553 -22.215 -24.100 0.85 52.10 ? 1355 35M A O 1 -HETATM 5463 MN MN . MN E 5 . ? -29.941 -21.718 -20.683 1.00 46.87 ? 1356 MN A MN 1 -HETATM 5464 ZN ZN . ZN F 6 . ? -25.758 -16.566 -5.165 1.00 54.42 2 1357 ZN A ZN 1 -HETATM 5465 C C1 . EDO G 7 . ? -5.229 -13.587 -23.052 1.00 70.92 ? 1358 EDO A C1 1 -HETATM 5466 O O1 . EDO G 7 . ? -4.786 -14.582 -23.984 1.00 75.95 ? 1358 EDO A O1 1 -HETATM 5467 C C2 . EDO G 7 . ? -4.356 -13.650 -21.804 1.00 69.74 ? 1358 EDO A C2 1 -HETATM 5468 O O2 . EDO G 7 . ? -4.853 -12.774 -20.781 1.00 65.59 ? 1358 EDO A O2 1 -HETATM 5469 C C1 . EDO H 7 . ? -30.582 -24.175 -4.790 1.00 63.09 ? 1359 EDO A C1 1 -HETATM 5470 O O1 . EDO H 7 . ? -29.555 -23.400 -4.129 1.00 63.56 ? 1359 EDO A O1 1 -HETATM 5471 C C2 . EDO H 7 . ? -30.282 -24.397 -6.275 1.00 52.33 ? 1359 EDO A C2 1 -HETATM 5472 O O2 . EDO H 7 . ? -30.195 -23.160 -7.023 1.00 47.13 ? 1359 EDO A O2 1 -HETATM 5473 S S . DMS I 8 . ? -29.354 -16.111 -23.157 1.00 78.72 ? 1360 DMS A S 1 -HETATM 5474 O O . DMS I 8 . ? -29.082 -17.568 -23.415 1.00 85.48 ? 1360 DMS A O 1 -HETATM 5475 C C1 . DMS I 8 . ? -28.291 -15.144 -24.254 1.00 66.66 ? 1360 DMS A C1 1 -HETATM 5476 C C2 . DMS I 8 . ? -28.618 -15.603 -21.576 1.00 70.62 ? 1360 DMS A C2 1 -HETATM 5477 S S . SO4 J 3 . ? -48.958 -47.198 24.109 1.00 90.28 ? 1354 SO4 B S 1 -HETATM 5478 O O1 . SO4 J 3 . ? -48.004 -48.108 23.473 1.00 73.84 ? 1354 SO4 B O1 1 -HETATM 5479 O O2 . SO4 J 3 . ? -49.348 -46.158 23.151 1.00 82.86 ? 1354 SO4 B O2 1 -HETATM 5480 O O3 . SO4 J 3 . ? -50.144 -47.956 24.508 1.00 82.20 ? 1354 SO4 B O3 1 -HETATM 5481 O O4 . SO4 J 3 . ? -48.341 -46.575 25.286 1.00 67.13 ? 1354 SO4 B O4 1 -HETATM 5482 O O3 . 35M K 4 . ? -44.880 -60.631 7.873 0.85 73.40 ? 1355 35M B O3 1 -HETATM 5483 C C6 . 35M K 4 . ? -45.575 -59.649 7.559 0.85 79.56 ? 1355 35M B C6 1 -HETATM 5484 C C5 . 35M K 4 . ? -47.011 -59.583 7.986 0.85 82.54 ? 1355 35M B C5 1 -HETATM 5485 C C4 . 35M K 4 . ? -48.012 -60.330 7.351 0.85 82.50 ? 1355 35M B C4 1 -HETATM 5486 C C3 . 35M K 4 . ? -49.297 -60.369 7.893 0.85 87.01 ? 1355 35M B C3 1 -HETATM 5487 C C2 . 35M K 4 . ? -49.563 -59.644 9.074 0.85 84.78 ? 1355 35M B C2 1 -HETATM 5488 O O4 . 35M K 4 . ? -50.766 -59.676 9.712 0.85 85.34 ? 1355 35M B O4 1 -HETATM 5489 C C1 . 35M K 4 . ? -48.572 -58.861 9.694 0.85 74.70 ? 1355 35M B C1 1 -HETATM 5490 C C . 35M K 4 . ? -47.303 -58.834 9.137 0.85 71.98 ? 1355 35M B C 1 -HETATM 5491 N N . 35M K 4 . ? -45.089 -58.536 6.810 0.85 72.51 ? 1355 35M B N 1 -HETATM 5492 C C7 . 35M K 4 . ? -43.768 -58.329 6.286 0.85 50.40 ? 1355 35M B C7 1 -HETATM 5493 C C12 . 35M K 4 . ? -43.618 -57.505 5.165 0.85 56.40 ? 1355 35M B C12 1 -HETATM 5494 C C11 . 35M K 4 . ? -42.351 -57.185 4.624 0.85 51.20 ? 1355 35M B C11 1 -HETATM 5495 C C10 . 35M K 4 . ? -41.251 -57.742 5.253 0.85 49.13 ? 1355 35M B C10 1 -HETATM 5496 O O2 . 35M K 4 . ? -40.039 -57.713 4.741 0.85 38.49 ? 1355 35M B O2 1 -HETATM 5497 C C9 . 35M K 4 . ? -41.381 -58.582 6.385 0.85 55.72 ? 1355 35M B C9 1 -HETATM 5498 C C8 . 35M K 4 . ? -42.624 -58.883 6.891 0.85 53.87 ? 1355 35M B C8 1 -HETATM 5499 C C13 . 35M K 4 . ? -42.308 -56.182 3.539 0.85 50.65 ? 1355 35M B C13 1 -HETATM 5500 N N1 . 35M K 4 . ? -41.108 -55.560 3.150 0.85 43.89 ? 1355 35M B N1 1 -HETATM 5501 C C17 . 35M K 4 . ? -41.136 -54.736 2.060 0.85 34.08 ? 1355 35M B C17 1 -HETATM 5502 C C16 . 35M K 4 . ? -42.271 -54.503 1.303 0.85 50.52 ? 1355 35M B C16 1 -HETATM 5503 C C15 . 35M K 4 . ? -43.447 -55.131 1.731 0.85 56.01 ? 1355 35M B C15 1 -HETATM 5504 C C14 . 35M K 4 . ? -43.504 -55.908 2.885 0.85 41.49 ? 1355 35M B C14 1 -HETATM 5505 C C18 . 35M K 4 . ? -44.611 -55.197 0.823 0.85 50.04 ? 1355 35M B C18 1 -HETATM 5506 O O1 . 35M K 4 . ? -44.495 -55.356 -0.387 0.85 45.65 ? 1355 35M B O1 1 -HETATM 5507 O O . 35M K 4 . ? -45.870 -55.138 1.327 0.85 51.65 ? 1355 35M B O 1 -HETATM 5508 MN MN . MN L 5 . ? -39.409 -55.492 4.673 1.00 41.62 ? 1356 MN B MN 1 -HETATM 5509 ZN ZN . ZN M 6 . ? -42.973 -58.483 20.864 1.00 58.63 2 1357 ZN B ZN 1 -HETATM 5510 C C1 . EDO N 7 . ? -37.977 -51.333 17.987 1.00 55.87 ? 1358 EDO B C1 1 -HETATM 5511 O O1 . EDO N 7 . ? -38.275 -52.649 17.497 1.00 56.59 ? 1358 EDO B O1 1 -HETATM 5512 C C2 . EDO N 7 . ? -38.343 -51.238 19.462 1.00 59.36 ? 1358 EDO B C2 1 -HETATM 5513 O O2 . EDO N 7 . ? -38.094 -49.893 19.896 1.00 75.69 ? 1358 EDO B O2 1 -HETATM 5514 C C1 . EDO O 7 . ? -44.580 -42.390 -9.316 1.00 59.31 ? 1359 EDO B C1 1 -HETATM 5515 O O1 . EDO O 7 . ? -44.938 -43.374 -10.307 1.00 69.15 ? 1359 EDO B O1 1 -HETATM 5516 C C2 . EDO O 7 . ? -45.574 -41.246 -9.419 1.00 68.78 ? 1359 EDO B C2 1 -HETATM 5517 O O2 . EDO O 7 . ? -46.790 -41.593 -8.748 1.00 69.38 ? 1359 EDO B O2 1 -HETATM 5518 C C1 . EDO P 7 . ? -48.195 -50.665 18.530 1.00 66.83 ? 1360 EDO B C1 1 -HETATM 5519 O O1 . EDO P 7 . ? -48.072 -49.508 17.671 1.00 58.12 ? 1360 EDO B O1 1 -HETATM 5520 C C2 . EDO P 7 . ? -47.335 -51.831 18.023 1.00 67.82 ? 1360 EDO B C2 1 -HETATM 5521 O O2 . EDO P 7 . ? -47.433 -53.002 18.859 1.00 69.61 ? 1360 EDO B O2 1 -HETATM 5522 S S . DMS Q 8 . ? -40.739 -61.008 3.154 1.00 89.74 ? 1361 DMS B S 1 -HETATM 5523 O O . DMS Q 8 . ? -41.156 -59.905 2.216 1.00 67.18 ? 1361 DMS B O 1 -HETATM 5524 C C1 . DMS Q 8 . ? -38.956 -60.910 3.491 1.00 61.44 ? 1361 DMS B C1 1 -HETATM 5525 C C2 . DMS Q 8 . ? -40.795 -62.594 2.269 1.00 62.35 ? 1361 DMS B C2 1 -HETATM 5526 O O . HOH R 9 . ? -37.421 -36.764 -19.618 1.00 51.84 ? 2001 HOH A O 1 -HETATM 5527 O O . HOH R 9 . ? -39.911 -30.844 -26.028 1.00 58.60 ? 2002 HOH A O 1 -HETATM 5528 O O . HOH R 9 . ? -43.472 -27.297 -18.252 1.00 56.94 ? 2003 HOH A O 1 -HETATM 5529 O O . HOH R 9 . ? -42.057 -31.086 -16.991 1.00 45.04 ? 2004 HOH A O 1 -HETATM 5530 O O . HOH R 9 . ? -28.731 -11.755 -45.834 1.00 70.48 ? 2005 HOH A O 1 -HETATM 5531 O O . HOH R 9 . ? -10.391 -31.615 -10.530 1.00 37.46 ? 2006 HOH A O 1 -HETATM 5532 O O . HOH R 9 . ? -21.760 -22.353 -17.491 1.00 45.80 ? 2007 HOH A O 1 -HETATM 5533 O O . HOH R 9 . ? -11.187 -34.683 -16.642 1.00 45.80 ? 2008 HOH A O 1 -HETATM 5534 O O . HOH R 9 . ? -5.121 -30.377 -18.479 1.00 50.20 ? 2009 HOH A O 1 -HETATM 5535 O O . HOH R 9 . ? -25.748 -15.232 -20.449 1.00 59.63 ? 2010 HOH A O 1 -HETATM 5536 O O . HOH R 9 . ? -24.437 -14.718 -17.738 1.00 61.42 ? 2011 HOH A O 1 -HETATM 5537 O O . HOH R 9 . ? -33.568 -10.301 -28.119 1.00 61.72 ? 2012 HOH A O 1 -HETATM 5538 O O . HOH R 9 . ? -39.985 -10.699 -26.900 1.00 47.93 ? 2013 HOH A O 1 -HETATM 5539 O O . HOH R 9 . ? -38.329 -5.804 -23.229 1.00 53.93 ? 2014 HOH A O 1 -HETATM 5540 O O . HOH R 9 . ? -25.111 -24.318 -12.461 1.00 40.80 ? 2015 HOH A O 1 -HETATM 5541 O O . HOH R 9 . ? -30.312 -18.753 -13.648 1.00 61.98 ? 2016 HOH A O 1 -HETATM 5542 O O . HOH R 9 . ? -32.091 -22.185 -10.704 1.00 49.08 ? 2017 HOH A O 1 -HETATM 5543 O O . HOH R 9 . ? -35.852 -21.344 -17.263 1.00 39.48 ? 2018 HOH A O 1 -HETATM 5544 O O . HOH R 9 . ? -30.708 -21.522 -22.555 1.00 40.37 ? 2019 HOH A O 1 -HETATM 5545 O O . HOH R 9 . ? -32.543 -14.371 -12.347 1.00 59.11 ? 2020 HOH A O 1 -HETATM 5546 O O . HOH R 9 . ? -40.323 -20.036 -10.915 1.00 41.52 ? 2021 HOH A O 1 -HETATM 5547 O O . HOH R 9 . ? -36.759 -20.663 -9.222 1.00 45.97 ? 2022 HOH A O 1 -HETATM 5548 O O . HOH R 9 . ? -30.208 -20.601 -25.009 1.00 59.29 ? 2023 HOH A O 1 -HETATM 5549 O O . HOH R 9 . ? -26.763 -35.002 -25.554 1.00 53.47 ? 2024 HOH A O 1 -HETATM 5550 O O . HOH R 9 . ? -36.243 -28.580 -14.280 1.00 38.74 ? 2025 HOH A O 1 -HETATM 5551 O O . HOH R 9 . ? -40.353 -29.716 -10.222 1.00 45.97 ? 2026 HOH A O 1 -HETATM 5552 O O . HOH R 9 . ? -39.669 -32.327 -7.326 1.00 52.21 ? 2027 HOH A O 1 -HETATM 5553 O O . HOH R 9 . ? -22.425 -17.716 -2.782 1.00 45.28 ? 2028 HOH A O 1 -HETATM 5554 O O . HOH R 9 . ? -23.892 -23.130 -9.762 1.00 43.40 ? 2029 HOH A O 1 -HETATM 5555 O O . HOH R 9 . ? -24.966 -16.348 -14.393 1.00 59.27 ? 2030 HOH A O 1 -HETATM 5556 O O . HOH R 9 . ? -19.647 -39.321 -15.719 1.00 45.43 ? 2031 HOH A O 1 -HETATM 5557 O O . HOH R 9 . ? -32.688 -40.850 -14.872 1.00 48.02 ? 2032 HOH A O 1 -HETATM 5558 O O . HOH R 9 . ? -29.855 -35.758 -31.225 1.00 59.26 ? 2033 HOH A O 1 -HETATM 5559 O O . HOH R 9 . ? -35.117 -23.197 -18.992 1.00 36.74 ? 2034 HOH A O 1 -HETATM 5560 O O . HOH R 9 . ? -42.062 -24.695 -18.257 1.00 46.45 ? 2035 HOH A O 1 -HETATM 5561 O O . HOH R 9 . ? -48.414 -16.997 -15.796 1.00 49.22 ? 2036 HOH A O 1 -HETATM 5562 O O . HOH R 9 . ? -54.531 -15.454 -23.987 1.00 73.13 ? 2037 HOH A O 1 -HETATM 5563 O O . HOH R 9 . ? -39.937 -12.509 -8.835 1.00 52.64 ? 2038 HOH A O 1 -HETATM 5564 O O . HOH R 9 . ? -41.534 -7.463 -8.638 1.00 64.21 ? 2039 HOH A O 1 -HETATM 5565 O O . HOH S 9 . ? -32.488 -43.507 2.776 1.00 37.66 ? 2001 HOH B O 1 -HETATM 5566 O O . HOH S 9 . ? -32.148 -40.655 -4.050 1.00 48.45 ? 2002 HOH B O 1 -HETATM 5567 O O . HOH S 9 . ? -28.943 -47.044 -1.778 1.00 49.02 ? 2003 HOH B O 1 -HETATM 5568 O O . HOH S 9 . ? -27.792 -65.433 -9.786 1.00 61.34 ? 2004 HOH B O 1 -HETATM 5569 O O . HOH S 9 . ? -25.367 -49.780 6.121 1.00 51.98 ? 2005 HOH B O 1 -HETATM 5570 O O . HOH S 9 . ? -26.471 -46.146 6.660 1.00 55.49 ? 2006 HOH B O 1 -HETATM 5571 O O . HOH S 9 . ? -38.910 -48.933 -11.176 1.00 56.67 ? 2007 HOH B O 1 -HETATM 5572 O O . HOH S 9 . ? -46.289 -68.209 -17.868 1.00 73.32 ? 2008 HOH B O 1 -HETATM 5573 O O . HOH S 9 . ? -48.572 -69.278 -20.303 1.00 72.01 ? 2009 HOH B O 1 -HETATM 5574 O O . HOH S 9 . ? -59.540 -45.327 12.336 1.00 50.06 ? 2010 HOH B O 1 -HETATM 5575 O O . HOH S 9 . ? -57.969 -43.130 14.018 1.00 38.45 ? 2011 HOH B O 1 -HETATM 5576 O O . HOH S 9 . ? -47.371 -53.698 8.188 1.00 41.78 ? 2012 HOH B O 1 -HETATM 5577 O O . HOH S 9 . ? -49.640 -57.545 12.254 1.00 65.73 ? 2013 HOH B O 1 -HETATM 5578 O O . HOH S 9 . ? -49.741 -44.742 -9.531 1.00 56.08 ? 2014 HOH B O 1 -HETATM 5579 O O . HOH S 9 . ? -57.321 -41.020 7.990 1.00 44.22 ? 2015 HOH B O 1 -HETATM 5580 O O . HOH S 9 . ? -60.488 -36.004 -0.720 1.00 73.52 ? 2016 HOH B O 1 -HETATM 5581 O O . HOH S 9 . ? -58.720 -42.835 -0.958 1.00 55.95 ? 2017 HOH B O 1 -HETATM 5582 O O . HOH S 9 . ? -47.093 -55.924 -3.758 1.00 46.88 ? 2018 HOH B O 1 -HETATM 5583 O O . HOH S 9 . ? -43.871 -51.419 12.896 1.00 39.73 ? 2019 HOH B O 1 -HETATM 5584 O O . HOH S 9 . ? -39.090 -57.545 11.937 1.00 61.03 ? 2020 HOH B O 1 -HETATM 5585 O O . HOH S 9 . ? -33.024 -55.455 7.433 1.00 38.37 ? 2021 HOH B O 1 -HETATM 5586 O O . HOH S 9 . ? -38.628 -55.785 2.698 1.00 26.99 ? 2022 HOH B O 1 -HETATM 5587 O O . HOH S 9 . ? -39.740 -57.278 0.571 1.00 53.34 ? 2023 HOH B O 1 -HETATM 5588 O O . HOH S 9 . ? -45.892 -49.745 -11.911 1.00 57.89 ? 2024 HOH B O 1 -HETATM 5589 O O . HOH S 9 . ? -32.507 -47.738 9.675 1.00 33.12 ? 2025 HOH B O 1 -HETATM 5590 O O . HOH S 9 . ? -35.919 -35.589 7.718 1.00 46.28 ? 2026 HOH B O 1 -HETATM 5591 O O . HOH S 9 . ? -38.449 -42.557 -7.097 1.00 45.66 ? 2027 HOH B O 1 -HETATM 5592 O O . HOH S 9 . ? -33.799 -53.582 6.222 1.00 41.00 ? 2028 HOH B O 1 -HETATM 5593 O O . HOH S 9 . ? -26.967 -52.370 6.407 1.00 39.72 ? 2029 HOH B O 1 -HETATM 5594 O O . HOH S 9 . ? -20.712 -56.751 9.451 1.00 49.27 ? 2030 HOH B O 1 -HETATM 5595 O O . HOH S 9 . ? -21.078 -53.199 8.186 1.00 63.87 ? 2031 HOH B O 1 -HETATM 5596 O O . HOH S 9 . ? -26.372 -72.511 14.104 1.00 61.00 ? 2032 HOH B O 1 -HETATM 5597 O O . HOH S 9 . ? -26.764 -69.901 18.291 1.00 72.32 ? 2033 HOH B O 1 -HETATM 5598 O O . HOH S 9 . ? -27.618 -67.993 18.212 1.00 65.81 ? 2034 HOH B O 1 -HETATM 5599 O O . HOH S 9 . ? -21.561 -67.582 27.007 1.00 58.97 ? 2035 HOH B O 1 -HETATM 5600 O O . HOH S 9 . ? -21.633 -63.272 0.356 1.00 63.11 ? 2036 HOH B O 1 -# -loop_ -_pdbx_poly_seq_scheme.asym_id -_pdbx_poly_seq_scheme.entity_id -_pdbx_poly_seq_scheme.seq_id -_pdbx_poly_seq_scheme.mon_id -_pdbx_poly_seq_scheme.ndb_seq_num -_pdbx_poly_seq_scheme.pdb_seq_num -_pdbx_poly_seq_scheme.auth_seq_num -_pdbx_poly_seq_scheme.pdb_mon_id -_pdbx_poly_seq_scheme.auth_mon_id -_pdbx_poly_seq_scheme.pdb_strand_id -_pdbx_poly_seq_scheme.pdb_ins_code -_pdbx_poly_seq_scheme.hetero -A 1 1 MET 1 -21 ? ? ? A . n -A 1 2 HIS 2 -20 ? ? ? A . n -A 1 3 HIS 3 -19 ? ? ? A . n -A 1 4 HIS 4 -18 ? ? ? A . n -A 1 5 HIS 5 -17 ? ? ? A . n -A 1 6 HIS 6 -16 ? ? ? A . n -A 1 7 HIS 7 -15 ? ? ? A . n -A 1 8 SER 8 -14 ? ? ? A . n -A 1 9 SER 9 -13 ? ? ? A . n -A 1 10 GLY 10 -12 ? ? ? A . n -A 1 11 VAL 11 -11 ? ? ? A . n -A 1 12 ASP 12 -10 ? ? ? A . n -A 1 13 LEU 13 -9 ? ? ? A . n -A 1 14 GLY 14 -8 ? ? ? A . n -A 1 15 THR 15 -7 ? ? ? A . n -A 1 16 GLU 16 -6 ? ? ? A . n -A 1 17 ASN 17 -5 ? ? ? A . n -A 1 18 LEU 18 -4 ? ? ? A . n -A 1 19 TYR 19 -3 ? ? ? A . n -A 1 20 PHE 20 -2 ? ? ? A . n -A 1 21 GLN 21 -1 ? ? ? A . n -A 1 22 SER 22 0 ? ? ? A . n -A 1 23 MET 23 1 ? ? ? A . n -A 1 24 ALA 24 2 ? ? ? A . n -A 1 25 SER 25 3 ? ? ? A . n -A 1 26 GLU 26 4 ? ? ? A . n -A 1 27 SER 27 5 ? ? ? A . n -A 1 28 GLU 28 6 ? ? ? A . n -A 1 29 THR 29 7 ? ? ? A . n -A 1 30 LEU 30 8 8 LEU LEU A . n -A 1 31 ASN 31 9 9 ASN ASN A . n -A 1 32 PRO 32 10 10 PRO PRO A . n -A 1 33 SER 33 11 11 SER SER A . n -A 1 34 ALA 34 12 12 ALA ALA A . n -A 1 35 ARG 35 13 13 ARG ARG A . n -A 1 36 ILE 36 14 14 ILE ILE A . n -A 1 37 MET 37 15 15 MET MET A . n -A 1 38 THR 38 16 16 THR THR A . n -A 1 39 PHE 39 17 17 PHE PHE A . n -A 1 40 TYR 40 18 18 TYR TYR A . n -A 1 41 PRO 41 19 19 PRO PRO A . n -A 1 42 THR 42 20 20 THR THR A . n -A 1 43 MET 43 21 21 MET MET A . n -A 1 44 GLU 44 22 22 GLU GLU A . n -A 1 45 GLU 45 23 23 GLU GLU A . n -A 1 46 PHE 46 24 24 PHE PHE A . n -A 1 47 ARG 47 25 25 ARG ARG A . n -A 1 48 ASN 48 26 26 ASN ASN A . n -A 1 49 PHE 49 27 27 PHE PHE A . n -A 1 50 SER 50 28 28 SER SER A . n -A 1 51 ARG 51 29 29 ARG ARG A . n -A 1 52 TYR 52 30 30 TYR TYR A . n -A 1 53 ILE 53 31 31 ILE ILE A . n -A 1 54 ALA 54 32 32 ALA ALA A . n -A 1 55 TYR 55 33 33 TYR TYR A . n -A 1 56 ILE 56 34 34 ILE ILE A . n -A 1 57 GLU 57 35 35 GLU GLU A . n -A 1 58 SER 58 36 36 SER SER A . n -A 1 59 GLN 59 37 37 GLN GLN A . n -A 1 60 GLY 60 38 38 GLY GLY A . n -A 1 61 ALA 61 39 39 ALA ALA A . n -A 1 62 HIS 62 40 40 HIS HIS A . n -A 1 63 ARG 63 41 41 ARG ARG A . n -A 1 64 ALA 64 42 42 ALA ALA A . n -A 1 65 GLY 65 43 43 GLY GLY A . n -A 1 66 LEU 66 44 44 LEU LEU A . n -A 1 67 ALA 67 45 45 ALA ALA A . n -A 1 68 LYS 68 46 46 LYS LYS A . n -A 1 69 VAL 69 47 47 VAL VAL A . n -A 1 70 VAL 70 48 48 VAL VAL A . n -A 1 71 PRO 71 49 49 PRO PRO A . n -A 1 72 PRO 72 50 50 PRO PRO A . n -A 1 73 LYS 73 51 51 LYS LYS A . n -A 1 74 GLU 74 52 52 GLU GLU A . n -A 1 75 TRP 75 53 53 TRP TRP A . n -A 1 76 LYS 76 54 54 LYS LYS A . n -A 1 77 PRO 77 55 55 PRO PRO A . n -A 1 78 ARG 78 56 56 ARG ARG A . n -A 1 79 ALA 79 57 57 ALA ALA A . n -A 1 80 SER 80 58 58 SER SER A . n -A 1 81 TYR 81 59 59 TYR TYR A . n -A 1 82 ASP 82 60 60 ASP ASP A . n -A 1 83 ASP 83 61 61 ASP ASP A . n -A 1 84 ILE 84 62 62 ILE ILE A . n -A 1 85 ASP 85 63 63 ASP ASP A . n -A 1 86 ASP 86 64 64 ASP ASP A . n -A 1 87 LEU 87 65 65 LEU LEU A . n -A 1 88 VAL 88 66 66 VAL VAL A . n -A 1 89 ILE 89 67 67 ILE ILE A . n -A 1 90 PRO 90 68 68 PRO PRO A . n -A 1 91 ALA 91 69 69 ALA ALA A . n -A 1 92 PRO 92 70 70 PRO PRO A . n -A 1 93 ILE 93 71 71 ILE ILE A . n -A 1 94 GLN 94 72 72 GLN GLN A . n -A 1 95 GLN 95 73 73 GLN GLN A . n -A 1 96 LEU 96 74 74 LEU LEU A . n -A 1 97 VAL 97 75 75 VAL VAL A . n -A 1 98 THR 98 76 76 THR THR A . n -A 1 99 GLY 99 77 77 GLY GLY A . n -A 1 100 GLN 100 78 78 GLN GLN A . n -A 1 101 SER 101 79 79 SER SER A . n -A 1 102 GLY 102 80 80 GLY GLY A . n -A 1 103 LEU 103 81 81 LEU LEU A . n -A 1 104 PHE 104 82 82 PHE PHE A . n -A 1 105 THR 105 83 83 THR THR A . n -A 1 106 GLN 106 84 84 GLN GLN A . n -A 1 107 TYR 107 85 85 TYR TYR A . n -A 1 108 ASN 108 86 86 ASN ASN A . n -A 1 109 ILE 109 87 87 ILE ILE A . n -A 1 110 GLN 110 88 88 GLN GLN A . n -A 1 111 LYS 111 89 89 LYS LYS A . n -A 1 112 LYS 112 90 90 LYS LYS A . n -A 1 113 ALA 113 91 91 ALA ALA A . n -A 1 114 MET 114 92 92 MET MET A . n -A 1 115 THR 115 93 93 THR THR A . n -A 1 116 VAL 116 94 94 VAL VAL A . n -A 1 117 ARG 117 95 95 ARG ARG A . n -A 1 118 GLU 118 96 96 GLU GLU A . n -A 1 119 PHE 119 97 97 PHE PHE A . n -A 1 120 ARG 120 98 98 ARG ARG A . n -A 1 121 LYS 121 99 99 LYS LYS A . n -A 1 122 ILE 122 100 100 ILE ILE A . n -A 1 123 ALA 123 101 101 ALA ALA A . n -A 1 124 ASN 124 102 102 ASN ASN A . n -A 1 125 SER 125 103 103 SER SER A . n -A 1 126 ASP 126 104 104 ASP ASP A . n -A 1 127 LYS 127 105 105 LYS LYS A . n -A 1 128 TYR 128 106 106 TYR TYR A . n -A 1 129 CYS 129 107 107 CYS CYS A . n -A 1 130 THR 130 108 108 THR THR A . n -A 1 131 PRO 131 109 109 PRO PRO A . n -A 1 132 ARG 132 110 110 ARG ARG A . n -A 1 133 TYR 133 111 111 TYR TYR A . n -A 1 134 SER 134 112 112 SER SER A . n -A 1 135 GLU 135 113 113 GLU GLU A . n -A 1 136 PHE 136 114 114 PHE PHE A . n -A 1 137 GLU 137 115 115 GLU GLU A . n -A 1 138 GLU 138 116 116 GLU GLU A . n -A 1 139 LEU 139 117 117 LEU LEU A . n -A 1 140 GLU 140 118 118 GLU GLU A . n -A 1 141 ARG 141 119 119 ARG ARG A . n -A 1 142 LYS 142 120 120 LYS LYS A . n -A 1 143 TYR 143 121 121 TYR TYR A . n -A 1 144 TRP 144 122 122 TRP TRP A . n -A 1 145 LYS 145 123 123 LYS LYS A . n -A 1 146 ASN 146 124 124 ASN ASN A . n -A 1 147 LEU 147 125 125 LEU LEU A . n -A 1 148 THR 148 126 126 THR THR A . n -A 1 149 PHE 149 127 127 PHE PHE A . n -A 1 150 ASN 150 128 128 ASN ASN A . n -A 1 151 PRO 151 129 129 PRO PRO A . n -A 1 152 PRO 152 130 130 PRO PRO A . n -A 1 153 ILE 153 131 131 ILE ILE A . n -A 1 154 TYR 154 132 132 TYR TYR A . n -A 1 155 GLY 155 133 133 GLY GLY A . n -A 1 156 ALA 156 134 134 ALA ALA A . n -A 1 157 ASP 157 135 135 ASP ASP A . n -A 1 158 VAL 158 136 136 VAL VAL A . n -A 1 159 ASN 159 137 137 ASN ASN A . n -A 1 160 GLY 160 138 138 GLY GLY A . n -A 1 161 THR 161 139 139 THR THR A . n -A 1 162 LEU 162 140 140 LEU LEU A . n -A 1 163 TYR 163 141 141 TYR TYR A . n -A 1 164 GLU 164 142 142 GLU GLU A . n -A 1 165 LYS 165 143 143 LYS LYS A . n -A 1 166 HIS 166 144 144 HIS HIS A . n -A 1 167 VAL 167 145 145 VAL VAL A . n -A 1 168 ASP 168 146 146 ASP ASP A . n -A 1 169 GLU 169 147 147 GLU GLU A . n -A 1 170 TRP 170 148 148 TRP TRP A . n -A 1 171 ASN 171 149 149 ASN ASN A . n -A 1 172 ILE 172 150 150 ILE ILE A . n -A 1 173 GLY 173 151 151 GLY GLY A . n -A 1 174 ARG 174 152 152 ARG ARG A . n -A 1 175 LEU 175 153 153 LEU LEU A . n -A 1 176 ARG 176 154 154 ARG ARG A . n -A 1 177 THR 177 155 155 THR THR A . n -A 1 178 ILE 178 156 156 ILE ILE A . n -A 1 179 LEU 179 157 157 LEU LEU A . n -A 1 180 ASP 180 158 158 ASP ASP A . n -A 1 181 LEU 181 159 159 LEU LEU A . n -A 1 182 VAL 182 160 160 VAL VAL A . n -A 1 183 GLU 183 161 161 GLU GLU A . n -A 1 184 LYS 184 162 162 LYS LYS A . n -A 1 185 GLU 185 163 163 GLU GLU A . n -A 1 186 SER 186 164 164 SER SER A . n -A 1 187 GLY 187 165 165 GLY GLY A . n -A 1 188 ILE 188 166 166 ILE ILE A . n -A 1 189 THR 189 167 167 THR THR A . n -A 1 190 ILE 190 168 168 ILE ILE A . n -A 1 191 GLU 191 169 169 GLU GLU A . n -A 1 192 GLY 192 170 170 GLY GLY A . n -A 1 193 VAL 193 171 171 VAL VAL A . n -A 1 194 ASN 194 172 172 ASN ASN A . n -A 1 195 THR 195 173 173 THR THR A . n -A 1 196 PRO 196 174 174 PRO PRO A . n -A 1 197 TYR 197 175 175 TYR TYR A . n -A 1 198 LEU 198 176 176 LEU LEU A . n -A 1 199 TYR 199 177 177 TYR TYR A . n -A 1 200 PHE 200 178 178 PHE PHE A . n -A 1 201 GLY 201 179 179 GLY GLY A . n -A 1 202 MET 202 180 180 MET MET A . n -A 1 203 TRP 203 181 181 TRP TRP A . n -A 1 204 LYS 204 182 182 LYS LYS A . n -A 1 205 THR 205 183 183 THR THR A . n -A 1 206 SER 206 184 184 SER SER A . n -A 1 207 PHE 207 185 185 PHE PHE A . n -A 1 208 ALA 208 186 186 ALA ALA A . n -A 1 209 TRP 209 187 187 TRP TRP A . n -A 1 210 HIS 210 188 188 HIS HIS A . n -A 1 211 THR 211 189 189 THR THR A . n -A 1 212 GLU 212 190 190 GLU GLU A . n -A 1 213 ASP 213 191 191 ASP ASP A . n -A 1 214 MET 214 192 192 MET MET A . n -A 1 215 ASP 215 193 193 ASP ASP A . n -A 1 216 LEU 216 194 194 LEU LEU A . n -A 1 217 TYR 217 195 195 TYR TYR A . n -A 1 218 SER 218 196 196 SER SER A . n -A 1 219 ILE 219 197 197 ILE ILE A . n -A 1 220 ASN 220 198 198 ASN ASN A . n -A 1 221 TYR 221 199 199 TYR TYR A . n -A 1 222 LEU 222 200 200 LEU LEU A . n -A 1 223 HIS 223 201 201 HIS HIS A . n -A 1 224 PHE 224 202 202 PHE PHE A . n -A 1 225 GLY 225 203 203 GLY GLY A . n -A 1 226 GLU 226 204 204 GLU GLU A . n -A 1 227 PRO 227 205 205 PRO PRO A . n -A 1 228 LYS 228 206 206 LYS LYS A . n -A 1 229 SER 229 207 207 SER SER A . n -A 1 230 TRP 230 208 208 TRP TRP A . n -A 1 231 TYR 231 209 209 TYR TYR A . n -A 1 232 SER 232 210 210 SER SER A . n -A 1 233 VAL 233 211 211 VAL VAL A . n -A 1 234 PRO 234 212 212 PRO PRO A . n -A 1 235 PRO 235 213 213 PRO PRO A . n -A 1 236 GLU 236 214 214 GLU GLU A . n -A 1 237 HIS 237 215 215 HIS HIS A . n -A 1 238 GLY 238 216 216 GLY GLY A . n -A 1 239 LYS 239 217 217 LYS LYS A . n -A 1 240 ARG 240 218 218 ARG ARG A . n -A 1 241 LEU 241 219 219 LEU LEU A . n -A 1 242 GLU 242 220 220 GLU GLU A . n -A 1 243 ARG 243 221 221 ARG ARG A . n -A 1 244 LEU 244 222 222 LEU LEU A . n -A 1 245 ALA 245 223 223 ALA ALA A . n -A 1 246 LYS 246 224 224 LYS LYS A . n -A 1 247 GLY 247 225 225 GLY GLY A . n -A 1 248 PHE 248 226 226 PHE PHE A . n -A 1 249 PHE 249 227 227 PHE PHE A . n -A 1 250 PRO 250 228 228 PRO PRO A . n -A 1 251 GLY 251 229 229 GLY GLY A . n -A 1 252 SER 252 230 230 SER SER A . n -A 1 253 ALA 253 231 231 ALA ALA A . n -A 1 254 GLN 254 232 232 GLN GLN A . n -A 1 255 SER 255 233 233 SER SER A . n -A 1 256 CYS 256 234 234 CYS CYS A . n -A 1 257 GLU 257 235 235 GLU GLU A . n -A 1 258 ALA 258 236 236 ALA ALA A . n -A 1 259 PHE 259 237 237 PHE PHE A . n -A 1 260 LEU 260 238 238 LEU LEU A . n -A 1 261 ARG 261 239 239 ARG ARG A . n -A 1 262 HIS 262 240 240 HIS HIS A . n -A 1 263 LYS 263 241 241 LYS LYS A . n -A 1 264 MET 264 242 242 MET MET A . n -A 1 265 THR 265 243 243 THR THR A . n -A 1 266 LEU 266 244 244 LEU LEU A . n -A 1 267 ILE 267 245 245 ILE ILE A . n -A 1 268 SER 268 246 246 SER SER A . n -A 1 269 PRO 269 247 247 PRO PRO A . n -A 1 270 LEU 270 248 248 LEU LEU A . n -A 1 271 MET 271 249 249 MET MET A . n -A 1 272 LEU 272 250 250 LEU LEU A . n -A 1 273 LYS 273 251 251 LYS LYS A . n -A 1 274 LYS 274 252 252 LYS LYS A . n -A 1 275 TYR 275 253 253 TYR TYR A . n -A 1 276 GLY 276 254 254 GLY GLY A . n -A 1 277 ILE 277 255 255 ILE ILE A . n -A 1 278 PRO 278 256 256 PRO PRO A . n -A 1 279 PHE 279 257 257 PHE PHE A . n -A 1 280 ASP 280 258 258 ASP ASP A . n -A 1 281 LYS 281 259 259 LYS LYS A . n -A 1 282 VAL 282 260 260 VAL VAL A . n -A 1 283 THR 283 261 261 THR THR A . n -A 1 284 GLN 284 262 262 GLN GLN A . n -A 1 285 GLU 285 263 263 GLU GLU A . n -A 1 286 ALA 286 264 264 ALA ALA A . n -A 1 287 GLY 287 265 265 GLY GLY A . n -A 1 288 GLU 288 266 266 GLU GLU A . n -A 1 289 PHE 289 267 267 PHE PHE A . n -A 1 290 MET 290 268 268 MET MET A . n -A 1 291 ILE 291 269 269 ILE ILE A . n -A 1 292 THR 292 270 270 THR THR A . n -A 1 293 PHE 293 271 271 PHE PHE A . n -A 1 294 PRO 294 272 272 PRO PRO A . n -A 1 295 TYR 295 273 273 TYR TYR A . n -A 1 296 GLY 296 274 274 GLY GLY A . n -A 1 297 TYR 297 275 275 TYR TYR A . n -A 1 298 HIS 298 276 276 HIS HIS A . n -A 1 299 ALA 299 277 277 ALA ALA A . n -A 1 300 GLY 300 278 278 GLY GLY A . n -A 1 301 PHE 301 279 279 PHE PHE A . n -A 1 302 ASN 302 280 280 ASN ASN A . n -A 1 303 HIS 303 281 281 HIS HIS A . n -A 1 304 GLY 304 282 282 GLY GLY A . n -A 1 305 PHE 305 283 283 PHE PHE A . n -A 1 306 ASN 306 284 284 ASN ASN A . n -A 1 307 CYS 307 285 285 CYS CYS A . n -A 1 308 ALA 308 286 286 ALA ALA A . n -A 1 309 GLU 309 287 287 GLU GLU A . n -A 1 310 SER 310 288 288 SER SER A . n -A 1 311 THR 311 289 289 THR THR A . n -A 1 312 ASN 312 290 290 ASN ASN A . n -A 1 313 PHE 313 291 291 PHE PHE A . n -A 1 314 ALA 314 292 292 ALA ALA A . n -A 1 315 THR 315 293 293 THR THR A . n -A 1 316 ARG 316 294 294 ARG ARG A . n -A 1 317 ARG 317 295 295 ARG ARG A . n -A 1 318 TRP 318 296 296 TRP TRP A . n -A 1 319 ILE 319 297 297 ILE ILE A . n -A 1 320 GLU 320 298 298 GLU GLU A . n -A 1 321 TYR 321 299 299 TYR TYR A . n -A 1 322 GLY 322 300 300 GLY GLY A . n -A 1 323 LYS 323 301 301 LYS LYS A . n -A 1 324 GLN 324 302 302 GLN GLN A . n -A 1 325 ALA 325 303 303 ALA ALA A . n -A 1 326 VAL 326 304 304 VAL VAL A . n -A 1 327 LEU 327 305 305 LEU LEU A . n -A 1 328 CYS 328 306 306 CYS CYS A . n -A 1 329 SER 329 307 307 SER SER A . n -A 1 330 CYS 330 308 308 CYS CYS A . n -A 1 331 ARG 331 309 309 ARG ARG A . n -A 1 332 LYS 332 310 310 LYS LYS A . n -A 1 333 ASP 333 311 311 ASP ASP A . n -A 1 334 MET 334 312 312 MET MET A . n -A 1 335 VAL 335 313 313 VAL VAL A . n -A 1 336 LYS 336 314 314 LYS LYS A . n -A 1 337 ILE 337 315 315 ILE ILE A . n -A 1 338 SER 338 316 316 SER SER A . n -A 1 339 MET 339 317 317 MET MET A . n -A 1 340 ASP 340 318 318 ASP ASP A . n -A 1 341 VAL 341 319 319 VAL VAL A . n -A 1 342 PHE 342 320 320 PHE PHE A . n -A 1 343 VAL 343 321 321 VAL VAL A . n -A 1 344 ARG 344 322 322 ARG ARG A . n -A 1 345 LYS 345 323 323 LYS LYS A . n -A 1 346 PHE 346 324 324 PHE PHE A . n -A 1 347 GLN 347 325 325 GLN GLN A . n -A 1 348 PRO 348 326 326 PRO PRO A . n -A 1 349 GLU 349 327 327 GLU GLU A . n -A 1 350 ARG 350 328 328 ARG ARG A . n -A 1 351 TYR 351 329 329 TYR TYR A . n -A 1 352 LYS 352 330 330 LYS LYS A . n -A 1 353 LEU 353 331 331 LEU LEU A . n -A 1 354 TRP 354 332 332 TRP TRP A . n -A 1 355 LYS 355 333 333 LYS LYS A . n -A 1 356 ALA 356 334 334 ALA ALA A . n -A 1 357 GLY 357 335 335 GLY GLY A . n -A 1 358 LYS 358 336 336 LYS LYS A . n -A 1 359 ASP 359 337 337 ASP ASP A . n -A 1 360 ASN 360 338 338 ASN ASN A . n -A 1 361 THR 361 339 339 THR THR A . n -A 1 362 VAL 362 340 340 VAL VAL A . n -A 1 363 ILE 363 341 341 ILE ILE A . n -A 1 364 ASP 364 342 342 ASP ASP A . n -A 1 365 HIS 365 343 343 HIS HIS A . n -A 1 366 THR 366 344 344 THR THR A . n -A 1 367 LEU 367 345 345 LEU LEU A . n -A 1 368 PRO 368 346 346 PRO PRO A . n -A 1 369 THR 369 347 347 THR THR A . n -A 1 370 PRO 370 348 348 PRO PRO A . n -A 1 371 GLU 371 349 349 GLU GLU A . n -A 1 372 ALA 372 350 350 ALA ALA A . n -A 1 373 ALA 373 351 351 ALA ALA A . n -A 1 374 GLU 374 352 352 GLU GLU A . n -A 1 375 PHE 375 353 353 PHE PHE A . n -A 1 376 LEU 376 354 ? ? ? A . n -A 1 377 LYS 377 355 ? ? ? A . n -A 1 378 GLU 378 356 ? ? ? A . n -A 1 379 SER 379 357 ? ? ? A . n -A 1 380 GLU 380 358 ? ? ? A . n -A 1 381 LEU 381 359 ? ? ? A . n -B 2 1 MET 1 -21 ? ? ? B . n -B 2 2 HIS 2 -20 ? ? ? B . n -B 2 3 HIS 3 -19 ? ? ? B . n -B 2 4 HIS 4 -18 ? ? ? B . n -B 2 5 HIS 5 -17 ? ? ? B . n -B 2 6 HIS 6 -16 ? ? ? B . n -B 2 7 HIS 7 -15 ? ? ? B . n -B 2 8 SER 8 -14 ? ? ? B . n -B 2 9 SER 9 -13 ? ? ? B . n -B 2 10 GLY 10 -12 ? ? ? B . n -B 2 11 VAL 11 -11 ? ? ? B . n -B 2 12 ASP 12 -10 ? ? ? B . n -B 2 13 LEU 13 -9 ? ? ? B . n -B 2 14 GLY 14 -8 ? ? ? B . n -B 2 15 THR 15 -7 ? ? ? B . n -B 2 16 GLU 16 -6 ? ? ? B . n -B 2 17 ASN 17 -5 ? ? ? B . n -B 2 18 LEU 18 -4 ? ? ? B . n -B 2 19 TYR 19 -3 ? ? ? B . n -B 2 20 PHE 20 -2 ? ? ? B . n -B 2 21 GLN 21 -1 ? ? ? B . n -B 2 22 SER 22 0 ? ? ? B . n -B 2 23 MET 23 1 ? ? ? B . n -B 2 24 ALA 24 2 ? ? ? B . n -B 2 25 SER 25 3 ? ? ? B . n -B 2 26 GLU 26 4 ? ? ? B . n -B 2 27 SER 27 5 ? ? ? B . n -B 2 28 GLU 28 6 ? ? ? B . n -B 2 29 THR 29 7 ? ? ? B . n -B 2 30 LEU 30 8 8 LEU LEU B . n -B 2 31 ASN 31 9 9 ASN ASN B . n -B 2 32 PRO 32 10 10 PRO PRO B . n -B 2 33 SER 33 11 11 SER SER B . n -B 2 34 ALA 34 12 12 ALA ALA B . n -B 2 35 ARG 35 13 13 ARG ARG B . n -B 2 36 ILE 36 14 14 ILE ILE B . n -B 2 37 MET 37 15 15 MET MET B . n -B 2 38 THR 38 16 16 THR THR B . n -B 2 39 PHE 39 17 17 PHE PHE B . n -B 2 40 TYR 40 18 18 TYR TYR B . n -B 2 41 PRO 41 19 19 PRO PRO B . n -B 2 42 THR 42 20 20 THR THR B . n -B 2 43 MET 43 21 21 MET MET B . n -B 2 44 GLU 44 22 22 GLU GLU B . n -B 2 45 GLU 45 23 23 GLU GLU B . n -B 2 46 PHE 46 24 24 PHE PHE B . n -B 2 47 ARG 47 25 25 ARG ARG B . n -B 2 48 ASN 48 26 26 ASN ASN B . n -B 2 49 PHE 49 27 27 PHE PHE B . n -B 2 50 SER 50 28 28 SER SER B . n -B 2 51 ARG 51 29 29 ARG ARG B . n -B 2 52 TYR 52 30 30 TYR TYR B . n -B 2 53 ILE 53 31 31 ILE ILE B . n -B 2 54 ALA 54 32 32 ALA ALA B . n -B 2 55 TYR 55 33 33 TYR TYR B . n -B 2 56 ILE 56 34 34 ILE ILE B . n -B 2 57 GLU 57 35 35 GLU GLU B . n -B 2 58 SER 58 36 36 SER SER B . n -B 2 59 GLN 59 37 37 GLN GLN B . n -B 2 60 GLY 60 38 38 GLY GLY B . n -B 2 61 ALA 61 39 39 ALA ALA B . n -B 2 62 HIS 62 40 40 HIS HIS B . n -B 2 63 ARG 63 41 41 ARG ARG B . n -B 2 64 ALA 64 42 42 ALA ALA B . n -B 2 65 GLY 65 43 43 GLY GLY B . n -B 2 66 LEU 66 44 44 LEU LEU B . n -B 2 67 ALA 67 45 45 ALA ALA B . n -B 2 68 LYS 68 46 46 LYS LYS B . n -B 2 69 VAL 69 47 47 VAL VAL B . n -B 2 70 VAL 70 48 48 VAL VAL B . n -B 2 71 PRO 71 49 49 PRO PRO B . n -B 2 72 PRO 72 50 50 PRO PRO B . n -B 2 73 LYS 73 51 51 LYS LYS B . n -B 2 74 GLU 74 52 52 GLU GLU B . n -B 2 75 TRP 75 53 53 TRP TRP B . n -B 2 76 LYS 76 54 54 LYS LYS B . n -B 2 77 PRO 77 55 55 PRO PRO B . n -B 2 78 ARG 78 56 56 ARG ARG B . n -B 2 79 ALA 79 57 57 ALA ALA B . n -B 2 80 SER 80 58 58 SER SER B . n -B 2 81 TYR 81 59 59 TYR TYR B . n -B 2 82 ASP 82 60 60 ASP ASP B . n -B 2 83 ASP 83 61 61 ASP ASP B . n -B 2 84 ILE 84 62 62 ILE ILE B . n -B 2 85 ASP 85 63 63 ASP ASP B . n -B 2 86 ASP 86 64 64 ASP ASP B . n -B 2 87 LEU 87 65 65 LEU LEU B . n -B 2 88 VAL 88 66 66 VAL VAL B . n -B 2 89 ILE 89 67 67 ILE ILE B . n -B 2 90 PRO 90 68 68 PRO PRO B . n -B 2 91 ALA 91 69 69 ALA ALA B . n -B 2 92 PRO 92 70 70 PRO PRO B . n -B 2 93 ILE 93 71 71 ILE ILE B . n -B 2 94 GLN 94 72 72 GLN GLN B . n -B 2 95 GLN 95 73 73 GLN GLN B . n -B 2 96 LEU 96 74 74 LEU LEU B . n -B 2 97 VAL 97 75 75 VAL VAL B . n -B 2 98 THR 98 76 76 THR THR B . n -B 2 99 GLY 99 77 77 GLY GLY B . n -B 2 100 GLN 100 78 78 GLN GLN B . n -B 2 101 SER 101 79 79 SER SER B . n -B 2 102 GLY 102 80 80 GLY GLY B . n -B 2 103 LEU 103 81 81 LEU LEU B . n -B 2 104 PHE 104 82 82 PHE PHE B . n -B 2 105 THR 105 83 83 THR THR B . n -B 2 106 GLN 106 84 84 GLN GLN B . n -B 2 107 TYR 107 85 85 TYR TYR B . n -B 2 108 ASN 108 86 86 ASN ASN B . n -B 2 109 ILE 109 87 87 ILE ILE B . n -B 2 110 GLN 110 88 88 GLN GLN B . n -B 2 111 LYS 111 89 89 LYS LYS B . n -B 2 112 LYS 112 90 90 LYS LYS B . n -B 2 113 ALA 113 91 91 ALA ALA B . n -B 2 114 MET 114 92 92 MET MET B . n -B 2 115 THR 115 93 93 THR THR B . n -B 2 116 VAL 116 94 94 VAL VAL B . n -B 2 117 ARG 117 95 95 ARG ARG B . n -B 2 118 GLU 118 96 96 GLU GLU B . n -B 2 119 PHE 119 97 97 PHE PHE B . n -B 2 120 ARG 120 98 98 ARG ARG B . n -B 2 121 LYS 121 99 99 LYS LYS B . n -B 2 122 ILE 122 100 100 ILE ILE B . n -B 2 123 ALA 123 101 101 ALA ALA B . n -B 2 124 ASN 124 102 102 ASN ASN B . n -B 2 125 SER 125 103 103 SER SER B . n -B 2 126 ASP 126 104 104 ASP ASP B . n -B 2 127 LYS 127 105 105 LYS LYS B . n -B 2 128 TYR 128 106 106 TYR TYR B . n -B 2 129 CYS 129 107 107 CYS CYS B . n -B 2 130 THR 130 108 108 THR THR B . n -B 2 131 PRO 131 109 109 PRO PRO B . n -B 2 132 ARG 132 110 110 ARG ARG B . n -B 2 133 TYR 133 111 111 TYR TYR B . n -B 2 134 SER 134 112 112 SER SER B . n -B 2 135 GLU 135 113 113 GLU GLU B . n -B 2 136 PHE 136 114 114 PHE PHE B . n -B 2 137 GLU 137 115 115 GLU GLU B . n -B 2 138 GLU 138 116 116 GLU GLU B . n -B 2 139 LEU 139 117 117 LEU LEU B . n -B 2 140 GLU 140 118 118 GLU GLU B . n -B 2 141 ARG 141 119 119 ARG ARG B . n -B 2 142 LYS 142 120 120 LYS LYS B . n -B 2 143 TYR 143 121 121 TYR TYR B . n -B 2 144 TRP 144 122 122 TRP TRP B . n -B 2 145 LYS 145 123 123 LYS LYS B . n -B 2 146 ASN 146 124 124 ASN ASN B . n -B 2 147 LEU 147 125 125 LEU LEU B . n -B 2 148 THR 148 126 126 THR THR B . n -B 2 149 PHE 149 127 127 PHE PHE B . n -B 2 150 ASN 150 128 128 ASN ASN B . n -B 2 151 PRO 151 129 129 PRO PRO B . n -B 2 152 PRO 152 130 130 PRO PRO B . n -B 2 153 ILE 153 131 131 ILE ILE B . n -B 2 154 TYR 154 132 132 TYR TYR B . n -B 2 155 GLY 155 133 133 GLY GLY B . n -B 2 156 ALA 156 134 134 ALA ALA B . n -B 2 157 ASP 157 135 135 ASP ASP B . n -B 2 158 VAL 158 136 136 VAL VAL B . n -B 2 159 ASN 159 137 137 ASN ASN B . n -B 2 160 GLY 160 138 138 GLY GLY B . n -B 2 161 THR 161 139 139 THR THR B . n -B 2 162 LEU 162 140 140 LEU LEU B . n -B 2 163 TYR 163 141 141 TYR TYR B . n -B 2 164 GLU 164 142 142 GLU GLU B . n -B 2 165 LYS 165 143 143 LYS LYS B . n -B 2 166 HIS 166 144 144 HIS HIS B . n -B 2 167 VAL 167 145 145 VAL VAL B . n -B 2 168 ASP 168 146 146 ASP ASP B . n -B 2 169 GLU 169 147 147 GLU GLU B . n -B 2 170 TRP 170 148 148 TRP TRP B . n -B 2 171 ASN 171 149 149 ASN ASN B . n -B 2 172 ILE 172 150 150 ILE ILE B . n -B 2 173 GLY 173 151 151 GLY GLY B . n -B 2 174 ARG 174 152 152 ARG ARG B . n -B 2 175 LEU 175 153 153 LEU LEU B . n -B 2 176 ARG 176 154 154 ARG ARG B . n -B 2 177 THR 177 155 155 THR THR B . n -B 2 178 ILE 178 156 156 ILE ILE B . n -B 2 179 LEU 179 157 157 LEU LEU B . n -B 2 180 ASP 180 158 158 ASP ASP B . n -B 2 181 LEU 181 159 159 LEU LEU B . n -B 2 182 VAL 182 160 160 VAL VAL B . n -B 2 183 GLU 183 161 161 GLU GLU B . n -B 2 184 LYS 184 162 162 LYS LYS B . n -B 2 185 GLU 185 163 163 GLU GLU B . n -B 2 186 SER 186 164 164 SER SER B . n -B 2 187 GLY 187 165 165 GLY GLY B . n -B 2 188 ILE 188 166 166 ILE ILE B . n -B 2 189 THR 189 167 167 THR THR B . n -B 2 190 ILE 190 168 168 ILE ILE B . n -B 2 191 GLU 191 169 169 GLU GLU B . n -B 2 192 GLY 192 170 170 GLY GLY B . n -B 2 193 VAL 193 171 171 VAL VAL B . n -B 2 194 ASN 194 172 172 ASN ASN B . n -B 2 195 THR 195 173 173 THR THR B . n -B 2 196 PRO 196 174 174 PRO PRO B . n -B 2 197 TYR 197 175 175 TYR TYR B . n -B 2 198 LEU 198 176 176 LEU LEU B . n -B 2 199 TYR 199 177 177 TYR TYR B . n -B 2 200 PHE 200 178 178 PHE PHE B . n -B 2 201 GLY 201 179 179 GLY GLY B . n -B 2 202 MET 202 180 180 MET MET B . n -B 2 203 TRP 203 181 181 TRP TRP B . n -B 2 204 LYS 204 182 182 LYS LYS B . n -B 2 205 THR 205 183 183 THR THR B . n -B 2 206 SER 206 184 184 SER SER B . n -B 2 207 PHE 207 185 185 PHE PHE B . n -B 2 208 ALA 208 186 186 ALA ALA B . n -B 2 209 TRP 209 187 187 TRP TRP B . n -B 2 210 HIS 210 188 188 HIS HIS B . n -B 2 211 THR 211 189 189 THR THR B . n -B 2 212 GLU 212 190 190 GLU GLU B . n -B 2 213 ASP 213 191 191 ASP ASP B . n -B 2 214 MET 214 192 192 MET MET B . n -B 2 215 ASP 215 193 193 ASP ASP B . n -B 2 216 LEU 216 194 194 LEU LEU B . n -B 2 217 TYR 217 195 195 TYR TYR B . n -B 2 218 SER 218 196 196 SER SER B . n -B 2 219 ILE 219 197 197 ILE ILE B . n -B 2 220 ASN 220 198 198 ASN ASN B . n -B 2 221 TYR 221 199 199 TYR TYR B . n -B 2 222 LEU 222 200 200 LEU LEU B . n -B 2 223 HIS 223 201 201 HIS HIS B . n -B 2 224 PHE 224 202 202 PHE PHE B . n -B 2 225 GLY 225 203 203 GLY GLY B . n -B 2 226 GLU 226 204 204 GLU GLU B . n -B 2 227 PRO 227 205 205 PRO PRO B . n -B 2 228 LYS 228 206 206 LYS LYS B . n -B 2 229 SER 229 207 207 SER SER B . n -B 2 230 TRP 230 208 208 TRP TRP B . n -B 2 231 TYR 231 209 209 TYR TYR B . n -B 2 232 SER 232 210 210 SER SER B . n -B 2 233 VAL 233 211 211 VAL VAL B . n -B 2 234 PRO 234 212 212 PRO PRO B . n -B 2 235 PRO 235 213 213 PRO PRO B . n -B 2 236 GLU 236 214 214 GLU GLU B . n -B 2 237 HIS 237 215 215 HIS HIS B . n -B 2 238 GLY 238 216 216 GLY GLY B . n -B 2 239 LYS 239 217 217 LYS LYS B . n -B 2 240 ARG 240 218 218 ARG ARG B . n -B 2 241 LEU 241 219 219 LEU LEU B . n -B 2 242 GLU 242 220 220 GLU GLU B . n -B 2 243 ARG 243 221 221 ARG ARG B . n -B 2 244 LEU 244 222 222 LEU LEU B . n -B 2 245 ALA 245 223 223 ALA ALA B . n -B 2 246 LYS 246 224 224 LYS LYS B . n -B 2 247 GLY 247 225 225 GLY GLY B . n -B 2 248 PHE 248 226 226 PHE PHE B . n -B 2 249 PHE 249 227 227 PHE PHE B . n -B 2 250 PRO 250 228 228 PRO PRO B . n -B 2 251 GLY 251 229 229 GLY GLY B . n -B 2 252 SER 252 230 230 SER SER B . n -B 2 253 ALA 253 231 231 ALA ALA B . n -B 2 254 GLU 254 232 232 GLU GLU B . n -B 2 255 SER 255 233 233 SER SER B . n -B 2 256 CYS 256 234 234 CYS CYS B . n -B 2 257 GLU 257 235 235 GLU GLU B . n -B 2 258 ALA 258 236 236 ALA ALA B . n -B 2 259 PHE 259 237 237 PHE PHE B . n -B 2 260 LEU 260 238 238 LEU LEU B . n -B 2 261 ARG 261 239 239 ARG ARG B . n -B 2 262 HIS 262 240 240 HIS HIS B . n -B 2 263 LYS 263 241 241 LYS LYS B . n -B 2 264 MET 264 242 242 MET MET B . n -B 2 265 THR 265 243 243 THR THR B . n -B 2 266 LEU 266 244 244 LEU LEU B . n -B 2 267 ILE 267 245 245 ILE ILE B . n -B 2 268 SER 268 246 246 SER SER B . n -B 2 269 PRO 269 247 247 PRO PRO B . n -B 2 270 LEU 270 248 248 LEU LEU B . n -B 2 271 MET 271 249 249 MET MET B . n -B 2 272 LEU 272 250 250 LEU LEU B . n -B 2 273 LYS 273 251 251 LYS LYS B . n -B 2 274 LYS 274 252 252 LYS LYS B . n -B 2 275 TYR 275 253 253 TYR TYR B . n -B 2 276 GLY 276 254 254 GLY GLY B . n -B 2 277 ILE 277 255 255 ILE ILE B . n -B 2 278 PRO 278 256 256 PRO PRO B . n -B 2 279 PHE 279 257 257 PHE PHE B . n -B 2 280 ASP 280 258 258 ASP ASP B . n -B 2 281 LYS 281 259 259 LYS LYS B . n -B 2 282 VAL 282 260 260 VAL VAL B . n -B 2 283 THR 283 261 261 THR THR B . n -B 2 284 GLN 284 262 262 GLN GLN B . n -B 2 285 GLU 285 263 263 GLU GLU B . n -B 2 286 ALA 286 264 264 ALA ALA B . n -B 2 287 GLY 287 265 265 GLY GLY B . n -B 2 288 GLU 288 266 266 GLU GLU B . n -B 2 289 PHE 289 267 267 PHE PHE B . n -B 2 290 MET 290 268 268 MET MET B . n -B 2 291 ILE 291 269 269 ILE ILE B . n -B 2 292 THR 292 270 270 THR THR B . n -B 2 293 PHE 293 271 271 PHE PHE B . n -B 2 294 PRO 294 272 272 PRO PRO B . n -B 2 295 TYR 295 273 273 TYR TYR B . n -B 2 296 GLY 296 274 274 GLY GLY B . n -B 2 297 TYR 297 275 275 TYR TYR B . n -B 2 298 HIS 298 276 276 HIS HIS B . n -B 2 299 ALA 299 277 277 ALA ALA B . n -B 2 300 GLY 300 278 278 GLY GLY B . n -B 2 301 PHE 301 279 279 PHE PHE B . n -B 2 302 ASN 302 280 280 ASN ASN B . n -B 2 303 HIS 303 281 281 HIS HIS B . n -B 2 304 GLY 304 282 282 GLY GLY B . n -B 2 305 PHE 305 283 283 PHE PHE B . n -B 2 306 ASN 306 284 284 ASN ASN B . n -B 2 307 CYS 307 285 285 CYS CYS B . n -B 2 308 ALA 308 286 286 ALA ALA B . n -B 2 309 GLU 309 287 287 GLU GLU B . n -B 2 310 SER 310 288 288 SER SER B . n -B 2 311 THR 311 289 289 THR THR B . n -B 2 312 ASN 312 290 290 ASN ASN B . n -B 2 313 PHE 313 291 291 PHE PHE B . n -B 2 314 ALA 314 292 292 ALA ALA B . n -B 2 315 THR 315 293 293 THR THR B . n -B 2 316 ARG 316 294 294 ARG ARG B . n -B 2 317 ARG 317 295 295 ARG ARG B . n -B 2 318 TRP 318 296 296 TRP TRP B . n -B 2 319 ILE 319 297 297 ILE ILE B . n -B 2 320 GLU 320 298 298 GLU GLU B . n -B 2 321 TYR 321 299 299 TYR TYR B . n -B 2 322 GLY 322 300 300 GLY GLY B . n -B 2 323 LYS 323 301 301 LYS LYS B . n -B 2 324 GLN 324 302 302 GLN GLN B . n -B 2 325 ALA 325 303 303 ALA ALA B . n -B 2 326 VAL 326 304 304 VAL VAL B . n -B 2 327 LEU 327 305 305 LEU LEU B . n -B 2 328 CYS 328 306 306 CYS CYS B . n -B 2 329 SER 329 307 307 SER SER B . n -B 2 330 CYS 330 308 308 CYS CYS B . n -B 2 331 ARG 331 309 309 ARG ARG B . n -B 2 332 LYS 332 310 310 LYS LYS B . n -B 2 333 ASP 333 311 311 ASP ASP B . n -B 2 334 MET 334 312 312 MET MET B . n -B 2 335 VAL 335 313 313 VAL VAL B . n -B 2 336 LYS 336 314 314 LYS LYS B . n -B 2 337 ILE 337 315 315 ILE ILE B . n -B 2 338 SER 338 316 316 SER SER B . n -B 2 339 MET 339 317 317 MET MET B . n -B 2 340 ASP 340 318 318 ASP ASP B . n -B 2 341 VAL 341 319 319 VAL VAL B . n -B 2 342 PHE 342 320 320 PHE PHE B . n -B 2 343 VAL 343 321 321 VAL VAL B . n -B 2 344 ARG 344 322 322 ARG ARG B . n -B 2 345 LYS 345 323 323 LYS LYS B . n -B 2 346 PHE 346 324 324 PHE PHE B . n -B 2 347 GLN 347 325 325 GLN GLN B . n -B 2 348 PRO 348 326 326 PRO PRO B . n -B 2 349 GLU 349 327 327 GLU GLU B . n -B 2 350 ARG 350 328 328 ARG ARG B . n -B 2 351 TYR 351 329 329 TYR TYR B . n -B 2 352 LYS 352 330 330 LYS LYS B . n -B 2 353 LEU 353 331 331 LEU LEU B . n -B 2 354 TRP 354 332 332 TRP TRP B . n -B 2 355 LYS 355 333 333 LYS LYS B . n -B 2 356 ALA 356 334 334 ALA ALA B . n -B 2 357 GLY 357 335 335 GLY GLY B . n -B 2 358 LYS 358 336 336 LYS LYS B . n -B 2 359 ASP 359 337 337 ASP ASP B . n -B 2 360 ASN 360 338 338 ASN ASN B . n -B 2 361 THR 361 339 339 THR THR B . n -B 2 362 VAL 362 340 340 VAL VAL B . n -B 2 363 ILE 363 341 341 ILE ILE B . n -B 2 364 ASP 364 342 342 ASP ASP B . n -B 2 365 HIS 365 343 343 HIS HIS B . n -B 2 366 THR 366 344 344 THR THR B . n -B 2 367 LEU 367 345 345 LEU LEU B . n -B 2 368 PRO 368 346 346 PRO PRO B . n -B 2 369 THR 369 347 347 THR THR B . n -B 2 370 PRO 370 348 348 PRO PRO B . n -B 2 371 GLU 371 349 349 GLU GLU B . n -B 2 372 ALA 372 350 350 ALA ALA B . n -B 2 373 ALA 373 351 351 ALA ALA B . n -B 2 374 GLU 374 352 352 GLU GLU B . n -B 2 375 PHE 375 353 353 PHE PHE B . n -B 2 376 LEU 376 354 ? ? ? B . n -B 2 377 LYS 377 355 ? ? ? B . n -B 2 378 GLU 378 356 ? ? ? B . n -B 2 379 SER 379 357 ? ? ? B . n -B 2 380 GLU 380 358 ? ? ? B . n -B 2 381 LEU 381 359 ? ? ? B . n -# -loop_ -_pdbx_nonpoly_scheme.asym_id -_pdbx_nonpoly_scheme.entity_id -_pdbx_nonpoly_scheme.mon_id -_pdbx_nonpoly_scheme.ndb_seq_num -_pdbx_nonpoly_scheme.pdb_seq_num -_pdbx_nonpoly_scheme.auth_seq_num -_pdbx_nonpoly_scheme.pdb_mon_id -_pdbx_nonpoly_scheme.auth_mon_id -_pdbx_nonpoly_scheme.pdb_strand_id -_pdbx_nonpoly_scheme.pdb_ins_code -C 3 SO4 1 1354 1354 SO4 SO4 A . -D 4 35M 1 1355 1355 35M 35M A . -E 5 MN 1 1356 1356 MN MN A . -F 6 ZN 1 1357 1357 ZN ZN A . -G 7 EDO 1 1358 1358 EDO EDO A . -H 7 EDO 1 1359 1359 EDO EDO A . -I 8 DMS 1 1360 1360 DMS DMS A . -J 3 SO4 1 1354 1354 SO4 SO4 B . -K 4 35M 1 1355 1355 35M 35M B . -L 5 MN 1 1356 1356 MN MN B . -M 6 ZN 1 1357 1357 ZN ZN B . -N 7 EDO 1 1358 1358 EDO EDO B . -O 7 EDO 1 1359 1359 EDO EDO B . -P 7 EDO 1 1360 1360 EDO EDO B . -Q 8 DMS 1 1361 1361 DMS DMS B . -R 9 HOH 1 2001 2001 HOH HOH A . -R 9 HOH 2 2002 2002 HOH HOH A . -R 9 HOH 3 2003 2003 HOH HOH A . -R 9 HOH 4 2004 2004 HOH HOH A . -R 9 HOH 5 2005 2005 HOH HOH A . -R 9 HOH 6 2006 2006 HOH HOH A . -R 9 HOH 7 2007 2007 HOH HOH A . -R 9 HOH 8 2008 2008 HOH HOH A . -R 9 HOH 9 2009 2009 HOH HOH A . -R 9 HOH 10 2010 2010 HOH HOH A . -R 9 HOH 11 2011 2011 HOH HOH A . -R 9 HOH 12 2012 2012 HOH HOH A . -R 9 HOH 13 2013 2013 HOH HOH A . -R 9 HOH 14 2014 2014 HOH HOH A . -R 9 HOH 15 2015 2015 HOH HOH A . -R 9 HOH 16 2016 2016 HOH HOH A . -R 9 HOH 17 2017 2017 HOH HOH A . -R 9 HOH 18 2018 2018 HOH HOH A . -R 9 HOH 19 2019 2019 HOH HOH A . -R 9 HOH 20 2020 2020 HOH HOH A . -R 9 HOH 21 2021 2021 HOH HOH A . -R 9 HOH 22 2022 2022 HOH HOH A . -R 9 HOH 23 2023 2023 HOH HOH A . -R 9 HOH 24 2024 2024 HOH HOH A . -R 9 HOH 25 2025 2025 HOH HOH A . -R 9 HOH 26 2026 2026 HOH HOH A . -R 9 HOH 27 2027 2027 HOH HOH A . -R 9 HOH 28 2028 2028 HOH HOH A . -R 9 HOH 29 2029 2029 HOH HOH A . -R 9 HOH 30 2030 2030 HOH HOH A . -R 9 HOH 31 2031 2031 HOH HOH A . -R 9 HOH 32 2032 2032 HOH HOH A . -R 9 HOH 33 2033 2033 HOH HOH A . -R 9 HOH 34 2034 2034 HOH HOH A . -R 9 HOH 35 2035 2035 HOH HOH A . -R 9 HOH 36 2036 2036 HOH HOH A . -R 9 HOH 37 2037 2037 HOH HOH A . -R 9 HOH 38 2038 2038 HOH HOH A . -R 9 HOH 39 2039 2039 HOH HOH A . -S 9 HOH 1 2001 2001 HOH HOH B . -S 9 HOH 2 2002 2002 HOH HOH B . -S 9 HOH 3 2003 2003 HOH HOH B . -S 9 HOH 4 2004 2004 HOH HOH B . -S 9 HOH 5 2005 2005 HOH HOH B . -S 9 HOH 6 2006 2006 HOH HOH B . -S 9 HOH 7 2007 2007 HOH HOH B . -S 9 HOH 8 2008 2008 HOH HOH B . -S 9 HOH 9 2009 2009 HOH HOH B . -S 9 HOH 10 2010 2010 HOH HOH B . -S 9 HOH 11 2011 2011 HOH HOH B . -S 9 HOH 12 2012 2012 HOH HOH B . -S 9 HOH 13 2013 2013 HOH HOH B . -S 9 HOH 14 2014 2014 HOH HOH B . -S 9 HOH 15 2015 2015 HOH HOH B . -S 9 HOH 16 2016 2016 HOH HOH B . -S 9 HOH 17 2017 2017 HOH HOH B . -S 9 HOH 18 2018 2018 HOH HOH B . -S 9 HOH 19 2019 2019 HOH HOH B . -S 9 HOH 20 2020 2020 HOH HOH B . -S 9 HOH 21 2021 2021 HOH HOH B . -S 9 HOH 22 2022 2022 HOH HOH B . -S 9 HOH 23 2023 2023 HOH HOH B . -S 9 HOH 24 2024 2024 HOH HOH B . -S 9 HOH 25 2025 2025 HOH HOH B . -S 9 HOH 26 2026 2026 HOH HOH B . -S 9 HOH 27 2027 2027 HOH HOH B . -S 9 HOH 28 2028 2028 HOH HOH B . -S 9 HOH 29 2029 2029 HOH HOH B . -S 9 HOH 30 2030 2030 HOH HOH B . -S 9 HOH 31 2031 2031 HOH HOH B . -S 9 HOH 32 2032 2032 HOH HOH B . -S 9 HOH 33 2033 2033 HOH HOH B . -S 9 HOH 34 2034 2034 HOH HOH B . -S 9 HOH 35 2035 2035 HOH HOH B . -S 9 HOH 36 2036 2036 HOH HOH B . -# -loop_ -_pdbx_struct_assembly.id -_pdbx_struct_assembly.details -_pdbx_struct_assembly.method_details -_pdbx_struct_assembly.oligomeric_details -_pdbx_struct_assembly.oligomeric_count -1 author_and_software_defined_assembly PISA monomeric 1 -2 author_and_software_defined_assembly PISA monomeric 1 -# -loop_ -_pdbx_struct_assembly_gen.assembly_id -_pdbx_struct_assembly_gen.oper_expression -_pdbx_struct_assembly_gen.asym_id_list -1 1 A,C,D,E,F,G,H,I,R -2 1 B,J,K,L,M,N,O,P,Q,S -# -_pdbx_struct_oper_list.id 1 -_pdbx_struct_oper_list.type 'identity operation' -_pdbx_struct_oper_list.name 1_555 -_pdbx_struct_oper_list.symmetry_operation x,y,z -_pdbx_struct_oper_list.matrix[1][1] 1.0000000000 -_pdbx_struct_oper_list.matrix[1][2] 0.0000000000 -_pdbx_struct_oper_list.matrix[1][3] 0.0000000000 -_pdbx_struct_oper_list.vector[1] 0.0000000000 -_pdbx_struct_oper_list.matrix[2][1] 0.0000000000 -_pdbx_struct_oper_list.matrix[2][2] 1.0000000000 -_pdbx_struct_oper_list.matrix[2][3] 0.0000000000 -_pdbx_struct_oper_list.vector[2] 0.0000000000 -_pdbx_struct_oper_list.matrix[3][1] 0.0000000000 -_pdbx_struct_oper_list.matrix[3][2] 0.0000000000 -_pdbx_struct_oper_list.matrix[3][3] 1.0000000000 -_pdbx_struct_oper_list.vector[3] 0.0000000000 -# -loop_ -_pdbx_struct_conn_angle.id -_pdbx_struct_conn_angle.ptnr1_label_atom_id -_pdbx_struct_conn_angle.ptnr1_label_alt_id -_pdbx_struct_conn_angle.ptnr1_label_asym_id -_pdbx_struct_conn_angle.ptnr1_label_comp_id -_pdbx_struct_conn_angle.ptnr1_label_seq_id -_pdbx_struct_conn_angle.ptnr1_auth_atom_id -_pdbx_struct_conn_angle.ptnr1_auth_asym_id -_pdbx_struct_conn_angle.ptnr1_auth_comp_id -_pdbx_struct_conn_angle.ptnr1_auth_seq_id -_pdbx_struct_conn_angle.ptnr1_PDB_ins_code -_pdbx_struct_conn_angle.ptnr1_symmetry -_pdbx_struct_conn_angle.ptnr2_label_atom_id -_pdbx_struct_conn_angle.ptnr2_label_alt_id -_pdbx_struct_conn_angle.ptnr2_label_asym_id -_pdbx_struct_conn_angle.ptnr2_label_comp_id -_pdbx_struct_conn_angle.ptnr2_label_seq_id -_pdbx_struct_conn_angle.ptnr2_auth_atom_id -_pdbx_struct_conn_angle.ptnr2_auth_asym_id -_pdbx_struct_conn_angle.ptnr2_auth_comp_id -_pdbx_struct_conn_angle.ptnr2_auth_seq_id -_pdbx_struct_conn_angle.ptnr2_PDB_ins_code -_pdbx_struct_conn_angle.ptnr2_symmetry -_pdbx_struct_conn_angle.ptnr3_label_atom_id -_pdbx_struct_conn_angle.ptnr3_label_alt_id -_pdbx_struct_conn_angle.ptnr3_label_asym_id -_pdbx_struct_conn_angle.ptnr3_label_comp_id -_pdbx_struct_conn_angle.ptnr3_label_seq_id -_pdbx_struct_conn_angle.ptnr3_auth_atom_id -_pdbx_struct_conn_angle.ptnr3_auth_asym_id -_pdbx_struct_conn_angle.ptnr3_auth_comp_id -_pdbx_struct_conn_angle.ptnr3_auth_seq_id -_pdbx_struct_conn_angle.ptnr3_PDB_ins_code -_pdbx_struct_conn_angle.ptnr3_symmetry -_pdbx_struct_conn_angle.value -_pdbx_struct_conn_angle.value_esd -1 O2 ? D 35M . ? A 35M 1355 ? 1_555 MN ? E MN . ? A MN 1356 ? 1_555 N1 ? D 35M . ? A 35M 1355 ? 1_555 67.9 ? -2 O2 ? D 35M . ? A 35M 1355 ? 1_555 MN ? E MN . ? A MN 1356 ? 1_555 NE2 ? A HIS 298 ? A HIS 276 ? 1_555 161.7 ? -3 N1 ? D 35M . ? A 35M 1355 ? 1_555 MN ? E MN . ? A MN 1356 ? 1_555 NE2 ? A HIS 298 ? A HIS 276 ? 1_555 112.8 ? -4 O2 ? D 35M . ? A 35M 1355 ? 1_555 MN ? E MN . ? A MN 1356 ? 1_555 O ? R HOH . ? A HOH 2019 ? 1_555 82.6 ? -5 N1 ? D 35M . ? A 35M 1355 ? 1_555 MN ? E MN . ? A MN 1356 ? 1_555 O ? R HOH . ? A HOH 2019 ? 1_555 73.9 ? -6 NE2 ? A HIS 298 ? A HIS 276 ? 1_555 MN ? E MN . ? A MN 1356 ? 1_555 O ? R HOH . ? A HOH 2019 ? 1_555 80.2 ? -7 O2 ? D 35M . ? A 35M 1355 ? 1_555 MN ? E MN . ? A MN 1356 ? 1_555 NE2 ? A HIS 210 ? A HIS 188 ? 1_555 94.7 ? -8 N1 ? D 35M . ? A 35M 1355 ? 1_555 MN ? E MN . ? A MN 1356 ? 1_555 NE2 ? A HIS 210 ? A HIS 188 ? 1_555 95.1 ? -9 NE2 ? A HIS 298 ? A HIS 276 ? 1_555 MN ? E MN . ? A MN 1356 ? 1_555 NE2 ? A HIS 210 ? A HIS 188 ? 1_555 103.4 ? -10 O ? R HOH . ? A HOH 2019 ? 1_555 MN ? E MN . ? A MN 1356 ? 1_555 NE2 ? A HIS 210 ? A HIS 188 ? 1_555 168.9 ? -11 O2 ? D 35M . ? A 35M 1355 ? 1_555 MN ? E MN . ? A MN 1356 ? 1_555 OE2 ? A GLU 212 ? A GLU 190 ? 1_555 77.3 ? -12 N1 ? D 35M . ? A 35M 1355 ? 1_555 MN ? E MN . ? A MN 1356 ? 1_555 OE2 ? A GLU 212 ? A GLU 190 ? 1_555 135.5 ? -13 NE2 ? A HIS 298 ? A HIS 276 ? 1_555 MN ? E MN . ? A MN 1356 ? 1_555 OE2 ? A GLU 212 ? A GLU 190 ? 1_555 92.1 ? -14 O ? R HOH . ? A HOH 2019 ? 1_555 MN ? E MN . ? A MN 1356 ? 1_555 OE2 ? A GLU 212 ? A GLU 190 ? 1_555 74.8 ? -15 NE2 ? A HIS 210 ? A HIS 188 ? 1_555 MN ? E MN . ? A MN 1356 ? 1_555 OE2 ? A GLU 212 ? A GLU 190 ? 1_555 115.2 ? -16 SG ? A CYS 330 ? A CYS 308 ? 1_555 ZN ? F ZN . ? A ZN 1357 ? 1_555 SG ? A CYS 328 ? A CYS 306 ? 1_555 112.8 ? -17 SG ? A CYS 330 ? A CYS 308 ? 1_555 ZN ? F ZN . ? A ZN 1357 ? 1_555 NE2 ? A HIS 262 ? A HIS 240 ? 1_555 106.2 ? -18 SG ? A CYS 328 ? A CYS 306 ? 1_555 ZN ? F ZN . ? A ZN 1357 ? 1_555 NE2 ? A HIS 262 ? A HIS 240 ? 1_555 95.3 ? -19 SG ? A CYS 330 ? A CYS 308 ? 1_555 ZN ? F ZN . ? A ZN 1357 ? 1_555 SG ? A CYS 256 ? A CYS 234 ? 1_555 116.1 ? -20 SG ? A CYS 328 ? A CYS 306 ? 1_555 ZN ? F ZN . ? A ZN 1357 ? 1_555 SG ? A CYS 256 ? A CYS 234 ? 1_555 111.3 ? -21 NE2 ? A HIS 262 ? A HIS 240 ? 1_555 ZN ? F ZN . ? A ZN 1357 ? 1_555 SG ? A CYS 256 ? A CYS 234 ? 1_555 113.3 ? -22 N1 ? K 35M . ? B 35M 1355 ? 1_555 MN ? L MN . ? B MN 1356 ? 1_555 O2 ? K 35M . ? B 35M 1355 ? 1_555 77.8 ? -23 N1 ? K 35M . ? B 35M 1355 ? 1_555 MN ? L MN . ? B MN 1356 ? 1_555 O ? S HOH . ? B HOH 2022 ? 1_555 69.7 ? -24 O2 ? K 35M . ? B 35M 1355 ? 1_555 MN ? L MN . ? B MN 1356 ? 1_555 O ? S HOH . ? B HOH 2022 ? 1_555 89.7 ? -25 N1 ? K 35M . ? B 35M 1355 ? 1_555 MN ? L MN . ? B MN 1356 ? 1_555 NE2 ? B HIS 298 ? B HIS 276 ? 1_555 109.5 ? -26 O2 ? K 35M . ? B 35M 1355 ? 1_555 MN ? L MN . ? B MN 1356 ? 1_555 NE2 ? B HIS 298 ? B HIS 276 ? 1_555 164.0 ? -27 O ? S HOH . ? B HOH 2022 ? 1_555 MN ? L MN . ? B MN 1356 ? 1_555 NE2 ? B HIS 298 ? B HIS 276 ? 1_555 80.0 ? -28 N1 ? K 35M . ? B 35M 1355 ? 1_555 MN ? L MN . ? B MN 1356 ? 1_555 OE2 ? B GLU 212 ? B GLU 190 ? 1_555 135.9 ? -29 O2 ? K 35M . ? B 35M 1355 ? 1_555 MN ? L MN . ? B MN 1356 ? 1_555 OE2 ? B GLU 212 ? B GLU 190 ? 1_555 79.1 ? -30 O ? S HOH . ? B HOH 2022 ? 1_555 MN ? L MN . ? B MN 1356 ? 1_555 OE2 ? B GLU 212 ? B GLU 190 ? 1_555 73.2 ? -31 NE2 ? B HIS 298 ? B HIS 276 ? 1_555 MN ? L MN . ? B MN 1356 ? 1_555 OE2 ? B GLU 212 ? B GLU 190 ? 1_555 86.2 ? -32 N1 ? K 35M . ? B 35M 1355 ? 1_555 MN ? L MN . ? B MN 1356 ? 1_555 NE2 ? B HIS 210 ? B HIS 188 ? 1_555 103.6 ? -33 O2 ? K 35M . ? B 35M 1355 ? 1_555 MN ? L MN . ? B MN 1356 ? 1_555 NE2 ? B HIS 210 ? B HIS 188 ? 1_555 99.3 ? -34 O ? S HOH . ? B HOH 2022 ? 1_555 MN ? L MN . ? B MN 1356 ? 1_555 NE2 ? B HIS 210 ? B HIS 188 ? 1_555 167.5 ? -35 NE2 ? B HIS 298 ? B HIS 276 ? 1_555 MN ? L MN . ? B MN 1356 ? 1_555 NE2 ? B HIS 210 ? B HIS 188 ? 1_555 92.9 ? -36 OE2 ? B GLU 212 ? B GLU 190 ? 1_555 MN ? L MN . ? B MN 1356 ? 1_555 NE2 ? B HIS 210 ? B HIS 188 ? 1_555 116.9 ? -37 SG ? B CYS 330 ? B CYS 308 ? 1_555 ZN ? M ZN . ? B ZN 1357 ? 1_555 NE2 ? B HIS 262 ? B HIS 240 ? 1_555 100.0 ? -38 SG ? B CYS 330 ? B CYS 308 ? 1_555 ZN ? M ZN . ? B ZN 1357 ? 1_555 SG ? B CYS 256 ? B CYS 234 ? 1_555 118.0 ? -39 NE2 ? B HIS 262 ? B HIS 240 ? 1_555 ZN ? M ZN . ? B ZN 1357 ? 1_555 SG ? B CYS 256 ? B CYS 234 ? 1_555 111.8 ? -40 SG ? B CYS 330 ? B CYS 308 ? 1_555 ZN ? M ZN . ? B ZN 1357 ? 1_555 SG ? B CYS 328 ? B CYS 306 ? 1_555 112.7 ? -41 NE2 ? B HIS 262 ? B HIS 240 ? 1_555 ZN ? M ZN . ? B ZN 1357 ? 1_555 SG ? B CYS 328 ? B CYS 306 ? 1_555 99.8 ? -42 SG ? B CYS 256 ? B CYS 234 ? 1_555 ZN ? M ZN . ? B ZN 1357 ? 1_555 SG ? B CYS 328 ? B CYS 306 ? 1_555 112.3 ? -# -loop_ -_pdbx_audit_revision_history.ordinal -_pdbx_audit_revision_history.data_content_type -_pdbx_audit_revision_history.major_revision -_pdbx_audit_revision_history.minor_revision -_pdbx_audit_revision_history.revision_date -1 'Structure model' 1 0 2016-01-13 -2 'Structure model' 1 1 2016-03-09 -3 'Structure model' 1 2 2018-01-24 -# -_pdbx_audit_revision_details.ordinal 1 -_pdbx_audit_revision_details.revision_ordinal 1 -_pdbx_audit_revision_details.data_content_type 'Structure model' -_pdbx_audit_revision_details.provider repository -_pdbx_audit_revision_details.type 'Initial release' -_pdbx_audit_revision_details.description ? -# -loop_ -_pdbx_audit_revision_group.ordinal -_pdbx_audit_revision_group.revision_ordinal -_pdbx_audit_revision_group.data_content_type -_pdbx_audit_revision_group.group -1 2 'Structure model' 'Database references' -2 3 'Structure model' 'Structure summary' -# -_pdbx_audit_revision_category.ordinal 1 -_pdbx_audit_revision_category.revision_ordinal 3 -_pdbx_audit_revision_category.data_content_type 'Structure model' -_pdbx_audit_revision_category.category audit_author -# -_pdbx_audit_revision_item.ordinal 1 -_pdbx_audit_revision_item.revision_ordinal 3 -_pdbx_audit_revision_item.data_content_type 'Structure model' -_pdbx_audit_revision_item.item '_audit_author.name' -# -loop_ -_software.name -_software.classification -_software.version -_software.citation_id -_software.pdbx_ordinal -_software.date -_software.type -_software.location -_software.language -PHENIX refinement '(PHENIX.REFINE)' ? 1 ? ? ? ? -XDS 'data reduction' . ? 2 ? ? ? ? -SCALA 'data scaling' . ? 3 ? ? ? ? -PHENIX phasing . ? 4 ? ? ? ? -# -loop_ -_pdbx_validate_close_contact.id -_pdbx_validate_close_contact.PDB_model_num -_pdbx_validate_close_contact.auth_atom_id_1 -_pdbx_validate_close_contact.auth_asym_id_1 -_pdbx_validate_close_contact.auth_comp_id_1 -_pdbx_validate_close_contact.auth_seq_id_1 -_pdbx_validate_close_contact.PDB_ins_code_1 -_pdbx_validate_close_contact.label_alt_id_1 -_pdbx_validate_close_contact.auth_atom_id_2 -_pdbx_validate_close_contact.auth_asym_id_2 -_pdbx_validate_close_contact.auth_comp_id_2 -_pdbx_validate_close_contact.auth_seq_id_2 -_pdbx_validate_close_contact.PDB_ins_code_2 -_pdbx_validate_close_contact.label_alt_id_2 -_pdbx_validate_close_contact.dist -1 1 O B HOH 2033 ? ? O B HOH 2034 ? ? 2.09 -2 1 OH B TYR 111 ? ? O B HOH 2014 ? ? 2.16 -# -loop_ -_pdbx_validate_torsion.id -_pdbx_validate_torsion.PDB_model_num -_pdbx_validate_torsion.auth_comp_id -_pdbx_validate_torsion.auth_asym_id -_pdbx_validate_torsion.auth_seq_id -_pdbx_validate_torsion.PDB_ins_code -_pdbx_validate_torsion.label_alt_id -_pdbx_validate_torsion.phi -_pdbx_validate_torsion.psi -1 1 SER A 103 ? ? -48.69 153.89 -2 1 SER A 112 ? ? -87.80 -89.40 -3 1 ASN A 128 ? ? 37.46 67.85 -4 1 SER A 164 ? ? -153.69 -8.12 -5 1 VAL A 171 ? ? -95.59 -65.98 -6 1 LYS A 182 ? ? 77.71 -2.63 -7 1 ASN A 338 ? ? -96.88 37.08 -8 1 SER B 103 ? ? -48.19 154.97 -9 1 SER B 112 ? ? -87.19 -89.27 -10 1 ARG B 154 ? ? -105.85 69.27 -11 1 LYS B 182 ? ? 79.93 -1.80 -12 1 ASN B 338 ? ? -97.06 37.30 -# -loop_ -_pdbx_unobs_or_zero_occ_atoms.id -_pdbx_unobs_or_zero_occ_atoms.PDB_model_num -_pdbx_unobs_or_zero_occ_atoms.polymer_flag -_pdbx_unobs_or_zero_occ_atoms.occupancy_flag -_pdbx_unobs_or_zero_occ_atoms.auth_asym_id -_pdbx_unobs_or_zero_occ_atoms.auth_comp_id -_pdbx_unobs_or_zero_occ_atoms.auth_seq_id -_pdbx_unobs_or_zero_occ_atoms.PDB_ins_code -_pdbx_unobs_or_zero_occ_atoms.auth_atom_id -_pdbx_unobs_or_zero_occ_atoms.label_alt_id -_pdbx_unobs_or_zero_occ_atoms.label_asym_id -_pdbx_unobs_or_zero_occ_atoms.label_comp_id -_pdbx_unobs_or_zero_occ_atoms.label_seq_id -_pdbx_unobs_or_zero_occ_atoms.label_atom_id -1 1 Y 1 A LEU 8 ? N ? A LEU 30 N -2 1 Y 1 A LEU 8 ? CA ? A LEU 30 CA -3 1 Y 1 A LEU 8 ? CB ? A LEU 30 CB -4 1 Y 1 A LEU 8 ? CG ? A LEU 30 CG -5 1 Y 1 A LEU 8 ? CD1 ? A LEU 30 CD1 -6 1 Y 1 A LEU 8 ? CD2 ? A LEU 30 CD2 -7 1 Y 1 A ARG 13 ? NE ? A ARG 35 NE -8 1 Y 1 A ARG 13 ? CZ ? A ARG 35 CZ -9 1 Y 1 A ARG 13 ? NH1 ? A ARG 35 NH1 -10 1 Y 1 A ARG 13 ? NH2 ? A ARG 35 NH2 -11 1 Y 1 A GLU 22 ? CG ? A GLU 44 CG -12 1 Y 1 A GLU 22 ? CD ? A GLU 44 CD -13 1 Y 1 A GLU 22 ? OE1 ? A GLU 44 OE1 -14 1 Y 1 A GLU 22 ? OE2 ? A GLU 44 OE2 -15 1 Y 1 A ARG 25 ? CG ? A ARG 47 CG -16 1 Y 1 A ARG 25 ? CD ? A ARG 47 CD -17 1 Y 1 A ARG 25 ? NE ? A ARG 47 NE -18 1 Y 1 A ARG 25 ? CZ ? A ARG 47 CZ -19 1 Y 1 A ARG 25 ? NH1 ? A ARG 47 NH1 -20 1 Y 1 A ARG 25 ? NH2 ? A ARG 47 NH2 -21 1 Y 1 A LYS 51 ? CG ? A LYS 73 CG -22 1 Y 1 A LYS 51 ? CD ? A LYS 73 CD -23 1 Y 1 A LYS 51 ? CE ? A LYS 73 CE -24 1 Y 1 A LYS 51 ? NZ ? A LYS 73 NZ -25 1 Y 1 A GLU 52 ? CG ? A GLU 74 CG -26 1 Y 1 A GLU 52 ? CD ? A GLU 74 CD -27 1 Y 1 A GLU 52 ? OE1 ? A GLU 74 OE1 -28 1 Y 1 A GLU 52 ? OE2 ? A GLU 74 OE2 -29 1 Y 1 A LYS 54 ? CG ? A LYS 76 CG -30 1 Y 1 A LYS 54 ? CD ? A LYS 76 CD -31 1 Y 1 A LYS 54 ? CE ? A LYS 76 CE -32 1 Y 1 A LYS 54 ? NZ ? A LYS 76 NZ -33 1 Y 1 A ASP 61 ? CG ? A ASP 83 CG -34 1 Y 1 A ASP 61 ? OD1 ? A ASP 83 OD1 -35 1 Y 1 A ASP 61 ? OD2 ? A ASP 83 OD2 -36 1 Y 1 A ASP 63 ? CG ? A ASP 85 CG -37 1 Y 1 A ASP 63 ? OD1 ? A ASP 85 OD1 -38 1 Y 1 A ASP 63 ? OD2 ? A ASP 85 OD2 -39 1 Y 1 A ASP 64 ? CG ? A ASP 86 CG -40 1 Y 1 A ASP 64 ? OD1 ? A ASP 86 OD1 -41 1 Y 1 A ASP 64 ? OD2 ? A ASP 86 OD2 -42 1 Y 1 A LYS 89 ? CG ? A LYS 111 CG -43 1 Y 1 A LYS 89 ? CD ? A LYS 111 CD -44 1 Y 1 A LYS 89 ? CE ? A LYS 111 CE -45 1 Y 1 A LYS 89 ? NZ ? A LYS 111 NZ -46 1 Y 1 A ARG 95 ? CG ? A ARG 117 CG -47 1 Y 1 A ARG 95 ? CD ? A ARG 117 CD -48 1 Y 1 A ARG 95 ? NE ? A ARG 117 NE -49 1 Y 1 A ARG 95 ? CZ ? A ARG 117 CZ -50 1 Y 1 A ARG 95 ? NH1 ? A ARG 117 NH1 -51 1 Y 1 A ARG 95 ? NH2 ? A ARG 117 NH2 -52 1 Y 1 A LYS 99 ? CG ? A LYS 121 CG -53 1 Y 1 A LYS 99 ? CD ? A LYS 121 CD -54 1 Y 1 A LYS 99 ? CE ? A LYS 121 CE -55 1 Y 1 A LYS 99 ? NZ ? A LYS 121 NZ -56 1 Y 1 A ASP 104 ? CG ? A ASP 126 CG -57 1 Y 1 A ASP 104 ? OD1 ? A ASP 126 OD1 -58 1 Y 1 A ASP 104 ? OD2 ? A ASP 126 OD2 -59 1 Y 1 A ARG 110 ? CG ? A ARG 132 CG -60 1 Y 1 A ARG 110 ? CD ? A ARG 132 CD -61 1 Y 1 A ARG 110 ? NE ? A ARG 132 NE -62 1 Y 1 A ARG 110 ? CZ ? A ARG 132 CZ -63 1 Y 1 A ARG 110 ? NH1 ? A ARG 132 NH1 -64 1 Y 1 A ARG 110 ? NH2 ? A ARG 132 NH2 -65 1 Y 1 A SER 112 ? OG ? A SER 134 OG -66 1 Y 1 A GLU 113 ? CG ? A GLU 135 CG -67 1 Y 1 A GLU 113 ? CD ? A GLU 135 CD -68 1 Y 1 A GLU 113 ? OE1 ? A GLU 135 OE1 -69 1 Y 1 A GLU 113 ? OE2 ? A GLU 135 OE2 -70 1 Y 1 A GLU 115 ? CD ? A GLU 137 CD -71 1 Y 1 A GLU 115 ? OE1 ? A GLU 137 OE1 -72 1 Y 1 A GLU 115 ? OE2 ? A GLU 137 OE2 -73 1 Y 1 A LYS 120 ? CG ? A LYS 142 CG -74 1 Y 1 A LYS 120 ? CD ? A LYS 142 CD -75 1 Y 1 A LYS 120 ? CE ? A LYS 142 CE -76 1 Y 1 A LYS 120 ? NZ ? A LYS 142 NZ -77 1 Y 1 A LYS 123 ? CG ? A LYS 145 CG -78 1 Y 1 A LYS 123 ? CD ? A LYS 145 CD -79 1 Y 1 A LYS 123 ? CE ? A LYS 145 CE -80 1 Y 1 A LYS 123 ? NZ ? A LYS 145 NZ -81 1 Y 1 A GLU 142 ? CG ? A GLU 164 CG -82 1 Y 1 A GLU 142 ? CD ? A GLU 164 CD -83 1 Y 1 A GLU 142 ? OE1 ? A GLU 164 OE1 -84 1 Y 1 A GLU 142 ? OE2 ? A GLU 164 OE2 -85 1 Y 1 A LYS 143 ? CG ? A LYS 165 CG -86 1 Y 1 A LYS 143 ? CD ? A LYS 165 CD -87 1 Y 1 A LYS 143 ? CE ? A LYS 165 CE -88 1 Y 1 A LYS 143 ? NZ ? A LYS 165 NZ -89 1 Y 1 A VAL 145 ? CG1 ? A VAL 167 CG1 -90 1 Y 1 A VAL 145 ? CG2 ? A VAL 167 CG2 -91 1 Y 1 A ASP 146 ? CG ? A ASP 168 CG -92 1 Y 1 A ASP 146 ? OD1 ? A ASP 168 OD1 -93 1 Y 1 A ASP 146 ? OD2 ? A ASP 168 OD2 -94 1 Y 1 A ARG 154 ? CG ? A ARG 176 CG -95 1 Y 1 A ARG 154 ? CD ? A ARG 176 CD -96 1 Y 1 A ARG 154 ? NE ? A ARG 176 NE -97 1 Y 1 A ARG 154 ? CZ ? A ARG 176 CZ -98 1 Y 1 A ARG 154 ? NH1 ? A ARG 176 NH1 -99 1 Y 1 A ARG 154 ? NH2 ? A ARG 176 NH2 -100 1 Y 1 A GLU 161 ? OE1 ? A GLU 183 OE1 -101 1 Y 1 A GLU 161 ? OE2 ? A GLU 183 OE2 -102 1 Y 1 A LYS 162 ? CG ? A LYS 184 CG -103 1 Y 1 A LYS 162 ? CD ? A LYS 184 CD -104 1 Y 1 A LYS 162 ? CE ? A LYS 184 CE -105 1 Y 1 A LYS 162 ? NZ ? A LYS 184 NZ -106 1 Y 1 A GLU 169 ? CG ? A GLU 191 CG -107 1 Y 1 A GLU 169 ? CD ? A GLU 191 CD -108 1 Y 1 A GLU 169 ? OE1 ? A GLU 191 OE1 -109 1 Y 1 A GLU 169 ? OE2 ? A GLU 191 OE2 -110 1 Y 1 A GLU 235 ? CG ? A GLU 257 CG -111 1 Y 1 A GLU 235 ? CD ? A GLU 257 CD -112 1 Y 1 A GLU 235 ? OE1 ? A GLU 257 OE1 -113 1 Y 1 A GLU 235 ? OE2 ? A GLU 257 OE2 -114 1 Y 1 A LYS 252 ? CE ? A LYS 274 CE -115 1 Y 1 A LYS 252 ? NZ ? A LYS 274 NZ -116 1 Y 1 A GLU 263 ? CG ? A GLU 285 CG -117 1 Y 1 A GLU 263 ? CD ? A GLU 285 CD -118 1 Y 1 A GLU 263 ? OE1 ? A GLU 285 OE1 -119 1 Y 1 A GLU 263 ? OE2 ? A GLU 285 OE2 -120 1 Y 1 A GLU 266 ? CG ? A GLU 288 CG -121 1 Y 1 A GLU 266 ? CD ? A GLU 288 CD -122 1 Y 1 A GLU 266 ? OE1 ? A GLU 288 OE1 -123 1 Y 1 A GLU 266 ? OE2 ? A GLU 288 OE2 -124 1 Y 1 A LYS 310 ? CG ? A LYS 332 CG -125 1 Y 1 A LYS 310 ? CD ? A LYS 332 CD -126 1 Y 1 A LYS 310 ? CE ? A LYS 332 CE -127 1 Y 1 A LYS 310 ? NZ ? A LYS 332 NZ -128 1 Y 1 A ASP 311 ? CG ? A ASP 333 CG -129 1 Y 1 A ASP 311 ? OD1 ? A ASP 333 OD1 -130 1 Y 1 A ASP 311 ? OD2 ? A ASP 333 OD2 -131 1 Y 1 A VAL 313 ? CG1 ? A VAL 335 CG1 -132 1 Y 1 A VAL 313 ? CG2 ? A VAL 335 CG2 -133 1 Y 1 A ARG 322 ? CG ? A ARG 344 CG -134 1 Y 1 A ARG 322 ? CD ? A ARG 344 CD -135 1 Y 1 A ARG 322 ? NE ? A ARG 344 NE -136 1 Y 1 A ARG 322 ? CZ ? A ARG 344 CZ -137 1 Y 1 A ARG 322 ? NH1 ? A ARG 344 NH1 -138 1 Y 1 A ARG 322 ? NH2 ? A ARG 344 NH2 -139 1 Y 1 A LYS 330 ? CD ? A LYS 352 CD -140 1 Y 1 A LYS 330 ? CE ? A LYS 352 CE -141 1 Y 1 A LYS 330 ? NZ ? A LYS 352 NZ -142 1 Y 1 A THR 339 ? OG1 ? A THR 361 OG1 -143 1 Y 1 A THR 339 ? CG2 ? A THR 361 CG2 -144 1 Y 1 A LEU 345 ? CG ? A LEU 367 CG -145 1 Y 1 A LEU 345 ? CD1 ? A LEU 367 CD1 -146 1 Y 1 A LEU 345 ? CD2 ? A LEU 367 CD2 -147 1 Y 1 A GLU 349 ? CG ? A GLU 371 CG -148 1 Y 1 A GLU 349 ? CD ? A GLU 371 CD -149 1 Y 1 A GLU 349 ? OE1 ? A GLU 371 OE1 -150 1 Y 1 A GLU 349 ? OE2 ? A GLU 371 OE2 -151 1 Y 1 B MET 21 ? CG ? B MET 43 CG -152 1 Y 1 B MET 21 ? SD ? B MET 43 SD -153 1 Y 1 B MET 21 ? CE ? B MET 43 CE -154 1 Y 1 B GLU 22 ? CG ? B GLU 44 CG -155 1 Y 1 B GLU 22 ? CD ? B GLU 44 CD -156 1 Y 1 B GLU 22 ? OE1 ? B GLU 44 OE1 -157 1 Y 1 B GLU 22 ? OE2 ? B GLU 44 OE2 -158 1 Y 1 B ARG 25 ? CG ? B ARG 47 CG -159 1 Y 1 B ARG 25 ? CD ? B ARG 47 CD -160 1 Y 1 B ARG 25 ? NE ? B ARG 47 NE -161 1 Y 1 B ARG 25 ? CZ ? B ARG 47 CZ -162 1 Y 1 B ARG 25 ? NH1 ? B ARG 47 NH1 -163 1 Y 1 B ARG 25 ? NH2 ? B ARG 47 NH2 -164 1 Y 1 B ARG 29 ? CZ ? B ARG 51 CZ -165 1 Y 1 B ARG 29 ? NH1 ? B ARG 51 NH1 -166 1 Y 1 B ARG 29 ? NH2 ? B ARG 51 NH2 -167 1 Y 1 B LYS 51 ? CG ? B LYS 73 CG -168 1 Y 1 B LYS 51 ? CD ? B LYS 73 CD -169 1 Y 1 B LYS 51 ? CE ? B LYS 73 CE -170 1 Y 1 B LYS 51 ? NZ ? B LYS 73 NZ -171 1 Y 1 B GLU 52 ? CG ? B GLU 74 CG -172 1 Y 1 B GLU 52 ? CD ? B GLU 74 CD -173 1 Y 1 B GLU 52 ? OE1 ? B GLU 74 OE1 -174 1 Y 1 B GLU 52 ? OE2 ? B GLU 74 OE2 -175 1 Y 1 B LYS 54 ? CG ? B LYS 76 CG -176 1 Y 1 B LYS 54 ? CD ? B LYS 76 CD -177 1 Y 1 B LYS 54 ? CE ? B LYS 76 CE -178 1 Y 1 B LYS 54 ? NZ ? B LYS 76 NZ -179 1 Y 1 B ASP 60 ? CG ? B ASP 82 CG -180 1 Y 1 B ASP 60 ? OD1 ? B ASP 82 OD1 -181 1 Y 1 B ASP 60 ? OD2 ? B ASP 82 OD2 -182 1 Y 1 B ASP 63 ? CG ? B ASP 85 CG -183 1 Y 1 B ASP 63 ? OD1 ? B ASP 85 OD1 -184 1 Y 1 B ASP 63 ? OD2 ? B ASP 85 OD2 -185 1 Y 1 B ASP 64 ? CG ? B ASP 86 CG -186 1 Y 1 B ASP 64 ? OD1 ? B ASP 86 OD1 -187 1 Y 1 B ASP 64 ? OD2 ? B ASP 86 OD2 -188 1 Y 1 B LYS 90 ? CG ? B LYS 112 CG -189 1 Y 1 B LYS 90 ? CD ? B LYS 112 CD -190 1 Y 1 B LYS 90 ? CE ? B LYS 112 CE -191 1 Y 1 B LYS 90 ? NZ ? B LYS 112 NZ -192 1 Y 1 B GLU 96 ? CG ? B GLU 118 CG -193 1 Y 1 B GLU 96 ? CD ? B GLU 118 CD -194 1 Y 1 B GLU 96 ? OE1 ? B GLU 118 OE1 -195 1 Y 1 B GLU 96 ? OE2 ? B GLU 118 OE2 -196 1 Y 1 B LYS 99 ? CD ? B LYS 121 CD -197 1 Y 1 B LYS 99 ? CE ? B LYS 121 CE -198 1 Y 1 B LYS 99 ? NZ ? B LYS 121 NZ -199 1 Y 1 B ASP 104 ? CG ? B ASP 126 CG -200 1 Y 1 B ASP 104 ? OD1 ? B ASP 126 OD1 -201 1 Y 1 B ASP 104 ? OD2 ? B ASP 126 OD2 -202 1 Y 1 B ARG 110 ? CG ? B ARG 132 CG -203 1 Y 1 B ARG 110 ? CD ? B ARG 132 CD -204 1 Y 1 B ARG 110 ? NE ? B ARG 132 NE -205 1 Y 1 B ARG 110 ? CZ ? B ARG 132 CZ -206 1 Y 1 B ARG 110 ? NH1 ? B ARG 132 NH1 -207 1 Y 1 B ARG 110 ? NH2 ? B ARG 132 NH2 -208 1 Y 1 B SER 112 ? OG ? B SER 134 OG -209 1 Y 1 B GLU 113 ? CG ? B GLU 135 CG -210 1 Y 1 B GLU 113 ? CD ? B GLU 135 CD -211 1 Y 1 B GLU 113 ? OE1 ? B GLU 135 OE1 -212 1 Y 1 B GLU 113 ? OE2 ? B GLU 135 OE2 -213 1 Y 1 B GLU 115 ? CG ? B GLU 137 CG -214 1 Y 1 B GLU 115 ? CD ? B GLU 137 CD -215 1 Y 1 B GLU 115 ? OE1 ? B GLU 137 OE1 -216 1 Y 1 B GLU 115 ? OE2 ? B GLU 137 OE2 -217 1 Y 1 B GLU 116 ? CG ? B GLU 138 CG -218 1 Y 1 B GLU 116 ? CD ? B GLU 138 CD -219 1 Y 1 B GLU 116 ? OE1 ? B GLU 138 OE1 -220 1 Y 1 B GLU 116 ? OE2 ? B GLU 138 OE2 -221 1 Y 1 B ARG 119 ? CG ? B ARG 141 CG -222 1 Y 1 B ARG 119 ? CD ? B ARG 141 CD -223 1 Y 1 B ARG 119 ? NE ? B ARG 141 NE -224 1 Y 1 B ARG 119 ? CZ ? B ARG 141 CZ -225 1 Y 1 B ARG 119 ? NH1 ? B ARG 141 NH1 -226 1 Y 1 B ARG 119 ? NH2 ? B ARG 141 NH2 -227 1 Y 1 B GLU 142 ? CG ? B GLU 164 CG -228 1 Y 1 B GLU 142 ? CD ? B GLU 164 CD -229 1 Y 1 B GLU 142 ? OE1 ? B GLU 164 OE1 -230 1 Y 1 B GLU 142 ? OE2 ? B GLU 164 OE2 -231 1 Y 1 B LYS 143 ? CG ? B LYS 165 CG -232 1 Y 1 B LYS 143 ? CD ? B LYS 165 CD -233 1 Y 1 B LYS 143 ? CE ? B LYS 165 CE -234 1 Y 1 B LYS 143 ? NZ ? B LYS 165 NZ -235 1 Y 1 B ASP 146 ? CG ? B ASP 168 CG -236 1 Y 1 B ASP 146 ? OD1 ? B ASP 168 OD1 -237 1 Y 1 B ASP 146 ? OD2 ? B ASP 168 OD2 -238 1 Y 1 B ARG 154 ? CG ? B ARG 176 CG -239 1 Y 1 B ARG 154 ? CD ? B ARG 176 CD -240 1 Y 1 B ARG 154 ? NE ? B ARG 176 NE -241 1 Y 1 B ARG 154 ? CZ ? B ARG 176 CZ -242 1 Y 1 B ARG 154 ? NH1 ? B ARG 176 NH1 -243 1 Y 1 B ARG 154 ? NH2 ? B ARG 176 NH2 -244 1 Y 1 B ASP 158 ? CG ? B ASP 180 CG -245 1 Y 1 B ASP 158 ? OD1 ? B ASP 180 OD1 -246 1 Y 1 B ASP 158 ? OD2 ? B ASP 180 OD2 -247 1 Y 1 B GLU 161 ? CD ? B GLU 183 CD -248 1 Y 1 B GLU 161 ? OE1 ? B GLU 183 OE1 -249 1 Y 1 B GLU 161 ? OE2 ? B GLU 183 OE2 -250 1 Y 1 B LYS 162 ? CG ? B LYS 184 CG -251 1 Y 1 B LYS 162 ? CD ? B LYS 184 CD -252 1 Y 1 B LYS 162 ? CE ? B LYS 184 CE -253 1 Y 1 B LYS 162 ? NZ ? B LYS 184 NZ -254 1 Y 1 B GLU 163 ? CG ? B GLU 185 CG -255 1 Y 1 B GLU 163 ? CD ? B GLU 185 CD -256 1 Y 1 B GLU 163 ? OE1 ? B GLU 185 OE1 -257 1 Y 1 B GLU 163 ? OE2 ? B GLU 185 OE2 -258 1 Y 1 B SER 164 ? OG ? B SER 186 OG -259 1 Y 1 B ILE 166 ? CG1 ? B ILE 188 CG1 -260 1 Y 1 B ILE 166 ? CG2 ? B ILE 188 CG2 -261 1 Y 1 B ILE 166 ? CD1 ? B ILE 188 CD1 -262 1 Y 1 B THR 167 ? OG1 ? B THR 189 OG1 -263 1 Y 1 B THR 167 ? CG2 ? B THR 189 CG2 -264 1 Y 1 B ILE 168 ? CG1 ? B ILE 190 CG1 -265 1 Y 1 B ILE 168 ? CG2 ? B ILE 190 CG2 -266 1 Y 1 B ILE 168 ? CD1 ? B ILE 190 CD1 -267 1 Y 1 B GLU 169 ? CG ? B GLU 191 CG -268 1 Y 1 B GLU 169 ? CD ? B GLU 191 CD -269 1 Y 1 B GLU 169 ? OE1 ? B GLU 191 OE1 -270 1 Y 1 B GLU 169 ? OE2 ? B GLU 191 OE2 -271 1 Y 1 B GLU 235 ? CG ? B GLU 257 CG -272 1 Y 1 B GLU 235 ? CD ? B GLU 257 CD -273 1 Y 1 B GLU 235 ? OE1 ? B GLU 257 OE1 -274 1 Y 1 B GLU 235 ? OE2 ? B GLU 257 OE2 -275 1 Y 1 B GLU 266 ? CG ? B GLU 288 CG -276 1 Y 1 B GLU 266 ? CD ? B GLU 288 CD -277 1 Y 1 B GLU 266 ? OE1 ? B GLU 288 OE1 -278 1 Y 1 B GLU 266 ? OE2 ? B GLU 288 OE2 -279 1 Y 1 B LEU 305 ? CG ? B LEU 327 CG -280 1 Y 1 B LEU 305 ? CD1 ? B LEU 327 CD1 -281 1 Y 1 B LEU 305 ? CD2 ? B LEU 327 CD2 -282 1 Y 1 B LYS 310 ? CG ? B LYS 332 CG -283 1 Y 1 B LYS 310 ? CD ? B LYS 332 CD -284 1 Y 1 B LYS 310 ? CE ? B LYS 332 CE -285 1 Y 1 B LYS 310 ? NZ ? B LYS 332 NZ -286 1 Y 1 B ASP 311 ? CG ? B ASP 333 CG -287 1 Y 1 B ASP 311 ? OD1 ? B ASP 333 OD1 -288 1 Y 1 B ASP 311 ? OD2 ? B ASP 333 OD2 -289 1 Y 1 B LYS 314 ? CG ? B LYS 336 CG -290 1 Y 1 B LYS 314 ? CD ? B LYS 336 CD -291 1 Y 1 B LYS 314 ? CE ? B LYS 336 CE -292 1 Y 1 B LYS 314 ? NZ ? B LYS 336 NZ -293 1 Y 1 B LYS 323 ? CG ? B LYS 345 CG -294 1 Y 1 B LYS 323 ? CD ? B LYS 345 CD -295 1 Y 1 B LYS 323 ? CE ? B LYS 345 CE -296 1 Y 1 B LYS 323 ? NZ ? B LYS 345 NZ -297 1 Y 1 B LEU 331 ? CG ? B LEU 353 CG -298 1 Y 1 B LEU 331 ? CD1 ? B LEU 353 CD1 -299 1 Y 1 B LEU 331 ? CD2 ? B LEU 353 CD2 -300 1 Y 1 B LYS 333 ? CD ? B LYS 355 CD -301 1 Y 1 B LYS 333 ? CE ? B LYS 355 CE -302 1 Y 1 B LYS 333 ? NZ ? B LYS 355 NZ -303 1 Y 1 B LYS 336 ? CG ? B LYS 358 CG -304 1 Y 1 B LYS 336 ? CD ? B LYS 358 CD -305 1 Y 1 B LYS 336 ? CE ? B LYS 358 CE -306 1 Y 1 B LYS 336 ? NZ ? B LYS 358 NZ -307 1 Y 1 B ASN 338 ? CG ? B ASN 360 CG -308 1 Y 1 B ASN 338 ? OD1 ? B ASN 360 OD1 -309 1 Y 1 B ASN 338 ? ND2 ? B ASN 360 ND2 -310 1 Y 1 B GLU 352 ? CG ? B GLU 374 CG -311 1 Y 1 B GLU 352 ? CD ? B GLU 374 CD -312 1 Y 1 B GLU 352 ? OE1 ? B GLU 374 OE1 -313 1 Y 1 B GLU 352 ? OE2 ? B GLU 374 OE2 -# -loop_ -_pdbx_unobs_or_zero_occ_residues.id -_pdbx_unobs_or_zero_occ_residues.PDB_model_num -_pdbx_unobs_or_zero_occ_residues.polymer_flag -_pdbx_unobs_or_zero_occ_residues.occupancy_flag -_pdbx_unobs_or_zero_occ_residues.auth_asym_id -_pdbx_unobs_or_zero_occ_residues.auth_comp_id -_pdbx_unobs_or_zero_occ_residues.auth_seq_id -_pdbx_unobs_or_zero_occ_residues.PDB_ins_code -_pdbx_unobs_or_zero_occ_residues.label_asym_id -_pdbx_unobs_or_zero_occ_residues.label_comp_id -_pdbx_unobs_or_zero_occ_residues.label_seq_id -1 1 Y 1 A MET -21 ? A MET 1 -2 1 Y 1 A HIS -20 ? A HIS 2 -3 1 Y 1 A HIS -19 ? A HIS 3 -4 1 Y 1 A HIS -18 ? A HIS 4 -5 1 Y 1 A HIS -17 ? A HIS 5 -6 1 Y 1 A HIS -16 ? A HIS 6 -7 1 Y 1 A HIS -15 ? A HIS 7 -8 1 Y 1 A SER -14 ? A SER 8 -9 1 Y 1 A SER -13 ? A SER 9 -10 1 Y 1 A GLY -12 ? A GLY 10 -11 1 Y 1 A VAL -11 ? A VAL 11 -12 1 Y 1 A ASP -10 ? A ASP 12 -13 1 Y 1 A LEU -9 ? A LEU 13 -14 1 Y 1 A GLY -8 ? A GLY 14 -15 1 Y 1 A THR -7 ? A THR 15 -16 1 Y 1 A GLU -6 ? A GLU 16 -17 1 Y 1 A ASN -5 ? A ASN 17 -18 1 Y 1 A LEU -4 ? A LEU 18 -19 1 Y 1 A TYR -3 ? A TYR 19 -20 1 Y 1 A PHE -2 ? A PHE 20 -21 1 Y 1 A GLN -1 ? A GLN 21 -22 1 Y 1 A SER 0 ? A SER 22 -23 1 Y 1 A MET 1 ? A MET 23 -24 1 Y 1 A ALA 2 ? A ALA 24 -25 1 Y 1 A SER 3 ? A SER 25 -26 1 Y 1 A GLU 4 ? A GLU 26 -27 1 Y 1 A SER 5 ? A SER 27 -28 1 Y 1 A GLU 6 ? A GLU 28 -29 1 Y 1 A THR 7 ? A THR 29 -30 1 Y 1 A LEU 354 ? A LEU 376 -31 1 Y 1 A LYS 355 ? A LYS 377 -32 1 Y 1 A GLU 356 ? A GLU 378 -33 1 Y 1 A SER 357 ? A SER 379 -34 1 Y 1 A GLU 358 ? A GLU 380 -35 1 Y 1 A LEU 359 ? A LEU 381 -36 1 Y 1 B MET -21 ? B MET 1 -37 1 Y 1 B HIS -20 ? B HIS 2 -38 1 Y 1 B HIS -19 ? B HIS 3 -39 1 Y 1 B HIS -18 ? B HIS 4 -40 1 Y 1 B HIS -17 ? B HIS 5 -41 1 Y 1 B HIS -16 ? B HIS 6 -42 1 Y 1 B HIS -15 ? B HIS 7 -43 1 Y 1 B SER -14 ? B SER 8 -44 1 Y 1 B SER -13 ? B SER 9 -45 1 Y 1 B GLY -12 ? B GLY 10 -46 1 Y 1 B VAL -11 ? B VAL 11 -47 1 Y 1 B ASP -10 ? B ASP 12 -48 1 Y 1 B LEU -9 ? B LEU 13 -49 1 Y 1 B GLY -8 ? B GLY 14 -50 1 Y 1 B THR -7 ? B THR 15 -51 1 Y 1 B GLU -6 ? B GLU 16 -52 1 Y 1 B ASN -5 ? B ASN 17 -53 1 Y 1 B LEU -4 ? B LEU 18 -54 1 Y 1 B TYR -3 ? B TYR 19 -55 1 Y 1 B PHE -2 ? B PHE 20 -56 1 Y 1 B GLN -1 ? B GLN 21 -57 1 Y 1 B SER 0 ? B SER 22 -58 1 Y 1 B MET 1 ? B MET 23 -59 1 Y 1 B ALA 2 ? B ALA 24 -60 1 Y 1 B SER 3 ? B SER 25 -61 1 Y 1 B GLU 4 ? B GLU 26 -62 1 Y 1 B SER 5 ? B SER 27 -63 1 Y 1 B GLU 6 ? B GLU 28 -64 1 Y 1 B THR 7 ? B THR 29 -65 1 Y 1 B LEU 354 ? B LEU 376 -66 1 Y 1 B LYS 355 ? B LYS 377 -67 1 Y 1 B GLU 356 ? B GLU 378 -68 1 Y 1 B SER 357 ? B SER 379 -69 1 Y 1 B GLU 358 ? B GLU 380 -70 1 Y 1 B LEU 359 ? B LEU 381 -# -loop_ -_pdbx_entity_nonpoly.entity_id -_pdbx_entity_nonpoly.name -_pdbx_entity_nonpoly.comp_id -3 'SULFATE ION' SO4 -4 '2-[5-[(4-hydroxyphenyl)carbonylamino]-2-oxidanyl-phenyl]pyridine-4-carboxylic acid' 35M -5 'MANGANESE (II) ION' MN -6 'ZINC ION' ZN -7 1,2-ETHANEDIOL EDO -8 'DIMETHYL SULFOXIDE' DMS -9 water HOH -# diff --git a/tests/test_data/ww/pdb_00006i41/6i41-assembly.cif b/tests/test_data/ww/pdb_00006i41/6i41-assembly.cif deleted file mode 100644 index 332aebb7..00000000 --- a/tests/test_data/ww/pdb_00006i41/6i41-assembly.cif +++ /dev/null @@ -1,8937 +0,0 @@ -data_5A7W -# -_entry.id 5A7W -# -_audit_conform.dict_name mmcif_pdbx.dic -_audit_conform.dict_version 5.287 -_audit_conform.dict_location http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic -# -loop_ -_database_2.database_id -_database_2.database_code -PDB 5A7W -PDBE EBI-64335 -WWPDB D_1290064335 -# -loop_ -_pdbx_database_related.db_name -_pdbx_database_related.db_id -_pdbx_database_related.content_type -_pdbx_database_related.details -PDB 5A7N unspecified 'CRYSTAL STRUCTURE OF HUMAN JMJD2A IN COMPLEX WITH COMPOUND 43' -PDB 5A7O unspecified 'CRYSTAL STRUCTURE OF HUMAN JMJD2A IN COMPLEX WITH COMPOUND 42' -PDB 5A7P unspecified 'CRYSTAL STRUCTURE OF HUMAN JMJD2A IN COMPLEX WITH COMPOUND 36' -PDB 5A7Q unspecified 'CRYSTAL STRUCTURE OF HUMAN JMJD2A IN COMPLEX WITH COMPOUND 30' -PDB 5A7S unspecified 'CRYSTAL STRUCTURE OF HUMAN JMJD2A IN COMPLEX WITH COMPOUND 44' -PDB 5A80 unspecified 'CRYSTAL STRUCTURE OF HUMAN JMJD2A IN COMPLEX WITH COMPOUND 40' -# -_pdbx_database_status.status_code REL -_pdbx_database_status.entry_id 5A7W -_pdbx_database_status.deposit_site PDBE -_pdbx_database_status.process_site PDBE -_pdbx_database_status.SG_entry . -_pdbx_database_status.recvd_initial_deposition_date 2015-07-10 -_pdbx_database_status.pdb_format_compatible Y -_pdbx_database_status.status_code_sf ? -_pdbx_database_status.status_code_mr ? -_pdbx_database_status.status_code_cs ? -_pdbx_database_status.methods_development_category ? -# -loop_ -_audit_author.name -_audit_author.pdbx_ordinal -'Nowak, R.' 1 -'Velupillai, S.' 2 -'Krojer, T.' 3 -'Gileadi, C.' 4 -'Johansson, C.' 5 -'Korczynska, M.' 6 -'Le, D.D.' 7 -'Younger, N.' 8 -'Gregori-Puigjane, E.' 9 -'Tumber, A.' 10 -'Iwasa, E.' 11 -'Pollock, S.B.' 12 -'Ortiz Torres, I.' 13 -'Kopec, J.' 14 -'Tallant, C.' 15 -'Froese, S.' 16 -'von Delft, F.' 17 -'Arrowsmith, C.H.' 18 -'Bountra, C.' 19 -'Edwards, A.' 20 -'Shoichet, B.K.' 21 -'Fujimori, D.G.' 22 -'Oppermann, U.' 23 -# -_citation.id primary -_citation.title 'Docking and Linking of Fragments to Discover Jumonji Histone Demethylase Inhibitors.' -_citation.journal_abbrev J.Med.Chem. -_citation.journal_volume 59 -_citation.page_first 1580 -_citation.page_last ? -_citation.year 2016 -_citation.journal_id_ASTM JMCMAR -_citation.country US -_citation.journal_id_ISSN 0022-2623 -_citation.journal_id_CSD 0151 -_citation.book_publisher ? -_citation.pdbx_database_id_PubMed 26699912 -_citation.pdbx_database_id_DOI 10.1021/ACS.JMEDCHEM.5B01527 -# -loop_ -_citation_author.citation_id -_citation_author.name -_citation_author.ordinal -primary 'Korczynska, M.' 1 -primary 'Le, D.D.' 2 -primary 'Younger, N.' 3 -primary 'Gregori-Puigjane, E.' 4 -primary 'Tumber, A.' 5 -primary 'Krojer, T.' 6 -primary 'Velupillai, S.' 7 -primary 'Gileadi, C.' 8 -primary 'Nowak, R.P.' 9 -primary 'Iwasa, E.' 10 -primary 'Pollock, S.B.' 11 -primary 'Ortiz Torres, I.' 12 -primary 'Oppermann, U.' 13 -primary 'Shoichet, B.K.' 14 -primary 'Fujimori, D.G.' 15 -# -_cell.entry_id 5A7W -_cell.length_a 101.240 -_cell.length_b 149.750 -_cell.length_c 57.340 -_cell.angle_alpha 90.00 -_cell.angle_beta 90.00 -_cell.angle_gamma 90.00 -_cell.Z_PDB 4 -_cell.pdbx_unique_axis ? -# -_symmetry.entry_id 5A7W -_symmetry.space_group_name_H-M 'P 21 21 2' -_symmetry.pdbx_full_space_group_name_H-M ? -_symmetry.cell_setting ? -_symmetry.Int_Tables_number 18 -# -loop_ -_entity.id -_entity.type -_entity.src_method -_entity.pdbx_description -_entity.formula_weight -_entity.pdbx_number_of_molecules -_entity.pdbx_ec -_entity.pdbx_mutation -_entity.pdbx_fragment -_entity.details -1 polymer man 'LYSINE-SPECIFIC DEMETHYLASE 4A' 44326.273 1 1.14.11.- ? -'RESIDUES 1-359' ? -2 polymer man 'LYSINE-SPECIFIC DEMETHYLASE 4A' 44327.258 1 1.14.11.- ? -'RESIDUES 1-359' ? -3 non-polymer syn 'SULFATE ION' 96.063 2 ? ? ? -? -4 non-polymer syn '2-[5-[(4-hydroxyphenyl)carbonylamino]-2-oxidanyl-phenyl]pyridine-4-carboxylic acid' 350.325 2 ? ? ? -? -5 non-polymer syn 'MANGANESE (II) ION' 54.938 2 ? ? ? -? -6 non-polymer syn 'ZINC ION' 65.409 2 ? ? ? -? -7 non-polymer syn 1,2-ETHANEDIOL 62.068 5 ? ? ? -? -8 non-polymer syn 'DIMETHYL SULFOXIDE' 78.133 2 ? ? ? -? -9 water nat water 18.015 75 ? ? ? -? -# -loop_ -_entity_name_com.entity_id -_entity_name_com.name -1 'JMJC DOMAIN-CONTAINING HISTONE DEMETHYLATION PROTEIN 3A, JUMONJI DOMAIN-CONTAINING PROTEIN 2A' -2 'JMJC DOMAIN-CONTAINING HISTONE DEMETHYLATION PROTEIN 3A, JUMONJI DOMAIN-CONTAINING PROTEIN 2A' -# -loop_ -_entity_poly.entity_id -_entity_poly.type -_entity_poly.nstd_linkage -_entity_poly.nstd_monomer -_entity_poly.pdbx_seq_one_letter_code -_entity_poly.pdbx_seq_one_letter_code_can -_entity_poly.pdbx_strand_id -_entity_poly.pdbx_target_identifier -1 'polypeptide(L)' no no -;MHHHHHHSSGVDLGTENLYFQSMASESETLNPSARIMTFYPTMEEFRNFSRYIAYIESQGAHRAGLAKVVPPKEWKPRAS -YDDIDDLVIPAPIQQLVTGQSGLFTQYNIQKKAMTVREFRKIANSDKYCTPRYSEFEELERKYWKNLTFNPPIYGADVNG -TLYEKHVDEWNIGRLRTILDLVEKESGITIEGVNTPYLYFGMWKTSFAWHTEDMDLYSINYLHFGEPKSWYSVPPEHGKR -LERLAKGFFPGSAQSCEAFLRHKMTLISPLMLKKYGIPFDKVTQEAGEFMITFPYGYHAGFNHGFNCAESTNFATRRWIE -YGKQAVLCSCRKDMVKISMDVFVRKFQPERYKLWKAGKDNTVIDHTLPTPEAAEFLKESEL -; -;MHHHHHHSSGVDLGTENLYFQSMASESETLNPSARIMTFYPTMEEFRNFSRYIAYIESQGAHRAGLAKVVPPKEWKPRAS -YDDIDDLVIPAPIQQLVTGQSGLFTQYNIQKKAMTVREFRKIANSDKYCTPRYSEFEELERKYWKNLTFNPPIYGADVNG -TLYEKHVDEWNIGRLRTILDLVEKESGITIEGVNTPYLYFGMWKTSFAWHTEDMDLYSINYLHFGEPKSWYSVPPEHGKR -LERLAKGFFPGSAQSCEAFLRHKMTLISPLMLKKYGIPFDKVTQEAGEFMITFPYGYHAGFNHGFNCAESTNFATRRWIE -YGKQAVLCSCRKDMVKISMDVFVRKFQPERYKLWKAGKDNTVIDHTLPTPEAAEFLKESEL -; -A ? -2 'polypeptide(L)' no no -;MHHHHHHSSGVDLGTENLYFQSMASESETLNPSARIMTFYPTMEEFRNFSRYIAYIESQGAHRAGLAKVVPPKEWKPRAS -YDDIDDLVIPAPIQQLVTGQSGLFTQYNIQKKAMTVREFRKIANSDKYCTPRYSEFEELERKYWKNLTFNPPIYGADVNG -TLYEKHVDEWNIGRLRTILDLVEKESGITIEGVNTPYLYFGMWKTSFAWHTEDMDLYSINYLHFGEPKSWYSVPPEHGKR -LERLAKGFFPGSAESCEAFLRHKMTLISPLMLKKYGIPFDKVTQEAGEFMITFPYGYHAGFNHGFNCAESTNFATRRWIE -YGKQAVLCSCRKDMVKISMDVFVRKFQPERYKLWKAGKDNTVIDHTLPTPEAAEFLKESEL -; -;MHHHHHHSSGVDLGTENLYFQSMASESETLNPSARIMTFYPTMEEFRNFSRYIAYIESQGAHRAGLAKVVPPKEWKPRAS -YDDIDDLVIPAPIQQLVTGQSGLFTQYNIQKKAMTVREFRKIANSDKYCTPRYSEFEELERKYWKNLTFNPPIYGADVNG -TLYEKHVDEWNIGRLRTILDLVEKESGITIEGVNTPYLYFGMWKTSFAWHTEDMDLYSINYLHFGEPKSWYSVPPEHGKR -LERLAKGFFPGSAESCEAFLRHKMTLISPLMLKKYGIPFDKVTQEAGEFMITFPYGYHAGFNHGFNCAESTNFATRRWIE -YGKQAVLCSCRKDMVKISMDVFVRKFQPERYKLWKAGKDNTVIDHTLPTPEAAEFLKESEL -; -B ? -# -loop_ -_entity_poly_seq.entity_id -_entity_poly_seq.num -_entity_poly_seq.mon_id -_entity_poly_seq.hetero -1 1 MET n -1 2 HIS n -1 3 HIS n -1 4 HIS n -1 5 HIS n -1 6 HIS n -1 7 HIS n -1 8 SER n -1 9 SER n -1 10 GLY n -1 11 VAL n -1 12 ASP n -1 13 LEU n -1 14 GLY n -1 15 THR n -1 16 GLU n -1 17 ASN n -1 18 LEU n -1 19 TYR n -1 20 PHE n -1 21 GLN n -1 22 SER n -1 23 MET n -1 24 ALA n -1 25 SER n -1 26 GLU n -1 27 SER n -1 28 GLU n -1 29 THR n -1 30 LEU n -1 31 ASN n -1 32 PRO n -1 33 SER n -1 34 ALA n -1 35 ARG n -1 36 ILE n -1 37 MET n -1 38 THR n -1 39 PHE n -1 40 TYR n -1 41 PRO n -1 42 THR n -1 43 MET n -1 44 GLU n -1 45 GLU n -1 46 PHE n -1 47 ARG n -1 48 ASN n -1 49 PHE n -1 50 SER n -1 51 ARG n -1 52 TYR n -1 53 ILE n -1 54 ALA n -1 55 TYR n -1 56 ILE n -1 57 GLU n -1 58 SER n -1 59 GLN n -1 60 GLY n -1 61 ALA n -1 62 HIS n -1 63 ARG n -1 64 ALA n -1 65 GLY n -1 66 LEU n -1 67 ALA n -1 68 LYS n -1 69 VAL n -1 70 VAL n -1 71 PRO n -1 72 PRO n -1 73 LYS n -1 74 GLU n -1 75 TRP n -1 76 LYS n -1 77 PRO n -1 78 ARG n -1 79 ALA n -1 80 SER n -1 81 TYR n -1 82 ASP n -1 83 ASP n -1 84 ILE n -1 85 ASP n -1 86 ASP n -1 87 LEU n -1 88 VAL n -1 89 ILE n -1 90 PRO n -1 91 ALA n -1 92 PRO n -1 93 ILE n -1 94 GLN n -1 95 GLN n -1 96 LEU n -1 97 VAL n -1 98 THR n -1 99 GLY n -1 100 GLN n -1 101 SER n -1 102 GLY n -1 103 LEU n -1 104 PHE n -1 105 THR n -1 106 GLN n -1 107 TYR n -1 108 ASN n -1 109 ILE n -1 110 GLN n -1 111 LYS n -1 112 LYS n -1 113 ALA n -1 114 MET n -1 115 THR n -1 116 VAL n -1 117 ARG n -1 118 GLU n -1 119 PHE n -1 120 ARG n -1 121 LYS n -1 122 ILE n -1 123 ALA n -1 124 ASN n -1 125 SER n -1 126 ASP n -1 127 LYS n -1 128 TYR n -1 129 CYS n -1 130 THR n -1 131 PRO n -1 132 ARG n -1 133 TYR n -1 134 SER n -1 135 GLU n -1 136 PHE n -1 137 GLU n -1 138 GLU n -1 139 LEU n -1 140 GLU n -1 141 ARG n -1 142 LYS n -1 143 TYR n -1 144 TRP n -1 145 LYS n -1 146 ASN n -1 147 LEU n -1 148 THR n -1 149 PHE n -1 150 ASN n -1 151 PRO n -1 152 PRO n -1 153 ILE n -1 154 TYR n -1 155 GLY n -1 156 ALA n -1 157 ASP n -1 158 VAL n -1 159 ASN n -1 160 GLY n -1 161 THR n -1 162 LEU n -1 163 TYR n -1 164 GLU n -1 165 LYS n -1 166 HIS n -1 167 VAL n -1 168 ASP n -1 169 GLU n -1 170 TRP n -1 171 ASN n -1 172 ILE n -1 173 GLY n -1 174 ARG n -1 175 LEU n -1 176 ARG n -1 177 THR n -1 178 ILE n -1 179 LEU n -1 180 ASP n -1 181 LEU n -1 182 VAL n -1 183 GLU n -1 184 LYS n -1 185 GLU n -1 186 SER n -1 187 GLY n -1 188 ILE n -1 189 THR n -1 190 ILE n -1 191 GLU n -1 192 GLY n -1 193 VAL n -1 194 ASN n -1 195 THR n -1 196 PRO n -1 197 TYR n -1 198 LEU n -1 199 TYR n -1 200 PHE n -1 201 GLY n -1 202 MET n -1 203 TRP n -1 204 LYS n -1 205 THR n -1 206 SER n -1 207 PHE n -1 208 ALA n -1 209 TRP n -1 210 HIS n -1 211 THR n -1 212 GLU n -1 213 ASP n -1 214 MET n -1 215 ASP n -1 216 LEU n -1 217 TYR n -1 218 SER n -1 219 ILE n -1 220 ASN n -1 221 TYR n -1 222 LEU n -1 223 HIS n -1 224 PHE n -1 225 GLY n -1 226 GLU n -1 227 PRO n -1 228 LYS n -1 229 SER n -1 230 TRP n -1 231 TYR n -1 232 SER n -1 233 VAL n -1 234 PRO n -1 235 PRO n -1 236 GLU n -1 237 HIS n -1 238 GLY n -1 239 LYS n -1 240 ARG n -1 241 LEU n -1 242 GLU n -1 243 ARG n -1 244 LEU n -1 245 ALA n -1 246 LYS n -1 247 GLY n -1 248 PHE n -1 249 PHE n -1 250 PRO n -1 251 GLY n -1 252 SER n -1 253 ALA n -1 254 GLN n -1 255 SER n -1 256 CYS n -1 257 GLU n -1 258 ALA n -1 259 PHE n -1 260 LEU n -1 261 ARG n -1 262 HIS n -1 263 LYS n -1 264 MET n -1 265 THR n -1 266 LEU n -1 267 ILE n -1 268 SER n -1 269 PRO n -1 270 LEU n -1 271 MET n -1 272 LEU n -1 273 LYS n -1 274 LYS n -1 275 TYR n -1 276 GLY n -1 277 ILE n -1 278 PRO n -1 279 PHE n -1 280 ASP n -1 281 LYS n -1 282 VAL n -1 283 THR n -1 284 GLN n -1 285 GLU n -1 286 ALA n -1 287 GLY n -1 288 GLU n -1 289 PHE n -1 290 MET n -1 291 ILE n -1 292 THR n -1 293 PHE n -1 294 PRO n -1 295 TYR n -1 296 GLY n -1 297 TYR n -1 298 HIS n -1 299 ALA n -1 300 GLY n -1 301 PHE n -1 302 ASN n -1 303 HIS n -1 304 GLY n -1 305 PHE n -1 306 ASN n -1 307 CYS n -1 308 ALA n -1 309 GLU n -1 310 SER n -1 311 THR n -1 312 ASN n -1 313 PHE n -1 314 ALA n -1 315 THR n -1 316 ARG n -1 317 ARG n -1 318 TRP n -1 319 ILE n -1 320 GLU n -1 321 TYR n -1 322 GLY n -1 323 LYS n -1 324 GLN n -1 325 ALA n -1 326 VAL n -1 327 LEU n -1 328 CYS n -1 329 SER n -1 330 CYS n -1 331 ARG n -1 332 LYS n -1 333 ASP n -1 334 MET n -1 335 VAL n -1 336 LYS n -1 337 ILE n -1 338 SER n -1 339 MET n -1 340 ASP n -1 341 VAL n -1 342 PHE n -1 343 VAL n -1 344 ARG n -1 345 LYS n -1 346 PHE n -1 347 GLN n -1 348 PRO n -1 349 GLU n -1 350 ARG n -1 351 TYR n -1 352 LYS n -1 353 LEU n -1 354 TRP n -1 355 LYS n -1 356 ALA n -1 357 GLY n -1 358 LYS n -1 359 ASP n -1 360 ASN n -1 361 THR n -1 362 VAL n -1 363 ILE n -1 364 ASP n -1 365 HIS n -1 366 THR n -1 367 LEU n -1 368 PRO n -1 369 THR n -1 370 PRO n -1 371 GLU n -1 372 ALA n -1 373 ALA n -1 374 GLU n -1 375 PHE n -1 376 LEU n -1 377 LYS n -1 378 GLU n -1 379 SER n -1 380 GLU n -1 381 LEU n -2 1 MET n -2 2 HIS n -2 3 HIS n -2 4 HIS n -2 5 HIS n -2 6 HIS n -2 7 HIS n -2 8 SER n -2 9 SER n -2 10 GLY n -2 11 VAL n -2 12 ASP n -2 13 LEU n -2 14 GLY n -2 15 THR n -2 16 GLU n -2 17 ASN n -2 18 LEU n -2 19 TYR n -2 20 PHE n -2 21 GLN n -2 22 SER n -2 23 MET n -2 24 ALA n -2 25 SER n -2 26 GLU n -2 27 SER n -2 28 GLU n -2 29 THR n -2 30 LEU n -2 31 ASN n -2 32 PRO n -2 33 SER n -2 34 ALA n -2 35 ARG n -2 36 ILE n -2 37 MET n -2 38 THR n -2 39 PHE n -2 40 TYR n -2 41 PRO n -2 42 THR n -2 43 MET n -2 44 GLU n -2 45 GLU n -2 46 PHE n -2 47 ARG n -2 48 ASN n -2 49 PHE n -2 50 SER n -2 51 ARG n -2 52 TYR n -2 53 ILE n -2 54 ALA n -2 55 TYR n -2 56 ILE n -2 57 GLU n -2 58 SER n -2 59 GLN n -2 60 GLY n -2 61 ALA n -2 62 HIS n -2 63 ARG n -2 64 ALA n -2 65 GLY n -2 66 LEU n -2 67 ALA n -2 68 LYS n -2 69 VAL n -2 70 VAL n -2 71 PRO n -2 72 PRO n -2 73 LYS n -2 74 GLU n -2 75 TRP n -2 76 LYS n -2 77 PRO n -2 78 ARG n -2 79 ALA n -2 80 SER n -2 81 TYR n -2 82 ASP n -2 83 ASP n -2 84 ILE n -2 85 ASP n -2 86 ASP n -2 87 LEU n -2 88 VAL n -2 89 ILE n -2 90 PRO n -2 91 ALA n -2 92 PRO n -2 93 ILE n -2 94 GLN n -2 95 GLN n -2 96 LEU n -2 97 VAL n -2 98 THR n -2 99 GLY n -2 100 GLN n -2 101 SER n -2 102 GLY n -2 103 LEU n -2 104 PHE n -2 105 THR n -2 106 GLN n -2 107 TYR n -2 108 ASN n -2 109 ILE n -2 110 GLN n -2 111 LYS n -2 112 LYS n -2 113 ALA n -2 114 MET n -2 115 THR n -2 116 VAL n -2 117 ARG n -2 118 GLU n -2 119 PHE n -2 120 ARG n -2 121 LYS n -2 122 ILE n -2 123 ALA n -2 124 ASN n -2 125 SER n -2 126 ASP n -2 127 LYS n -2 128 TYR n -2 129 CYS n -2 130 THR n -2 131 PRO n -2 132 ARG n -2 133 TYR n -2 134 SER n -2 135 GLU n -2 136 PHE n -2 137 GLU n -2 138 GLU n -2 139 LEU n -2 140 GLU n -2 141 ARG n -2 142 LYS n -2 143 TYR n -2 144 TRP n -2 145 LYS n -2 146 ASN n -2 147 LEU n -2 148 THR n -2 149 PHE n -2 150 ASN n -2 151 PRO n -2 152 PRO n -2 153 ILE n -2 154 TYR n -2 155 GLY n -2 156 ALA n -2 157 ASP n -2 158 VAL n -2 159 ASN n -2 160 GLY n -2 161 THR n -2 162 LEU n -2 163 TYR n -2 164 GLU n -2 165 LYS n -2 166 HIS n -2 167 VAL n -2 168 ASP n -2 169 GLU n -2 170 TRP n -2 171 ASN n -2 172 ILE n -2 173 GLY n -2 174 ARG n -2 175 LEU n -2 176 ARG n -2 177 THR n -2 178 ILE n -2 179 LEU n -2 180 ASP n -2 181 LEU n -2 182 VAL n -2 183 GLU n -2 184 LYS n -2 185 GLU n -2 186 SER n -2 187 GLY n -2 188 ILE n -2 189 THR n -2 190 ILE n -2 191 GLU n -2 192 GLY n -2 193 VAL n -2 194 ASN n -2 195 THR n -2 196 PRO n -2 197 TYR n -2 198 LEU n -2 199 TYR n -2 200 PHE n -2 201 GLY n -2 202 MET n -2 203 TRP n -2 204 LYS n -2 205 THR n -2 206 SER n -2 207 PHE n -2 208 ALA n -2 209 TRP n -2 210 HIS n -2 211 THR n -2 212 GLU n -2 213 ASP n -2 214 MET n -2 215 ASP n -2 216 LEU n -2 217 TYR n -2 218 SER n -2 219 ILE n -2 220 ASN n -2 221 TYR n -2 222 LEU n -2 223 HIS n -2 224 PHE n -2 225 GLY n -2 226 GLU n -2 227 PRO n -2 228 LYS n -2 229 SER n -2 230 TRP n -2 231 TYR n -2 232 SER n -2 233 VAL n -2 234 PRO n -2 235 PRO n -2 236 GLU n -2 237 HIS n -2 238 GLY n -2 239 LYS n -2 240 ARG n -2 241 LEU n -2 242 GLU n -2 243 ARG n -2 244 LEU n -2 245 ALA n -2 246 LYS n -2 247 GLY n -2 248 PHE n -2 249 PHE n -2 250 PRO n -2 251 GLY n -2 252 SER n -2 253 ALA n -2 254 GLU n -2 255 SER n -2 256 CYS n -2 257 GLU n -2 258 ALA n -2 259 PHE n -2 260 LEU n -2 261 ARG n -2 262 HIS n -2 263 LYS n -2 264 MET n -2 265 THR n -2 266 LEU n -2 267 ILE n -2 268 SER n -2 269 PRO n -2 270 LEU n -2 271 MET n -2 272 LEU n -2 273 LYS n -2 274 LYS n -2 275 TYR n -2 276 GLY n -2 277 ILE n -2 278 PRO n -2 279 PHE n -2 280 ASP n -2 281 LYS n -2 282 VAL n -2 283 THR n -2 284 GLN n -2 285 GLU n -2 286 ALA n -2 287 GLY n -2 288 GLU n -2 289 PHE n -2 290 MET n -2 291 ILE n -2 292 THR n -2 293 PHE n -2 294 PRO n -2 295 TYR n -2 296 GLY n -2 297 TYR n -2 298 HIS n -2 299 ALA n -2 300 GLY n -2 301 PHE n -2 302 ASN n -2 303 HIS n -2 304 GLY n -2 305 PHE n -2 306 ASN n -2 307 CYS n -2 308 ALA n -2 309 GLU n -2 310 SER n -2 311 THR n -2 312 ASN n -2 313 PHE n -2 314 ALA n -2 315 THR n -2 316 ARG n -2 317 ARG n -2 318 TRP n -2 319 ILE n -2 320 GLU n -2 321 TYR n -2 322 GLY n -2 323 LYS n -2 324 GLN n -2 325 ALA n -2 326 VAL n -2 327 LEU n -2 328 CYS n -2 329 SER n -2 330 CYS n -2 331 ARG n -2 332 LYS n -2 333 ASP n -2 334 MET n -2 335 VAL n -2 336 LYS n -2 337 ILE n -2 338 SER n -2 339 MET n -2 340 ASP n -2 341 VAL n -2 342 PHE n -2 343 VAL n -2 344 ARG n -2 345 LYS n -2 346 PHE n -2 347 GLN n -2 348 PRO n -2 349 GLU n -2 350 ARG n -2 351 TYR n -2 352 LYS n -2 353 LEU n -2 354 TRP n -2 355 LYS n -2 356 ALA n -2 357 GLY n -2 358 LYS n -2 359 ASP n -2 360 ASN n -2 361 THR n -2 362 VAL n -2 363 ILE n -2 364 ASP n -2 365 HIS n -2 366 THR n -2 367 LEU n -2 368 PRO n -2 369 THR n -2 370 PRO n -2 371 GLU n -2 372 ALA n -2 373 ALA n -2 374 GLU n -2 375 PHE n -2 376 LEU n -2 377 LYS n -2 378 GLU n -2 379 SER n -2 380 GLU n -2 381 LEU n -# -loop_ -_entity_src_gen.entity_id -_entity_src_gen.pdbx_src_id -_entity_src_gen.pdbx_alt_source_flag -_entity_src_gen.pdbx_seq_type -_entity_src_gen.pdbx_beg_seq_num -_entity_src_gen.pdbx_end_seq_num -_entity_src_gen.gene_src_common_name -_entity_src_gen.gene_src_genus -_entity_src_gen.pdbx_gene_src_gene -_entity_src_gen.gene_src_species -_entity_src_gen.gene_src_strain -_entity_src_gen.gene_src_tissue -_entity_src_gen.gene_src_tissue_fraction -_entity_src_gen.gene_src_details -_entity_src_gen.pdbx_gene_src_fragment -_entity_src_gen.pdbx_gene_src_scientific_name -_entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id -_entity_src_gen.pdbx_gene_src_variant -_entity_src_gen.pdbx_gene_src_cell_line -_entity_src_gen.pdbx_gene_src_atcc -_entity_src_gen.pdbx_gene_src_organ -_entity_src_gen.pdbx_gene_src_organelle -_entity_src_gen.pdbx_gene_src_cell -_entity_src_gen.pdbx_gene_src_cellular_location -_entity_src_gen.host_org_common_name -_entity_src_gen.pdbx_host_org_scientific_name -_entity_src_gen.pdbx_host_org_ncbi_taxonomy_id -_entity_src_gen.host_org_genus -_entity_src_gen.pdbx_host_org_gene -_entity_src_gen.pdbx_host_org_organ -_entity_src_gen.host_org_species -_entity_src_gen.pdbx_host_org_tissue -_entity_src_gen.pdbx_host_org_tissue_fraction -_entity_src_gen.pdbx_host_org_strain -_entity_src_gen.pdbx_host_org_variant -_entity_src_gen.pdbx_host_org_cell_line -_entity_src_gen.pdbx_host_org_atcc -_entity_src_gen.pdbx_host_org_culture_collection -_entity_src_gen.pdbx_host_org_cell -_entity_src_gen.pdbx_host_org_organelle -_entity_src_gen.pdbx_host_org_cellular_location -_entity_src_gen.pdbx_host_org_vector_type -_entity_src_gen.pdbx_host_org_vector -_entity_src_gen.host_org_details -_entity_src_gen.expression_system_id -_entity_src_gen.plasmid_name -_entity_src_gen.plasmid_details -_entity_src_gen.pdbx_description -1 1 sample ? ? ? HUMAN ? ? ? ? ? ? ? ? 'HOMO SAPIENS' 9606 ? ? ? ? ? ? ? ? 'ESCHERICHIA COLI' 469008 ? ? ? ? ? ? 'BL21(DE3)' ? ? ? -? ? ? ? ? ? ? ? PNIC28-BSA4 ? ? -2 1 sample ? ? ? HUMAN ? ? ? ? ? ? ? ? 'HOMO SAPIENS' 9606 ? ? ? ? ? ? ? ? 'ESCHERICHIA COLI' 469008 ? ? ? ? ? ? 'BL21(DE3)' ? ? ? -? ? ? ? ? ? ? ? PNIC28-BSA4 ? ? -# -loop_ -_struct_ref.id -_struct_ref.db_name -_struct_ref.db_code -_struct_ref.entity_id -_struct_ref.pdbx_seq_one_letter_code -_struct_ref.pdbx_align_begin -_struct_ref.pdbx_db_accession -_struct_ref.pdbx_db_isoform -1 UNP KDM4A_HUMAN 1 ? ? O75164 ? -2 UNP KDM4A_HUMAN 2 ? ? O75164 ? -# -loop_ -_struct_ref_seq.align_id -_struct_ref_seq.ref_id -_struct_ref_seq.pdbx_PDB_id_code -_struct_ref_seq.pdbx_strand_id -_struct_ref_seq.seq_align_beg -_struct_ref_seq.pdbx_seq_align_beg_ins_code -_struct_ref_seq.seq_align_end -_struct_ref_seq.pdbx_seq_align_end_ins_code -_struct_ref_seq.pdbx_db_accession -_struct_ref_seq.db_align_beg -_struct_ref_seq.pdbx_db_align_beg_ins_code -_struct_ref_seq.db_align_end -_struct_ref_seq.pdbx_db_align_end_ins_code -_struct_ref_seq.pdbx_auth_seq_align_beg -_struct_ref_seq.pdbx_auth_seq_align_end -1 1 5A7W A 23 ? 381 ? O75164 1 ? 359 ? 1 359 -2 2 5A7W B 23 ? 381 ? O75164 1 ? 359 ? 1 359 -# -loop_ -_struct_ref_seq_dif.align_id -_struct_ref_seq_dif.pdbx_pdb_id_code -_struct_ref_seq_dif.mon_id -_struct_ref_seq_dif.pdbx_pdb_strand_id -_struct_ref_seq_dif.seq_num -_struct_ref_seq_dif.pdbx_pdb_ins_code -_struct_ref_seq_dif.pdbx_seq_db_name -_struct_ref_seq_dif.pdbx_seq_db_accession_code -_struct_ref_seq_dif.db_mon_id -_struct_ref_seq_dif.pdbx_seq_db_seq_num -_struct_ref_seq_dif.details -_struct_ref_seq_dif.pdbx_auth_seq_num -_struct_ref_seq_dif.pdbx_ordinal -1 5A7W MET A 1 ? UNP O75164 ? ? 'expression tag' -21 1 -1 5A7W HIS A 2 ? UNP O75164 ? ? 'expression tag' -20 2 -1 5A7W HIS A 3 ? UNP O75164 ? ? 'expression tag' -19 3 -1 5A7W HIS A 4 ? UNP O75164 ? ? 'expression tag' -18 4 -1 5A7W HIS A 5 ? UNP O75164 ? ? 'expression tag' -17 5 -1 5A7W HIS A 6 ? UNP O75164 ? ? 'expression tag' -16 6 -1 5A7W HIS A 7 ? UNP O75164 ? ? 'expression tag' -15 7 -1 5A7W SER A 8 ? UNP O75164 ? ? 'expression tag' -14 8 -1 5A7W SER A 9 ? UNP O75164 ? ? 'expression tag' -13 9 -1 5A7W GLY A 10 ? UNP O75164 ? ? 'expression tag' -12 10 -1 5A7W VAL A 11 ? UNP O75164 ? ? 'expression tag' -11 11 -1 5A7W ASP A 12 ? UNP O75164 ? ? 'expression tag' -10 12 -1 5A7W LEU A 13 ? UNP O75164 ? ? 'expression tag' -9 13 -1 5A7W GLY A 14 ? UNP O75164 ? ? 'expression tag' -8 14 -1 5A7W THR A 15 ? UNP O75164 ? ? 'expression tag' -7 15 -1 5A7W GLU A 16 ? UNP O75164 ? ? 'expression tag' -6 16 -1 5A7W ASN A 17 ? UNP O75164 ? ? 'expression tag' -5 17 -1 5A7W LEU A 18 ? UNP O75164 ? ? 'expression tag' -4 18 -1 5A7W TYR A 19 ? UNP O75164 ? ? 'expression tag' -3 19 -1 5A7W PHE A 20 ? UNP O75164 ? ? 'expression tag' -2 20 -1 5A7W GLN A 21 ? UNP O75164 ? ? 'expression tag' -1 21 -1 5A7W SER A 22 ? UNP O75164 ? ? 'expression tag' 0 22 -2 5A7W MET B 1 ? UNP O75164 ? ? 'expression tag' -21 23 -2 5A7W HIS B 2 ? UNP O75164 ? ? 'expression tag' -20 24 -2 5A7W HIS B 3 ? UNP O75164 ? ? 'expression tag' -19 25 -2 5A7W HIS B 4 ? UNP O75164 ? ? 'expression tag' -18 26 -2 5A7W HIS B 5 ? UNP O75164 ? ? 'expression tag' -17 27 -2 5A7W HIS B 6 ? UNP O75164 ? ? 'expression tag' -16 28 -2 5A7W HIS B 7 ? UNP O75164 ? ? 'expression tag' -15 29 -2 5A7W SER B 8 ? UNP O75164 ? ? 'expression tag' -14 30 -2 5A7W SER B 9 ? UNP O75164 ? ? 'expression tag' -13 31 -2 5A7W GLY B 10 ? UNP O75164 ? ? 'expression tag' -12 32 -2 5A7W VAL B 11 ? UNP O75164 ? ? 'expression tag' -11 33 -2 5A7W ASP B 12 ? UNP O75164 ? ? 'expression tag' -10 34 -2 5A7W LEU B 13 ? UNP O75164 ? ? 'expression tag' -9 35 -2 5A7W GLY B 14 ? UNP O75164 ? ? 'expression tag' -8 36 -2 5A7W THR B 15 ? UNP O75164 ? ? 'expression tag' -7 37 -2 5A7W GLU B 16 ? UNP O75164 ? ? 'expression tag' -6 38 -2 5A7W ASN B 17 ? UNP O75164 ? ? 'expression tag' -5 39 -2 5A7W LEU B 18 ? UNP O75164 ? ? 'expression tag' -4 40 -2 5A7W TYR B 19 ? UNP O75164 ? ? 'expression tag' -3 41 -2 5A7W PHE B 20 ? UNP O75164 ? ? 'expression tag' -2 42 -2 5A7W GLN B 21 ? UNP O75164 ? ? 'expression tag' -1 43 -2 5A7W SER B 22 ? UNP O75164 ? ? 'expression tag' 0 44 -2 5A7W GLU B 254 ? UNP O75164 GLN 232 conflict 232 45 -# -loop_ -_chem_comp.id -_chem_comp.type -_chem_comp.mon_nstd_flag -_chem_comp.name -_chem_comp.pdbx_synonyms -_chem_comp.formula -_chem_comp.formula_weight -35M non-polymer . '2-[5-[(4-hydroxyphenyl)carbonylamino]-2-oxidanyl-phenyl]pyridine-4-carboxylic acid' ? -'C19 H14 N2 O5' 350.325 -ALA 'L-peptide linking' y ALANINE ? -'C3 H7 N O2' 89.093 -ARG 'L-peptide linking' y ARGININE ? -'C6 H15 N4 O2 1' 175.209 -ASN 'L-peptide linking' y ASPARAGINE ? -'C4 H8 N2 O3' 132.118 -ASP 'L-peptide linking' y 'ASPARTIC ACID' ? -'C4 H7 N O4' 133.103 -CYS 'L-peptide linking' y CYSTEINE ? -'C3 H7 N O2 S' 121.158 -DMS non-polymer . 'DIMETHYL SULFOXIDE' ? -'C2 H6 O S' 78.133 -EDO non-polymer . 1,2-ETHANEDIOL 'ETHYLENE GLYCOL' -'C2 H6 O2' 62.068 -GLN 'L-peptide linking' y GLUTAMINE ? -'C5 H10 N2 O3' 146.144 -GLU 'L-peptide linking' y 'GLUTAMIC ACID' ? -'C5 H9 N O4' 147.129 -GLY 'peptide linking' y GLYCINE ? -'C2 H5 N O2' 75.067 -HIS 'L-peptide linking' y HISTIDINE ? -'C6 H10 N3 O2 1' 156.162 -HOH non-polymer . WATER ? -'H2 O' 18.015 -ILE 'L-peptide linking' y ISOLEUCINE ? -'C6 H13 N O2' 131.173 -LEU 'L-peptide linking' y LEUCINE ? -'C6 H13 N O2' 131.173 -LYS 'L-peptide linking' y LYSINE ? -'C6 H15 N2 O2 1' 147.195 -MET 'L-peptide linking' y METHIONINE ? -'C5 H11 N O2 S' 149.211 -MN non-polymer . 'MANGANESE (II) ION' ? -'Mn 2' 54.938 -PHE 'L-peptide linking' y PHENYLALANINE ? -'C9 H11 N O2' 165.189 -PRO 'L-peptide linking' y PROLINE ? -'C5 H9 N O2' 115.130 -SER 'L-peptide linking' y SERINE ? -'C3 H7 N O3' 105.093 -SO4 non-polymer . 'SULFATE ION' ? -'O4 S -2' 96.063 -THR 'L-peptide linking' y THREONINE ? -'C4 H9 N O3' 119.119 -TRP 'L-peptide linking' y TRYPTOPHAN ? -'C11 H12 N2 O2' 204.225 -TYR 'L-peptide linking' y TYROSINE ? -'C9 H11 N O3' 181.189 -VAL 'L-peptide linking' y VALINE ? -'C5 H11 N O2' 117.146 -ZN non-polymer . 'ZINC ION' ? -'Zn 2' 65.409 -# -_exptl.entry_id 5A7W -_exptl.method 'X-RAY DIFFRACTION' -_exptl.crystals_number 1 -# -_exptl_crystal.id 1 -_exptl_crystal.density_meas ? -_exptl_crystal.density_Matthews 2.69 -_exptl_crystal.density_percent_sol 54.37 -_exptl_crystal.description NONE -_exptl_crystal.preparation ? -# -_exptl_crystal_grow.crystal_id 1 -_exptl_crystal_grow.method ? -_exptl_crystal_grow.temp ? -_exptl_crystal_grow.temp_details ? -_exptl_crystal_grow.pH 6.0 -_exptl_crystal_grow.pdbx_pH_range ? -_exptl_crystal_grow.pdbx_details '30% PEG3350 -- 0.1M BIS-TRIS PH 6.0 -- 0.25M AMMONIUM SULFATE' -# -_diffrn.id 1 -_diffrn.ambient_temp 100 -_diffrn.ambient_temp_details ? -_diffrn.crystal_id 1 -# -_diffrn_detector.diffrn_id 1 -_diffrn_detector.detector PIXEL -_diffrn_detector.type 'DECTRIS PILATUS 6M' -_diffrn_detector.pdbx_collection_date 2014-02-19 -_diffrn_detector.details ? -# -_diffrn_radiation.diffrn_id 1 -_diffrn_radiation.wavelength_id 1 -_diffrn_radiation.pdbx_monochromatic_or_laue_m_l M -_diffrn_radiation.monochromator ? -_diffrn_radiation.pdbx_diffrn_protocol 'SINGLE WAVELENGTH' -_diffrn_radiation.pdbx_scattering_type x-ray -# -_diffrn_radiation_wavelength.id 1 -_diffrn_radiation_wavelength.wavelength 0.97949 -_diffrn_radiation_wavelength.wt 1.0 -# -_diffrn_source.diffrn_id 1 -_diffrn_source.source SYNCHROTRON -_diffrn_source.type 'DIAMOND BEAMLINE I02' -_diffrn_source.pdbx_synchrotron_site Diamond -_diffrn_source.pdbx_synchrotron_beamline I02 -_diffrn_source.pdbx_wavelength 0.97949 -_diffrn_source.pdbx_wavelength_list ? -# -_reflns.pdbx_diffrn_id 1 -_reflns.pdbx_ordinal 1 -_reflns.entry_id 5A7W -_reflns.observed_criterion_sigma_I 2.0 -_reflns.observed_criterion_sigma_F ? -_reflns.d_resolution_low 49.92 -_reflns.d_resolution_high 2.27 -_reflns.number_obs 40875 -_reflns.number_all ? -_reflns.percent_possible_obs 99.4 -_reflns.pdbx_Rmerge_I_obs 0.10 -_reflns.pdbx_Rsym_value ? -_reflns.pdbx_netI_over_sigmaI 9.50 -_reflns.B_iso_Wilson_estimate ? -_reflns.pdbx_redundancy 4.7 -# -_reflns_shell.pdbx_diffrn_id 1 -_reflns_shell.pdbx_ordinal 1 -_reflns_shell.d_res_high 2.27 -_reflns_shell.d_res_low 2.33 -_reflns_shell.percent_possible_all 99.6 -_reflns_shell.Rmerge_I_obs 0.89 -_reflns_shell.pdbx_Rsym_value ? -_reflns_shell.meanI_over_sigI_obs 1.90 -_reflns_shell.pdbx_redundancy 4.9 -# -_refine.pdbx_refine_id 'X-RAY DIFFRACTION' -_refine.entry_id 5A7W -_refine.pdbx_diffrn_id 1 -_refine.pdbx_TLS_residual_ADP_flag ? -_refine.ls_number_reflns_obs 40805 -_refine.ls_number_reflns_all ? -_refine.pdbx_ls_sigma_I ? -_refine.pdbx_ls_sigma_F 2 -_refine.pdbx_data_cutoff_high_absF ? -_refine.pdbx_data_cutoff_low_absF ? -_refine.pdbx_data_cutoff_high_rms_absF ? -_refine.ls_d_res_low 49.893 -_refine.ls_d_res_high 2.27 -_refine.ls_percent_reflns_obs 0.992199 -_refine.ls_R_factor_obs 0.2270 -_refine.ls_R_factor_all ? -_refine.ls_R_factor_R_work 0.2249 -_refine.ls_R_factor_R_free 0.2728 -_refine.ls_R_factor_R_free_error ? -_refine.ls_R_factor_R_free_error_details ? -_refine.ls_percent_reflns_R_free 4.2 -_refine.ls_number_reflns_R_free 1724 -_refine.ls_number_parameters ? -_refine.ls_number_restraints ? -_refine.occupancy_min ? -_refine.occupancy_max ? -_refine.correlation_coeff_Fo_to_Fc ? -_refine.correlation_coeff_Fo_to_Fc_free ? -_refine.B_iso_mean ? -_refine.aniso_B[1][1] ? -_refine.aniso_B[2][2] ? -_refine.aniso_B[3][3] ? -_refine.aniso_B[1][2] ? -_refine.aniso_B[1][3] ? -_refine.aniso_B[2][3] ? -_refine.solvent_model_details ? -_refine.solvent_model_param_ksol ? -_refine.solvent_model_param_bsol ? -_refine.pdbx_solvent_vdw_probe_radii 2 -_refine.pdbx_solvent_ion_probe_radii ? -_refine.pdbx_solvent_shrinkage_radii 2 -_refine.pdbx_ls_cross_valid_method ? -_refine.details -'DUAL CONFORMATION MODELED FOR SOME RESIDUES. SOME SIDE CHAINS ARE MISSING. DISORDERED REGIONS HAVE HIGH B FACTORS.' -_refine.pdbx_starting_model 4URA -_refine.pdbx_method_to_determine_struct 'MOLECULAR REPLACEMENT' -_refine.pdbx_isotropic_thermal_model ? -_refine.pdbx_stereochemistry_target_values ML -_refine.pdbx_stereochem_target_val_spec_case ? -_refine.pdbx_R_Free_selection_details ? -_refine.pdbx_overall_ESU_R ? -_refine.pdbx_overall_ESU_R_Free ? -_refine.overall_SU_ML ? -_refine.pdbx_overall_phase_error ? -_refine.overall_SU_B ? -_refine.overall_SU_R_Cruickshank_DPI ? -_refine.pdbx_overall_SU_R_free_Cruickshank_DPI ? -_refine.pdbx_overall_SU_R_Blow_DPI ? -_refine.pdbx_overall_SU_R_free_Blow_DPI ? -# -_refine_hist.pdbx_refine_id 'X-RAY DIFFRACTION' -_refine_hist.cycle_id LAST -_refine_hist.pdbx_number_atoms_protein 5377 -_refine_hist.pdbx_number_atoms_nucleic_acid 0 -_refine_hist.pdbx_number_atoms_ligand 94 -_refine_hist.number_atoms_solvent 75 -_refine_hist.number_atoms_total 5546 -_refine_hist.d_res_high 2.27 -_refine_hist.d_res_low 49.893 -# -loop_ -_refine_ls_shell.pdbx_refine_id -_refine_ls_shell.pdbx_total_number_of_bins_used -_refine_ls_shell.d_res_high -_refine_ls_shell.d_res_low -_refine_ls_shell.number_reflns_R_work -_refine_ls_shell.R_factor_R_work -_refine_ls_shell.percent_reflns_obs -_refine_ls_shell.R_factor_R_free -_refine_ls_shell.R_factor_R_free_error -_refine_ls_shell.percent_reflns_R_free -_refine_ls_shell.number_reflns_R_free -_refine_ls_shell.number_reflns_all -_refine_ls_shell.R_factor_all -'X-RAY DIFFRACTION' . 2.2700 2.3368 3213 0.3252 99.00 0.4105 . . 142 . . -'X-RAY DIFFRACTION' . 2.3368 2.4123 3220 0.3179 99.00 0.3636 . . 129 . . -'X-RAY DIFFRACTION' . 2.4123 2.4985 3235 0.3265 99.00 0.3950 . . 123 . . -'X-RAY DIFFRACTION' . 2.4985 2.5985 3246 0.3363 99.00 0.4080 . . 130 . . -'X-RAY DIFFRACTION' . 2.5985 2.7167 3206 0.3499 99.00 0.4026 . . 129 . . -'X-RAY DIFFRACTION' . 2.7167 2.8600 3220 0.3433 99.00 0.4145 . . 147 . . -'X-RAY DIFFRACTION' . 2.8600 3.0391 3230 0.3094 99.00 0.3652 . . 145 . . -'X-RAY DIFFRACTION' . 3.0391 3.2737 3253 0.2433 100.00 0.2939 . . 144 . . -'X-RAY DIFFRACTION' . 3.2737 3.6031 3273 0.2258 100.00 0.3168 . . 148 . . -'X-RAY DIFFRACTION' . 3.6031 4.1243 3268 0.1834 99.00 0.2274 . . 154 . . -'X-RAY DIFFRACTION' . 4.1243 5.1953 3282 0.1588 99.00 0.1874 . . 160 . . -'X-RAY DIFFRACTION' . 5.1953 49.9053 3434 0.1818 99.00 0.2272 . . 174 . . -# -_struct.entry_id 5A7W -_struct.title 'Crystal structure of human JMJD2A in complex with compound 35' -_struct.pdbx_descriptor 'LYSINE-SPECIFIC DEMETHYLASE 4A (E.C.1.14.11.-)' -_struct.pdbx_model_details ? -_struct.pdbx_CASP_flag ? -_struct.pdbx_model_type_details ? -# -_struct_keywords.entry_id 5A7W -_struct_keywords.pdbx_keywords OXIDOREDUCTASE -_struct_keywords.text 'OXIDOREDUCTASE, KDM4A' -# -loop_ -_struct_asym.id -_struct_asym.pdbx_blank_PDB_chainid_flag -_struct_asym.pdbx_modified -_struct_asym.entity_id -_struct_asym.details -A N N 1 ? -B N N 2 ? -C N N 3 ? -D N N 4 ? -E N N 5 ? -F N N 6 ? -G N N 7 ? -H N N 7 ? -I N N 8 ? -J N N 3 ? -K N N 4 ? -L N N 5 ? -M N N 6 ? -N N N 7 ? -O N N 7 ? -P N N 7 ? -Q N N 8 ? -R N N 9 ? -S N N 9 ? -# -loop_ -_struct_conf.conf_type_id -_struct_conf.id -_struct_conf.pdbx_PDB_helix_id -_struct_conf.beg_label_comp_id -_struct_conf.beg_label_asym_id -_struct_conf.beg_label_seq_id -_struct_conf.pdbx_beg_PDB_ins_code -_struct_conf.end_label_comp_id -_struct_conf.end_label_asym_id -_struct_conf.end_label_seq_id -_struct_conf.pdbx_end_PDB_ins_code -_struct_conf.beg_auth_comp_id -_struct_conf.beg_auth_asym_id -_struct_conf.beg_auth_seq_id -_struct_conf.end_auth_comp_id -_struct_conf.end_auth_asym_id -_struct_conf.end_auth_seq_id -_struct_conf.pdbx_PDB_helix_class -_struct_conf.details -_struct_conf.pdbx_PDB_helix_length -HELX_P HELX_P1 1 THR A 42 ? ARG A 47 ? THR A 20 ARG A 25 1 ? 6 -HELX_P HELX_P2 2 ASN A 48 ? GLN A 59 ? ASN A 26 GLN A 37 1 ? 12 -HELX_P HELX_P3 3 GLY A 60 ? ALA A 64 ? GLY A 38 ALA A 42 5 ? 5 -HELX_P HELX_P4 4 ASP A 82 ? ASP A 86 ? ASP A 60 ASP A 64 5 ? 5 -HELX_P HELX_P5 5 VAL A 116 ? SER A 125 ? VAL A 94 SER A 103 1 ? 10 -HELX_P HELX_P6 6 GLU A 135 ? LEU A 147 ? GLU A 113 LEU A 125 1 ? 13 -HELX_P HELX_P7 7 THR A 177 ? LEU A 179 ? THR A 155 LEU A 157 5 ? 3 -HELX_P HELX_P8 8 ASP A 180 ? GLU A 185 ? ASP A 158 GLU A 163 1 ? 6 -HELX_P HELX_P9 9 GLU A 212 ? LEU A 216 ? GLU A 190 LEU A 194 5 ? 5 -HELX_P HELX_P10 10 PRO A 234 ? GLU A 236 ? PRO A 212 GLU A 214 5 ? 3 -HELX_P HELX_P11 11 HIS A 237 ? PHE A 249 ? HIS A 215 PHE A 227 1 ? 13 -HELX_P HELX_P12 12 PHE A 249 ? CYS A 256 ? PHE A 227 CYS A 234 1 ? 8 -HELX_P HELX_P13 13 ALA A 258 ? LYS A 263 ? ALA A 236 LYS A 241 5 ? 6 -HELX_P HELX_P14 14 SER A 268 ? TYR A 275 ? SER A 246 TYR A 253 1 ? 8 -HELX_P HELX_P15 15 ARG A 317 ? ALA A 325 ? ARG A 295 ALA A 303 1 ? 9 -HELX_P HELX_P16 16 MET A 339 ? GLN A 347 ? MET A 317 GLN A 325 1 ? 9 -HELX_P HELX_P17 17 ARG A 350 ? ALA A 356 ? ARG A 328 ALA A 334 1 ? 7 -HELX_P HELX_P18 18 THR A 369 ? ALA A 373 ? THR A 347 ALA A 351 5 ? 5 -HELX_P HELX_P19 19 ASN B 31 ? ARG B 35 ? ASN B 9 ARG B 13 5 ? 5 -HELX_P HELX_P20 20 THR B 42 ? ASN B 48 ? THR B 20 ASN B 26 1 ? 7 -HELX_P HELX_P21 21 ASN B 48 ? GLN B 59 ? ASN B 26 GLN B 37 1 ? 12 -HELX_P HELX_P22 22 GLY B 60 ? ALA B 64 ? GLY B 38 ALA B 42 5 ? 5 -HELX_P HELX_P23 23 ASP B 82 ? ASP B 86 ? ASP B 60 ASP B 64 5 ? 5 -HELX_P HELX_P24 24 VAL B 116 ? ASN B 124 ? VAL B 94 ASN B 102 1 ? 9 -HELX_P HELX_P25 25 GLU B 135 ? LEU B 147 ? GLU B 113 LEU B 125 1 ? 13 -HELX_P HELX_P26 26 THR B 177 ? LEU B 179 ? THR B 155 LEU B 157 5 ? 3 -HELX_P HELX_P27 27 ASP B 180 ? GLU B 185 ? ASP B 158 GLU B 163 1 ? 6 -HELX_P HELX_P28 28 GLU B 212 ? LEU B 216 ? GLU B 190 LEU B 194 5 ? 5 -HELX_P HELX_P29 29 PRO B 234 ? GLU B 236 ? PRO B 212 GLU B 214 5 ? 3 -HELX_P HELX_P30 30 HIS B 237 ? PHE B 249 ? HIS B 215 PHE B 227 1 ? 13 -HELX_P HELX_P31 31 PHE B 249 ? CYS B 256 ? PHE B 227 CYS B 234 1 ? 8 -HELX_P HELX_P32 32 ALA B 258 ? LYS B 263 ? ALA B 236 LYS B 241 5 ? 6 -HELX_P HELX_P33 33 SER B 268 ? TYR B 275 ? SER B 246 TYR B 253 1 ? 8 -HELX_P HELX_P34 34 ARG B 317 ? ALA B 325 ? ARG B 295 ALA B 303 1 ? 9 -HELX_P HELX_P35 35 MET B 339 ? GLN B 347 ? MET B 317 GLN B 325 1 ? 9 -HELX_P HELX_P36 36 GLN B 347 ? ALA B 356 ? GLN B 325 ALA B 334 1 ? 10 -HELX_P HELX_P37 37 THR B 369 ? GLU B 374 ? THR B 347 GLU B 352 5 ? 6 -# -_struct_conf_type.id HELX_P -_struct_conf_type.criteria ? -_struct_conf_type.reference ? -# -loop_ -_struct_conn.id -_struct_conn.conn_type_id -_struct_conn.pdbx_leaving_atom_flag -_struct_conn.pdbx_PDB_id -_struct_conn.ptnr1_label_asym_id -_struct_conn.ptnr1_label_comp_id -_struct_conn.ptnr1_label_seq_id -_struct_conn.ptnr1_label_atom_id -_struct_conn.pdbx_ptnr1_label_alt_id -_struct_conn.pdbx_ptnr1_PDB_ins_code -_struct_conn.pdbx_ptnr1_standard_comp_id -_struct_conn.ptnr1_symmetry -_struct_conn.ptnr2_label_asym_id -_struct_conn.ptnr2_label_comp_id -_struct_conn.ptnr2_label_seq_id -_struct_conn.ptnr2_label_atom_id -_struct_conn.pdbx_ptnr2_label_alt_id -_struct_conn.pdbx_ptnr2_PDB_ins_code -_struct_conn.ptnr1_auth_asym_id -_struct_conn.ptnr1_auth_comp_id -_struct_conn.ptnr1_auth_seq_id -_struct_conn.ptnr2_auth_asym_id -_struct_conn.ptnr2_auth_comp_id -_struct_conn.ptnr2_auth_seq_id -_struct_conn.ptnr2_symmetry -_struct_conn.pdbx_ptnr3_label_atom_id -_struct_conn.pdbx_ptnr3_label_seq_id -_struct_conn.pdbx_ptnr3_label_comp_id -_struct_conn.pdbx_ptnr3_label_asym_id -_struct_conn.pdbx_ptnr3_label_alt_id -_struct_conn.pdbx_ptnr3_PDB_ins_code -_struct_conn.details -_struct_conn.pdbx_dist_value -_struct_conn.pdbx_value_order -metalc1 metalc ? ? D 35M . O2 ? ? ? 1_555 E MN . MN ? ? A 35M 1355 A MN 1356 1_555 ? ? ? ? ? ? ? 2.374 ? -metalc2 metalc ? ? D 35M . N1 ? ? ? 1_555 E MN . MN ? ? A 35M 1355 A MN 1356 1_555 ? ? ? ? ? ? ? 2.313 ? -metalc3 metalc ? ? E MN . MN ? ? ? 1_555 A HIS 298 NE2 ? ? A MN 1356 A HIS 276 1_555 ? ? ? ? ? ? ? 2.138 ? -metalc4 metalc ? ? E MN . MN ? ? ? 1_555 R HOH . O ? ? A MN 1356 A HOH 2019 1_555 ? ? ? ? ? ? ? 2.033 ? -metalc5 metalc ? ? E MN . MN ? ? ? 1_555 A HIS 210 NE2 ? ? A MN 1356 A HIS 188 1_555 ? ? ? ? ? ? ? 1.989 ? -metalc6 metalc ? ? E MN . MN ? ? ? 1_555 A GLU 212 OE2 ? ? A MN 1356 A GLU 190 1_555 ? ? ? ? ? ? ? 1.804 ? -metalc7 metalc ? ? F ZN . ZN ? ? ? 1_555 A CYS 330 SG ? ? A ZN 1357 A CYS 308 1_555 ? ? ? ? ? ? ? 2.424 ? -metalc8 metalc ? ? F ZN . ZN ? ? ? 1_555 A CYS 328 SG ? ? A ZN 1357 A CYS 306 1_555 ? ? ? ? ? ? ? 2.228 ? -metalc9 metalc ? ? F ZN . ZN ? ? ? 1_555 A HIS 262 NE2 ? ? A ZN 1357 A HIS 240 1_555 ? ? ? ? ? ? ? 2.105 ? -metalc10 metalc ? ? F ZN . ZN ? ? ? 1_555 A CYS 256 SG ? ? A ZN 1357 A CYS 234 1_555 ? ? ? ? ? ? ? 2.228 ? -metalc11 metalc ? ? K 35M . N1 ? ? ? 1_555 L MN . MN ? ? B 35M 1355 B MN 1356 1_555 ? ? ? ? ? ? ? 2.283 ? -metalc12 metalc ? ? K 35M . O2 ? ? ? 1_555 L MN . MN ? ? B 35M 1355 B MN 1356 1_555 ? ? ? ? ? ? ? 2.310 ? -metalc13 metalc ? ? L MN . MN ? ? ? 1_555 S HOH . O ? ? B MN 1356 B HOH 2022 1_555 ? ? ? ? ? ? ? 2.144 ? -metalc14 metalc ? ? L MN . MN ? ? ? 1_555 B HIS 298 NE2 ? ? B MN 1356 B HIS 276 1_555 ? ? ? ? ? ? ? 2.344 ? -metalc15 metalc ? ? L MN . MN ? ? ? 1_555 B GLU 212 OE2 ? ? B MN 1356 B GLU 190 1_555 ? ? ? ? ? ? ? 1.818 ? -metalc16 metalc ? ? L MN . MN ? ? ? 1_555 B HIS 210 NE2 ? ? B MN 1356 B HIS 188 1_555 ? ? ? ? ? ? ? 2.080 ? -metalc17 metalc ? ? M ZN . ZN ? ? ? 1_555 B CYS 330 SG ? ? B ZN 1357 B CYS 308 1_555 ? ? ? ? ? ? ? 2.281 ? -metalc18 metalc ? ? M ZN . ZN ? ? ? 1_555 B HIS 262 NE2 ? ? B ZN 1357 B HIS 240 1_555 ? ? ? ? ? ? ? 2.184 ? -metalc19 metalc ? ? M ZN . ZN ? ? ? 1_555 B CYS 256 SG ? ? B ZN 1357 B CYS 234 1_555 ? ? ? ? ? ? ? 2.271 ? -metalc20 metalc ? ? M ZN . ZN ? ? ? 1_555 B CYS 328 SG ? ? B ZN 1357 B CYS 306 1_555 ? ? ? ? ? ? ? 2.221 ? -# -_struct_conn_type.id metalc -_struct_conn_type.criteria ? -_struct_conn_type.reference ? -# -loop_ -_struct_sheet.id -_struct_sheet.type -_struct_sheet.number_strands -_struct_sheet.details -AA ? 10 ? -AB ? 2 ? -AC ? 4 ? -BA ? 10 ? -BB ? 2 ? -BC ? 4 ? -# -loop_ -_struct_sheet_order.sheet_id -_struct_sheet_order.range_id_1 -_struct_sheet_order.range_id_2 -_struct_sheet_order.offset -_struct_sheet_order.sense -AA 1 2 ? parallel -AA 2 3 ? anti-parallel -AA 3 4 ? anti-parallel -AA 4 5 ? anti-parallel -AA 5 6 ? anti-parallel -AA 6 7 ? anti-parallel -AA 7 8 ? anti-parallel -AA 8 9 ? anti-parallel -AA 9 10 ? anti-parallel -AB 1 2 ? anti-parallel -AC 1 2 ? anti-parallel -AC 2 3 ? anti-parallel -AC 3 4 ? anti-parallel -BA 1 2 ? parallel -BA 2 3 ? anti-parallel -BA 3 4 ? anti-parallel -BA 4 5 ? anti-parallel -BA 5 6 ? anti-parallel -BA 6 7 ? anti-parallel -BA 7 8 ? anti-parallel -BA 8 9 ? anti-parallel -BA 9 10 ? anti-parallel -BB 1 2 ? anti-parallel -BC 1 2 ? anti-parallel -BC 2 3 ? anti-parallel -BC 3 4 ? anti-parallel -# -loop_ -_struct_sheet_range.sheet_id -_struct_sheet_range.id -_struct_sheet_range.beg_label_comp_id -_struct_sheet_range.beg_label_asym_id -_struct_sheet_range.beg_label_seq_id -_struct_sheet_range.pdbx_beg_PDB_ins_code -_struct_sheet_range.end_label_comp_id -_struct_sheet_range.end_label_asym_id -_struct_sheet_range.end_label_seq_id -_struct_sheet_range.pdbx_end_PDB_ins_code -_struct_sheet_range.beg_auth_comp_id -_struct_sheet_range.beg_auth_asym_id -_struct_sheet_range.beg_auth_seq_id -_struct_sheet_range.end_auth_comp_id -_struct_sheet_range.end_auth_asym_id -_struct_sheet_range.end_auth_seq_id -AA 1 THR A 38 ? PHE A 39 ? THR A 16 PHE A 17 -AA 2 LEU A 66 ? VAL A 69 ? LEU A 44 VAL A 47 -AA 3 PHE A 289 ? THR A 292 ? PHE A 267 THR A 270 -AA 4 TYR A 217 ? GLY A 225 ? TYR A 195 GLY A 203 -AA 5 ASN A 306 ? PHE A 313 ? ASN A 284 PHE A 291 -AA 6 TYR A 197 ? GLY A 201 ? TYR A 175 GLY A 179 -AA 7 ILE A 153 ? ASN A 159 ? ILE A 131 ASN A 137 -AA 8 ILE A 93 ? GLN A 100 ? ILE A 71 GLN A 78 -AA 9 LEU A 103 ? GLN A 110 ? LEU A 81 GLN A 88 -AA 10 THR A 265 ? ILE A 267 ? THR A 243 ILE A 245 -AB 1 VAL A 88 ? ILE A 89 ? VAL A 66 ILE A 67 -AB 2 MET A 114 ? THR A 115 ? MET A 92 THR A 93 -AC 1 SER A 206 ? HIS A 210 ? SER A 184 HIS A 188 -AC 2 HIS A 298 ? ASN A 302 ? HIS A 276 ASN A 280 -AC 3 LYS A 228 ? SER A 232 ? LYS A 206 SER A 210 -AC 4 ASP A 280 ? GLN A 284 ? ASP A 258 GLN A 262 -BA 1 THR B 38 ? PHE B 39 ? THR B 16 PHE B 17 -BA 2 LEU B 66 ? VAL B 69 ? LEU B 44 VAL B 47 -BA 3 PHE B 289 ? THR B 292 ? PHE B 267 THR B 270 -BA 4 TYR B 217 ? GLY B 225 ? TYR B 195 GLY B 203 -BA 5 ASN B 306 ? PHE B 313 ? ASN B 284 PHE B 291 -BA 6 TYR B 197 ? GLY B 201 ? TYR B 175 GLY B 179 -BA 7 ILE B 153 ? ASN B 159 ? ILE B 131 ASN B 137 -BA 8 ILE B 93 ? GLN B 100 ? ILE B 71 GLN B 78 -BA 9 LEU B 103 ? GLN B 110 ? LEU B 81 GLN B 88 -BA 10 THR B 265 ? ILE B 267 ? THR B 243 ILE B 245 -BB 1 VAL B 88 ? ILE B 89 ? VAL B 66 ILE B 67 -BB 2 MET B 114 ? THR B 115 ? MET B 92 THR B 93 -BC 1 SER B 206 ? HIS B 210 ? SER B 184 HIS B 188 -BC 2 TYR B 297 ? ASN B 302 ? TYR B 275 ASN B 280 -BC 3 LYS B 228 ? VAL B 233 ? LYS B 206 VAL B 211 -BC 4 ASP B 280 ? GLN B 284 ? ASP B 258 GLN B 262 -# -loop_ -_pdbx_struct_sheet_hbond.sheet_id -_pdbx_struct_sheet_hbond.range_id_1 -_pdbx_struct_sheet_hbond.range_id_2 -_pdbx_struct_sheet_hbond.range_1_label_atom_id -_pdbx_struct_sheet_hbond.range_1_label_comp_id -_pdbx_struct_sheet_hbond.range_1_label_asym_id -_pdbx_struct_sheet_hbond.range_1_label_seq_id -_pdbx_struct_sheet_hbond.range_1_PDB_ins_code -_pdbx_struct_sheet_hbond.range_1_auth_atom_id -_pdbx_struct_sheet_hbond.range_1_auth_comp_id -_pdbx_struct_sheet_hbond.range_1_auth_asym_id -_pdbx_struct_sheet_hbond.range_1_auth_seq_id -_pdbx_struct_sheet_hbond.range_2_label_atom_id -_pdbx_struct_sheet_hbond.range_2_label_comp_id -_pdbx_struct_sheet_hbond.range_2_label_asym_id -_pdbx_struct_sheet_hbond.range_2_label_seq_id -_pdbx_struct_sheet_hbond.range_2_PDB_ins_code -_pdbx_struct_sheet_hbond.range_2_auth_atom_id -_pdbx_struct_sheet_hbond.range_2_auth_comp_id -_pdbx_struct_sheet_hbond.range_2_auth_asym_id -_pdbx_struct_sheet_hbond.range_2_auth_seq_id -AA 1 2 N PHE A 39 ? N PHE A 17 O LYS A 68 ? O LYS A 46 -AA 2 3 N VAL A 69 ? N VAL A 47 O PHE A 289 ? O PHE A 267 -AA 3 4 N THR A 292 ? N THR A 270 O SER A 218 ? O SER A 196 -AA 4 5 N PHE A 224 ? N PHE A 202 O CYS A 307 ? O CYS A 285 -AA 5 6 N SER A 310 ? N SER A 288 O TYR A 197 ? O TYR A 175 -AA 6 7 N PHE A 200 ? N PHE A 178 O GLY A 155 ? O GLY A 133 -AA 7 8 N TYR A 154 ? N TYR A 132 O ILE A 93 ? O ILE A 71 -AA 8 9 N GLN A 100 ? N GLN A 78 O LEU A 103 ? O LEU A 81 -AA 9 10 N PHE A 104 ? N PHE A 82 O LEU A 266 ? O LEU A 244 -AB 1 2 N ILE A 89 ? N ILE A 67 O MET A 114 ? O MET A 92 -AC 1 2 N HIS A 210 ? N HIS A 188 O HIS A 298 ? O HIS A 276 -AC 2 3 N PHE A 301 ? N PHE A 279 O SER A 229 ? O SER A 207 -AC 3 4 N SER A 232 ? N SER A 210 O ASP A 280 ? O ASP A 258 -BA 1 2 N PHE B 39 ? N PHE B 17 O LYS B 68 ? O LYS B 46 -BA 2 3 N VAL B 69 ? N VAL B 47 O PHE B 289 ? O PHE B 267 -BA 3 4 N THR B 292 ? N THR B 270 O SER B 218 ? O SER B 196 -BA 4 5 N PHE B 224 ? N PHE B 202 O CYS B 307 ? O CYS B 285 -BA 5 6 N SER B 310 ? N SER B 288 O TYR B 197 ? O TYR B 175 -BA 6 7 N PHE B 200 ? N PHE B 178 O GLY B 155 ? O GLY B 133 -BA 7 8 N TYR B 154 ? N TYR B 132 O ILE B 93 ? O ILE B 71 -BA 8 9 N GLN B 100 ? N GLN B 78 O LEU B 103 ? O LEU B 81 -BA 9 10 N PHE B 104 ? N PHE B 82 O LEU B 266 ? O LEU B 244 -BB 1 2 N ILE B 89 ? N ILE B 67 O MET B 114 ? O MET B 92 -BC 1 2 N HIS B 210 ? N HIS B 188 O HIS B 298 ? O HIS B 276 -BC 2 3 N PHE B 301 ? N PHE B 279 O SER B 229 ? O SER B 207 -BC 3 4 N SER B 232 ? N SER B 210 O ASP B 280 ? O ASP B 258 -# -loop_ -_struct_site.id -_struct_site.pdbx_evidence_code -_struct_site.pdbx_auth_asym_id -_struct_site.pdbx_auth_comp_id -_struct_site.pdbx_auth_seq_id -_struct_site.pdbx_auth_ins_code -_struct_site.pdbx_num_residues -_struct_site.details -AC1 Software ? ? ? ? 5 'BINDING SITE FOR RESIDUE SO4 A 1354' -AC2 Software ? ? ? ? 5 'BINDING SITE FOR RESIDUE SO4 B 1354' -AC3 Software ? ? ? ? 15 'BINDING SITE FOR RESIDUE 35M B 1355' -AC4 Software ? ? ? ? 14 'BINDING SITE FOR RESIDUE 35M A 1355' -AC5 Software ? ? ? ? 5 'BINDING SITE FOR RESIDUE MN A 1356' -AC6 Software ? ? ? ? 5 'BINDING SITE FOR RESIDUE MN B 1356' -AC7 Software ? ? ? ? 4 'BINDING SITE FOR RESIDUE ZN A 1357' -AC8 Software ? ? ? ? 4 'BINDING SITE FOR RESIDUE ZN B 1357' -AC9 Software ? ? ? ? 4 'BINDING SITE FOR RESIDUE EDO B 1358' -BC1 Software ? ? ? ? 3 'BINDING SITE FOR RESIDUE EDO B 1359' -BC2 Software ? ? ? ? 5 'BINDING SITE FOR RESIDUE EDO B 1360' -BC3 Software ? ? ? ? 1 'BINDING SITE FOR RESIDUE EDO A 1358' -BC4 Software ? ? ? ? 4 'BINDING SITE FOR RESIDUE EDO A 1359' -BC5 Software ? ? ? ? 7 'BINDING SITE FOR RESIDUE DMS B 1361' -BC6 Software ? ? ? ? 5 'BINDING SITE FOR RESIDUE DMS A 1360' -# -loop_ -_struct_site_gen.id -_struct_site_gen.site_id -_struct_site_gen.pdbx_num_res -_struct_site_gen.label_comp_id -_struct_site_gen.label_asym_id -_struct_site_gen.label_seq_id -_struct_site_gen.pdbx_auth_ins_code -_struct_site_gen.auth_comp_id -_struct_site_gen.auth_asym_id -_struct_site_gen.auth_seq_id -_struct_site_gen.label_atom_id -_struct_site_gen.label_alt_id -_struct_site_gen.symmetry -_struct_site_gen.details -1 AC1 5 PHE A 249 ? PHE A 227 . ? 1_555 ? -2 AC1 5 PRO A 250 ? PRO A 228 . ? 1_555 ? -3 AC1 5 GLY A 251 ? GLY A 229 . ? 1_555 ? -4 AC1 5 SER A 252 ? SER A 230 . ? 1_555 ? -5 AC1 5 LYS B 127 ? LYS B 105 . ? 4_545 ? -6 AC2 5 LYS A 127 ? LYS A 105 . ? 4_445 ? -7 AC2 5 PHE B 249 ? PHE B 227 . ? 1_555 ? -8 AC2 5 PRO B 250 ? PRO B 228 . ? 1_555 ? -9 AC2 5 GLY B 251 ? GLY B 229 . ? 1_555 ? -10 AC2 5 SER B 252 ? SER B 230 . ? 1_555 ? -11 AC3 15 ASN B 108 ? ASN B 86 . ? 1_555 ? -12 AC3 15 TYR B 154 ? TYR B 132 . ? 1_555 ? -13 AC3 15 ASP B 157 ? ASP B 135 . ? 1_555 ? -14 AC3 15 TYR B 199 ? TYR B 177 . ? 1_555 ? -15 AC3 15 PHE B 207 ? PHE B 185 . ? 1_555 ? -16 AC3 15 HIS B 210 ? HIS B 188 . ? 1_555 ? -17 AC3 15 GLU B 212 ? GLU B 190 . ? 1_555 ? -18 AC3 15 ASN B 220 ? ASN B 198 . ? 1_555 ? -19 AC3 15 LYS B 228 ? LYS B 206 . ? 1_555 ? -20 AC3 15 TRP B 230 ? TRP B 208 . ? 1_555 ? -21 AC3 15 LYS B 263 ? LYS B 241 . ? 1_555 ? -22 AC3 15 MN L . ? MN B 1356 . ? 1_555 ? -23 AC3 15 DMS Q . ? DMS B 1361 . ? 1_555 ? -24 AC3 15 HOH S . ? HOH B 2013 . ? 1_555 ? -25 AC3 15 HOH S . ? HOH B 2022 . ? 1_555 ? -26 AC4 14 ASN A 108 ? ASN A 86 . ? 1_555 ? -27 AC4 14 TYR A 154 ? TYR A 132 . ? 1_555 ? -28 AC4 14 PHE A 207 ? PHE A 185 . ? 1_555 ? -29 AC4 14 HIS A 210 ? HIS A 188 . ? 1_555 ? -30 AC4 14 GLU A 212 ? GLU A 190 . ? 1_555 ? -31 AC4 14 ASN A 220 ? ASN A 198 . ? 1_555 ? -32 AC4 14 LYS A 228 ? LYS A 206 . ? 1_555 ? -33 AC4 14 TRP A 230 ? TRP A 208 . ? 1_555 ? -34 AC4 14 LYS A 263 ? LYS A 241 . ? 1_555 ? -35 AC4 14 MN E . ? MN A 1356 . ? 1_555 ? -36 AC4 14 DMS I . ? DMS A 1360 . ? 1_555 ? -37 AC4 14 HOH R . ? HOH A 2007 . ? 1_555 ? -38 AC4 14 HOH R . ? HOH A 2011 . ? 1_555 ? -39 AC4 14 HOH R . ? HOH A 2019 . ? 1_555 ? -40 AC5 5 HIS A 210 ? HIS A 188 . ? 1_555 ? -41 AC5 5 GLU A 212 ? GLU A 190 . ? 1_555 ? -42 AC5 5 HIS A 298 ? HIS A 276 . ? 1_555 ? -43 AC5 5 35M D . ? 35M A 1355 . ? 1_555 ? -44 AC5 5 HOH R . ? HOH A 2019 . ? 1_555 ? -45 AC6 5 HIS B 210 ? HIS B 188 . ? 1_555 ? -46 AC6 5 GLU B 212 ? GLU B 190 . ? 1_555 ? -47 AC6 5 HIS B 298 ? HIS B 276 . ? 1_555 ? -48 AC6 5 35M K . ? 35M B 1355 . ? 1_555 ? -49 AC6 5 HOH S . ? HOH B 2022 . ? 1_555 ? -50 AC7 4 CYS A 256 ? CYS A 234 . ? 1_555 ? -51 AC7 4 HIS A 262 ? HIS A 240 . ? 1_555 ? -52 AC7 4 CYS A 328 ? CYS A 306 . ? 1_555 ? -53 AC7 4 CYS A 330 ? CYS A 308 . ? 1_555 ? -54 AC8 4 CYS B 256 ? CYS B 234 . ? 1_555 ? -55 AC8 4 HIS B 262 ? HIS B 240 . ? 1_555 ? -56 AC8 4 CYS B 328 ? CYS B 306 . ? 1_555 ? -57 AC8 4 CYS B 330 ? CYS B 308 . ? 1_555 ? -58 AC9 4 LYS B 246 ? LYS B 224 . ? 1_555 ? -59 AC9 4 ALA B 258 ? ALA B 236 . ? 1_555 ? -60 AC9 4 PHE B 259 ? PHE B 237 . ? 1_555 ? -61 AC9 4 LEU B 260 ? LEU B 238 . ? 1_555 ? -62 BC1 3 PHE B 136 ? PHE B 114 . ? 1_555 ? -63 BC1 3 THR B 283 ? THR B 261 . ? 1_555 ? -64 BC1 3 HIS B 303 ? HIS B 281 . ? 1_555 ? -65 BC2 5 THR B 105 ? THR B 83 . ? 1_555 ? -66 BC2 5 PHE B 249 ? PHE B 227 . ? 1_555 ? -67 BC2 5 SER B 252 ? SER B 230 . ? 1_555 ? -68 BC2 5 HIS B 262 ? HIS B 240 . ? 1_555 ? -69 BC2 5 THR B 265 ? THR B 243 . ? 1_555 ? -70 BC3 1 LYS A 112 ? LYS A 90 . ? 1_555 ? -71 BC4 4 GLU A 257 ? GLU A 235 . ? 1_555 ? -72 BC4 4 ALA A 258 ? ALA A 236 . ? 1_555 ? -73 BC4 4 PHE A 259 ? PHE A 237 . ? 1_555 ? -74 BC4 4 LEU A 260 ? LEU A 238 . ? 1_555 ? -75 BC5 7 GLY B 192 ? GLY B 170 . ? 1_555 ? -76 BC5 7 TYR B 197 ? TYR B 175 . ? 1_555 ? -77 BC5 7 TYR B 199 ? TYR B 177 . ? 1_555 ? -78 BC5 7 GLU B 212 ? GLU B 190 . ? 1_555 ? -79 BC5 7 SER B 310 ? SER B 288 . ? 1_555 ? -80 BC5 7 ASN B 312 ? ASN B 290 . ? 1_555 ? -81 BC5 7 35M K . ? 35M B 1355 . ? 1_555 ? -82 BC6 5 GLY A 192 ? GLY A 170 . ? 1_555 ? -83 BC6 5 TYR A 197 ? TYR A 175 . ? 1_555 ? -84 BC6 5 TYR A 199 ? TYR A 177 . ? 1_555 ? -85 BC6 5 SER A 310 ? SER A 288 . ? 1_555 ? -86 BC6 5 35M D . ? 35M A 1355 . ? 1_555 ? -# -_database_PDB_matrix.entry_id 5A7W -_database_PDB_matrix.origx[1][1] 1.000000 -_database_PDB_matrix.origx[1][2] 0.000000 -_database_PDB_matrix.origx[1][3] 0.000000 -_database_PDB_matrix.origx[2][1] 0.000000 -_database_PDB_matrix.origx[2][2] 1.000000 -_database_PDB_matrix.origx[2][3] 0.000000 -_database_PDB_matrix.origx[3][1] 0.000000 -_database_PDB_matrix.origx[3][2] 0.000000 -_database_PDB_matrix.origx[3][3] 1.000000 -_database_PDB_matrix.origx_vector[1] 0.00000 -_database_PDB_matrix.origx_vector[2] 0.00000 -_database_PDB_matrix.origx_vector[3] 0.00000 -# -_atom_sites.entry_id 5A7W -_atom_sites.fract_transf_matrix[1][1] 0.009878 -_atom_sites.fract_transf_matrix[1][2] 0.000000 -_atom_sites.fract_transf_matrix[1][3] 0.000000 -_atom_sites.fract_transf_matrix[2][1] 0.000000 -_atom_sites.fract_transf_matrix[2][2] 0.006678 -_atom_sites.fract_transf_matrix[2][3] 0.000000 -_atom_sites.fract_transf_matrix[3][1] 0.000000 -_atom_sites.fract_transf_matrix[3][2] 0.000000 -_atom_sites.fract_transf_matrix[3][3] 0.017440 -_atom_sites.fract_transf_vector[1] 0.00000 -_atom_sites.fract_transf_vector[2] 0.00000 -_atom_sites.fract_transf_vector[3] 0.00000 -# -loop_ -_atom_type.symbol -C -MN -N -O -S -ZN -# -loop_ -_atom_site.group_PDB -_atom_site.id -_atom_site.type_symbol -_atom_site.label_atom_id -_atom_site.label_alt_id -_atom_site.label_comp_id -_atom_site.label_asym_id -_atom_site.label_entity_id -_atom_site.label_seq_id -_atom_site.pdbx_PDB_ins_code -_atom_site.Cartn_x -_atom_site.Cartn_y -_atom_site.Cartn_z -_atom_site.occupancy -_atom_site.B_iso_or_equiv -_atom_site.pdbx_formal_charge -_atom_site.auth_seq_id -_atom_site.auth_comp_id -_atom_site.auth_asym_id -_atom_site.auth_atom_id -_atom_site.pdbx_PDB_model_num -ATOM 1 C C . LEU A 1 30 ? -49.201 -35.716 -23.840 1.00 77.15 ? 8 LEU A C 1 -ATOM 2 O O . LEU A 1 30 ? -50.290 -35.144 -23.955 1.00 75.25 ? 8 LEU A O 1 -ATOM 3 N N . ASN A 1 31 ? -48.063 -35.075 -23.583 1.00 61.74 ? 9 ASN A N 1 -ATOM 4 C CA . ASN A 1 31 ? -46.758 -35.747 -23.590 1.00 72.09 ? 9 ASN A CA 1 -ATOM 5 C C . ASN A 1 31 ? -46.471 -36.408 -22.239 1.00 74.83 ? 9 ASN A C 1 -ATOM 6 O O . ASN A 1 31 ? -45.771 -35.837 -21.383 1.00 75.60 ? 9 ASN A O 1 -ATOM 7 C CB . ASN A 1 31 ? -45.668 -34.723 -23.922 1.00 64.10 ? 9 ASN A CB 1 -ATOM 8 C CG . ASN A 1 31 ? -44.276 -35.316 -23.929 1.00 68.40 ? 9 ASN A CG 1 -ATOM 9 O OD1 . ASN A 1 31 ? -44.098 -36.531 -24.041 1.00 80.25 ? 9 ASN A OD1 1 -ATOM 10 N ND2 . ASN A 1 31 ? -43.272 -34.451 -23.848 1.00 68.67 ? 9 ASN A ND2 1 -ATOM 11 N N . PRO A 1 32 ? -46.951 -37.645 -22.065 1.00 67.90 ? 10 PRO A N 1 -ATOM 12 C CA . PRO A 1 32 ? -46.876 -38.278 -20.743 1.00 71.06 ? 10 PRO A CA 1 -ATOM 13 C C . PRO A 1 32 ? -45.468 -38.698 -20.305 1.00 67.29 ? 10 PRO A C 1 -ATOM 14 O O . PRO A 1 32 ? -45.185 -38.721 -19.097 1.00 55.72 ? 10 PRO A O 1 -ATOM 15 C CB . PRO A 1 32 ? -47.772 -39.510 -20.922 1.00 69.88 ? 10 PRO A CB 1 -ATOM 16 C CG . PRO A 1 32 ? -47.553 -39.892 -22.351 1.00 62.62 ? 10 PRO A CG 1 -ATOM 17 C CD . PRO A 1 32 ? -47.357 -38.599 -23.113 1.00 71.04 ? 10 PRO A CD 1 -ATOM 18 N N . SER A 1 33 ? -44.609 -39.008 -21.278 1.00 66.01 ? 11 SER A N 1 -ATOM 19 C CA . SER A 1 33 ? -43.212 -39.361 -21.026 1.00 64.91 ? 11 SER A CA 1 -ATOM 20 C C . SER A 1 33 ? -42.272 -38.154 -20.901 1.00 73.37 ? 11 SER A C 1 -ATOM 21 O O . SER A 1 33 ? -41.085 -38.324 -20.592 1.00 60.97 ? 11 SER A O 1 -ATOM 22 C CB . SER A 1 33 ? -42.708 -40.271 -22.140 1.00 63.77 ? 11 SER A CB 1 -ATOM 23 O OG . SER A 1 33 ? -42.941 -39.659 -23.401 1.00 77.17 ? 11 SER A OG 1 -ATOM 24 N N . ALA A 1 34 ? -42.791 -36.948 -21.151 1.00 69.65 ? 12 ALA A N 1 -ATOM 25 C CA . ALA A 1 34 ? -41.986 -35.732 -21.008 1.00 63.18 ? 12 ALA A CA 1 -ATOM 26 C C . ALA A 1 34 ? -40.686 -35.873 -21.812 1.00 60.72 ? 12 ALA A C 1 -ATOM 27 O O . ALA A 1 34 ? -39.609 -35.562 -21.311 1.00 60.55 ? 12 ALA A O 1 -ATOM 28 C CB . ALA A 1 34 ? -41.690 -35.425 -19.536 1.00 56.06 ? 12 ALA A CB 1 -ATOM 29 N N . ARG A 1 35 ? -40.792 -36.397 -23.032 1.00 65.09 ? 13 ARG A N 1 -ATOM 30 C CA . ARG A 1 35 ? -39.638 -36.532 -23.919 1.00 67.31 ? 13 ARG A CA 1 -ATOM 31 C C . ARG A 1 35 ? -39.461 -35.329 -24.832 1.00 65.39 ? 13 ARG A C 1 -ATOM 32 O O . ARG A 1 35 ? -40.418 -34.619 -25.154 1.00 60.25 ? 13 ARG A O 1 -ATOM 33 C CB . ARG A 1 35 ? -39.761 -37.791 -24.790 1.00 58.41 ? 13 ARG A CB 1 -ATOM 34 C CG . ARG A 1 35 ? -39.469 -39.099 -24.071 1.00 76.06 ? 13 ARG A CG 1 -ATOM 35 C CD . ARG A 1 35 ? -38.011 -39.526 -24.239 1.00 75.67 ? 13 ARG A CD 1 -ATOM 36 N N . ILE A 1 36 ? -38.218 -35.117 -25.249 1.00 61.31 ? 14 ILE A N 1 -ATOM 37 C CA . ILE A 1 36 ? -37.869 -33.997 -26.105 1.00 59.01 ? 14 ILE A CA 1 -ATOM 38 C C . ILE A 1 36 ? -38.399 -34.199 -27.510 1.00 60.80 ? 14 ILE A C 1 -ATOM 39 O O . ILE A 1 36 ? -37.970 -35.110 -28.228 1.00 63.20 ? 14 ILE A O 1 -ATOM 40 C CB . ILE A 1 36 ? -36.342 -33.792 -26.178 1.00 45.85 ? 14 ILE A CB 1 -ATOM 41 C CG1 . ILE A 1 36 ? -35.798 -33.338 -24.824 1.00 49.64 ? 14 ILE A CG1 1 -ATOM 42 C CG2 . ILE A 1 36 ? -36.008 -32.792 -27.245 1.00 49.07 ? 14 ILE A CG2 1 -ATOM 43 C CD1 . ILE A 1 36 ? -34.264 -33.340 -24.714 1.00 55.48 ? 14 ILE A CD1 1 -ATOM 44 N N . MET A 1 37 ? -39.304 -33.322 -27.915 1.00 52.75 ? 15 MET A N 1 -ATOM 45 C CA . MET A 1 37 ? -39.879 -33.380 -29.250 1.00 48.00 ? 15 MET A CA 1 -ATOM 46 C C . MET A 1 37 ? -39.135 -32.576 -30.299 1.00 49.04 ? 15 MET A C 1 -ATOM 47 O O . MET A 1 37 ? -38.388 -31.650 -29.975 1.00 57.77 ? 15 MET A O 1 -ATOM 48 C CB . MET A 1 37 ? -41.321 -32.919 -29.185 1.00 52.23 ? 15 MET A CB 1 -ATOM 49 C CG . MET A 1 37 ? -42.140 -33.769 -28.233 1.00 63.47 ? 15 MET A CG 1 -ATOM 50 S SD . MET A 1 37 ? -43.797 -33.125 -28.046 1.00 55.54 ? 15 MET A SD 1 -ATOM 51 C CE . MET A 1 37 ? -44.535 -34.340 -27.003 1.00 70.58 ? 15 MET A CE 1 -ATOM 52 N N . THR A 1 38 ? -39.318 -32.967 -31.559 1.00 57.35 ? 16 THR A N 1 -ATOM 53 C CA . THR A 1 38 ? -38.708 -32.281 -32.701 1.00 57.15 ? 16 THR A CA 1 -ATOM 54 C C . THR A 1 38 ? -39.830 -31.852 -33.628 1.00 57.27 ? 16 THR A C 1 -ATOM 55 O O . THR A 1 38 ? -40.760 -32.619 -33.864 1.00 59.36 ? 16 THR A O 1 -ATOM 56 C CB . THR A 1 38 ? -37.678 -33.178 -33.460 1.00 59.48 ? 16 THR A CB 1 -ATOM 57 O OG1 . THR A 1 38 ? -36.654 -33.613 -32.553 1.00 58.19 ? 16 THR A OG1 1 -ATOM 58 C CG2 . THR A 1 38 ? -37.001 -32.406 -34.584 1.00 58.35 ? 16 THR A CG2 1 -ATOM 59 N N . PHE A 1 39 ? -39.755 -30.627 -34.142 1.00 56.91 ? 17 PHE A N 1 -ATOM 60 C CA . PHE A 1 39 ? -40.835 -30.096 -34.978 1.00 56.22 ? 17 PHE A CA 1 -ATOM 61 C C . PHE A 1 39 ? -40.321 -29.598 -36.306 1.00 58.23 ? 17 PHE A C 1 -ATOM 62 O O . PHE A 1 39 ? -39.234 -29.013 -36.399 1.00 57.13 ? 17 PHE A O 1 -ATOM 63 C CB . PHE A 1 39 ? -41.575 -28.950 -34.278 1.00 59.71 ? 17 PHE A CB 1 -ATOM 64 C CG . PHE A 1 39 ? -42.308 -29.368 -33.046 1.00 60.96 ? 17 PHE A CG 1 -ATOM 65 C CD1 . PHE A 1 39 ? -43.615 -29.810 -33.123 1.00 61.41 ? 17 PHE A CD1 1 -ATOM 66 C CD2 . PHE A 1 39 ? -41.700 -29.316 -31.809 1.00 53.43 ? 17 PHE A CD2 1 -ATOM 67 C CE1 . PHE A 1 39 ? -44.298 -30.200 -31.991 1.00 55.55 ? 17 PHE A CE1 1 -ATOM 68 C CE2 . PHE A 1 39 ? -42.388 -29.711 -30.677 1.00 56.20 ? 17 PHE A CE2 1 -ATOM 69 C CZ . PHE A 1 39 ? -43.687 -30.161 -30.775 1.00 48.62 ? 17 PHE A CZ 1 -ATOM 70 N N . TYR A 1 40 ? -41.132 -29.817 -37.334 1.00 68.50 ? 18 TYR A N 1 -ATOM 71 C CA . TYR A 1 40 ? -40.796 -29.399 -38.688 1.00 73.29 ? 18 TYR A CA 1 -ATOM 72 C C . TYR A 1 40 ? -41.933 -28.584 -39.282 1.00 73.68 ? 18 TYR A C 1 -ATOM 73 O O . TYR A 1 40 ? -42.721 -29.111 -40.068 1.00 75.68 ? 18 TYR A O 1 -ATOM 74 C CB . TYR A 1 40 ? -40.513 -30.602 -39.582 1.00 63.88 ? 18 TYR A CB 1 -ATOM 75 C CG . TYR A 1 40 ? -39.324 -31.439 -39.193 1.00 61.76 ? 18 TYR A CG 1 -ATOM 76 C CD1 . TYR A 1 40 ? -39.420 -32.409 -38.208 1.00 56.16 ? 18 TYR A CD1 1 -ATOM 77 C CD2 . TYR A 1 40 ? -38.097 -31.267 -39.829 1.00 70.62 ? 18 TYR A CD2 1 -ATOM 78 C CE1 . TYR A 1 40 ? -38.317 -33.200 -37.868 1.00 54.31 ? 18 TYR A CE1 1 -ATOM 79 C CE2 . TYR A 1 40 ? -36.994 -32.052 -39.498 1.00 65.18 ? 18 TYR A CE2 1 -ATOM 80 C CZ . TYR A 1 40 ? -37.114 -33.015 -38.520 1.00 59.48 ? 18 TYR A CZ 1 -ATOM 81 O OH . TYR A 1 40 ? -36.013 -33.785 -38.196 1.00 72.33 ? 18 TYR A OH 1 -ATOM 82 N N . PRO A 1 41 ? -42.045 -27.310 -38.888 1.00 66.93 ? 19 PRO A N 1 -ATOM 83 C CA . PRO A 1 41 ? -43.139 -26.493 -39.406 1.00 69.78 ? 19 PRO A CA 1 -ATOM 84 C C . PRO A 1 41 ? -42.973 -26.232 -40.890 1.00 73.22 ? 19 PRO A C 1 -ATOM 85 O O . PRO A 1 41 ? -41.843 -26.110 -41.349 1.00 77.63 ? 19 PRO A O 1 -ATOM 86 C CB . PRO A 1 41 ? -43.013 -25.187 -38.611 1.00 68.00 ? 19 PRO A CB 1 -ATOM 87 C CG . PRO A 1 41 ? -41.595 -25.117 -38.219 1.00 66.27 ? 19 PRO A CG 1 -ATOM 88 C CD . PRO A 1 41 ? -41.174 -26.550 -37.979 1.00 71.01 ? 19 PRO A CD 1 -ATOM 89 N N . THR A 1 42 ? -44.076 -26.142 -41.625 1.00 79.93 ? 20 THR A N 1 -ATOM 90 C CA . THR A 1 42 ? -44.026 -25.657 -43.001 1.00 80.33 ? 20 THR A CA 1 -ATOM 91 C C . THR A 1 42 ? -43.855 -24.151 -42.978 1.00 75.87 ? 20 THR A C 1 -ATOM 92 O O . THR A 1 42 ? -43.969 -23.535 -41.923 1.00 75.35 ? 20 THR A O 1 -ATOM 93 C CB . THR A 1 42 ? -45.297 -25.990 -43.775 1.00 78.22 ? 20 THR A CB 1 -ATOM 94 O OG1 . THR A 1 42 ? -46.386 -25.245 -43.211 1.00 86.48 ? 20 THR A OG1 1 -ATOM 95 C CG2 . THR A 1 42 ? -45.596 -27.481 -43.694 1.00 80.48 ? 20 THR A CG2 1 -ATOM 96 N N . MET A 1 43 ? -43.632 -23.558 -44.145 1.00 83.56 ? 21 MET A N 1 -ATOM 97 C CA . MET A 1 43 ? -43.372 -22.121 -44.237 1.00 79.49 ? 21 MET A CA 1 -ATOM 98 C C . MET A 1 43 ? -44.543 -21.280 -43.731 1.00 80.20 ? 21 MET A C 1 -ATOM 99 O O . MET A 1 43 ? -44.343 -20.177 -43.222 1.00 81.97 ? 21 MET A O 1 -ATOM 100 C CB . MET A 1 43 ? -43.023 -21.729 -45.670 1.00 73.19 ? 21 MET A CB 1 -ATOM 101 C CG . MET A 1 43 ? -42.359 -20.366 -45.770 1.00 84.14 ? 21 MET A CG 1 -ATOM 102 S SD . MET A 1 43 ? -41.057 -20.154 -44.533 1.00 98.45 ? 21 MET A SD 1 -ATOM 103 C CE . MET A 1 43 ? -40.504 -18.469 -44.852 1.00 81.36 ? 21 MET A CE 1 -ATOM 104 N N . GLU A 1 44 ? -45.763 -21.786 -43.891 1.00 80.47 ? 22 GLU A N 1 -ATOM 105 C CA . GLU A 1 44 ? -46.949 -21.049 -43.451 1.00 80.96 ? 22 GLU A CA 1 -ATOM 106 C C . GLU A 1 44 ? -47.063 -21.026 -41.928 1.00 79.32 ? 22 GLU A C 1 -ATOM 107 O O . GLU A 1 44 ? -47.562 -20.060 -41.356 1.00 73.91 ? 22 GLU A O 1 -ATOM 108 C CB . GLU A 1 44 ? -48.220 -21.647 -44.064 1.00 74.25 ? 22 GLU A CB 1 -ATOM 109 N N . GLU A 1 45 ? -46.615 -22.095 -41.271 1.00 83.67 ? 23 GLU A N 1 -ATOM 110 C CA . GLU A 1 45 ? -46.676 -22.159 -39.811 1.00 76.92 ? 23 GLU A CA 1 -ATOM 111 C C . GLU A 1 45 ? -45.552 -21.388 -39.138 1.00 75.71 ? 23 GLU A C 1 -ATOM 112 O O . GLU A 1 45 ? -45.690 -20.920 -38.004 1.00 79.83 ? 23 GLU A O 1 -ATOM 113 C CB . GLU A 1 45 ? -46.675 -23.603 -39.325 1.00 72.06 ? 23 GLU A CB 1 -ATOM 114 C CG . GLU A 1 45 ? -47.872 -24.401 -39.791 1.00 76.49 ? 23 GLU A CG 1 -ATOM 115 C CD . GLU A 1 45 ? -47.712 -25.887 -39.544 1.00 88.46 ? 23 GLU A CD 1 -ATOM 116 O OE1 . GLU A 1 45 ? -46.914 -26.521 -40.266 1.00 82.19 ? 23 GLU A OE1 1 -ATOM 117 O OE2 . GLU A 1 45 ? -48.370 -26.417 -38.617 1.00 89.47 ? 23 GLU A OE2 1 -ATOM 118 N N . PHE A 1 46 ? -44.447 -21.251 -39.852 1.00 69.91 ? 24 PHE A N 1 -ATOM 119 C CA . PHE A 1 46 ? -43.247 -20.642 -39.312 1.00 70.70 ? 24 PHE A CA 1 -ATOM 120 C C . PHE A 1 46 ? -43.348 -19.129 -39.089 1.00 68.14 ? 24 PHE A C 1 -ATOM 121 O O . PHE A 1 46 ? -42.660 -18.603 -38.224 1.00 74.09 ? 24 PHE A O 1 -ATOM 122 C CB . PHE A 1 46 ? -42.077 -20.965 -40.247 1.00 73.27 ? 24 PHE A CB 1 -ATOM 123 C CG . PHE A 1 46 ? -40.717 -20.819 -39.620 1.00 67.19 ? 24 PHE A CG 1 -ATOM 124 C CD1 . PHE A 1 46 ? -40.350 -21.595 -38.525 1.00 65.10 ? 24 PHE A CD1 1 -ATOM 125 C CD2 . PHE A 1 46 ? -39.781 -19.966 -40.174 1.00 64.51 ? 24 PHE A CD2 1 -ATOM 126 C CE1 . PHE A 1 46 ? -39.096 -21.483 -37.968 1.00 59.17 ? 24 PHE A CE1 1 -ATOM 127 C CE2 . PHE A 1 46 ? -38.512 -19.853 -39.626 1.00 71.22 ? 24 PHE A CE2 1 -ATOM 128 C CZ . PHE A 1 46 ? -38.169 -20.609 -38.521 1.00 57.77 ? 24 PHE A CZ 1 -ATOM 129 N N . ARG A 1 47 ? -44.202 -18.436 -39.845 1.00 77.97 ? 25 ARG A N 1 -ATOM 130 C CA . ARG A 1 47 ? -44.227 -16.958 -39.847 1.00 72.12 ? 25 ARG A CA 1 -ATOM 131 C C . ARG A 1 47 ? -44.605 -16.309 -38.498 1.00 66.12 ? 25 ARG A C 1 -ATOM 132 O O . ARG A 1 47 ? -43.949 -15.370 -38.054 1.00 65.27 ? 25 ARG A O 1 -ATOM 133 C CB . ARG A 1 47 ? -45.162 -16.453 -40.947 1.00 66.89 ? 25 ARG A CB 1 -ATOM 134 N N . ASN A 1 48 ? -45.666 -16.787 -37.855 1.00 76.47 ? 26 ASN A N 1 -ATOM 135 C CA . ASN A 1 48 ? -46.043 -16.264 -36.538 1.00 71.38 ? 26 ASN A CA 1 -ATOM 136 C C . ASN A 1 48 ? -45.375 -17.056 -35.440 1.00 75.93 ? 26 ASN A C 1 -ATOM 137 O O . ASN A 1 48 ? -45.729 -18.215 -35.197 1.00 67.30 ? 26 ASN A O 1 -ATOM 138 C CB . ASN A 1 48 ? -47.557 -16.300 -36.334 1.00 73.32 ? 26 ASN A CB 1 -ATOM 139 C CG . ASN A 1 48 ? -47.997 -15.607 -35.051 1.00 75.95 ? 26 ASN A CG 1 -ATOM 140 O OD1 . ASN A 1 48 ? -47.183 -15.276 -34.189 1.00 73.37 ? 26 ASN A OD1 1 -ATOM 141 N ND2 . ASN A 1 48 ? -49.301 -15.395 -34.918 1.00 82.71 ? 26 ASN A ND2 1 -ATOM 142 N N . PHE A 1 49 ? -44.453 -16.399 -34.740 1.00 77.29 ? 27 PHE A N 1 -ATOM 143 C CA . PHE A 1 49 ? -43.617 -17.063 -33.744 1.00 61.99 ? 27 PHE A CA 1 -ATOM 144 C C . PHE A 1 49 ? -44.398 -17.485 -32.513 1.00 72.06 ? 27 PHE A C 1 -ATOM 145 O O . PHE A 1 49 ? -44.363 -18.656 -32.116 1.00 70.64 ? 27 PHE A O 1 -ATOM 146 C CB . PHE A 1 49 ? -42.469 -16.153 -33.322 1.00 61.96 ? 27 PHE A CB 1 -ATOM 147 C CG . PHE A 1 49 ? -41.668 -16.687 -32.172 1.00 59.87 ? 27 PHE A CG 1 -ATOM 148 C CD1 . PHE A 1 49 ? -40.747 -17.701 -32.370 1.00 58.12 ? 27 PHE A CD1 1 -ATOM 149 C CD2 . PHE A 1 49 ? -41.823 -16.166 -30.894 1.00 63.64 ? 27 PHE A CD2 1 -ATOM 150 C CE1 . PHE A 1 49 ? -40.009 -18.200 -31.312 1.00 48.06 ? 27 PHE A CE1 1 -ATOM 151 C CE2 . PHE A 1 49 ? -41.083 -16.659 -29.832 1.00 46.39 ? 27 PHE A CE2 1 -ATOM 152 C CZ . PHE A 1 49 ? -40.176 -17.679 -30.044 1.00 49.35 ? 27 PHE A CZ 1 -ATOM 153 N N . SER A 1 50 ? -45.104 -16.535 -31.909 1.00 59.28 ? 28 SER A N 1 -ATOM 154 C CA . SER A 1 50 ? -45.823 -16.808 -30.673 1.00 53.12 ? 28 SER A CA 1 -ATOM 155 C C . SER A 1 50 ? -46.877 -17.893 -30.846 1.00 63.24 ? 28 SER A C 1 -ATOM 156 O O . SER A 1 50 ? -47.139 -18.661 -29.918 1.00 60.91 ? 28 SER A O 1 -ATOM 157 C CB . SER A 1 50 ? -46.462 -15.538 -30.135 1.00 56.23 ? 28 SER A CB 1 -ATOM 158 O OG . SER A 1 50 ? -45.487 -14.759 -29.461 1.00 70.88 ? 28 SER A OG 1 -ATOM 159 N N . ARG A 1 51 ? -47.495 -17.964 -32.016 1.00 64.00 ? 29 ARG A N 1 -ATOM 160 C CA . ARG A 1 51 ? -48.508 -18.993 -32.202 1.00 77.34 ? 29 ARG A CA 1 -ATOM 161 C C . ARG A 1 51 ? -47.862 -20.378 -32.340 1.00 67.37 ? 29 ARG A C 1 -ATOM 162 O O . ARG A 1 51 ? -48.422 -21.370 -31.867 1.00 64.02 ? 29 ARG A O 1 -ATOM 163 C CB . ARG A 1 51 ? -49.408 -18.700 -33.403 1.00 78.00 ? 29 ARG A CB 1 -ATOM 164 C CG . ARG A 1 51 ? -50.509 -19.747 -33.544 1.00 87.28 ? 29 ARG A CG 1 -ATOM 165 C CD . ARG A 1 51 ? -51.516 -19.411 -34.619 1.00 90.04 ? 29 ARG A CD 1 -ATOM 166 N NE . ARG A 1 51 ? -51.034 -18.362 -35.504 1.00 93.38 ? 29 ARG A NE 1 -ATOM 167 C CZ . ARG A 1 51 ? -51.801 -17.388 -35.981 1.00 103.97 ? 29 ARG A CZ 1 -ATOM 168 N NH1 . ARG A 1 51 ? -53.089 -17.343 -35.655 1.00 104.61 ? 29 ARG A NH1 1 -ATOM 169 N NH2 . ARG A 1 51 ? -51.285 -16.463 -36.787 1.00 98.31 ? 29 ARG A NH2 1 -ATOM 170 N N . TYR A 1 52 ? -46.674 -20.455 -32.937 1.00 61.24 ? 30 TYR A N 1 -ATOM 171 C CA . TYR A 1 52 ? -46.027 -21.765 -33.043 1.00 70.19 ? 30 TYR A CA 1 -ATOM 172 C C . TYR A 1 52 ? -45.566 -22.257 -31.659 1.00 68.65 ? 30 TYR A C 1 -ATOM 173 O O . TYR A 1 52 ? -45.611 -23.459 -31.364 1.00 62.36 ? 30 TYR A O 1 -ATOM 174 C CB . TYR A 1 52 ? -44.846 -21.753 -34.015 1.00 71.27 ? 30 TYR A CB 1 -ATOM 175 C CG . TYR A 1 52 ? -44.579 -23.151 -34.543 1.00 67.28 ? 30 TYR A CG 1 -ATOM 176 C CD1 . TYR A 1 52 ? -45.454 -23.740 -35.443 1.00 51.72 ? 30 TYR A CD1 1 -ATOM 177 C CD2 . TYR A 1 52 ? -43.500 -23.904 -34.086 1.00 67.33 ? 30 TYR A CD2 1 -ATOM 178 C CE1 . TYR A 1 52 ? -45.247 -25.026 -35.908 1.00 66.25 ? 30 TYR A CE1 1 -ATOM 179 C CE2 . TYR A 1 52 ? -43.280 -25.201 -34.551 1.00 59.15 ? 30 TYR A CE2 1 -ATOM 180 C CZ . TYR A 1 52 ? -44.160 -25.752 -35.462 1.00 71.45 ? 30 TYR A CZ 1 -ATOM 181 O OH . TYR A 1 52 ? -43.962 -27.034 -35.933 1.00 80.80 ? 30 TYR A OH 1 -ATOM 182 N N . ILE A 1 53 ? -45.104 -21.329 -30.823 1.00 68.44 ? 31 ILE A N 1 -ATOM 183 C CA . ILE A 1 53 ? -44.746 -21.657 -29.446 1.00 64.46 ? 31 ILE A CA 1 -ATOM 184 C C . ILE A 1 53 ? -45.945 -22.187 -28.691 1.00 60.36 ? 31 ILE A C 1 -ATOM 185 O O . ILE A 1 53 ? -45.851 -23.173 -27.959 1.00 56.19 ? 31 ILE A O 1 -ATOM 186 C CB . ILE A 1 53 ? -44.193 -20.442 -28.683 1.00 62.17 ? 31 ILE A CB 1 -ATOM 187 C CG1 . ILE A 1 53 ? -42.880 -19.964 -29.310 1.00 61.56 ? 31 ILE A CG1 1 -ATOM 188 C CG2 . ILE A 1 53 ? -43.980 -20.796 -27.220 1.00 59.07 ? 31 ILE A CG2 1 -ATOM 189 C CD1 . ILE A 1 53 ? -41.807 -21.056 -29.380 1.00 58.39 ? 31 ILE A CD1 1 -ATOM 190 N N . ALA A 1 54 ? -47.080 -21.527 -28.894 1.00 60.43 ? 32 ALA A N 1 -ATOM 191 C CA . ALA A 1 54 ? -48.339 -21.944 -28.292 1.00 63.42 ? 32 ALA A CA 1 -ATOM 192 C C . ALA A 1 54 ? -48.775 -23.316 -28.825 1.00 52.98 ? 32 ALA A C 1 -ATOM 193 O O . ALA A 1 54 ? -49.224 -24.162 -28.067 1.00 59.20 ? 32 ALA A O 1 -ATOM 194 C CB . ALA A 1 54 ? -49.413 -20.901 -28.560 1.00 57.38 ? 32 ALA A CB 1 -ATOM 195 N N . TYR A 1 55 ? -48.608 -23.521 -30.129 1.00 57.33 ? 33 TYR A N 1 -ATOM 196 C CA . TYR A 1 55 ? -48.889 -24.801 -30.777 1.00 67.53 ? 33 TYR A CA 1 -ATOM 197 C C . TYR A 1 55 ? -48.100 -25.959 -30.150 1.00 65.28 ? 33 TYR A C 1 -ATOM 198 O O . TYR A 1 55 ? -48.678 -26.973 -29.763 1.00 63.86 ? 33 TYR A O 1 -ATOM 199 C CB . TYR A 1 55 ? -48.573 -24.720 -32.281 1.00 60.09 ? 33 TYR A CB 1 -ATOM 200 C CG . TYR A 1 55 ? -48.541 -26.077 -32.959 1.00 67.59 ? 33 TYR A CG 1 -ATOM 201 C CD1 . TYR A 1 55 ? -49.723 -26.766 -33.251 1.00 73.76 ? 33 TYR A CD1 1 -ATOM 202 C CD2 . TYR A 1 55 ? -47.331 -26.689 -33.277 1.00 70.17 ? 33 TYR A CD2 1 -ATOM 203 C CE1 . TYR A 1 55 ? -49.698 -28.016 -33.859 1.00 62.61 ? 33 TYR A CE1 1 -ATOM 204 C CE2 . TYR A 1 55 ? -47.294 -27.949 -33.879 1.00 71.80 ? 33 TYR A CE2 1 -ATOM 205 C CZ . TYR A 1 55 ? -48.480 -28.608 -34.165 1.00 75.19 ? 33 TYR A CZ 1 -ATOM 206 O OH . TYR A 1 55 ? -48.445 -29.856 -34.762 1.00 67.89 ? 33 TYR A OH 1 -ATOM 207 N N . ILE A 1 56 ? -46.787 -25.806 -30.016 1.00 62.59 ? 34 ILE A N 1 -ATOM 208 C CA . ILE A 1 56 ? -45.985 -26.900 -29.482 1.00 54.26 ? 34 ILE A CA 1 -ATOM 209 C C . ILE A 1 56 ? -46.246 -27.159 -27.999 1.00 58.46 ? 34 ILE A C 1 -ATOM 210 O O . ILE A 1 56 ? -45.935 -28.234 -27.481 1.00 56.50 ? 34 ILE A O 1 -ATOM 211 C CB . ILE A 1 56 ? -44.486 -26.665 -29.709 1.00 52.70 ? 34 ILE A CB 1 -ATOM 212 C CG1 . ILE A 1 56 ? -43.944 -25.524 -28.864 1.00 54.06 ? 34 ILE A CG1 1 -ATOM 213 C CG2 . ILE A 1 56 ? -44.217 -26.415 -31.166 1.00 56.98 ? 34 ILE A CG2 1 -ATOM 214 C CD1 . ILE A 1 56 ? -42.465 -25.276 -29.128 1.00 55.69 ? 34 ILE A CD1 1 -ATOM 215 N N . GLU A 1 57 ? -46.809 -26.183 -27.300 1.00 59.62 ? 35 GLU A N 1 -ATOM 216 C CA . GLU A 1 57 ? -47.196 -26.415 -25.911 1.00 54.05 ? 35 GLU A CA 1 -ATOM 217 C C . GLU A 1 57 ? -48.526 -27.203 -25.838 1.00 56.12 ? 35 GLU A C 1 -ATOM 218 O O . GLU A 1 57 ? -48.777 -27.947 -24.888 1.00 46.61 ? 35 GLU A O 1 -ATOM 219 C CB . GLU A 1 57 ? -47.298 -25.084 -25.177 1.00 56.63 ? 35 GLU A CB 1 -ATOM 220 C CG . GLU A 1 57 ? -45.926 -24.400 -24.992 1.00 64.60 ? 35 GLU A CG 1 -ATOM 221 C CD . GLU A 1 57 ? -45.869 -23.483 -23.784 1.00 57.01 ? 35 GLU A CD 1 -ATOM 222 O OE1 . GLU A 1 57 ? -46.948 -23.129 -23.269 1.00 60.54 ? 35 GLU A OE1 1 -ATOM 223 O OE2 . GLU A 1 57 ? -44.750 -23.122 -23.341 1.00 57.12 ? 35 GLU A OE2 1 -ATOM 224 N N . SER A 1 58 ? -49.357 -27.074 -26.867 1.00 54.54 ? 36 SER A N 1 -ATOM 225 C CA . SER A 1 58 ? -50.582 -27.871 -26.929 1.00 67.45 ? 36 SER A CA 1 -ATOM 226 C C . SER A 1 58 ? -50.225 -29.311 -27.267 1.00 56.72 ? 36 SER A C 1 -ATOM 227 O O . SER A 1 58 ? -50.987 -30.232 -27.007 1.00 54.70 ? 36 SER A O 1 -ATOM 228 C CB . SER A 1 58 ? -51.538 -27.330 -27.978 1.00 58.02 ? 36 SER A CB 1 -ATOM 229 O OG . SER A 1 58 ? -50.902 -27.322 -29.243 1.00 66.79 ? 36 SER A OG 1 -ATOM 230 N N . GLN A 1 59 ? -49.042 -29.484 -27.840 1.00 61.72 ? 37 GLN A N 1 -ATOM 231 C CA . GLN A 1 59 ? -48.489 -30.799 -28.091 1.00 61.27 ? 37 GLN A CA 1 -ATOM 232 C C . GLN A 1 59 ? -47.688 -31.326 -26.909 1.00 62.55 ? 37 GLN A C 1 -ATOM 233 O O . GLN A 1 59 ? -47.118 -32.412 -26.997 1.00 65.95 ? 37 GLN A O 1 -ATOM 234 C CB . GLN A 1 59 ? -47.609 -30.769 -29.342 1.00 69.54 ? 37 GLN A CB 1 -ATOM 235 C CG . GLN A 1 59 ? -48.267 -30.145 -30.566 1.00 68.35 ? 37 GLN A CG 1 -ATOM 236 C CD . GLN A 1 59 ? -49.475 -30.931 -31.043 1.00 64.61 ? 37 GLN A CD 1 -ATOM 237 O OE1 . GLN A 1 59 ? -50.477 -31.053 -30.339 1.00 71.25 ? 37 GLN A OE1 1 -ATOM 238 N NE2 . GLN A 1 59 ? -49.375 -31.484 -32.241 1.00 56.30 ? 37 GLN A NE2 1 -ATOM 239 N N . GLY A 1 60 ? -47.612 -30.548 -25.827 1.00 62.89 ? 38 GLY A N 1 -ATOM 240 C CA . GLY A 1 60 ? -46.921 -30.972 -24.613 1.00 53.27 ? 38 GLY A CA 1 -ATOM 241 C C . GLY A 1 60 ? -45.391 -30.930 -24.656 1.00 55.43 ? 38 GLY A C 1 -ATOM 242 O O . GLY A 1 60 ? -44.731 -31.485 -23.772 1.00 51.79 ? 38 GLY A O 1 -ATOM 243 N N . ALA A 1 61 ? -44.827 -30.299 -25.687 1.00 51.33 ? 39 ALA A N 1 -ATOM 244 C CA . ALA A 1 61 ? -43.373 -30.145 -25.815 1.00 53.83 ? 39 ALA A CA 1 -ATOM 245 C C . ALA A 1 61 ? -42.744 -29.577 -24.553 1.00 55.42 ? 39 ALA A C 1 -ATOM 246 O O . ALA A 1 61 ? -41.613 -29.933 -24.190 1.00 56.81 ? 39 ALA A O 1 -ATOM 247 C CB . ALA A 1 61 ? -43.026 -29.249 -27.007 1.00 52.90 ? 39 ALA A CB 1 -ATOM 248 N N . HIS A 1 62 ? -43.500 -28.737 -23.855 1.00 44.73 ? 40 HIS A N 1 -ATOM 249 C CA . HIS A 1 62 ? -42.960 -27.996 -22.729 1.00 45.89 ? 40 HIS A CA 1 -ATOM 250 C C . HIS A 1 62 ? -42.692 -28.907 -21.552 1.00 51.46 ? 40 HIS A C 1 -ATOM 251 O O . HIS A 1 62 ? -41.955 -28.536 -20.641 1.00 52.54 ? 40 HIS A O 1 -ATOM 252 C CB . HIS A 1 62 ? -43.915 -26.861 -22.321 1.00 54.24 ? 40 HIS A CB 1 -ATOM 253 C CG . HIS A 1 62 ? -45.283 -27.332 -21.931 1.00 46.90 ? 40 HIS A CG 1 -ATOM 254 N ND1 . HIS A 1 62 ? -46.193 -27.809 -22.849 1.00 52.59 ? 40 HIS A ND1 1 -ATOM 255 C CD2 . HIS A 1 62 ? -45.883 -27.431 -20.722 1.00 57.13 ? 40 HIS A CD2 1 -ATOM 256 C CE1 . HIS A 1 62 ? -47.311 -28.146 -22.227 1.00 47.12 ? 40 HIS A CE1 1 -ATOM 257 N NE2 . HIS A 1 62 ? -47.145 -27.937 -20.934 1.00 55.64 ? 40 HIS A NE2 1 -ATOM 258 N N . ARG A 1 63 ? -43.274 -30.104 -21.574 1.00 50.69 ? 41 ARG A N 1 -ATOM 259 C CA . ARG A 1 63 ? -43.150 -31.016 -20.445 1.00 50.63 ? 41 ARG A CA 1 -ATOM 260 C C . ARG A 1 63 ? -41.733 -31.575 -20.360 1.00 47.28 ? 41 ARG A C 1 -ATOM 261 O O . ARG A 1 63 ? -41.319 -32.058 -19.303 1.00 55.95 ? 41 ARG A O 1 -ATOM 262 C CB . ARG A 1 63 ? -44.185 -32.159 -20.515 1.00 50.69 ? 41 ARG A CB 1 -ATOM 263 C CG . ARG A 1 63 ? -45.640 -31.669 -20.430 1.00 66.97 ? 41 ARG A CG 1 -ATOM 264 C CD . ARG A 1 63 ? -46.687 -32.788 -20.259 1.00 49.88 ? 41 ARG A CD 1 -ATOM 265 N NE . ARG A 1 63 ? -46.514 -33.506 -19.002 1.00 57.42 ? 41 ARG A NE 1 -ATOM 266 C CZ . ARG A 1 63 ? -47.211 -34.585 -18.662 1.00 64.98 ? 41 ARG A CZ 1 -ATOM 267 N NH1 . ARG A 1 63 ? -48.131 -35.064 -19.487 1.00 66.08 ? 41 ARG A NH1 1 -ATOM 268 N NH2 . ARG A 1 63 ? -46.996 -35.176 -17.494 1.00 57.62 ? 41 ARG A NH2 1 -ATOM 269 N N . ALA A 1 64 ? -40.998 -31.546 -21.465 1.00 36.57 ? 42 ALA A N 1 -ATOM 270 C CA . ALA A 1 64 ? -39.582 -31.977 -21.444 1.00 46.51 ? 42 ALA A CA 1 -ATOM 271 C C . ALA A 1 64 ? -38.621 -30.861 -21.008 1.00 43.98 ? 42 ALA A C 1 -ATOM 272 O O . ALA A 1 64 ? -37.477 -31.129 -20.656 1.00 47.66 ? 42 ALA A O 1 -ATOM 273 C CB . ALA A 1 64 ? -39.155 -32.501 -22.804 1.00 37.72 ? 42 ALA A CB 1 -ATOM 274 N N . GLY A 1 65 ? -39.071 -29.609 -21.059 1.00 50.43 ? 43 GLY A N 1 -ATOM 275 C CA . GLY A 1 65 ? -38.224 -28.484 -20.680 1.00 48.32 ? 43 GLY A CA 1 -ATOM 276 C C . GLY A 1 65 ? -37.439 -27.962 -21.864 1.00 50.70 ? 43 GLY A C 1 -ATOM 277 O O . GLY A 1 65 ? -36.857 -26.871 -21.811 1.00 46.22 ? 43 GLY A O 1 -ATOM 278 N N . LEU A 1 66 ? -37.465 -28.727 -22.954 1.00 46.60 ? 44 LEU A N 1 -ATOM 279 C CA . LEU A 1 66 ? -36.636 -28.447 -24.123 1.00 40.36 ? 44 LEU A CA 1 -ATOM 280 C C . LEU A 1 66 ? -37.236 -29.061 -25.378 1.00 47.85 ? 44 LEU A C 1 -ATOM 281 O O . LEU A 1 66 ? -37.622 -30.230 -25.374 1.00 52.86 ? 44 LEU A O 1 -ATOM 282 C CB . LEU A 1 66 ? -35.230 -29.007 -23.884 1.00 47.44 ? 44 LEU A CB 1 -ATOM 283 C CG . LEU A 1 66 ? -34.079 -28.769 -24.845 1.00 45.32 ? 44 LEU A CG 1 -ATOM 284 C CD1 . LEU A 1 66 ? -33.741 -27.310 -24.918 1.00 50.58 ? 44 LEU A CD1 1 -ATOM 285 C CD2 . LEU A 1 66 ? -32.847 -29.585 -24.380 1.00 43.70 ? 44 LEU A CD2 1 -ATOM 286 N N . ALA A 1 67 ? -37.283 -28.292 -26.460 1.00 48.93 ? 45 ALA A N 1 -ATOM 287 C CA . ALA A 1 67 ? -37.802 -28.782 -27.733 1.00 40.37 ? 45 ALA A CA 1 -ATOM 288 C C . ALA A 1 67 ? -36.908 -28.279 -28.852 1.00 50.29 ? 45 ALA A C 1 -ATOM 289 O O . ALA A 1 67 ? -36.360 -27.181 -28.768 1.00 49.09 ? 45 ALA A O 1 -ATOM 290 C CB . ALA A 1 67 ? -39.246 -28.320 -27.944 1.00 37.70 ? 45 ALA A CB 1 -ATOM 291 N N . LYS A 1 68 ? -36.789 -29.059 -29.918 1.00 52.16 ? 46 LYS A N 1 -ATOM 292 C CA . LYS A 1 68 ? -35.987 -28.645 -31.072 1.00 56.90 ? 46 LYS A CA 1 -ATOM 293 C C . LYS A 1 68 ? -36.886 -28.291 -32.228 1.00 55.77 ? 46 LYS A C 1 -ATOM 294 O O . LYS A 1 68 ? -37.865 -28.980 -32.469 1.00 50.41 ? 46 LYS A O 1 -ATOM 295 C CB . LYS A 1 68 ? -35.037 -29.755 -31.515 1.00 53.49 ? 46 LYS A CB 1 -ATOM 296 C CG . LYS A 1 68 ? -34.332 -29.435 -32.813 1.00 52.49 ? 46 LYS A CG 1 -ATOM 297 C CD . LYS A 1 68 ? -33.764 -30.688 -33.448 1.00 64.42 ? 46 LYS A CD 1 -ATOM 298 C CE . LYS A 1 68 ? -32.722 -31.309 -32.553 1.00 57.19 ? 46 LYS A CE 1 -ATOM 299 N NZ . LYS A 1 68 ? -32.015 -32.429 -33.226 1.00 68.34 ? 46 LYS A NZ 1 -ATOM 300 N N . VAL A 1 69 ? -36.562 -27.229 -32.960 1.00 55.25 ? 47 VAL A N 1 -ATOM 301 C CA . VAL A 1 69 ? -37.417 -26.863 -34.075 1.00 52.81 ? 47 VAL A CA 1 -ATOM 302 C C . VAL A 1 69 ? -36.620 -26.700 -35.336 1.00 60.74 ? 47 VAL A C 1 -ATOM 303 O O . VAL A 1 69 ? -35.653 -25.936 -35.373 1.00 58.22 ? 47 VAL A O 1 -ATOM 304 C CB . VAL A 1 69 ? -38.185 -25.574 -33.804 1.00 52.78 ? 47 VAL A CB 1 -ATOM 305 C CG1 . VAL A 1 69 ? -38.914 -25.151 -35.056 1.00 56.53 ? 47 VAL A CG1 1 -ATOM 306 C CG2 . VAL A 1 69 ? -39.173 -25.798 -32.692 1.00 57.08 ? 47 VAL A CG2 1 -ATOM 307 N N . VAL A 1 70 ? -37.019 -27.430 -36.372 1.00 62.43 ? 48 VAL A N 1 -ATOM 308 C CA . VAL A 1 70 ? -36.303 -27.378 -37.639 1.00 67.44 ? 48 VAL A CA 1 -ATOM 309 C C . VAL A 1 70 ? -37.068 -26.540 -38.664 1.00 68.01 ? 48 VAL A C 1 -ATOM 310 O O . VAL A 1 70 ? -38.180 -26.900 -39.064 1.00 77.16 ? 48 VAL A O 1 -ATOM 311 C CB . VAL A 1 70 ? -36.057 -28.798 -38.182 1.00 69.81 ? 48 VAL A CB 1 -ATOM 312 C CG1 . VAL A 1 70 ? -35.117 -28.755 -39.379 1.00 65.81 ? 48 VAL A CG1 1 -ATOM 313 C CG2 . VAL A 1 70 ? -35.496 -29.678 -37.069 1.00 59.97 ? 48 VAL A CG2 1 -ATOM 314 N N . PRO A 1 71 ? -36.478 -25.407 -39.078 1.00 64.51 ? 49 PRO A N 1 -ATOM 315 C CA . PRO A 1 71 ? -37.156 -24.500 -40.005 1.00 69.35 ? 49 PRO A CA 1 -ATOM 316 C C . PRO A 1 71 ? -37.236 -25.113 -41.392 1.00 80.80 ? 49 PRO A C 1 -ATOM 317 O O . PRO A 1 71 ? -36.437 -26.003 -41.689 1.00 84.37 ? 49 PRO A O 1 -ATOM 318 C CB . PRO A 1 71 ? -36.262 -23.251 -39.998 1.00 59.58 ? 49 PRO A CB 1 -ATOM 319 C CG . PRO A 1 71 ? -34.928 -23.748 -39.605 1.00 63.12 ? 49 PRO A CG 1 -ATOM 320 C CD . PRO A 1 71 ? -35.156 -24.898 -38.673 1.00 62.90 ? 49 PRO A CD 1 -ATOM 321 N N . PRO A 1 72 ? -38.190 -24.659 -42.223 1.00 82.20 ? 50 PRO A N 1 -ATOM 322 C CA . PRO A 1 72 ? -38.289 -25.200 -43.579 1.00 77.42 ? 50 PRO A CA 1 -ATOM 323 C C . PRO A 1 72 ? -36.990 -24.952 -44.322 1.00 82.48 ? 50 PRO A C 1 -ATOM 324 O O . PRO A 1 72 ? -36.309 -23.970 -44.010 1.00 74.70 ? 50 PRO A O 1 -ATOM 325 C CB . PRO A 1 72 ? -39.442 -24.408 -44.196 1.00 84.04 ? 50 PRO A CB 1 -ATOM 326 C CG . PRO A 1 72 ? -40.219 -23.877 -43.021 1.00 76.91 ? 50 PRO A CG 1 -ATOM 327 C CD . PRO A 1 72 ? -39.197 -23.612 -41.971 1.00 83.66 ? 50 PRO A CD 1 -ATOM 328 N N . LYS A 1 73 ? -36.674 -25.805 -45.296 1.00 88.02 ? 51 LYS A N 1 -ATOM 329 C CA . LYS A 1 73 ? -35.439 -25.688 -46.074 1.00 87.98 ? 51 LYS A CA 1 -ATOM 330 C C . LYS A 1 73 ? -35.435 -24.401 -46.898 1.00 87.77 ? 51 LYS A C 1 -ATOM 331 O O . LYS A 1 73 ? -34.381 -23.917 -47.323 1.00 81.72 ? 51 LYS A O 1 -ATOM 332 C CB . LYS A 1 73 ? -35.257 -26.908 -46.983 1.00 77.57 ? 51 LYS A CB 1 -ATOM 333 N N . GLU A 1 74 ? -36.627 -23.849 -47.105 1.00 82.55 ? 52 GLU A N 1 -ATOM 334 C CA . GLU A 1 74 ? -36.790 -22.629 -47.874 1.00 87.07 ? 52 GLU A CA 1 -ATOM 335 C C . GLU A 1 74 ? -36.299 -21.397 -47.112 1.00 85.55 ? 52 GLU A C 1 -ATOM 336 O O . GLU A 1 74 ? -36.248 -20.305 -47.675 1.00 91.69 ? 52 GLU A O 1 -ATOM 337 C CB . GLU A 1 74 ? -38.265 -22.455 -48.262 1.00 82.24 ? 52 GLU A CB 1 -ATOM 338 N N . TRP A 1 75 ? -35.914 -21.579 -45.847 1.00 87.76 ? 53 TRP A N 1 -ATOM 339 C CA . TRP A 1 75 ? -35.585 -20.449 -44.967 1.00 87.30 ? 53 TRP A CA 1 -ATOM 340 C C . TRP A 1 75 ? -34.100 -20.314 -44.616 1.00 86.70 ? 53 TRP A C 1 -ATOM 341 O O . TRP A 1 75 ? -33.399 -21.306 -44.415 1.00 91.03 ? 53 TRP A O 1 -ATOM 342 C CB . TRP A 1 75 ? -36.395 -20.545 -43.671 1.00 82.13 ? 53 TRP A CB 1 -ATOM 343 C CG . TRP A 1 75 ? -36.176 -19.382 -42.743 1.00 86.26 ? 53 TRP A CG 1 -ATOM 344 C CD1 . TRP A 1 75 ? -36.769 -18.155 -42.812 1.00 83.02 ? 53 TRP A CD1 1 -ATOM 345 C CD2 . TRP A 1 75 ? -35.313 -19.345 -41.596 1.00 87.05 ? 53 TRP A CD2 1 -ATOM 346 N NE1 . TRP A 1 75 ? -36.325 -17.354 -41.783 1.00 82.67 ? 53 TRP A NE1 1 -ATOM 347 C CE2 . TRP A 1 75 ? -35.434 -18.062 -41.023 1.00 79.06 ? 53 TRP A CE2 1 -ATOM 348 C CE3 . TRP A 1 75 ? -34.451 -20.272 -41.000 1.00 81.93 ? 53 TRP A CE3 1 -ATOM 349 C CZ2 . TRP A 1 75 ? -34.722 -17.681 -39.893 1.00 73.12 ? 53 TRP A CZ2 1 -ATOM 350 C CZ3 . TRP A 1 75 ? -33.741 -19.889 -39.878 1.00 78.44 ? 53 TRP A CZ3 1 -ATOM 351 C CH2 . TRP A 1 75 ? -33.883 -18.606 -39.335 1.00 78.12 ? 53 TRP A CH2 1 -ATOM 352 N N . LYS A 1 76 ? -33.627 -19.074 -44.549 1.00 81.59 ? 54 LYS A N 1 -ATOM 353 C CA . LYS A 1 76 ? -32.249 -18.805 -44.147 1.00 86.69 ? 54 LYS A CA 1 -ATOM 354 C C . LYS A 1 76 ? -32.108 -17.379 -43.601 1.00 84.40 ? 54 LYS A C 1 -ATOM 355 O O . LYS A 1 76 ? -32.545 -16.421 -44.238 1.00 85.07 ? 54 LYS A O 1 -ATOM 356 C CB . LYS A 1 76 ? -31.291 -19.032 -45.320 1.00 85.06 ? 54 LYS A CB 1 -ATOM 357 N N . PRO A 1 77 ? -31.482 -17.238 -42.421 1.00 84.96 ? 55 PRO A N 1 -ATOM 358 C CA . PRO A 1 77 ? -31.394 -15.953 -41.712 1.00 75.77 ? 55 PRO A CA 1 -ATOM 359 C C . PRO A 1 77 ? -30.286 -15.030 -42.209 1.00 73.08 ? 55 PRO A C 1 -ATOM 360 O O . PRO A 1 77 ? -30.274 -13.858 -41.829 1.00 72.85 ? 55 PRO A O 1 -ATOM 361 C CB . PRO A 1 77 ? -31.129 -16.375 -40.264 1.00 78.25 ? 55 PRO A CB 1 -ATOM 362 C CG . PRO A 1 77 ? -30.387 -17.672 -40.386 1.00 82.61 ? 55 PRO A CG 1 -ATOM 363 C CD . PRO A 1 77 ? -30.909 -18.350 -41.636 1.00 79.06 ? 55 PRO A CD 1 -ATOM 364 N N . ARG A 1 78 ? -29.355 -15.548 -43.007 1.00 76.78 ? 56 ARG A N 1 -ATOM 365 C CA . ARG A 1 78 ? -28.250 -14.728 -43.506 1.00 77.35 ? 56 ARG A CA 1 -ATOM 366 C C . ARG A 1 78 ? -27.637 -15.349 -44.753 1.00 84.01 ? 56 ARG A C 1 -ATOM 367 O O . ARG A 1 78 ? -27.478 -16.568 -44.831 1.00 83.03 ? 56 ARG A O 1 -ATOM 368 C CB . ARG A 1 78 ? -27.168 -14.554 -42.439 1.00 75.12 ? 56 ARG A CB 1 -ATOM 369 C CG . ARG A 1 78 ? -26.070 -13.578 -42.818 1.00 71.68 ? 56 ARG A CG 1 -ATOM 370 C CD . ARG A 1 78 ? -24.929 -13.644 -41.830 1.00 75.99 ? 56 ARG A CD 1 -ATOM 371 N NE . ARG A 1 78 ? -23.895 -12.647 -42.090 1.00 75.93 ? 56 ARG A NE 1 -ATOM 372 C CZ . ARG A 1 78 ? -23.873 -11.445 -41.521 1.00 80.74 ? 56 ARG A CZ 1 -ATOM 373 N NH1 . ARG A 1 78 ? -24.835 -11.092 -40.674 1.00 71.56 ? 56 ARG A NH1 1 -ATOM 374 N NH2 . ARG A 1 78 ? -22.895 -10.592 -41.798 1.00 87.15 ? 56 ARG A NH2 1 -ATOM 375 N N . ALA A 1 79 ? -27.275 -14.487 -45.705 1.00 91.71 ? 57 ALA A N 1 -ATOM 376 C CA . ALA A 1 79 ? -26.686 -14.881 -46.984 1.00 83.37 ? 57 ALA A CA 1 -ATOM 377 C C . ALA A 1 79 ? -25.447 -15.757 -46.808 1.00 84.00 ? 57 ALA A C 1 -ATOM 378 O O . ALA A 1 79 ? -25.454 -16.938 -47.159 1.00 89.05 ? 57 ALA A O 1 -ATOM 379 C CB . ALA A 1 79 ? -26.341 -13.648 -47.792 1.00 85.17 ? 57 ALA A CB 1 -ATOM 380 N N . SER A 1 80 ? -24.380 -15.170 -46.276 1.00 82.98 ? 58 SER A N 1 -ATOM 381 C CA . SER A 1 80 ? -23.193 -15.945 -45.933 1.00 87.51 ? 58 SER A CA 1 -ATOM 382 C C . SER A 1 80 ? -22.454 -15.400 -44.705 1.00 87.26 ? 58 SER A C 1 -ATOM 383 O O . SER A 1 80 ? -22.484 -14.196 -44.411 1.00 77.59 ? 58 SER A O 1 -ATOM 384 C CB . SER A 1 80 ? -22.238 -16.002 -47.126 1.00 87.95 ? 58 SER A CB 1 -ATOM 385 O OG . SER A 1 80 ? -21.318 -14.927 -47.085 1.00 87.01 ? 58 SER A OG 1 -ATOM 386 N N . TYR A 1 81 ? -21.771 -16.310 -44.015 1.00 87.35 ? 59 TYR A N 1 -ATOM 387 C CA . TYR A 1 81 ? -20.999 -15.998 -42.815 1.00 83.38 ? 59 TYR A CA 1 -ATOM 388 C C . TYR A 1 81 ? -19.513 -15.820 -43.152 1.00 88.98 ? 59 TYR A C 1 -ATOM 389 O O . TYR A 1 81 ? -18.704 -16.676 -42.807 1.00 86.44 ? 59 TYR A O 1 -ATOM 390 C CB . TYR A 1 81 ? -21.172 -17.113 -41.771 1.00 68.97 ? 59 TYR A CB 1 -ATOM 391 C CG . TYR A 1 81 ? -22.618 -17.493 -41.478 1.00 65.29 ? 59 TYR A CG 1 -ATOM 392 C CD1 . TYR A 1 81 ? -23.416 -16.721 -40.642 1.00 66.66 ? 59 TYR A CD1 1 -ATOM 393 C CD2 . TYR A 1 81 ? -23.183 -18.628 -42.045 1.00 69.91 ? 59 TYR A CD2 1 -ATOM 394 C CE1 . TYR A 1 81 ? -24.735 -17.069 -40.376 1.00 61.09 ? 59 TYR A CE1 1 -ATOM 395 C CE2 . TYR A 1 81 ? -24.496 -18.983 -41.789 1.00 66.08 ? 59 TYR A CE2 1 -ATOM 396 C CZ . TYR A 1 81 ? -25.270 -18.203 -40.952 1.00 66.96 ? 59 TYR A CZ 1 -ATOM 397 O OH . TYR A 1 81 ? -26.578 -18.570 -40.695 1.00 63.90 ? 59 TYR A OH 1 -ATOM 398 N N . ASP A 1 82 ? -19.161 -14.727 -43.835 1.00 85.30 ? 60 ASP A N 1 -ATOM 399 C CA . ASP A 1 82 ? -17.788 -14.512 -44.315 1.00 84.33 ? 60 ASP A CA 1 -ATOM 400 C C . ASP A 1 82 ? -17.204 -13.224 -43.766 1.00 84.64 ? 60 ASP A C 1 -ATOM 401 O O . ASP A 1 82 ? -15.989 -13.087 -43.622 1.00 85.55 ? 60 ASP A O 1 -ATOM 402 C CB . ASP A 1 82 ? -17.732 -14.501 -45.843 1.00 89.96 ? 60 ASP A CB 1 -ATOM 403 C CG . ASP A 1 82 ? -18.452 -15.693 -46.465 1.00 99.98 ? 60 ASP A CG 1 -ATOM 404 O OD1 . ASP A 1 82 ? -18.418 -16.800 -45.870 1.00 96.43 ? 60 ASP A OD1 1 -ATOM 405 O OD2 . ASP A 1 82 ? -19.050 -15.524 -47.551 1.00 96.45 ? 60 ASP A OD2 1 -ATOM 406 N N . ASP A 1 83 ? -18.088 -12.278 -43.486 1.00 85.24 ? 61 ASP A N 1 -ATOM 407 C CA . ASP A 1 83 ? -17.724 -11.003 -42.888 1.00 86.61 ? 61 ASP A CA 1 -ATOM 408 C C . ASP A 1 83 ? -17.122 -11.219 -41.505 1.00 85.07 ? 61 ASP A C 1 -ATOM 409 O O . ASP A 1 83 ? -16.395 -10.366 -40.974 1.00 78.15 ? 61 ASP A O 1 -ATOM 410 C CB . ASP A 1 83 ? -18.952 -10.091 -42.787 1.00 87.41 ? 61 ASP A CB 1 -ATOM 411 N N . ILE A 1 84 ? -17.427 -12.382 -40.939 1.00 78.01 ? 62 ILE A N 1 -ATOM 412 C CA . ILE A 1 84 ? -17.334 -12.596 -39.506 1.00 65.99 ? 62 ILE A CA 1 -ATOM 413 C C . ILE A 1 84 ? -15.917 -12.647 -38.951 1.00 73.59 ? 62 ILE A C 1 -ATOM 414 O O . ILE A 1 84 ? -15.700 -12.255 -37.807 1.00 74.42 ? 62 ILE A O 1 -ATOM 415 C CB . ILE A 1 84 ? -18.052 -13.920 -39.147 1.00 72.09 ? 62 ILE A CB 1 -ATOM 416 C CG1 . ILE A 1 84 ? -19.353 -14.043 -39.939 1.00 78.08 ? 62 ILE A CG1 1 -ATOM 417 C CG2 . ILE A 1 84 ? -18.321 -14.031 -37.660 1.00 72.56 ? 62 ILE A CG2 1 -ATOM 418 C CD1 . ILE A 1 84 ? -20.267 -12.820 -39.836 1.00 78.29 ? 62 ILE A CD1 1 -ATOM 419 N N . ASP A 1 85 ? -14.942 -13.035 -39.770 1.00 69.71 ? 63 ASP A N 1 -ATOM 420 C CA . ASP A 1 85 ? -13.574 -13.210 -39.278 1.00 69.13 ? 63 ASP A CA 1 -ATOM 421 C C . ASP A 1 85 ? -12.995 -11.959 -38.601 1.00 77.84 ? 63 ASP A C 1 -ATOM 422 O O . ASP A 1 85 ? -12.090 -12.057 -37.779 1.00 79.97 ? 63 ASP A O 1 -ATOM 423 C CB . ASP A 1 85 ? -12.658 -13.646 -40.422 1.00 85.20 ? 63 ASP A CB 1 -ATOM 424 N N . ASP A 1 86 ? -13.531 -10.786 -38.926 1.00 77.89 ? 64 ASP A N 1 -ATOM 425 C CA . ASP A 1 86 ? -13.001 -9.552 -38.372 1.00 67.84 ? 64 ASP A CA 1 -ATOM 426 C C . ASP A 1 86 ? -13.742 -9.147 -37.107 1.00 68.72 ? 64 ASP A C 1 -ATOM 427 O O . ASP A 1 86 ? -13.325 -8.238 -36.393 1.00 77.84 ? 64 ASP A O 1 -ATOM 428 C CB . ASP A 1 86 ? -13.084 -8.428 -39.415 1.00 78.55 ? 64 ASP A CB 1 -ATOM 429 N N . LEU A 1 87 ? -14.820 -9.858 -36.804 1.00 77.89 ? 65 LEU A N 1 -ATOM 430 C CA . LEU A 1 87 ? -15.633 -9.548 -35.630 1.00 70.07 ? 65 LEU A CA 1 -ATOM 431 C C . LEU A 1 87 ? -14.905 -9.845 -34.317 1.00 73.30 ? 65 LEU A C 1 -ATOM 432 O O . LEU A 1 87 ? -14.215 -10.862 -34.187 1.00 74.49 ? 65 LEU A O 1 -ATOM 433 C CB . LEU A 1 87 ? -16.952 -10.318 -35.700 1.00 65.09 ? 65 LEU A CB 1 -ATOM 434 C CG . LEU A 1 87 ? -17.912 -10.255 -34.512 1.00 73.85 ? 65 LEU A CG 1 -ATOM 435 C CD1 . LEU A 1 87 ? -18.367 -8.834 -34.222 1.00 76.06 ? 65 LEU A CD1 1 -ATOM 436 C CD2 . LEU A 1 87 ? -19.106 -11.141 -34.811 1.00 72.93 ? 65 LEU A CD2 1 -ATOM 437 N N . VAL A 1 88 ? -15.105 -8.975 -33.333 1.00 67.72 ? 66 VAL A N 1 -ATOM 438 C CA . VAL A 1 88 ? -14.423 -9.082 -32.050 1.00 64.50 ? 66 VAL A CA 1 -ATOM 439 C C . VAL A 1 88 ? -15.215 -9.776 -30.933 1.00 75.76 ? 66 VAL A C 1 -ATOM 440 O O . VAL A 1 88 ? -16.417 -9.549 -30.750 1.00 65.09 ? 66 VAL A O 1 -ATOM 441 C CB . VAL A 1 88 ? -14.052 -7.692 -31.524 1.00 73.21 ? 66 VAL A CB 1 -ATOM 442 C CG1 . VAL A 1 88 ? -13.163 -7.811 -30.295 1.00 74.63 ? 66 VAL A CG1 1 -ATOM 443 C CG2 . VAL A 1 88 ? -13.384 -6.865 -32.617 1.00 71.69 ? 66 VAL A CG2 1 -ATOM 444 N N . ILE A 1 89 ? -14.511 -10.640 -30.204 1.00 71.72 ? 67 ILE A N 1 -ATOM 445 C CA . ILE A 1 89 ? -14.986 -11.210 -28.955 1.00 62.76 ? 67 ILE A CA 1 -ATOM 446 C C . ILE A 1 89 ? -14.374 -10.437 -27.795 1.00 66.23 ? 67 ILE A C 1 -ATOM 447 O O . ILE A 1 89 ? -13.206 -10.622 -27.468 1.00 72.57 ? 67 ILE A O 1 -ATOM 448 C CB . ILE A 1 89 ? -14.617 -12.679 -28.834 1.00 60.79 ? 67 ILE A CB 1 -ATOM 449 C CG1 . ILE A 1 89 ? -15.193 -13.467 -30.003 1.00 56.21 ? 67 ILE A CG1 1 -ATOM 450 C CG2 . ILE A 1 89 ? -15.113 -13.233 -27.529 1.00 63.86 ? 67 ILE A CG2 1 -ATOM 451 C CD1 . ILE A 1 89 ? -14.568 -14.839 -30.147 1.00 58.06 ? 67 ILE A CD1 1 -ATOM 452 N N . PRO A 1 90 ? -15.160 -9.558 -27.168 1.00 66.62 ? 68 PRO A N 1 -ATOM 453 C CA . PRO A 1 90 ? -14.615 -8.610 -26.193 1.00 64.69 ? 68 PRO A CA 1 -ATOM 454 C C . PRO A 1 90 ? -14.024 -9.313 -24.984 1.00 73.58 ? 68 PRO A C 1 -ATOM 455 O O . PRO A 1 90 ? -13.022 -8.853 -24.432 1.00 73.09 ? 68 PRO A O 1 -ATOM 456 C CB . PRO A 1 90 ? -15.833 -7.768 -25.789 1.00 56.83 ? 68 PRO A CB 1 -ATOM 457 C CG . PRO A 1 90 ? -16.867 -8.057 -26.810 1.00 66.36 ? 68 PRO A CG 1 -ATOM 458 C CD . PRO A 1 90 ? -16.618 -9.447 -27.284 1.00 66.80 ? 68 PRO A CD 1 -ATOM 459 N N . ALA A 1 91 ? -14.665 -10.402 -24.562 1.00 75.78 ? 69 ALA A N 1 -ATOM 460 C CA . ALA A 1 91 ? -14.306 -11.062 -23.315 1.00 67.95 ? 69 ALA A CA 1 -ATOM 461 C C . ALA A 1 91 ? -14.255 -12.584 -23.445 1.00 65.94 ? 69 ALA A C 1 -ATOM 462 O O . ALA A 1 91 ? -15.169 -13.272 -22.996 1.00 62.71 ? 69 ALA A O 1 -ATOM 463 C CB . ALA A 1 91 ? -15.291 -10.656 -22.226 1.00 69.17 ? 69 ALA A CB 1 -ATOM 464 N N . PRO A 1 92 ? -13.210 -13.124 -24.094 1.00 74.09 ? 70 PRO A N 1 -ATOM 465 C CA . PRO A 1 92 ? -13.113 -14.592 -24.135 1.00 66.24 ? 70 PRO A CA 1 -ATOM 466 C C . PRO A 1 92 ? -12.981 -15.190 -22.724 1.00 67.95 ? 70 PRO A C 1 -ATOM 467 O O . PRO A 1 92 ? -12.270 -14.626 -21.887 1.00 65.20 ? 70 PRO A O 1 -ATOM 468 C CB . PRO A 1 92 ? -11.844 -14.842 -24.962 1.00 70.79 ? 70 PRO A CB 1 -ATOM 469 C CG . PRO A 1 92 ? -11.654 -13.606 -25.767 1.00 71.02 ? 70 PRO A CG 1 -ATOM 470 C CD . PRO A 1 92 ? -12.155 -12.478 -24.891 1.00 70.48 ? 70 PRO A CD 1 -ATOM 471 N N . ILE A 1 93 ? -13.615 -16.337 -22.486 1.00 61.10 ? 71 ILE A N 1 -ATOM 472 C CA . ILE A 1 93 ? -13.643 -16.957 -21.160 1.00 58.37 ? 71 ILE A CA 1 -ATOM 473 C C . ILE A 1 93 ? -12.932 -18.311 -21.218 1.00 55.55 ? 71 ILE A C 1 -ATOM 474 O O . ILE A 1 93 ? -13.289 -19.157 -22.037 1.00 53.20 ? 71 ILE A O 1 -ATOM 475 C CB . ILE A 1 93 ? -15.109 -17.138 -20.658 1.00 58.39 ? 71 ILE A CB 1 -ATOM 476 C CG1 . ILE A 1 93 ? -15.720 -15.803 -20.205 1.00 59.36 ? 71 ILE A CG1 1 -ATOM 477 C CG2 . ILE A 1 93 ? -15.200 -18.197 -19.580 1.00 59.94 ? 71 ILE A CG2 1 -ATOM 478 C CD1 . ILE A 1 93 ? -15.053 -15.164 -19.007 1.00 54.43 ? 71 ILE A CD1 1 -ATOM 479 N N . GLN A 1 94 ? -11.900 -18.514 -20.401 1.00 53.10 ? 72 GLN A N 1 -ATOM 480 C CA . GLN A 1 94 ? -11.284 -19.843 -20.348 1.00 58.54 ? 72 GLN A CA 1 -ATOM 481 C C . GLN A 1 94 ? -11.914 -20.677 -19.242 1.00 57.63 ? 72 GLN A C 1 -ATOM 482 O O . GLN A 1 94 ? -11.818 -20.336 -18.061 1.00 54.26 ? 72 GLN A O 1 -ATOM 483 C CB . GLN A 1 94 ? -9.776 -19.767 -20.141 1.00 56.46 ? 72 GLN A CB 1 -ATOM 484 C CG . GLN A 1 94 ? -9.078 -21.120 -20.319 1.00 58.37 ? 72 GLN A CG 1 -ATOM 485 C CD . GLN A 1 94 ? -7.556 -20.990 -20.336 1.00 68.28 ? 72 GLN A CD 1 -ATOM 486 O OE1 . GLN A 1 94 ? -6.998 -20.159 -19.621 1.00 61.89 ? 72 GLN A OE1 1 -ATOM 487 N NE2 . GLN A 1 94 ? -6.883 -21.818 -21.143 1.00 54.63 ? 72 GLN A NE2 1 -ATOM 488 N N . GLN A 1 95 ? -12.552 -21.772 -19.643 1.00 54.67 ? 73 GLN A N 1 -ATOM 489 C CA . GLN A 1 95 ? -13.294 -22.642 -18.730 1.00 51.21 ? 73 GLN A CA 1 -ATOM 490 C C . GLN A 1 95 ? -12.409 -23.663 -18.045 1.00 55.37 ? 73 GLN A C 1 -ATOM 491 O O . GLN A 1 95 ? -12.028 -24.664 -18.646 1.00 51.02 ? 73 GLN A O 1 -ATOM 492 C CB . GLN A 1 95 ? -14.422 -23.356 -19.486 1.00 44.33 ? 73 GLN A CB 1 -ATOM 493 C CG . GLN A 1 95 ? -15.475 -22.383 -20.014 1.00 53.36 ? 73 GLN A CG 1 -ATOM 494 C CD . GLN A 1 95 ? -16.665 -23.088 -20.593 1.00 43.44 ? 73 GLN A CD 1 -ATOM 495 O OE1 . GLN A 1 95 ? -16.525 -24.141 -21.207 1.00 49.23 ? 73 GLN A OE1 1 -ATOM 496 N NE2 . GLN A 1 95 ? -17.865 -22.553 -20.337 1.00 52.20 ? 73 GLN A NE2 1 -ATOM 497 N N . LEU A 1 96 ? -12.070 -23.403 -16.787 1.00 49.82 ? 74 LEU A N 1 -ATOM 498 C CA . LEU A 1 96 ? -11.355 -24.398 -16.012 1.00 55.42 ? 74 LEU A CA 1 -ATOM 499 C C . LEU A 1 96 ? -12.329 -25.224 -15.144 1.00 54.46 ? 74 LEU A C 1 -ATOM 500 O O . LEU A 1 96 ? -13.190 -24.680 -14.468 1.00 51.30 ? 74 LEU A O 1 -ATOM 501 C CB . LEU A 1 96 ? -10.284 -23.715 -15.167 1.00 50.90 ? 74 LEU A CB 1 -ATOM 502 C CG . LEU A 1 96 ? -9.168 -24.669 -14.729 1.00 61.40 ? 74 LEU A CG 1 -ATOM 503 C CD1 . LEU A 1 96 ? -7.837 -23.995 -14.862 1.00 65.72 ? 74 LEU A CD1 1 -ATOM 504 C CD2 . LEU A 1 96 ? -9.341 -25.155 -13.295 1.00 67.19 ? 74 LEU A CD2 1 -ATOM 505 N N . VAL A 1 97 ? -12.188 -26.542 -15.174 1.00 42.10 ? 75 VAL A N 1 -ATOM 506 C CA . VAL A 1 97 ? -13.117 -27.423 -14.480 1.00 38.65 ? 75 VAL A CA 1 -ATOM 507 C C . VAL A 1 97 ? -12.403 -28.293 -13.439 1.00 54.35 ? 75 VAL A C 1 -ATOM 508 O O . VAL A 1 97 ? -11.411 -28.974 -13.719 1.00 48.46 ? 75 VAL A O 1 -ATOM 509 C CB . VAL A 1 97 ? -13.881 -28.315 -15.452 1.00 44.42 ? 75 VAL A CB 1 -ATOM 510 C CG1 . VAL A 1 97 ? -14.770 -29.264 -14.688 1.00 56.17 ? 75 VAL A CG1 1 -ATOM 511 C CG2 . VAL A 1 97 ? -14.741 -27.476 -16.376 1.00 47.71 ? 75 VAL A CG2 1 -ATOM 512 N N . THR A 1 98 ? -12.904 -28.222 -12.216 1.00 50.46 ? 76 THR A N 1 -ATOM 513 C CA . THR A 1 98 ? -12.413 -29.025 -11.120 1.00 47.07 ? 76 THR A CA 1 -ATOM 514 C C . THR A 1 98 ? -13.524 -29.974 -10.668 1.00 56.85 ? 76 THR A C 1 -ATOM 515 O O . THR A 1 98 ? -14.712 -29.612 -10.671 1.00 51.85 ? 76 THR A O 1 -ATOM 516 C CB . THR A 1 98 ? -11.962 -28.136 -9.940 1.00 55.28 ? 76 THR A CB 1 -ATOM 517 O OG1 . THR A 1 98 ? -11.650 -28.954 -8.805 1.00 62.23 ? 76 THR A OG1 1 -ATOM 518 C CG2 . THR A 1 98 ? -13.076 -27.208 -9.543 1.00 46.98 ? 76 THR A CG2 1 -ATOM 519 N N . GLY A 1 99 ? -13.141 -31.195 -10.298 1.00 51.98 ? 77 GLY A N 1 -ATOM 520 C CA . GLY A 1 99 ? -14.081 -32.152 -9.752 1.00 54.10 ? 77 GLY A CA 1 -ATOM 521 C C . GLY A 1 99 ? -13.669 -33.582 -10.014 1.00 61.34 ? 77 GLY A C 1 -ATOM 522 O O . GLY A 1 99 ? -12.545 -33.854 -10.451 1.00 62.31 ? 77 GLY A O 1 -ATOM 523 N N . GLN A 1 100 ? -14.593 -34.498 -9.741 1.00 49.24 ? 78 GLN A N 1 -ATOM 524 C CA . GLN A 1 100 ? -14.395 -35.920 -10.038 1.00 63.49 ? 78 GLN A CA 1 -ATOM 525 C C . GLN A 1 100 ? -15.733 -36.630 -9.911 1.00 55.32 ? 78 GLN A C 1 -ATOM 526 O O . GLN A 1 100 ? -16.693 -36.058 -9.390 1.00 54.44 ? 78 GLN A O 1 -ATOM 527 C CB . GLN A 1 100 ? -13.385 -36.554 -9.079 1.00 55.06 ? 78 GLN A CB 1 -ATOM 528 C CG . GLN A 1 100 ? -13.786 -36.407 -7.610 1.00 55.32 ? 78 GLN A CG 1 -ATOM 529 C CD . GLN A 1 100 ? -12.785 -37.026 -6.655 1.00 66.59 ? 78 GLN A CD 1 -ATOM 530 O OE1 . GLN A 1 100 ? -12.171 -38.050 -6.953 1.00 73.33 ? 78 GLN A OE1 1 -ATOM 531 N NE2 . GLN A 1 100 ? -12.618 -36.403 -5.492 1.00 74.70 ? 78 GLN A NE2 1 -ATOM 532 N N . SER A 1 101 ? -15.797 -37.869 -10.382 1.00 62.86 ? 79 SER A N 1 -ATOM 533 C CA . SER A 1 101 ? -16.961 -38.715 -10.119 1.00 58.53 ? 79 SER A CA 1 -ATOM 534 C C . SER A 1 101 ? -18.320 -38.106 -10.469 1.00 49.25 ? 79 SER A C 1 -ATOM 535 O O . SER A 1 101 ? -19.229 -38.149 -9.658 1.00 54.40 ? 79 SER A O 1 -ATOM 536 C CB . SER A 1 101 ? -16.964 -39.056 -8.634 1.00 58.08 ? 79 SER A CB 1 -ATOM 537 O OG . SER A 1 101 ? -15.666 -39.440 -8.208 1.00 69.20 ? 79 SER A OG 1 -ATOM 538 N N . GLY A 1 102 ? -18.440 -37.517 -11.651 1.00 46.93 ? 80 GLY A N 1 -ATOM 539 C CA . GLY A 1 102 ? -19.693 -36.942 -12.114 1.00 50.74 ? 80 GLY A CA 1 -ATOM 540 C C . GLY A 1 102 ? -20.066 -35.555 -11.603 1.00 40.30 ? 80 GLY A C 1 -ATOM 541 O O . GLY A 1 102 ? -20.934 -34.913 -12.186 1.00 52.16 ? 80 GLY A O 1 -ATOM 542 N N . LEU A 1 103 ? -19.431 -35.095 -10.531 1.00 39.45 ? 81 LEU A N 1 -ATOM 543 C CA . LEU A 1 103 ? -19.710 -33.768 -9.967 1.00 45.68 ? 81 LEU A CA 1 -ATOM 544 C C . LEU A 1 103 ? -18.552 -32.791 -10.175 1.00 48.27 ? 81 LEU A C 1 -ATOM 545 O O . LEU A 1 103 ? -17.468 -33.014 -9.612 1.00 38.83 ? 81 LEU A O 1 -ATOM 546 C CB . LEU A 1 103 ? -19.979 -33.873 -8.477 1.00 45.68 ? 81 LEU A CB 1 -ATOM 547 C CG . LEU A 1 103 ? -21.199 -34.715 -8.149 1.00 57.02 ? 81 LEU A CG 1 -ATOM 548 C CD1 . LEU A 1 103 ? -20.990 -35.351 -6.805 1.00 42.04 ? 81 LEU A CD1 1 -ATOM 549 C CD2 . LEU A 1 103 ? -22.453 -33.850 -8.203 1.00 62.86 ? 81 LEU A CD2 1 -ATOM 550 N N . PHE A 1 104 ? -18.779 -31.729 -10.957 1.00 46.20 ? 82 PHE A N 1 -ATOM 551 C CA . PHE A 1 104 ? -17.728 -30.760 -11.309 1.00 35.33 ? 82 PHE A CA 1 -ATOM 552 C C . PHE A 1 104 ? -18.145 -29.308 -11.037 1.00 54.46 ? 82 PHE A C 1 -ATOM 553 O O . PHE A 1 104 ? -19.325 -28.980 -11.057 1.00 41.29 ? 82 PHE A O 1 -ATOM 554 C CB . PHE A 1 104 ? -17.332 -30.897 -12.790 1.00 34.58 ? 82 PHE A CB 1 -ATOM 555 C CG . PHE A 1 104 ? -16.937 -32.300 -13.189 1.00 50.21 ? 82 PHE A CG 1 -ATOM 556 C CD1 . PHE A 1 104 ? -17.893 -33.211 -13.641 1.00 40.72 ? 82 PHE A CD1 1 -ATOM 557 C CD2 . PHE A 1 104 ? -15.617 -32.716 -13.087 1.00 41.02 ? 82 PHE A CD2 1 -ATOM 558 C CE1 . PHE A 1 104 ? -17.542 -34.511 -13.975 1.00 42.79 ? 82 PHE A CE1 1 -ATOM 559 C CE2 . PHE A 1 104 ? -15.258 -34.013 -13.421 1.00 50.80 ? 82 PHE A CE2 1 -ATOM 560 C CZ . PHE A 1 104 ? -16.232 -34.917 -13.865 1.00 43.44 ? 82 PHE A CZ 1 -ATOM 561 N N . THR A 1 105 ? -17.158 -28.441 -10.814 1.00 54.36 ? 83 THR A N 1 -ATOM 562 C CA . THR A 1 105 ? -17.398 -27.013 -10.661 1.00 40.88 ? 83 THR A CA 1 -ATOM 563 C C . THR A 1 105 ? -16.529 -26.279 -11.646 1.00 53.31 ? 83 THR A C 1 -ATOM 564 O O . THR A 1 105 ? -15.321 -26.487 -11.736 1.00 50.59 ? 83 THR A O 1 -ATOM 565 C CB . THR A 1 105 ? -17.128 -26.505 -9.238 1.00 50.05 ? 83 THR A CB 1 -ATOM 566 O OG1 . THR A 1 105 ? -18.063 -27.115 -8.340 1.00 54.82 ? 83 THR A OG1 1 -ATOM 567 C CG2 . THR A 1 105 ? -17.307 -24.984 -9.147 1.00 47.81 ? 83 THR A CG2 1 -ATOM 568 N N . GLN A 1 106 ? -17.174 -25.401 -12.391 1.00 50.07 ? 84 GLN A N 1 -ATOM 569 C CA . GLN A 1 106 ? -16.545 -24.731 -13.495 1.00 39.19 ? 84 GLN A CA 1 -ATOM 570 C C . GLN A 1 106 ? -16.168 -23.307 -13.121 1.00 52.18 ? 84 GLN A C 1 -ATOM 571 O O . GLN A 1 106 ? -17.007 -22.530 -12.667 1.00 46.54 ? 84 GLN A O 1 -ATOM 572 C CB . GLN A 1 106 ? -17.486 -24.766 -14.686 1.00 38.79 ? 84 GLN A CB 1 -ATOM 573 C CG . GLN A 1 106 ? -16.976 -24.086 -15.929 1.00 48.91 ? 84 GLN A CG 1 -ATOM 574 C CD . GLN A 1 106 ? -18.005 -24.147 -17.025 1.00 61.56 ? 84 GLN A CD 1 -ATOM 575 O OE1 . GLN A 1 106 ? -19.001 -23.424 -16.988 1.00 63.46 ? 84 GLN A OE1 1 -ATOM 576 N NE2 . GLN A 1 106 ? -17.779 -25.021 -18.011 1.00 55.69 ? 84 GLN A NE2 1 -ATOM 577 N N . TYR A 1 107 ? -14.884 -22.992 -13.224 1.00 51.55 ? 85 TYR A N 1 -ATOM 578 C CA . TYR A 1 107 ? -14.426 -21.621 -12.966 1.00 62.07 ? 85 TYR A CA 1 -ATOM 579 C C . TYR A 1 107 ? -14.099 -20.916 -14.281 1.00 58.56 ? 85 TYR A C 1 -ATOM 580 O O . TYR A 1 107 ? -13.481 -21.507 -15.167 1.00 55.92 ? 85 TYR A O 1 -ATOM 581 C CB . TYR A 1 107 ? -13.232 -21.599 -12.022 1.00 51.82 ? 85 TYR A CB 1 -ATOM 582 C CG . TYR A 1 107 ? -13.541 -22.169 -10.667 1.00 47.03 ? 85 TYR A CG 1 -ATOM 583 C CD1 . TYR A 1 107 ? -13.541 -23.534 -10.465 1.00 55.09 ? 85 TYR A CD1 1 -ATOM 584 C CD2 . TYR A 1 107 ? -13.850 -21.350 -9.589 1.00 44.43 ? 85 TYR A CD2 1 -ATOM 585 C CE1 . TYR A 1 107 ? -13.837 -24.077 -9.236 1.00 45.11 ? 85 TYR A CE1 1 -ATOM 586 C CE2 . TYR A 1 107 ? -14.132 -21.892 -8.337 1.00 52.58 ? 85 TYR A CE2 1 -ATOM 587 C CZ . TYR A 1 107 ? -14.125 -23.272 -8.180 1.00 57.10 ? 85 TYR A CZ 1 -ATOM 588 O OH . TYR A 1 107 ? -14.400 -23.891 -6.980 1.00 63.89 ? 85 TYR A OH 1 -ATOM 589 N N . ASN A 1 108 ? -14.603 -19.694 -14.437 1.00 51.73 ? 86 ASN A N 1 -ATOM 590 C CA . ASN A 1 108 ? -14.458 -18.942 -15.680 1.00 56.34 ? 86 ASN A CA 1 -ATOM 591 C C . ASN A 1 108 ? -13.396 -17.837 -15.632 1.00 56.44 ? 86 ASN A C 1 -ATOM 592 O O . ASN A 1 108 ? -13.712 -16.695 -15.330 1.00 75.10 ? 86 ASN A O 1 -ATOM 593 C CB . ASN A 1 108 ? -15.801 -18.333 -16.061 1.00 57.91 ? 86 ASN A CB 1 -ATOM 594 C CG . ASN A 1 108 ? -16.844 -19.385 -16.367 1.00 65.04 ? 86 ASN A CG 1 -ATOM 595 O OD1 . ASN A 1 108 ? -16.877 -19.957 -17.458 1.00 66.13 ? 86 ASN A OD1 1 -ATOM 596 N ND2 . ASN A 1 108 ? -17.681 -19.679 -15.383 1.00 80.47 ? 86 ASN A ND2 1 -ATOM 597 N N . ILE A 1 109 ? -12.150 -18.187 -15.946 1.00 56.22 ? 87 ILE A N 1 -ATOM 598 C CA . ILE A 1 109 ? -11.021 -17.248 -16.057 1.00 54.76 ? 87 ILE A CA 1 -ATOM 599 C C . ILE A 1 109 ? -11.105 -16.357 -17.312 1.00 60.59 ? 87 ILE A C 1 -ATOM 600 O O . ILE A 1 109 ? -10.940 -16.850 -18.428 1.00 65.97 ? 87 ILE A O 1 -ATOM 601 C CB . ILE A 1 109 ? -9.684 -18.044 -16.118 1.00 63.12 ? 87 ILE A CB 1 -ATOM 602 C CG1 . ILE A 1 109 ? -9.554 -18.987 -14.921 1.00 67.10 ? 87 ILE A CG1 1 -ATOM 603 C CG2 . ILE A 1 109 ? -8.472 -17.129 -16.290 1.00 59.56 ? 87 ILE A CG2 1 -ATOM 604 C CD1 . ILE A 1 109 ? -8.396 -19.956 -15.043 1.00 67.57 ? 87 ILE A CD1 1 -ATOM 605 N N . GLN A 1 110 ? -11.306 -15.051 -17.153 1.00 64.77 ? 88 GLN A N 1 -ATOM 606 C CA . GLN A 1 110 ? -11.430 -14.190 -18.336 1.00 69.92 ? 88 GLN A CA 1 -ATOM 607 C C . GLN A 1 110 ? -10.091 -13.871 -19.009 1.00 73.34 ? 88 GLN A C 1 -ATOM 608 O O . GLN A 1 110 ? -9.138 -13.429 -18.364 1.00 70.66 ? 88 GLN A O 1 -ATOM 609 C CB . GLN A 1 110 ? -12.145 -12.881 -18.007 1.00 64.21 ? 88 GLN A CB 1 -ATOM 610 C CG . GLN A 1 110 ? -12.574 -12.132 -19.274 1.00 68.56 ? 88 GLN A CG 1 -ATOM 611 C CD . GLN A 1 110 ? -13.263 -10.814 -18.989 1.00 79.42 ? 88 GLN A CD 1 -ATOM 612 O OE1 . GLN A 1 110 ? -14.088 -10.714 -18.080 1.00 91.85 ? 88 GLN A OE1 1 -ATOM 613 N NE2 . GLN A 1 110 ? -12.917 -9.785 -19.762 1.00 80.75 ? 88 GLN A NE2 1 -ATOM 614 N N . LYS A 1 111 ? -10.053 -14.064 -20.325 1.00 66.71 ? 89 LYS A N 1 -ATOM 615 C CA . LYS A 1 111 ? -8.870 -13.785 -21.102 1.00 67.63 ? 89 LYS A CA 1 -ATOM 616 C C . LYS A 1 111 ? -9.078 -12.485 -21.858 1.00 77.67 ? 89 LYS A C 1 -ATOM 617 O O . LYS A 1 111 ? -10.092 -11.812 -21.680 1.00 75.62 ? 89 LYS A O 1 -ATOM 618 C CB . LYS A 1 111 ? -8.574 -14.929 -22.068 1.00 62.68 ? 89 LYS A CB 1 -ATOM 619 N N . LYS A 1 112 ? -8.104 -12.114 -22.678 1.00 79.32 ? 90 LYS A N 1 -ATOM 620 C CA . LYS A 1 112 ? -8.176 -10.841 -23.381 1.00 80.65 ? 90 LYS A CA 1 -ATOM 621 C C . LYS A 1 112 ? -8.756 -10.988 -24.786 1.00 82.44 ? 90 LYS A C 1 -ATOM 622 O O . LYS A 1 112 ? -8.678 -12.064 -25.405 1.00 73.86 ? 90 LYS A O 1 -ATOM 623 C CB . LYS A 1 112 ? -6.803 -10.160 -23.377 1.00 76.38 ? 90 LYS A CB 1 -ATOM 624 C CG . LYS A 1 112 ? -6.475 -9.642 -21.968 1.00 80.99 ? 90 LYS A CG 1 -ATOM 625 C CD . LYS A 1 112 ? -7.790 -9.239 -21.257 1.00 84.46 ? 90 LYS A CD 1 -ATOM 626 C CE . LYS A 1 112 ? -7.789 -9.486 -19.746 1.00 85.04 ? 90 LYS A CE 1 -ATOM 627 N NZ . LYS A 1 112 ? -7.059 -8.427 -18.991 1.00 95.19 ? 90 LYS A NZ 1 -ATOM 628 N N . ALA A 1 113 ? -9.345 -9.890 -25.264 1.00 80.62 ? 91 ALA A N 1 -ATOM 629 C CA . ALA A 1 113 ? -10.163 -9.877 -26.476 1.00 71.98 ? 91 ALA A CA 1 -ATOM 630 C C . ALA A 1 113 ? -9.473 -10.458 -27.703 1.00 66.75 ? 91 ALA A C 1 -ATOM 631 O O . ALA A 1 113 ? -8.248 -10.481 -27.793 1.00 80.32 ? 91 ALA A O 1 -ATOM 632 C CB . ALA A 1 113 ? -10.626 -8.449 -26.760 1.00 69.38 ? 91 ALA A CB 1 -ATOM 633 N N . MET A 1 114 ? -10.277 -10.967 -28.630 1.00 65.97 ? 92 MET A N 1 -ATOM 634 C CA . MET A 1 114 ? -9.766 -11.549 -29.861 1.00 66.55 ? 92 MET A CA 1 -ATOM 635 C C . MET A 1 114 ? -10.872 -11.628 -30.895 1.00 69.85 ? 92 MET A C 1 -ATOM 636 O O . MET A 1 114 ? -12.032 -11.425 -30.569 1.00 74.72 ? 92 MET A O 1 -ATOM 637 C CB . MET A 1 114 ? -9.172 -12.941 -29.613 1.00 74.60 ? 92 MET A CB 1 -ATOM 638 C CG . MET A 1 114 ? -10.185 -14.026 -29.286 1.00 75.28 ? 92 MET A CG 1 -ATOM 639 S SD . MET A 1 114 ? -9.358 -15.595 -28.961 1.00 80.77 ? 92 MET A SD 1 -ATOM 640 C CE . MET A 1 114 ? -8.625 -15.251 -27.360 1.00 80.33 ? 92 MET A CE 1 -ATOM 641 N N . THR A 1 115 ? -10.513 -11.969 -32.130 1.00 78.04 ? 93 THR A N 1 -ATOM 642 C CA . THR A 1 115 ? -11.465 -12.008 -33.237 1.00 75.09 ? 93 THR A CA 1 -ATOM 643 C C . THR A 1 115 ? -11.966 -13.403 -33.549 1.00 74.98 ? 93 THR A C 1 -ATOM 644 O O . THR A 1 115 ? -11.479 -14.387 -33.008 1.00 79.82 ? 93 THR A O 1 -ATOM 645 C CB . THR A 1 115 ? -10.851 -11.459 -34.540 1.00 80.02 ? 93 THR A CB 1 -ATOM 646 O OG1 . THR A 1 115 ? -9.827 -12.353 -35.005 1.00 87.09 ? 93 THR A OG1 1 -ATOM 647 C CG2 . THR A 1 115 ? -10.294 -10.054 -34.330 1.00 69.29 ? 93 THR A CG2 1 -ATOM 648 N N . VAL A 1 116 ? -12.944 -13.478 -34.438 1.00 64.24 ? 94 VAL A N 1 -ATOM 649 C CA . VAL A 1 116 ? -13.426 -14.752 -34.920 1.00 68.22 ? 94 VAL A CA 1 -ATOM 650 C C . VAL A 1 116 ? -12.328 -15.474 -35.726 1.00 76.02 ? 94 VAL A C 1 -ATOM 651 O O . VAL A 1 116 ? -12.221 -16.700 -35.689 1.00 72.06 ? 94 VAL A O 1 -ATOM 652 C CB . VAL A 1 116 ? -14.704 -14.552 -35.747 1.00 75.58 ? 94 VAL A CB 1 -ATOM 653 C CG1 . VAL A 1 116 ? -15.135 -15.842 -36.417 1.00 70.11 ? 94 VAL A CG1 1 -ATOM 654 C CG2 . VAL A 1 116 ? -15.821 -14.040 -34.838 1.00 69.36 ? 94 VAL A CG2 1 -ATOM 655 N N . ARG A 1 117 ? -11.512 -14.714 -36.456 1.00 89.40 ? 95 ARG A N 1 -ATOM 656 C CA . ARG A 1 117 ? -10.390 -15.294 -37.207 1.00 85.15 ? 95 ARG A CA 1 -ATOM 657 C C . ARG A 1 117 ? -9.372 -15.937 -36.269 1.00 80.20 ? 95 ARG A C 1 -ATOM 658 O O . ARG A 1 117 ? -8.850 -17.024 -36.543 1.00 79.94 ? 95 ARG A O 1 -ATOM 659 C CB . ARG A 1 117 ? -9.700 -14.231 -38.068 1.00 82.84 ? 95 ARG A CB 1 -ATOM 660 N N . GLU A 1 118 ? -9.101 -15.258 -35.159 1.00 72.05 ? 96 GLU A N 1 -ATOM 661 C CA . GLU A 1 118 ? -8.170 -15.758 -34.160 1.00 76.19 ? 96 GLU A CA 1 -ATOM 662 C C . GLU A 1 118 ? -8.716 -16.997 -33.452 1.00 79.31 ? 96 GLU A C 1 -ATOM 663 O O . GLU A 1 118 ? -8.033 -18.013 -33.327 1.00 81.32 ? 96 GLU A O 1 -ATOM 664 C CB . GLU A 1 118 ? -7.866 -14.666 -33.142 1.00 69.43 ? 96 GLU A CB 1 -ATOM 665 C CG . GLU A 1 118 ? -6.839 -13.660 -33.606 1.00 78.38 ? 96 GLU A CG 1 -ATOM 666 C CD . GLU A 1 118 ? -6.900 -12.362 -32.814 1.00 87.40 ? 96 GLU A CD 1 -ATOM 667 O OE1 . GLU A 1 118 ? -8.006 -11.790 -32.704 1.00 82.85 ? 96 GLU A OE1 1 -ATOM 668 O OE2 . GLU A 1 118 ? -5.849 -11.904 -32.316 1.00 87.68 ? 96 GLU A OE2 1 -ATOM 669 N N . PHE A 1 119 ? -9.968 -16.904 -33.023 1.00 80.44 ? 97 PHE A N 1 -ATOM 670 C CA . PHE A 1 119 ? -10.650 -17.971 -32.304 1.00 66.85 ? 97 PHE A CA 1 -ATOM 671 C C . PHE A 1 119 ? -10.724 -19.253 -33.146 1.00 71.81 ? 97 PHE A C 1 -ATOM 672 O O . PHE A 1 119 ? -10.421 -20.344 -32.649 1.00 70.44 ? 97 PHE A O 1 -ATOM 673 C CB . PHE A 1 119 ? -12.048 -17.488 -31.898 1.00 64.42 ? 97 PHE A CB 1 -ATOM 674 C CG . PHE A 1 119 ? -12.755 -18.395 -30.941 1.00 62.49 ? 97 PHE A CG 1 -ATOM 675 C CD1 . PHE A 1 119 ? -13.437 -19.520 -31.391 1.00 61.35 ? 97 PHE A CD1 1 -ATOM 676 C CD2 . PHE A 1 119 ? -12.737 -18.123 -29.587 1.00 53.57 ? 97 PHE A CD2 1 -ATOM 677 C CE1 . PHE A 1 119 ? -14.074 -20.354 -30.510 1.00 55.09 ? 97 PHE A CE1 1 -ATOM 678 C CE2 . PHE A 1 119 ? -13.375 -18.955 -28.706 1.00 51.74 ? 97 PHE A CE2 1 -ATOM 679 C CZ . PHE A 1 119 ? -14.045 -20.069 -29.168 1.00 57.13 ? 97 PHE A CZ 1 -ATOM 680 N N . ARG A 1 120 ? -11.125 -19.129 -34.413 1.00 70.63 ? 98 ARG A N 1 -ATOM 681 C CA . ARG A 1 120 ? -11.218 -20.294 -35.297 1.00 75.89 ? 98 ARG A CA 1 -ATOM 682 C C . ARG A 1 120 ? -9.848 -20.968 -35.468 1.00 78.38 ? 98 ARG A C 1 -ATOM 683 O O . ARG A 1 120 ? -9.753 -22.186 -35.658 1.00 79.73 ? 98 ARG A O 1 -ATOM 684 C CB . ARG A 1 120 ? -11.801 -19.906 -36.656 1.00 75.95 ? 98 ARG A CB 1 -ATOM 685 C CG . ARG A 1 120 ? -12.038 -21.097 -37.591 1.00 83.67 ? 98 ARG A CG 1 -ATOM 686 C CD . ARG A 1 120 ? -12.263 -20.655 -39.036 1.00 83.83 ? 98 ARG A CD 1 -ATOM 687 N NE . ARG A 1 120 ? -11.641 -19.361 -39.301 1.00 87.22 ? 98 ARG A NE 1 -ATOM 688 C CZ . ARG A 1 120 ? -11.761 -18.692 -40.442 1.00 92.27 ? 98 ARG A CZ 1 -ATOM 689 N NH1 . ARG A 1 120 ? -12.489 -19.191 -41.432 1.00 106.36 ? 98 ARG A NH1 1 -ATOM 690 N NH2 . ARG A 1 120 ? -11.159 -17.519 -40.589 1.00 93.82 ? 98 ARG A NH2 1 -ATOM 691 N N . LYS A 1 121 ? -8.788 -20.167 -35.409 1.00 83.74 ? 99 LYS A N 1 -ATOM 692 C CA . LYS A 1 121 ? -7.441 -20.706 -35.502 1.00 79.67 ? 99 LYS A CA 1 -ATOM 693 C C . LYS A 1 121 ? -7.152 -21.600 -34.302 1.00 76.76 ? 99 LYS A C 1 -ATOM 694 O O . LYS A 1 121 ? -6.702 -22.731 -34.466 1.00 63.70 ? 99 LYS A O 1 -ATOM 695 C CB . LYS A 1 121 ? -6.412 -19.576 -35.583 1.00 77.39 ? 99 LYS A CB 1 -ATOM 696 N N . ILE A 1 122 ? -7.470 -21.109 -33.100 1.00 83.55 ? 100 ILE A N 1 -ATOM 697 C CA . ILE A 1 122 ? -7.210 -21.854 -31.858 1.00 79.47 ? 100 ILE A CA 1 -ATOM 698 C C . ILE A 1 122 ? -8.178 -23.027 -31.667 1.00 67.08 ? 100 ILE A C 1 -ATOM 699 O O . ILE A 1 122 ? -7.836 -24.023 -31.042 1.00 71.20 ? 100 ILE A O 1 -ATOM 700 C CB . ILE A 1 122 ? -7.277 -20.934 -30.616 1.00 63.36 ? 100 ILE A CB 1 -ATOM 701 C CG1 . ILE A 1 122 ? -6.422 -19.692 -30.826 1.00 68.96 ? 100 ILE A CG1 1 -ATOM 702 C CG2 . ILE A 1 122 ? -6.752 -21.642 -29.383 1.00 63.58 ? 100 ILE A CG2 1 -ATOM 703 C CD1 . ILE A 1 122 ? -6.484 -18.707 -29.666 1.00 55.17 ? 100 ILE A CD1 1 -ATOM 704 N N . ALA A 1 123 ? -9.383 -22.896 -32.208 1.00 75.69 ? 101 ALA A N 1 -ATOM 705 C CA . ALA A 1 123 ? -10.397 -23.942 -32.115 1.00 67.95 ? 101 ALA A CA 1 -ATOM 706 C C . ALA A 1 123 ? -10.071 -25.136 -33.010 1.00 77.88 ? 101 ALA A C 1 -ATOM 707 O O . ALA A 1 123 ? -10.388 -26.280 -32.676 1.00 76.87 ? 101 ALA A O 1 -ATOM 708 C CB . ALA A 1 123 ? -11.753 -23.386 -32.467 1.00 60.21 ? 101 ALA A CB 1 -ATOM 709 N N . ASN A 1 124 ? -9.484 -24.864 -34.174 1.00 81.22 ? 102 ASN A N 1 -ATOM 710 C CA . ASN A 1 124 ? -9.169 -25.926 -35.125 1.00 82.42 ? 102 ASN A CA 1 -ATOM 711 C C . ASN A 1 124 ? -7.740 -26.425 -34.953 1.00 78.65 ? 102 ASN A C 1 -ATOM 712 O O . ASN A 1 124 ? -7.342 -27.415 -35.566 1.00 72.64 ? 102 ASN A O 1 -ATOM 713 C CB . ASN A 1 124 ? -9.387 -25.444 -36.564 1.00 80.79 ? 102 ASN A CB 1 -ATOM 714 C CG . ASN A 1 124 ? -10.843 -25.172 -36.870 1.00 77.51 ? 102 ASN A CG 1 -ATOM 715 O OD1 . ASN A 1 124 ? -11.735 -25.834 -36.336 1.00 77.02 ? 102 ASN A OD1 1 -ATOM 716 N ND2 . ASN A 1 124 ? -11.094 -24.208 -37.745 1.00 78.92 ? 102 ASN A ND2 1 -ATOM 717 N N . SER A 1 125 ? -6.984 -25.713 -34.119 1.00 74.71 ? 103 SER A N 1 -ATOM 718 C CA . SER A 1 125 ? -5.668 -26.129 -33.668 1.00 63.87 ? 103 SER A CA 1 -ATOM 719 C C . SER A 1 125 ? -5.637 -27.574 -33.166 1.00 75.09 ? 103 SER A C 1 -ATOM 720 O O . SER A 1 125 ? -6.644 -28.099 -32.699 1.00 80.15 ? 103 SER A O 1 -ATOM 721 C CB . SER A 1 125 ? -5.190 -25.197 -32.567 1.00 62.90 ? 103 SER A CB 1 -ATOM 722 O OG . SER A 1 125 ? -4.398 -25.908 -31.639 1.00 75.91 ? 103 SER A OG 1 -ATOM 723 N N . ASP A 1 126 ? -4.473 -28.210 -33.240 1.00 73.14 ? 104 ASP A N 1 -ATOM 724 C CA . ASP A 1 126 ? -4.365 -29.611 -32.859 1.00 73.66 ? 104 ASP A CA 1 -ATOM 725 C C . ASP A 1 126 ? -4.510 -29.809 -31.347 1.00 77.13 ? 104 ASP A C 1 -ATOM 726 O O . ASP A 1 126 ? -4.792 -30.918 -30.900 1.00 79.46 ? 104 ASP A O 1 -ATOM 727 C CB . ASP A 1 126 ? -3.030 -30.195 -33.337 1.00 63.13 ? 104 ASP A CB 1 -ATOM 728 N N . LYS A 1 127 ? -4.367 -28.744 -30.557 1.00 79.80 ? 105 LYS A N 1 -ATOM 729 C CA . LYS A 1 127 ? -4.423 -28.888 -29.095 1.00 70.61 ? 105 LYS A CA 1 -ATOM 730 C C . LYS A 1 127 ? -5.843 -28.657 -28.545 1.00 78.61 ? 105 LYS A C 1 -ATOM 731 O O . LYS A 1 127 ? -6.152 -29.056 -27.417 1.00 79.33 ? 105 LYS A O 1 -ATOM 732 C CB . LYS A 1 127 ? -3.405 -27.942 -28.440 1.00 71.87 ? 105 LYS A CB 1 -ATOM 733 C CG . LYS A 1 127 ? -3.336 -27.900 -26.890 1.00 80.71 ? 105 LYS A CG 1 -ATOM 734 C CD . LYS A 1 127 ? -2.511 -26.695 -26.401 1.00 73.32 ? 105 LYS A CD 1 -ATOM 735 C CE . LYS A 1 127 ? -2.717 -26.360 -24.928 1.00 80.88 ? 105 LYS A CE 1 -ATOM 736 N NZ . LYS A 1 127 ? -3.196 -24.962 -24.726 1.00 94.11 ? 105 LYS A NZ 1 -ATOM 737 N N . TYR A 1 128 ? -6.716 -28.065 -29.359 1.00 77.25 ? 106 TYR A N 1 -ATOM 738 C CA . TYR A 1 128 ? -8.097 -27.819 -28.958 1.00 70.19 ? 106 TYR A CA 1 -ATOM 739 C C . TYR A 1 128 ? -9.164 -28.458 -29.852 1.00 70.39 ? 106 TYR A C 1 -ATOM 740 O O . TYR A 1 128 ? -10.347 -28.428 -29.514 1.00 72.29 ? 106 TYR A O 1 -ATOM 741 C CB . TYR A 1 128 ? -8.335 -26.319 -28.877 1.00 61.50 ? 106 TYR A CB 1 -ATOM 742 C CG . TYR A 1 128 ? -7.584 -25.682 -27.732 1.00 68.41 ? 106 TYR A CG 1 -ATOM 743 C CD1 . TYR A 1 128 ? -7.932 -25.970 -26.420 1.00 66.48 ? 106 TYR A CD1 1 -ATOM 744 C CD2 . TYR A 1 128 ? -6.542 -24.797 -27.953 1.00 66.96 ? 106 TYR A CD2 1 -ATOM 745 C CE1 . TYR A 1 128 ? -7.266 -25.394 -25.365 1.00 65.19 ? 106 TYR A CE1 1 -ATOM 746 C CE2 . TYR A 1 128 ? -5.861 -24.219 -26.902 1.00 59.28 ? 106 TYR A CE2 1 -ATOM 747 C CZ . TYR A 1 128 ? -6.213 -24.528 -25.612 1.00 72.60 ? 106 TYR A CZ 1 -ATOM 748 O OH . TYR A 1 128 ? -5.541 -23.954 -24.549 1.00 76.83 ? 106 TYR A OH 1 -ATOM 749 N N . CYS A 1 129 ? -8.761 -29.081 -30.954 1.00 63.84 ? 107 CYS A N 1 -ATOM 750 C CA . CYS A 1 129 ? -9.748 -29.567 -31.923 1.00 65.28 ? 107 CYS A CA 1 -ATOM 751 C C . CYS A 1 129 ? -10.537 -30.781 -31.455 1.00 56.88 ? 107 CYS A C 1 -ATOM 752 O O . CYS A 1 129 ? -10.169 -31.449 -30.492 1.00 60.64 ? 107 CYS A O 1 -ATOM 753 C CB . CYS A 1 129 ? -9.074 -29.911 -33.254 1.00 73.97 ? 107 CYS A CB 1 -ATOM 754 S SG . CYS A 1 129 ? -7.881 -31.277 -33.191 1.00 85.83 ? 107 CYS A SG 1 -ATOM 755 N N . THR A 1 130 ? -11.657 -31.029 -32.129 1.00 67.47 ? 108 THR A N 1 -ATOM 756 C CA . THR A 1 130 ? -12.494 -32.204 -31.867 1.00 64.39 ? 108 THR A CA 1 -ATOM 757 C C . THR A 1 130 ? -11.756 -33.506 -32.161 1.00 73.52 ? 108 THR A C 1 -ATOM 758 O O . THR A 1 130 ? -10.988 -33.578 -33.119 1.00 71.07 ? 108 THR A O 1 -ATOM 759 C CB . THR A 1 130 ? -13.776 -32.195 -32.709 1.00 56.81 ? 108 THR A CB 1 -ATOM 760 O OG1 . THR A 1 130 ? -14.320 -30.870 -32.771 1.00 73.12 ? 108 THR A OG1 1 -ATOM 761 C CG2 . THR A 1 130 ? -14.785 -33.134 -32.121 1.00 56.89 ? 108 THR A CG2 1 -ATOM 762 N N . PRO A 1 131 ? -11.946 -34.523 -31.309 1.00 74.81 ? 109 PRO A N 1 -ATOM 763 C CA . PRO A 1 131 ? -11.427 -35.876 -31.582 1.00 70.86 ? 109 PRO A CA 1 -ATOM 764 C C . PRO A 1 131 ? -12.254 -36.695 -32.604 1.00 86.25 ? 109 PRO A C 1 -ATOM 765 O O . PRO A 1 131 ? -13.428 -36.388 -32.844 1.00 82.40 ? 109 PRO A O 1 -ATOM 766 C CB . PRO A 1 131 ? -11.463 -36.544 -30.201 1.00 71.53 ? 109 PRO A CB 1 -ATOM 767 C CG . PRO A 1 131 ? -11.519 -35.400 -29.209 1.00 69.28 ? 109 PRO A CG 1 -ATOM 768 C CD . PRO A 1 131 ? -12.304 -34.334 -29.892 1.00 65.89 ? 109 PRO A CD 1 -ATOM 769 N N . ARG A 1 132 ? -11.647 -37.733 -33.188 1.00 83.15 ? 110 ARG A N 1 -ATOM 770 C CA . ARG A 1 132 ? -12.342 -38.592 -34.155 1.00 84.51 ? 110 ARG A CA 1 -ATOM 771 C C . ARG A 1 132 ? -13.188 -39.610 -33.405 1.00 84.31 ? 110 ARG A C 1 -ATOM 772 O O . ARG A 1 132 ? -12.842 -40.000 -32.291 1.00 79.36 ? 110 ARG A O 1 -ATOM 773 C CB . ARG A 1 132 ? -11.356 -39.292 -35.095 1.00 73.23 ? 110 ARG A CB 1 -ATOM 774 N N . TYR A 1 133 ? -14.294 -40.040 -34.007 1.00 89.96 ? 111 TYR A N 1 -ATOM 775 C CA . TYR A 1 133 ? -15.211 -40.943 -33.312 1.00 83.45 ? 111 TYR A CA 1 -ATOM 776 C C . TYR A 1 133 ? -16.205 -41.689 -34.205 1.00 84.18 ? 111 TYR A C 1 -ATOM 777 O O . TYR A 1 133 ? -16.446 -41.309 -35.349 1.00 82.73 ? 111 TYR A O 1 -ATOM 778 C CB . TYR A 1 133 ? -15.985 -40.164 -32.239 1.00 85.28 ? 111 TYR A CB 1 -ATOM 779 C CG . TYR A 1 133 ? -16.850 -39.034 -32.767 1.00 82.39 ? 111 TYR A CG 1 -ATOM 780 C CD1 . TYR A 1 133 ? -16.287 -37.814 -33.130 1.00 82.35 ? 111 TYR A CD1 1 -ATOM 781 C CD2 . TYR A 1 133 ? -18.228 -39.185 -32.901 1.00 81.07 ? 111 TYR A CD2 1 -ATOM 782 C CE1 . TYR A 1 133 ? -17.071 -36.774 -33.607 1.00 72.46 ? 111 TYR A CE1 1 -ATOM 783 C CE2 . TYR A 1 133 ? -19.018 -38.149 -33.380 1.00 78.27 ? 111 TYR A CE2 1 -ATOM 784 C CZ . TYR A 1 133 ? -18.432 -36.947 -33.729 1.00 73.34 ? 111 TYR A CZ 1 -ATOM 785 O OH . TYR A 1 133 ? -19.204 -35.910 -34.203 1.00 76.34 ? 111 TYR A OH 1 -ATOM 786 N N . SER A 1 134 ? -16.763 -42.769 -33.659 1.00 88.97 ? 112 SER A N 1 -ATOM 787 C CA . SER A 1 134 ? -17.810 -43.541 -34.325 1.00 93.13 ? 112 SER A CA 1 -ATOM 788 C C . SER A 1 134 ? -19.201 -42.981 -34.013 1.00 101.06 ? 112 SER A C 1 -ATOM 789 O O . SER A 1 134 ? -19.712 -42.101 -34.718 1.00 98.50 ? 112 SER A O 1 -ATOM 790 C CB . SER A 1 134 ? -17.737 -45.015 -33.911 1.00 94.97 ? 112 SER A CB 1 -ATOM 791 N N . GLU A 1 135 ? -19.798 -43.480 -32.934 1.00 97.06 ? 113 GLU A N 1 -ATOM 792 C CA . GLU A 1 135 ? -21.110 -43.013 -32.519 1.00 89.75 ? 113 GLU A CA 1 -ATOM 793 C C . GLU A 1 135 ? -20.992 -41.776 -31.620 1.00 89.65 ? 113 GLU A C 1 -ATOM 794 O O . GLU A 1 135 ? -19.906 -41.450 -31.134 1.00 86.41 ? 113 GLU A O 1 -ATOM 795 C CB . GLU A 1 135 ? -21.859 -44.136 -31.796 1.00 78.29 ? 113 GLU A CB 1 -ATOM 796 N N . PHE A 1 136 ? -22.111 -41.081 -31.420 1.00 85.53 ? 114 PHE A N 1 -ATOM 797 C CA . PHE A 1 136 ? -22.157 -39.938 -30.514 1.00 80.85 ? 114 PHE A CA 1 -ATOM 798 C C . PHE A 1 136 ? -21.790 -40.334 -29.093 1.00 76.82 ? 114 PHE A C 1 -ATOM 799 O O . PHE A 1 136 ? -21.113 -39.591 -28.370 1.00 68.73 ? 114 PHE A O 1 -ATOM 800 C CB . PHE A 1 136 ? -23.539 -39.293 -30.508 1.00 79.26 ? 114 PHE A CB 1 -ATOM 801 C CG . PHE A 1 136 ? -23.767 -38.411 -29.322 1.00 77.07 ? 114 PHE A CG 1 -ATOM 802 C CD1 . PHE A 1 136 ? -23.228 -37.132 -29.285 1.00 77.94 ? 114 PHE A CD1 1 -ATOM 803 C CD2 . PHE A 1 136 ? -24.491 -38.869 -28.225 1.00 68.42 ? 114 PHE A CD2 1 -ATOM 804 C CE1 . PHE A 1 136 ? -23.415 -36.319 -28.186 1.00 67.56 ? 114 PHE A CE1 1 -ATOM 805 C CE2 . PHE A 1 136 ? -24.686 -38.065 -27.116 1.00 71.15 ? 114 PHE A CE2 1 -ATOM 806 C CZ . PHE A 1 136 ? -24.150 -36.782 -27.095 1.00 78.74 ? 114 PHE A CZ 1 -ATOM 807 N N . GLU A 1 137 ? -22.268 -41.507 -28.693 1.00 78.87 ? 115 GLU A N 1 -ATOM 808 C CA . GLU A 1 137 ? -22.002 -42.035 -27.364 1.00 75.00 ? 115 GLU A CA 1 -ATOM 809 C C . GLU A 1 137 ? -20.502 -42.009 -27.066 1.00 71.19 ? 115 GLU A C 1 -ATOM 810 O O . GLU A 1 137 ? -20.100 -41.745 -25.939 1.00 68.33 ? 115 GLU A O 1 -ATOM 811 C CB . GLU A 1 137 ? -22.571 -43.442 -27.234 1.00 72.38 ? 115 GLU A CB 1 -ATOM 812 C CG . GLU A 1 137 ? -24.091 -43.468 -27.314 1.00 83.94 ? 115 GLU A CG 1 -ATOM 813 N N . GLU A 1 138 ? -19.684 -42.258 -28.086 1.00 74.13 ? 116 GLU A N 1 -ATOM 814 C CA . GLU A 1 138 ? -18.230 -42.202 -27.943 1.00 75.39 ? 116 GLU A CA 1 -ATOM 815 C C . GLU A 1 138 ? -17.721 -40.788 -27.633 1.00 69.44 ? 116 GLU A C 1 -ATOM 816 O O . GLU A 1 138 ? -16.857 -40.603 -26.774 1.00 62.63 ? 116 GLU A O 1 -ATOM 817 C CB . GLU A 1 138 ? -17.549 -42.723 -29.214 1.00 75.03 ? 116 GLU A CB 1 -ATOM 818 C CG . GLU A 1 138 ? -16.032 -42.822 -29.104 1.00 72.63 ? 116 GLU A CG 1 -ATOM 819 C CD . GLU A 1 138 ? -15.380 -43.369 -30.367 1.00 92.24 ? 116 GLU A CD 1 -ATOM 820 O OE1 . GLU A 1 138 ? -16.116 -43.835 -31.269 1.00 93.26 ? 116 GLU A OE1 1 -ATOM 821 O OE2 . GLU A 1 138 ? -14.130 -43.346 -30.451 1.00 85.03 ? 116 GLU A OE2 1 -ATOM 822 N N . LEU A 1 139 ? -18.231 -39.791 -28.343 1.00 71.43 ? 117 LEU A N 1 -ATOM 823 C CA . LEU A 1 139 ? -17.791 -38.423 -28.101 1.00 63.94 ? 117 LEU A CA 1 -ATOM 824 C C . LEU A 1 139 ? -18.194 -37.989 -26.702 1.00 65.32 ? 117 LEU A C 1 -ATOM 825 O O . LEU A 1 139 ? -17.426 -37.336 -25.992 1.00 60.06 ? 117 LEU A O 1 -ATOM 826 C CB . LEU A 1 139 ? -18.381 -37.474 -29.126 1.00 66.54 ? 117 LEU A CB 1 -ATOM 827 C CG . LEU A 1 139 ? -17.838 -36.055 -29.033 1.00 62.52 ? 117 LEU A CG 1 -ATOM 828 C CD1 . LEU A 1 139 ? -16.430 -35.983 -29.603 1.00 56.15 ? 117 LEU A CD1 1 -ATOM 829 C CD2 . LEU A 1 139 ? -18.774 -35.110 -29.765 1.00 64.17 ? 117 LEU A CD2 1 -ATOM 830 N N . GLU A 1 140 ? -19.397 -38.394 -26.303 1.00 67.93 ? 118 GLU A N 1 -ATOM 831 C CA . GLU A 1 140 ? -19.938 -38.048 -24.995 1.00 61.47 ? 118 GLU A CA 1 -ATOM 832 C C . GLU A 1 140 ? -19.078 -38.617 -23.866 1.00 57.56 ? 118 GLU A C 1 -ATOM 833 O O . GLU A 1 140 ? -18.752 -37.895 -22.929 1.00 52.69 ? 118 GLU A O 1 -ATOM 834 C CB . GLU A 1 140 ? -21.389 -38.536 -24.875 1.00 63.75 ? 118 GLU A CB 1 -ATOM 835 C CG . GLU A 1 140 ? -22.061 -38.221 -23.539 1.00 67.37 ? 118 GLU A CG 1 -ATOM 836 C CD . GLU A 1 140 ? -23.511 -38.720 -23.458 1.00 75.88 ? 118 GLU A CD 1 -ATOM 837 O OE1 . GLU A 1 140 ? -23.916 -39.550 -24.304 1.00 76.18 ? 118 GLU A OE1 1 -ATOM 838 O OE2 . GLU A 1 140 ? -24.254 -38.265 -22.552 1.00 72.14 ? 118 GLU A OE2 1 -ATOM 839 N N . ARG A 1 141 ? -18.693 -39.894 -23.958 1.00 65.82 ? 119 ARG A N 1 -ATOM 840 C CA . ARG A 1 141 ? -17.763 -40.491 -22.984 1.00 51.38 ? 119 ARG A CA 1 -ATOM 841 C C . ARG A 1 141 ? -16.469 -39.687 -22.885 1.00 45.81 ? 119 ARG A C 1 -ATOM 842 O O . ARG A 1 141 ? -15.995 -39.391 -21.790 1.00 54.30 ? 119 ARG A O 1 -ATOM 843 C CB . ARG A 1 141 ? -17.434 -41.943 -23.350 1.00 53.06 ? 119 ARG A CB 1 -ATOM 844 C CG . ARG A 1 141 ? -18.430 -42.967 -22.811 1.00 66.66 ? 119 ARG A CG 1 -ATOM 845 C CD . ARG A 1 141 ? -17.954 -44.415 -23.005 1.00 72.82 ? 119 ARG A CD 1 -ATOM 846 N NE . ARG A 1 141 ? -17.993 -44.812 -24.410 1.00 72.69 ? 119 ARG A NE 1 -ATOM 847 C CZ . ARG A 1 141 ? -19.100 -45.175 -25.054 1.00 78.12 ? 119 ARG A CZ 1 -ATOM 848 N NH1 . ARG A 1 141 ? -20.261 -45.204 -24.408 1.00 78.65 ? 119 ARG A NH1 1 -ATOM 849 N NH2 . ARG A 1 141 ? -19.049 -45.515 -26.340 1.00 74.71 ? 119 ARG A NH2 1 -ATOM 850 N N . LYS A 1 142 ? -15.907 -39.324 -24.031 1.00 47.41 ? 120 LYS A N 1 -ATOM 851 C CA . LYS A 1 142 ? -14.657 -38.577 -24.058 1.00 48.72 ? 120 LYS A CA 1 -ATOM 852 C C . LYS A 1 142 ? -14.853 -37.208 -23.414 1.00 52.30 ? 120 LYS A C 1 -ATOM 853 O O . LYS A 1 142 ? -13.963 -36.702 -22.733 1.00 51.52 ? 120 LYS A O 1 -ATOM 854 C CB . LYS A 1 142 ? -14.141 -38.452 -25.493 1.00 53.74 ? 120 LYS A CB 1 -ATOM 855 N N . TYR A 1 143 ? -16.032 -36.617 -23.609 1.00 60.95 ? 121 TYR A N 1 -ATOM 856 C CA . TYR A 1 143 ? -16.344 -35.339 -22.960 1.00 52.42 ? 121 TYR A CA 1 -ATOM 857 C C . TYR A 1 143 ? -16.299 -35.423 -21.439 1.00 49.64 ? 121 TYR A C 1 -ATOM 858 O O . TYR A 1 143 ? -15.598 -34.636 -20.791 1.00 44.51 ? 121 TYR A O 1 -ATOM 859 C CB . TYR A 1 143 ? -17.711 -34.816 -23.391 1.00 59.22 ? 121 TYR A CB 1 -ATOM 860 C CG . TYR A 1 143 ? -18.125 -33.615 -22.575 1.00 60.95 ? 121 TYR A CG 1 -ATOM 861 C CD1 . TYR A 1 143 ? -17.495 -32.382 -22.741 1.00 59.10 ? 121 TYR A CD1 1 -ATOM 862 C CD2 . TYR A 1 143 ? -19.132 -33.718 -21.620 1.00 58.93 ? 121 TYR A CD2 1 -ATOM 863 C CE1 . TYR A 1 143 ? -17.857 -31.284 -21.970 1.00 54.67 ? 121 TYR A CE1 1 -ATOM 864 C CE2 . TYR A 1 143 ? -19.517 -32.627 -20.864 1.00 57.37 ? 121 TYR A CE2 1 -ATOM 865 C CZ . TYR A 1 143 ? -18.873 -31.417 -21.040 1.00 60.85 ? 121 TYR A CZ 1 -ATOM 866 O OH . TYR A 1 143 ? -19.262 -30.350 -20.274 1.00 48.84 ? 121 TYR A OH 1 -ATOM 867 N N . TRP A 1 144 ? -17.033 -36.382 -20.871 1.00 50.64 ? 122 TRP A N 1 -ATOM 868 C CA . TRP A 1 144 ? -17.117 -36.531 -19.410 1.00 47.17 ? 122 TRP A CA 1 -ATOM 869 C C . TRP A 1 144 ? -15.834 -37.099 -18.795 1.00 49.20 ? 122 TRP A C 1 -ATOM 870 O O . TRP A 1 144 ? -15.631 -37.007 -17.576 1.00 51.25 ? 122 TRP A O 1 -ATOM 871 C CB . TRP A 1 144 ? -18.339 -37.395 -19.032 1.00 52.19 ? 122 TRP A CB 1 -ATOM 872 C CG . TRP A 1 144 ? -19.638 -36.648 -19.288 1.00 48.96 ? 122 TRP A CG 1 -ATOM 873 C CD1 . TRP A 1 144 ? -20.518 -36.849 -20.317 1.00 50.35 ? 122 TRP A CD1 1 -ATOM 874 C CD2 . TRP A 1 144 ? -20.150 -35.554 -18.535 1.00 37.09 ? 122 TRP A CD2 1 -ATOM 875 N NE1 . TRP A 1 144 ? -21.547 -35.954 -20.243 1.00 49.80 ? 122 TRP A NE1 1 -ATOM 876 C CE2 . TRP A 1 144 ? -21.346 -35.142 -19.156 1.00 49.51 ? 122 TRP A CE2 1 -ATOM 877 C CE3 . TRP A 1 144 ? -19.714 -34.878 -17.391 1.00 42.74 ? 122 TRP A CE3 1 -ATOM 878 C CZ2 . TRP A 1 144 ? -22.120 -34.086 -18.665 1.00 33.49 ? 122 TRP A CZ2 1 -ATOM 879 C CZ3 . TRP A 1 144 ? -20.483 -33.834 -16.907 1.00 45.67 ? 122 TRP A CZ3 1 -ATOM 880 C CH2 . TRP A 1 144 ? -21.670 -33.449 -17.544 1.00 40.26 ? 122 TRP A CH2 1 -ATOM 881 N N . LYS A 1 145 ? -14.956 -37.656 -19.627 1.00 47.24 ? 123 LYS A N 1 -ATOM 882 C CA . LYS A 1 145 ? -13.682 -38.171 -19.122 1.00 45.92 ? 123 LYS A CA 1 -ATOM 883 C C . LYS A 1 145 ? -12.605 -37.079 -19.156 1.00 50.13 ? 123 LYS A C 1 -ATOM 884 O O . LYS A 1 145 ? -11.771 -36.990 -18.255 1.00 49.76 ? 123 LYS A O 1 -ATOM 885 C CB . LYS A 1 145 ? -13.231 -39.403 -19.924 1.00 41.28 ? 123 LYS A CB 1 -ATOM 886 N N . ASN A 1 146 ? -12.637 -36.215 -20.164 1.00 54.32 ? 124 ASN A N 1 -ATOM 887 C CA . ASN A 1 146 ? -11.582 -35.210 -20.287 1.00 54.49 ? 124 ASN A CA 1 -ATOM 888 C C . ASN A 1 146 ? -11.996 -33.786 -19.940 1.00 57.66 ? 124 ASN A C 1 -ATOM 889 O O . ASN A 1 146 ? -11.261 -32.846 -20.211 1.00 58.10 ? 124 ASN A O 1 -ATOM 890 C CB . ASN A 1 146 ? -11.013 -35.235 -21.704 1.00 54.66 ? 124 ASN A CB 1 -ATOM 891 C CG . ASN A 1 146 ? -10.364 -36.558 -22.038 1.00 52.89 ? 124 ASN A CG 1 -ATOM 892 O OD1 . ASN A 1 146 ? -9.345 -36.917 -21.456 1.00 61.25 ? 124 ASN A OD1 1 -ATOM 893 N ND2 . ASN A 1 146 ? -10.940 -37.280 -22.986 1.00 46.56 ? 124 ASN A ND2 1 -ATOM 894 N N . LEU A 1 147 ? -13.155 -33.653 -19.313 1.00 54.89 ? 125 LEU A N 1 -ATOM 895 C CA . LEU A 1 147 ? -13.747 -32.361 -18.962 1.00 59.82 ? 125 LEU A CA 1 -ATOM 896 C C . LEU A 1 147 ? -12.749 -31.416 -18.289 1.00 59.68 ? 125 LEU A C 1 -ATOM 897 O O . LEU A 1 147 ? -12.758 -30.204 -18.537 1.00 57.90 ? 125 LEU A O 1 -ATOM 898 C CB . LEU A 1 147 ? -14.956 -32.596 -18.040 1.00 49.49 ? 125 LEU A CB 1 -ATOM 899 C CG . LEU A 1 147 ? -15.787 -31.399 -17.639 1.00 53.72 ? 125 LEU A CG 1 -ATOM 900 C CD1 . LEU A 1 147 ? -16.186 -30.685 -18.918 1.00 72.53 ? 125 LEU A CD1 1 -ATOM 901 C CD2 . LEU A 1 147 ? -17.015 -31.865 -16.904 1.00 51.13 ? 125 LEU A CD2 1 -ATOM 902 N N . THR A 1 148 ? -11.894 -31.981 -17.435 1.00 57.73 ? 126 THR A N 1 -ATOM 903 C CA . THR A 1 148 ? -11.021 -31.197 -16.564 1.00 49.35 ? 126 THR A CA 1 -ATOM 904 C C . THR A 1 148 ? -9.579 -31.048 -17.036 1.00 55.83 ? 126 THR A C 1 -ATOM 905 O O . THR A 1 148 ? -8.714 -30.616 -16.251 1.00 52.84 ? 126 THR A O 1 -ATOM 906 C CB . THR A 1 148 ? -10.971 -31.800 -15.180 1.00 53.31 ? 126 THR A CB 1 -ATOM 907 O OG1 . THR A 1 148 ? -10.209 -33.010 -15.228 1.00 46.11 ? 126 THR A OG1 1 -ATOM 908 C CG2 . THR A 1 148 ? -12.395 -32.088 -14.690 1.00 43.82 ? 126 THR A CG2 1 -ATOM 909 N N . PHE A 1 149 ? -9.312 -31.419 -18.292 1.00 57.87 ? 127 PHE A N 1 -ATOM 910 C CA . PHE A 1 149 ? -7.968 -31.298 -18.885 1.00 55.36 ? 127 PHE A CA 1 -ATOM 911 C C . PHE A 1 149 ? -8.011 -30.312 -20.072 1.00 59.55 ? 127 PHE A C 1 -ATOM 912 O O . PHE A 1 149 ? -9.088 -30.045 -20.601 1.00 57.85 ? 127 PHE A O 1 -ATOM 913 C CB . PHE A 1 149 ? -7.448 -32.670 -19.333 1.00 51.94 ? 127 PHE A CB 1 -ATOM 914 C CG . PHE A 1 149 ? -7.624 -33.758 -18.298 1.00 49.22 ? 127 PHE A CG 1 -ATOM 915 C CD1 . PHE A 1 149 ? -7.358 -33.517 -16.960 1.00 48.30 ? 127 PHE A CD1 1 -ATOM 916 C CD2 . PHE A 1 149 ? -8.123 -35.004 -18.662 1.00 47.71 ? 127 PHE A CD2 1 -ATOM 917 C CE1 . PHE A 1 149 ? -7.543 -34.511 -16.003 1.00 50.23 ? 127 PHE A CE1 1 -ATOM 918 C CE2 . PHE A 1 149 ? -8.325 -36.007 -17.710 1.00 48.65 ? 127 PHE A CE2 1 -ATOM 919 C CZ . PHE A 1 149 ? -8.040 -35.758 -16.378 1.00 45.44 ? 127 PHE A CZ 1 -ATOM 920 N N . ASN A 1 150 ? -6.857 -29.765 -20.468 1.00 58.92 ? 128 ASN A N 1 -ATOM 921 C CA . ASN A 1 150 ? -6.770 -28.759 -21.545 1.00 57.38 ? 128 ASN A CA 1 -ATOM 922 C C . ASN A 1 150 ? -7.922 -27.742 -21.591 1.00 56.78 ? 128 ASN A C 1 -ATOM 923 O O . ASN A 1 150 ? -8.726 -27.754 -22.529 1.00 56.43 ? 128 ASN A O 1 -ATOM 924 C CB . ASN A 1 150 ? -6.650 -29.453 -22.907 1.00 51.78 ? 128 ASN A CB 1 -ATOM 925 C CG . ASN A 1 150 ? -5.336 -30.192 -23.064 1.00 75.86 ? 128 ASN A CG 1 -ATOM 926 O OD1 . ASN A 1 150 ? -4.344 -29.614 -23.520 1.00 86.01 ? 128 ASN A OD1 1 -ATOM 927 N ND2 . ASN A 1 150 ? -5.309 -31.462 -22.668 1.00 74.58 ? 128 ASN A ND2 1 -ATOM 928 N N . PRO A 1 151 ? -8.001 -26.866 -20.578 1.00 47.29 ? 129 PRO A N 1 -ATOM 929 C CA . PRO A 1 151 ? -9.071 -25.866 -20.469 1.00 54.84 ? 129 PRO A CA 1 -ATOM 930 C C . PRO A 1 151 ? -9.253 -25.040 -21.734 1.00 60.02 ? 129 PRO A C 1 -ATOM 931 O O . PRO A 1 151 ? -8.384 -24.223 -22.055 1.00 67.54 ? 129 PRO A O 1 -ATOM 932 C CB . PRO A 1 151 ? -8.608 -24.988 -19.308 1.00 49.81 ? 129 PRO A CB 1 -ATOM 933 C CG . PRO A 1 151 ? -7.771 -25.893 -18.467 1.00 53.52 ? 129 PRO A CG 1 -ATOM 934 C CD . PRO A 1 151 ? -7.101 -26.848 -19.411 1.00 44.66 ? 129 PRO A CD 1 -ATOM 935 N N . PRO A 1 152 ? -10.383 -25.245 -22.438 1.00 56.50 ? 130 PRO A N 1 -ATOM 936 C CA . PRO A 1 152 ? -10.737 -24.552 -23.684 1.00 57.62 ? 130 PRO A CA 1 -ATOM 937 C C . PRO A 1 152 ? -11.164 -23.111 -23.464 1.00 56.78 ? 130 PRO A C 1 -ATOM 938 O O . PRO A 1 152 ? -11.352 -22.688 -22.326 1.00 56.58 ? 130 PRO A O 1 -ATOM 939 C CB . PRO A 1 152 ? -11.910 -25.369 -24.211 1.00 57.47 ? 130 PRO A CB 1 -ATOM 940 C CG . PRO A 1 152 ? -12.586 -25.827 -22.955 1.00 58.73 ? 130 PRO A CG 1 -ATOM 941 C CD . PRO A 1 152 ? -11.465 -26.143 -21.996 1.00 60.42 ? 130 PRO A CD 1 -ATOM 942 N N . ILE A 1 153 ? -11.319 -22.369 -24.554 1.00 62.68 ? 131 ILE A N 1 -ATOM 943 C CA . ILE A 1 153 ? -11.799 -21.000 -24.468 1.00 64.38 ? 131 ILE A CA 1 -ATOM 944 C C . ILE A 1 153 ? -13.197 -20.912 -25.072 1.00 60.94 ? 131 ILE A C 1 -ATOM 945 O O . ILE A 1 153 ? -13.477 -21.486 -26.126 1.00 53.30 ? 131 ILE A O 1 -ATOM 946 C CB . ILE A 1 153 ? -10.860 -19.987 -25.186 1.00 59.12 ? 131 ILE A CB 1 -ATOM 947 C CG1 . ILE A 1 153 ? -9.594 -19.724 -24.372 1.00 59.78 ? 131 ILE A CG1 1 -ATOM 948 C CG2 . ILE A 1 153 ? -11.566 -18.669 -25.414 1.00 53.69 ? 131 ILE A CG2 1 -ATOM 949 C CD1 . ILE A 1 153 ? -8.502 -20.717 -24.605 1.00 63.48 ? 131 ILE A CD1 1 -ATOM 950 N N . TYR A 1 154 ? -14.068 -20.172 -24.397 1.00 49.52 ? 132 TYR A N 1 -ATOM 951 C CA . TYR A 1 154 ? -15.434 -20.049 -24.835 1.00 56.71 ? 132 TYR A CA 1 -ATOM 952 C C . TYR A 1 154 ? -15.685 -18.568 -25.033 1.00 56.03 ? 132 TYR A C 1 -ATOM 953 O O . TYR A 1 154 ? -15.495 -17.763 -24.120 1.00 55.60 ? 132 TYR A O 1 -ATOM 954 C CB . TYR A 1 154 ? -16.361 -20.683 -23.800 1.00 50.83 ? 132 TYR A CB 1 -ATOM 955 C CG . TYR A 1 154 ? -17.799 -20.841 -24.192 1.00 54.24 ? 132 TYR A CG 1 -ATOM 956 C CD1 . TYR A 1 154 ? -18.120 -21.432 -25.381 1.00 56.68 ? 132 TYR A CD1 1 -ATOM 957 C CD2 . TYR A 1 154 ? -18.824 -20.586 -23.304 1.00 52.56 ? 132 TYR A CD2 1 -ATOM 958 C CE1 . TYR A 1 154 ? -19.409 -21.635 -25.751 1.00 58.60 ? 132 TYR A CE1 1 -ATOM 959 C CE2 . TYR A 1 154 ? -20.139 -20.818 -23.665 1.00 55.82 ? 132 TYR A CE2 1 -ATOM 960 C CZ . TYR A 1 154 ? -20.414 -21.350 -24.899 1.00 52.69 ? 132 TYR A CZ 1 -ATOM 961 O OH . TYR A 1 154 ? -21.691 -21.616 -25.335 1.00 65.24 ? 132 TYR A OH 1 -ATOM 962 N N . GLY A 1 155 ? -16.016 -18.206 -26.267 1.00 60.21 ? 133 GLY A N 1 -ATOM 963 C CA . GLY A 1 155 ? -16.322 -16.825 -26.608 1.00 62.85 ? 133 GLY A CA 1 -ATOM 964 C C . GLY A 1 155 ? -17.789 -16.569 -26.339 1.00 53.32 ? 133 GLY A C 1 -ATOM 965 O O . GLY A 1 155 ? -18.603 -16.566 -27.251 1.00 53.62 ? 133 GLY A O 1 -ATOM 966 N N . ALA A 1 156 ? -18.136 -16.422 -25.071 1.00 60.60 ? 134 ALA A N 1 -ATOM 967 C CA . ALA A 1 156 ? -19.537 -16.314 -24.693 1.00 65.53 ? 134 ALA A CA 1 -ATOM 968 C C . ALA A 1 156 ? -19.956 -14.864 -24.491 1.00 64.08 ? 134 ALA A C 1 -ATOM 969 O O . ALA A 1 156 ? -19.112 -13.958 -24.419 1.00 63.07 ? 134 ALA A O 1 -ATOM 970 C CB . ALA A 1 156 ? -19.807 -17.121 -23.447 1.00 62.06 ? 134 ALA A CB 1 -ATOM 971 N N . ASP A 1 157 ? -21.268 -14.659 -24.395 1.00 70.73 ? 135 ASP A N 1 -ATOM 972 C CA . ASP A 1 157 ? -21.844 -13.355 -24.069 1.00 56.04 ? 135 ASP A CA 1 -ATOM 973 C C . ASP A 1 157 ? -21.311 -12.258 -24.981 1.00 58.82 ? 135 ASP A C 1 -ATOM 974 O O . ASP A 1 157 ? -20.792 -11.247 -24.508 1.00 49.86 ? 135 ASP A O 1 -ATOM 975 C CB . ASP A 1 157 ? -21.533 -13.001 -22.607 1.00 58.23 ? 135 ASP A CB 1 -ATOM 976 C CG . ASP A 1 157 ? -22.239 -13.935 -21.602 1.00 74.66 ? 135 ASP A CG 1 -ATOM 977 O OD1 . ASP A 1 157 ? -22.658 -15.049 -22.002 1.00 58.55 ? 135 ASP A OD1 1 -ATOM 978 O OD2 . ASP A 1 157 ? -22.383 -13.552 -20.415 1.00 75.20 ? 135 ASP A OD2 1 -ATOM 979 N N . VAL A 1 158 ? -21.472 -12.439 -26.287 1.00 62.06 ? 136 VAL A N 1 -ATOM 980 C CA . VAL A 1 158 ? -20.997 -11.448 -27.251 1.00 62.68 ? 136 VAL A CA 1 -ATOM 981 C C . VAL A 1 158 ? -22.194 -10.716 -27.846 1.00 61.84 ? 136 VAL A C 1 -ATOM 982 O O . VAL A 1 158 ? -22.954 -11.301 -28.628 1.00 53.08 ? 136 VAL A O 1 -ATOM 983 C CB . VAL A 1 158 ? -20.201 -12.083 -28.397 1.00 57.15 ? 136 VAL A CB 1 -ATOM 984 C CG1 . VAL A 1 158 ? -19.646 -10.985 -29.310 1.00 53.45 ? 136 VAL A CG1 1 -ATOM 985 C CG2 . VAL A 1 158 ? -19.081 -12.932 -27.858 1.00 61.46 ? 136 VAL A CG2 1 -ATOM 986 N N . ASN A 1 159 ? -22.381 -9.459 -27.452 1.00 57.51 ? 137 ASN A N 1 -ATOM 987 C CA . ASN A 1 159 ? -23.536 -8.701 -27.922 1.00 55.32 ? 137 ASN A CA 1 -ATOM 988 C C . ASN A 1 159 ? -23.524 -8.578 -29.431 1.00 56.15 ? 137 ASN A C 1 -ATOM 989 O O . ASN A 1 159 ? -22.501 -8.232 -30.015 1.00 71.06 ? 137 ASN A O 1 -ATOM 990 C CB . ASN A 1 159 ? -23.586 -7.324 -27.266 1.00 43.64 ? 137 ASN A CB 1 -ATOM 991 C CG . ASN A 1 159 ? -24.088 -7.386 -25.832 1.00 60.65 ? 137 ASN A CG 1 -ATOM 992 O OD1 . ASN A 1 159 ? -25.295 -7.507 -25.587 1.00 72.17 ? 137 ASN A OD1 1 -ATOM 993 N ND2 . ASN A 1 159 ? -23.175 -7.269 -24.878 1.00 60.12 ? 137 ASN A ND2 1 -ATOM 994 N N . GLY A 1 160 ? -24.656 -8.870 -30.066 1.00 51.58 ? 138 GLY A N 1 -ATOM 995 C CA . GLY A 1 160 ? -24.725 -8.843 -31.514 1.00 48.95 ? 138 GLY A CA 1 -ATOM 996 C C . GLY A 1 160 ? -25.678 -9.855 -32.094 1.00 53.87 ? 138 GLY A C 1 -ATOM 997 O O . GLY A 1 160 ? -26.175 -10.714 -31.377 1.00 58.13 ? 138 GLY A O 1 -ATOM 998 N N . THR A 1 161 ? -25.945 -9.728 -33.396 1.00 65.44 ? 139 THR A N 1 -ATOM 999 C CA . THR A 1 161 ? -26.817 -10.640 -34.138 1.00 63.22 ? 139 THR A CA 1 -ATOM 1000 C C . THR A 1 161 ? -26.154 -10.996 -35.469 1.00 61.66 ? 139 THR A C 1 -ATOM 1001 O O . THR A 1 161 ? -25.328 -10.243 -35.969 1.00 60.95 ? 139 THR A O 1 -ATOM 1002 C CB . THR A 1 161 ? -28.206 -10.029 -34.410 1.00 62.17 ? 139 THR A CB 1 -ATOM 1003 O OG1 . THR A 1 161 ? -28.932 -10.879 -35.310 1.00 67.46 ? 139 THR A OG1 1 -ATOM 1004 C CG2 . THR A 1 161 ? -28.068 -8.667 -35.061 1.00 54.54 ? 139 THR A CG2 1 -ATOM 1005 N N . LEU A 1 162 ? -26.534 -12.123 -36.060 1.00 65.07 ? 140 LEU A N 1 -ATOM 1006 C CA . LEU A 1 162 ? -26.034 -12.470 -37.390 1.00 68.57 ? 140 LEU A CA 1 -ATOM 1007 C C . LEU A 1 162 ? -27.181 -12.555 -38.398 1.00 67.97 ? 140 LEU A C 1 -ATOM 1008 O O . LEU A 1 162 ? -26.974 -12.883 -39.563 1.00 66.21 ? 140 LEU A O 1 -ATOM 1009 C CB . LEU A 1 162 ? -25.248 -13.781 -37.359 1.00 62.87 ? 140 LEU A CB 1 -ATOM 1010 C CG . LEU A 1 162 ? -23.935 -13.742 -36.576 1.00 69.15 ? 140 LEU A CG 1 -ATOM 1011 C CD1 . LEU A 1 162 ? -23.160 -15.015 -36.830 1.00 70.34 ? 140 LEU A CD1 1 -ATOM 1012 C CD2 . LEU A 1 162 ? -23.092 -12.511 -36.888 1.00 62.23 ? 140 LEU A CD2 1 -ATOM 1013 N N . TYR A 1 163 ? -28.393 -12.277 -37.931 1.00 67.96 ? 141 TYR A N 1 -ATOM 1014 C CA . TYR A 1 163 ? -29.539 -12.123 -38.815 1.00 65.70 ? 141 TYR A CA 1 -ATOM 1015 C C . TYR A 1 163 ? -29.354 -10.911 -39.739 1.00 75.74 ? 141 TYR A C 1 -ATOM 1016 O O . TYR A 1 163 ? -28.892 -9.850 -39.309 1.00 68.56 ? 141 TYR A O 1 -ATOM 1017 C CB . TYR A 1 163 ? -30.833 -11.962 -38.005 1.00 60.34 ? 141 TYR A CB 1 -ATOM 1018 C CG . TYR A 1 163 ? -31.361 -13.245 -37.414 1.00 64.60 ? 141 TYR A CG 1 -ATOM 1019 C CD1 . TYR A 1 163 ? -30.736 -13.840 -36.323 1.00 67.55 ? 141 TYR A CD1 1 -ATOM 1020 C CD2 . TYR A 1 163 ? -32.475 -13.872 -37.952 1.00 71.73 ? 141 TYR A CD2 1 -ATOM 1021 C CE1 . TYR A 1 163 ? -31.209 -15.014 -35.778 1.00 64.09 ? 141 TYR A CE1 1 -ATOM 1022 C CE2 . TYR A 1 163 ? -32.959 -15.054 -37.419 1.00 72.61 ? 141 TYR A CE2 1 -ATOM 1023 C CZ . TYR A 1 163 ? -32.320 -15.625 -36.332 1.00 71.31 ? 141 TYR A CZ 1 -ATOM 1024 O OH . TYR A 1 163 ? -32.802 -16.802 -35.794 1.00 60.25 ? 141 TYR A OH 1 -ATOM 1025 N N . GLU A 1 164 ? -29.675 -11.087 -41.017 1.00 73.56 ? 142 GLU A N 1 -ATOM 1026 C CA . GLU A 1 164 ? -29.847 -9.954 -41.921 1.00 76.40 ? 142 GLU A CA 1 -ATOM 1027 C C . GLU A 1 164 ? -31.085 -9.150 -41.497 1.00 84.13 ? 142 GLU A C 1 -ATOM 1028 O O . GLU A 1 164 ? -32.008 -9.708 -40.900 1.00 86.41 ? 142 GLU A O 1 -ATOM 1029 C CB . GLU A 1 164 ? -29.981 -10.430 -43.364 1.00 79.87 ? 142 GLU A CB 1 -ATOM 1030 N N . LYS A 1 165 ? -31.100 -7.849 -41.791 1.00 84.45 ? 143 LYS A N 1 -ATOM 1031 C CA . LYS A 1 165 ? -32.150 -6.941 -41.295 1.00 86.30 ? 143 LYS A CA 1 -ATOM 1032 C C . LYS A 1 165 ? -33.563 -7.257 -41.804 1.00 86.51 ? 143 LYS A C 1 -ATOM 1033 O O . LYS A 1 165 ? -34.546 -6.893 -41.164 1.00 85.42 ? 143 LYS A O 1 -ATOM 1034 C CB . LYS A 1 165 ? -31.812 -5.491 -41.665 1.00 70.69 ? 143 LYS A CB 1 -ATOM 1035 N N . HIS A 1 166 ? -33.656 -7.923 -42.953 1.00 87.47 ? 144 HIS A N 1 -ATOM 1036 C CA . HIS A 1 166 ? -34.937 -8.176 -43.618 1.00 87.85 ? 144 HIS A CA 1 -ATOM 1037 C C . HIS A 1 166 ? -35.624 -9.481 -43.192 1.00 95.14 ? 144 HIS A C 1 -ATOM 1038 O O . HIS A 1 166 ? -36.787 -9.718 -43.546 1.00 89.10 ? 144 HIS A O 1 -ATOM 1039 C CB . HIS A 1 166 ? -34.738 -8.198 -45.133 1.00 90.81 ? 144 HIS A CB 1 -ATOM 1040 C CG . HIS A 1 166 ? -33.937 -9.369 -45.605 1.00 92.78 ? 144 HIS A CG 1 -ATOM 1041 N ND1 . HIS A 1 166 ? -32.559 -9.371 -45.614 1.00 96.01 ? 144 HIS A ND1 1 -ATOM 1042 C CD2 . HIS A 1 166 ? -34.321 -10.588 -46.052 1.00 90.49 ? 144 HIS A CD2 1 -ATOM 1043 C CE1 . HIS A 1 166 ? -32.127 -10.538 -46.061 1.00 99.88 ? 144 HIS A CE1 1 -ATOM 1044 N NE2 . HIS A 1 166 ? -33.175 -11.294 -46.333 1.00 103.04 ? 144 HIS A NE2 1 -ATOM 1045 N N . VAL A 1 167 ? -34.909 -10.343 -42.467 1.00 91.70 ? 145 VAL A N 1 -ATOM 1046 C CA . VAL A 1 167 ? -35.501 -11.600 -42.013 1.00 87.19 ? 145 VAL A CA 1 -ATOM 1047 C C . VAL A 1 167 ? -36.579 -11.284 -40.974 1.00 85.65 ? 145 VAL A C 1 -ATOM 1048 O O . VAL A 1 167 ? -36.286 -10.716 -39.921 1.00 88.65 ? 145 VAL A O 1 -ATOM 1049 C CB . VAL A 1 167 ? -34.438 -12.560 -41.427 1.00 77.94 ? 145 VAL A CB 1 -ATOM 1050 N N . ASP A 1 168 ? -37.827 -11.627 -41.283 1.00 85.61 ? 146 ASP A N 1 -ATOM 1051 C CA . ASP A 1 168 ? -38.952 -11.242 -40.431 1.00 87.33 ? 146 ASP A CA 1 -ATOM 1052 C C . ASP A 1 168 ? -39.658 -12.434 -39.768 1.00 83.40 ? 146 ASP A C 1 -ATOM 1053 O O . ASP A 1 168 ? -40.678 -12.264 -39.089 1.00 83.01 ? 146 ASP A O 1 -ATOM 1054 C CB . ASP A 1 168 ? -39.960 -10.419 -41.244 1.00 84.94 ? 146 ASP A CB 1 -ATOM 1055 N N . GLU A 1 169 ? -39.138 -13.638 -39.991 1.00 78.45 ? 147 GLU A N 1 -ATOM 1056 C CA . GLU A 1 169 ? -39.645 -14.833 -39.310 1.00 81.60 ? 147 GLU A CA 1 -ATOM 1057 C C . GLU A 1 169 ? -38.596 -15.386 -38.356 1.00 75.52 ? 147 GLU A C 1 -ATOM 1058 O O . GLU A 1 169 ? -37.470 -15.669 -38.766 1.00 79.85 ? 147 GLU A O 1 -ATOM 1059 C CB . GLU A 1 169 ? -40.064 -15.931 -40.292 1.00 78.72 ? 147 GLU A CB 1 -ATOM 1060 C CG . GLU A 1 169 ? -41.020 -15.494 -41.376 1.00 79.46 ? 147 GLU A CG 1 -ATOM 1061 C CD . GLU A 1 169 ? -40.319 -15.112 -42.660 1.00 86.91 ? 147 GLU A CD 1 -ATOM 1062 O OE1 . GLU A 1 169 ? -39.070 -15.184 -42.720 1.00 90.39 ? 147 GLU A OE1 1 -ATOM 1063 O OE2 . GLU A 1 169 ? -41.027 -14.753 -43.622 1.00 94.33 ? 147 GLU A OE2 1 -ATOM 1064 N N . TRP A 1 170 ? -38.970 -15.522 -37.087 1.00 70.70 ? 148 TRP A N 1 -ATOM 1065 C CA . TRP A 1 170 ? -38.085 -16.064 -36.062 1.00 66.43 ? 148 TRP A CA 1 -ATOM 1066 C C . TRP A 1 170 ? -36.787 -15.281 -35.991 1.00 61.17 ? 148 TRP A C 1 -ATOM 1067 O O . TRP A 1 170 ? -35.703 -15.855 -35.964 1.00 65.90 ? 148 TRP A O 1 -ATOM 1068 C CB . TRP A 1 170 ? -37.799 -17.557 -36.315 1.00 57.39 ? 148 TRP A CB 1 -ATOM 1069 C CG . TRP A 1 170 ? -38.990 -18.427 -36.044 1.00 64.31 ? 148 TRP A CG 1 -ATOM 1070 C CD1 . TRP A 1 170 ? -40.223 -18.329 -36.620 1.00 62.82 ? 148 TRP A CD1 1 -ATOM 1071 C CD2 . TRP A 1 170 ? -39.070 -19.512 -35.113 1.00 58.31 ? 148 TRP A CD2 1 -ATOM 1072 N NE1 . TRP A 1 170 ? -41.065 -19.295 -36.114 1.00 59.34 ? 148 TRP A NE1 1 -ATOM 1073 C CE2 . TRP A 1 170 ? -40.379 -20.031 -35.185 1.00 58.84 ? 148 TRP A CE2 1 -ATOM 1074 C CE3 . TRP A 1 170 ? -38.162 -20.098 -34.230 1.00 56.84 ? 148 TRP A CE3 1 -ATOM 1075 C CZ2 . TRP A 1 170 ? -40.797 -21.105 -34.410 1.00 59.69 ? 148 TRP A CZ2 1 -ATOM 1076 C CZ3 . TRP A 1 170 ? -38.583 -21.167 -33.463 1.00 54.48 ? 148 TRP A CZ3 1 -ATOM 1077 C CH2 . TRP A 1 170 ? -39.887 -21.655 -33.555 1.00 49.60 ? 148 TRP A CH2 1 -ATOM 1078 N N . ASN A 1 171 ? -36.901 -13.964 -35.981 1.00 61.91 ? 149 ASN A N 1 -ATOM 1079 C CA . ASN A 1 171 ? -35.733 -13.120 -35.805 1.00 62.69 ? 149 ASN A CA 1 -ATOM 1080 C C . ASN A 1 171 ? -35.457 -12.914 -34.323 1.00 67.76 ? 149 ASN A C 1 -ATOM 1081 O O . ASN A 1 171 ? -36.194 -12.208 -33.630 1.00 67.30 ? 149 ASN A O 1 -ATOM 1082 C CB . ASN A 1 171 ? -35.913 -11.774 -36.501 1.00 74.29 ? 149 ASN A CB 1 -ATOM 1083 C CG . ASN A 1 171 ? -34.628 -10.977 -36.562 1.00 72.44 ? 149 ASN A CG 1 -ATOM 1084 O OD1 . ASN A 1 171 ? -33.917 -10.854 -35.565 1.00 71.35 ? 149 ASN A OD1 1 -ATOM 1085 N ND2 . ASN A 1 171 ? -34.326 -10.420 -37.730 1.00 78.52 ? 149 ASN A ND2 1 -ATOM 1086 N N . ILE A 1 172 ? -34.383 -13.533 -33.845 1.00 64.29 ? 150 ILE A N 1 -ATOM 1087 C CA . ILE A 1 172 ? -34.048 -13.540 -32.428 1.00 58.43 ? 150 ILE A CA 1 -ATOM 1088 C C . ILE A 1 172 ? -33.851 -12.110 -31.885 1.00 66.41 ? 150 ILE A C 1 -ATOM 1089 O O . ILE A 1 172 ? -34.091 -11.840 -30.701 1.00 61.75 ? 150 ILE A O 1 -ATOM 1090 C CB . ILE A 1 172 ? -32.804 -14.425 -32.197 1.00 61.50 ? 150 ILE A CB 1 -ATOM 1091 C CG1 . ILE A 1 172 ? -33.215 -15.904 -32.276 1.00 60.06 ? 150 ILE A CG1 1 -ATOM 1092 C CG2 . ILE A 1 172 ? -32.154 -14.151 -30.865 1.00 62.65 ? 150 ILE A CG2 1 -ATOM 1093 C CD1 . ILE A 1 172 ? -32.113 -16.860 -31.980 1.00 56.82 ? 150 ILE A CD1 1 -ATOM 1094 N N . GLY A 1 173 ? -33.493 -11.184 -32.769 1.00 65.24 ? 151 GLY A N 1 -ATOM 1095 C CA . GLY A 1 173 ? -33.374 -9.785 -32.394 1.00 67.91 ? 151 GLY A CA 1 -ATOM 1096 C C . GLY A 1 173 ? -34.687 -9.116 -32.005 1.00 74.32 ? 151 GLY A C 1 -ATOM 1097 O O . GLY A 1 173 ? -34.722 -8.318 -31.062 1.00 73.44 ? 151 GLY A O 1 -ATOM 1098 N N . ARG A 1 174 ? -35.762 -9.413 -32.734 1.00 64.22 ? 152 ARG A N 1 -ATOM 1099 C CA . ARG A 1 174 ? -37.051 -8.764 -32.487 1.00 69.13 ? 152 ARG A CA 1 -ATOM 1100 C C . ARG A 1 174 ? -38.243 -9.730 -32.655 1.00 67.83 ? 152 ARG A C 1 -ATOM 1101 O O . ARG A 1 174 ? -38.986 -9.657 -33.635 1.00 63.09 ? 152 ARG A O 1 -ATOM 1102 C CB . ARG A 1 174 ? -37.187 -7.539 -33.397 1.00 65.50 ? 152 ARG A CB 1 -ATOM 1103 C CG . ARG A 1 174 ? -36.658 -7.751 -34.808 1.00 70.42 ? 152 ARG A CG 1 -ATOM 1104 C CD . ARG A 1 174 ? -37.262 -6.753 -35.784 1.00 73.75 ? 152 ARG A CD 1 -ATOM 1105 N NE . ARG A 1 174 ? -36.967 -7.110 -37.169 1.00 74.88 ? 152 ARG A NE 1 -ATOM 1106 C CZ . ARG A 1 174 ? -37.841 -7.731 -37.957 1.00 75.87 ? 152 ARG A CZ 1 -ATOM 1107 N NH1 . ARG A 1 174 ? -39.046 -8.030 -37.485 1.00 64.99 ? 152 ARG A NH1 1 -ATOM 1108 N NH2 . ARG A 1 174 ? -37.523 -8.041 -39.207 1.00 72.60 ? 152 ARG A NH2 1 -ATOM 1109 N N . LEU A 1 175 ? -38.427 -10.602 -31.661 1.00 75.71 ? 153 LEU A N 1 -ATOM 1110 C CA . LEU A 1 175 ? -39.444 -11.670 -31.656 1.00 60.18 ? 153 LEU A CA 1 -ATOM 1111 C C . LEU A 1 175 ? -40.883 -11.261 -31.347 1.00 63.85 ? 153 LEU A C 1 -ATOM 1112 O O . LEU A 1 175 ? -41.820 -12.046 -31.556 1.00 60.66 ? 153 LEU A O 1 -ATOM 1113 C CB . LEU A 1 175 ? -39.024 -12.733 -30.638 1.00 57.24 ? 153 LEU A CB 1 -ATOM 1114 C CG . LEU A 1 175 ? -37.753 -13.542 -30.924 1.00 68.01 ? 153 LEU A CG 1 -ATOM 1115 C CD1 . LEU A 1 175 ? -37.316 -14.338 -29.696 1.00 48.22 ? 153 LEU A CD1 1 -ATOM 1116 C CD2 . LEU A 1 175 ? -37.977 -14.472 -32.107 1.00 58.98 ? 153 LEU A CD2 1 -ATOM 1117 N N . ARG A 1 176 ? -41.047 -10.057 -30.818 1.00 58.12 ? 154 ARG A N 1 -ATOM 1118 C CA . ARG A 1 176 ? -42.348 -9.524 -30.440 1.00 55.31 ? 154 ARG A CA 1 -ATOM 1119 C C . ARG A 1 176 ? -43.155 -10.440 -29.507 1.00 66.23 ? 154 ARG A C 1 -ATOM 1120 O O . ARG A 1 176 ? -44.204 -10.951 -29.890 1.00 77.26 ? 154 ARG A O 1 -ATOM 1121 C CB . ARG A 1 176 ? -43.164 -9.210 -31.700 1.00 48.83 ? 154 ARG A CB 1 -ATOM 1122 N N . THR A 1 177 ? -42.664 -10.643 -28.284 1.00 61.66 ? 155 THR A N 1 -ATOM 1123 C CA . THR A 1 177 ? -43.396 -11.408 -27.272 1.00 51.55 ? 155 THR A CA 1 -ATOM 1124 C C . THR A 1 177 ? -43.602 -10.442 -26.107 1.00 54.01 ? 155 THR A C 1 -ATOM 1125 O O . THR A 1 177 ? -42.996 -9.377 -26.084 1.00 57.80 ? 155 THR A O 1 -ATOM 1126 C CB . THR A 1 177 ? -42.654 -12.677 -26.762 1.00 55.94 ? 155 THR A CB 1 -ATOM 1127 O OG1 . THR A 1 177 ? -41.536 -12.296 -25.964 1.00 47.75 ? 155 THR A OG1 1 -ATOM 1128 C CG2 . THR A 1 177 ? -42.213 -13.603 -27.902 1.00 43.09 ? 155 THR A CG2 1 -ATOM 1129 N N . ILE A 1 178 ? -44.429 -10.801 -25.128 1.00 50.84 ? 156 ILE A N 1 -ATOM 1130 C CA . ILE A 1 178 ? -44.693 -9.889 -24.019 1.00 49.19 ? 156 ILE A CA 1 -ATOM 1131 C C . ILE A 1 178 ? -43.486 -9.526 -23.144 1.00 51.07 ? 156 ILE A C 1 -ATOM 1132 O O . ILE A 1 178 ? -43.605 -8.628 -22.297 1.00 46.17 ? 156 ILE A O 1 -ATOM 1133 C CB . ILE A 1 178 ? -45.800 -10.444 -23.072 1.00 48.02 ? 156 ILE A CB 1 -ATOM 1134 C CG1 . ILE A 1 178 ? -45.269 -11.606 -22.227 1.00 52.23 ? 156 ILE A CG1 1 -ATOM 1135 C CG2 . ILE A 1 178 ? -47.037 -10.820 -23.860 1.00 48.34 ? 156 ILE A CG2 1 -ATOM 1136 C CD1 . ILE A 1 178 ? -46.296 -12.212 -21.275 1.00 46.41 ? 156 ILE A CD1 1 -ATOM 1137 N N . LEU A 1 179 ? -42.337 -10.184 -23.323 1.00 43.40 ? 157 LEU A N 1 -ATOM 1138 C CA . LEU A 1 179 ? -41.149 -9.770 -22.568 1.00 53.04 ? 157 LEU A CA 1 -ATOM 1139 C C . LEU A 1 179 ? -40.749 -8.373 -23.048 1.00 45.75 ? 157 LEU A C 1 -ATOM 1140 O O . LEU A 1 179 ? -40.053 -7.671 -22.347 1.00 51.68 ? 157 LEU A O 1 -ATOM 1141 C CB . LEU A 1 179 ? -39.963 -10.747 -22.719 1.00 45.79 ? 157 LEU A CB 1 -ATOM 1142 C CG . LEU A 1 179 ? -38.682 -10.430 -21.905 1.00 33.30 ? 157 LEU A CG 1 -ATOM 1143 C CD1 . LEU A 1 179 ? -38.906 -10.492 -20.402 1.00 38.85 ? 157 LEU A CD1 1 -ATOM 1144 C CD2 . LEU A 1 179 ? -37.455 -11.313 -22.276 1.00 40.44 ? 157 LEU A CD2 1 -ATOM 1145 N N . ASP A 1 180 ? -41.238 -7.978 -24.226 1.00 57.50 ? 158 ASP A N 1 -ATOM 1146 C CA . ASP A 1 180 ? -41.007 -6.641 -24.789 1.00 57.68 ? 158 ASP A CA 1 -ATOM 1147 C C . ASP A 1 180 ? -41.654 -5.557 -23.944 1.00 56.69 ? 158 ASP A C 1 -ATOM 1148 O O . ASP A 1 180 ? -41.375 -4.376 -24.128 1.00 66.09 ? 158 ASP A O 1 -ATOM 1149 C CB . ASP A 1 180 ? -41.537 -6.556 -26.227 1.00 48.91 ? 158 ASP A CB 1 -ATOM 1150 C CG . ASP A 1 180 ? -40.705 -7.378 -27.212 1.00 65.63 ? 158 ASP A CG 1 -ATOM 1151 O OD1 . ASP A 1 180 ? -39.856 -8.193 -26.771 1.00 77.66 ? 158 ASP A OD1 1 -ATOM 1152 O OD2 . ASP A 1 180 ? -40.899 -7.217 -28.436 1.00 72.31 ? 158 ASP A OD2 1 -ATOM 1153 N N . LEU A 1 181 ? -42.528 -5.966 -23.029 1.00 45.00 ? 159 LEU A N 1 -ATOM 1154 C CA . LEU A 1 181 ? -43.149 -5.057 -22.078 1.00 50.24 ? 159 LEU A CA 1 -ATOM 1155 C C . LEU A 1 181 ? -42.186 -4.511 -21.032 1.00 58.55 ? 159 LEU A C 1 -ATOM 1156 O O . LEU A 1 181 ? -42.500 -3.554 -20.328 1.00 54.76 ? 159 LEU A O 1 -ATOM 1157 C CB . LEU A 1 181 ? -44.301 -5.755 -21.371 1.00 46.93 ? 159 LEU A CB 1 -ATOM 1158 C CG . LEU A 1 181 ? -45.512 -4.919 -20.999 1.00 69.10 ? 159 LEU A CG 1 -ATOM 1159 C CD1 . LEU A 1 181 ? -46.204 -4.418 -22.258 1.00 66.27 ? 159 LEU A CD1 1 -ATOM 1160 C CD2 . LEU A 1 181 ? -46.450 -5.767 -20.156 1.00 68.44 ? 159 LEU A CD2 1 -ATOM 1161 N N . VAL A 1 182 ? -41.000 -5.096 -20.952 1.00 57.27 ? 160 VAL A N 1 -ATOM 1162 C CA . VAL A 1 182 ? -40.018 -4.696 -19.949 1.00 49.07 ? 160 VAL A CA 1 -ATOM 1163 C C . VAL A 1 182 ? -39.249 -3.434 -20.350 1.00 59.70 ? 160 VAL A C 1 -ATOM 1164 O O . VAL A 1 182 ? -38.989 -2.557 -19.521 1.00 59.02 ? 160 VAL A O 1 -ATOM 1165 C CB . VAL A 1 182 ? -38.999 -5.844 -19.711 1.00 54.70 ? 160 VAL A CB 1 -ATOM 1166 C CG1 . VAL A 1 182 ? -37.823 -5.394 -18.834 1.00 34.89 ? 160 VAL A CG1 1 -ATOM 1167 C CG2 . VAL A 1 182 ? -39.706 -7.092 -19.158 1.00 49.64 ? 160 VAL A CG2 1 -ATOM 1168 N N . GLU A 1 183 ? -38.955 -3.316 -21.640 1.00 59.49 ? 161 GLU A N 1 -ATOM 1169 C CA . GLU A 1 183 ? -38.220 -2.175 -22.163 1.00 64.26 ? 161 GLU A CA 1 -ATOM 1170 C C . GLU A 1 183 ? -39.206 -1.080 -22.570 1.00 70.17 ? 161 GLU A C 1 -ATOM 1171 O O . GLU A 1 183 ? -38.877 0.114 -22.524 1.00 72.46 ? 161 GLU A O 1 -ATOM 1172 C CB . GLU A 1 183 ? -37.339 -2.588 -23.348 1.00 56.83 ? 161 GLU A CB 1 -ATOM 1173 C CG . GLU A 1 183 ? -36.592 -1.416 -23.995 1.00 61.57 ? 161 GLU A CG 1 -ATOM 1174 C CD . GLU A 1 183 ? -36.134 -1.721 -25.407 1.00 68.47 ? 161 GLU A CD 1 -ATOM 1175 N N . LYS A 1 184 ? -40.425 -1.488 -22.924 1.00 63.55 ? 162 LYS A N 1 -ATOM 1176 C CA . LYS A 1 184 ? -41.448 -0.550 -23.375 1.00 66.68 ? 162 LYS A CA 1 -ATOM 1177 C C . LYS A 1 184 ? -41.934 0.293 -22.201 1.00 75.45 ? 162 LYS A C 1 -ATOM 1178 O O . LYS A 1 184 ? -42.181 1.490 -22.366 1.00 80.64 ? 162 LYS A O 1 -ATOM 1179 C CB . LYS A 1 184 ? -42.628 -1.280 -24.027 1.00 65.30 ? 162 LYS A CB 1 -ATOM 1180 N N . GLU A 1 185 ? -42.011 -0.296 -21.007 1.00 69.82 ? 163 GLU A N 1 -ATOM 1181 C CA . GLU A 1 185 ? -42.499 0.458 -19.853 1.00 67.38 ? 163 GLU A CA 1 -ATOM 1182 C C . GLU A 1 185 ? -41.432 0.904 -18.838 1.00 69.95 ? 163 GLU A C 1 -ATOM 1183 O O . GLU A 1 185 ? -41.771 1.475 -17.802 1.00 67.71 ? 163 GLU A O 1 -ATOM 1184 C CB . GLU A 1 185 ? -43.556 -0.368 -19.122 1.00 62.66 ? 163 GLU A CB 1 -ATOM 1185 C CG . GLU A 1 185 ? -44.497 -1.132 -20.054 1.00 73.25 ? 163 GLU A CG 1 -ATOM 1186 C CD . GLU A 1 185 ? -45.704 -0.317 -20.498 1.00 82.85 ? 163 GLU A CD 1 -ATOM 1187 O OE1 . GLU A 1 185 ? -46.480 0.113 -19.619 1.00 81.19 ? 163 GLU A OE1 1 -ATOM 1188 O OE2 . GLU A 1 185 ? -45.887 -0.125 -21.722 1.00 87.86 ? 163 GLU A OE2 1 -ATOM 1189 N N . SER A 1 186 ? -40.152 0.723 -19.145 1.00 58.38 ? 164 SER A N 1 -ATOM 1190 C CA . SER A 1 186 ? -39.124 1.161 -18.204 1.00 55.32 ? 164 SER A CA 1 -ATOM 1191 C C . SER A 1 186 ? -37.783 1.497 -18.866 1.00 61.83 ? 164 SER A C 1 -ATOM 1192 O O . SER A 1 186 ? -36.887 2.022 -18.206 1.00 57.18 ? 164 SER A O 1 -ATOM 1193 C CB . SER A 1 186 ? -38.894 0.097 -17.133 1.00 53.24 ? 164 SER A CB 1 -ATOM 1194 O OG . SER A 1 186 ? -37.836 -0.770 -17.526 1.00 57.67 ? 164 SER A OG 1 -ATOM 1195 N N . GLY A 1 187 ? -37.658 1.198 -20.158 1.00 55.52 ? 165 GLY A N 1 -ATOM 1196 C CA . GLY A 1 187 ? -36.435 1.444 -20.909 1.00 56.20 ? 165 GLY A CA 1 -ATOM 1197 C C . GLY A 1 187 ? -35.256 0.532 -20.564 1.00 63.87 ? 165 GLY A C 1 -ATOM 1198 O O . GLY A 1 187 ? -34.165 0.670 -21.129 1.00 55.33 ? 165 GLY A O 1 -ATOM 1199 N N . ILE A 1 188 ? -35.485 -0.468 -19.718 1.00 57.26 ? 166 ILE A N 1 -ATOM 1200 C CA . ILE A 1 188 ? -34.378 -1.279 -19.236 1.00 61.33 ? 166 ILE A CA 1 -ATOM 1201 C C . ILE A 1 188 ? -34.084 -2.385 -20.232 1.00 56.81 ? 166 ILE A C 1 -ATOM 1202 O O . ILE A 1 188 ? -34.948 -3.201 -20.549 1.00 64.90 ? 166 ILE A O 1 -ATOM 1203 C CB . ILE A 1 188 ? -34.666 -1.879 -17.857 1.00 59.90 ? 166 ILE A CB 1 -ATOM 1204 C CG1 . ILE A 1 188 ? -34.619 -0.791 -16.796 1.00 52.90 ? 166 ILE A CG1 1 -ATOM 1205 C CG2 . ILE A 1 188 ? -33.634 -2.938 -17.518 1.00 70.38 ? 166 ILE A CG2 1 -ATOM 1206 C CD1 . ILE A 1 188 ? -35.218 -1.203 -15.495 1.00 58.58 ? 166 ILE A CD1 1 -ATOM 1207 N N . THR A 1 189 ? -32.861 -2.383 -20.746 1.00 62.18 ? 167 THR A N 1 -ATOM 1208 C CA . THR A 1 189 ? -32.383 -3.464 -21.592 1.00 60.22 ? 167 THR A CA 1 -ATOM 1209 C C . THR A 1 189 ? -31.376 -4.298 -20.809 1.00 61.18 ? 167 THR A C 1 -ATOM 1210 O O . THR A 1 189 ? -30.346 -3.794 -20.359 1.00 62.64 ? 167 THR A O 1 -ATOM 1211 C CB . THR A 1 189 ? -31.767 -2.937 -22.923 1.00 53.81 ? 167 THR A CB 1 -ATOM 1212 O OG1 . THR A 1 189 ? -30.458 -2.408 -22.695 1.00 70.66 ? 167 THR A OG1 1 -ATOM 1213 C CG2 . THR A 1 189 ? -32.654 -1.850 -23.535 1.00 61.27 ? 167 THR A CG2 1 -ATOM 1214 N N . ILE A 1 190 ? -31.755 -5.547 -20.545 1.00 60.05 ? 168 ILE A N 1 -ATOM 1215 C CA . ILE A 1 190 ? -30.886 -6.528 -19.897 1.00 56.60 ? 168 ILE A CA 1 -ATOM 1216 C C . ILE A 1 190 ? -30.185 -7.405 -20.958 1.00 58.28 ? 168 ILE A C 1 -ATOM 1217 O O . ILE A 1 190 ? -30.837 -8.202 -21.646 1.00 55.64 ? 168 ILE A O 1 -ATOM 1218 C CB . ILE A 1 190 ? -31.676 -7.414 -18.927 1.00 52.08 ? 168 ILE A CB 1 -ATOM 1219 C CG1 . ILE A 1 190 ? -32.606 -6.573 -18.062 1.00 50.61 ? 168 ILE A CG1 1 -ATOM 1220 C CG2 . ILE A 1 190 ? -30.744 -8.230 -18.069 1.00 51.88 ? 168 ILE A CG2 1 -ATOM 1221 C CD1 . ILE A 1 190 ? -33.540 -7.419 -17.236 1.00 59.64 ? 168 ILE A CD1 1 -ATOM 1222 N N . GLU A 1 191 ? -28.872 -7.247 -21.093 1.00 49.51 ? 169 GLU A N 1 -ATOM 1223 C CA . GLU A 1 191 ? -28.073 -7.933 -22.116 1.00 58.86 ? 169 GLU A CA 1 -ATOM 1224 C C . GLU A 1 191 ? -28.192 -9.465 -22.085 1.00 58.65 ? 169 GLU A C 1 -ATOM 1225 O O . GLU A 1 191 ? -28.035 -10.090 -21.046 1.00 55.63 ? 169 GLU A O 1 -ATOM 1226 C CB . GLU A 1 191 ? -26.593 -7.551 -21.970 1.00 56.73 ? 169 GLU A CB 1 -ATOM 1227 N N . GLY A 1 192 ? -28.543 -10.058 -23.217 1.00 62.97 ? 170 GLY A N 1 -ATOM 1228 C CA . GLY A 1 192 ? -28.658 -11.499 -23.298 1.00 60.92 ? 170 GLY A CA 1 -ATOM 1229 C C . GLY A 1 192 ? -30.068 -11.964 -22.984 1.00 66.28 ? 170 GLY A C 1 -ATOM 1230 O O . GLY A 1 192 ? -30.446 -13.085 -23.303 1.00 54.93 ? 170 GLY A O 1 -ATOM 1231 N N . VAL A 1 193 ? -30.820 -11.126 -22.277 1.00 62.40 ? 171 VAL A N 1 -ATOM 1232 C CA . VAL A 1 193 ? -32.186 -11.456 -21.917 1.00 43.33 ? 171 VAL A CA 1 -ATOM 1233 C C . VAL A 1 193 ? -33.192 -10.855 -22.925 1.00 57.14 ? 171 VAL A C 1 -ATOM 1234 O O . VAL A 1 193 ? -33.867 -11.607 -23.629 1.00 55.87 ? 171 VAL A O 1 -ATOM 1235 C CB . VAL A 1 193 ? -32.489 -11.004 -20.471 1.00 57.23 ? 171 VAL A CB 1 -ATOM 1236 C CG1 . VAL A 1 193 ? -33.954 -11.247 -20.121 1.00 49.10 ? 171 VAL A CG1 1 -ATOM 1237 C CG2 . VAL A 1 193 ? -31.593 -11.777 -19.493 1.00 48.73 ? 171 VAL A CG2 1 -ATOM 1238 N N . ASN A 1 194 ? -33.315 -9.525 -23.008 1.00 45.98 ? 172 ASN A N 1 -ATOM 1239 C CA . ASN A 1 194 ? -34.184 -8.946 -24.044 1.00 53.48 ? 172 ASN A CA 1 -ATOM 1240 C C . ASN A 1 194 ? -33.352 -8.353 -25.178 1.00 53.22 ? 172 ASN A C 1 -ATOM 1241 O O . ASN A 1 194 ? -33.834 -7.526 -25.951 1.00 56.19 ? 172 ASN A O 1 -ATOM 1242 C CB . ASN A 1 194 ? -35.161 -7.882 -23.507 1.00 41.87 ? 172 ASN A CB 1 -ATOM 1243 C CG . ASN A 1 194 ? -34.484 -6.835 -22.646 1.00 51.91 ? 172 ASN A CG 1 -ATOM 1244 O OD1 . ASN A 1 194 ? -33.266 -6.703 -22.666 1.00 44.89 ? 172 ASN A OD1 1 -ATOM 1245 N ND2 . ASN A 1 194 ? -35.281 -6.050 -21.924 1.00 41.73 ? 172 ASN A ND2 1 -ATOM 1246 N N . THR A 1 195 ? -32.083 -8.738 -25.222 1.00 49.18 ? 173 THR A N 1 -ATOM 1247 C CA . THR A 1 195 ? -31.194 -8.445 -26.346 1.00 51.77 ? 173 THR A CA 1 -ATOM 1248 C C . THR A 1 195 ? -30.483 -9.760 -26.706 1.00 61.98 ? 173 THR A C 1 -ATOM 1249 O O . THR A 1 195 ? -30.313 -10.614 -25.828 1.00 53.49 ? 173 THR A O 1 -ATOM 1250 C CB . THR A 1 195 ? -30.153 -7.353 -26.006 1.00 57.88 ? 173 THR A CB 1 -ATOM 1251 O OG1 . THR A 1 195 ? -29.126 -7.910 -25.173 1.00 65.59 ? 173 THR A OG1 1 -ATOM 1252 C CG2 . THR A 1 195 ? -30.805 -6.143 -25.299 1.00 56.35 ? 173 THR A CG2 1 -ATOM 1253 N N . PRO A 1 196 ? -30.092 -9.943 -27.987 1.00 64.03 ? 174 PRO A N 1 -ATOM 1254 C CA . PRO A 1 196 ? -29.454 -11.198 -28.421 1.00 63.35 ? 174 PRO A CA 1 -ATOM 1255 C C . PRO A 1 196 ? -28.011 -11.345 -27.941 1.00 60.32 ? 174 PRO A C 1 -ATOM 1256 O O . PRO A 1 196 ? -27.343 -10.351 -27.682 1.00 60.68 ? 174 PRO A O 1 -ATOM 1257 C CB . PRO A 1 196 ? -29.495 -11.121 -29.961 1.00 55.06 ? 174 PRO A CB 1 -ATOM 1258 C CG . PRO A 1 196 ? -30.331 -9.898 -30.287 1.00 61.34 ? 174 PRO A CG 1 -ATOM 1259 C CD . PRO A 1 196 ? -30.196 -8.989 -29.104 1.00 56.24 ? 174 PRO A CD 1 -ATOM 1260 N N . TYR A 1 197 ? -27.570 -12.590 -27.794 1.00 58.95 ? 175 TYR A N 1 -ATOM 1261 C CA . TYR A 1 197 ? -26.178 -12.921 -27.518 1.00 50.36 ? 175 TYR A CA 1 -ATOM 1262 C C . TYR A 1 197 ? -25.647 -13.912 -28.525 1.00 61.38 ? 175 TYR A C 1 -ATOM 1263 O O . TYR A 1 197 ? -26.357 -14.806 -28.984 1.00 61.53 ? 175 TYR A O 1 -ATOM 1264 C CB . TYR A 1 197 ? -26.004 -13.521 -26.126 1.00 58.58 ? 175 TYR A CB 1 -ATOM 1265 C CG . TYR A 1 197 ? -25.588 -12.598 -25.012 1.00 55.00 ? 175 TYR A CG 1 -ATOM 1266 C CD1 . TYR A 1 197 ? -25.363 -11.251 -25.223 1.00 56.06 ? 175 TYR A CD1 1 -ATOM 1267 C CD2 . TYR A 1 197 ? -25.404 -13.098 -23.739 1.00 58.92 ? 175 TYR A CD2 1 -ATOM 1268 C CE1 . TYR A 1 197 ? -24.957 -10.427 -24.177 1.00 59.77 ? 175 TYR A CE1 1 -ATOM 1269 C CE2 . TYR A 1 197 ? -25.014 -12.295 -22.696 1.00 65.63 ? 175 TYR A CE2 1 -ATOM 1270 C CZ . TYR A 1 197 ? -24.789 -10.962 -22.914 1.00 67.10 ? 175 TYR A CZ 1 -ATOM 1271 O OH . TYR A 1 197 ? -24.403 -10.184 -21.844 1.00 71.62 ? 175 TYR A OH 1 -ATOM 1272 N N . LEU A 1 198 ? -24.372 -13.762 -28.841 1.00 62.69 ? 176 LEU A N 1 -ATOM 1273 C CA . LEU A 1 198 ? -23.692 -14.664 -29.746 1.00 58.69 ? 176 LEU A CA 1 -ATOM 1274 C C . LEU A 1 198 ? -22.710 -15.488 -28.937 1.00 58.64 ? 176 LEU A C 1 -ATOM 1275 O O . LEU A 1 198 ? -22.010 -14.938 -28.095 1.00 62.16 ? 176 LEU A O 1 -ATOM 1276 C CB . LEU A 1 198 ? -22.971 -13.880 -30.836 1.00 65.79 ? 176 LEU A CB 1 -ATOM 1277 C CG . LEU A 1 198 ? -23.843 -13.360 -31.970 1.00 58.13 ? 176 LEU A CG 1 -ATOM 1278 C CD1 . LEU A 1 198 ? -23.002 -12.530 -32.905 1.00 53.69 ? 176 LEU A CD1 1 -ATOM 1279 C CD2 . LEU A 1 198 ? -24.471 -14.543 -32.700 1.00 62.51 ? 176 LEU A CD2 1 -ATOM 1280 N N . TYR A 1 199 ? -22.635 -16.788 -29.215 1.00 62.42 ? 177 TYR A N 1 -ATOM 1281 C CA . TYR A 1 199 ? -21.789 -17.701 -28.439 1.00 54.44 ? 177 TYR A CA 1 -ATOM 1282 C C . TYR A 1 199 ? -20.829 -18.456 -29.345 1.00 59.66 ? 177 TYR A C 1 -ATOM 1283 O O . TYR A 1 199 ? -21.251 -19.346 -30.085 1.00 61.13 ? 177 TYR A O 1 -ATOM 1284 C CB . TYR A 1 199 ? -22.650 -18.719 -27.660 1.00 60.77 ? 177 TYR A CB 1 -ATOM 1285 C CG . TYR A 1 199 ? -23.449 -18.162 -26.492 1.00 63.38 ? 177 TYR A CG 1 -ATOM 1286 C CD1 . TYR A 1 199 ? -22.835 -17.877 -25.281 1.00 63.52 ? 177 TYR A CD1 1 -ATOM 1287 C CD2 . TYR A 1 199 ? -24.823 -17.927 -26.602 1.00 63.06 ? 177 TYR A CD2 1 -ATOM 1288 C CE1 . TYR A 1 199 ? -23.553 -17.378 -24.210 1.00 66.32 ? 177 TYR A CE1 1 -ATOM 1289 C CE2 . TYR A 1 199 ? -25.556 -17.419 -25.533 1.00 65.59 ? 177 TYR A CE2 1 -ATOM 1290 C CZ . TYR A 1 199 ? -24.909 -17.147 -24.335 1.00 72.95 ? 177 TYR A CZ 1 -ATOM 1291 O OH . TYR A 1 199 ? -25.596 -16.647 -23.246 1.00 65.82 ? 177 TYR A OH 1 -ATOM 1292 N N . PHE A 1 200 ? -19.545 -18.110 -29.300 1.00 60.40 ? 178 PHE A N 1 -ATOM 1293 C CA . PHE A 1 200 ? -18.549 -18.852 -30.067 1.00 62.10 ? 178 PHE A CA 1 -ATOM 1294 C C . PHE A 1 200 ? -17.890 -19.950 -29.236 1.00 55.11 ? 178 PHE A C 1 -ATOM 1295 O O . PHE A 1 200 ? -17.208 -19.681 -28.241 1.00 51.90 ? 178 PHE A O 1 -ATOM 1296 C CB . PHE A 1 200 ? -17.499 -17.896 -30.626 1.00 58.66 ? 178 PHE A CB 1 -ATOM 1297 C CG . PHE A 1 200 ? -18.049 -16.956 -31.640 1.00 61.89 ? 178 PHE A CG 1 -ATOM 1298 C CD1 . PHE A 1 200 ? -18.194 -17.360 -32.961 1.00 69.46 ? 178 PHE A CD1 1 -ATOM 1299 C CD2 . PHE A 1 200 ? -18.461 -15.686 -31.277 1.00 60.92 ? 178 PHE A CD2 1 -ATOM 1300 C CE1 . PHE A 1 200 ? -18.729 -16.501 -33.902 1.00 74.12 ? 178 PHE A CE1 1 -ATOM 1301 C CE2 . PHE A 1 200 ? -19.001 -14.824 -32.212 1.00 63.32 ? 178 PHE A CE2 1 -ATOM 1302 C CZ . PHE A 1 200 ? -19.134 -15.228 -33.522 1.00 67.21 ? 178 PHE A CZ 1 -ATOM 1303 N N . GLY A 1 201 ? -18.093 -21.194 -29.640 1.00 53.03 ? 179 GLY A N 1 -ATOM 1304 C CA . GLY A 1 201 ? -17.567 -22.300 -28.858 1.00 59.44 ? 179 GLY A CA 1 -ATOM 1305 C C . GLY A 1 201 ? -16.511 -23.115 -29.585 1.00 56.32 ? 179 GLY A C 1 -ATOM 1306 O O . GLY A 1 201 ? -16.383 -23.019 -30.799 1.00 60.23 ? 179 GLY A O 1 -ATOM 1307 N N . MET A 1 202 ? -15.747 -23.899 -28.827 1.00 59.44 ? 180 MET A N 1 -ATOM 1308 C CA . MET A 1 202 ? -14.825 -24.879 -29.379 1.00 38.28 ? 180 MET A CA 1 -ATOM 1309 C C . MET A 1 202 ? -15.043 -26.161 -28.611 1.00 48.57 ? 180 MET A C 1 -ATOM 1310 O O . MET A 1 202 ? -15.817 -26.179 -27.661 1.00 49.67 ? 180 MET A O 1 -ATOM 1311 C CB . MET A 1 202 ? -13.369 -24.404 -29.277 1.00 53.28 ? 180 MET A CB 1 -ATOM 1312 C CG . MET A 1 202 ? -12.815 -24.417 -27.863 1.00 62.97 ? 180 MET A CG 1 -ATOM 1313 S SD . MET A 1 202 ? -11.132 -23.799 -27.637 1.00 72.97 ? 180 MET A SD 1 -ATOM 1314 C CE . MET A 1 202 ? -11.258 -22.111 -28.257 1.00 56.29 ? 180 MET A CE 1 -ATOM 1315 N N . TRP A 1 203 ? -14.342 -27.220 -29.003 1.00 52.12 ? 181 TRP A N 1 -ATOM 1316 C CA . TRP A 1 203 ? -14.553 -28.547 -28.439 1.00 46.94 ? 181 TRP A CA 1 -ATOM 1317 C C . TRP A 1 203 ? -14.460 -28.501 -26.940 1.00 44.98 ? 181 TRP A C 1 -ATOM 1318 O O . TRP A 1 203 ? -13.575 -27.852 -26.393 1.00 51.61 ? 181 TRP A O 1 -ATOM 1319 C CB . TRP A 1 203 ? -13.533 -29.540 -28.987 1.00 48.09 ? 181 TRP A CB 1 -ATOM 1320 C CG . TRP A 1 203 ? -13.320 -30.720 -28.125 1.00 49.76 ? 181 TRP A CG 1 -ATOM 1321 C CD1 . TRP A 1 203 ? -12.175 -31.053 -27.473 1.00 51.42 ? 181 TRP A CD1 1 -ATOM 1322 C CD2 . TRP A 1 203 ? -14.276 -31.745 -27.807 1.00 46.82 ? 181 TRP A CD2 1 -ATOM 1323 N NE1 . TRP A 1 203 ? -12.348 -32.229 -26.781 1.00 54.06 ? 181 TRP A NE1 1 -ATOM 1324 C CE2 . TRP A 1 203 ? -13.634 -32.666 -26.961 1.00 51.47 ? 181 TRP A CE2 1 -ATOM 1325 C CE3 . TRP A 1 203 ? -15.612 -31.961 -28.144 1.00 57.12 ? 181 TRP A CE3 1 -ATOM 1326 C CZ2 . TRP A 1 203 ? -14.280 -33.795 -26.454 1.00 55.68 ? 181 TRP A CZ2 1 -ATOM 1327 C CZ3 . TRP A 1 203 ? -16.256 -33.087 -27.636 1.00 56.10 ? 181 TRP A CZ3 1 -ATOM 1328 C CH2 . TRP A 1 203 ? -15.586 -33.989 -26.804 1.00 55.60 ? 181 TRP A CH2 1 -ATOM 1329 N N . LYS A 1 204 ? -15.446 -29.112 -26.292 1.00 52.69 ? 182 LYS A N 1 -ATOM 1330 C CA . LYS A 1 204 ? -15.497 -29.248 -24.836 1.00 46.54 ? 182 LYS A CA 1 -ATOM 1331 C C . LYS A 1 204 ? -15.934 -27.991 -24.078 1.00 45.72 ? 182 LYS A C 1 -ATOM 1332 O O . LYS A 1 204 ? -16.048 -28.039 -22.861 1.00 51.99 ? 182 LYS A O 1 -ATOM 1333 C CB . LYS A 1 204 ? -14.149 -29.715 -24.285 1.00 45.00 ? 182 LYS A CB 1 -ATOM 1334 C CG . LYS A 1 204 ? -14.272 -30.955 -23.440 1.00 47.20 ? 182 LYS A CG 1 -ATOM 1335 C CD . LYS A 1 204 ? -12.937 -31.586 -23.193 1.00 54.03 ? 182 LYS A CD 1 -ATOM 1336 C CE . LYS A 1 204 ? -12.001 -30.561 -22.628 1.00 50.43 ? 182 LYS A CE 1 -ATOM 1337 N NZ . LYS A 1 204 ? -10.707 -31.190 -22.315 1.00 51.44 ? 182 LYS A NZ 1 -ATOM 1338 N N . THR A 1 205 ? -16.183 -26.868 -24.746 1.00 41.86 ? 183 THR A N 1 -ATOM 1339 C CA . THR A 1 205 ? -16.803 -25.779 -23.995 1.00 49.95 ? 183 THR A CA 1 -ATOM 1340 C C . THR A 1 205 ? -18.205 -26.224 -23.621 1.00 41.35 ? 183 THR A C 1 -ATOM 1341 O O . THR A 1 205 ? -18.882 -26.927 -24.384 1.00 42.03 ? 183 THR A O 1 -ATOM 1342 C CB . THR A 1 205 ? -16.875 -24.456 -24.769 1.00 40.57 ? 183 THR A CB 1 -ATOM 1343 O OG1 . THR A 1 205 ? -17.689 -24.631 -25.928 1.00 43.67 ? 183 THR A OG1 1 -ATOM 1344 C CG2 . THR A 1 205 ? -15.486 -24.004 -25.199 1.00 48.03 ? 183 THR A CG2 1 -ATOM 1345 N N . SER A 1 206 ? -18.630 -25.832 -22.428 1.00 50.02 ? 184 SER A N 1 -ATOM 1346 C CA . SER A 1 206 ? -19.932 -26.247 -21.923 1.00 54.75 ? 184 SER A CA 1 -ATOM 1347 C C . SER A 1 206 ? -20.701 -25.125 -21.227 1.00 49.57 ? 184 SER A C 1 -ATOM 1348 O O . SER A 1 206 ? -20.171 -24.032 -20.981 1.00 47.13 ? 184 SER A O 1 -ATOM 1349 C CB . SER A 1 206 ? -19.772 -27.450 -20.977 1.00 47.04 ? 184 SER A CB 1 -ATOM 1350 O OG . SER A 1 206 ? -18.662 -27.313 -20.101 1.00 50.83 ? 184 SER A OG 1 -ATOM 1351 N N . PHE A 1 207 ? -21.974 -25.403 -20.961 1.00 51.08 ? 185 PHE A N 1 -ATOM 1352 C CA . PHE A 1 207 ? -22.787 -24.558 -20.116 1.00 41.63 ? 185 PHE A CA 1 -ATOM 1353 C C . PHE A 1 207 ? -23.295 -25.440 -18.985 1.00 44.63 ? 185 PHE A C 1 -ATOM 1354 O O . PHE A 1 207 ? -23.784 -26.545 -19.216 1.00 42.55 ? 185 PHE A O 1 -ATOM 1355 C CB . PHE A 1 207 ? -23.937 -23.866 -20.898 1.00 45.62 ? 185 PHE A CB 1 -ATOM 1356 C CG . PHE A 1 207 ? -24.664 -24.755 -21.889 1.00 51.62 ? 185 PHE A CG 1 -ATOM 1357 C CD1 . PHE A 1 207 ? -24.070 -25.128 -23.093 1.00 50.04 ? 185 PHE A CD1 1 -ATOM 1358 C CD2 . PHE A 1 207 ? -25.962 -25.181 -21.633 1.00 46.22 ? 185 PHE A CD2 1 -ATOM 1359 C CE1 . PHE A 1 207 ? -24.744 -25.932 -23.998 1.00 52.61 ? 185 PHE A CE1 1 -ATOM 1360 C CE2 . PHE A 1 207 ? -26.638 -25.979 -22.526 1.00 41.74 ? 185 PHE A CE2 1 -ATOM 1361 C CZ . PHE A 1 207 ? -26.031 -26.360 -23.713 1.00 50.55 ? 185 PHE A CZ 1 -ATOM 1362 N N . ALA A 1 208 ? -23.192 -24.925 -17.759 1.00 41.67 ? 186 ALA A N 1 -ATOM 1363 C CA . ALA A 1 208 ? -23.547 -25.668 -16.573 1.00 37.06 ? 186 ALA A CA 1 -ATOM 1364 C C . ALA A 1 208 ? -25.059 -25.823 -16.453 1.00 44.05 ? 186 ALA A C 1 -ATOM 1365 O O . ALA A 1 208 ? -25.799 -25.283 -17.280 1.00 39.34 ? 186 ALA A O 1 -ATOM 1366 C CB . ALA A 1 208 ? -22.990 -24.990 -15.338 1.00 32.15 ? 186 ALA A CB 1 -ATOM 1367 N N . TRP A 1 209 ? -25.501 -26.592 -15.448 1.00 35.16 ? 187 TRP A N 1 -ATOM 1368 C CA . TRP A 1 209 ? -26.921 -26.778 -15.166 1.00 41.00 ? 187 TRP A CA 1 -ATOM 1369 C C . TRP A 1 209 ? -27.649 -25.490 -14.689 1.00 41.26 ? 187 TRP A C 1 -ATOM 1370 O O . TRP A 1 209 ? -27.356 -24.979 -13.626 1.00 29.28 ? 187 TRP A O 1 -ATOM 1371 C CB . TRP A 1 209 ? -27.079 -27.848 -14.098 1.00 33.35 ? 187 TRP A CB 1 -ATOM 1372 C CG . TRP A 1 209 ? -26.923 -29.228 -14.611 1.00 39.81 ? 187 TRP A CG 1 -ATOM 1373 C CD1 . TRP A 1 209 ? -25.838 -30.054 -14.463 1.00 44.78 ? 187 TRP A CD1 1 -ATOM 1374 C CD2 . TRP A 1 209 ? -27.893 -29.964 -15.350 1.00 38.27 ? 187 TRP A CD2 1 -ATOM 1375 N NE1 . TRP A 1 209 ? -26.081 -31.268 -15.080 1.00 43.51 ? 187 TRP A NE1 1 -ATOM 1376 C CE2 . TRP A 1 209 ? -27.337 -31.232 -15.631 1.00 48.47 ? 187 TRP A CE2 1 -ATOM 1377 C CE3 . TRP A 1 209 ? -29.184 -29.678 -15.805 1.00 42.27 ? 187 TRP A CE3 1 -ATOM 1378 C CZ2 . TRP A 1 209 ? -28.021 -32.197 -16.353 1.00 37.70 ? 187 TRP A CZ2 1 -ATOM 1379 C CZ3 . TRP A 1 209 ? -29.864 -30.651 -16.523 1.00 46.21 ? 187 TRP A CZ3 1 -ATOM 1380 C CH2 . TRP A 1 209 ? -29.276 -31.895 -16.787 1.00 35.88 ? 187 TRP A CH2 1 -ATOM 1381 N N . HIS A 1 210 ? -28.638 -25.019 -15.430 1.00 39.12 ? 188 HIS A N 1 -ATOM 1382 C CA . HIS A 1 210 ? -29.357 -23.815 -15.011 1.00 48.24 ? 188 HIS A CA 1 -ATOM 1383 C C . HIS A 1 210 ? -30.714 -23.766 -15.657 1.00 37.64 ? 188 HIS A C 1 -ATOM 1384 O O . HIS A 1 210 ? -30.888 -24.300 -16.737 1.00 38.69 ? 188 HIS A O 1 -ATOM 1385 C CB . HIS A 1 210 ? -28.590 -22.566 -15.426 1.00 37.78 ? 188 HIS A CB 1 -ATOM 1386 C CG . HIS A 1 210 ? -28.530 -22.404 -16.909 1.00 40.56 ? 188 HIS A CG 1 -ATOM 1387 N ND1 . HIS A 1 210 ? -27.673 -23.140 -17.702 1.00 34.27 ? 188 HIS A ND1 1 -ATOM 1388 C CD2 . HIS A 1 210 ? -29.281 -21.655 -17.754 1.00 43.04 ? 188 HIS A CD2 1 -ATOM 1389 C CE1 . HIS A 1 210 ? -27.882 -22.834 -18.974 1.00 40.08 ? 188 HIS A CE1 1 -ATOM 1390 N NE2 . HIS A 1 210 ? -28.852 -21.933 -19.032 1.00 46.95 ? 188 HIS A NE2 1 -ATOM 1391 N N . THR A 1 211 ? -31.649 -23.075 -15.019 1.00 45.22 ? 189 THR A N 1 -ATOM 1392 C CA . THR A 1 211 ? -32.818 -22.543 -15.713 1.00 43.53 ? 189 THR A CA 1 -ATOM 1393 C C . THR A 1 211 ? -32.512 -21.117 -16.145 1.00 48.13 ? 189 THR A C 1 -ATOM 1394 O O . THR A 1 211 ? -31.466 -20.563 -15.786 1.00 51.65 ? 189 THR A O 1 -ATOM 1395 C CB . THR A 1 211 ? -34.083 -22.540 -14.841 1.00 47.65 ? 189 THR A CB 1 -ATOM 1396 O OG1 . THR A 1 211 ? -33.882 -21.707 -13.687 1.00 46.75 ? 189 THR A OG1 1 -ATOM 1397 C CG2 . THR A 1 211 ? -34.422 -23.943 -14.392 1.00 38.41 ? 189 THR A CG2 1 -ATOM 1398 N N . GLU A 1 212 ? -33.386 -20.529 -16.951 1.00 46.76 ? 190 GLU A N 1 -ATOM 1399 C CA . GLU A 1 212 ? -33.106 -19.195 -17.447 1.00 44.04 ? 190 GLU A CA 1 -ATOM 1400 C C . GLU A 1 212 ? -33.375 -18.178 -16.364 1.00 41.88 ? 190 GLU A C 1 -ATOM 1401 O O . GLU A 1 212 ? -34.038 -18.472 -15.378 1.00 37.02 ? 190 GLU A O 1 -ATOM 1402 C CB . GLU A 1 212 ? -33.916 -18.909 -18.702 1.00 46.60 ? 190 GLU A CB 1 -ATOM 1403 C CG . GLU A 1 212 ? -33.590 -19.855 -19.843 1.00 50.90 ? 190 GLU A CG 1 -ATOM 1404 C CD . GLU A 1 212 ? -32.130 -19.777 -20.287 1.00 53.43 ? 190 GLU A CD 1 -ATOM 1405 O OE1 . GLU A 1 212 ? -31.611 -18.660 -20.475 1.00 50.54 ? 190 GLU A OE1 1 -ATOM 1406 O OE2 . GLU A 1 212 ? -31.500 -20.837 -20.464 1.00 50.56 ? 190 GLU A OE2 1 -ATOM 1407 N N . ASP A 1 213 ? -32.790 -16.992 -16.514 1.00 56.53 ? 191 ASP A N 1 -ATOM 1408 C CA . ASP A 1 213 ? -33.005 -15.902 -15.564 1.00 49.92 ? 191 ASP A CA 1 -ATOM 1409 C C . ASP A 1 213 ? -34.493 -15.586 -15.487 1.00 38.08 ? 191 ASP A C 1 -ATOM 1410 O O . ASP A 1 213 ? -35.164 -15.572 -16.499 1.00 42.76 ? 191 ASP A O 1 -ATOM 1411 C CB . ASP A 1 213 ? -32.179 -14.687 -15.980 1.00 50.23 ? 191 ASP A CB 1 -ATOM 1412 C CG . ASP A 1 213 ? -30.700 -14.817 -15.567 1.00 58.73 ? 191 ASP A CG 1 -ATOM 1413 O OD1 . ASP A 1 213 ? -30.413 -15.497 -14.548 1.00 66.00 ? 191 ASP A OD1 1 -ATOM 1414 O OD2 . ASP A 1 213 ? -29.821 -14.308 -16.300 1.00 64.70 ? 191 ASP A OD2 1 -ATOM 1415 N N . MET A 1 214 ? -34.998 -15.382 -14.277 1.00 35.81 ? 192 MET A N 1 -ATOM 1416 C CA . MET A 1 214 ? -36.418 -15.168 -14.026 1.00 52.52 ? 192 MET A CA 1 -ATOM 1417 C C . MET A 1 214 ? -37.253 -16.349 -14.509 1.00 49.05 ? 192 MET A C 1 -ATOM 1418 O O . MET A 1 214 ? -38.449 -16.201 -14.733 1.00 39.78 ? 192 MET A O 1 -ATOM 1419 C CB . MET A 1 214 ? -36.899 -13.881 -14.703 1.00 38.86 ? 192 MET A CB 1 -ATOM 1420 C CG . MET A 1 214 ? -37.714 -13.020 -13.789 1.00 65.66 ? 192 MET A CG 1 -ATOM 1421 S SD . MET A 1 214 ? -36.779 -12.360 -12.384 1.00 51.66 ? 192 MET A SD 1 -ATOM 1422 C CE . MET A 1 214 ? -38.226 -12.069 -11.354 1.00 50.06 ? 192 MET A CE 1 -ATOM 1423 N N . ASP A 1 215 ? -36.602 -17.504 -14.669 1.00 41.47 ? 193 ASP A N 1 -ATOM 1424 C CA . ASP A 1 215 ? -37.242 -18.747 -15.108 1.00 41.01 ? 193 ASP A CA 1 -ATOM 1425 C C . ASP A 1 215 ? -38.058 -18.538 -16.363 1.00 48.28 ? 193 ASP A C 1 -ATOM 1426 O O . ASP A 1 215 ? -39.217 -18.988 -16.446 1.00 42.94 ? 193 ASP A O 1 -ATOM 1427 C CB . ASP A 1 215 ? -38.102 -19.333 -13.986 1.00 36.75 ? 193 ASP A CB 1 -ATOM 1428 C CG . ASP A 1 215 ? -37.257 -19.953 -12.860 1.00 50.62 ? 193 ASP A CG 1 -ATOM 1429 O OD1 . ASP A 1 215 ? -36.020 -20.156 -13.046 1.00 48.15 ? 193 ASP A OD1 1 -ATOM 1430 O OD2 . ASP A 1 215 ? -37.828 -20.235 -11.783 1.00 54.81 ? 193 ASP A OD2 1 -ATOM 1431 N N . LEU A 1 216 ? -37.436 -17.822 -17.312 1.00 41.25 ? 194 LEU A N 1 -ATOM 1432 C CA . LEU A 1 216 ? -38.005 -17.457 -18.620 1.00 29.57 ? 194 LEU A CA 1 -ATOM 1433 C C . LEU A 1 216 ? -37.831 -18.560 -19.665 1.00 48.06 ? 194 LEU A C 1 -ATOM 1434 O O . LEU A 1 216 ? -37.185 -19.582 -19.405 1.00 49.36 ? 194 LEU A O 1 -ATOM 1435 C CB . LEU A 1 216 ? -37.336 -16.179 -19.147 1.00 32.23 ? 194 LEU A CB 1 -ATOM 1436 C CG . LEU A 1 216 ? -37.627 -14.812 -18.544 1.00 39.03 ? 194 LEU A CG 1 -ATOM 1437 C CD1 . LEU A 1 216 ? -36.456 -13.821 -18.791 1.00 45.03 ? 194 LEU A CD1 1 -ATOM 1438 C CD2 . LEU A 1 216 ? -38.918 -14.247 -19.098 1.00 29.25 ? 194 LEU A CD2 1 -ATOM 1439 N N . TYR A 1 217 ? -38.372 -18.341 -20.864 1.00 39.11 ? 195 TYR A N 1 -ATOM 1440 C CA . TYR A 1 217 ? -38.013 -19.178 -21.996 1.00 37.82 ? 195 TYR A CA 1 -ATOM 1441 C C . TYR A 1 217 ? -36.730 -18.689 -22.610 1.00 51.69 ? 195 TYR A C 1 -ATOM 1442 O O . TYR A 1 217 ? -36.407 -17.490 -22.508 1.00 47.43 ? 195 TYR A O 1 -ATOM 1443 C CB . TYR A 1 217 ? -39.063 -19.161 -23.097 1.00 44.84 ? 195 TYR A CB 1 -ATOM 1444 C CG . TYR A 1 217 ? -40.471 -19.585 -22.775 1.00 47.26 ? 195 TYR A CG 1 -ATOM 1445 C CD1 . TYR A 1 217 ? -41.277 -18.819 -21.931 1.00 43.31 ? 195 TYR A CD1 1 -ATOM 1446 C CD2 . TYR A 1 217 ? -41.029 -20.716 -23.385 1.00 43.75 ? 195 TYR A CD2 1 -ATOM 1447 C CE1 . TYR A 1 217 ? -42.600 -19.185 -21.676 1.00 45.37 ? 195 TYR A CE1 1 -ATOM 1448 C CE2 . TYR A 1 217 ? -42.345 -21.089 -23.134 1.00 43.19 ? 195 TYR A CE2 1 -ATOM 1449 C CZ . TYR A 1 217 ? -43.127 -20.324 -22.282 1.00 45.44 ? 195 TYR A CZ 1 -ATOM 1450 O OH . TYR A 1 217 ? -44.434 -20.697 -22.024 1.00 39.91 ? 195 TYR A OH 1 -ATOM 1451 N N . SER A 1 218 ? -36.038 -19.586 -23.314 1.00 45.18 ? 196 SER A N 1 -ATOM 1452 C CA . SER A 1 218 ? -34.919 -19.165 -24.141 1.00 40.27 ? 196 SER A CA 1 -ATOM 1453 C C . SER A 1 218 ? -35.083 -19.747 -25.531 1.00 43.86 ? 196 SER A C 1 -ATOM 1454 O O . SER A 1 218 ? -35.782 -20.743 -25.732 1.00 45.26 ? 196 SER A O 1 -ATOM 1455 C CB . SER A 1 218 ? -33.578 -19.580 -23.513 1.00 54.91 ? 196 SER A CB 1 -ATOM 1456 O OG . SER A 1 218 ? -33.280 -20.962 -23.711 1.00 55.41 ? 196 SER A OG 1 -ATOM 1457 N N . ILE A 1 219 ? -34.455 -19.094 -26.500 1.00 49.17 ? 197 ILE A N 1 -ATOM 1458 C CA . ILE A 1 219 ? -34.395 -19.600 -27.860 1.00 45.77 ? 197 ILE A CA 1 -ATOM 1459 C C . ILE A 1 219 ? -32.918 -19.582 -28.264 1.00 53.74 ? 197 ILE A C 1 -ATOM 1460 O O . ILE A 1 219 ? -32.175 -18.677 -27.874 1.00 56.82 ? 197 ILE A O 1 -ATOM 1461 C CB . ILE A 1 219 ? -35.252 -18.764 -28.825 1.00 52.38 ? 197 ILE A CB 1 -ATOM 1462 C CG1 . ILE A 1 219 ? -35.288 -19.414 -30.206 1.00 46.54 ? 197 ILE A CG1 1 -ATOM 1463 C CG2 . ILE A 1 219 ? -34.743 -17.321 -28.916 1.00 53.11 ? 197 ILE A CG2 1 -ATOM 1464 C CD1 . ILE A 1 219 ? -35.946 -18.556 -31.261 1.00 48.17 ? 197 ILE A CD1 1 -ATOM 1465 N N . ASN A 1 220 ? -32.483 -20.584 -29.022 1.00 54.80 ? 198 ASN A N 1 -ATOM 1466 C CA . ASN A 1 220 ? -31.059 -20.738 -29.351 1.00 55.24 ? 198 ASN A CA 1 -ATOM 1467 C C . ASN A 1 220 ? -30.936 -21.271 -30.779 1.00 50.36 ? 198 ASN A C 1 -ATOM 1468 O O . ASN A 1 220 ? -31.434 -22.362 -31.098 1.00 57.12 ? 198 ASN A O 1 -ATOM 1469 C CB . ASN A 1 220 ? -30.370 -21.674 -28.328 1.00 54.62 ? 198 ASN A CB 1 -ATOM 1470 C CG . ASN A 1 220 ? -28.842 -21.824 -28.555 1.00 59.01 ? 198 ASN A CG 1 -ATOM 1471 O OD1 . ASN A 1 220 ? -28.402 -22.312 -29.590 1.00 58.03 ? 198 ASN A OD1 1 -ATOM 1472 N ND2 . ASN A 1 220 ? -28.046 -21.450 -27.551 1.00 51.41 ? 198 ASN A ND2 1 -ATOM 1473 N N . TYR A 1 221 ? -30.305 -20.488 -31.646 1.00 43.91 ? 199 TYR A N 1 -ATOM 1474 C CA . TYR A 1 221 ? -30.131 -20.895 -33.033 1.00 55.36 ? 199 TYR A CA 1 -ATOM 1475 C C . TYR A 1 221 ? -28.665 -21.137 -33.340 1.00 56.57 ? 199 TYR A C 1 -ATOM 1476 O O . TYR A 1 221 ? -27.835 -20.276 -33.056 1.00 43.25 ? 199 TYR A O 1 -ATOM 1477 C CB . TYR A 1 221 ? -30.671 -19.822 -33.979 1.00 61.11 ? 199 TYR A CB 1 -ATOM 1478 C CG . TYR A 1 221 ? -30.582 -20.229 -35.430 1.00 60.36 ? 199 TYR A CG 1 -ATOM 1479 C CD1 . TYR A 1 221 ? -31.468 -21.158 -35.955 1.00 63.07 ? 199 TYR A CD1 1 -ATOM 1480 C CD2 . TYR A 1 221 ? -29.617 -19.709 -36.264 1.00 57.42 ? 199 TYR A CD2 1 -ATOM 1481 C CE1 . TYR A 1 221 ? -31.403 -21.543 -37.270 1.00 65.03 ? 199 TYR A CE1 1 -ATOM 1482 C CE2 . TYR A 1 221 ? -29.542 -20.089 -37.585 1.00 58.85 ? 199 TYR A CE2 1 -ATOM 1483 C CZ . TYR A 1 221 ? -30.440 -21.002 -38.080 1.00 60.37 ? 199 TYR A CZ 1 -ATOM 1484 O OH . TYR A 1 221 ? -30.378 -21.394 -39.394 1.00 81.27 ? 199 TYR A OH 1 -ATOM 1485 N N . LEU A 1 222 ? -28.348 -22.267 -33.974 1.00 56.03 ? 200 LEU A N 1 -ATOM 1486 C CA . LEU A 1 222 ? -26.937 -22.623 -34.230 1.00 52.82 ? 200 LEU A CA 1 -ATOM 1487 C C . LEU A 1 222 ? -26.581 -22.224 -35.654 1.00 58.49 ? 200 LEU A C 1 -ATOM 1488 O O . LEU A 1 222 ? -26.824 -22.981 -36.599 1.00 69.86 ? 200 LEU A O 1 -ATOM 1489 C CB . LEU A 1 222 ? -26.695 -24.130 -34.011 1.00 56.20 ? 200 LEU A CB 1 -ATOM 1490 C CG . LEU A 1 222 ? -25.286 -24.759 -34.032 1.00 48.25 ? 200 LEU A CG 1 -ATOM 1491 C CD1 . LEU A 1 222 ? -24.342 -24.156 -33.029 1.00 51.27 ? 200 LEU A CD1 1 -ATOM 1492 C CD2 . LEU A 1 222 ? -25.351 -26.260 -33.841 1.00 55.18 ? 200 LEU A CD2 1 -ATOM 1493 N N . HIS A 1 223 ? -26.005 -21.035 -35.809 1.00 57.22 ? 201 HIS A N 1 -ATOM 1494 C CA . HIS A 1 223 ? -25.751 -20.467 -37.131 1.00 50.30 ? 201 HIS A CA 1 -ATOM 1495 C C . HIS A 1 223 ? -24.937 -21.389 -38.033 1.00 64.17 ? 201 HIS A C 1 -ATOM 1496 O O . HIS A 1 223 ? -25.328 -21.643 -39.171 1.00 70.77 ? 201 HIS A O 1 -ATOM 1497 C CB . HIS A 1 223 ? -25.036 -19.126 -36.999 1.00 48.62 ? 201 HIS A CB 1 -ATOM 1498 C CG . HIS A 1 223 ? -25.953 -18.000 -36.642 1.00 64.11 ? 201 HIS A CG 1 -ATOM 1499 N ND1 . HIS A 1 223 ? -27.168 -17.810 -37.265 1.00 63.32 ? 201 HIS A ND1 1 -ATOM 1500 C CD2 . HIS A 1 223 ? -25.822 -16.991 -35.753 1.00 63.28 ? 201 HIS A CD2 1 -ATOM 1501 C CE1 . HIS A 1 223 ? -27.753 -16.737 -36.763 1.00 67.08 ? 201 HIS A CE1 1 -ATOM 1502 N NE2 . HIS A 1 223 ? -26.957 -16.220 -35.847 1.00 66.33 ? 201 HIS A NE2 1 -ATOM 1503 N N . PHE A 1 224 ? -23.833 -21.918 -37.515 1.00 60.55 ? 202 PHE A N 1 -ATOM 1504 C CA . PHE A 1 224 ? -22.974 -22.772 -38.313 1.00 59.87 ? 202 PHE A CA 1 -ATOM 1505 C C . PHE A 1 224 ? -22.052 -23.637 -37.462 1.00 67.50 ? 202 PHE A C 1 -ATOM 1506 O O . PHE A 1 224 ? -22.000 -23.483 -36.240 1.00 64.66 ? 202 PHE A O 1 -ATOM 1507 C CB . PHE A 1 224 ? -22.136 -21.919 -39.259 1.00 57.73 ? 202 PHE A CB 1 -ATOM 1508 C CG . PHE A 1 224 ? -21.244 -20.928 -38.568 1.00 57.18 ? 202 PHE A CG 1 -ATOM 1509 C CD1 . PHE A 1 224 ? -20.026 -21.320 -38.029 1.00 58.96 ? 202 PHE A CD1 1 -ATOM 1510 C CD2 . PHE A 1 224 ? -21.594 -19.589 -38.507 1.00 61.37 ? 202 PHE A CD2 1 -ATOM 1511 C CE1 . PHE A 1 224 ? -19.186 -20.404 -37.412 1.00 58.47 ? 202 PHE A CE1 1 -ATOM 1512 C CE2 . PHE A 1 224 ? -20.751 -18.659 -37.893 1.00 63.38 ? 202 PHE A CE2 1 -ATOM 1513 C CZ . PHE A 1 224 ? -19.547 -19.071 -37.346 1.00 63.88 ? 202 PHE A CZ 1 -ATOM 1514 N N . GLY A 1 225 ? -21.292 -24.514 -38.118 1.00 62.13 ? 203 GLY A N 1 -ATOM 1515 C CA . GLY A 1 225 ? -20.270 -25.268 -37.423 1.00 59.32 ? 203 GLY A CA 1 -ATOM 1516 C C . GLY A 1 225 ? -20.762 -26.546 -36.789 1.00 60.12 ? 203 GLY A C 1 -ATOM 1517 O O . GLY A 1 225 ? -21.820 -27.083 -37.156 1.00 60.36 ? 203 GLY A O 1 -ATOM 1518 N N . GLU A 1 226 ? -19.969 -27.046 -35.842 1.00 61.67 ? 204 GLU A N 1 -ATOM 1519 C CA . GLU A 1 226 ? -20.216 -28.352 -35.235 1.00 61.84 ? 204 GLU A CA 1 -ATOM 1520 C C . GLU A 1 226 ? -21.392 -28.379 -34.271 1.00 55.03 ? 204 GLU A C 1 -ATOM 1521 O O . GLU A 1 226 ? -21.851 -27.343 -33.797 1.00 63.27 ? 204 GLU A O 1 -ATOM 1522 C CB . GLU A 1 226 ? -18.946 -28.846 -34.538 1.00 58.43 ? 204 GLU A CB 1 -ATOM 1523 C CG . GLU A 1 226 ? -17.954 -29.527 -35.469 1.00 65.92 ? 204 GLU A CG 1 -ATOM 1524 C CD . GLU A 1 226 ? -18.425 -30.932 -35.899 1.00 81.15 ? 204 GLU A CD 1 -ATOM 1525 O OE1 . GLU A 1 226 ? -18.320 -31.882 -35.081 1.00 76.03 ? 204 GLU A OE1 1 -ATOM 1526 O OE2 . GLU A 1 226 ? -18.880 -31.094 -37.059 1.00 78.44 ? 204 GLU A OE2 1 -ATOM 1527 N N . PRO A 1 227 ? -21.897 -29.580 -33.981 1.00 56.34 ? 205 PRO A N 1 -ATOM 1528 C CA . PRO A 1 227 ? -23.103 -29.639 -33.156 1.00 51.79 ? 205 PRO A CA 1 -ATOM 1529 C C . PRO A 1 227 ? -22.903 -29.131 -31.736 1.00 57.53 ? 205 PRO A C 1 -ATOM 1530 O O . PRO A 1 227 ? -21.784 -28.894 -31.264 1.00 53.46 ? 205 PRO A O 1 -ATOM 1531 C CB . PRO A 1 227 ? -23.443 -31.130 -33.138 1.00 56.13 ? 205 PRO A CB 1 -ATOM 1532 C CG . PRO A 1 227 ? -22.770 -31.689 -34.352 1.00 46.24 ? 205 PRO A CG 1 -ATOM 1533 C CD . PRO A 1 227 ? -21.518 -30.903 -34.499 1.00 53.66 ? 205 PRO A CD 1 -ATOM 1534 N N . LYS A 1 228 ? -24.039 -28.960 -31.074 1.00 50.71 ? 206 LYS A N 1 -ATOM 1535 C CA . LYS A 1 228 ? -24.127 -28.565 -29.690 1.00 46.47 ? 206 LYS A CA 1 -ATOM 1536 C C . LYS A 1 228 ? -25.033 -29.633 -29.083 1.00 51.85 ? 206 LYS A C 1 -ATOM 1537 O O . LYS A 1 228 ? -26.107 -29.870 -29.611 1.00 51.65 ? 206 LYS A O 1 -ATOM 1538 C CB . LYS A 1 228 ? -24.714 -27.147 -29.572 1.00 49.57 ? 206 LYS A CB 1 -ATOM 1539 C CG . LYS A 1 228 ? -24.742 -26.566 -28.186 1.00 52.97 ? 206 LYS A CG 1 -ATOM 1540 C CD . LYS A 1 228 ? -25.586 -25.288 -28.136 1.00 63.47 ? 206 LYS A CD 1 -ATOM 1541 C CE . LYS A 1 228 ? -24.867 -24.079 -28.700 1.00 54.13 ? 206 LYS A CE 1 -ATOM 1542 N NZ . LYS A 1 228 ? -23.708 -23.705 -27.844 1.00 45.41 ? 206 LYS A NZ 1 -ATOM 1543 N N . SER A 1 229 ? -24.594 -30.328 -28.036 1.00 55.37 ? 207 SER A N 1 -ATOM 1544 C CA . SER A 1 229 ? -25.435 -31.354 -27.409 1.00 51.19 ? 207 SER A CA 1 -ATOM 1545 C C . SER A 1 229 ? -26.003 -30.804 -26.121 1.00 50.12 ? 207 SER A C 1 -ATOM 1546 O O . SER A 1 229 ? -25.326 -30.058 -25.423 1.00 47.85 ? 207 SER A O 1 -ATOM 1547 C CB . SER A 1 229 ? -24.664 -32.657 -27.115 1.00 51.65 ? 207 SER A CB 1 -ATOM 1548 O OG . SER A 1 229 ? -24.316 -33.349 -28.302 1.00 54.66 ? 207 SER A OG 1 -ATOM 1549 N N . TRP A 1 230 ? -27.233 -31.212 -25.812 1.00 49.65 ? 208 TRP A N 1 -ATOM 1550 C CA . TRP A 1 230 ? -28.013 -30.706 -24.698 1.00 46.73 ? 208 TRP A CA 1 -ATOM 1551 C C . TRP A 1 230 ? -28.484 -31.825 -23.799 1.00 46.47 ? 208 TRP A C 1 -ATOM 1552 O O . TRP A 1 230 ? -28.807 -32.892 -24.295 1.00 44.49 ? 208 TRP A O 1 -ATOM 1553 C CB . TRP A 1 230 ? -29.255 -29.956 -25.198 1.00 41.94 ? 208 TRP A CB 1 -ATOM 1554 C CG . TRP A 1 230 ? -29.011 -28.743 -25.964 1.00 44.31 ? 208 TRP A CG 1 -ATOM 1555 C CD1 . TRP A 1 230 ? -28.419 -28.654 -27.175 1.00 55.52 ? 208 TRP A CD1 1 -ATOM 1556 C CD2 . TRP A 1 230 ? -29.382 -27.410 -25.597 1.00 44.05 ? 208 TRP A CD2 1 -ATOM 1557 N NE1 . TRP A 1 230 ? -28.385 -27.345 -27.591 1.00 49.81 ? 208 TRP A NE1 1 -ATOM 1558 C CE2 . TRP A 1 230 ? -28.975 -26.564 -26.635 1.00 43.83 ? 208 TRP A CE2 1 -ATOM 1559 C CE3 . TRP A 1 230 ? -30.021 -26.855 -24.489 1.00 56.89 ? 208 TRP A CE3 1 -ATOM 1560 C CZ2 . TRP A 1 230 ? -29.173 -25.183 -26.598 1.00 58.23 ? 208 TRP A CZ2 1 -ATOM 1561 C CZ3 . TRP A 1 230 ? -30.230 -25.489 -24.458 1.00 58.66 ? 208 TRP A CZ3 1 -ATOM 1562 C CH2 . TRP A 1 230 ? -29.803 -24.666 -25.504 1.00 57.61 ? 208 TRP A CH2 1 -ATOM 1563 N N . TYR A 1 231 ? -28.525 -31.572 -22.487 1.00 46.95 ? 209 TYR A N 1 -ATOM 1564 C CA . TYR A 1 231 ? -29.273 -32.400 -21.536 1.00 39.10 ? 209 TYR A CA 1 -ATOM 1565 C C . TYR A 1 231 ? -30.355 -31.526 -20.915 1.00 52.52 ? 209 TYR A C 1 -ATOM 1566 O O . TYR A 1 231 ? -30.175 -30.290 -20.808 1.00 34.59 ? 209 TYR A O 1 -ATOM 1567 C CB . TYR A 1 231 ? -28.390 -32.965 -20.430 1.00 40.40 ? 209 TYR A CB 1 -ATOM 1568 C CG . TYR A 1 231 ? -27.172 -33.744 -20.909 1.00 46.97 ? 209 TYR A CG 1 -ATOM 1569 C CD1 . TYR A 1 231 ? -27.234 -35.125 -21.130 1.00 49.50 ? 209 TYR A CD1 1 -ATOM 1570 C CD2 . TYR A 1 231 ? -25.959 -33.100 -21.119 1.00 45.33 ? 209 TYR A CD2 1 -ATOM 1571 C CE1 . TYR A 1 231 ? -26.107 -35.838 -21.552 1.00 49.10 ? 209 TYR A CE1 1 -ATOM 1572 C CE2 . TYR A 1 231 ? -24.839 -33.796 -21.555 1.00 51.18 ? 209 TYR A CE2 1 -ATOM 1573 C CZ . TYR A 1 231 ? -24.916 -35.159 -21.760 1.00 49.72 ? 209 TYR A CZ 1 -ATOM 1574 O OH . TYR A 1 231 ? -23.798 -35.823 -22.183 1.00 56.00 ? 209 TYR A OH 1 -ATOM 1575 N N . SER A 1 232 ? -31.442 -32.166 -20.471 1.00 37.90 ? 210 SER A N 1 -ATOM 1576 C CA A SER A 1 232 ? -32.618 -31.456 -19.982 0.30 44.31 ? 210 SER A CA 1 -ATOM 1577 C CA B SER A 1 232 ? -32.605 -31.442 -19.967 0.70 44.34 ? 210 SER A CA 1 -ATOM 1578 C C . SER A 1 232 ? -33.354 -32.237 -18.898 1.00 53.89 ? 210 SER A C 1 -ATOM 1579 O O . SER A 1 232 ? -33.461 -33.456 -18.974 1.00 51.00 ? 210 SER A O 1 -ATOM 1580 C CB A SER A 1 232 ? -33.570 -31.185 -21.140 0.30 46.44 ? 210 SER A CB 1 -ATOM 1581 C CB B SER A 1 232 ? -33.534 -31.093 -21.137 0.70 46.43 ? 210 SER A CB 1 -ATOM 1582 O OG A SER A 1 232 ? -34.058 -32.415 -21.654 0.30 50.81 ? 210 SER A OG 1 -ATOM 1583 O OG B SER A 1 232 ? -34.808 -30.627 -20.720 0.70 51.13 ? 210 SER A OG 1 -ATOM 1584 N N . VAL A 1 233 ? -33.849 -31.536 -17.883 1.00 41.76 ? 211 VAL A N 1 -ATOM 1585 C CA . VAL A 1 233 ? -34.724 -32.139 -16.885 1.00 40.23 ? 211 VAL A CA 1 -ATOM 1586 C C . VAL A 1 233 ? -36.119 -31.503 -16.976 1.00 52.12 ? 211 VAL A C 1 -ATOM 1587 O O . VAL A 1 233 ? -36.244 -30.261 -16.981 1.00 47.98 ? 211 VAL A O 1 -ATOM 1588 C CB . VAL A 1 233 ? -34.168 -31.992 -15.456 1.00 49.17 ? 211 VAL A CB 1 -ATOM 1589 C CG1 . VAL A 1 233 ? -35.162 -32.513 -14.427 1.00 48.82 ? 211 VAL A CG1 1 -ATOM 1590 C CG2 . VAL A 1 233 ? -32.865 -32.751 -15.312 1.00 41.89 ? 211 VAL A CG2 1 -ATOM 1591 N N . PRO A 1 234 ? -37.173 -32.340 -17.091 1.00 54.48 ? 212 PRO A N 1 -ATOM 1592 C CA . PRO A 1 234 ? -38.539 -31.803 -17.200 1.00 51.18 ? 212 PRO A CA 1 -ATOM 1593 C C . PRO A 1 234 ? -38.864 -30.865 -16.043 1.00 41.56 ? 212 PRO A C 1 -ATOM 1594 O O . PRO A 1 234 ? -38.490 -31.150 -14.898 1.00 47.35 ? 212 PRO A O 1 -ATOM 1595 C CB . PRO A 1 234 ? -39.425 -33.058 -17.155 1.00 53.08 ? 212 PRO A CB 1 -ATOM 1596 C CG . PRO A 1 234 ? -38.511 -34.162 -17.658 1.00 53.92 ? 212 PRO A CG 1 -ATOM 1597 C CD . PRO A 1 234 ? -37.145 -33.812 -17.143 1.00 48.60 ? 212 PRO A CD 1 -ATOM 1598 N N . PRO A 1 235 ? -39.543 -29.751 -16.334 1.00 40.43 ? 213 PRO A N 1 -ATOM 1599 C CA . PRO A 1 235 ? -39.931 -28.797 -15.285 1.00 34.94 ? 213 PRO A CA 1 -ATOM 1600 C C . PRO A 1 235 ? -40.600 -29.485 -14.097 1.00 44.82 ? 213 PRO A C 1 -ATOM 1601 O O . PRO A 1 235 ? -40.391 -29.086 -12.960 1.00 50.40 ? 213 PRO A O 1 -ATOM 1602 C CB . PRO A 1 235 ? -40.907 -27.868 -16.007 1.00 39.06 ? 213 PRO A CB 1 -ATOM 1603 C CG . PRO A 1 235 ? -40.412 -27.838 -17.401 1.00 42.87 ? 213 PRO A CG 1 -ATOM 1604 C CD . PRO A 1 235 ? -39.852 -29.246 -17.682 1.00 40.80 ? 213 PRO A CD 1 -ATOM 1605 N N . GLU A 1 236 ? -41.378 -30.536 -14.332 1.00 50.48 ? 214 GLU A N 1 -ATOM 1606 C CA . GLU A 1 236 ? -42.089 -31.134 -13.215 1.00 46.06 ? 214 GLU A CA 1 -ATOM 1607 C C . GLU A 1 236 ? -41.152 -31.901 -12.263 1.00 51.41 ? 214 GLU A C 1 -ATOM 1608 O O . GLU A 1 236 ? -41.552 -32.243 -11.142 1.00 53.01 ? 214 GLU A O 1 -ATOM 1609 C CB . GLU A 1 236 ? -43.208 -32.033 -13.738 1.00 54.17 ? 214 GLU A CB 1 -ATOM 1610 C CG . GLU A 1 236 ? -42.759 -33.162 -14.657 1.00 67.84 ? 214 GLU A CG 1 -ATOM 1611 C CD . GLU A 1 236 ? -43.795 -33.480 -15.747 1.00 76.75 ? 214 GLU A CD 1 -ATOM 1612 O OE1 . GLU A 1 236 ? -44.196 -32.541 -16.477 1.00 69.94 ? 214 GLU A OE1 1 -ATOM 1613 O OE2 . GLU A 1 236 ? -44.210 -34.661 -15.867 1.00 76.20 ? 214 GLU A OE2 1 -ATOM 1614 N N . HIS A 1 237 ? -39.891 -32.106 -12.657 1.00 45.47 ? 215 HIS A N 1 -ATOM 1615 C CA . HIS A 1 237 ? -38.925 -32.716 -11.738 1.00 44.69 ? 215 HIS A CA 1 -ATOM 1616 C C . HIS A 1 237 ? -37.739 -31.822 -11.364 1.00 54.33 ? 215 HIS A C 1 -ATOM 1617 O O . HIS A 1 237 ? -36.809 -32.265 -10.680 1.00 46.06 ? 215 HIS A O 1 -ATOM 1618 C CB . HIS A 1 237 ? -38.362 -34.005 -12.338 1.00 46.45 ? 215 HIS A CB 1 -ATOM 1619 C CG . HIS A 1 237 ? -39.383 -35.070 -12.553 1.00 50.18 ? 215 HIS A CG 1 -ATOM 1620 N ND1 . HIS A 1 237 ? -39.858 -35.867 -11.533 1.00 61.34 ? 215 HIS A ND1 1 -ATOM 1621 C CD2 . HIS A 1 237 ? -39.993 -35.499 -13.683 1.00 54.77 ? 215 HIS A CD2 1 -ATOM 1622 C CE1 . HIS A 1 237 ? -40.734 -36.725 -12.024 1.00 51.29 ? 215 HIS A CE1 1 -ATOM 1623 N NE2 . HIS A 1 237 ? -40.831 -36.524 -13.326 1.00 48.17 ? 215 HIS A NE2 1 -ATOM 1624 N N . GLY A 1 238 ? -37.780 -30.560 -11.768 1.00 46.56 ? 216 GLY A N 1 -ATOM 1625 C CA . GLY A 1 238 ? -36.692 -29.655 -11.461 1.00 40.02 ? 216 GLY A CA 1 -ATOM 1626 C C . GLY A 1 238 ? -36.364 -29.602 -9.987 1.00 45.32 ? 216 GLY A C 1 -ATOM 1627 O O . GLY A 1 238 ? -35.192 -29.531 -9.620 1.00 40.81 ? 216 GLY A O 1 -ATOM 1628 N N . LYS A 1 239 ? -37.386 -29.643 -9.130 1.00 47.99 ? 217 LYS A N 1 -ATOM 1629 C CA . LYS A 1 239 ? -37.145 -29.615 -7.681 1.00 39.76 ? 217 LYS A CA 1 -ATOM 1630 C C . LYS A 1 239 ? -36.329 -30.796 -7.192 1.00 43.65 ? 217 LYS A C 1 -ATOM 1631 O O . LYS A 1 239 ? -35.607 -30.666 -6.210 1.00 49.61 ? 217 LYS A O 1 -ATOM 1632 C CB . LYS A 1 239 ? -38.445 -29.557 -6.896 1.00 35.85 ? 217 LYS A CB 1 -ATOM 1633 C CG . LYS A 1 239 ? -39.027 -28.134 -6.747 1.00 60.92 ? 217 LYS A CG 1 -ATOM 1634 C CD . LYS A 1 239 ? -38.241 -27.263 -5.754 1.00 58.96 ? 217 LYS A CD 1 -ATOM 1635 C CE . LYS A 1 239 ? -38.801 -25.838 -5.737 1.00 68.15 ? 217 LYS A CE 1 -ATOM 1636 N NZ . LYS A 1 239 ? -37.989 -24.893 -4.902 1.00 77.06 ? 217 LYS A NZ 1 -ATOM 1637 N N . ARG A 1 240 ? -36.451 -31.951 -7.847 1.00 42.61 ? 218 ARG A N 1 -ATOM 1638 C CA . ARG A 1 240 ? -35.672 -33.104 -7.418 1.00 49.79 ? 218 ARG A CA 1 -ATOM 1639 C C . ARG A 1 240 ? -34.196 -32.876 -7.687 1.00 39.10 ? 218 ARG A C 1 -ATOM 1640 O O . ARG A 1 240 ? -33.378 -33.248 -6.874 1.00 42.65 ? 218 ARG A O 1 -ATOM 1641 C CB . ARG A 1 240 ? -36.144 -34.386 -8.109 1.00 49.11 ? 218 ARG A CB 1 -ATOM 1642 C CG . ARG A 1 240 ? -37.554 -34.819 -7.723 1.00 50.56 ? 218 ARG A CG 1 -ATOM 1643 C CD . ARG A 1 240 ? -37.869 -36.064 -8.501 1.00 69.47 ? 218 ARG A CD 1 -ATOM 1644 N NE . ARG A 1 240 ? -36.959 -37.111 -8.061 1.00 64.04 ? 218 ARG A NE 1 -ATOM 1645 C CZ . ARG A 1 240 ? -37.027 -38.372 -8.438 1.00 70.51 ? 218 ARG A CZ 1 -ATOM 1646 N NH1 . ARG A 1 240 ? -37.971 -38.760 -9.290 1.00 86.33 ? 218 ARG A NH1 1 -ATOM 1647 N NH2 . ARG A 1 240 ? -36.131 -39.234 -7.975 1.00 70.10 ? 218 ARG A NH2 1 -ATOM 1648 N N . LEU A 1 241 ? -33.879 -32.268 -8.837 1.00 44.96 ? 219 LEU A N 1 -ATOM 1649 C CA . LEU A 1 241 ? -32.506 -31.917 -9.211 1.00 39.65 ? 219 LEU A CA 1 -ATOM 1650 C C . LEU A 1 241 ? -31.903 -30.934 -8.209 1.00 47.91 ? 219 LEU A C 1 -ATOM 1651 O O . LEU A 1 241 ? -30.708 -31.010 -7.914 1.00 48.85 ? 219 LEU A O 1 -ATOM 1652 C CB . LEU A 1 241 ? -32.448 -31.356 -10.649 1.00 36.28 ? 219 LEU A CB 1 -ATOM 1653 C CG . LEU A 1 241 ? -31.049 -30.980 -11.253 1.00 56.44 ? 219 LEU A CG 1 -ATOM 1654 C CD1 . LEU A 1 241 ? -30.165 -32.145 -11.726 1.00 37.88 ? 219 LEU A CD1 1 -ATOM 1655 C CD2 . LEU A 1 241 ? -31.166 -30.016 -12.420 1.00 44.69 ? 219 LEU A CD2 1 -ATOM 1656 N N . GLU A 1 242 ? -32.724 -30.022 -7.681 1.00 47.73 ? 220 GLU A N 1 -ATOM 1657 C CA . GLU A 1 242 ? -32.244 -29.023 -6.722 1.00 51.51 ? 220 GLU A CA 1 -ATOM 1658 C C . GLU A 1 242 ? -31.939 -29.649 -5.375 1.00 46.97 ? 220 GLU A C 1 -ATOM 1659 O O . GLU A 1 242 ? -30.977 -29.279 -4.710 1.00 46.80 ? 220 GLU A O 1 -ATOM 1660 C CB . GLU A 1 242 ? -33.266 -27.886 -6.517 1.00 45.72 ? 220 GLU A CB 1 -ATOM 1661 C CG . GLU A 1 242 ? -33.368 -26.904 -7.674 1.00 42.52 ? 220 GLU A CG 1 -ATOM 1662 C CD . GLU A 1 242 ? -34.415 -25.796 -7.432 1.00 43.70 ? 220 GLU A CD 1 -ATOM 1663 O OE1 . GLU A 1 242 ? -34.864 -25.617 -6.281 1.00 56.23 ? 220 GLU A OE1 1 -ATOM 1664 O OE2 . GLU A 1 242 ? -34.783 -25.112 -8.410 1.00 43.19 ? 220 GLU A OE2 1 -ATOM 1665 N N A ARG A 1 243 ? -32.789 -30.570 -4.945 0.49 42.56 ? 221 ARG A N 1 -ATOM 1666 N N B ARG A 1 243 ? -32.782 -30.586 -4.962 0.51 42.55 ? 221 ARG A N 1 -ATOM 1667 C CA A ARG A 1 243 ? -32.564 -31.261 -3.679 0.49 47.02 ? 221 ARG A CA 1 -ATOM 1668 C CA B ARG A 1 243 ? -32.564 -31.287 -3.702 0.51 46.95 ? 221 ARG A CA 1 -ATOM 1669 C C A ARG A 1 243 ? -31.282 -32.105 -3.749 0.49 48.23 ? 221 ARG A C 1 -ATOM 1670 C C B ARG A 1 243 ? -31.244 -32.046 -3.774 0.51 48.24 ? 221 ARG A C 1 -ATOM 1671 O O A ARG A 1 243 ? -30.557 -32.240 -2.759 0.49 48.08 ? 221 ARG A O 1 -ATOM 1672 O O B ARG A 1 243 ? -30.456 -32.058 -2.824 0.51 48.25 ? 221 ARG A O 1 -ATOM 1673 C CB A ARG A 1 243 ? -33.798 -32.089 -3.302 0.49 45.36 ? 221 ARG A CB 1 -ATOM 1674 C CB B ARG A 1 243 ? -33.725 -32.240 -3.409 0.51 45.33 ? 221 ARG A CB 1 -ATOM 1675 C CG A ARG A 1 243 ? -35.055 -31.204 -3.227 0.49 46.79 ? 221 ARG A CG 1 -ATOM 1676 C CG B ARG A 1 243 ? -33.665 -32.924 -2.060 0.51 44.04 ? 221 ARG A CG 1 -ATOM 1677 C CD A ARG A 1 243 ? -36.168 -31.794 -2.373 0.49 50.49 ? 221 ARG A CD 1 -ATOM 1678 C CD B ARG A 1 243 ? -35.077 -33.139 -1.511 0.51 52.31 ? 221 ARG A CD 1 -ATOM 1679 N NE A ARG A 1 243 ? -37.442 -31.894 -3.086 0.49 42.40 ? 221 ARG A NE 1 -ATOM 1680 N NE B ARG A 1 243 ? -35.536 -31.992 -0.724 0.51 47.86 ? 221 ARG A NE 1 -ATOM 1681 C CZ A ARG A 1 243 ? -37.859 -33.007 -3.671 0.49 50.48 ? 221 ARG A CZ 1 -ATOM 1682 C CZ B ARG A 1 243 ? -35.756 -32.039 0.584 0.51 45.96 ? 221 ARG A CZ 1 -ATOM 1683 N NH1 A ARG A 1 243 ? -37.093 -34.088 -3.617 0.49 47.40 ? 221 ARG A NH1 1 -ATOM 1684 N NH1 B ARG A 1 243 ? -35.571 -33.179 1.235 0.51 49.78 ? 221 ARG A NH1 1 -ATOM 1685 N NH2 A ARG A 1 243 ? -39.034 -33.045 -4.293 0.49 53.81 ? 221 ARG A NH2 1 -ATOM 1686 N NH2 B ARG A 1 243 ? -36.159 -30.958 1.239 0.51 51.99 ? 221 ARG A NH2 1 -ATOM 1687 N N . LEU A 1 244 ? -31.002 -32.651 -4.929 1.00 39.60 ? 222 LEU A N 1 -ATOM 1688 C CA . LEU A 1 244 ? -29.790 -33.417 -5.158 1.00 48.12 ? 222 LEU A CA 1 -ATOM 1689 C C . LEU A 1 244 ? -28.572 -32.486 -5.160 1.00 49.47 ? 222 LEU A C 1 -ATOM 1690 O O . LEU A 1 244 ? -27.543 -32.751 -4.534 1.00 39.56 ? 222 LEU A O 1 -ATOM 1691 C CB . LEU A 1 244 ? -29.906 -34.162 -6.487 1.00 43.49 ? 222 LEU A CB 1 -ATOM 1692 C CG . LEU A 1 244 ? -28.776 -35.128 -6.839 1.00 56.08 ? 222 LEU A CG 1 -ATOM 1693 C CD1 . LEU A 1 244 ? -28.760 -36.264 -5.847 1.00 52.39 ? 222 LEU A CD1 1 -ATOM 1694 C CD2 . LEU A 1 244 ? -28.931 -35.640 -8.273 1.00 46.69 ? 222 LEU A CD2 1 -ATOM 1695 N N . ALA A 1 245 ? -28.710 -31.366 -5.856 1.00 50.03 ? 223 ALA A N 1 -ATOM 1696 C CA . ALA A 1 245 ? -27.629 -30.406 -5.934 1.00 44.68 ? 223 ALA A CA 1 -ATOM 1697 C C . ALA A 1 245 ? -27.267 -29.841 -4.551 1.00 45.37 ? 223 ALA A C 1 -ATOM 1698 O O . ALA A 1 245 ? -26.087 -29.644 -4.262 1.00 51.27 ? 223 ALA A O 1 -ATOM 1699 C CB . ALA A 1 245 ? -28.001 -29.294 -6.897 1.00 48.41 ? 223 ALA A CB 1 -ATOM 1700 N N . LYS A 1 246 ? -28.257 -29.614 -3.680 1.00 52.15 ? 224 LYS A N 1 -ATOM 1701 C CA . LYS A 1 246 ? -27.960 -29.076 -2.341 1.00 53.48 ? 224 LYS A CA 1 -ATOM 1702 C C . LYS A 1 246 ? -27.338 -30.095 -1.390 1.00 56.22 ? 224 LYS A C 1 -ATOM 1703 O O . LYS A 1 246 ? -26.708 -29.726 -0.391 1.00 54.60 ? 224 LYS A O 1 -ATOM 1704 C CB . LYS A 1 246 ? -29.207 -28.484 -1.678 1.00 41.15 ? 224 LYS A CB 1 -ATOM 1705 C CG . LYS A 1 246 ? -29.808 -27.283 -2.406 1.00 61.30 ? 224 LYS A CG 1 -ATOM 1706 C CD . LYS A 1 246 ? -31.063 -26.721 -1.709 1.00 56.77 ? 224 LYS A CD 1 -ATOM 1707 C CE . LYS A 1 246 ? -32.376 -27.230 -2.312 1.00 65.66 ? 224 LYS A CE 1 -ATOM 1708 N NZ . LYS A 1 246 ? -33.400 -26.129 -2.514 1.00 77.78 ? 224 LYS A NZ 1 -ATOM 1709 N N . GLY A 1 247 ? -27.495 -31.373 -1.706 1.00 53.30 ? 225 GLY A N 1 -ATOM 1710 C CA . GLY A 1 247 ? -26.835 -32.418 -0.953 1.00 36.26 ? 225 GLY A CA 1 -ATOM 1711 C C . GLY A 1 247 ? -25.387 -32.552 -1.386 1.00 49.00 ? 225 GLY A C 1 -ATOM 1712 O O . GLY A 1 247 ? -24.503 -32.822 -0.583 1.00 50.57 ? 225 GLY A O 1 -ATOM 1713 N N . PHE A 1 248 ? -25.128 -32.370 -2.670 1.00 48.40 ? 226 PHE A N 1 -ATOM 1714 C CA . PHE A 1 248 ? -23.766 -32.514 -3.155 1.00 52.70 ? 226 PHE A CA 1 -ATOM 1715 C C . PHE A 1 248 ? -22.907 -31.293 -2.868 1.00 51.84 ? 226 PHE A C 1 -ATOM 1716 O O . PHE A 1 248 ? -21.714 -31.427 -2.659 1.00 53.15 ? 226 PHE A O 1 -ATOM 1717 C CB . PHE A 1 248 ? -23.768 -32.776 -4.644 1.00 47.79 ? 226 PHE A CB 1 -ATOM 1718 C CG . PHE A 1 248 ? -23.997 -34.198 -4.989 1.00 62.05 ? 226 PHE A CG 1 -ATOM 1719 C CD1 . PHE A 1 248 ? -23.340 -35.197 -4.283 1.00 57.71 ? 226 PHE A CD1 1 -ATOM 1720 C CD2 . PHE A 1 248 ? -24.861 -34.548 -6.012 1.00 66.26 ? 226 PHE A CD2 1 -ATOM 1721 C CE1 . PHE A 1 248 ? -23.524 -36.523 -4.601 1.00 66.19 ? 226 PHE A CE1 1 -ATOM 1722 C CE2 . PHE A 1 248 ? -25.059 -35.876 -6.339 1.00 64.42 ? 226 PHE A CE2 1 -ATOM 1723 C CZ . PHE A 1 248 ? -24.391 -36.866 -5.628 1.00 70.45 ? 226 PHE A CZ 1 -ATOM 1724 N N . PHE A 1 249 ? -23.520 -30.115 -2.840 1.00 49.30 ? 227 PHE A N 1 -ATOM 1725 C CA . PHE A 1 249 ? -22.791 -28.878 -2.566 1.00 50.15 ? 227 PHE A CA 1 -ATOM 1726 C C . PHE A 1 249 ? -23.354 -28.101 -1.376 1.00 52.90 ? 227 PHE A C 1 -ATOM 1727 O O . PHE A 1 249 ? -23.909 -27.019 -1.564 1.00 52.74 ? 227 PHE A O 1 -ATOM 1728 C CB . PHE A 1 249 ? -22.795 -27.992 -3.811 1.00 41.36 ? 227 PHE A CB 1 -ATOM 1729 C CG . PHE A 1 249 ? -22.113 -28.614 -5.004 1.00 46.83 ? 227 PHE A CG 1 -ATOM 1730 C CD1 . PHE A 1 249 ? -20.741 -28.492 -5.176 1.00 50.85 ? 227 PHE A CD1 1 -ATOM 1731 C CD2 . PHE A 1 249 ? -22.837 -29.319 -5.951 1.00 50.06 ? 227 PHE A CD2 1 -ATOM 1732 C CE1 . PHE A 1 249 ? -20.099 -29.067 -6.283 1.00 50.36 ? 227 PHE A CE1 1 -ATOM 1733 C CE2 . PHE A 1 249 ? -22.201 -29.892 -7.059 1.00 53.60 ? 227 PHE A CE2 1 -ATOM 1734 C CZ . PHE A 1 249 ? -20.825 -29.761 -7.216 1.00 47.84 ? 227 PHE A CZ 1 -ATOM 1735 N N . PRO A 1 250 ? -23.225 -28.655 -0.149 1.00 53.83 ? 228 PRO A N 1 -ATOM 1736 C CA . PRO A 1 250 ? -23.831 -28.078 1.063 1.00 42.45 ? 228 PRO A CA 1 -ATOM 1737 C C . PRO A 1 250 ? -23.299 -26.707 1.488 1.00 59.24 ? 228 PRO A C 1 -ATOM 1738 O O . PRO A 1 250 ? -24.053 -25.918 2.089 1.00 55.16 ? 228 PRO A O 1 -ATOM 1739 C CB . PRO A 1 250 ? -23.535 -29.136 2.142 1.00 42.86 ? 228 PRO A CB 1 -ATOM 1740 C CG . PRO A 1 250 ? -22.423 -29.935 1.622 1.00 37.41 ? 228 PRO A CG 1 -ATOM 1741 C CD . PRO A 1 250 ? -22.589 -29.955 0.134 1.00 45.96 ? 228 PRO A CD 1 -ATOM 1742 N N . GLY A 1 251 ? -22.023 -26.435 1.242 1.00 55.58 ? 229 GLY A N 1 -ATOM 1743 C CA . GLY A 1 251 ? -21.498 -25.122 1.561 1.00 55.00 ? 229 GLY A CA 1 -ATOM 1744 C C . GLY A 1 251 ? -22.103 -24.075 0.648 1.00 58.79 ? 229 GLY A C 1 -ATOM 1745 O O . GLY A 1 251 ? -22.493 -22.992 1.094 1.00 65.39 ? 229 GLY A O 1 -ATOM 1746 N N . SER A 1 252 ? -22.191 -24.406 -0.639 1.00 60.84 ? 230 SER A N 1 -ATOM 1747 C CA . SER A 1 252 ? -22.804 -23.526 -1.633 1.00 48.43 ? 230 SER A CA 1 -ATOM 1748 C C . SER A 1 252 ? -24.300 -23.327 -1.396 1.00 57.97 ? 230 SER A C 1 -ATOM 1749 O O . SER A 1 252 ? -24.829 -22.221 -1.587 1.00 62.42 ? 230 SER A O 1 -ATOM 1750 C CB . SER A 1 252 ? -22.565 -24.072 -3.034 1.00 51.17 ? 230 SER A CB 1 -ATOM 1751 O OG . SER A 1 252 ? -21.241 -23.811 -3.458 1.00 60.61 ? 230 SER A OG 1 -ATOM 1752 N N . ALA A 1 253 ? -24.982 -24.403 -1.002 1.00 52.16 ? 231 ALA A N 1 -ATOM 1753 C CA . ALA A 1 253 ? -26.410 -24.332 -0.701 1.00 61.55 ? 231 ALA A CA 1 -ATOM 1754 C C . ALA A 1 253 ? -26.641 -23.357 0.437 1.00 59.71 ? 231 ALA A C 1 -ATOM 1755 O O . ALA A 1 253 ? -27.524 -22.504 0.369 1.00 60.84 ? 231 ALA A O 1 -ATOM 1756 C CB . ALA A 1 253 ? -26.973 -25.715 -0.342 1.00 56.49 ? 231 ALA A CB 1 -ATOM 1757 N N . GLN A 1 254 ? -25.820 -23.493 1.475 1.00 59.92 ? 232 GLN A N 1 -ATOM 1758 C CA . GLN A 1 254 ? -25.905 -22.669 2.675 1.00 60.68 ? 232 GLN A CA 1 -ATOM 1759 C C . GLN A 1 254 ? -25.637 -21.175 2.417 1.00 55.55 ? 232 GLN A C 1 -ATOM 1760 O O . GLN A 1 254 ? -26.117 -20.335 3.150 1.00 60.07 ? 232 GLN A O 1 -ATOM 1761 C CB . GLN A 1 254 ? -24.918 -23.191 3.728 1.00 60.18 ? 232 GLN A CB 1 -ATOM 1762 C CG . GLN A 1 254 ? -25.220 -22.772 5.164 1.00 75.44 ? 232 GLN A CG 1 -ATOM 1763 C CD . GLN A 1 254 ? -26.459 -23.456 5.732 1.00 95.81 ? 232 GLN A CD 1 -ATOM 1764 O OE1 . GLN A 1 254 ? -26.949 -24.454 5.184 1.00 86.16 ? 232 GLN A OE1 1 -ATOM 1765 N NE2 . GLN A 1 254 ? -26.972 -22.921 6.838 1.00 96.38 ? 232 GLN A NE2 1 -ATOM 1766 N N . SER A 1 255 ? -24.884 -20.850 1.373 1.00 49.98 ? 233 SER A N 1 -ATOM 1767 C CA . SER A 1 255 ? -24.394 -19.489 1.188 1.00 65.55 ? 233 SER A CA 1 -ATOM 1768 C C . SER A 1 255 ? -25.188 -18.716 0.139 1.00 69.59 ? 233 SER A C 1 -ATOM 1769 O O . SER A 1 255 ? -24.928 -17.543 -0.137 1.00 64.95 ? 233 SER A O 1 -ATOM 1770 C CB . SER A 1 255 ? -22.927 -19.531 0.778 1.00 58.64 ? 233 SER A CB 1 -ATOM 1771 O OG . SER A 1 255 ? -22.151 -20.186 1.763 1.00 79.74 ? 233 SER A OG 1 -ATOM 1772 N N . CYS A 1 256 ? -26.165 -19.387 -0.440 1.00 60.80 ? 234 CYS A N 1 -ATOM 1773 C CA . CYS A 1 256 ? -27.003 -18.785 -1.444 1.00 55.03 ? 234 CYS A CA 1 -ATOM 1774 C C . CYS A 1 256 ? -28.276 -19.606 -1.575 1.00 60.87 ? 234 CYS A C 1 -ATOM 1775 O O . CYS A 1 256 ? -28.227 -20.839 -1.632 1.00 67.20 ? 234 CYS A O 1 -ATOM 1776 C CB . CYS A 1 256 ? -26.265 -18.690 -2.784 1.00 41.53 ? 234 CYS A CB 1 -ATOM 1777 S SG . CYS A 1 256 ? -27.227 -17.832 -4.068 1.00 56.00 ? 234 CYS A SG 1 -ATOM 1778 N N . GLU A 1 257 ? -29.408 -18.909 -1.616 1.00 68.11 ? 235 GLU A N 1 -ATOM 1779 C CA . GLU A 1 257 ? -30.730 -19.531 -1.696 1.00 62.08 ? 235 GLU A CA 1 -ATOM 1780 C C . GLU A 1 257 ? -30.935 -20.245 -3.028 1.00 55.54 ? 235 GLU A C 1 -ATOM 1781 O O . GLU A 1 257 ? -31.776 -21.126 -3.143 1.00 60.66 ? 235 GLU A O 1 -ATOM 1782 C CB . GLU A 1 257 ? -31.819 -18.474 -1.476 1.00 58.23 ? 235 GLU A CB 1 -ATOM 1783 N N . ALA A 1 258 ? -30.151 -19.872 -4.037 1.00 60.34 ? 236 ALA A N 1 -ATOM 1784 C CA . ALA A 1 258 ? -30.244 -20.526 -5.333 1.00 53.84 ? 236 ALA A CA 1 -ATOM 1785 C C . ALA A 1 258 ? -28.884 -20.665 -6.016 1.00 41.55 ? 236 ALA A C 1 -ATOM 1786 O O . ALA A 1 258 ? -28.693 -20.122 -7.101 1.00 46.29 ? 236 ALA A O 1 -ATOM 1787 C CB . ALA A 1 258 ? -31.201 -19.746 -6.233 1.00 54.39 ? 236 ALA A CB 1 -ATOM 1788 N N . PHE A 1 259 ? -27.969 -21.459 -5.460 1.00 43.15 ? 237 PHE A N 1 -ATOM 1789 C CA . PHE A 1 259 ? -26.579 -21.422 -5.960 1.00 45.20 ? 237 PHE A CA 1 -ATOM 1790 C C . PHE A 1 259 ? -26.428 -21.878 -7.410 1.00 46.81 ? 237 PHE A C 1 -ATOM 1791 O O . PHE A 1 259 ? -25.433 -21.538 -8.072 1.00 48.19 ? 237 PHE A O 1 -ATOM 1792 C CB . PHE A 1 259 ? -25.639 -22.245 -5.057 1.00 52.87 ? 237 PHE A CB 1 -ATOM 1793 C CG . PHE A 1 259 ? -25.793 -23.743 -5.189 1.00 46.07 ? 237 PHE A CG 1 -ATOM 1794 C CD1 . PHE A 1 259 ? -26.875 -24.403 -4.617 1.00 46.30 ? 237 PHE A CD1 1 -ATOM 1795 C CD2 . PHE A 1 259 ? -24.835 -24.489 -5.840 1.00 45.13 ? 237 PHE A CD2 1 -ATOM 1796 C CE1 . PHE A 1 259 ? -27.012 -25.780 -4.731 1.00 47.31 ? 237 PHE A CE1 1 -ATOM 1797 C CE2 . PHE A 1 259 ? -24.960 -25.873 -5.959 1.00 55.89 ? 237 PHE A CE2 1 -ATOM 1798 C CZ . PHE A 1 259 ? -26.065 -26.520 -5.408 1.00 41.16 ? 237 PHE A CZ 1 -ATOM 1799 N N . LEU A 1 260 ? -27.408 -22.618 -7.924 1.00 38.98 ? 238 LEU A N 1 -ATOM 1800 C CA . LEU A 1 260 ? -27.355 -23.066 -9.317 1.00 34.62 ? 238 LEU A CA 1 -ATOM 1801 C C . LEU A 1 260 ? -27.470 -21.927 -10.340 1.00 45.34 ? 238 LEU A C 1 -ATOM 1802 O O . LEU A 1 260 ? -27.001 -22.081 -11.470 1.00 43.67 ? 238 LEU A O 1 -ATOM 1803 C CB . LEU A 1 260 ? -28.446 -24.105 -9.612 1.00 42.65 ? 238 LEU A CB 1 -ATOM 1804 C CG . LEU A 1 260 ? -28.330 -25.545 -9.081 1.00 38.14 ? 238 LEU A CG 1 -ATOM 1805 C CD1 . LEU A 1 260 ? -29.433 -26.350 -9.690 1.00 31.44 ? 238 LEU A CD1 1 -ATOM 1806 C CD2 . LEU A 1 260 ? -26.968 -26.220 -9.340 1.00 43.99 ? 238 LEU A CD2 1 -ATOM 1807 N N . ARG A 1 261 ? -28.100 -20.802 -9.972 1.00 31.54 ? 239 ARG A N 1 -ATOM 1808 C CA . ARG A 1 261 ? -28.108 -19.621 -10.850 1.00 45.26 ? 239 ARG A CA 1 -ATOM 1809 C C . ARG A 1 261 ? -26.692 -19.078 -11.154 1.00 41.25 ? 239 ARG A C 1 -ATOM 1810 O O . ARG A 1 261 ? -26.525 -18.226 -12.026 1.00 49.85 ? 239 ARG A O 1 -ATOM 1811 C CB . ARG A 1 261 ? -28.967 -18.501 -10.246 1.00 47.21 ? 239 ARG A CB 1 -ATOM 1812 C CG . ARG A 1 261 ? -30.413 -18.887 -10.080 1.00 56.40 ? 239 ARG A CG 1 -ATOM 1813 C CD . ARG A 1 261 ? -31.315 -17.797 -10.582 1.00 62.17 ? 239 ARG A CD 1 -ATOM 1814 N NE . ARG A 1 261 ? -32.706 -18.123 -10.308 1.00 62.70 ? 239 ARG A NE 1 -ATOM 1815 C CZ . ARG A 1 261 ? -33.586 -18.508 -11.223 1.00 59.17 ? 239 ARG A CZ 1 -ATOM 1816 N NH1 . ARG A 1 261 ? -33.232 -18.586 -12.498 1.00 54.94 ? 239 ARG A NH1 1 -ATOM 1817 N NH2 . ARG A 1 261 ? -34.829 -18.785 -10.856 1.00 46.34 ? 239 ARG A NH2 1 -ATOM 1818 N N . HIS A 1 262 ? -25.683 -19.519 -10.409 1.00 37.94 ? 240 HIS A N 1 -ATOM 1819 C CA . HIS A 1 262 ? -24.308 -19.114 -10.725 1.00 44.08 ? 240 HIS A CA 1 -ATOM 1820 C C . HIS A 1 262 ? -23.801 -19.782 -11.995 1.00 52.54 ? 240 HIS A C 1 -ATOM 1821 O O . HIS A 1 262 ? -22.772 -19.376 -12.536 1.00 49.26 ? 240 HIS A O 1 -ATOM 1822 C CB . HIS A 1 262 ? -23.381 -19.418 -9.565 1.00 42.64 ? 240 HIS A CB 1 -ATOM 1823 C CG . HIS A 1 262 ? -23.817 -18.791 -8.282 1.00 33.23 ? 240 HIS A CG 1 -ATOM 1824 N ND1 . HIS A 1 262 ? -23.331 -19.182 -7.055 1.00 43.80 ? 240 HIS A ND1 1 -ATOM 1825 C CD2 . HIS A 1 262 ? -24.700 -17.798 -8.040 1.00 44.51 ? 240 HIS A CD2 1 -ATOM 1826 C CE1 . HIS A 1 262 ? -23.899 -18.454 -6.108 1.00 37.15 ? 240 HIS A CE1 1 -ATOM 1827 N NE2 . HIS A 1 262 ? -24.732 -17.605 -6.681 1.00 41.93 ? 240 HIS A NE2 1 -ATOM 1828 N N . LYS A 1 263 ? -24.509 -20.824 -12.446 1.00 37.35 ? 241 LYS A N 1 -ATOM 1829 C CA . LYS A 1 263 ? -24.199 -21.489 -13.709 1.00 37.26 ? 241 LYS A CA 1 -ATOM 1830 C C . LYS A 1 263 ? -22.762 -22.026 -13.720 1.00 41.86 ? 241 LYS A C 1 -ATOM 1831 O O . LYS A 1 263 ? -22.085 -22.027 -14.759 1.00 42.88 ? 241 LYS A O 1 -ATOM 1832 C CB . LYS A 1 263 ? -24.468 -20.528 -14.881 1.00 46.45 ? 241 LYS A CB 1 -ATOM 1833 C CG . LYS A 1 263 ? -25.996 -20.281 -15.122 1.00 43.43 ? 241 LYS A CG 1 -ATOM 1834 C CD . LYS A 1 263 ? -26.324 -18.833 -15.504 1.00 62.51 ? 241 LYS A CD 1 -ATOM 1835 C CE . LYS A 1 263 ? -27.847 -18.572 -15.541 1.00 66.71 ? 241 LYS A CE 1 -ATOM 1836 N NZ . LYS A 1 263 ? -28.295 -17.322 -14.790 1.00 52.25 ? 241 LYS A NZ 1 -ATOM 1837 N N . MET A 1 264 ? -22.337 -22.508 -12.550 1.00 42.37 ? 242 MET A N 1 -ATOM 1838 C CA . MET A 1 264 ? -21.006 -23.105 -12.323 1.00 42.73 ? 242 MET A CA 1 -ATOM 1839 C C . MET A 1 264 ? -21.042 -24.628 -12.078 1.00 46.12 ? 242 MET A C 1 -ATOM 1840 O O . MET A 1 264 ? -19.999 -25.241 -11.884 1.00 50.76 ? 242 MET A O 1 -ATOM 1841 C CB . MET A 1 264 ? -20.333 -22.470 -11.098 1.00 40.56 ? 242 MET A CB 1 -ATOM 1842 C CG . MET A 1 264 ? -20.109 -20.946 -11.152 1.00 51.94 ? 242 MET A CG 1 -ATOM 1843 S SD . MET A 1 264 ? -19.465 -20.276 -9.576 1.00 56.54 ? 242 MET A SD 1 -ATOM 1844 C CE . MET A 1 264 ? -17.890 -21.140 -9.439 1.00 51.18 ? 242 MET A CE 1 -ATOM 1845 N N . THR A 1 265 ? -22.226 -25.244 -12.062 1.00 50.01 ? 243 THR A N 1 -ATOM 1846 C CA . THR A 1 265 ? -22.303 -26.644 -11.633 1.00 53.54 ? 243 THR A CA 1 -ATOM 1847 C C . THR A 1 265 ? -22.532 -27.630 -12.767 1.00 47.73 ? 243 THR A C 1 -ATOM 1848 O O . THR A 1 265 ? -23.504 -27.537 -13.498 1.00 43.02 ? 243 THR A O 1 -ATOM 1849 C CB . THR A 1 265 ? -23.414 -26.851 -10.610 1.00 52.96 ? 243 THR A CB 1 -ATOM 1850 O OG1 . THR A 1 265 ? -23.242 -25.918 -9.533 1.00 47.84 ? 243 THR A OG1 1 -ATOM 1851 C CG2 . THR A 1 265 ? -23.370 -28.294 -10.068 1.00 51.92 ? 243 THR A CG2 1 -ATOM 1852 N N . LEU A 1 266 ? -21.623 -28.578 -12.925 1.00 48.34 ? 244 LEU A N 1 -ATOM 1853 C CA . LEU A 1 266 ? -21.823 -29.613 -13.926 1.00 41.03 ? 244 LEU A CA 1 -ATOM 1854 C C . LEU A 1 266 ? -22.048 -30.960 -13.223 1.00 45.29 ? 244 LEU A C 1 -ATOM 1855 O O . LEU A 1 266 ? -21.368 -31.290 -12.251 1.00 49.39 ? 244 LEU A O 1 -ATOM 1856 C CB . LEU A 1 266 ? -20.641 -29.694 -14.879 1.00 39.60 ? 244 LEU A CB 1 -ATOM 1857 C CG . LEU A 1 266 ? -20.382 -28.521 -15.811 1.00 59.06 ? 244 LEU A CG 1 -ATOM 1858 C CD1 . LEU A 1 266 ? -18.995 -28.733 -16.384 1.00 48.14 ? 244 LEU A CD1 1 -ATOM 1859 C CD2 . LEU A 1 266 ? -21.457 -28.413 -16.925 1.00 47.24 ? 244 LEU A CD2 1 -ATOM 1860 N N . ILE A 1 267 ? -23.016 -31.723 -13.710 1.00 44.23 ? 245 ILE A N 1 -ATOM 1861 C CA . ILE A 1 267 ? -23.410 -32.989 -13.092 1.00 42.18 ? 245 ILE A CA 1 -ATOM 1862 C C . ILE A 1 267 ? -23.633 -33.979 -14.233 1.00 38.41 ? 245 ILE A C 1 -ATOM 1863 O O . ILE A 1 267 ? -24.443 -33.735 -15.104 1.00 40.62 ? 245 ILE A O 1 -ATOM 1864 C CB . ILE A 1 267 ? -24.689 -32.839 -12.209 1.00 44.92 ? 245 ILE A CB 1 -ATOM 1865 C CG1 . ILE A 1 267 ? -24.435 -31.867 -11.072 1.00 37.84 ? 245 ILE A CG1 1 -ATOM 1866 C CG2 . ILE A 1 267 ? -25.107 -34.178 -11.571 1.00 46.61 ? 245 ILE A CG2 1 -ATOM 1867 C CD1 . ILE A 1 267 ? -25.702 -31.361 -10.377 1.00 41.99 ? 245 ILE A CD1 1 -ATOM 1868 N N . SER A 1 268 ? -22.852 -35.056 -14.277 1.00 35.62 ? 246 SER A N 1 -ATOM 1869 C CA . SER A 1 268 ? -22.900 -35.972 -15.422 1.00 42.51 ? 246 SER A CA 1 -ATOM 1870 C C . SER A 1 268 ? -24.228 -36.733 -15.522 1.00 36.37 ? 246 SER A C 1 -ATOM 1871 O O . SER A 1 268 ? -24.923 -36.923 -14.532 1.00 36.28 ? 246 SER A O 1 -ATOM 1872 C CB . SER A 1 268 ? -21.726 -36.965 -15.350 1.00 36.55 ? 246 SER A CB 1 -ATOM 1873 O OG . SER A 1 268 ? -22.009 -37.954 -14.386 1.00 49.41 ? 246 SER A OG 1 -ATOM 1874 N N . PRO A 1 269 ? -24.586 -37.168 -16.727 1.00 37.81 ? 247 PRO A N 1 -ATOM 1875 C CA . PRO A 1 269 ? -25.823 -37.939 -16.860 1.00 43.58 ? 247 PRO A CA 1 -ATOM 1876 C C . PRO A 1 269 ? -25.789 -39.259 -16.067 1.00 49.65 ? 247 PRO A C 1 -ATOM 1877 O O . PRO A 1 269 ? -26.861 -39.715 -15.662 1.00 48.12 ? 247 PRO A O 1 -ATOM 1878 C CB . PRO A 1 269 ? -25.916 -38.208 -18.366 1.00 48.07 ? 247 PRO A CB 1 -ATOM 1879 C CG . PRO A 1 269 ? -24.499 -38.064 -18.871 1.00 42.04 ? 247 PRO A CG 1 -ATOM 1880 C CD . PRO A 1 269 ? -23.927 -36.956 -18.026 1.00 42.75 ? 247 PRO A CD 1 -ATOM 1881 N N . LEU A 1 270 ? -24.613 -39.851 -15.833 1.00 46.73 ? 248 LEU A N 1 -ATOM 1882 C CA . LEU A 1 270 ? -24.559 -41.085 -15.028 1.00 55.50 ? 248 LEU A CA 1 -ATOM 1883 C C . LEU A 1 270 ? -24.956 -40.798 -13.584 1.00 54.04 ? 248 LEU A C 1 -ATOM 1884 O O . LEU A 1 270 ? -25.654 -41.609 -12.941 1.00 45.76 ? 248 LEU A O 1 -ATOM 1885 C CB . LEU A 1 270 ? -23.177 -41.752 -15.053 1.00 48.49 ? 248 LEU A CB 1 -ATOM 1886 C CG . LEU A 1 270 ? -22.602 -42.266 -16.377 1.00 49.67 ? 248 LEU A CG 1 -ATOM 1887 C CD1 . LEU A 1 270 ? -21.344 -43.071 -16.080 1.00 63.98 ? 248 LEU A CD1 1 -ATOM 1888 C CD2 . LEU A 1 270 ? -23.578 -43.083 -17.184 1.00 62.39 ? 248 LEU A CD2 1 -ATOM 1889 N N . MET A 1 271 ? -24.486 -39.657 -13.068 1.00 45.47 ? 249 MET A N 1 -ATOM 1890 C CA . MET A 1 271 ? -24.809 -39.246 -11.696 1.00 42.01 ? 249 MET A CA 1 -ATOM 1891 C C . MET A 1 271 ? -26.314 -39.034 -11.525 1.00 39.10 ? 249 MET A C 1 -ATOM 1892 O O . MET A 1 271 ? -26.893 -39.360 -10.493 1.00 50.79 ? 249 MET A O 1 -ATOM 1893 C CB . MET A 1 271 ? -24.085 -37.952 -11.335 1.00 44.84 ? 249 MET A CB 1 -ATOM 1894 C CG . MET A 1 271 ? -23.744 -37.842 -9.882 1.00 49.62 ? 249 MET A CG 1 -ATOM 1895 S SD . MET A 1 271 ? -22.690 -39.221 -9.361 1.00 65.97 ? 249 MET A SD 1 -ATOM 1896 C CE . MET A 1 271 ? -22.184 -38.639 -7.741 1.00 48.98 ? 249 MET A CE 1 -ATOM 1897 N N . LEU A 1 272 ? -26.933 -38.450 -12.538 1.00 35.12 ? 250 LEU A N 1 -ATOM 1898 C CA . LEU A 1 272 ? -28.369 -38.200 -12.516 1.00 48.62 ? 250 LEU A CA 1 -ATOM 1899 C C . LEU A 1 272 ? -29.084 -39.550 -12.516 1.00 51.47 ? 250 LEU A C 1 -ATOM 1900 O O . LEU A 1 272 ? -30.048 -39.758 -11.798 1.00 45.94 ? 250 LEU A O 1 -ATOM 1901 C CB . LEU A 1 272 ? -28.795 -37.371 -13.733 1.00 41.48 ? 250 LEU A CB 1 -ATOM 1902 C CG . LEU A 1 272 ? -28.315 -35.912 -13.897 1.00 45.84 ? 250 LEU A CG 1 -ATOM 1903 C CD1 . LEU A 1 272 ? -29.174 -35.156 -14.914 1.00 36.73 ? 250 LEU A CD1 1 -ATOM 1904 C CD2 . LEU A 1 272 ? -28.359 -35.201 -12.588 1.00 40.49 ? 250 LEU A CD2 1 -ATOM 1905 N N . LYS A 1 273 ? -28.600 -40.447 -13.369 1.00 45.76 ? 251 LYS A N 1 -ATOM 1906 C CA . LYS A 1 273 ? -29.141 -41.795 -13.511 1.00 55.01 ? 251 LYS A CA 1 -ATOM 1907 C C . LYS A 1 273 ? -29.039 -42.535 -12.178 1.00 53.04 ? 251 LYS A C 1 -ATOM 1908 O O . LYS A 1 273 ? -30.005 -43.142 -11.720 1.00 45.90 ? 251 LYS A O 1 -ATOM 1909 C CB . LYS A 1 273 ? -28.379 -42.559 -14.598 1.00 52.38 ? 251 LYS A CB 1 -ATOM 1910 C CG . LYS A 1 273 ? -29.159 -42.872 -15.842 1.00 47.85 ? 251 LYS A CG 1 -ATOM 1911 C CD . LYS A 1 273 ? -28.593 -44.125 -16.506 1.00 56.89 ? 251 LYS A CD 1 -ATOM 1912 C CE . LYS A 1 273 ? -29.697 -44.913 -17.238 1.00 57.96 ? 251 LYS A CE 1 -ATOM 1913 N NZ . LYS A 1 273 ? -29.184 -46.157 -17.928 1.00 69.56 ? 251 LYS A NZ 1 -ATOM 1914 N N . LYS A 1 274 ? -27.873 -42.417 -11.542 1.00 50.60 ? 252 LYS A N 1 -ATOM 1915 C CA . LYS A 1 274 ? -27.585 -43.115 -10.294 1.00 47.80 ? 252 LYS A CA 1 -ATOM 1916 C C . LYS A 1 274 ? -28.524 -42.660 -9.182 1.00 52.53 ? 252 LYS A C 1 -ATOM 1917 O O . LYS A 1 274 ? -28.845 -43.436 -8.286 1.00 52.35 ? 252 LYS A O 1 -ATOM 1918 C CB . LYS A 1 274 ? -26.116 -42.907 -9.887 1.00 52.43 ? 252 LYS A CB 1 -ATOM 1919 C CG . LYS A 1 274 ? -25.645 -43.802 -8.731 1.00 54.40 ? 252 LYS A CG 1 -ATOM 1920 C CD . LYS A 1 274 ? -24.210 -43.493 -8.286 1.00 46.80 ? 252 LYS A CD 1 -ATOM 1921 N N . TYR A 1 275 ? -28.931 -41.394 -9.205 1.00 43.50 ? 253 TYR A N 1 -ATOM 1922 C CA . TYR A 1 275 ? -29.840 -40.890 -8.173 1.00 40.07 ? 253 TYR A CA 1 -ATOM 1923 C C . TYR A 1 275 ? -31.265 -40.721 -8.646 1.00 48.90 ? 253 TYR A C 1 -ATOM 1924 O O . TYR A 1 275 ? -32.060 -40.026 -8.003 1.00 48.39 ? 253 TYR A O 1 -ATOM 1925 C CB . TYR A 1 275 ? -29.320 -39.585 -7.589 1.00 45.39 ? 253 TYR A CB 1 -ATOM 1926 C CG . TYR A 1 275 ? -28.099 -39.885 -6.795 1.00 50.32 ? 253 TYR A CG 1 -ATOM 1927 C CD1 . TYR A 1 275 ? -28.207 -40.335 -5.494 1.00 45.05 ? 253 TYR A CD1 1 -ATOM 1928 C CD2 . TYR A 1 275 ? -26.842 -39.771 -7.351 1.00 49.73 ? 253 TYR A CD2 1 -ATOM 1929 C CE1 . TYR A 1 275 ? -27.095 -40.647 -4.760 1.00 51.66 ? 253 TYR A CE1 1 -ATOM 1930 C CE2 . TYR A 1 275 ? -25.716 -40.074 -6.610 1.00 49.68 ? 253 TYR A CE2 1 -ATOM 1931 C CZ . TYR A 1 275 ? -25.856 -40.520 -5.319 1.00 46.42 ? 253 TYR A CZ 1 -ATOM 1932 O OH . TYR A 1 275 ? -24.752 -40.839 -4.562 1.00 63.74 ? 253 TYR A OH 1 -ATOM 1933 N N . GLY A 1 276 ? -31.567 -41.322 -9.794 1.00 49.35 ? 254 GLY A N 1 -ATOM 1934 C CA . GLY A 1 276 ? -32.928 -41.421 -10.282 1.00 54.14 ? 254 GLY A CA 1 -ATOM 1935 C C . GLY A 1 276 ? -33.656 -40.134 -10.631 1.00 58.32 ? 254 GLY A C 1 -ATOM 1936 O O . GLY A 1 276 ? -34.846 -40.002 -10.341 1.00 52.96 ? 254 GLY A O 1 -ATOM 1937 N N A ILE A 1 277 ? -32.934 -39.194 -11.248 0.62 51.06 ? 255 ILE A N 1 -ATOM 1938 N N B ILE A 1 277 ? -32.978 -39.180 -11.245 0.38 51.05 ? 255 ILE A N 1 -ATOM 1939 C CA A ILE A 1 277 ? -33.526 -37.983 -11.836 0.62 47.78 ? 255 ILE A CA 1 -ATOM 1940 C CA B ILE A 1 277 ? -33.709 -38.013 -11.703 0.38 47.88 ? 255 ILE A CA 1 -ATOM 1941 C C A ILE A 1 277 ? -33.826 -38.149 -13.319 0.62 47.36 ? 255 ILE A C 1 -ATOM 1942 C C B ILE A 1 277 ? -33.855 -38.114 -13.221 0.38 47.36 ? 255 ILE A C 1 -ATOM 1943 O O A ILE A 1 277 ? -32.921 -38.395 -14.120 0.62 47.99 ? 255 ILE A O 1 -ATOM 1944 O O B ILE A 1 277 ? -32.885 -38.352 -13.944 0.38 48.00 ? 255 ILE A O 1 -ATOM 1945 C CB A ILE A 1 277 ? -32.596 -36.743 -11.707 0.62 50.38 ? 255 ILE A CB 1 -ATOM 1946 C CB B ILE A 1 277 ? -33.027 -36.690 -11.247 0.38 51.22 ? 255 ILE A CB 1 -ATOM 1947 C CG1 A ILE A 1 277 ? -32.041 -36.590 -10.290 0.62 45.60 ? 255 ILE A CG1 1 -ATOM 1948 C CG1 B ILE A 1 277 ? -31.800 -36.352 -12.084 0.38 46.43 ? 255 ILE A CG1 1 -ATOM 1949 C CG2 A ILE A 1 277 ? -33.354 -35.472 -12.130 0.62 49.16 ? 255 ILE A CG2 1 -ATOM 1950 C CG2 B ILE A 1 277 ? -32.635 -36.768 -9.783 0.38 50.51 ? 255 ILE A CG2 1 -ATOM 1951 C CD1 A ILE A 1 277 ? -33.116 -36.367 -9.237 0.62 53.09 ? 255 ILE A CD1 1 -ATOM 1952 C CD1 B ILE A 1 277 ? -32.090 -35.343 -13.148 0.38 46.69 ? 255 ILE A CD1 1 -ATOM 1953 N N . PRO A 1 278 ? -35.091 -37.977 -13.713 1.00 47.46 ? 256 PRO A N 1 -ATOM 1954 C CA . PRO A 1 278 ? -35.368 -38.128 -15.149 1.00 45.51 ? 256 PRO A CA 1 -ATOM 1955 C C . PRO A 1 278 ? -34.697 -37.027 -15.961 1.00 47.57 ? 256 PRO A C 1 -ATOM 1956 O O . PRO A 1 278 ? -34.681 -35.884 -15.501 1.00 54.91 ? 256 PRO A O 1 -ATOM 1957 C CB . PRO A 1 278 ? -36.894 -38.010 -15.236 1.00 45.95 ? 256 PRO A CB 1 -ATOM 1958 C CG . PRO A 1 278 ? -37.390 -38.144 -13.808 1.00 49.05 ? 256 PRO A CG 1 -ATOM 1959 C CD . PRO A 1 278 ? -36.286 -37.618 -12.942 1.00 50.49 ? 256 PRO A CD 1 -ATOM 1960 N N . PHE A 1 279 ? -34.146 -37.362 -17.123 1.00 32.50 ? 257 PHE A N 1 -ATOM 1961 C CA . PHE A 1 279 ? -33.550 -36.387 -18.019 1.00 47.65 ? 257 PHE A CA 1 -ATOM 1962 C C . PHE A 1 279 ? -33.628 -36.952 -19.412 1.00 50.71 ? 257 PHE A C 1 -ATOM 1963 O O . PHE A 1 279 ? -33.878 -38.135 -19.589 1.00 50.38 ? 257 PHE A O 1 -ATOM 1964 C CB . PHE A 1 279 ? -32.074 -36.067 -17.655 1.00 42.30 ? 257 PHE A CB 1 -ATOM 1965 C CG . PHE A 1 279 ? -31.102 -37.207 -17.927 1.00 40.05 ? 257 PHE A CG 1 -ATOM 1966 C CD1 . PHE A 1 279 ? -30.496 -37.345 -19.166 1.00 42.01 ? 257 PHE A CD1 1 -ATOM 1967 C CD2 . PHE A 1 279 ? -30.798 -38.127 -16.947 1.00 49.42 ? 257 PHE A CD2 1 -ATOM 1968 C CE1 . PHE A 1 279 ? -29.615 -38.375 -19.422 1.00 48.64 ? 257 PHE A CE1 1 -ATOM 1969 C CE2 . PHE A 1 279 ? -29.902 -39.184 -17.200 1.00 41.62 ? 257 PHE A CE2 1 -ATOM 1970 C CZ . PHE A 1 279 ? -29.328 -39.307 -18.434 1.00 40.77 ? 257 PHE A CZ 1 -ATOM 1971 N N . ASP A 1 280 ? -33.381 -36.100 -20.394 1.00 48.93 ? 258 ASP A N 1 -ATOM 1972 C CA . ASP A 1 280 ? -33.334 -36.494 -21.780 1.00 39.81 ? 258 ASP A CA 1 -ATOM 1973 C C . ASP A 1 280 ? -32.163 -35.767 -22.426 1.00 49.42 ? 258 ASP A C 1 -ATOM 1974 O O . ASP A 1 280 ? -31.669 -34.784 -21.880 1.00 47.33 ? 258 ASP A O 1 -ATOM 1975 C CB . ASP A 1 280 ? -34.645 -36.168 -22.472 1.00 41.65 ? 258 ASP A CB 1 -ATOM 1976 C CG . ASP A 1 280 ? -34.903 -37.054 -23.684 1.00 60.96 ? 258 ASP A CG 1 -ATOM 1977 O OD1 . ASP A 1 280 ? -33.974 -37.780 -24.128 1.00 63.90 ? 258 ASP A OD1 1 -ATOM 1978 O OD2 . ASP A 1 280 ? -36.042 -37.020 -24.194 1.00 65.49 ? 258 ASP A OD2 1 -ATOM 1979 N N . LYS A 1 281 ? -31.705 -36.235 -23.581 1.00 50.15 ? 259 LYS A N 1 -ATOM 1980 C CA . LYS A 1 281 ? -30.625 -35.534 -24.256 1.00 47.10 ? 259 LYS A CA 1 -ATOM 1981 C C . LYS A 1 281 ? -30.939 -35.381 -25.728 1.00 49.31 ? 259 LYS A C 1 -ATOM 1982 O O . LYS A 1 281 ? -31.753 -36.117 -26.281 1.00 48.36 ? 259 LYS A O 1 -ATOM 1983 C CB . LYS A 1 281 ? -29.295 -36.267 -24.056 1.00 56.39 ? 259 LYS A CB 1 -ATOM 1984 C CG . LYS A 1 281 ? -29.293 -37.702 -24.550 1.00 59.55 ? 259 LYS A CG 1 -ATOM 1985 C CD . LYS A 1 281 ? -27.974 -38.432 -24.235 1.00 65.98 ? 259 LYS A CD 1 -ATOM 1986 C CE . LYS A 1 281 ? -28.089 -39.348 -23.019 1.00 63.17 ? 259 LYS A CE 1 -ATOM 1987 N NZ . LYS A 1 281 ? -26.914 -40.269 -22.890 1.00 63.30 ? 259 LYS A NZ 1 -ATOM 1988 N N . VAL A 1 282 ? -30.310 -34.397 -26.356 1.00 48.59 ? 260 VAL A N 1 -ATOM 1989 C CA . VAL A 1 282 ? -30.573 -34.110 -27.752 1.00 50.54 ? 260 VAL A CA 1 -ATOM 1990 C C . VAL A 1 282 ? -29.325 -33.466 -28.301 1.00 49.88 ? 260 VAL A C 1 -ATOM 1991 O O . VAL A 1 282 ? -28.580 -32.812 -27.559 1.00 52.10 ? 260 VAL A O 1 -ATOM 1992 C CB . VAL A 1 282 ? -31.775 -33.141 -27.956 1.00 47.83 ? 260 VAL A CB 1 -ATOM 1993 C CG1 . VAL A 1 282 ? -31.308 -31.691 -27.868 1.00 37.74 ? 260 VAL A CG1 1 -ATOM 1994 C CG2 . VAL A 1 282 ? -32.386 -33.334 -29.310 1.00 44.16 ? 260 VAL A CG2 1 -ATOM 1995 N N . THR A 1 283 ? -29.080 -33.664 -29.589 1.00 52.65 ? 261 THR A N 1 -ATOM 1996 C CA . THR A 1 283 ? -27.997 -32.967 -30.264 1.00 59.31 ? 261 THR A CA 1 -ATOM 1997 C C . THR A 1 283 ? -28.601 -31.992 -31.262 1.00 53.51 ? 261 THR A C 1 -ATOM 1998 O O . THR A 1 283 ? -29.517 -32.340 -32.013 1.00 56.86 ? 261 THR A O 1 -ATOM 1999 C CB . THR A 1 283 ? -27.030 -33.944 -30.959 1.00 58.47 ? 261 THR A CB 1 -ATOM 2000 O OG1 . THR A 1 283 ? -26.429 -34.786 -29.966 1.00 62.68 ? 261 THR A OG1 1 -ATOM 2001 C CG2 . THR A 1 283 ? -25.938 -33.188 -31.701 1.00 50.22 ? 261 THR A CG2 1 -ATOM 2002 N N . GLN A 1 284 ? -28.124 -30.754 -31.212 1.00 49.30 ? 262 GLN A N 1 -ATOM 2003 C CA . GLN A 1 284 ? -28.596 -29.672 -32.074 1.00 55.00 ? 262 GLN A CA 1 -ATOM 2004 C C . GLN A 1 284 ? -27.566 -29.442 -33.172 1.00 54.95 ? 262 GLN A C 1 -ATOM 2005 O O . GLN A 1 284 ? -26.422 -29.111 -32.873 1.00 62.78 ? 262 GLN A O 1 -ATOM 2006 C CB . GLN A 1 284 ? -28.813 -28.396 -31.238 1.00 45.18 ? 262 GLN A CB 1 -ATOM 2007 C CG . GLN A 1 284 ? -29.108 -27.144 -32.025 1.00 47.16 ? 262 GLN A CG 1 -ATOM 2008 C CD . GLN A 1 284 ? -28.831 -25.864 -31.221 1.00 58.71 ? 262 GLN A CD 1 -ATOM 2009 O OE1 . GLN A 1 284 ? -28.014 -25.867 -30.297 1.00 60.15 ? 262 GLN A OE1 1 -ATOM 2010 N NE2 . GLN A 1 284 ? -29.536 -24.778 -31.551 1.00 48.80 ? 262 GLN A NE2 1 -ATOM 2011 N N . GLU A 1 285 ? -27.943 -29.593 -34.438 1.00 57.49 ? 263 GLU A N 1 -ATOM 2012 C CA . GLU A 1 285 ? -26.968 -29.345 -35.499 1.00 57.83 ? 263 GLU A CA 1 -ATOM 2013 C C . GLU A 1 285 ? -27.216 -27.997 -36.144 1.00 66.40 ? 263 GLU A C 1 -ATOM 2014 O O . GLU A 1 285 ? -28.294 -27.420 -35.976 1.00 72.95 ? 263 GLU A O 1 -ATOM 2015 C CB . GLU A 1 285 ? -27.000 -30.456 -36.553 1.00 53.36 ? 263 GLU A CB 1 -ATOM 2016 N N . ALA A 1 286 ? -26.224 -27.508 -36.892 1.00 48.27 ? 264 ALA A N 1 -ATOM 2017 C CA . ALA A 1 286 ? -26.286 -26.159 -37.446 1.00 64.18 ? 264 ALA A CA 1 -ATOM 2018 C C . ALA A 1 286 ? -27.566 -25.959 -38.257 1.00 60.02 ? 264 ALA A C 1 -ATOM 2019 O O . ALA A 1 286 ? -27.932 -26.811 -39.060 1.00 63.19 ? 264 ALA A O 1 -ATOM 2020 C CB . ALA A 1 286 ? -25.056 -25.880 -38.295 1.00 48.52 ? 264 ALA A CB 1 -ATOM 2021 N N . GLY A 1 287 ? -28.263 -24.850 -38.022 1.00 65.95 ? 265 GLY A N 1 -ATOM 2022 C CA . GLY A 1 287 ? -29.470 -24.552 -38.775 1.00 52.96 ? 265 GLY A CA 1 -ATOM 2023 C C . GLY A 1 287 ? -30.744 -24.966 -38.061 1.00 64.52 ? 265 GLY A C 1 -ATOM 2024 O O . GLY A 1 287 ? -31.847 -24.878 -38.610 1.00 65.08 ? 265 GLY A O 1 -ATOM 2025 N N . GLU A 1 288 ? -30.597 -25.412 -36.820 1.00 68.67 ? 266 GLU A N 1 -ATOM 2026 C CA . GLU A 1 288 ? -31.741 -25.820 -36.018 1.00 61.56 ? 266 GLU A CA 1 -ATOM 2027 C C . GLU A 1 288 ? -31.864 -24.942 -34.761 1.00 59.62 ? 266 GLU A C 1 -ATOM 2028 O O . GLU A 1 288 ? -30.864 -24.406 -34.266 1.00 55.92 ? 266 GLU A O 1 -ATOM 2029 C CB . GLU A 1 288 ? -31.619 -27.297 -35.634 1.00 52.23 ? 266 GLU A CB 1 -ATOM 2030 N N . PHE A 1 289 ? -33.096 -24.808 -34.270 1.00 57.51 ? 267 PHE A N 1 -ATOM 2031 C CA . PHE A 1 289 ? -33.436 -24.058 -33.058 1.00 56.70 ? 267 PHE A CA 1 -ATOM 2032 C C . PHE A 1 289 ? -33.601 -24.966 -31.852 1.00 47.53 ? 267 PHE A C 1 -ATOM 2033 O O . PHE A 1 289 ? -34.154 -26.057 -31.981 1.00 60.06 ? 267 PHE A O 1 -ATOM 2034 C CB . PHE A 1 289 ? -34.755 -23.278 -33.238 1.00 48.85 ? 267 PHE A CB 1 -ATOM 2035 C CG . PHE A 1 289 ? -34.640 -22.056 -34.094 1.00 51.22 ? 267 PHE A CG 1 -ATOM 2036 C CD1 . PHE A 1 289 ? -34.220 -20.855 -33.549 1.00 54.17 ? 267 PHE A CD1 1 -ATOM 2037 C CD2 . PHE A 1 289 ? -34.981 -22.093 -35.438 1.00 60.77 ? 267 PHE A CD2 1 -ATOM 2038 C CE1 . PHE A 1 289 ? -34.122 -19.702 -34.342 1.00 57.23 ? 267 PHE A CE1 1 -ATOM 2039 C CE2 . PHE A 1 289 ? -34.892 -20.942 -36.232 1.00 61.00 ? 267 PHE A CE2 1 -ATOM 2040 C CZ . PHE A 1 289 ? -34.460 -19.745 -35.675 1.00 51.57 ? 267 PHE A CZ 1 -ATOM 2041 N N . MET A 1 290 ? -33.140 -24.518 -30.683 1.00 45.89 ? 268 MET A N 1 -ATOM 2042 C CA . MET A 1 290 ? -33.616 -25.086 -29.422 1.00 49.75 ? 268 MET A CA 1 -ATOM 2043 C C . MET A 1 290 ? -34.442 -24.038 -28.684 1.00 53.78 ? 268 MET A C 1 -ATOM 2044 O O . MET A 1 290 ? -34.088 -22.860 -28.655 1.00 50.00 ? 268 MET A O 1 -ATOM 2045 C CB . MET A 1 290 ? -32.468 -25.567 -28.519 1.00 40.46 ? 268 MET A CB 1 -ATOM 2046 C CG . MET A 1 290 ? -31.497 -26.528 -29.193 1.00 54.65 ? 268 MET A CG 1 -ATOM 2047 S SD . MET A 1 290 ? -32.221 -28.111 -29.660 1.00 60.90 ? 268 MET A SD 1 -ATOM 2048 C CE . MET A 1 290 ? -33.210 -28.423 -28.223 1.00 52.12 ? 268 MET A CE 1 -ATOM 2049 N N . ILE A 1 291 ? -35.528 -24.499 -28.083 1.00 44.56 ? 269 ILE A N 1 -ATOM 2050 C CA . ILE A 1 291 ? -36.419 -23.695 -27.267 1.00 54.90 ? 269 ILE A CA 1 -ATOM 2051 C C . ILE A 1 291 ? -36.423 -24.271 -25.869 1.00 55.31 ? 269 ILE A C 1 -ATOM 2052 O O . ILE A 1 291 ? -36.798 -25.435 -25.689 1.00 49.99 ? 269 ILE A O 1 -ATOM 2053 C CB . ILE A 1 291 ? -37.875 -23.724 -27.823 1.00 45.50 ? 269 ILE A CB 1 -ATOM 2054 C CG1 . ILE A 1 291 ? -37.927 -23.245 -29.278 1.00 53.21 ? 269 ILE A CG1 1 -ATOM 2055 C CG2 . ILE A 1 291 ? -38.830 -22.999 -26.935 1.00 41.20 ? 269 ILE A CG2 1 -ATOM 2056 C CD1 . ILE A 1 291 ? -37.588 -21.813 -29.492 1.00 46.57 ? 269 ILE A CD1 1 -ATOM 2057 N N . THR A 1 292 ? -36.038 -23.485 -24.866 1.00 49.05 ? 270 THR A N 1 -ATOM 2058 C CA . THR A 1 292 ? -36.160 -23.993 -23.505 1.00 41.45 ? 270 THR A CA 1 -ATOM 2059 C C . THR A 1 292 ? -37.342 -23.304 -22.835 1.00 49.99 ? 270 THR A C 1 -ATOM 2060 O O . THR A 1 292 ? -37.724 -22.184 -23.215 1.00 41.52 ? 270 THR A O 1 -ATOM 2061 C CB . THR A 1 292 ? -34.868 -23.825 -22.662 1.00 54.34 ? 270 THR A CB 1 -ATOM 2062 O OG1 . THR A 1 292 ? -34.817 -22.511 -22.100 1.00 60.70 ? 270 THR A OG1 1 -ATOM 2063 C CG2 . THR A 1 292 ? -33.575 -24.113 -23.504 1.00 43.23 ? 270 THR A CG2 1 -ATOM 2064 N N . PHE A 1 293 ? -37.962 -24.030 -21.901 1.00 43.70 ? 271 PHE A N 1 -ATOM 2065 C CA . PHE A 1 293 ? -39.206 -23.638 -21.250 1.00 44.13 ? 271 PHE A CA 1 -ATOM 2066 C C . PHE A 1 293 ? -38.969 -23.270 -19.788 1.00 43.52 ? 271 PHE A C 1 -ATOM 2067 O O . PHE A 1 293 ? -37.966 -23.694 -19.210 1.00 43.53 ? 271 PHE A O 1 -ATOM 2068 C CB . PHE A 1 293 ? -40.221 -24.782 -21.372 1.00 45.59 ? 271 PHE A CB 1 -ATOM 2069 C CG . PHE A 1 293 ? -40.560 -25.123 -22.794 1.00 47.01 ? 271 PHE A CG 1 -ATOM 2070 C CD1 . PHE A 1 293 ? -41.558 -24.441 -23.473 1.00 42.99 ? 271 PHE A CD1 1 -ATOM 2071 C CD2 . PHE A 1 293 ? -39.887 -26.141 -23.452 1.00 49.27 ? 271 PHE A CD2 1 -ATOM 2072 C CE1 . PHE A 1 293 ? -41.876 -24.752 -24.784 1.00 43.52 ? 271 PHE A CE1 1 -ATOM 2073 C CE2 . PHE A 1 293 ? -40.198 -26.454 -24.776 1.00 48.41 ? 271 PHE A CE2 1 -ATOM 2074 C CZ . PHE A 1 293 ? -41.194 -25.752 -25.441 1.00 43.44 ? 271 PHE A CZ 1 -ATOM 2075 N N . PRO A 1 294 ? -39.909 -22.523 -19.169 1.00 34.14 ? 272 PRO A N 1 -ATOM 2076 C CA . PRO A 1 294 ? -39.776 -22.064 -17.788 1.00 41.96 ? 272 PRO A CA 1 -ATOM 2077 C C . PRO A 1 294 ? -39.474 -23.153 -16.794 1.00 46.25 ? 272 PRO A C 1 -ATOM 2078 O O . PRO A 1 294 ? -40.200 -24.151 -16.740 1.00 40.21 ? 272 PRO A O 1 -ATOM 2079 C CB . PRO A 1 294 ? -41.156 -21.472 -17.487 1.00 36.43 ? 272 PRO A CB 1 -ATOM 2080 C CG . PRO A 1 294 ? -41.631 -20.995 -18.755 1.00 35.91 ? 272 PRO A CG 1 -ATOM 2081 C CD . PRO A 1 294 ? -41.115 -21.951 -19.794 1.00 43.32 ? 272 PRO A CD 1 -ATOM 2082 N N . TYR A 1 295 ? -38.451 -22.915 -15.976 1.00 37.39 ? 273 TYR A N 1 -ATOM 2083 C CA . TYR A 1 295 ? -38.011 -23.884 -14.972 1.00 43.05 ? 273 TYR A CA 1 -ATOM 2084 C C . TYR A 1 295 ? -37.477 -25.205 -15.586 1.00 39.24 ? 273 TYR A C 1 -ATOM 2085 O O . TYR A 1 295 ? -37.302 -26.193 -14.883 1.00 39.71 ? 273 TYR A O 1 -ATOM 2086 C CB . TYR A 1 295 ? -39.146 -24.178 -13.980 1.00 40.04 ? 273 TYR A CB 1 -ATOM 2087 C CG . TYR A 1 295 ? -38.656 -24.720 -12.640 1.00 40.65 ? 273 TYR A CG 1 -ATOM 2088 C CD1 . TYR A 1 295 ? -37.716 -24.018 -11.888 1.00 36.09 ? 273 TYR A CD1 1 -ATOM 2089 C CD2 . TYR A 1 295 ? -39.147 -25.928 -12.126 1.00 41.62 ? 273 TYR A CD2 1 -ATOM 2090 C CE1 . TYR A 1 295 ? -37.256 -24.515 -10.653 1.00 34.59 ? 273 TYR A CE1 1 -ATOM 2091 C CE2 . TYR A 1 295 ? -38.700 -26.432 -10.899 1.00 39.47 ? 273 TYR A CE2 1 -ATOM 2092 C CZ . TYR A 1 295 ? -37.750 -25.712 -10.167 1.00 52.54 ? 273 TYR A CZ 1 -ATOM 2093 O OH . TYR A 1 295 ? -37.291 -26.174 -8.943 1.00 62.47 ? 273 TYR A OH 1 -ATOM 2094 N N . GLY A 1 296 ? -37.171 -25.202 -16.877 1.00 34.20 ? 274 GLY A N 1 -ATOM 2095 C CA . GLY A 1 296 ? -36.498 -26.341 -17.473 1.00 38.97 ? 274 GLY A CA 1 -ATOM 2096 C C . GLY A 1 296 ? -34.980 -26.316 -17.335 1.00 38.25 ? 274 GLY A C 1 -ATOM 2097 O O . GLY A 1 296 ? -34.273 -25.688 -18.133 1.00 38.72 ? 274 GLY A O 1 -ATOM 2098 N N . TYR A 1 297 ? -34.470 -27.010 -16.329 1.00 40.37 ? 275 TYR A N 1 -ATOM 2099 C CA . TYR A 1 297 ? -33.017 -27.151 -16.145 1.00 46.59 ? 275 TYR A CA 1 -ATOM 2100 C C . TYR A 1 297 ? -32.348 -27.795 -17.361 1.00 50.55 ? 275 TYR A C 1 -ATOM 2101 O O . TYR A 1 297 ? -32.857 -28.794 -17.889 1.00 43.09 ? 275 TYR A O 1 -ATOM 2102 C CB . TYR A 1 297 ? -32.722 -27.982 -14.892 1.00 38.39 ? 275 TYR A CB 1 -ATOM 2103 C CG . TYR A 1 297 ? -32.781 -27.178 -13.616 1.00 44.52 ? 275 TYR A CG 1 -ATOM 2104 C CD1 . TYR A 1 297 ? -31.739 -26.321 -13.278 1.00 43.31 ? 275 TYR A CD1 1 -ATOM 2105 C CD2 . TYR A 1 297 ? -33.891 -27.224 -12.781 1.00 37.29 ? 275 TYR A CD2 1 -ATOM 2106 C CE1 . TYR A 1 297 ? -31.780 -25.546 -12.122 1.00 41.63 ? 275 TYR A CE1 1 -ATOM 2107 C CE2 . TYR A 1 297 ? -33.947 -26.448 -11.619 1.00 47.07 ? 275 TYR A CE2 1 -ATOM 2108 C CZ . TYR A 1 297 ? -32.872 -25.602 -11.303 1.00 48.41 ? 275 TYR A CZ 1 -ATOM 2109 O OH . TYR A 1 297 ? -32.858 -24.818 -10.165 1.00 42.65 ? 275 TYR A OH 1 -ATOM 2110 N N . HIS A 1 298 ? -31.240 -27.198 -17.827 1.00 40.70 ? 276 HIS A N 1 -ATOM 2111 C CA . HIS A 1 298 ? -30.494 -27.741 -18.955 1.00 40.22 ? 276 HIS A CA 1 -ATOM 2112 C C . HIS A 1 298 ? -28.985 -27.478 -18.871 1.00 46.42 ? 276 HIS A C 1 -ATOM 2113 O O . HIS A 1 298 ? -28.518 -26.644 -18.089 1.00 40.89 ? 276 HIS A O 1 -ATOM 2114 C CB . HIS A 1 298 ? -31.060 -27.218 -20.284 1.00 35.24 ? 276 HIS A CB 1 -ATOM 2115 C CG . HIS A 1 298 ? -31.128 -25.733 -20.379 1.00 44.65 ? 276 HIS A CG 1 -ATOM 2116 N ND1 . HIS A 1 298 ? -32.000 -24.985 -19.624 1.00 52.78 ? 276 HIS A ND1 1 -ATOM 2117 C CD2 . HIS A 1 298 ? -30.465 -24.853 -21.166 1.00 48.43 ? 276 HIS A CD2 1 -ATOM 2118 C CE1 . HIS A 1 298 ? -31.856 -23.704 -19.924 1.00 46.87 ? 276 HIS A CE1 1 -ATOM 2119 N NE2 . HIS A 1 298 ? -30.940 -23.599 -20.865 1.00 38.32 ? 276 HIS A NE2 1 -ATOM 2120 N N . ALA A 1 299 ? -28.232 -28.244 -19.660 1.00 49.14 ? 277 ALA A N 1 -ATOM 2121 C CA . ALA A 1 299 ? -26.767 -28.173 -19.718 1.00 44.04 ? 277 ALA A CA 1 -ATOM 2122 C C . ALA A 1 299 ? -26.325 -28.821 -21.010 1.00 49.40 ? 277 ALA A C 1 -ATOM 2123 O O . ALA A 1 299 ? -27.129 -29.419 -21.714 1.00 38.89 ? 277 ALA A O 1 -ATOM 2124 C CB . ALA A 1 299 ? -26.115 -28.867 -18.547 1.00 39.33 ? 277 ALA A CB 1 -ATOM 2125 N N . GLY A 1 300 ? -25.048 -28.684 -21.338 1.00 51.12 ? 278 GLY A N 1 -ATOM 2126 C CA . GLY A 1 300 ? -24.545 -29.341 -22.525 1.00 46.00 ? 278 GLY A CA 1 -ATOM 2127 C C . GLY A 1 300 ? -23.164 -28.887 -22.891 1.00 46.91 ? 278 GLY A C 1 -ATOM 2128 O O . GLY A 1 300 ? -22.542 -28.160 -22.128 1.00 40.62 ? 278 GLY A O 1 -ATOM 2129 N N . PHE A 1 301 ? -22.683 -29.332 -24.053 1.00 58.25 ? 279 PHE A N 1 -ATOM 2130 C CA . PHE A 1 301 ? -21.367 -28.943 -24.549 1.00 41.16 ? 279 PHE A CA 1 -ATOM 2131 C C . PHE A 1 301 ? -21.365 -28.777 -26.049 1.00 48.70 ? 279 PHE A C 1 -ATOM 2132 O O . PHE A 1 301 ? -22.199 -29.349 -26.751 1.00 46.56 ? 279 PHE A O 1 -ATOM 2133 C CB . PHE A 1 301 ? -20.315 -29.972 -24.146 1.00 43.65 ? 279 PHE A CB 1 -ATOM 2134 C CG . PHE A 1 301 ? -20.594 -31.374 -24.661 1.00 52.74 ? 279 PHE A CG 1 -ATOM 2135 C CD1 . PHE A 1 301 ? -21.428 -32.224 -23.970 1.00 52.45 ? 279 PHE A CD1 1 -ATOM 2136 C CD2 . PHE A 1 301 ? -20.017 -31.834 -25.833 1.00 55.18 ? 279 PHE A CD2 1 -ATOM 2137 C CE1 . PHE A 1 301 ? -21.682 -33.529 -24.429 1.00 57.31 ? 279 PHE A CE1 1 -ATOM 2138 C CE2 . PHE A 1 301 ? -20.264 -33.126 -26.297 1.00 52.37 ? 279 PHE A CE2 1 -ATOM 2139 C CZ . PHE A 1 301 ? -21.104 -33.975 -25.587 1.00 52.25 ? 279 PHE A CZ 1 -ATOM 2140 N N . ASN A 1 302 ? -20.387 -28.021 -26.538 1.00 46.79 ? 280 ASN A N 1 -ATOM 2141 C CA . ASN A 1 302 ? -20.173 -27.890 -27.964 1.00 49.10 ? 280 ASN A CA 1 -ATOM 2142 C C . ASN A 1 302 ? -19.244 -28.987 -28.503 1.00 59.72 ? 280 ASN A C 1 -ATOM 2143 O O . ASN A 1 302 ? -18.276 -29.353 -27.833 1.00 49.80 ? 280 ASN A O 1 -ATOM 2144 C CB . ASN A 1 302 ? -19.588 -26.530 -28.238 1.00 42.61 ? 280 ASN A CB 1 -ATOM 2145 C CG . ASN A 1 302 ? -20.542 -25.440 -27.875 1.00 51.20 ? 280 ASN A CG 1 -ATOM 2146 O OD1 . ASN A 1 302 ? -21.683 -25.467 -28.292 1.00 43.82 ? 280 ASN A OD1 1 -ATOM 2147 N ND2 . ASN A 1 302 ? -20.093 -24.486 -27.063 1.00 54.25 ? 280 ASN A ND2 1 -ATOM 2148 N N . HIS A 1 303 ? -19.527 -29.492 -29.708 1.00 54.32 ? 281 HIS A N 1 -ATOM 2149 C CA . HIS A 1 303 ? -18.699 -30.532 -30.321 1.00 50.42 ? 281 HIS A CA 1 -ATOM 2150 C C . HIS A 1 303 ? -17.424 -29.979 -30.932 1.00 58.22 ? 281 HIS A C 1 -ATOM 2151 O O . HIS A 1 303 ? -16.423 -30.678 -31.033 1.00 58.10 ? 281 HIS A O 1 -ATOM 2152 C CB . HIS A 1 303 ? -19.455 -31.279 -31.407 1.00 46.76 ? 281 HIS A CB 1 -ATOM 2153 C CG . HIS A 1 303 ? -20.540 -32.159 -30.893 1.00 47.10 ? 281 HIS A CG 1 -ATOM 2154 N ND1 . HIS A 1 303 ? -20.972 -33.276 -31.576 1.00 56.21 ? 281 HIS A ND1 1 -ATOM 2155 C CD2 . HIS A 1 303 ? -21.304 -32.075 -29.781 1.00 50.68 ? 281 HIS A CD2 1 -ATOM 2156 C CE1 . HIS A 1 303 ? -21.944 -33.856 -30.895 1.00 54.76 ? 281 HIS A CE1 1 -ATOM 2157 N NE2 . HIS A 1 303 ? -22.168 -33.145 -29.804 1.00 64.06 ? 281 HIS A NE2 1 -ATOM 2158 N N . GLY A 1 304 ? -17.468 -28.737 -31.381 1.00 52.79 ? 282 GLY A N 1 -ATOM 2159 C CA . GLY A 1 304 ? -16.295 -28.148 -31.988 1.00 48.16 ? 282 GLY A CA 1 -ATOM 2160 C C . GLY A 1 304 ? -16.594 -26.710 -32.300 1.00 60.13 ? 282 GLY A C 1 -ATOM 2161 O O . GLY A 1 304 ? -17.544 -26.134 -31.755 1.00 61.38 ? 282 GLY A O 1 -ATOM 2162 N N . PHE A 1 305 ? -15.787 -26.118 -33.171 1.00 61.93 ? 283 PHE A N 1 -ATOM 2163 C CA . PHE A 1 305 ? -15.981 -24.721 -33.484 1.00 55.83 ? 283 PHE A CA 1 -ATOM 2164 C C . PHE A 1 305 ? -17.361 -24.508 -34.056 1.00 64.11 ? 283 PHE A C 1 -ATOM 2165 O O . PHE A 1 305 ? -17.783 -25.194 -34.996 1.00 60.00 ? 283 PHE A O 1 -ATOM 2166 C CB . PHE A 1 305 ? -14.951 -24.208 -34.469 1.00 64.71 ? 283 PHE A CB 1 -ATOM 2167 C CG . PHE A 1 305 ? -15.223 -22.804 -34.930 1.00 68.93 ? 283 PHE A CG 1 -ATOM 2168 C CD1 . PHE A 1 305 ? -14.993 -21.727 -34.085 1.00 66.40 ? 283 PHE A CD1 1 -ATOM 2169 C CD2 . PHE A 1 305 ? -15.723 -22.562 -36.198 1.00 70.41 ? 283 PHE A CD2 1 -ATOM 2170 C CE1 . PHE A 1 305 ? -15.234 -20.436 -34.502 1.00 63.53 ? 283 PHE A CE1 1 -ATOM 2171 C CE2 . PHE A 1 305 ? -15.971 -21.269 -36.623 1.00 70.21 ? 283 PHE A CE2 1 -ATOM 2172 C CZ . PHE A 1 305 ? -15.723 -20.203 -35.773 1.00 68.06 ? 283 PHE A CZ 1 -ATOM 2173 N N . ASN A 1 306 ? -18.079 -23.576 -33.451 1.00 65.60 ? 284 ASN A N 1 -ATOM 2174 C CA . ASN A 1 306 ? -19.401 -23.227 -33.931 1.00 57.03 ? 284 ASN A CA 1 -ATOM 2175 C C . ASN A 1 306 ? -19.794 -21.868 -33.429 1.00 58.85 ? 284 ASN A C 1 -ATOM 2176 O O . ASN A 1 306 ? -19.025 -21.195 -32.742 1.00 60.63 ? 284 ASN A O 1 -ATOM 2177 C CB . ASN A 1 306 ? -20.456 -24.263 -33.529 1.00 54.87 ? 284 ASN A CB 1 -ATOM 2178 C CG . ASN A 1 306 ? -20.626 -24.399 -32.030 1.00 55.00 ? 284 ASN A CG 1 -ATOM 2179 O OD1 . ASN A 1 306 ? -20.160 -23.566 -31.248 1.00 56.31 ? 284 ASN A OD1 1 -ATOM 2180 N ND2 . ASN A 1 306 ? -21.378 -25.428 -31.624 1.00 52.63 ? 284 ASN A ND2 1 -ATOM 2181 N N . CYS A 1 307 ? -21.002 -21.470 -33.782 1.00 52.25 ? 285 CYS A N 1 -ATOM 2182 C CA . CYS A 1 307 ? -21.488 -20.182 -33.363 1.00 65.25 ? 285 CYS A CA 1 -ATOM 2183 C C . CYS A 1 307 ? -22.985 -20.171 -33.218 1.00 55.09 ? 285 CYS A C 1 -ATOM 2184 O O . CYS A 1 307 ? -23.688 -20.551 -34.139 1.00 49.87 ? 285 CYS A O 1 -ATOM 2185 C CB . CYS A 1 307 ? -21.074 -19.129 -34.358 1.00 60.62 ? 285 CYS A CB 1 -ATOM 2186 S SG . CYS A 1 307 ? -21.944 -17.669 -34.031 1.00 69.21 ? 285 CYS A SG 1 -ATOM 2187 N N . ALA A 1 308 ? -23.464 -19.712 -32.063 1.00 55.30 ? 286 ALA A N 1 -ATOM 2188 C CA . ALA A 1 308 ? -24.894 -19.739 -31.773 1.00 56.84 ? 286 ALA A CA 1 -ATOM 2189 C C . ALA A 1 308 ? -25.394 -18.397 -31.262 1.00 60.21 ? 286 ALA A C 1 -ATOM 2190 O O . ALA A 1 308 ? -24.682 -17.664 -30.566 1.00 63.44 ? 286 ALA A O 1 -ATOM 2191 C CB . ALA A 1 308 ? -25.219 -20.847 -30.757 1.00 54.23 ? 286 ALA A CB 1 -ATOM 2192 N N . GLU A 1 309 ? -26.634 -18.087 -31.606 1.00 56.41 ? 287 GLU A N 1 -ATOM 2193 C CA . GLU A 1 309 ? -27.278 -16.885 -31.104 1.00 63.03 ? 287 GLU A CA 1 -ATOM 2194 C C . GLU A 1 309 ? -28.424 -17.276 -30.171 1.00 56.09 ? 287 GLU A C 1 -ATOM 2195 O O . GLU A 1 309 ? -29.136 -18.260 -30.420 1.00 61.82 ? 287 GLU A O 1 -ATOM 2196 C CB . GLU A 1 309 ? -27.782 -16.030 -32.264 1.00 63.06 ? 287 GLU A CB 1 -ATOM 2197 C CG . GLU A 1 309 ? -28.081 -14.594 -31.911 1.00 62.41 ? 287 GLU A CG 1 -ATOM 2198 C CD . GLU A 1 309 ? -28.416 -13.768 -33.145 1.00 68.89 ? 287 GLU A CD 1 -ATOM 2199 O OE1 . GLU A 1 309 ? -27.802 -14.011 -34.209 1.00 73.07 ? 287 GLU A OE1 1 -ATOM 2200 O OE2 . GLU A 1 309 ? -29.289 -12.880 -33.051 1.00 69.45 ? 287 GLU A OE2 1 -ATOM 2201 N N . SER A 1 310 ? -28.598 -16.497 -29.107 1.00 53.95 ? 288 SER A N 1 -ATOM 2202 C CA . SER A 1 310 ? -29.549 -16.816 -28.043 1.00 52.56 ? 288 SER A CA 1 -ATOM 2203 C C . SER A 1 310 ? -30.176 -15.576 -27.397 1.00 59.06 ? 288 SER A C 1 -ATOM 2204 O O . SER A 1 310 ? -29.516 -14.545 -27.243 1.00 68.47 ? 288 SER A O 1 -ATOM 2205 C CB . SER A 1 310 ? -28.835 -17.649 -26.978 1.00 63.20 ? 288 SER A CB 1 -ATOM 2206 O OG . SER A 1 310 ? -29.553 -17.695 -25.762 1.00 62.04 ? 288 SER A OG 1 -ATOM 2207 N N . THR A 1 311 ? -31.448 -15.673 -27.022 1.00 49.30 ? 289 THR A N 1 -ATOM 2208 C CA . THR A 1 311 ? -32.096 -14.649 -26.201 1.00 53.84 ? 289 THR A CA 1 -ATOM 2209 C C . THR A 1 311 ? -33.185 -15.305 -25.345 1.00 56.65 ? 289 THR A C 1 -ATOM 2210 O O . THR A 1 311 ? -33.560 -16.450 -25.605 1.00 56.30 ? 289 THR A O 1 -ATOM 2211 C CB . THR A 1 311 ? -32.699 -13.492 -27.087 1.00 57.23 ? 289 THR A CB 1 -ATOM 2212 O OG1 . THR A 1 311 ? -33.027 -12.355 -26.278 1.00 56.77 ? 289 THR A OG1 1 -ATOM 2213 C CG2 . THR A 1 311 ? -33.951 -13.937 -27.850 1.00 56.51 ? 289 THR A CG2 1 -ATOM 2214 N N . ASN A 1 312 ? -33.671 -14.608 -24.316 1.00 55.01 ? 290 ASN A N 1 -ATOM 2215 C CA . ASN A 1 312 ? -34.869 -15.047 -23.585 1.00 46.95 ? 290 ASN A CA 1 -ATOM 2216 C C . ASN A 1 312 ? -36.154 -14.482 -24.222 1.00 52.99 ? 290 ASN A C 1 -ATOM 2217 O O . ASN A 1 312 ? -36.081 -13.584 -25.071 1.00 44.93 ? 290 ASN A O 1 -ATOM 2218 C CB . ASN A 1 312 ? -34.800 -14.654 -22.106 1.00 37.75 ? 290 ASN A CB 1 -ATOM 2219 C CG . ASN A 1 312 ? -33.667 -15.366 -21.351 1.00 55.61 ? 290 ASN A CG 1 -ATOM 2220 O OD1 . ASN A 1 312 ? -32.695 -14.737 -20.940 1.00 56.71 ? 290 ASN A OD1 1 -ATOM 2221 N ND2 . ASN A 1 312 ? -33.795 -16.676 -21.163 1.00 37.77 ? 290 ASN A ND2 1 -ATOM 2222 N N . PHE A 1 313 ? -37.310 -15.035 -23.827 1.00 40.74 ? 291 PHE A N 1 -ATOM 2223 C CA . PHE A 1 313 ? -38.625 -14.533 -24.222 1.00 41.67 ? 291 PHE A CA 1 -ATOM 2224 C C . PHE A 1 313 ? -39.653 -15.068 -23.241 1.00 45.36 ? 291 PHE A C 1 -ATOM 2225 O O . PHE A 1 313 ? -39.334 -15.846 -22.338 1.00 41.29 ? 291 PHE A O 1 -ATOM 2226 C CB . PHE A 1 313 ? -39.002 -14.906 -25.667 1.00 45.56 ? 291 PHE A CB 1 -ATOM 2227 C CG . PHE A 1 313 ? -39.284 -16.392 -25.898 1.00 45.20 ? 291 PHE A CG 1 -ATOM 2228 C CD1 . PHE A 1 313 ? -38.279 -17.253 -26.277 1.00 41.88 ? 291 PHE A CD1 1 -ATOM 2229 C CD2 . PHE A 1 313 ? -40.564 -16.899 -25.783 1.00 46.52 ? 291 PHE A CD2 1 -ATOM 2230 C CE1 . PHE A 1 313 ? -38.538 -18.593 -26.516 1.00 49.65 ? 291 PHE A CE1 1 -ATOM 2231 C CE2 . PHE A 1 313 ? -40.828 -18.245 -26.013 1.00 46.01 ? 291 PHE A CE2 1 -ATOM 2232 C CZ . PHE A 1 313 ? -39.818 -19.084 -26.382 1.00 48.28 ? 291 PHE A CZ 1 -ATOM 2233 N N . ALA A 1 314 ? -40.902 -14.672 -23.416 1.00 37.83 ? 292 ALA A N 1 -ATOM 2234 C CA . ALA A 1 314 ? -41.889 -14.975 -22.394 1.00 34.67 ? 292 ALA A CA 1 -ATOM 2235 C C . ALA A 1 314 ? -43.236 -15.249 -23.039 1.00 37.97 ? 292 ALA A C 1 -ATOM 2236 O O . ALA A 1 314 ? -43.430 -14.947 -24.218 1.00 43.74 ? 292 ALA A O 1 -ATOM 2237 C CB . ALA A 1 314 ? -41.987 -13.794 -21.389 1.00 36.24 ? 292 ALA A CB 1 -ATOM 2238 N N . THR A 1 315 ? -44.154 -15.861 -22.287 1.00 43.94 ? 293 THR A N 1 -ATOM 2239 C CA . THR A 1 315 ? -45.579 -15.966 -22.689 1.00 37.34 ? 293 THR A CA 1 -ATOM 2240 C C . THR A 1 315 ? -46.426 -15.724 -21.455 1.00 39.85 ? 293 THR A C 1 -ATOM 2241 O O . THR A 1 315 ? -45.871 -15.560 -20.367 1.00 48.24 ? 293 THR A O 1 -ATOM 2242 C CB . THR A 1 315 ? -45.926 -17.337 -23.291 1.00 46.43 ? 293 THR A CB 1 -ATOM 2243 O OG1 . THR A 1 315 ? -45.810 -18.320 -22.262 1.00 38.40 ? 293 THR A OG1 1 -ATOM 2244 C CG2 . THR A 1 315 ? -44.972 -17.697 -24.396 1.00 41.03 ? 293 THR A CG2 1 -ATOM 2245 N N . ARG A 1 316 ? -47.753 -15.760 -21.585 1.00 51.84 ? 294 ARG A N 1 -ATOM 2246 C CA . ARG A 1 316 ? -48.612 -15.452 -20.433 1.00 46.80 ? 294 ARG A CA 1 -ATOM 2247 C C . ARG A 1 316 ? -48.394 -16.485 -19.337 1.00 46.58 ? 294 ARG A C 1 -ATOM 2248 O O . ARG A 1 316 ? -48.434 -16.152 -18.138 1.00 41.07 ? 294 ARG A O 1 -ATOM 2249 C CB . ARG A 1 316 ? -50.095 -15.386 -20.832 1.00 53.00 ? 294 ARG A CB 1 -ATOM 2250 C CG . ARG A 1 316 ? -50.369 -14.381 -21.949 1.00 53.73 ? 294 ARG A CG 1 -ATOM 2251 C CD . ARG A 1 316 ? -51.751 -13.706 -21.884 1.00 61.14 ? 294 ARG A CD 1 -ATOM 2252 N NE . ARG A 1 316 ? -52.888 -14.623 -21.829 1.00 84.74 ? 294 ARG A NE 1 -ATOM 2253 C CZ . ARG A 1 316 ? -53.661 -14.798 -20.755 1.00 91.46 ? 294 ARG A CZ 1 -ATOM 2254 N NH1 . ARG A 1 316 ? -53.414 -14.117 -19.637 1.00 76.96 ? 294 ARG A NH1 1 -ATOM 2255 N NH2 . ARG A 1 316 ? -54.684 -15.652 -20.794 1.00 79.67 ? 294 ARG A NH2 1 -ATOM 2256 N N . ARG A 1 317 ? -48.158 -17.733 -19.748 1.00 48.10 ? 295 ARG A N 1 -ATOM 2257 C CA . ARG A 1 317 ? -47.827 -18.812 -18.809 1.00 46.71 ? 295 ARG A CA 1 -ATOM 2258 C C . ARG A 1 317 ? -46.566 -18.515 -18.000 1.00 34.54 ? 295 ARG A C 1 -ATOM 2259 O O . ARG A 1 317 ? -46.466 -18.886 -16.843 1.00 35.54 ? 295 ARG A O 1 -ATOM 2260 C CB . ARG A 1 317 ? -47.647 -20.142 -19.563 1.00 49.88 ? 295 ARG A CB 1 -ATOM 2261 C CG . ARG A 1 317 ? -47.641 -21.376 -18.664 1.00 46.66 ? 295 ARG A CG 1 -ATOM 2262 C CD . ARG A 1 317 ? -47.704 -22.701 -19.452 1.00 50.68 ? 295 ARG A CD 1 -ATOM 2263 N NE . ARG A 1 317 ? -46.458 -23.011 -20.125 1.00 49.60 ? 295 ARG A NE 1 -ATOM 2264 C CZ . ARG A 1 317 ? -45.451 -23.635 -19.530 1.00 43.44 ? 295 ARG A CZ 1 -ATOM 2265 N NH1 . ARG A 1 317 ? -45.559 -23.984 -18.264 1.00 48.12 ? 295 ARG A NH1 1 -ATOM 2266 N NH2 . ARG A 1 317 ? -44.322 -23.857 -20.181 1.00 44.88 ? 295 ARG A NH2 1 -ATOM 2267 N N . TRP A 1 318 ? -45.594 -17.835 -18.593 1.00 42.77 ? 296 TRP A N 1 -ATOM 2268 C CA . TRP A 1 318 ? -44.371 -17.548 -17.835 1.00 39.83 ? 296 TRP A CA 1 -ATOM 2269 C C . TRP A 1 318 ? -44.612 -16.770 -16.557 1.00 36.19 ? 296 TRP A C 1 -ATOM 2270 O O . TRP A 1 318 ? -43.931 -16.977 -15.555 1.00 40.92 ? 296 TRP A O 1 -ATOM 2271 C CB . TRP A 1 318 ? -43.377 -16.766 -18.678 1.00 45.48 ? 296 TRP A CB 1 -ATOM 2272 C CG . TRP A 1 318 ? -42.317 -16.155 -17.840 1.00 41.55 ? 296 TRP A CG 1 -ATOM 2273 C CD1 . TRP A 1 318 ? -41.271 -16.799 -17.235 1.00 44.92 ? 296 TRP A CD1 1 -ATOM 2274 C CD2 . TRP A 1 318 ? -42.226 -14.785 -17.455 1.00 41.45 ? 296 TRP A CD2 1 -ATOM 2275 N NE1 . TRP A 1 318 ? -40.522 -15.902 -16.515 1.00 51.68 ? 296 TRP A NE1 1 -ATOM 2276 C CE2 . TRP A 1 318 ? -41.084 -14.655 -16.638 1.00 55.93 ? 296 TRP A CE2 1 -ATOM 2277 C CE3 . TRP A 1 318 ? -42.985 -13.649 -17.736 1.00 56.16 ? 296 TRP A CE3 1 -ATOM 2278 C CZ2 . TRP A 1 318 ? -40.681 -13.430 -16.099 1.00 44.81 ? 296 TRP A CZ2 1 -ATOM 2279 C CZ3 . TRP A 1 318 ? -42.576 -12.423 -17.205 1.00 56.29 ? 296 TRP A CZ3 1 -ATOM 2280 C CH2 . TRP A 1 318 ? -41.438 -12.330 -16.401 1.00 50.62 ? 296 TRP A CH2 1 -ATOM 2281 N N . ILE A 1 319 ? -45.586 -15.869 -16.586 1.00 42.02 ? 297 ILE A N 1 -ATOM 2282 C CA . ILE A 1 319 ? -45.748 -14.877 -15.518 1.00 36.71 ? 297 ILE A CA 1 -ATOM 2283 C C . ILE A 1 319 ? -45.750 -15.458 -14.098 1.00 39.88 ? 297 ILE A C 1 -ATOM 2284 O O . ILE A 1 319 ? -45.096 -14.927 -13.195 1.00 46.59 ? 297 ILE A O 1 -ATOM 2285 C CB . ILE A 1 319 ? -47.049 -14.073 -15.755 1.00 51.43 ? 297 ILE A CB 1 -ATOM 2286 C CG1 . ILE A 1 319 ? -46.882 -13.217 -17.018 1.00 39.25 ? 297 ILE A CG1 1 -ATOM 2287 C CG2 . ILE A 1 319 ? -47.391 -13.234 -14.535 1.00 44.76 ? 297 ILE A CG2 1 -ATOM 2288 C CD1 . ILE A 1 319 ? -48.051 -12.340 -17.328 1.00 53.47 ? 297 ILE A CD1 1 -ATOM 2289 N N . GLU A 1 320 ? -46.500 -16.531 -13.883 1.00 37.95 ? 298 GLU A N 1 -ATOM 2290 C CA . GLU A 1 320 ? -46.569 -17.114 -12.545 1.00 43.29 ? 298 GLU A CA 1 -ATOM 2291 C C . GLU A 1 320 ? -45.209 -17.689 -12.127 1.00 42.38 ? 298 GLU A C 1 -ATOM 2292 O O . GLU A 1 320 ? -44.839 -17.692 -10.953 1.00 45.20 ? 298 GLU A O 1 -ATOM 2293 C CB . GLU A 1 320 ? -47.665 -18.187 -12.480 1.00 45.94 ? 298 GLU A CB 1 -ATOM 2294 C CG . GLU A 1 320 ? -48.042 -18.530 -11.041 1.00 50.50 ? 298 GLU A CG 1 -ATOM 2295 C CD . GLU A 1 320 ? -48.643 -17.328 -10.291 1.00 69.85 ? 298 GLU A CD 1 -ATOM 2296 O OE1 . GLU A 1 320 ? -49.526 -16.645 -10.872 1.00 65.57 ? 298 GLU A OE1 1 -ATOM 2297 O OE2 . GLU A 1 320 ? -48.246 -17.071 -9.118 1.00 64.95 ? 298 GLU A OE2 1 -ATOM 2298 N N . TYR A 1 321 ? -44.479 -18.207 -13.101 1.00 35.38 ? 299 TYR A N 1 -ATOM 2299 C CA . TYR A 1 321 ? -43.127 -18.637 -12.844 1.00 53.10 ? 299 TYR A CA 1 -ATOM 2300 C C . TYR A 1 321 ? -42.333 -17.397 -12.431 1.00 48.12 ? 299 TYR A C 1 -ATOM 2301 O O . TYR A 1 321 ? -41.566 -17.426 -11.466 1.00 47.70 ? 299 TYR A O 1 -ATOM 2302 C CB . TYR A 1 321 ? -42.526 -19.303 -14.088 1.00 34.44 ? 299 TYR A CB 1 -ATOM 2303 C CG . TYR A 1 321 ? -43.072 -20.669 -14.384 1.00 39.64 ? 299 TYR A CG 1 -ATOM 2304 C CD1 . TYR A 1 321 ? -44.197 -20.839 -15.177 1.00 49.88 ? 299 TYR A CD1 1 -ATOM 2305 C CD2 . TYR A 1 321 ? -42.443 -21.801 -13.887 1.00 49.85 ? 299 TYR A CD2 1 -ATOM 2306 C CE1 . TYR A 1 321 ? -44.690 -22.120 -15.458 1.00 45.94 ? 299 TYR A CE1 1 -ATOM 2307 C CE2 . TYR A 1 321 ? -42.910 -23.072 -14.172 1.00 51.22 ? 299 TYR A CE2 1 -ATOM 2308 C CZ . TYR A 1 321 ? -44.031 -23.227 -14.952 1.00 52.63 ? 299 TYR A CZ 1 -ATOM 2309 O OH . TYR A 1 321 ? -44.483 -24.501 -15.213 1.00 67.36 ? 299 TYR A OH 1 -ATOM 2310 N N . GLY A 1 322 ? -42.576 -16.295 -13.141 1.00 37.67 ? 300 GLY A N 1 -ATOM 2311 C CA . GLY A 1 322 ? -41.847 -15.062 -12.886 1.00 52.35 ? 300 GLY A CA 1 -ATOM 2312 C C . GLY A 1 322 ? -41.989 -14.649 -11.445 1.00 57.24 ? 300 GLY A C 1 -ATOM 2313 O O . GLY A 1 322 ? -40.995 -14.288 -10.797 1.00 43.07 ? 300 GLY A O 1 -ATOM 2314 N N . LYS A 1 323 ? -43.222 -14.768 -10.939 1.00 51.20 ? 301 LYS A N 1 -ATOM 2315 C CA . LYS A 1 323 ? -43.571 -14.356 -9.576 1.00 43.90 ? 301 LYS A CA 1 -ATOM 2316 C C . LYS A 1 323 ? -42.969 -15.227 -8.483 1.00 42.84 ? 301 LYS A C 1 -ATOM 2317 O O . LYS A 1 323 ? -42.770 -14.766 -7.358 1.00 50.37 ? 301 LYS A O 1 -ATOM 2318 C CB . LYS A 1 323 ? -45.090 -14.331 -9.419 1.00 53.87 ? 301 LYS A CB 1 -ATOM 2319 C CG . LYS A 1 323 ? -45.764 -13.243 -10.241 1.00 48.25 ? 301 LYS A CG 1 -ATOM 2320 C CD . LYS A 1 323 ? -47.229 -13.575 -10.535 1.00 48.61 ? 301 LYS A CD 1 -ATOM 2321 C CE . LYS A 1 323 ? -48.034 -13.737 -9.270 1.00 51.70 ? 301 LYS A CE 1 -ATOM 2322 N NZ . LYS A 1 323 ? -49.463 -14.011 -9.592 1.00 66.25 ? 301 LYS A NZ 1 -ATOM 2323 N N . GLN A 1 324 ? -42.727 -16.499 -8.783 1.00 52.82 ? 302 GLN A N 1 -ATOM 2324 C CA . GLN A 1 324 ? -42.298 -17.423 -7.736 1.00 50.89 ? 302 GLN A CA 1 -ATOM 2325 C C . GLN A 1 324 ? -40.836 -17.808 -7.841 1.00 48.49 ? 302 GLN A C 1 -ATOM 2326 O O . GLN A 1 324 ? -40.304 -18.501 -6.961 1.00 51.34 ? 302 GLN A O 1 -ATOM 2327 C CB . GLN A 1 324 ? -43.154 -18.680 -7.768 1.00 54.02 ? 302 GLN A CB 1 -ATOM 2328 C CG . GLN A 1 324 ? -44.635 -18.385 -7.762 1.00 57.75 ? 302 GLN A CG 1 -ATOM 2329 C CD . GLN A 1 324 ? -45.476 -19.639 -7.688 1.00 62.21 ? 302 GLN A CD 1 -ATOM 2330 O OE1 . GLN A 1 324 ? -44.962 -20.735 -7.461 1.00 71.05 ? 302 GLN A OE1 1 -ATOM 2331 N NE2 . GLN A 1 324 ? -46.781 -19.488 -7.908 1.00 67.64 ? 302 GLN A NE2 1 -ATOM 2332 N N . ALA A 1 325 ? -40.188 -17.385 -8.919 1.00 48.18 ? 303 ALA A N 1 -ATOM 2333 C CA . ALA A 1 325 ? -38.792 -17.776 -9.138 1.00 54.80 ? 303 ALA A CA 1 -ATOM 2334 C C . ALA A 1 325 ? -37.941 -17.389 -7.935 1.00 43.24 ? 303 ALA A C 1 -ATOM 2335 O O . ALA A 1 325 ? -38.100 -16.314 -7.375 1.00 56.37 ? 303 ALA A O 1 -ATOM 2336 C CB . ALA A 1 325 ? -38.248 -17.141 -10.398 1.00 42.97 ? 303 ALA A CB 1 -ATOM 2337 N N . VAL A 1 326 ? -37.104 -18.315 -7.489 1.00 60.39 ? 304 VAL A N 1 -ATOM 2338 C CA . VAL A 1 326 ? -36.152 -18.044 -6.422 1.00 47.10 ? 304 VAL A CA 1 -ATOM 2339 C C . VAL A 1 326 ? -34.856 -17.544 -7.072 1.00 59.79 ? 304 VAL A C 1 -ATOM 2340 O O . VAL A 1 326 ? -34.311 -18.194 -7.973 1.00 61.54 ? 304 VAL A O 1 -ATOM 2341 C CB . VAL A 1 326 ? -35.903 -19.307 -5.554 1.00 60.21 ? 304 VAL A CB 1 -ATOM 2342 C CG1 . VAL A 1 326 ? -35.063 -18.979 -4.326 1.00 61.35 ? 304 VAL A CG1 1 -ATOM 2343 C CG2 . VAL A 1 326 ? -37.231 -19.931 -5.149 1.00 46.82 ? 304 VAL A CG2 1 -ATOM 2344 N N . LEU A 1 327 ? -34.378 -16.380 -6.642 1.00 60.07 ? 305 LEU A N 1 -ATOM 2345 C CA . LEU A 1 327 ? -33.197 -15.773 -7.263 1.00 55.98 ? 305 LEU A CA 1 -ATOM 2346 C C . LEU A 1 327 ? -31.963 -15.842 -6.374 1.00 51.26 ? 305 LEU A C 1 -ATOM 2347 O O . LEU A 1 327 ? -32.050 -16.098 -5.163 1.00 46.28 ? 305 LEU A O 1 -ATOM 2348 C CB . LEU A 1 327 ? -33.475 -14.314 -7.637 1.00 49.91 ? 305 LEU A CB 1 -ATOM 2349 C CG . LEU A 1 327 ? -34.694 -14.137 -8.541 1.00 63.56 ? 305 LEU A CG 1 -ATOM 2350 C CD1 . LEU A 1 327 ? -34.912 -12.671 -8.809 1.00 52.61 ? 305 LEU A CD1 1 -ATOM 2351 C CD2 . LEU A 1 327 ? -34.580 -14.945 -9.851 1.00 55.92 ? 305 LEU A CD2 1 -ATOM 2352 N N . CYS A 1 328 ? -30.809 -15.620 -7.000 1.00 66.82 ? 306 CYS A N 1 -ATOM 2353 C CA . CYS A 1 328 ? -29.535 -15.593 -6.293 1.00 62.71 ? 306 CYS A CA 1 -ATOM 2354 C C . CYS A 1 328 ? -29.593 -14.565 -5.165 1.00 62.98 ? 306 CYS A C 1 -ATOM 2355 O O . CYS A 1 328 ? -30.077 -13.439 -5.357 1.00 50.20 ? 306 CYS A O 1 -ATOM 2356 C CB . CYS A 1 328 ? -28.410 -15.276 -7.272 1.00 60.03 ? 306 CYS A CB 1 -ATOM 2357 S SG . CYS A 1 328 ? -26.782 -15.149 -6.546 1.00 56.91 ? 306 CYS A SG 1 -ATOM 2358 N N . SER A 1 329 ? -29.111 -14.961 -3.991 1.00 52.52 ? 307 SER A N 1 -ATOM 2359 C CA . SER A 1 329 ? -29.217 -14.123 -2.798 1.00 58.15 ? 307 SER A CA 1 -ATOM 2360 C C . SER A 1 329 ? -27.884 -13.542 -2.304 1.00 59.02 ? 307 SER A C 1 -ATOM 2361 O O . SER A 1 329 ? -27.856 -12.873 -1.282 1.00 52.16 ? 307 SER A O 1 -ATOM 2362 C CB . SER A 1 329 ? -29.832 -14.931 -1.659 1.00 61.67 ? 307 SER A CB 1 -ATOM 2363 O OG . SER A 1 329 ? -28.911 -15.920 -1.219 1.00 66.56 ? 307 SER A OG 1 -ATOM 2364 N N . CYS A 1 330 ? -26.785 -13.786 -3.016 1.00 61.29 ? 308 CYS A N 1 -ATOM 2365 C CA . CYS A 1 330 ? -25.475 -13.516 -2.434 1.00 60.76 ? 308 CYS A CA 1 -ATOM 2366 C C . CYS A 1 330 ? -24.590 -12.584 -3.245 1.00 62.26 ? 308 CYS A C 1 -ATOM 2367 O O . CYS A 1 330 ? -23.457 -12.314 -2.847 1.00 72.41 ? 308 CYS A O 1 -ATOM 2368 C CB . CYS A 1 330 ? -24.712 -14.830 -2.251 1.00 63.65 ? 308 CYS A CB 1 -ATOM 2369 S SG . CYS A 1 330 ? -24.057 -15.493 -3.812 1.00 56.53 ? 308 CYS A SG 1 -ATOM 2370 N N . ARG A 1 331 ? -25.067 -12.133 -4.398 1.00 68.89 ? 309 ARG A N 1 -ATOM 2371 C CA . ARG A 1 331 ? -24.305 -11.176 -5.187 1.00 70.72 ? 309 ARG A CA 1 -ATOM 2372 C C . ARG A 1 331 ? -25.210 -10.161 -5.871 1.00 81.10 ? 309 ARG A C 1 -ATOM 2373 O O . ARG A 1 331 ? -26.404 -10.401 -6.056 1.00 81.95 ? 309 ARG A O 1 -ATOM 2374 C CB . ARG A 1 331 ? -23.426 -11.892 -6.215 1.00 73.19 ? 309 ARG A CB 1 -ATOM 2375 C CG . ARG A 1 331 ? -24.144 -12.839 -7.141 1.00 73.86 ? 309 ARG A CG 1 -ATOM 2376 C CD . ARG A 1 331 ? -23.147 -13.670 -7.940 1.00 67.24 ? 309 ARG A CD 1 -ATOM 2377 N NE . ARG A 1 331 ? -22.288 -14.447 -7.046 1.00 81.20 ? 309 ARG A NE 1 -ATOM 2378 C CZ . ARG A 1 331 ? -21.638 -15.562 -7.381 1.00 74.47 ? 309 ARG A CZ 1 -ATOM 2379 N NH1 . ARG A 1 331 ? -21.741 -16.067 -8.608 1.00 68.50 ? 309 ARG A NH1 1 -ATOM 2380 N NH2 . ARG A 1 331 ? -20.879 -16.174 -6.477 1.00 71.03 ? 309 ARG A NH2 1 -ATOM 2381 N N . LYS A 1 332 ? -24.632 -9.014 -6.213 1.00 92.39 ? 310 LYS A N 1 -ATOM 2382 C CA . LYS A 1 332 ? -25.344 -7.962 -6.924 1.00 89.15 ? 310 LYS A CA 1 -ATOM 2383 C C . LYS A 1 332 ? -25.205 -8.240 -8.427 1.00 90.36 ? 310 LYS A C 1 -ATOM 2384 O O . LYS A 1 332 ? -24.660 -9.278 -8.817 1.00 95.39 ? 310 LYS A O 1 -ATOM 2385 C CB . LYS A 1 332 ? -24.800 -6.583 -6.548 1.00 81.17 ? 310 LYS A CB 1 -ATOM 2386 N N . ASP A 1 333 ? -25.668 -7.305 -9.254 1.00 91.94 ? 311 ASP A N 1 -ATOM 2387 C CA . ASP A 1 333 ? -25.715 -7.459 -10.715 1.00 93.26 ? 311 ASP A CA 1 -ATOM 2388 C C . ASP A 1 333 ? -26.250 -8.836 -11.137 1.00 97.74 ? 311 ASP A C 1 -ATOM 2389 O O . ASP A 1 333 ? -25.723 -9.478 -12.054 1.00 98.85 ? 311 ASP A O 1 -ATOM 2390 C CB . ASP A 1 333 ? -24.330 -7.226 -11.326 1.00 77.69 ? 311 ASP A CB 1 -ATOM 2391 N N . MET A 1 334 ? -27.312 -9.272 -10.467 1.00 85.11 ? 312 MET A N 1 -ATOM 2392 C CA . MET A 1 334 ? -27.992 -10.498 -10.837 1.00 81.92 ? 312 MET A CA 1 -ATOM 2393 C C . MET A 1 334 ? -29.264 -10.087 -11.563 1.00 81.20 ? 312 MET A C 1 -ATOM 2394 O O . MET A 1 334 ? -29.923 -9.119 -11.159 1.00 71.73 ? 312 MET A O 1 -ATOM 2395 C CB . MET A 1 334 ? -28.304 -11.353 -9.613 1.00 78.38 ? 312 MET A CB 1 -ATOM 2396 C CG . MET A 1 334 ? -27.077 -12.023 -9.028 1.00 86.96 ? 312 MET A CG 1 -ATOM 2397 S SD . MET A 1 334 ? -25.790 -12.394 -10.247 1.00 111.97 ? 312 MET A SD 1 -ATOM 2398 C CE . MET A 1 334 ? -25.907 -14.184 -10.361 1.00 68.79 ? 312 MET A CE 1 -ATOM 2399 N N . VAL A 1 335 ? -29.614 -10.810 -12.624 1.00 72.93 ? 313 VAL A N 1 -ATOM 2400 C CA . VAL A 1 335 ? -30.792 -10.462 -13.400 1.00 64.04 ? 313 VAL A CA 1 -ATOM 2401 C C . VAL A 1 335 ? -32.023 -10.632 -12.516 1.00 65.49 ? 313 VAL A C 1 -ATOM 2402 O O . VAL A 1 335 ? -32.363 -11.746 -12.123 1.00 67.41 ? 313 VAL A O 1 -ATOM 2403 C CB . VAL A 1 335 ? -30.916 -11.317 -14.676 1.00 58.24 ? 313 VAL A CB 1 -ATOM 2404 N N . LYS A 1 336 ? -32.634 -9.498 -12.160 1.00 66.06 ? 314 LYS A N 1 -ATOM 2405 C CA . LYS A 1 336 ? -33.895 -9.437 -11.427 1.00 60.28 ? 314 LYS A CA 1 -ATOM 2406 C C . LYS A 1 336 ? -34.859 -8.569 -12.206 1.00 64.92 ? 314 LYS A C 1 -ATOM 2407 O O . LYS A 1 336 ? -34.490 -7.499 -12.659 1.00 69.11 ? 314 LYS A O 1 -ATOM 2408 C CB . LYS A 1 336 ? -33.673 -8.874 -10.019 1.00 65.62 ? 314 LYS A CB 1 -ATOM 2409 C CG . LYS A 1 336 ? -34.875 -8.209 -9.348 1.00 59.24 ? 314 LYS A CG 1 -ATOM 2410 C CD . LYS A 1 336 ? -35.922 -9.210 -8.880 1.00 70.67 ? 314 LYS A CD 1 -ATOM 2411 C CE . LYS A 1 336 ? -36.929 -8.561 -7.918 1.00 80.53 ? 314 LYS A CE 1 -ATOM 2412 N NZ . LYS A 1 336 ? -38.114 -7.929 -8.602 1.00 82.09 ? 314 LYS A NZ 1 -ATOM 2413 N N . ILE A 1 337 ? -36.095 -9.028 -12.363 1.00 63.91 ? 315 ILE A N 1 -ATOM 2414 C CA . ILE A 1 337 ? -37.094 -8.299 -13.134 1.00 48.14 ? 315 ILE A CA 1 -ATOM 2415 C C . ILE A 1 337 ? -38.302 -8.045 -12.250 1.00 63.66 ? 315 ILE A C 1 -ATOM 2416 O O . ILE A 1 337 ? -38.766 -8.954 -11.537 1.00 63.66 ? 315 ILE A O 1 -ATOM 2417 C CB . ILE A 1 337 ? -37.503 -9.076 -14.414 1.00 64.99 ? 315 ILE A CB 1 -ATOM 2418 C CG1 . ILE A 1 337 ? -36.380 -9.004 -15.451 1.00 55.76 ? 315 ILE A CG1 1 -ATOM 2419 C CG2 . ILE A 1 337 ? -38.819 -8.545 -15.007 1.00 53.41 ? 315 ILE A CG2 1 -ATOM 2420 C CD1 . ILE A 1 337 ? -36.654 -9.797 -16.691 1.00 49.80 ? 315 ILE A CD1 1 -ATOM 2421 N N . SER A 1 338 ? -38.765 -6.797 -12.258 1.00 40.78 ? 316 SER A N 1 -ATOM 2422 C CA . SER A 1 338 ? -39.958 -6.397 -11.520 1.00 53.15 ? 316 SER A CA 1 -ATOM 2423 C C . SER A 1 338 ? -41.187 -7.002 -12.179 1.00 44.34 ? 316 SER A C 1 -ATOM 2424 O O . SER A 1 338 ? -41.468 -6.721 -13.346 1.00 45.12 ? 316 SER A O 1 -ATOM 2425 C CB . SER A 1 338 ? -40.089 -4.861 -11.465 1.00 54.98 ? 316 SER A CB 1 -ATOM 2426 O OG . SER A 1 338 ? -41.224 -4.482 -10.682 1.00 61.13 ? 316 SER A OG 1 -ATOM 2427 N N . MET A 1 339 ? -41.930 -7.813 -11.438 1.00 42.24 ? 317 MET A N 1 -ATOM 2428 C CA . MET A 1 339 ? -43.121 -8.446 -12.018 1.00 50.66 ? 317 MET A CA 1 -ATOM 2429 C C . MET A 1 339 ? -44.368 -7.537 -11.958 1.00 49.12 ? 317 MET A C 1 -ATOM 2430 O O . MET A 1 339 ? -45.419 -7.889 -12.484 1.00 44.76 ? 317 MET A O 1 -ATOM 2431 C CB . MET A 1 339 ? -43.406 -9.768 -11.312 1.00 43.40 ? 317 MET A CB 1 -ATOM 2432 C CG . MET A 1 339 ? -42.273 -10.813 -11.447 1.00 50.26 ? 317 MET A CG 1 -ATOM 2433 S SD . MET A 1 339 ? -41.903 -11.208 -13.158 1.00 49.33 ? 317 MET A SD 1 -ATOM 2434 C CE . MET A 1 339 ? -43.439 -12.053 -13.641 1.00 43.75 ? 317 MET A CE 1 -ATOM 2435 N N . ASP A 1 340 ? -44.264 -6.396 -11.278 1.00 54.75 ? 318 ASP A N 1 -ATOM 2436 C CA . ASP A 1 340 ? -45.436 -5.532 -11.028 1.00 50.30 ? 318 ASP A CA 1 -ATOM 2437 C C . ASP A 1 340 ? -46.228 -5.226 -12.308 1.00 44.97 ? 318 ASP A C 1 -ATOM 2438 O O . ASP A 1 340 ? -47.427 -5.490 -12.384 1.00 55.42 ? 318 ASP A O 1 -ATOM 2439 C CB . ASP A 1 340 ? -45.002 -4.230 -10.368 1.00 60.16 ? 318 ASP A CB 1 -ATOM 2440 C CG . ASP A 1 340 ? -46.096 -3.622 -9.536 1.00 74.00 ? 318 ASP A CG 1 -ATOM 2441 O OD1 . ASP A 1 340 ? -46.930 -2.878 -10.101 1.00 73.50 ? 318 ASP A OD1 1 -ATOM 2442 O OD2 . ASP A 1 340 ? -46.118 -3.895 -8.312 1.00 76.03 ? 318 ASP A OD2 1 -ATOM 2443 N N . VAL A 1 341 ? -45.545 -4.713 -13.326 1.00 52.18 ? 319 VAL A N 1 -ATOM 2444 C CA . VAL A 1 341 ? -46.169 -4.416 -14.614 1.00 48.40 ? 319 VAL A CA 1 -ATOM 2445 C C . VAL A 1 341 ? -46.907 -5.619 -15.228 1.00 54.57 ? 319 VAL A C 1 -ATOM 2446 O O . VAL A 1 341 ? -47.998 -5.474 -15.768 1.00 54.41 ? 319 VAL A O 1 -ATOM 2447 C CB . VAL A 1 341 ? -45.112 -3.879 -15.631 1.00 51.29 ? 319 VAL A CB 1 -ATOM 2448 C CG1 . VAL A 1 341 ? -44.114 -4.973 -16.037 1.00 57.99 ? 319 VAL A CG1 1 -ATOM 2449 C CG2 . VAL A 1 341 ? -45.791 -3.339 -16.867 1.00 58.86 ? 319 VAL A CG2 1 -ATOM 2450 N N . PHE A 1 342 ? -46.325 -6.809 -15.133 1.00 53.66 ? 320 PHE A N 1 -ATOM 2451 C CA . PHE A 1 342 ? -46.930 -7.989 -15.741 1.00 45.79 ? 320 PHE A CA 1 -ATOM 2452 C C . PHE A 1 342 ? -48.203 -8.411 -15.026 1.00 41.85 ? 320 PHE A C 1 -ATOM 2453 O O . PHE A 1 342 ? -49.175 -8.802 -15.664 1.00 47.22 ? 320 PHE A O 1 -ATOM 2454 C CB . PHE A 1 342 ? -45.939 -9.163 -15.763 1.00 46.96 ? 320 PHE A CB 1 -ATOM 2455 C CG . PHE A 1 342 ? -44.825 -8.985 -16.748 1.00 43.73 ? 320 PHE A CG 1 -ATOM 2456 C CD1 . PHE A 1 342 ? -45.024 -9.272 -18.089 1.00 45.74 ? 320 PHE A CD1 1 -ATOM 2457 C CD2 . PHE A 1 342 ? -43.579 -8.536 -16.334 1.00 37.39 ? 320 PHE A CD2 1 -ATOM 2458 C CE1 . PHE A 1 342 ? -44.003 -9.110 -19.000 1.00 51.17 ? 320 PHE A CE1 1 -ATOM 2459 C CE2 . PHE A 1 342 ? -42.553 -8.374 -17.236 1.00 40.17 ? 320 PHE A CE2 1 -ATOM 2460 C CZ . PHE A 1 342 ? -42.757 -8.653 -18.569 1.00 46.29 ? 320 PHE A CZ 1 -ATOM 2461 N N . VAL A 1 343 ? -48.180 -8.357 -13.701 1.00 46.47 ? 321 VAL A N 1 -ATOM 2462 C CA . VAL A 1 343 ? -49.327 -8.772 -12.900 1.00 49.74 ? 321 VAL A CA 1 -ATOM 2463 C C . VAL A 1 343 ? -50.475 -7.769 -13.041 1.00 60.95 ? 321 VAL A C 1 -ATOM 2464 O O . VAL A 1 343 ? -51.663 -8.133 -13.021 1.00 51.76 ? 321 VAL A O 1 -ATOM 2465 C CB . VAL A 1 343 ? -48.940 -8.927 -11.431 1.00 47.87 ? 321 VAL A CB 1 -ATOM 2466 C CG1 . VAL A 1 343 ? -50.123 -9.435 -10.628 1.00 50.14 ? 321 VAL A CG1 1 -ATOM 2467 C CG2 . VAL A 1 343 ? -47.763 -9.905 -11.309 1.00 52.37 ? 321 VAL A CG2 1 -ATOM 2468 N N . ARG A 1 344 ? -50.121 -6.490 -13.130 1.00 55.46 ? 322 ARG A N 1 -ATOM 2469 C CA . ARG A 1 344 ? -51.145 -5.462 -13.264 1.00 58.78 ? 322 ARG A CA 1 -ATOM 2470 C C . ARG A 1 344 ? -51.877 -5.668 -14.583 1.00 57.04 ? 322 ARG A C 1 -ATOM 2471 O O . ARG A 1 344 ? -53.106 -5.589 -14.624 1.00 58.17 ? 322 ARG A O 1 -ATOM 2472 C CB . ARG A 1 344 ? -50.550 -4.054 -13.157 1.00 45.74 ? 322 ARG A CB 1 -ATOM 2473 N N . LYS A 1 345 ? -51.129 -5.971 -15.650 1.00 54.31 ? 323 LYS A N 1 -ATOM 2474 C CA . LYS A 1 345 ? -51.722 -6.061 -16.991 1.00 52.35 ? 323 LYS A CA 1 -ATOM 2475 C C . LYS A 1 345 ? -52.417 -7.381 -17.338 1.00 58.15 ? 323 LYS A C 1 -ATOM 2476 O O . LYS A 1 345 ? -53.451 -7.355 -18.005 1.00 57.08 ? 323 LYS A O 1 -ATOM 2477 C CB . LYS A 1 345 ? -50.654 -5.796 -18.058 1.00 51.88 ? 323 LYS A CB 1 -ATOM 2478 C CG . LYS A 1 345 ? -51.189 -5.845 -19.495 1.00 57.86 ? 323 LYS A CG 1 -ATOM 2479 C CD . LYS A 1 345 ? -50.073 -5.735 -20.519 1.00 55.87 ? 323 LYS A CD 1 -ATOM 2480 C CE . LYS A 1 345 ? -50.611 -5.501 -21.928 1.00 63.72 ? 323 LYS A CE 1 -ATOM 2481 N NZ . LYS A 1 345 ? -50.992 -4.077 -22.190 1.00 80.90 ? 323 LYS A NZ 1 -ATOM 2482 N N . PHE A 1 346 ? -51.886 -8.521 -16.889 1.00 47.83 ? 324 PHE A N 1 -ATOM 2483 C CA . PHE A 1 346 ? -52.442 -9.814 -17.321 1.00 47.47 ? 324 PHE A CA 1 -ATOM 2484 C C . PHE A 1 346 ? -53.203 -10.586 -16.232 1.00 52.50 ? 324 PHE A C 1 -ATOM 2485 O O . PHE A 1 346 ? -53.933 -11.525 -16.537 1.00 62.08 ? 324 PHE A O 1 -ATOM 2486 C CB . PHE A 1 346 ? -51.330 -10.721 -17.859 1.00 55.70 ? 324 PHE A CB 1 -ATOM 2487 C CG . PHE A 1 346 ? -50.625 -10.171 -19.047 1.00 50.03 ? 324 PHE A CG 1 -ATOM 2488 C CD1 . PHE A 1 346 ? -51.138 -10.348 -20.313 1.00 48.98 ? 324 PHE A CD1 1 -ATOM 2489 C CD2 . PHE A 1 346 ? -49.441 -9.470 -18.897 1.00 54.44 ? 324 PHE A CD2 1 -ATOM 2490 C CE1 . PHE A 1 346 ? -50.491 -9.835 -21.412 1.00 51.05 ? 324 PHE A CE1 1 -ATOM 2491 C CE2 . PHE A 1 346 ? -48.778 -8.952 -20.003 1.00 42.10 ? 324 PHE A CE2 1 -ATOM 2492 C CZ . PHE A 1 346 ? -49.307 -9.140 -21.260 1.00 47.78 ? 324 PHE A CZ 1 -ATOM 2493 N N . GLN A 1 347 ? -52.994 -10.225 -14.971 1.00 54.78 ? 325 GLN A N 1 -ATOM 2494 C CA . GLN A 1 347 ? -53.728 -10.828 -13.859 1.00 53.47 ? 325 GLN A CA 1 -ATOM 2495 C C . GLN A 1 347 ? -54.253 -9.792 -12.850 1.00 64.50 ? 325 GLN A C 1 -ATOM 2496 O O . GLN A 1 347 ? -54.008 -9.924 -11.649 1.00 62.73 ? 325 GLN A O 1 -ATOM 2497 C CB . GLN A 1 347 ? -52.814 -11.824 -13.134 1.00 63.06 ? 325 GLN A CB 1 -ATOM 2498 C CG . GLN A 1 347 ? -52.251 -12.924 -14.045 1.00 57.42 ? 325 GLN A CG 1 -ATOM 2499 C CD . GLN A 1 347 ? -51.253 -13.836 -13.343 1.00 64.56 ? 325 GLN A CD 1 -ATOM 2500 O OE1 . GLN A 1 347 ? -50.769 -13.529 -12.249 1.00 61.32 ? 325 GLN A OE1 1 -ATOM 2501 N NE2 . GLN A 1 347 ? -50.949 -14.977 -13.972 1.00 73.12 ? 325 GLN A NE2 1 -ATOM 2502 N N . PRO A 1 348 ? -55.016 -8.784 -13.321 1.00 58.82 ? 326 PRO A N 1 -ATOM 2503 C CA . PRO A 1 348 ? -55.399 -7.671 -12.435 1.00 55.55 ? 326 PRO A CA 1 -ATOM 2504 C C . PRO A 1 348 ? -56.243 -8.065 -11.224 1.00 61.89 ? 326 PRO A C 1 -ATOM 2505 O O . PRO A 1 348 ? -56.226 -7.364 -10.215 1.00 63.66 ? 326 PRO A O 1 -ATOM 2506 C CB . PRO A 1 348 ? -56.193 -6.743 -13.363 1.00 62.32 ? 326 PRO A CB 1 -ATOM 2507 C CG . PRO A 1 348 ? -56.660 -7.622 -14.475 1.00 64.22 ? 326 PRO A CG 1 -ATOM 2508 C CD . PRO A 1 348 ? -55.579 -8.632 -14.673 1.00 57.31 ? 326 PRO A CD 1 -ATOM 2509 N N . GLU A 1 349 ? -56.972 -9.169 -11.316 1.00 59.61 ? 327 GLU A N 1 -ATOM 2510 C CA . GLU A 1 349 ? -57.807 -9.594 -10.202 1.00 63.41 ? 327 GLU A CA 1 -ATOM 2511 C C . GLU A 1 349 ? -56.980 -10.048 -8.995 1.00 61.16 ? 327 GLU A C 1 -ATOM 2512 O O . GLU A 1 349 ? -57.450 -9.995 -7.861 1.00 67.61 ? 327 GLU A O 1 -ATOM 2513 C CB . GLU A 1 349 ? -58.762 -10.713 -10.644 1.00 66.90 ? 327 GLU A CB 1 -ATOM 2514 C CG . GLU A 1 349 ? -58.112 -12.046 -11.024 1.00 66.85 ? 327 GLU A CG 1 -ATOM 2515 C CD . GLU A 1 349 ? -57.365 -12.047 -12.369 1.00 83.15 ? 327 GLU A CD 1 -ATOM 2516 O OE1 . GLU A 1 349 ? -57.309 -11.002 -13.080 1.00 65.40 ? 327 GLU A OE1 1 -ATOM 2517 O OE2 . GLU A 1 349 ? -56.831 -13.131 -12.715 1.00 90.78 ? 327 GLU A OE2 1 -ATOM 2518 N N . ARG A 1 350 ? -55.745 -10.483 -9.225 1.00 66.61 ? 328 ARG A N 1 -ATOM 2519 C CA . ARG A 1 350 ? -54.921 -10.966 -8.118 1.00 58.92 ? 328 ARG A CA 1 -ATOM 2520 C C . ARG A 1 350 ? -53.850 -9.962 -7.695 1.00 64.06 ? 328 ARG A C 1 -ATOM 2521 O O . ARG A 1 350 ? -53.077 -10.230 -6.773 1.00 51.65 ? 328 ARG A O 1 -ATOM 2522 C CB . ARG A 1 350 ? -54.309 -12.333 -8.435 1.00 70.69 ? 328 ARG A CB 1 -ATOM 2523 C CG . ARG A 1 350 ? -55.351 -13.453 -8.323 1.00 78.78 ? 328 ARG A CG 1 -ATOM 2524 C CD . ARG A 1 350 ? -54.756 -14.854 -8.403 1.00 78.48 ? 328 ARG A CD 1 -ATOM 2525 N NE . ARG A 1 350 ? -53.782 -14.984 -9.479 1.00 80.13 ? 328 ARG A NE 1 -ATOM 2526 C CZ . ARG A 1 350 ? -53.098 -16.097 -9.729 1.00 92.78 ? 328 ARG A CZ 1 -ATOM 2527 N NH1 . ARG A 1 350 ? -53.289 -17.178 -8.979 1.00 89.04 ? 328 ARG A NH1 1 -ATOM 2528 N NH2 . ARG A 1 350 ? -52.222 -16.130 -10.727 1.00 83.74 ? 328 ARG A NH2 1 -ATOM 2529 N N . TYR A 1 351 ? -53.779 -8.829 -8.392 1.00 63.84 ? 329 TYR A N 1 -ATOM 2530 C CA . TYR A 1 351 ? -52.762 -7.822 -8.083 1.00 61.26 ? 329 TYR A CA 1 -ATOM 2531 C C . TYR A 1 351 ? -52.739 -7.456 -6.600 1.00 59.27 ? 329 TYR A C 1 -ATOM 2532 O O . TYR A 1 351 ? -51.675 -7.433 -5.990 1.00 67.38 ? 329 TYR A O 1 -ATOM 2533 C CB . TYR A 1 351 ? -52.969 -6.555 -8.919 1.00 59.72 ? 329 TYR A CB 1 -ATOM 2534 C CG . TYR A 1 351 ? -51.907 -5.506 -8.674 1.00 57.69 ? 329 TYR A CG 1 -ATOM 2535 C CD1 . TYR A 1 351 ? -50.668 -5.595 -9.280 1.00 60.77 ? 329 TYR A CD1 1 -ATOM 2536 C CD2 . TYR A 1 351 ? -52.144 -4.430 -7.824 1.00 62.96 ? 329 TYR A CD2 1 -ATOM 2537 C CE1 . TYR A 1 351 ? -49.684 -4.641 -9.054 1.00 65.32 ? 329 TYR A CE1 1 -ATOM 2538 C CE2 . TYR A 1 351 ? -51.168 -3.460 -7.595 1.00 65.14 ? 329 TYR A CE2 1 -ATOM 2539 C CZ . TYR A 1 351 ? -49.945 -3.575 -8.216 1.00 67.25 ? 329 TYR A CZ 1 -ATOM 2540 O OH . TYR A 1 351 ? -48.972 -2.636 -7.994 1.00 70.34 ? 329 TYR A OH 1 -ATOM 2541 N N . LYS A 1 352 ? -53.902 -7.197 -6.009 1.00 67.54 ? 330 LYS A N 1 -ATOM 2542 C CA . LYS A 1 352 ? -53.950 -6.789 -4.600 1.00 64.54 ? 330 LYS A CA 1 -ATOM 2543 C C . LYS A 1 352 ? -53.579 -7.918 -3.641 1.00 64.10 ? 330 LYS A C 1 -ATOM 2544 O O . LYS A 1 352 ? -52.934 -7.683 -2.618 1.00 72.45 ? 330 LYS A O 1 -ATOM 2545 C CB . LYS A 1 352 ? -55.332 -6.252 -4.231 1.00 58.64 ? 330 LYS A CB 1 -ATOM 2546 C CG . LYS A 1 352 ? -55.363 -5.510 -2.896 1.00 69.53 ? 330 LYS A CG 1 -ATOM 2547 N N . LEU A 1 353 ? -53.986 -9.141 -3.955 1.00 67.16 ? 331 LEU A N 1 -ATOM 2548 C CA . LEU A 1 353 ? -53.586 -10.270 -3.120 1.00 78.01 ? 331 LEU A CA 1 -ATOM 2549 C C . LEU A 1 353 ? -52.076 -10.471 -3.186 1.00 61.88 ? 331 LEU A C 1 -ATOM 2550 O O . LEU A 1 353 ? -51.422 -10.702 -2.185 1.00 65.09 ? 331 LEU A O 1 -ATOM 2551 C CB . LEU A 1 353 ? -54.307 -11.549 -3.554 1.00 74.65 ? 331 LEU A CB 1 -ATOM 2552 C CG . LEU A 1 353 ? -55.644 -11.807 -2.873 1.00 74.36 ? 331 LEU A CG 1 -ATOM 2553 C CD1 . LEU A 1 353 ? -56.564 -12.624 -3.776 1.00 72.91 ? 331 LEU A CD1 1 -ATOM 2554 C CD2 . LEU A 1 353 ? -55.398 -12.523 -1.551 1.00 81.17 ? 331 LEU A CD2 1 -ATOM 2555 N N . TRP A 1 354 ? -51.536 -10.356 -4.385 1.00 59.43 ? 332 TRP A N 1 -ATOM 2556 C CA . TRP A 1 354 ? -50.126 -10.592 -4.616 1.00 68.56 ? 332 TRP A CA 1 -ATOM 2557 C C . TRP A 1 354 ? -49.271 -9.535 -3.921 1.00 71.26 ? 332 TRP A C 1 -ATOM 2558 O O . TRP A 1 354 ? -48.330 -9.864 -3.185 1.00 62.90 ? 332 TRP A O 1 -ATOM 2559 C CB . TRP A 1 354 ? -49.862 -10.626 -6.122 1.00 61.45 ? 332 TRP A CB 1 -ATOM 2560 C CG . TRP A 1 354 ? -48.436 -10.685 -6.504 1.00 66.48 ? 332 TRP A CG 1 -ATOM 2561 C CD1 . TRP A 1 354 ? -47.588 -11.761 -6.389 1.00 58.90 ? 332 TRP A CD1 1 -ATOM 2562 C CD2 . TRP A 1 354 ? -47.668 -9.628 -7.090 1.00 61.37 ? 332 TRP A CD2 1 -ATOM 2563 N NE1 . TRP A 1 354 ? -46.337 -11.426 -6.863 1.00 56.83 ? 332 TRP A NE1 1 -ATOM 2564 C CE2 . TRP A 1 354 ? -46.362 -10.127 -7.305 1.00 60.62 ? 332 TRP A CE2 1 -ATOM 2565 C CE3 . TRP A 1 354 ? -47.958 -8.316 -7.463 1.00 56.65 ? 332 TRP A CE3 1 -ATOM 2566 C CZ2 . TRP A 1 354 ? -45.352 -9.349 -7.857 1.00 53.48 ? 332 TRP A CZ2 1 -ATOM 2567 C CZ3 . TRP A 1 354 ? -46.952 -7.545 -8.014 1.00 56.45 ? 332 TRP A CZ3 1 -ATOM 2568 C CH2 . TRP A 1 354 ? -45.666 -8.062 -8.204 1.00 60.10 ? 332 TRP A CH2 1 -ATOM 2569 N N . LYS A 1 355 ? -49.611 -8.266 -4.148 1.00 69.29 ? 333 LYS A N 1 -ATOM 2570 C CA . LYS A 1 355 ? -48.839 -7.149 -3.595 1.00 67.90 ? 333 LYS A CA 1 -ATOM 2571 C C . LYS A 1 355 ? -48.904 -7.180 -2.069 1.00 68.34 ? 333 LYS A C 1 -ATOM 2572 O O . LYS A 1 355 ? -48.018 -6.664 -1.389 1.00 79.31 ? 333 LYS A O 1 -ATOM 2573 C CB . LYS A 1 355 ? -49.338 -5.802 -4.149 1.00 57.07 ? 333 LYS A CB 1 -ATOM 2574 C CG . LYS A 1 355 ? -48.322 -4.663 -4.055 1.00 66.52 ? 333 LYS A CG 1 -ATOM 2575 C CD . LYS A 1 355 ? -47.162 -4.831 -5.038 1.00 63.14 ? 333 LYS A CD 1 -ATOM 2576 C CE . LYS A 1 355 ? -46.093 -3.770 -4.813 1.00 62.98 ? 333 LYS A CE 1 -ATOM 2577 N NZ . LYS A 1 355 ? -44.943 -3.923 -5.754 1.00 79.92 ? 333 LYS A NZ 1 -ATOM 2578 N N . ALA A 1 356 ? -49.945 -7.815 -1.538 1.00 67.99 ? 334 ALA A N 1 -ATOM 2579 C CA . ALA A 1 356 ? -50.087 -8.004 -0.091 1.00 67.84 ? 334 ALA A CA 1 -ATOM 2580 C C . ALA A 1 356 ? -49.518 -9.346 0.386 1.00 74.68 ? 334 ALA A C 1 -ATOM 2581 O O . ALA A 1 356 ? -49.676 -9.704 1.549 1.00 77.87 ? 334 ALA A O 1 -ATOM 2582 C CB . ALA A 1 356 ? -51.555 -7.883 0.320 1.00 67.58 ? 334 ALA A CB 1 -ATOM 2583 N N . GLY A 1 357 ? -48.906 -10.105 -0.522 1.00 80.50 ? 335 GLY A N 1 -ATOM 2584 C CA . GLY A 1 357 ? -48.308 -11.391 -0.183 1.00 73.35 ? 335 GLY A CA 1 -ATOM 2585 C C . GLY A 1 357 ? -49.263 -12.480 0.283 1.00 73.02 ? 335 GLY A C 1 -ATOM 2586 O O . GLY A 1 357 ? -48.930 -13.240 1.192 1.00 74.52 ? 335 GLY A O 1 -ATOM 2587 N N . LYS A 1 358 ? -50.460 -12.538 -0.300 1.00 71.06 ? 336 LYS A N 1 -ATOM 2588 C CA . LYS A 1 358 ? -51.420 -13.592 0.035 1.00 72.04 ? 336 LYS A CA 1 -ATOM 2589 C C . LYS A 1 358 ? -51.864 -14.408 -1.184 1.00 78.70 ? 336 LYS A C 1 -ATOM 2590 O O . LYS A 1 358 ? -52.816 -15.192 -1.095 1.00 74.87 ? 336 LYS A O 1 -ATOM 2591 C CB . LYS A 1 358 ? -52.646 -13.000 0.728 1.00 73.88 ? 336 LYS A CB 1 -ATOM 2592 C CG . LYS A 1 358 ? -52.354 -12.430 2.117 1.00 78.22 ? 336 LYS A CG 1 -ATOM 2593 C CD . LYS A 1 358 ? -53.629 -11.907 2.786 1.00 86.74 ? 336 LYS A CD 1 -ATOM 2594 C CE . LYS A 1 358 ? -54.594 -13.050 3.181 1.00 91.90 ? 336 LYS A CE 1 -ATOM 2595 N NZ . LYS A 1 358 ? -54.084 -13.942 4.269 1.00 72.07 ? 336 LYS A NZ 1 -ATOM 2596 N N . ASP A 1 359 ? -51.184 -14.220 -2.316 1.00 73.14 ? 337 ASP A N 1 -ATOM 2597 C CA . ASP A 1 359 ? -51.469 -15.005 -3.516 1.00 75.60 ? 337 ASP A CA 1 -ATOM 2598 C C . ASP A 1 359 ? -50.723 -16.325 -3.446 1.00 77.48 ? 337 ASP A C 1 -ATOM 2599 O O . ASP A 1 359 ? -49.575 -16.427 -3.872 1.00 78.45 ? 337 ASP A O 1 -ATOM 2600 C CB . ASP A 1 359 ? -51.093 -14.229 -4.786 1.00 68.15 ? 337 ASP A CB 1 -ATOM 2601 C CG . ASP A 1 359 ? -51.398 -15.004 -6.070 1.00 74.19 ? 337 ASP A CG 1 -ATOM 2602 O OD1 . ASP A 1 359 ? -52.152 -16.001 -6.017 1.00 84.22 ? 337 ASP A OD1 1 -ATOM 2603 O OD2 . ASP A 1 359 ? -50.896 -14.601 -7.144 1.00 68.43 ? 337 ASP A OD2 1 -ATOM 2604 N N . ASN A 1 360 ? -51.391 -17.336 -2.906 1.00 79.40 ? 338 ASN A N 1 -ATOM 2605 C CA . ASN A 1 360 ? -50.764 -18.629 -2.696 1.00 80.06 ? 338 ASN A CA 1 -ATOM 2606 C C . ASN A 1 360 ? -51.074 -19.605 -3.821 1.00 79.33 ? 338 ASN A C 1 -ATOM 2607 O O . ASN A 1 360 ? -51.254 -20.803 -3.591 1.00 84.29 ? 338 ASN A O 1 -ATOM 2608 C CB . ASN A 1 360 ? -51.195 -19.208 -1.349 1.00 82.17 ? 338 ASN A CB 1 -ATOM 2609 C CG . ASN A 1 360 ? -50.700 -18.379 -0.176 1.00 85.89 ? 338 ASN A CG 1 -ATOM 2610 O OD1 . ASN A 1 360 ? -49.648 -17.739 -0.257 1.00 79.30 ? 338 ASN A OD1 1 -ATOM 2611 N ND2 . ASN A 1 360 ? -51.456 -18.385 0.923 1.00 79.35 ? 338 ASN A ND2 1 -ATOM 2612 N N . THR A 1 361 ? -51.130 -19.078 -5.041 1.00 75.36 ? 339 THR A N 1 -ATOM 2613 C CA . THR A 1 361 ? -51.322 -19.897 -6.230 1.00 71.26 ? 339 THR A CA 1 -ATOM 2614 C C . THR A 1 361 ? -50.258 -20.990 -6.344 1.00 79.56 ? 339 THR A C 1 -ATOM 2615 O O . THR A 1 361 ? -49.124 -20.829 -5.887 1.00 75.00 ? 339 THR A O 1 -ATOM 2616 C CB . THR A 1 361 ? -51.291 -19.049 -7.509 1.00 72.61 ? 339 THR A CB 1 -ATOM 2617 N N . VAL A 1 362 ? -50.634 -22.108 -6.953 1.00 79.60 ? 340 VAL A N 1 -ATOM 2618 C CA . VAL A 1 362 ? -49.702 -23.208 -7.141 1.00 72.31 ? 340 VAL A CA 1 -ATOM 2619 C C . VAL A 1 362 ? -49.607 -23.566 -8.626 1.00 65.31 ? 340 VAL A C 1 -ATOM 2620 O O . VAL A 1 362 ? -50.613 -23.767 -9.307 1.00 62.07 ? 340 VAL A O 1 -ATOM 2621 C CB . VAL A 1 362 ? -50.106 -24.436 -6.302 1.00 66.07 ? 340 VAL A CB 1 -ATOM 2622 C CG1 . VAL A 1 362 ? -49.303 -25.655 -6.721 1.00 54.72 ? 340 VAL A CG1 1 -ATOM 2623 C CG2 . VAL A 1 362 ? -49.889 -24.137 -4.830 1.00 64.66 ? 340 VAL A CG2 1 -ATOM 2624 N N . ILE A 1 363 ? -48.377 -23.613 -9.123 1.00 62.00 ? 341 ILE A N 1 -ATOM 2625 C CA . ILE A 1 363 ? -48.129 -23.851 -10.538 1.00 72.36 ? 341 ILE A CA 1 -ATOM 2626 C C . ILE A 1 363 ? -48.265 -25.332 -10.905 1.00 59.59 ? 341 ILE A C 1 -ATOM 2627 O O . ILE A 1 363 ? -47.782 -26.192 -10.178 1.00 67.15 ? 341 ILE A O 1 -ATOM 2628 C CB . ILE A 1 363 ? -46.719 -23.394 -10.938 1.00 59.35 ? 341 ILE A CB 1 -ATOM 2629 C CG1 . ILE A 1 363 ? -46.436 -21.978 -10.430 1.00 69.01 ? 341 ILE A CG1 1 -ATOM 2630 C CG2 . ILE A 1 363 ? -46.518 -23.563 -12.427 1.00 60.22 ? 341 ILE A CG2 1 -ATOM 2631 C CD1 . ILE A 1 363 ? -45.127 -21.387 -10.938 1.00 48.99 ? 341 ILE A CD1 1 -ATOM 2632 N N . ASP A 1 364 ? -48.925 -25.616 -12.024 1.00 56.89 ? 342 ASP A N 1 -ATOM 2633 C CA . ASP A 1 364 ? -48.965 -26.960 -12.597 1.00 65.07 ? 342 ASP A CA 1 -ATOM 2634 C C . ASP A 1 364 ? -48.142 -26.985 -13.879 1.00 56.03 ? 342 ASP A C 1 -ATOM 2635 O O . ASP A 1 364 ? -48.521 -26.390 -14.883 1.00 62.53 ? 342 ASP A O 1 -ATOM 2636 C CB . ASP A 1 364 ? -50.401 -27.420 -12.884 1.00 65.53 ? 342 ASP A CB 1 -ATOM 2637 C CG . ASP A 1 364 ? -50.454 -28.688 -13.763 1.00 73.18 ? 342 ASP A CG 1 -ATOM 2638 O OD1 . ASP A 1 364 ? -49.566 -29.571 -13.642 1.00 66.85 ? 342 ASP A OD1 1 -ATOM 2639 O OD2 . ASP A 1 364 ? -51.396 -28.800 -14.578 1.00 74.86 ? 342 ASP A OD2 1 -ATOM 2640 N N . HIS A 1 365 ? -47.026 -27.699 -13.851 1.00 59.66 ? 343 HIS A N 1 -ATOM 2641 C CA . HIS A 1 365 ? -46.061 -27.611 -14.931 1.00 53.78 ? 343 HIS A CA 1 -ATOM 2642 C C . HIS A 1 365 ? -46.547 -28.213 -16.260 1.00 54.67 ? 343 HIS A C 1 -ATOM 2643 O O . HIS A 1 365 ? -45.954 -27.947 -17.311 1.00 55.71 ? 343 HIS A O 1 -ATOM 2644 C CB . HIS A 1 365 ? -44.750 -28.272 -14.485 1.00 59.73 ? 343 HIS A CB 1 -ATOM 2645 C CG . HIS A 1 365 ? -44.166 -27.669 -13.241 1.00 59.54 ? 343 HIS A CG 1 -ATOM 2646 N ND1 . HIS A 1 365 ? -43.712 -26.367 -13.190 1.00 61.28 ? 343 HIS A ND1 1 -ATOM 2647 C CD2 . HIS A 1 365 ? -43.937 -28.193 -12.012 1.00 65.91 ? 343 HIS A CD2 1 -ATOM 2648 C CE1 . HIS A 1 365 ? -43.243 -26.112 -11.979 1.00 60.28 ? 343 HIS A CE1 1 -ATOM 2649 N NE2 . HIS A 1 365 ? -43.358 -27.205 -11.247 1.00 52.39 ? 343 HIS A NE2 1 -ATOM 2650 N N . THR A 1 366 ? -47.640 -28.978 -16.234 1.00 55.30 ? 344 THR A N 1 -ATOM 2651 C CA . THR A 1 366 ? -48.142 -29.618 -17.458 1.00 56.97 ? 344 THR A CA 1 -ATOM 2652 C C . THR A 1 366 ? -49.111 -28.753 -18.271 1.00 54.12 ? 344 THR A C 1 -ATOM 2653 O O . THR A 1 366 ? -49.294 -28.992 -19.466 1.00 57.70 ? 344 THR A O 1 -ATOM 2654 C CB . THR A 1 366 ? -48.865 -30.965 -17.158 1.00 69.91 ? 344 THR A CB 1 -ATOM 2655 O OG1 . THR A 1 366 ? -50.092 -30.729 -16.453 1.00 57.10 ? 344 THR A OG1 1 -ATOM 2656 C CG2 . THR A 1 366 ? -47.963 -31.907 -16.358 1.00 63.98 ? 344 THR A CG2 1 -ATOM 2657 N N . LEU A 1 367 ? -49.747 -27.770 -17.638 1.00 50.45 ? 345 LEU A N 1 -ATOM 2658 C CA . LEU A 1 367 ? -50.703 -26.910 -18.363 1.00 60.03 ? 345 LEU A CA 1 -ATOM 2659 C C . LEU A 1 367 ? -50.023 -26.058 -19.445 1.00 61.16 ? 345 LEU A C 1 -ATOM 2660 O O . LEU A 1 367 ? -49.040 -25.373 -19.151 1.00 66.83 ? 345 LEU A O 1 -ATOM 2661 C CB . LEU A 1 367 ? -51.453 -25.994 -17.382 1.00 48.86 ? 345 LEU A CB 1 -ATOM 2662 N N . PRO A 1 368 ? -50.551 -26.079 -20.690 1.00 52.76 ? 346 PRO A N 1 -ATOM 2663 C CA . PRO A 1 368 ? -50.042 -25.218 -21.766 1.00 62.49 ? 346 PRO A CA 1 -ATOM 2664 C C . PRO A 1 368 ? -50.480 -23.755 -21.596 1.00 66.68 ? 346 PRO A C 1 -ATOM 2665 O O . PRO A 1 368 ? -51.437 -23.485 -20.853 1.00 58.37 ? 346 PRO A O 1 -ATOM 2666 C CB . PRO A 1 368 ? -50.671 -25.820 -23.021 1.00 59.22 ? 346 PRO A CB 1 -ATOM 2667 C CG . PRO A 1 368 ? -51.951 -26.374 -22.537 1.00 51.28 ? 346 PRO A CG 1 -ATOM 2668 C CD . PRO A 1 368 ? -51.709 -26.869 -21.137 1.00 56.17 ? 346 PRO A CD 1 -ATOM 2669 N N . THR A 1 369 ? -49.781 -22.840 -22.272 1.00 59.19 ? 347 THR A N 1 -ATOM 2670 C CA . THR A 1 369 ? -50.073 -21.400 -22.186 1.00 66.75 ? 347 THR A CA 1 -ATOM 2671 C C . THR A 1 369 ? -51.445 -21.116 -22.804 1.00 62.09 ? 347 THR A C 1 -ATOM 2672 O O . THR A 1 369 ? -51.807 -21.722 -23.812 1.00 64.63 ? 347 THR A O 1 -ATOM 2673 C CB . THR A 1 369 ? -48.944 -20.522 -22.883 1.00 53.47 ? 347 THR A CB 1 -ATOM 2674 O OG1 . THR A 1 369 ? -49.057 -19.144 -22.492 1.00 70.20 ? 347 THR A OG1 1 -ATOM 2675 C CG2 . THR A 1 369 ? -48.973 -20.643 -24.407 1.00 55.42 ? 347 THR A CG2 1 -ATOM 2676 N N . PRO A 1 370 ? -52.210 -20.194 -22.196 1.00 68.97 ? 348 PRO A N 1 -ATOM 2677 C CA . PRO A 1 370 ? -53.574 -19.861 -22.639 1.00 68.15 ? 348 PRO A CA 1 -ATOM 2678 C C . PRO A 1 370 ? -53.700 -19.476 -24.120 1.00 74.11 ? 348 PRO A C 1 -ATOM 2679 O O . PRO A 1 370 ? -54.778 -19.679 -24.687 1.00 80.98 ? 348 PRO A O 1 -ATOM 2680 C CB . PRO A 1 370 ? -53.954 -18.676 -21.742 1.00 57.53 ? 348 PRO A CB 1 -ATOM 2681 C CG . PRO A 1 370 ? -52.667 -18.195 -21.146 1.00 72.44 ? 348 PRO A CG 1 -ATOM 2682 C CD . PRO A 1 370 ? -51.815 -19.410 -21.014 1.00 63.90 ? 348 PRO A CD 1 -ATOM 2683 N N . GLU A 1 371 ? -52.628 -18.970 -24.737 1.00 77.30 ? 349 GLU A N 1 -ATOM 2684 C CA . GLU A 1 371 ? -52.648 -18.544 -26.152 1.00 84.54 ? 349 GLU A CA 1 -ATOM 2685 C C . GLU A 1 371 ? -52.849 -19.714 -27.131 1.00 82.83 ? 349 GLU A C 1 -ATOM 2686 O O . GLU A 1 371 ? -52.888 -19.533 -28.357 1.00 74.24 ? 349 GLU A O 1 -ATOM 2687 C CB . GLU A 1 371 ? -51.352 -17.794 -26.501 1.00 75.34 ? 349 GLU A CB 1 -ATOM 2688 N N . ALA A 1 372 ? -52.971 -20.913 -26.572 1.00 85.13 ? 350 ALA A N 1 -ATOM 2689 C CA . ALA A 1 372 ? -53.182 -22.125 -27.344 1.00 89.12 ? 350 ALA A CA 1 -ATOM 2690 C C . ALA A 1 372 ? -54.657 -22.500 -27.312 1.00 87.27 ? 350 ALA A C 1 -ATOM 2691 O O . ALA A 1 372 ? -55.014 -23.667 -27.438 1.00 94.75 ? 350 ALA A O 1 -ATOM 2692 C CB . ALA A 1 372 ? -52.316 -23.265 -26.801 1.00 80.45 ? 350 ALA A CB 1 -ATOM 2693 N N . ALA A 1 373 ? -55.510 -21.498 -27.126 1.00 94.50 ? 351 ALA A N 1 -ATOM 2694 C CA . ALA A 1 373 ? -56.958 -21.682 -27.167 1.00 90.99 ? 351 ALA A CA 1 -ATOM 2695 C C . ALA A 1 373 ? -57.414 -21.866 -28.612 1.00 96.36 ? 351 ALA A C 1 -ATOM 2696 O O . ALA A 1 373 ? -58.550 -22.264 -28.870 1.00 106.97 ? 351 ALA A O 1 -ATOM 2697 C CB . ALA A 1 373 ? -57.672 -20.498 -26.521 1.00 98.33 ? 351 ALA A CB 1 -ATOM 2698 N N . GLU A 1 374 ? -56.527 -21.535 -29.549 1.00 98.92 ? 352 GLU A N 1 -ATOM 2699 C CA . GLU A 1 374 ? -56.777 -21.742 -30.972 1.00 97.15 ? 352 GLU A CA 1 -ATOM 2700 C C . GLU A 1 374 ? -56.713 -23.232 -31.304 1.00 94.50 ? 352 GLU A C 1 -ATOM 2701 O O . GLU A 1 374 ? -57.300 -23.680 -32.287 1.00 91.68 ? 352 GLU A O 1 -ATOM 2702 C CB . GLU A 1 374 ? -55.747 -20.994 -31.817 1.00 84.68 ? 352 GLU A CB 1 -ATOM 2703 C CG . GLU A 1 374 ? -55.221 -19.738 -31.180 1.00 87.96 ? 352 GLU A CG 1 -ATOM 2704 C CD . GLU A 1 374 ? -54.535 -18.836 -32.176 1.00 104.57 ? 352 GLU A CD 1 -ATOM 2705 O OE1 . GLU A 1 374 ? -54.994 -18.774 -33.337 1.00 108.66 ? 352 GLU A OE1 1 -ATOM 2706 O OE2 . GLU A 1 374 ? -53.517 -18.210 -31.801 1.00 102.94 ? 352 GLU A OE2 1 -ATOM 2707 N N . PHE A 1 375 ? -55.998 -23.990 -30.471 1.00 94.49 ? 353 PHE A N 1 -ATOM 2708 C CA . PHE A 1 375 ? -55.697 -25.399 -30.744 1.00 96.61 ? 353 PHE A CA 1 -ATOM 2709 C C . PHE A 1 375 ? -56.429 -26.342 -29.780 1.00 94.65 ? 353 PHE A C 1 -ATOM 2710 O O . PHE A 1 375 ? -55.976 -26.602 -28.659 1.00 83.45 ? 353 PHE A O 1 -ATOM 2711 C CB . PHE A 1 375 ? -54.180 -25.645 -30.674 1.00 88.53 ? 353 PHE A CB 1 -ATOM 2712 C CG . PHE A 1 375 ? -53.373 -24.671 -31.488 1.00 87.08 ? 353 PHE A CG 1 -ATOM 2713 C CD1 . PHE A 1 375 ? -53.293 -24.793 -32.868 1.00 85.42 ? 353 PHE A CD1 1 -ATOM 2714 C CD2 . PHE A 1 375 ? -52.712 -23.618 -30.872 1.00 84.15 ? 353 PHE A CD2 1 -ATOM 2715 C CE1 . PHE A 1 375 ? -52.557 -23.882 -33.625 1.00 86.20 ? 353 PHE A CE1 1 -ATOM 2716 C CE2 . PHE A 1 375 ? -51.976 -22.705 -31.620 1.00 82.68 ? 353 PHE A CE2 1 -ATOM 2717 C CZ . PHE A 1 375 ? -51.900 -22.840 -33.000 1.00 80.74 ? 353 PHE A CZ 1 -ATOM 2718 N N . LEU B 2 30 ? -29.618 -35.578 5.063 1.00 90.21 ? 8 LEU B N 1 -ATOM 2719 C CA . LEU B 2 30 ? -28.543 -34.685 4.621 1.00 111.52 ? 8 LEU B CA 1 -ATOM 2720 C C . LEU B 2 30 ? -27.749 -35.280 3.440 1.00 99.48 ? 8 LEU B C 1 -ATOM 2721 O O . LEU B 2 30 ? -27.804 -34.799 2.300 1.00 81.65 ? 8 LEU B O 1 -ATOM 2722 C CB . LEU B 2 30 ? -27.583 -34.385 5.791 1.00 95.95 ? 8 LEU B CB 1 -ATOM 2723 C CG . LEU B 2 30 ? -27.471 -32.975 6.395 1.00 95.33 ? 8 LEU B CG 1 -ATOM 2724 C CD1 . LEU B 2 30 ? -26.460 -32.943 7.552 1.00 79.80 ? 8 LEU B CD1 1 -ATOM 2725 C CD2 . LEU B 2 30 ? -27.132 -31.911 5.348 1.00 95.82 ? 8 LEU B CD2 1 -ATOM 2726 N N . ASN B 2 31 ? -27.057 -36.372 3.740 1.00 95.24 ? 9 ASN B N 1 -ATOM 2727 C CA . ASN B 2 31 ? -25.942 -36.886 2.953 1.00 87.11 ? 9 ASN B CA 1 -ATOM 2728 C C . ASN B 2 31 ? -26.357 -37.755 1.748 1.00 80.38 ? 9 ASN B C 1 -ATOM 2729 O O . ASN B 2 31 ? -27.089 -38.735 1.920 1.00 76.10 ? 9 ASN B O 1 -ATOM 2730 C CB . ASN B 2 31 ? -25.015 -37.672 3.902 1.00 87.62 ? 9 ASN B CB 1 -ATOM 2731 C CG . ASN B 2 31 ? -23.809 -38.271 3.205 1.00 84.25 ? 9 ASN B CG 1 -ATOM 2732 O OD1 . ASN B 2 31 ? -23.420 -37.839 2.122 1.00 81.61 ? 9 ASN B OD1 1 -ATOM 2733 N ND2 . ASN B 2 31 ? -23.201 -39.273 3.837 1.00 89.75 ? 9 ASN B ND2 1 -ATOM 2734 N N . PRO B 2 32 ? -25.936 -37.358 0.520 1.00 81.40 ? 10 PRO B N 1 -ATOM 2735 C CA . PRO B 2 32 ? -26.218 -38.060 -0.752 1.00 75.04 ? 10 PRO B CA 1 -ATOM 2736 C C . PRO B 2 32 ? -25.528 -39.422 -0.795 1.00 82.13 ? 10 PRO B C 1 -ATOM 2737 O O . PRO B 2 32 ? -25.874 -40.301 -1.608 1.00 78.39 ? 10 PRO B O 1 -ATOM 2738 C CB . PRO B 2 32 ? -25.647 -37.131 -1.824 1.00 66.16 ? 10 PRO B CB 1 -ATOM 2739 C CG . PRO B 2 32 ? -25.695 -35.788 -1.195 1.00 73.43 ? 10 PRO B CG 1 -ATOM 2740 C CD . PRO B 2 32 ? -25.364 -36.022 0.269 1.00 80.88 ? 10 PRO B CD 1 -ATOM 2741 N N . SER B 2 33 ? -24.543 -39.582 0.086 1.00 83.02 ? 11 SER B N 1 -ATOM 2742 C CA . SER B 2 33 ? -23.865 -40.858 0.242 1.00 79.44 ? 11 SER B CA 1 -ATOM 2743 C C . SER B 2 33 ? -24.779 -41.777 1.047 1.00 77.21 ? 11 SER B C 1 -ATOM 2744 O O . SER B 2 33 ? -24.474 -42.956 1.224 1.00 85.70 ? 11 SER B O 1 -ATOM 2745 C CB . SER B 2 33 ? -22.515 -40.679 0.935 1.00 70.98 ? 11 SER B CB 1 -ATOM 2746 O OG . SER B 2 33 ? -21.736 -39.709 0.258 1.00 71.26 ? 11 SER B OG 1 -ATOM 2747 N N . ALA B 2 34 ? -25.901 -41.231 1.530 1.00 72.19 ? 12 ALA B N 1 -ATOM 2748 C CA . ALA B 2 34 ? -26.946 -42.043 2.151 1.00 61.86 ? 12 ALA B CA 1 -ATOM 2749 C C . ALA B 2 34 ? -28.308 -41.740 1.530 1.00 55.45 ? 12 ALA B C 1 -ATOM 2750 O O . ALA B 2 34 ? -29.325 -41.821 2.219 1.00 59.69 ? 12 ALA B O 1 -ATOM 2751 C CB . ALA B 2 34 ? -26.992 -41.804 3.652 1.00 61.55 ? 12 ALA B CB 1 -ATOM 2752 N N . ARG B 2 35 ? -28.312 -41.388 0.234 1.00 65.96 ? 13 ARG B N 1 -ATOM 2753 C CA . ARG B 2 35 ? -29.535 -41.197 -0.569 1.00 55.88 ? 13 ARG B CA 1 -ATOM 2754 C C . ARG B 2 35 ? -29.761 -42.468 -1.382 1.00 52.54 ? 13 ARG B C 1 -ATOM 2755 O O . ARG B 2 35 ? -28.797 -43.162 -1.715 1.00 52.27 ? 13 ARG B O 1 -ATOM 2756 C CB . ARG B 2 35 ? -29.444 -39.982 -1.507 1.00 46.90 ? 13 ARG B CB 1 -ATOM 2757 C CG . ARG B 2 35 ? -29.638 -38.584 -0.857 1.00 64.41 ? 13 ARG B CG 1 -ATOM 2758 C CD . ARG B 2 35 ? -31.103 -38.120 -0.759 1.00 63.04 ? 13 ARG B CD 1 -ATOM 2759 N NE . ARG B 2 35 ? -31.647 -37.696 -2.053 1.00 68.93 ? 13 ARG B NE 1 -ATOM 2760 C CZ . ARG B 2 35 ? -31.572 -36.457 -2.539 1.00 68.36 ? 13 ARG B CZ 1 -ATOM 2761 N NH1 . ARG B 2 35 ? -30.972 -35.488 -1.843 1.00 59.87 ? 13 ARG B NH1 1 -ATOM 2762 N NH2 . ARG B 2 35 ? -32.092 -36.181 -3.733 1.00 65.21 ? 13 ARG B NH2 1 -ATOM 2763 N N . ILE B 2 36 ? -31.008 -42.759 -1.739 1.00 42.41 ? 14 ILE B N 1 -ATOM 2764 C CA . ILE B 2 36 ? -31.300 -43.995 -2.462 1.00 47.64 ? 14 ILE B CA 1 -ATOM 2765 C C . ILE B 2 36 ? -30.788 -43.977 -3.888 1.00 46.30 ? 14 ILE B C 1 -ATOM 2766 O O . ILE B 2 36 ? -31.203 -43.143 -4.693 1.00 53.37 ? 14 ILE B O 1 -ATOM 2767 C CB . ILE B 2 36 ? -32.794 -44.273 -2.490 1.00 44.71 ? 14 ILE B CB 1 -ATOM 2768 C CG1 . ILE B 2 36 ? -33.287 -44.524 -1.067 1.00 43.39 ? 14 ILE B CG1 1 -ATOM 2769 C CG2 . ILE B 2 36 ? -33.098 -45.435 -3.446 1.00 41.31 ? 14 ILE B CG2 1 -ATOM 2770 C CD1 . ILE B 2 36 ? -34.798 -44.576 -0.933 1.00 42.65 ? 14 ILE B CD1 1 -ATOM 2771 N N . MET B 2 37 ? -29.866 -44.884 -4.193 1.00 43.52 ? 15 MET B N 1 -ATOM 2772 C CA . MET B 2 37 ? -29.301 -45.003 -5.540 1.00 39.40 ? 15 MET B CA 1 -ATOM 2773 C C . MET B 2 37 ? -30.037 -46.014 -6.410 1.00 44.65 ? 15 MET B C 1 -ATOM 2774 O O . MET B 2 37 ? -30.665 -46.947 -5.893 1.00 43.46 ? 15 MET B O 1 -ATOM 2775 C CB . MET B 2 37 ? -27.846 -45.404 -5.445 1.00 54.38 ? 15 MET B CB 1 -ATOM 2776 C CG . MET B 2 37 ? -27.064 -44.505 -4.521 1.00 57.59 ? 15 MET B CG 1 -ATOM 2777 S SD . MET B 2 37 ? -25.413 -45.155 -4.315 1.00 56.55 ? 15 MET B SD 1 -ATOM 2778 C CE . MET B 2 37 ? -24.693 -43.954 -3.167 1.00 66.19 ? 15 MET B CE 1 -ATOM 2779 N N . THR B 2 38 ? -29.919 -45.830 -7.723 1.00 40.54 ? 16 THR B N 1 -ATOM 2780 C CA . THR B 2 38 ? -30.541 -46.682 -8.731 1.00 51.67 ? 16 THR B CA 1 -ATOM 2781 C C . THR B 2 38 ? -29.419 -47.224 -9.618 1.00 49.61 ? 16 THR B C 1 -ATOM 2782 O O . THR B 2 38 ? -28.504 -46.482 -9.950 1.00 54.29 ? 16 THR B O 1 -ATOM 2783 C CB . THR B 2 38 ? -31.574 -45.904 -9.606 1.00 50.81 ? 16 THR B CB 1 -ATOM 2784 O OG1 . THR B 2 38 ? -32.477 -45.159 -8.775 1.00 54.20 ? 16 THR B OG1 1 -ATOM 2785 C CG2 . THR B 2 38 ? -32.359 -46.854 -10.528 1.00 39.98 ? 16 THR B CG2 1 -ATOM 2786 N N . PHE B 2 39 ? -29.467 -48.504 -9.983 1.00 50.65 ? 17 PHE B N 1 -ATOM 2787 C CA . PHE B 2 39 ? -28.388 -49.128 -10.781 1.00 42.13 ? 17 PHE B CA 1 -ATOM 2788 C C . PHE B 2 39 ? -28.938 -49.810 -12.020 1.00 44.34 ? 17 PHE B C 1 -ATOM 2789 O O . PHE B 2 39 ? -30.050 -50.340 -12.002 1.00 48.07 ? 17 PHE B O 1 -ATOM 2790 C CB . PHE B 2 39 ? -27.614 -50.144 -9.957 1.00 41.87 ? 17 PHE B CB 1 -ATOM 2791 C CG . PHE B 2 39 ? -26.898 -49.552 -8.791 1.00 47.96 ? 17 PHE B CG 1 -ATOM 2792 C CD1 . PHE B 2 39 ? -25.606 -49.077 -8.918 1.00 41.44 ? 17 PHE B CD1 1 -ATOM 2793 C CD2 . PHE B 2 39 ? -27.509 -49.476 -7.565 1.00 46.79 ? 17 PHE B CD2 1 -ATOM 2794 C CE1 . PHE B 2 39 ? -24.949 -48.540 -7.841 1.00 41.44 ? 17 PHE B CE1 1 -ATOM 2795 C CE2 . PHE B 2 39 ? -26.848 -48.916 -6.485 1.00 45.48 ? 17 PHE B CE2 1 -ATOM 2796 C CZ . PHE B 2 39 ? -25.570 -48.453 -6.631 1.00 42.88 ? 17 PHE B CZ 1 -ATOM 2797 N N . TYR B 2 40 ? -28.160 -49.822 -13.092 1.00 49.33 ? 18 TYR B N 1 -ATOM 2798 C CA . TYR B 2 40 ? -28.616 -50.413 -14.346 1.00 48.75 ? 18 TYR B CA 1 -ATOM 2799 C C . TYR B 2 40 ? -27.649 -51.471 -14.879 1.00 50.59 ? 18 TYR B C 1 -ATOM 2800 O O . TYR B 2 40 ? -26.930 -51.227 -15.838 1.00 53.56 ? 18 TYR B O 1 -ATOM 2801 C CB . TYR B 2 40 ? -28.807 -49.306 -15.383 1.00 51.93 ? 18 TYR B CB 1 -ATOM 2802 C CG . TYR B 2 40 ? -29.882 -48.297 -15.014 1.00 59.20 ? 18 TYR B CG 1 -ATOM 2803 C CD1 . TYR B 2 40 ? -29.632 -47.283 -14.089 1.00 49.69 ? 18 TYR B CD1 1 -ATOM 2804 C CD2 . TYR B 2 40 ? -31.127 -48.329 -15.627 1.00 54.91 ? 18 TYR B CD2 1 -ATOM 2805 C CE1 . TYR B 2 40 ? -30.611 -46.352 -13.755 1.00 55.70 ? 18 TYR B CE1 1 -ATOM 2806 C CE2 . TYR B 2 40 ? -32.104 -47.401 -15.304 1.00 54.31 ? 18 TYR B CE2 1 -ATOM 2807 C CZ . TYR B 2 40 ? -31.841 -46.423 -14.369 1.00 55.15 ? 18 TYR B CZ 1 -ATOM 2808 O OH . TYR B 2 40 ? -32.819 -45.516 -14.064 1.00 68.01 ? 18 TYR B OH 1 -ATOM 2809 N N . PRO B 2 41 ? -27.653 -52.673 -14.285 1.00 61.37 ? 19 PRO B N 1 -ATOM 2810 C CA . PRO B 2 41 ? -26.664 -53.658 -14.757 1.00 53.89 ? 19 PRO B CA 1 -ATOM 2811 C C . PRO B 2 41 ? -26.898 -54.115 -16.195 1.00 55.31 ? 19 PRO B C 1 -ATOM 2812 O O . PRO B 2 41 ? -28.041 -54.200 -16.648 1.00 57.46 ? 19 PRO B O 1 -ATOM 2813 C CB . PRO B 2 41 ? -26.838 -54.826 -13.777 1.00 55.92 ? 19 PRO B CB 1 -ATOM 2814 C CG . PRO B 2 41 ? -28.247 -54.699 -13.260 1.00 55.58 ? 19 PRO B CG 1 -ATOM 2815 C CD . PRO B 2 41 ? -28.509 -53.201 -13.206 1.00 59.27 ? 19 PRO B CD 1 -ATOM 2816 N N . THR B 2 42 ? -25.807 -54.383 -16.910 1.00 65.13 ? 20 THR B N 1 -ATOM 2817 C CA . THR B 2 42 ? -25.860 -55.042 -18.216 1.00 65.70 ? 20 THR B CA 1 -ATOM 2818 C C . THR B 2 42 ? -26.106 -56.535 -18.044 1.00 67.20 ? 20 THR B C 1 -ATOM 2819 O O . THR B 2 42 ? -26.116 -57.037 -16.916 1.00 65.27 ? 20 THR B O 1 -ATOM 2820 C CB . THR B 2 42 ? -24.564 -54.877 -18.992 1.00 71.25 ? 20 THR B CB 1 -ATOM 2821 O OG1 . THR B 2 42 ? -23.534 -55.608 -18.316 1.00 66.41 ? 20 THR B OG1 1 -ATOM 2822 C CG2 . THR B 2 42 ? -24.176 -53.399 -19.100 1.00 69.85 ? 20 THR B CG2 1 -ATOM 2823 N N . MET B 2 43 ? -26.285 -57.244 -19.157 1.00 74.57 ? 21 MET B N 1 -ATOM 2824 C CA . MET B 2 43 ? -26.582 -58.676 -19.099 1.00 71.65 ? 21 MET B CA 1 -ATOM 2825 C C . MET B 2 43 ? -25.457 -59.475 -18.436 1.00 66.96 ? 21 MET B C 1 -ATOM 2826 O O . MET B 2 43 ? -25.727 -60.393 -17.670 1.00 68.28 ? 21 MET B O 1 -ATOM 2827 C CB . MET B 2 43 ? -26.853 -59.224 -20.499 1.00 63.33 ? 21 MET B CB 1 -ATOM 2828 N N . GLU B 2 44 ? -24.204 -59.087 -18.660 1.00 67.34 ? 22 GLU B N 1 -ATOM 2829 C CA . GLU B 2 44 ? -23.096 -59.841 -18.076 1.00 71.45 ? 22 GLU B CA 1 -ATOM 2830 C C . GLU B 2 44 ? -23.003 -59.632 -16.561 1.00 79.02 ? 22 GLU B C 1 -ATOM 2831 O O . GLU B 2 44 ? -22.626 -60.552 -15.825 1.00 75.59 ? 22 GLU B O 1 -ATOM 2832 C CB . GLU B 2 44 ? -21.771 -59.470 -18.746 1.00 59.49 ? 22 GLU B CB 1 -ATOM 2833 N N . GLU B 2 45 ? -23.373 -58.440 -16.090 1.00 74.27 ? 23 GLU B N 1 -ATOM 2834 C CA . GLU B 2 45 ? -23.293 -58.139 -14.660 1.00 67.22 ? 23 GLU B CA 1 -ATOM 2835 C C . GLU B 2 45 ? -24.444 -58.764 -13.911 1.00 60.72 ? 23 GLU B C 1 -ATOM 2836 O O . GLU B 2 45 ? -24.331 -59.105 -12.736 1.00 74.02 ? 23 GLU B O 1 -ATOM 2837 C CB . GLU B 2 45 ? -23.318 -56.639 -14.414 1.00 66.01 ? 23 GLU B CB 1 -ATOM 2838 C CG . GLU B 2 45 ? -22.241 -55.861 -15.106 1.00 70.42 ? 23 GLU B CG 1 -ATOM 2839 C CD . GLU B 2 45 ? -22.522 -54.365 -15.056 1.00 86.47 ? 23 GLU B CD 1 -ATOM 2840 O OE1 . GLU B 2 45 ? -23.468 -53.922 -15.749 1.00 83.31 ? 23 GLU B OE1 1 -ATOM 2841 O OE2 . GLU B 2 45 ? -21.802 -53.640 -14.323 1.00 86.31 ? 23 GLU B OE2 1 -ATOM 2842 N N . PHE B 2 46 ? -25.558 -58.915 -14.605 1.00 62.77 ? 24 PHE B N 1 -ATOM 2843 C CA . PHE B 2 46 ? -26.780 -59.418 -14.002 1.00 60.31 ? 24 PHE B CA 1 -ATOM 2844 C C . PHE B 2 46 ? -26.650 -60.916 -13.676 1.00 71.98 ? 24 PHE B C 1 -ATOM 2845 O O . PHE B 2 46 ? -27.324 -61.421 -12.778 1.00 68.44 ? 24 PHE B O 1 -ATOM 2846 C CB . PHE B 2 46 ? -27.950 -59.179 -14.950 1.00 58.70 ? 24 PHE B CB 1 -ATOM 2847 C CG . PHE B 2 46 ? -29.299 -59.171 -14.289 1.00 53.71 ? 24 PHE B CG 1 -ATOM 2848 C CD1 . PHE B 2 46 ? -29.618 -58.205 -13.354 1.00 49.77 ? 24 PHE B CD1 1 -ATOM 2849 C CD2 . PHE B 2 46 ? -30.261 -60.099 -14.645 1.00 54.95 ? 24 PHE B CD2 1 -ATOM 2850 C CE1 . PHE B 2 46 ? -30.861 -58.166 -12.769 1.00 49.87 ? 24 PHE B CE1 1 -ATOM 2851 C CE2 . PHE B 2 46 ? -31.513 -60.078 -14.062 1.00 58.11 ? 24 PHE B CE2 1 -ATOM 2852 C CZ . PHE B 2 46 ? -31.818 -59.105 -13.120 1.00 57.26 ? 24 PHE B CZ 1 -ATOM 2853 N N . ARG B 2 47 ? -25.778 -61.616 -14.401 1.00 73.55 ? 25 ARG B N 1 -ATOM 2854 C CA . ARG B 2 47 ? -25.712 -63.073 -14.318 1.00 59.94 ? 25 ARG B CA 1 -ATOM 2855 C C . ARG B 2 47 ? -25.343 -63.522 -12.911 1.00 61.04 ? 25 ARG B C 1 -ATOM 2856 O O . ARG B 2 47 ? -26.039 -64.342 -12.323 1.00 71.92 ? 25 ARG B O 1 -ATOM 2857 C CB . ARG B 2 47 ? -24.705 -63.623 -15.336 1.00 55.71 ? 25 ARG B CB 1 -ATOM 2858 N N . ASN B 2 48 ? -24.284 -62.959 -12.340 1.00 63.50 ? 26 ASN B N 1 -ATOM 2859 C CA . ASN B 2 48 ? -23.921 -63.318 -10.970 1.00 58.36 ? 26 ASN B CA 1 -ATOM 2860 C C . ASN B 2 48 ? -24.562 -62.373 -9.946 1.00 64.64 ? 26 ASN B C 1 -ATOM 2861 O O . ASN B 2 48 ? -24.229 -61.182 -9.898 1.00 67.07 ? 26 ASN B O 1 -ATOM 2862 C CB . ASN B 2 48 ? -22.407 -63.327 -10.795 1.00 54.62 ? 26 ASN B CB 1 -ATOM 2863 C CG . ASN B 2 48 ? -21.977 -63.922 -9.466 1.00 68.57 ? 26 ASN B CG 1 -ATOM 2864 O OD1 . ASN B 2 48 ? -22.801 -64.139 -8.574 1.00 69.30 ? 26 ASN B OD1 1 -ATOM 2865 N ND2 . ASN B 2 48 ? -20.678 -64.202 -9.329 1.00 68.04 ? 26 ASN B ND2 1 -ATOM 2866 N N . PHE B 2 49 ? -25.470 -62.916 -9.132 1.00 58.68 ? 27 PHE B N 1 -ATOM 2867 C CA . PHE B 2 49 ? -26.256 -62.129 -8.180 1.00 63.62 ? 27 PHE B CA 1 -ATOM 2868 C C . PHE B 2 49 ? -25.441 -61.609 -7.024 1.00 69.09 ? 27 PHE B C 1 -ATOM 2869 O O . PHE B 2 49 ? -25.480 -60.414 -6.727 1.00 65.53 ? 27 PHE B O 1 -ATOM 2870 C CB . PHE B 2 49 ? -27.416 -62.942 -7.613 1.00 60.32 ? 27 PHE B CB 1 -ATOM 2871 C CG . PHE B 2 49 ? -28.135 -62.268 -6.458 1.00 57.70 ? 27 PHE B CG 1 -ATOM 2872 C CD1 . PHE B 2 49 ? -29.040 -61.232 -6.680 1.00 62.38 ? 27 PHE B CD1 1 -ATOM 2873 C CD2 . PHE B 2 49 ? -27.911 -62.678 -5.148 1.00 61.01 ? 27 PHE B CD2 1 -ATOM 2874 C CE1 . PHE B 2 49 ? -29.712 -60.611 -5.606 1.00 55.66 ? 27 PHE B CE1 1 -ATOM 2875 C CE2 . PHE B 2 49 ? -28.578 -62.072 -4.075 1.00 51.66 ? 27 PHE B CE2 1 -ATOM 2876 C CZ . PHE B 2 49 ? -29.476 -61.032 -4.307 1.00 53.98 ? 27 PHE B CZ 1 -ATOM 2877 N N . SER B 2 50 ? -24.734 -62.512 -6.350 1.00 55.77 ? 28 SER B N 1 -ATOM 2878 C CA . SER B 2 50 ? -23.995 -62.132 -5.157 1.00 59.97 ? 28 SER B CA 1 -ATOM 2879 C C . SER B 2 50 ? -22.952 -61.076 -5.504 1.00 60.17 ? 28 SER B C 1 -ATOM 2880 O O . SER B 2 50 ? -22.682 -60.191 -4.706 1.00 64.36 ? 28 SER B O 1 -ATOM 2881 C CB . SER B 2 50 ? -23.327 -63.350 -4.499 1.00 63.52 ? 28 SER B CB 1 -ATOM 2882 O OG . SER B 2 50 ? -22.189 -63.783 -5.229 1.00 71.05 ? 28 SER B OG 1 -ATOM 2883 N N . ARG B 2 51 ? -22.395 -61.167 -6.710 1.00 52.02 ? 29 ARG B N 1 -ATOM 2884 C CA . ARG B 2 51 ? -21.342 -60.270 -7.150 1.00 61.63 ? 29 ARG B CA 1 -ATOM 2885 C C . ARG B 2 51 ? -21.873 -58.844 -7.421 1.00 60.69 ? 29 ARG B C 1 -ATOM 2886 O O . ARG B 2 51 ? -21.171 -57.861 -7.200 1.00 55.97 ? 29 ARG B O 1 -ATOM 2887 C CB . ARG B 2 51 ? -20.668 -60.839 -8.405 1.00 51.13 ? 29 ARG B CB 1 -ATOM 2888 C CG . ARG B 2 51 ? -19.362 -60.141 -8.822 1.00 69.85 ? 29 ARG B CG 1 -ATOM 2889 C CD . ARG B 2 51 ? -18.947 -60.466 -10.277 1.00 62.96 ? 29 ARG B CD 1 -ATOM 2890 N NE . ARG B 2 51 ? -17.608 -59.960 -10.602 1.00 54.29 ? 29 ARG B NE 1 -ATOM 2891 N N . TYR B 2 52 ? -23.102 -58.720 -7.904 1.00 56.22 ? 30 TYR B N 1 -ATOM 2892 C CA . TYR B 2 52 ? -23.621 -57.382 -8.117 1.00 61.96 ? 30 TYR B CA 1 -ATOM 2893 C C . TYR B 2 52 ? -23.935 -56.703 -6.794 1.00 61.45 ? 30 TYR B C 1 -ATOM 2894 O O . TYR B 2 52 ? -23.632 -55.525 -6.613 1.00 63.00 ? 30 TYR B O 1 -ATOM 2895 C CB . TYR B 2 52 ? -24.847 -57.401 -9.013 1.00 52.56 ? 30 TYR B CB 1 -ATOM 2896 C CG . TYR B 2 52 ? -25.073 -56.053 -9.654 1.00 65.67 ? 30 TYR B CG 1 -ATOM 2897 C CD1 . TYR B 2 52 ? -24.186 -55.560 -10.609 1.00 64.06 ? 30 TYR B CD1 1 -ATOM 2898 C CD2 . TYR B 2 52 ? -26.161 -55.265 -9.298 1.00 57.04 ? 30 TYR B CD2 1 -ATOM 2899 C CE1 . TYR B 2 52 ? -24.382 -54.326 -11.195 1.00 62.95 ? 30 TYR B CE1 1 -ATOM 2900 C CE2 . TYR B 2 52 ? -26.371 -54.034 -9.880 1.00 59.49 ? 30 TYR B CE2 1 -ATOM 2901 C CZ . TYR B 2 52 ? -25.483 -53.564 -10.827 1.00 67.17 ? 30 TYR B CZ 1 -ATOM 2902 O OH . TYR B 2 52 ? -25.702 -52.332 -11.402 1.00 57.98 ? 30 TYR B OH 1 -ATOM 2903 N N . ILE B 2 53 ? -24.477 -57.466 -5.850 1.00 56.10 ? 31 ILE B N 1 -ATOM 2904 C CA . ILE B 2 53 ? -24.768 -56.944 -4.519 1.00 51.61 ? 31 ILE B CA 1 -ATOM 2905 C C . ILE B 2 53 ? -23.490 -56.406 -3.878 1.00 63.39 ? 31 ILE B C 1 -ATOM 2906 O O . ILE B 2 53 ? -23.511 -55.343 -3.241 1.00 50.90 ? 31 ILE B O 1 -ATOM 2907 C CB . ILE B 2 53 ? -25.425 -58.020 -3.630 1.00 46.17 ? 31 ILE B CB 1 -ATOM 2908 C CG1 . ILE B 2 53 ? -26.787 -58.391 -4.211 1.00 57.78 ? 31 ILE B CG1 1 -ATOM 2909 C CG2 . ILE B 2 53 ? -25.620 -57.538 -2.203 1.00 47.11 ? 31 ILE B CG2 1 -ATOM 2910 C CD1 . ILE B 2 53 ? -27.737 -57.208 -4.391 1.00 51.00 ? 31 ILE B CD1 1 -ATOM 2911 N N . ALA B 2 54 ? -22.381 -57.127 -4.065 1.00 54.08 ? 32 ALA B N 1 -ATOM 2912 C CA . ALA B 2 54 ? -21.082 -56.676 -3.573 1.00 52.11 ? 32 ALA B CA 1 -ATOM 2913 C C . ALA B 2 54 ? -20.629 -55.392 -4.276 1.00 55.29 ? 32 ALA B C 1 -ATOM 2914 O O . ALA B 2 54 ? -20.057 -54.514 -3.645 1.00 60.26 ? 32 ALA B O 1 -ATOM 2915 C CB . ALA B 2 54 ? -20.043 -57.764 -3.751 1.00 66.11 ? 32 ALA B CB 1 -ATOM 2916 N N . TYR B 2 55 ? -20.856 -55.310 -5.586 1.00 51.43 ? 33 TYR B N 1 -ATOM 2917 C CA . TYR B 2 55 ? -20.573 -54.106 -6.370 1.00 55.41 ? 33 TYR B CA 1 -ATOM 2918 C C . TYR B 2 55 ? -21.335 -52.843 -5.920 1.00 61.09 ? 33 TYR B C 1 -ATOM 2919 O O . TYR B 2 55 ? -20.733 -51.780 -5.771 1.00 61.29 ? 33 TYR B O 1 -ATOM 2920 C CB . TYR B 2 55 ? -20.867 -54.362 -7.838 1.00 57.74 ? 33 TYR B CB 1 -ATOM 2921 C CG . TYR B 2 55 ? -20.934 -53.098 -8.657 1.00 63.49 ? 33 TYR B CG 1 -ATOM 2922 C CD1 . TYR B 2 55 ? -19.782 -52.380 -8.949 1.00 67.30 ? 33 TYR B CD1 1 -ATOM 2923 C CD2 . TYR B 2 55 ? -22.141 -52.642 -9.172 1.00 56.37 ? 33 TYR B CD2 1 -ATOM 2924 C CE1 . TYR B 2 55 ? -19.830 -51.221 -9.701 1.00 64.81 ? 33 TYR B CE1 1 -ATOM 2925 C CE2 . TYR B 2 55 ? -22.198 -51.493 -9.935 1.00 65.17 ? 33 TYR B CE2 1 -ATOM 2926 C CZ . TYR B 2 55 ? -21.032 -50.781 -10.194 1.00 67.34 ? 33 TYR B CZ 1 -ATOM 2927 O OH . TYR B 2 55 ? -21.073 -49.628 -10.950 1.00 63.92 ? 33 TYR B OH 1 -ATOM 2928 N N . ILE B 2 56 ? -22.650 -52.935 -5.745 1.00 50.31 ? 34 ILE B N 1 -ATOM 2929 C CA . ILE B 2 56 ? -23.400 -51.751 -5.323 1.00 55.48 ? 34 ILE B CA 1 -ATOM 2930 C C . ILE B 2 56 ? -23.064 -51.363 -3.879 1.00 57.60 ? 34 ILE B C 1 -ATOM 2931 O O . ILE B 2 56 ? -23.215 -50.205 -3.496 1.00 60.68 ? 34 ILE B O 1 -ATOM 2932 C CB . ILE B 2 56 ? -24.946 -51.939 -5.475 1.00 56.88 ? 34 ILE B CB 1 -ATOM 2933 C CG1 . ILE B 2 56 ? -25.498 -52.992 -4.509 1.00 50.41 ? 34 ILE B CG1 1 -ATOM 2934 C CG2 . ILE B 2 56 ? -25.334 -52.295 -6.894 1.00 45.17 ? 34 ILE B CG2 1 -ATOM 2935 C CD1 . ILE B 2 56 ? -26.989 -53.241 -4.709 1.00 49.77 ? 34 ILE B CD1 1 -ATOM 2936 N N . GLU B 2 57 ? -22.547 -52.288 -3.080 1.00 54.13 ? 35 GLU B N 1 -ATOM 2937 C CA . GLU B 2 57 ? -22.142 -51.903 -1.727 1.00 49.58 ? 35 GLU B CA 1 -ATOM 2938 C C . GLU B 2 57 ? -20.818 -51.128 -1.702 1.00 55.24 ? 35 GLU B C 1 -ATOM 2939 O O . GLU B 2 57 ? -20.539 -50.384 -0.758 1.00 53.03 ? 35 GLU B O 1 -ATOM 2940 C CB . GLU B 2 57 ? -22.043 -53.118 -0.826 1.00 46.50 ? 35 GLU B CB 1 -ATOM 2941 C CG . GLU B 2 57 ? -23.388 -53.701 -0.456 1.00 57.24 ? 35 GLU B CG 1 -ATOM 2942 C CD . GLU B 2 57 ? -23.329 -54.416 0.870 1.00 58.75 ? 35 GLU B CD 1 -ATOM 2943 O OE1 . GLU B 2 57 ? -22.197 -54.708 1.303 1.00 65.54 ? 35 GLU B OE1 1 -ATOM 2944 O OE2 . GLU B 2 57 ? -24.393 -54.665 1.488 1.00 59.12 ? 35 GLU B OE2 1 -ATOM 2945 N N . SER B 2 58 ? -19.991 -51.332 -2.716 1.00 50.54 ? 36 SER B N 1 -ATOM 2946 C CA . SER B 2 58 ? -18.782 -50.542 -2.869 1.00 61.77 ? 36 SER B CA 1 -ATOM 2947 C C . SER B 2 58 ? -19.137 -49.160 -3.425 1.00 61.31 ? 36 SER B C 1 -ATOM 2948 O O . SER B 2 58 ? -18.356 -48.212 -3.313 1.00 64.05 ? 36 SER B O 1 -ATOM 2949 C CB . SER B 2 58 ? -17.773 -51.262 -3.768 1.00 50.68 ? 36 SER B CB 1 -ATOM 2950 O OG . SER B 2 58 ? -18.342 -51.549 -5.029 1.00 62.48 ? 36 SER B OG 1 -ATOM 2951 N N . GLN B 2 59 ? -20.321 -49.055 -4.020 1.00 59.91 ? 37 GLN B N 1 -ATOM 2952 C CA . GLN B 2 59 ? -20.844 -47.765 -4.475 1.00 60.40 ? 37 GLN B CA 1 -ATOM 2953 C C . GLN B 2 59 ? -21.616 -47.025 -3.370 1.00 53.10 ? 37 GLN B C 1 -ATOM 2954 O O . GLN B 2 59 ? -22.172 -45.959 -3.616 1.00 56.86 ? 37 GLN B O 1 -ATOM 2955 C CB . GLN B 2 59 ? -21.758 -47.956 -5.692 1.00 58.80 ? 37 GLN B CB 1 -ATOM 2956 C CG . GLN B 2 59 ? -21.177 -48.825 -6.774 1.00 63.28 ? 37 GLN B CG 1 -ATOM 2957 C CD . GLN B 2 59 ? -19.923 -48.246 -7.359 1.00 75.57 ? 37 GLN B CD 1 -ATOM 2958 O OE1 . GLN B 2 59 ? -19.942 -47.157 -7.944 1.00 65.53 ? 37 GLN B OE1 1 -ATOM 2959 N NE2 . GLN B 2 59 ? -18.807 -48.952 -7.180 1.00 74.15 ? 37 GLN B NE2 1 -ATOM 2960 N N . GLY B 2 60 ? -21.666 -47.611 -2.172 1.00 57.38 ? 38 GLY B N 1 -ATOM 2961 C CA . GLY B 2 60 ? -22.356 -47.038 -1.022 1.00 49.11 ? 38 GLY B CA 1 -ATOM 2962 C C . GLY B 2 60 ? -23.876 -47.191 -0.963 1.00 45.98 ? 38 GLY B C 1 -ATOM 2963 O O . GLY B 2 60 ? -24.534 -46.621 -0.088 1.00 43.40 ? 38 GLY B O 1 -ATOM 2964 N N . ALA B 2 61 ? -24.430 -48.000 -1.857 1.00 45.79 ? 39 ALA B N 1 -ATOM 2965 C CA . ALA B 2 61 ? -25.863 -48.284 -1.873 1.00 41.97 ? 39 ALA B CA 1 -ATOM 2966 C C . ALA B 2 61 ? -26.413 -48.714 -0.514 1.00 41.86 ? 39 ALA B C 1 -ATOM 2967 O O . ALA B 2 61 ? -27.583 -48.491 -0.215 1.00 52.47 ? 39 ALA B O 1 -ATOM 2968 C CB . ALA B 2 61 ? -26.173 -49.361 -2.914 1.00 55.59 ? 39 ALA B CB 1 -ATOM 2969 N N . HIS B 2 62 ? -25.592 -49.362 0.299 1.00 45.26 ? 40 HIS B N 1 -ATOM 2970 C CA . HIS B 2 62 ? -26.065 -49.906 1.570 1.00 50.34 ? 40 HIS B CA 1 -ATOM 2971 C C . HIS B 2 62 ? -26.291 -48.822 2.629 1.00 51.09 ? 40 HIS B C 1 -ATOM 2972 O O . HIS B 2 62 ? -26.948 -49.055 3.649 1.00 53.32 ? 40 HIS B O 1 -ATOM 2973 C CB . HIS B 2 62 ? -25.066 -50.928 2.104 1.00 50.77 ? 40 HIS B CB 1 -ATOM 2974 C CG . HIS B 2 62 ? -23.705 -50.356 2.346 1.00 49.03 ? 40 HIS B CG 1 -ATOM 2975 N ND1 . HIS B 2 62 ? -22.865 -49.985 1.323 1.00 48.17 ? 40 HIS B ND1 1 -ATOM 2976 C CD2 . HIS B 2 62 ? -23.044 -50.077 3.495 1.00 60.50 ? 40 HIS B CD2 1 -ATOM 2977 C CE1 . HIS B 2 62 ? -21.734 -49.522 1.828 1.00 49.84 ? 40 HIS B CE1 1 -ATOM 2978 N NE2 . HIS B 2 62 ? -21.820 -49.561 3.145 1.00 49.35 ? 40 HIS B NE2 1 -ATOM 2979 N N . ARG B 2 63 ? -25.708 -47.649 2.416 1.00 50.06 ? 41 ARG B N 1 -ATOM 2980 C CA . ARG B 2 63 ? -25.794 -46.598 3.422 1.00 51.93 ? 41 ARG B CA 1 -ATOM 2981 C C . ARG B 2 63 ? -27.181 -45.950 3.503 1.00 47.21 ? 41 ARG B C 1 -ATOM 2982 O O . ARG B 2 63 ? -27.580 -45.453 4.559 1.00 48.37 ? 41 ARG B O 1 -ATOM 2983 C CB . ARG B 2 63 ? -24.738 -45.547 3.135 1.00 49.58 ? 41 ARG B CB 1 -ATOM 2984 C CG . ARG B 2 63 ? -23.335 -46.107 3.241 1.00 61.10 ? 41 ARG B CG 1 -ATOM 2985 C CD . ARG B 2 63 ? -22.323 -45.013 3.107 1.00 62.01 ? 41 ARG B CD 1 -ATOM 2986 N NE . ARG B 2 63 ? -22.497 -44.041 4.173 1.00 71.08 ? 41 ARG B NE 1 -ATOM 2987 C CZ . ARG B 2 63 ? -21.841 -42.893 4.229 1.00 64.21 ? 41 ARG B CZ 1 -ATOM 2988 N NH1 . ARG B 2 63 ? -20.982 -42.596 3.266 1.00 58.71 ? 41 ARG B NH1 1 -ATOM 2989 N NH2 . ARG B 2 63 ? -22.057 -42.048 5.233 1.00 63.82 ? 41 ARG B NH2 1 -ATOM 2990 N N . ALA B 2 64 ? -27.926 -46.006 2.403 1.00 27.71 ? 42 ALA B N 1 -ATOM 2991 C CA . ALA B 2 64 ? -29.275 -45.454 2.380 1.00 46.31 ? 42 ALA B CA 1 -ATOM 2992 C C . ALA B 2 64 ? -30.252 -46.454 2.968 1.00 47.99 ? 42 ALA B C 1 -ATOM 2993 O O . ALA B 2 64 ? -31.386 -46.091 3.292 1.00 34.29 ? 42 ALA B O 1 -ATOM 2994 C CB . ALA B 2 64 ? -29.687 -45.091 0.968 1.00 40.26 ? 42 ALA B CB 1 -ATOM 2995 N N . GLY B 2 65 ? -29.819 -47.718 3.064 1.00 43.66 ? 43 GLY B N 1 -ATOM 2996 C CA . GLY B 2 65 ? -30.644 -48.784 3.619 1.00 42.74 ? 43 GLY B CA 1 -ATOM 2997 C C . GLY B 2 65 ? -31.497 -49.466 2.564 1.00 44.59 ? 43 GLY B C 1 -ATOM 2998 O O . GLY B 2 65 ? -32.089 -50.523 2.809 1.00 42.17 ? 43 GLY B O 1 -ATOM 2999 N N . LEU B 2 66 ? -31.520 -48.862 1.379 1.00 38.60 ? 44 LEU B N 1 -ATOM 3000 C CA . LEU B 2 66 ? -32.404 -49.256 0.303 1.00 32.62 ? 44 LEU B CA 1 -ATOM 3001 C C . LEU B 2 66 ? -31.845 -48.802 -1.037 1.00 46.86 ? 44 LEU B C 1 -ATOM 3002 O O . LEU B 2 66 ? -31.327 -47.687 -1.162 1.00 45.20 ? 44 LEU B O 1 -ATOM 3003 C CB . LEU B 2 66 ? -33.779 -48.665 0.539 1.00 36.47 ? 44 LEU B CB 1 -ATOM 3004 C CG . LEU B 2 66 ? -34.905 -49.088 -0.381 1.00 39.79 ? 44 LEU B CG 1 -ATOM 3005 C CD1 . LEU B 2 66 ? -35.190 -50.575 -0.228 1.00 48.16 ? 44 LEU B CD1 1 -ATOM 3006 C CD2 . LEU B 2 66 ? -36.137 -48.260 -0.011 1.00 44.92 ? 44 LEU B CD2 1 -ATOM 3007 N N . ALA B 2 67 ? -31.915 -49.683 -2.030 1.00 47.79 ? 45 ALA B N 1 -ATOM 3008 C CA . ALA B 2 67 ? -31.415 -49.398 -3.370 1.00 35.14 ? 45 ALA B CA 1 -ATOM 3009 C C . ALA B 2 67 ? -32.330 -49.989 -4.417 1.00 40.21 ? 45 ALA B C 1 -ATOM 3010 O O . ALA B 2 67 ? -33.023 -50.962 -4.151 1.00 52.00 ? 45 ALA B O 1 -ATOM 3011 C CB . ALA B 2 67 ? -29.986 -49.940 -3.535 1.00 34.55 ? 45 ALA B CB 1 -ATOM 3012 N N . LYS B 2 68 ? -32.370 -49.385 -5.597 1.00 45.26 ? 46 LYS B N 1 -ATOM 3013 C CA . LYS B 2 68 ? -33.146 -49.939 -6.705 1.00 43.43 ? 46 LYS B CA 1 -ATOM 3014 C C . LYS B 2 68 ? -32.275 -50.475 -7.835 1.00 43.81 ? 46 LYS B C 1 -ATOM 3015 O O . LYS B 2 68 ? -31.232 -49.908 -8.149 1.00 49.67 ? 46 LYS B O 1 -ATOM 3016 C CB . LYS B 2 68 ? -34.123 -48.904 -7.258 1.00 35.67 ? 46 LYS B CB 1 -ATOM 3017 C CG . LYS B 2 68 ? -34.801 -49.360 -8.525 1.00 39.30 ? 46 LYS B CG 1 -ATOM 3018 C CD . LYS B 2 68 ? -35.478 -48.211 -9.289 1.00 46.16 ? 46 LYS B CD 1 -ATOM 3019 C CE . LYS B 2 68 ? -36.589 -47.610 -8.469 1.00 34.96 ? 46 LYS B CE 1 -ATOM 3020 N NZ . LYS B 2 68 ? -37.419 -46.639 -9.266 1.00 43.58 ? 46 LYS B NZ 1 -ATOM 3021 N N . VAL B 2 69 ? -32.702 -51.591 -8.419 1.00 47.78 ? 47 VAL B N 1 -ATOM 3022 C CA . VAL B 2 69 ? -32.011 -52.223 -9.529 1.00 40.44 ? 47 VAL B CA 1 -ATOM 3023 C C . VAL B 2 69 ? -32.940 -52.500 -10.706 1.00 51.80 ? 47 VAL B C 1 -ATOM 3024 O O . VAL B 2 69 ? -33.970 -53.181 -10.575 1.00 52.75 ? 47 VAL B O 1 -ATOM 3025 C CB . VAL B 2 69 ? -31.373 -53.537 -9.083 1.00 47.21 ? 47 VAL B CB 1 -ATOM 3026 C CG1 . VAL B 2 69 ? -30.919 -54.335 -10.269 1.00 45.28 ? 47 VAL B CG1 1 -ATOM 3027 C CG2 . VAL B 2 69 ? -30.234 -53.260 -8.134 1.00 46.30 ? 47 VAL B CG2 1 -ATOM 3028 N N . VAL B 2 70 ? -32.567 -51.959 -11.859 1.00 51.66 ? 48 VAL B N 1 -ATOM 3029 C CA . VAL B 2 70 ? -33.332 -52.116 -13.086 1.00 52.14 ? 48 VAL B CA 1 -ATOM 3030 C C . VAL B 2 70 ? -32.630 -53.134 -13.980 1.00 48.74 ? 48 VAL B C 1 -ATOM 3031 O O . VAL B 2 70 ? -31.479 -52.942 -14.397 1.00 51.58 ? 48 VAL B O 1 -ATOM 3032 C CB . VAL B 2 70 ? -33.521 -50.765 -13.838 1.00 49.13 ? 48 VAL B CB 1 -ATOM 3033 C CG1 . VAL B 2 70 ? -34.539 -50.927 -14.943 1.00 51.27 ? 48 VAL B CG1 1 -ATOM 3034 C CG2 . VAL B 2 70 ? -33.988 -49.689 -12.871 1.00 44.96 ? 48 VAL B CG2 1 -ATOM 3035 N N . PRO B 2 71 ? -33.309 -54.253 -14.232 1.00 59.14 ? 49 PRO B N 1 -ATOM 3036 C CA . PRO B 2 71 ? -32.732 -55.351 -15.019 1.00 64.65 ? 49 PRO B CA 1 -ATOM 3037 C C . PRO B 2 71 ? -32.638 -54.992 -16.506 1.00 69.72 ? 49 PRO B C 1 -ATOM 3038 O O . PRO B 2 71 ? -33.359 -54.099 -16.969 1.00 69.55 ? 49 PRO B O 1 -ATOM 3039 C CB . PRO B 2 71 ? -33.703 -56.514 -14.772 1.00 50.10 ? 49 PRO B CB 1 -ATOM 3040 C CG . PRO B 2 71 ? -35.010 -55.838 -14.436 1.00 53.83 ? 49 PRO B CG 1 -ATOM 3041 C CD . PRO B 2 71 ? -34.659 -54.558 -13.725 1.00 51.75 ? 49 PRO B CD 1 -ATOM 3042 N N . PRO B 2 72 ? -31.760 -55.685 -17.251 1.00 71.80 ? 50 PRO B N 1 -ATOM 3043 C CA . PRO B 2 72 ? -31.600 -55.432 -18.688 1.00 66.51 ? 50 PRO B CA 1 -ATOM 3044 C C . PRO B 2 72 ? -32.913 -55.598 -19.447 1.00 70.02 ? 50 PRO B C 1 -ATOM 3045 O O . PRO B 2 72 ? -33.817 -56.275 -18.958 1.00 71.38 ? 50 PRO B O 1 -ATOM 3046 C CB . PRO B 2 72 ? -30.579 -56.494 -19.117 1.00 74.23 ? 50 PRO B CB 1 -ATOM 3047 C CG . PRO B 2 72 ? -29.867 -56.885 -17.849 1.00 68.49 ? 50 PRO B CG 1 -ATOM 3048 C CD . PRO B 2 72 ? -30.896 -56.786 -16.782 1.00 66.72 ? 50 PRO B CD 1 -ATOM 3049 N N . LYS B 2 73 ? -33.044 -54.944 -20.600 1.00 82.44 ? 51 LYS B N 1 -ATOM 3050 C CA . LYS B 2 73 ? -34.265 -55.068 -21.395 1.00 72.75 ? 51 LYS B CA 1 -ATOM 3051 C C . LYS B 2 73 ? -34.404 -56.498 -21.935 1.00 80.92 ? 51 LYS B C 1 -ATOM 3052 O O . LYS B 2 73 ? -35.509 -56.955 -22.253 1.00 80.95 ? 51 LYS B O 1 -ATOM 3053 C CB . LYS B 2 73 ? -34.266 -54.054 -22.536 1.00 61.64 ? 51 LYS B CB 1 -ATOM 3054 N N . GLU B 2 74 ? -33.273 -57.201 -22.011 1.00 77.91 ? 52 GLU B N 1 -ATOM 3055 C CA . GLU B 2 74 ? -33.219 -58.582 -22.493 1.00 73.33 ? 52 GLU B CA 1 -ATOM 3056 C C . GLU B 2 74 ? -33.760 -59.617 -21.498 1.00 84.67 ? 52 GLU B C 1 -ATOM 3057 O O . GLU B 2 74 ? -33.811 -60.809 -21.808 1.00 87.55 ? 52 GLU B O 1 -ATOM 3058 C CB . GLU B 2 74 ? -31.780 -58.954 -22.858 1.00 75.60 ? 52 GLU B CB 1 -ATOM 3059 N N . TRP B 2 75 ? -34.135 -59.175 -20.301 1.00 83.16 ? 53 TRP B N 1 -ATOM 3060 C CA . TRP B 2 75 ? -34.509 -60.100 -19.234 1.00 76.71 ? 53 TRP B CA 1 -ATOM 3061 C C . TRP B 2 75 ? -36.012 -60.063 -18.941 1.00 75.96 ? 53 TRP B C 1 -ATOM 3062 O O . TRP B 2 75 ? -36.636 -59.006 -18.945 1.00 74.26 ? 53 TRP B O 1 -ATOM 3063 C CB . TRP B 2 75 ? -33.708 -59.779 -17.967 1.00 74.62 ? 53 TRP B CB 1 -ATOM 3064 C CG . TRP B 2 75 ? -33.923 -60.729 -16.816 1.00 66.25 ? 53 TRP B CG 1 -ATOM 3065 C CD1 . TRP B 2 75 ? -33.311 -61.930 -16.620 1.00 74.64 ? 53 TRP B CD1 1 -ATOM 3066 C CD2 . TRP B 2 75 ? -34.790 -60.534 -15.691 1.00 68.67 ? 53 TRP B CD2 1 -ATOM 3067 N NE1 . TRP B 2 75 ? -33.750 -62.504 -15.448 1.00 74.98 ? 53 TRP B NE1 1 -ATOM 3068 C CE2 . TRP B 2 75 ? -34.664 -61.669 -14.863 1.00 69.49 ? 53 TRP B CE2 1 -ATOM 3069 C CE3 . TRP B 2 75 ? -35.665 -59.514 -15.307 1.00 60.99 ? 53 TRP B CE3 1 -ATOM 3070 C CZ2 . TRP B 2 75 ? -35.378 -61.812 -13.681 1.00 60.38 ? 53 TRP B CZ2 1 -ATOM 3071 C CZ3 . TRP B 2 75 ? -36.382 -59.666 -14.137 1.00 61.77 ? 53 TRP B CZ3 1 -ATOM 3072 C CH2 . TRP B 2 75 ? -36.229 -60.803 -13.336 1.00 61.76 ? 53 TRP B CH2 1 -ATOM 3073 N N . LYS B 2 76 ? -36.579 -61.234 -18.676 1.00 75.73 ? 54 LYS B N 1 -ATOM 3074 C CA . LYS B 2 76 ? -37.987 -61.375 -18.322 1.00 65.79 ? 54 LYS B CA 1 -ATOM 3075 C C . LYS B 2 76 ? -38.108 -62.659 -17.511 1.00 72.11 ? 54 LYS B C 1 -ATOM 3076 O O . LYS B 2 76 ? -37.565 -63.699 -17.900 1.00 79.82 ? 54 LYS B O 1 -ATOM 3077 C CB . LYS B 2 76 ? -38.880 -61.412 -19.565 1.00 62.84 ? 54 LYS B CB 1 -ATOM 3078 N N . PRO B 2 77 ? -38.781 -62.582 -16.357 1.00 71.17 ? 55 PRO B N 1 -ATOM 3079 C CA . PRO B 2 77 ? -38.831 -63.693 -15.398 1.00 65.31 ? 55 PRO B CA 1 -ATOM 3080 C C . PRO B 2 77 ? -39.923 -64.728 -15.709 1.00 68.12 ? 55 PRO B C 1 -ATOM 3081 O O . PRO B 2 77 ? -39.881 -65.833 -15.185 1.00 66.17 ? 55 PRO B O 1 -ATOM 3082 C CB . PRO B 2 77 ? -39.144 -62.978 -14.079 1.00 62.18 ? 55 PRO B CB 1 -ATOM 3083 C CG . PRO B 2 77 ? -40.016 -61.812 -14.517 1.00 49.08 ? 55 PRO B CG 1 -ATOM 3084 C CD . PRO B 2 77 ? -39.524 -61.398 -15.883 1.00 61.35 ? 55 PRO B CD 1 -ATOM 3085 N N . ARG B 2 78 ? -40.880 -64.352 -16.553 1.00 69.75 ? 56 ARG B N 1 -ATOM 3086 C CA . ARG B 2 78 ? -42.037 -65.175 -16.869 1.00 68.04 ? 56 ARG B CA 1 -ATOM 3087 C C . ARG B 2 78 ? -42.682 -64.719 -18.170 1.00 84.05 ? 56 ARG B C 1 -ATOM 3088 O O . ARG B 2 78 ? -42.717 -63.522 -18.457 1.00 81.46 ? 56 ARG B O 1 -ATOM 3089 C CB . ARG B 2 78 ? -43.068 -65.119 -15.740 1.00 73.88 ? 56 ARG B CB 1 -ATOM 3090 C CG . ARG B 2 78 ? -44.276 -66.020 -15.949 1.00 73.26 ? 56 ARG B CG 1 -ATOM 3091 C CD . ARG B 2 78 ? -45.361 -65.735 -14.941 1.00 66.50 ? 56 ARG B CD 1 -ATOM 3092 N NE . ARG B 2 78 ? -46.507 -66.615 -15.117 1.00 77.95 ? 56 ARG B NE 1 -ATOM 3093 C CZ . ARG B 2 78 ? -46.682 -67.763 -14.471 1.00 86.61 ? 56 ARG B CZ 1 -ATOM 3094 N NH1 . ARG B 2 78 ? -45.779 -68.176 -13.592 1.00 79.66 ? 56 ARG B NH1 1 -ATOM 3095 N NH2 . ARG B 2 78 ? -47.766 -68.495 -14.701 1.00 91.32 ? 56 ARG B NH2 1 -ATOM 3096 N N . ALA B 2 79 ? -43.208 -65.676 -18.935 1.00 88.84 ? 57 ALA B N 1 -ATOM 3097 C CA . ALA B 2 79 ? -43.845 -65.419 -20.227 1.00 79.28 ? 57 ALA B CA 1 -ATOM 3098 C C . ALA B 2 79 ? -44.944 -64.359 -20.167 1.00 75.94 ? 57 ALA B C 1 -ATOM 3099 O O . ALA B 2 79 ? -44.780 -63.272 -20.714 1.00 73.00 ? 57 ALA B O 1 -ATOM 3100 C CB . ALA B 2 79 ? -44.413 -66.714 -20.780 1.00 89.28 ? 57 ALA B CB 1 -ATOM 3101 N N . SER B 2 80 ? -46.065 -64.677 -19.520 1.00 77.85 ? 58 SER B N 1 -ATOM 3102 C CA . SER B 2 80 ? -47.115 -63.681 -19.287 1.00 69.48 ? 58 SER B CA 1 -ATOM 3103 C C . SER B 2 80 ? -47.830 -63.953 -17.974 1.00 71.35 ? 58 SER B C 1 -ATOM 3104 O O . SER B 2 80 ? -47.873 -65.083 -17.498 1.00 83.71 ? 58 SER B O 1 -ATOM 3105 C CB . SER B 2 80 ? -48.145 -63.659 -20.423 1.00 87.20 ? 58 SER B CB 1 -ATOM 3106 O OG . SER B 2 80 ? -49.253 -64.505 -20.131 1.00 91.79 ? 58 SER B OG 1 -ATOM 3107 N N . TYR B 2 81 ? -48.397 -62.910 -17.390 1.00 74.80 ? 59 TYR B N 1 -ATOM 3108 C CA . TYR B 2 81 ? -49.129 -63.068 -16.147 1.00 77.11 ? 59 TYR B CA 1 -ATOM 3109 C C . TYR B 2 81 ? -50.609 -63.168 -16.434 1.00 81.91 ? 59 TYR B C 1 -ATOM 3110 O O . TYR B 2 81 ? -51.395 -62.280 -16.087 1.00 89.99 ? 59 TYR B O 1 -ATOM 3111 C CB . TYR B 2 81 ? -48.824 -61.907 -15.200 1.00 67.14 ? 59 TYR B CB 1 -ATOM 3112 C CG . TYR B 2 81 ? -47.339 -61.719 -14.972 1.00 61.06 ? 59 TYR B CG 1 -ATOM 3113 C CD1 . TYR B 2 81 ? -46.650 -62.544 -14.097 1.00 56.43 ? 59 TYR B CD1 1 -ATOM 3114 C CD2 . TYR B 2 81 ? -46.630 -60.718 -15.623 1.00 67.41 ? 59 TYR B CD2 1 -ATOM 3115 C CE1 . TYR B 2 81 ? -45.291 -62.385 -13.878 1.00 65.75 ? 59 TYR B CE1 1 -ATOM 3116 C CE2 . TYR B 2 81 ? -45.269 -60.547 -15.407 1.00 60.58 ? 59 TYR B CE2 1 -ATOM 3117 C CZ . TYR B 2 81 ? -44.608 -61.381 -14.534 1.00 62.57 ? 59 TYR B CZ 1 -ATOM 3118 O OH . TYR B 2 81 ? -43.261 -61.222 -14.319 1.00 63.35 ? 59 TYR B OH 1 -ATOM 3119 N N . ASP B 2 82 ? -50.978 -64.266 -17.080 1.00 83.53 ? 60 ASP B N 1 -ATOM 3120 C CA . ASP B 2 82 ? -52.350 -64.470 -17.503 1.00 91.00 ? 60 ASP B CA 1 -ATOM 3121 C C . ASP B 2 82 ? -52.872 -65.783 -16.931 1.00 89.92 ? 60 ASP B C 1 -ATOM 3122 O O . ASP B 2 82 ? -54.053 -65.903 -16.588 1.00 86.83 ? 60 ASP B O 1 -ATOM 3123 C CB . ASP B 2 82 ? -52.439 -64.462 -19.035 1.00 78.25 ? 60 ASP B CB 1 -ATOM 3124 N N . ASP B 2 83 ? -51.967 -66.751 -16.791 1.00 88.51 ? 61 ASP B N 1 -ATOM 3125 C CA . ASP B 2 83 ? -52.323 -68.064 -16.254 1.00 92.38 ? 61 ASP B CA 1 -ATOM 3126 C C . ASP B 2 83 ? -52.789 -67.979 -14.803 1.00 87.67 ? 61 ASP B C 1 -ATOM 3127 O O . ASP B 2 83 ? -53.646 -68.739 -14.352 1.00 93.20 ? 61 ASP B O 1 -ATOM 3128 C CB . ASP B 2 83 ? -51.116 -69.009 -16.331 1.00 89.81 ? 61 ASP B CB 1 -ATOM 3129 C CG . ASP B 2 83 ? -50.316 -68.847 -17.617 1.00 100.29 ? 61 ASP B CG 1 -ATOM 3130 O OD1 . ASP B 2 83 ? -50.850 -69.177 -18.699 1.00 102.56 ? 61 ASP B OD1 1 -ATOM 3131 O OD2 . ASP B 2 83 ? -49.150 -68.387 -17.543 1.00 103.21 ? 61 ASP B OD2 1 -ATOM 3132 N N . ILE B 2 84 ? -52.244 -67.000 -14.098 1.00 90.15 ? 62 ILE B N 1 -ATOM 3133 C CA . ILE B 2 84 ? -52.278 -66.962 -12.643 1.00 80.75 ? 62 ILE B CA 1 -ATOM 3134 C C . ILE B 2 84 ? -53.653 -66.615 -12.082 1.00 70.49 ? 62 ILE B C 1 -ATOM 3135 O O . ILE B 2 84 ? -53.852 -66.663 -10.877 1.00 70.91 ? 62 ILE B O 1 -ATOM 3136 C CB . ILE B 2 84 ? -51.227 -65.982 -12.091 1.00 77.08 ? 62 ILE B CB 1 -ATOM 3137 C CG1 . ILE B 2 84 ? -51.683 -64.535 -12.250 1.00 78.96 ? 62 ILE B CG1 1 -ATOM 3138 C CG2 . ILE B 2 84 ? -49.891 -66.207 -12.788 1.00 83.58 ? 62 ILE B CG2 1 -ATOM 3139 C CD1 . ILE B 2 84 ? -50.780 -63.559 -11.537 1.00 76.67 ? 62 ILE B CD1 1 -ATOM 3140 N N . ASP B 2 85 ? -54.576 -66.198 -12.942 1.00 73.23 ? 63 ASP B N 1 -ATOM 3141 C CA . ASP B 2 85 ? -55.892 -65.735 -12.491 1.00 74.16 ? 63 ASP B CA 1 -ATOM 3142 C C . ASP B 2 85 ? -56.625 -66.727 -11.558 1.00 71.84 ? 63 ASP B C 1 -ATOM 3143 O O . ASP B 2 85 ? -57.513 -66.332 -10.804 1.00 72.34 ? 63 ASP B O 1 -ATOM 3144 C CB . ASP B 2 85 ? -56.767 -65.417 -13.710 1.00 72.67 ? 63 ASP B CB 1 -ATOM 3145 N N . ASP B 2 86 ? -56.246 -68.006 -11.613 1.00 74.76 ? 64 ASP B N 1 -ATOM 3146 C CA . ASP B 2 86 ? -56.864 -69.050 -10.791 1.00 81.35 ? 64 ASP B CA 1 -ATOM 3147 C C . ASP B 2 86 ? -56.098 -69.301 -9.476 1.00 83.51 ? 64 ASP B C 1 -ATOM 3148 O O . ASP B 2 86 ? -56.508 -70.126 -8.650 1.00 87.58 ? 64 ASP B O 1 -ATOM 3149 C CB . ASP B 2 86 ? -56.989 -70.355 -11.594 1.00 81.38 ? 64 ASP B CB 1 -ATOM 3150 N N . LEU B 2 87 ? -54.985 -68.594 -9.292 1.00 77.95 ? 65 LEU B N 1 -ATOM 3151 C CA . LEU B 2 87 ? -54.141 -68.745 -8.105 1.00 67.20 ? 65 LEU B CA 1 -ATOM 3152 C C . LEU B 2 87 ? -54.857 -68.280 -6.838 1.00 69.57 ? 65 LEU B C 1 -ATOM 3153 O O . LEU B 2 87 ? -55.582 -67.278 -6.857 1.00 66.81 ? 65 LEU B O 1 -ATOM 3154 C CB . LEU B 2 87 ? -52.840 -67.958 -8.301 1.00 74.17 ? 65 LEU B CB 1 -ATOM 3155 C CG . LEU B 2 87 ? -51.780 -67.824 -7.207 1.00 70.28 ? 65 LEU B CG 1 -ATOM 3156 C CD1 . LEU B 2 87 ? -51.223 -69.165 -6.809 1.00 77.37 ? 65 LEU B CD1 1 -ATOM 3157 C CD2 . LEU B 2 87 ? -50.659 -66.931 -7.691 1.00 69.92 ? 65 LEU B CD2 1 -ATOM 3158 N N . VAL B 2 88 ? -54.668 -69.023 -5.743 1.00 69.31 ? 66 VAL B N 1 -ATOM 3159 C CA . VAL B 2 88 ? -55.342 -68.717 -4.471 1.00 67.89 ? 66 VAL B CA 1 -ATOM 3160 C C . VAL B 2 88 ? -54.477 -67.996 -3.434 1.00 66.87 ? 66 VAL B C 1 -ATOM 3161 O O . VAL B 2 88 ? -53.324 -68.375 -3.192 1.00 66.31 ? 66 VAL B O 1 -ATOM 3162 C CB . VAL B 2 88 ? -55.888 -69.986 -3.775 1.00 70.48 ? 66 VAL B CB 1 -ATOM 3163 C CG1 . VAL B 2 88 ? -56.752 -69.576 -2.594 1.00 48.61 ? 66 VAL B CG1 1 -ATOM 3164 C CG2 . VAL B 2 88 ? -56.678 -70.867 -4.756 1.00 67.20 ? 66 VAL B CG2 1 -ATOM 3165 N N . ILE B 2 89 ? -55.083 -66.986 -2.812 1.00 56.57 ? 67 ILE B N 1 -ATOM 3166 C CA . ILE B 2 89 ? -54.566 -66.263 -1.657 1.00 54.62 ? 67 ILE B CA 1 -ATOM 3167 C C . ILE B 2 89 ? -55.175 -66.800 -0.373 1.00 57.15 ? 67 ILE B C 1 -ATOM 3168 O O . ILE B 2 89 ? -56.328 -66.475 -0.050 1.00 58.25 ? 67 ILE B O 1 -ATOM 3169 C CB . ILE B 2 89 ? -54.911 -64.757 -1.748 1.00 53.91 ? 67 ILE B CB 1 -ATOM 3170 C CG1 . ILE B 2 89 ? -54.403 -64.168 -3.062 1.00 47.59 ? 67 ILE B CG1 1 -ATOM 3171 C CG2 . ILE B 2 89 ? -54.373 -64.009 -0.542 1.00 54.64 ? 67 ILE B CG2 1 -ATOM 3172 C CD1 . ILE B 2 89 ? -55.031 -62.824 -3.399 1.00 59.94 ? 67 ILE B CD1 1 -ATOM 3173 N N . PRO B 2 90 ? -54.413 -67.609 0.378 1.00 52.06 ? 68 PRO B N 1 -ATOM 3174 C CA . PRO B 2 90 ? -55.016 -68.327 1.501 1.00 45.38 ? 68 PRO B CA 1 -ATOM 3175 C C . PRO B 2 90 ? -55.541 -67.406 2.603 1.00 66.41 ? 68 PRO B C 1 -ATOM 3176 O O . PRO B 2 90 ? -56.634 -67.656 3.131 1.00 67.19 ? 68 PRO B O 1 -ATOM 3177 C CB . PRO B 2 90 ? -53.861 -69.191 2.023 1.00 56.65 ? 68 PRO B CB 1 -ATOM 3178 C CG . PRO B 2 90 ? -52.837 -69.181 0.966 1.00 51.01 ? 68 PRO B CG 1 -ATOM 3179 C CD . PRO B 2 90 ? -52.976 -67.883 0.264 1.00 54.98 ? 68 PRO B CD 1 -ATOM 3180 N N . ALA B 2 91 ? -54.815 -66.335 2.926 1.00 62.78 ? 69 ALA B N 1 -ATOM 3181 C CA . ALA B 2 91 ? -55.186 -65.554 4.102 1.00 52.06 ? 69 ALA B CA 1 -ATOM 3182 C C . ALA B 2 91 ? -55.193 -64.043 3.865 1.00 67.09 ? 69 ALA B C 1 -ATOM 3183 O O . ALA B 2 91 ? -54.331 -63.316 4.369 1.00 57.17 ? 69 ALA B O 1 -ATOM 3184 C CB . ALA B 2 91 ? -54.254 -65.903 5.249 1.00 56.82 ? 69 ALA B CB 1 -ATOM 3185 N N . PRO B 2 92 ? -56.210 -63.552 3.148 1.00 64.97 ? 70 PRO B N 1 -ATOM 3186 C CA . PRO B 2 92 ? -56.322 -62.109 2.934 1.00 60.65 ? 70 PRO B CA 1 -ATOM 3187 C C . PRO B 2 92 ? -56.341 -61.357 4.254 1.00 57.29 ? 70 PRO B C 1 -ATOM 3188 O O . PRO B 2 92 ? -56.828 -61.875 5.248 1.00 62.75 ? 70 PRO B O 1 -ATOM 3189 C CB . PRO B 2 92 ? -57.656 -61.963 2.193 1.00 68.46 ? 70 PRO B CB 1 -ATOM 3190 C CG . PRO B 2 92 ? -57.858 -63.269 1.532 1.00 68.56 ? 70 PRO B CG 1 -ATOM 3191 C CD . PRO B 2 92 ? -57.275 -64.296 2.461 1.00 67.52 ? 70 PRO B CD 1 -ATOM 3192 N N . ILE B 2 93 ? -55.748 -60.168 4.262 1.00 63.72 ? 71 ILE B N 1 -ATOM 3193 C CA . ILE B 2 93 ? -55.597 -59.350 5.463 1.00 52.50 ? 71 ILE B CA 1 -ATOM 3194 C C . ILE B 2 93 ? -56.343 -58.030 5.280 1.00 55.62 ? 71 ILE B C 1 -ATOM 3195 O O . ILE B 2 93 ? -56.048 -57.285 4.348 1.00 56.31 ? 71 ILE B O 1 -ATOM 3196 C CB . ILE B 2 93 ? -54.095 -59.070 5.741 1.00 58.72 ? 71 ILE B CB 1 -ATOM 3197 C CG1 . ILE B 2 93 ? -53.395 -60.297 6.345 1.00 66.73 ? 71 ILE B CG1 1 -ATOM 3198 C CG2 . ILE B 2 93 ? -53.910 -57.847 6.610 1.00 56.08 ? 71 ILE B CG2 1 -ATOM 3199 C CD1 . ILE B 2 93 ? -53.887 -60.684 7.714 1.00 69.49 ? 71 ILE B CD1 1 -ATOM 3200 N N . GLN B 2 94 ? -57.307 -57.721 6.134 1.00 53.47 ? 72 GLN B N 1 -ATOM 3201 C CA . GLN B 2 94 ? -57.896 -56.396 6.058 1.00 51.09 ? 72 GLN B CA 1 -ATOM 3202 C C . GLN B 2 94 ? -57.142 -55.463 7.001 1.00 56.48 ? 72 GLN B C 1 -ATOM 3203 O O . GLN B 2 94 ? -57.141 -55.665 8.209 1.00 51.45 ? 72 GLN B O 1 -ATOM 3204 C CB . GLN B 2 94 ? -59.379 -56.391 6.410 1.00 52.73 ? 72 GLN B CB 1 -ATOM 3205 C CG . GLN B 2 94 ? -60.026 -55.015 6.144 1.00 53.76 ? 72 GLN B CG 1 -ATOM 3206 C CD . GLN B 2 94 ? -61.544 -55.010 6.273 1.00 69.36 ? 72 GLN B CD 1 -ATOM 3207 O OE1 . GLN B 2 94 ? -62.105 -55.690 7.139 1.00 66.03 ? 72 GLN B OE1 1 -ATOM 3208 N NE2 . GLN B 2 94 ? -62.220 -54.245 5.398 1.00 58.29 ? 72 GLN B NE2 1 -ATOM 3209 N N . GLN B 2 95 ? -56.508 -54.442 6.434 1.00 58.66 ? 73 GLN B N 1 -ATOM 3210 C CA . GLN B 2 95 ? -55.686 -53.495 7.184 1.00 50.30 ? 73 GLN B CA 1 -ATOM 3211 C C . GLN B 2 95 ? -56.505 -52.331 7.761 1.00 51.97 ? 73 GLN B C 1 -ATOM 3212 O O . GLN B 2 95 ? -56.836 -51.390 7.043 1.00 48.64 ? 73 GLN B O 1 -ATOM 3213 C CB . GLN B 2 95 ? -54.590 -52.936 6.275 1.00 49.70 ? 73 GLN B CB 1 -ATOM 3214 C CG . GLN B 2 95 ? -53.635 -53.979 5.688 1.00 55.44 ? 73 GLN B CG 1 -ATOM 3215 C CD . GLN B 2 95 ? -52.478 -53.341 4.930 1.00 42.29 ? 73 GLN B CD 1 -ATOM 3216 O OE1 . GLN B 2 95 ? -52.627 -52.270 4.359 1.00 56.43 ? 73 GLN B OE1 1 -ATOM 3217 N NE2 . GLN B 2 95 ? -51.333 -54.007 4.908 1.00 52.55 ? 73 GLN B NE2 1 -ATOM 3218 N N . LEU B 2 96 ? -56.811 -52.392 9.054 1.00 52.22 ? 74 LEU B N 1 -ATOM 3219 C CA . LEU B 2 96 ? -57.432 -51.279 9.770 1.00 48.94 ? 74 LEU B CA 1 -ATOM 3220 C C . LEU B 2 96 ? -56.357 -50.444 10.464 1.00 54.68 ? 74 LEU B C 1 -ATOM 3221 O O . LEU B 2 96 ? -55.429 -50.989 11.073 1.00 45.57 ? 74 LEU B O 1 -ATOM 3222 C CB . LEU B 2 96 ? -58.423 -51.771 10.819 1.00 53.69 ? 74 LEU B CB 1 -ATOM 3223 C CG . LEU B 2 96 ? -59.388 -52.910 10.484 1.00 63.53 ? 74 LEU B CG 1 -ATOM 3224 C CD1 . LEU B 2 96 ? -59.803 -53.574 11.777 1.00 50.21 ? 74 LEU B CD1 1 -ATOM 3225 C CD2 . LEU B 2 96 ? -60.596 -52.387 9.760 1.00 60.03 ? 74 LEU B CD2 1 -ATOM 3226 N N . VAL B 2 97 ? -56.472 -49.129 10.328 1.00 48.96 ? 75 VAL B N 1 -ATOM 3227 C CA . VAL B 2 97 ? -55.494 -48.170 10.833 1.00 31.26 ? 75 VAL B CA 1 -ATOM 3228 C C . VAL B 2 97 ? -56.174 -47.164 11.757 1.00 47.88 ? 75 VAL B C 1 -ATOM 3229 O O . VAL B 2 97 ? -57.134 -46.501 11.366 1.00 46.36 ? 75 VAL B O 1 -ATOM 3230 C CB . VAL B 2 97 ? -54.827 -47.419 9.689 1.00 46.86 ? 75 VAL B CB 1 -ATOM 3231 C CG1 . VAL B 2 97 ? -53.943 -46.314 10.227 1.00 45.81 ? 75 VAL B CG1 1 -ATOM 3232 C CG2 . VAL B 2 97 ? -54.056 -48.366 8.815 1.00 43.37 ? 75 VAL B CG2 1 -ATOM 3233 N N . THR B 2 98 ? -55.694 -47.067 12.987 1.00 44.35 ? 76 THR B N 1 -ATOM 3234 C CA . THR B 2 98 ? -56.182 -46.070 13.919 1.00 48.82 ? 76 THR B CA 1 -ATOM 3235 C C . THR B 2 98 ? -55.025 -45.157 14.287 1.00 49.07 ? 76 THR B C 1 -ATOM 3236 O O . THR B 2 98 ? -53.884 -45.621 14.399 1.00 49.89 ? 76 THR B O 1 -ATOM 3237 C CB . THR B 2 98 ? -56.761 -46.708 15.187 1.00 51.05 ? 76 THR B CB 1 -ATOM 3238 O OG1 . THR B 2 98 ? -57.123 -45.686 16.122 1.00 52.40 ? 76 THR B OG1 1 -ATOM 3239 C CG2 . THR B 2 98 ? -55.743 -47.618 15.829 1.00 50.82 ? 76 THR B CG2 1 -ATOM 3240 N N . GLY B 2 99 ? -55.306 -43.874 14.488 1.00 50.14 ? 77 GLY B N 1 -ATOM 3241 C CA . GLY B 2 99 ? -54.285 -42.946 14.952 1.00 43.65 ? 77 GLY B CA 1 -ATOM 3242 C C . GLY B 2 99 ? -54.554 -41.500 14.594 1.00 59.90 ? 77 GLY B C 1 -ATOM 3243 O O . GLY B 2 99 ? -55.646 -41.175 14.122 1.00 48.42 ? 77 GLY B O 1 -ATOM 3244 N N . GLN B 2 100 ? -53.556 -40.638 14.813 1.00 51.36 ? 78 GLN B N 1 -ATOM 3245 C CA . GLN B 2 100 ? -53.667 -39.215 14.482 1.00 49.00 ? 78 GLN B CA 1 -ATOM 3246 C C . GLN B 2 100 ? -52.309 -38.503 14.503 1.00 52.16 ? 78 GLN B C 1 -ATOM 3247 O O . GLN B 2 100 ? -51.313 -39.057 14.988 1.00 48.91 ? 78 GLN B O 1 -ATOM 3248 C CB . GLN B 2 100 ? -54.612 -38.527 15.458 1.00 50.52 ? 78 GLN B CB 1 -ATOM 3249 C CG . GLN B 2 100 ? -54.217 -38.792 16.901 1.00 58.88 ? 78 GLN B CG 1 -ATOM 3250 C CD . GLN B 2 100 ? -55.092 -38.057 17.881 1.00 64.47 ? 78 GLN B CD 1 -ATOM 3251 O OE1 . GLN B 2 100 ? -55.481 -36.914 17.631 1.00 62.67 ? 78 GLN B OE1 1 -ATOM 3252 N NE2 . GLN B 2 100 ? -55.437 -38.715 18.997 1.00 57.59 ? 78 GLN B NE2 1 -ATOM 3253 N N . SER B 2 101 ? -52.284 -37.281 13.971 1.00 50.63 ? 79 SER B N 1 -ATOM 3254 C CA . SER B 2 101 ? -51.088 -36.424 13.999 1.00 49.51 ? 79 SER B CA 1 -ATOM 3255 C C . SER B 2 101 ? -49.857 -37.200 13.523 1.00 56.95 ? 79 SER B C 1 -ATOM 3256 O O . SER B 2 101 ? -48.832 -37.196 14.191 1.00 52.24 ? 79 SER B O 1 -ATOM 3257 C CB . SER B 2 101 ? -50.843 -35.874 15.402 1.00 50.40 ? 79 SER B CB 1 -ATOM 3258 O OG . SER B 2 101 ? -52.038 -35.338 15.953 1.00 70.39 ? 79 SER B OG 1 -ATOM 3259 N N . GLY B 2 102 ? -49.996 -37.918 12.410 1.00 49.09 ? 80 GLY B N 1 -ATOM 3260 C CA . GLY B 2 102 ? -48.899 -38.660 11.817 1.00 46.71 ? 80 GLY B CA 1 -ATOM 3261 C C . GLY B 2 102 ? -48.536 -40.024 12.395 1.00 49.95 ? 80 GLY B C 1 -ATOM 3262 O O . GLY B 2 102 ? -47.785 -40.769 11.767 1.00 44.87 ? 80 GLY B O 1 -ATOM 3263 N N . LEU B 2 103 ? -49.048 -40.345 13.580 1.00 41.95 ? 81 LEU B N 1 -ATOM 3264 C CA . LEU B 2 103 ? -48.718 -41.587 14.265 1.00 42.66 ? 81 LEU B CA 1 -ATOM 3265 C C . LEU B 2 103 ? -49.848 -42.580 14.279 1.00 43.38 ? 81 LEU B C 1 -ATOM 3266 O O . LEU B 2 103 ? -50.824 -42.339 14.973 1.00 48.59 ? 81 LEU B O 1 -ATOM 3267 C CB . LEU B 2 103 ? -48.351 -41.289 15.704 1.00 48.75 ? 81 LEU B CB 1 -ATOM 3268 C CG . LEU B 2 103 ? -47.094 -40.453 15.842 1.00 65.43 ? 81 LEU B CG 1 -ATOM 3269 C CD1 . LEU B 2 103 ? -47.203 -39.583 17.073 1.00 54.59 ? 81 LEU B CD1 1 -ATOM 3270 C CD2 . LEU B 2 103 ? -45.926 -41.428 15.933 1.00 57.54 ? 81 LEU B CD2 1 -ATOM 3271 N N . PHE B 2 104 ? -49.680 -43.718 13.600 1.00 46.15 ? 82 PHE B N 1 -ATOM 3272 C CA . PHE B 2 104 ? -50.770 -44.696 13.413 1.00 40.31 ? 82 PHE B CA 1 -ATOM 3273 C C . PHE B 2 104 ? -50.393 -46.131 13.826 1.00 49.27 ? 82 PHE B C 1 -ATOM 3274 O O . PHE B 2 104 ? -49.223 -46.491 13.859 1.00 48.17 ? 82 PHE B O 1 -ATOM 3275 C CB . PHE B 2 104 ? -51.228 -44.698 11.944 1.00 39.05 ? 82 PHE B CB 1 -ATOM 3276 C CG . PHE B 2 104 ? -51.596 -43.328 11.416 1.00 52.70 ? 82 PHE B CG 1 -ATOM 3277 C CD1 . PHE B 2 104 ? -50.634 -42.499 10.837 1.00 43.75 ? 82 PHE B CD1 1 -ATOM 3278 C CD2 . PHE B 2 104 ? -52.893 -42.858 11.522 1.00 42.87 ? 82 PHE B CD2 1 -ATOM 3279 C CE1 . PHE B 2 104 ? -50.978 -41.241 10.376 1.00 43.51 ? 82 PHE B CE1 1 -ATOM 3280 C CE2 . PHE B 2 104 ? -53.233 -41.596 11.066 1.00 38.93 ? 82 PHE B CE2 1 -ATOM 3281 C CZ . PHE B 2 104 ? -52.274 -40.789 10.496 1.00 44.36 ? 82 PHE B CZ 1 -ATOM 3282 N N . THR B 2 105 ? -51.404 -46.937 14.145 1.00 47.03 ? 83 THR B N 1 -ATOM 3283 C CA . THR B 2 105 ? -51.218 -48.345 14.450 1.00 49.34 ? 83 THR B CA 1 -ATOM 3284 C C . THR B 2 105 ? -52.148 -49.158 13.556 1.00 50.70 ? 83 THR B C 1 -ATOM 3285 O O . THR B 2 105 ? -53.343 -48.885 13.442 1.00 42.35 ? 83 THR B O 1 -ATOM 3286 C CB . THR B 2 105 ? -51.499 -48.680 15.933 1.00 56.30 ? 83 THR B CB 1 -ATOM 3287 O OG1 . THR B 2 105 ? -50.613 -47.937 16.776 1.00 61.04 ? 83 THR B OG1 1 -ATOM 3288 C CG2 . THR B 2 105 ? -51.280 -50.171 16.200 1.00 50.63 ? 83 THR B CG2 1 -ATOM 3289 N N . GLN B 2 106 ? -51.575 -50.153 12.908 1.00 46.55 ? 84 GLN B N 1 -ATOM 3290 C CA . GLN B 2 106 ? -52.267 -50.915 11.902 1.00 46.39 ? 84 GLN B CA 1 -ATOM 3291 C C . GLN B 2 106 ? -52.709 -52.287 12.429 1.00 50.97 ? 84 GLN B C 1 -ATOM 3292 O O . GLN B 2 106 ? -51.881 -53.117 12.767 1.00 49.56 ? 84 GLN B O 1 -ATOM 3293 C CB . GLN B 2 106 ? -51.349 -51.094 10.698 1.00 47.38 ? 84 GLN B CB 1 -ATOM 3294 C CG . GLN B 2 106 ? -51.988 -51.852 9.552 1.00 53.70 ? 84 GLN B CG 1 -ATOM 3295 C CD . GLN B 2 106 ? -51.011 -52.119 8.444 1.00 60.51 ? 84 GLN B CD 1 -ATOM 3296 O OE1 . GLN B 2 106 ? -50.163 -53.011 8.557 1.00 63.07 ? 84 GLN B OE1 1 -ATOM 3297 N NE2 . GLN B 2 106 ? -51.118 -51.357 7.362 1.00 62.23 ? 84 GLN B NE2 1 -ATOM 3298 N N . TYR B 2 107 ? -54.006 -52.551 12.453 1.00 51.93 ? 85 TYR B N 1 -ATOM 3299 C CA . TYR B 2 107 ? -54.468 -53.865 12.892 1.00 47.48 ? 85 TYR B CA 1 -ATOM 3300 C C . TYR B 2 107 ? -54.834 -54.714 11.684 1.00 48.51 ? 85 TYR B C 1 -ATOM 3301 O O . TYR B 2 107 ? -55.741 -54.368 10.933 1.00 54.64 ? 85 TYR B O 1 -ATOM 3302 C CB . TYR B 2 107 ? -55.665 -53.718 13.837 1.00 53.15 ? 85 TYR B CB 1 -ATOM 3303 C CG . TYR B 2 107 ? -55.351 -52.995 15.128 1.00 46.98 ? 85 TYR B CG 1 -ATOM 3304 C CD1 . TYR B 2 107 ? -55.262 -51.612 15.173 1.00 57.19 ? 85 TYR B CD1 1 -ATOM 3305 C CD2 . TYR B 2 107 ? -55.146 -53.696 16.298 1.00 43.02 ? 85 TYR B CD2 1 -ATOM 3306 C CE1 . TYR B 2 107 ? -54.979 -50.951 16.349 1.00 52.25 ? 85 TYR B CE1 1 -ATOM 3307 C CE2 . TYR B 2 107 ? -54.860 -53.046 17.479 1.00 48.26 ? 85 TYR B CE2 1 -ATOM 3308 C CZ . TYR B 2 107 ? -54.776 -51.675 17.501 1.00 62.08 ? 85 TYR B CZ 1 -ATOM 3309 O OH . TYR B 2 107 ? -54.503 -51.026 18.690 1.00 77.25 ? 85 TYR B OH 1 -ATOM 3310 N N . ASN B 2 108 ? -54.177 -55.866 11.550 1.00 55.17 ? 86 ASN B N 1 -ATOM 3311 C CA . ASN B 2 108 ? -54.318 -56.688 10.354 1.00 59.69 ? 86 ASN B CA 1 -ATOM 3312 C C . ASN B 2 108 ? -55.246 -57.914 10.551 1.00 65.94 ? 86 ASN B C 1 -ATOM 3313 O O . ASN B 2 108 ? -54.776 -59.002 10.891 1.00 73.27 ? 86 ASN B O 1 -ATOM 3314 C CB . ASN B 2 108 ? -52.919 -57.135 9.874 1.00 54.79 ? 86 ASN B CB 1 -ATOM 3315 C CG . ASN B 2 108 ? -52.013 -55.945 9.459 1.00 67.88 ? 86 ASN B CG 1 -ATOM 3316 O OD1 . ASN B 2 108 ? -52.168 -55.356 8.377 1.00 54.51 ? 86 ASN B OD1 1 -ATOM 3317 N ND2 . ASN B 2 108 ? -51.048 -55.610 10.318 1.00 77.76 ? 86 ASN B ND2 1 -ATOM 3318 N N . ILE B 2 109 ? -56.551 -57.721 10.323 1.00 57.93 ? 87 ILE B N 1 -ATOM 3319 C CA . ILE B 2 109 ? -57.574 -58.791 10.379 1.00 68.35 ? 87 ILE B CA 1 -ATOM 3320 C C . ILE B 2 109 ? -57.590 -59.827 9.246 1.00 65.52 ? 87 ILE B C 1 -ATOM 3321 O O . ILE B 2 109 ? -57.851 -59.471 8.099 1.00 66.98 ? 87 ILE B O 1 -ATOM 3322 C CB . ILE B 2 109 ? -59.000 -58.241 10.360 1.00 59.70 ? 87 ILE B CB 1 -ATOM 3323 C CG1 . ILE B 2 109 ? -59.306 -57.373 11.563 1.00 71.26 ? 87 ILE B CG1 1 -ATOM 3324 C CG2 . ILE B 2 109 ? -60.021 -59.385 10.323 1.00 67.59 ? 87 ILE B CG2 1 -ATOM 3325 C CD1 . ILE B 2 109 ? -60.687 -56.728 11.405 1.00 74.96 ? 87 ILE B CD1 1 -ATOM 3326 N N . GLN B 2 110 ? -57.385 -61.103 9.569 1.00 72.61 ? 88 GLN B N 1 -ATOM 3327 C CA . GLN B 2 110 ? -57.412 -62.152 8.547 1.00 71.74 ? 88 GLN B CA 1 -ATOM 3328 C C . GLN B 2 110 ? -58.853 -62.410 8.104 1.00 60.75 ? 88 GLN B C 1 -ATOM 3329 O O . GLN B 2 110 ? -59.756 -62.526 8.934 1.00 73.95 ? 88 GLN B O 1 -ATOM 3330 C CB . GLN B 2 110 ? -56.788 -63.453 9.069 1.00 67.37 ? 88 GLN B CB 1 -ATOM 3331 C CG . GLN B 2 110 ? -56.438 -64.481 7.983 1.00 66.72 ? 88 GLN B CG 1 -ATOM 3332 C CD . GLN B 2 110 ? -55.867 -65.794 8.557 1.00 71.76 ? 88 GLN B CD 1 -ATOM 3333 O OE1 . GLN B 2 110 ? -55.131 -65.781 9.542 1.00 70.67 ? 88 GLN B OE1 1 -ATOM 3334 N NE2 . GLN B 2 110 ? -56.160 -66.918 7.897 1.00 58.13 ? 88 GLN B NE2 1 -ATOM 3335 N N . LYS B 2 111 ? -59.065 -62.425 6.790 1.00 58.19 ? 89 LYS B N 1 -ATOM 3336 C CA . LYS B 2 111 ? -60.362 -62.737 6.194 1.00 64.23 ? 89 LYS B CA 1 -ATOM 3337 C C . LYS B 2 111 ? -60.353 -64.098 5.487 1.00 69.22 ? 89 LYS B C 1 -ATOM 3338 O O . LYS B 2 111 ? -59.381 -64.859 5.596 1.00 65.06 ? 89 LYS B O 1 -ATOM 3339 C CB . LYS B 2 111 ? -60.785 -61.630 5.241 1.00 55.67 ? 89 LYS B CB 1 -ATOM 3340 C CG . LYS B 2 111 ? -61.027 -60.321 5.983 1.00 69.18 ? 89 LYS B CG 1 -ATOM 3341 C CD . LYS B 2 111 ? -62.120 -59.464 5.340 1.00 75.10 ? 89 LYS B CD 1 -ATOM 3342 C CE . LYS B 2 111 ? -63.470 -60.169 5.374 1.00 73.13 ? 89 LYS B CE 1 -ATOM 3343 N NZ . LYS B 2 111 ? -64.598 -59.264 5.013 1.00 85.53 ? 89 LYS B NZ 1 -ATOM 3344 N N . LYS B 2 112 ? -61.422 -64.412 4.756 1.00 67.98 ? 90 LYS B N 1 -ATOM 3345 C CA . LYS B 2 112 ? -61.508 -65.737 4.142 1.00 76.84 ? 90 LYS B CA 1 -ATOM 3346 C C . LYS B 2 112 ? -60.851 -65.750 2.765 1.00 77.03 ? 90 LYS B C 1 -ATOM 3347 O O . LYS B 2 112 ? -60.823 -64.730 2.061 1.00 75.79 ? 90 LYS B O 1 -ATOM 3348 C CB . LYS B 2 112 ? -62.973 -66.193 4.024 1.00 59.21 ? 90 LYS B CB 1 -ATOM 3349 N N . ALA B 2 113 ? -60.331 -66.918 2.395 1.00 67.95 ? 91 ALA B N 1 -ATOM 3350 C CA . ALA B 2 113 ? -59.533 -67.086 1.184 1.00 63.16 ? 91 ALA B CA 1 -ATOM 3351 C C . ALA B 2 113 ? -60.278 -66.638 -0.067 1.00 66.05 ? 91 ALA B C 1 -ATOM 3352 O O . ALA B 2 113 ? -61.509 -66.617 -0.102 1.00 63.37 ? 91 ALA B O 1 -ATOM 3353 C CB . ALA B 2 113 ? -59.082 -68.532 1.039 1.00 55.90 ? 91 ALA B CB 1 -ATOM 3354 N N . MET B 2 114 ? -59.513 -66.286 -1.096 1.00 73.56 ? 92 MET B N 1 -ATOM 3355 C CA . MET B 2 114 ? -60.070 -65.824 -2.361 1.00 60.88 ? 92 MET B CA 1 -ATOM 3356 C C . MET B 2 114 ? -59.047 -66.043 -3.466 1.00 61.06 ? 92 MET B C 1 -ATOM 3357 O O . MET B 2 114 ? -57.924 -66.484 -3.201 1.00 60.79 ? 92 MET B O 1 -ATOM 3358 C CB . MET B 2 114 ? -60.511 -64.351 -2.268 1.00 53.63 ? 92 MET B CB 1 -ATOM 3359 C CG . MET B 2 114 ? -59.406 -63.296 -2.127 1.00 74.24 ? 92 MET B CG 1 -ATOM 3360 S SD . MET B 2 114 ? -60.045 -61.580 -1.985 1.00 67.85 ? 92 MET B SD 1 -ATOM 3361 C CE . MET B 2 114 ? -60.740 -61.553 -0.332 1.00 64.73 ? 92 MET B CE 1 -ATOM 3362 N N . THR B 2 115 ? -59.449 -65.817 -4.711 1.00 64.91 ? 93 THR B N 1 -ATOM 3363 C CA . THR B 2 115 ? -58.530 -66.014 -5.833 1.00 79.68 ? 93 THR B CA 1 -ATOM 3364 C C . THR B 2 115 ? -57.917 -64.686 -6.299 1.00 77.61 ? 93 THR B C 1 -ATOM 3365 O O . THR B 2 115 ? -58.385 -63.615 -5.910 1.00 71.91 ? 93 THR B O 1 -ATOM 3366 C CB . THR B 2 115 ? -59.245 -66.657 -7.026 1.00 73.88 ? 93 THR B CB 1 -ATOM 3367 O OG1 . THR B 2 115 ? -60.287 -65.774 -7.468 1.00 69.46 ? 93 THR B OG1 1 -ATOM 3368 C CG2 . THR B 2 115 ? -59.855 -67.983 -6.625 1.00 66.84 ? 93 THR B CG2 1 -ATOM 3369 N N . VAL B 2 116 ? -56.908 -64.763 -7.167 1.00 71.23 ? 94 VAL B N 1 -ATOM 3370 C CA . VAL B 2 116 ? -56.349 -63.572 -7.791 1.00 72.63 ? 94 VAL B CA 1 -ATOM 3371 C C . VAL B 2 116 ? -57.398 -62.894 -8.658 1.00 76.78 ? 94 VAL B C 1 -ATOM 3372 O O . VAL B 2 116 ? -57.500 -61.663 -8.682 1.00 72.98 ? 94 VAL B O 1 -ATOM 3373 C CB . VAL B 2 116 ? -55.125 -63.919 -8.654 1.00 73.14 ? 94 VAL B CB 1 -ATOM 3374 C CG1 . VAL B 2 116 ? -54.777 -62.777 -9.622 1.00 77.45 ? 94 VAL B CG1 1 -ATOM 3375 C CG2 . VAL B 2 116 ? -53.954 -64.318 -7.779 1.00 61.76 ? 94 VAL B CG2 1 -ATOM 3376 N N A ARG B 2 117 ? -58.202 -63.703 -9.343 0.51 76.36 ? 95 ARG B N 1 -ATOM 3377 N N B ARG B 2 117 ? -58.168 -63.711 -9.372 0.49 76.34 ? 95 ARG B N 1 -ATOM 3378 C CA A ARG B 2 117 ? -59.297 -63.191 -10.163 0.51 76.56 ? 95 ARG B CA 1 -ATOM 3379 C CA B ARG B 2 117 ? -59.308 -63.241 -10.157 0.49 76.56 ? 95 ARG B CA 1 -ATOM 3380 C C A ARG B 2 117 ? -60.300 -62.461 -9.278 0.51 71.92 ? 95 ARG B C 1 -ATOM 3381 C C B ARG B 2 117 ? -60.284 -62.469 -9.278 0.49 71.92 ? 95 ARG B C 1 -ATOM 3382 O O A ARG B 2 117 ? -60.823 -61.412 -9.651 0.51 76.90 ? 95 ARG B O 1 -ATOM 3383 O O B ARG B 2 117 ? -60.773 -61.406 -9.654 0.49 76.88 ? 95 ARG B O 1 -ATOM 3384 C CB A ARG B 2 117 ? -59.979 -64.333 -10.937 0.51 74.93 ? 95 ARG B CB 1 -ATOM 3385 C CB B ARG B 2 117 ? -60.017 -64.428 -10.822 0.49 74.86 ? 95 ARG B CB 1 -ATOM 3386 C CG A ARG B 2 117 ? -61.142 -63.904 -11.841 0.51 74.76 ? 95 ARG B CG 1 -ATOM 3387 C CG B ARG B 2 117 ? -61.076 -64.063 -11.860 0.49 74.82 ? 95 ARG B CG 1 -ATOM 3388 C CD A ARG B 2 117 ? -61.779 -65.109 -12.547 0.51 72.57 ? 95 ARG B CD 1 -ATOM 3389 C CD B ARG B 2 117 ? -61.744 -65.316 -12.441 0.49 72.40 ? 95 ARG B CD 1 -ATOM 3390 N NE A ARG B 2 117 ? -61.209 -65.356 -13.872 0.51 69.74 ? 95 ARG B NE 1 -ATOM 3391 N NE B ARG B 2 117 ? -60.765 -66.262 -12.976 0.49 67.75 ? 95 ARG B NE 1 -ATOM 3392 C CZ A ARG B 2 117 ? -61.827 -65.063 -15.013 0.51 67.14 ? 95 ARG B CZ 1 -ATOM 3393 C CZ B ARG B 2 117 ? -60.354 -67.355 -12.338 0.49 66.03 ? 95 ARG B CZ 1 -ATOM 3394 N NH1 A ARG B 2 117 ? -63.037 -64.526 -14.987 0.51 74.68 ? 95 ARG B NH1 1 -ATOM 3395 N NH1 B ARG B 2 117 ? -60.842 -67.652 -11.141 0.49 58.74 ? 95 ARG B NH1 1 -ATOM 3396 N NH2 A ARG B 2 117 ? -61.246 -65.314 -16.177 0.51 64.19 ? 95 ARG B NH2 1 -ATOM 3397 N NH2 B ARG B 2 117 ? -59.454 -68.150 -12.899 0.49 63.45 ? 95 ARG B NH2 1 -ATOM 3398 N N . GLU B 2 118 ? -60.557 -63.021 -8.101 1.00 74.81 ? 96 GLU B N 1 -ATOM 3399 C CA . GLU B 2 118 ? -61.484 -62.422 -7.146 1.00 76.54 ? 96 GLU B CA 1 -ATOM 3400 C C . GLU B 2 118 ? -60.921 -61.128 -6.581 1.00 77.33 ? 96 GLU B C 1 -ATOM 3401 O O . GLU B 2 118 ? -61.629 -60.134 -6.454 1.00 70.51 ? 96 GLU B O 1 -ATOM 3402 C CB . GLU B 2 118 ? -61.788 -63.393 -6.007 1.00 68.52 ? 96 GLU B CB 1 -ATOM 3403 N N . PHE B 2 119 ? -59.648 -61.178 -6.199 1.00 73.62 ? 97 PHE B N 1 -ATOM 3404 C CA . PHE B 2 119 ? -58.947 -60.032 -5.626 1.00 72.01 ? 97 PHE B CA 1 -ATOM 3405 C C . PHE B 2 119 ? -58.867 -58.849 -6.590 1.00 75.44 ? 97 PHE B C 1 -ATOM 3406 O O . PHE B 2 119 ? -59.205 -57.721 -6.208 1.00 67.57 ? 97 PHE B O 1 -ATOM 3407 C CB . PHE B 2 119 ? -57.541 -60.451 -5.195 1.00 73.13 ? 97 PHE B CB 1 -ATOM 3408 C CG . PHE B 2 119 ? -56.791 -59.397 -4.425 1.00 68.35 ? 97 PHE B CG 1 -ATOM 3409 C CD1 . PHE B 2 119 ? -57.146 -59.079 -3.128 1.00 69.79 ? 97 PHE B CD1 1 -ATOM 3410 C CD2 . PHE B 2 119 ? -55.716 -58.740 -4.997 1.00 64.56 ? 97 PHE B CD2 1 -ATOM 3411 C CE1 . PHE B 2 119 ? -56.450 -58.117 -2.419 1.00 58.96 ? 97 PHE B CE1 1 -ATOM 3412 C CE2 . PHE B 2 119 ? -55.022 -57.771 -4.291 1.00 64.65 ? 97 PHE B CE2 1 -ATOM 3413 C CZ . PHE B 2 119 ? -55.392 -57.460 -3.003 1.00 50.11 ? 97 PHE B CZ 1 -ATOM 3414 N N . ARG B 2 120 ? -58.449 -59.112 -7.834 1.00 71.89 ? 98 ARG B N 1 -ATOM 3415 C CA . ARG B 2 120 ? -58.306 -58.052 -8.833 1.00 71.69 ? 98 ARG B CA 1 -ATOM 3416 C C . ARG B 2 120 ? -59.615 -57.336 -9.096 1.00 67.10 ? 98 ARG B C 1 -ATOM 3417 O O . ARG B 2 120 ? -59.632 -56.137 -9.353 1.00 72.74 ? 98 ARG B O 1 -ATOM 3418 C CB . ARG B 2 120 ? -57.780 -58.592 -10.165 1.00 74.77 ? 98 ARG B CB 1 -ATOM 3419 C CG . ARG B 2 120 ? -57.497 -57.469 -11.167 1.00 76.52 ? 98 ARG B CG 1 -ATOM 3420 C CD . ARG B 2 120 ? -57.394 -57.928 -12.608 1.00 69.92 ? 98 ARG B CD 1 -ATOM 3421 N NE . ARG B 2 120 ? -56.652 -59.172 -12.771 1.00 75.18 ? 98 ARG B NE 1 -ATOM 3422 C CZ . ARG B 2 120 ? -57.227 -60.341 -13.036 1.00 76.97 ? 98 ARG B CZ 1 -ATOM 3423 N NH1 . ARG B 2 120 ? -58.546 -60.413 -13.162 1.00 75.32 ? 98 ARG B NH1 1 -ATOM 3424 N NH2 . ARG B 2 120 ? -56.489 -61.433 -13.181 1.00 78.26 ? 98 ARG B NH2 1 -ATOM 3425 N N . LYS B 2 121 ? -60.717 -58.068 -9.016 1.00 70.00 ? 99 LYS B N 1 -ATOM 3426 C CA . LYS B 2 121 ? -62.015 -57.457 -9.243 1.00 68.90 ? 99 LYS B CA 1 -ATOM 3427 C C . LYS B 2 121 ? -62.294 -56.406 -8.171 1.00 65.72 ? 99 LYS B C 1 -ATOM 3428 O O . LYS B 2 121 ? -62.792 -55.324 -8.474 1.00 71.70 ? 99 LYS B O 1 -ATOM 3429 C CB . LYS B 2 121 ? -63.121 -58.519 -9.291 1.00 76.57 ? 99 LYS B CB 1 -ATOM 3430 C CG . LYS B 2 121 ? -63.450 -59.015 -10.706 1.00 63.26 ? 99 LYS B CG 1 -ATOM 3431 N N . ILE B 2 122 ? -61.982 -56.728 -6.919 1.00 71.66 ? 100 ILE B N 1 -ATOM 3432 C CA . ILE B 2 122 ? -62.223 -55.809 -5.801 1.00 69.97 ? 100 ILE B CA 1 -ATOM 3433 C C . ILE B 2 122 ? -61.211 -54.640 -5.729 1.00 75.07 ? 100 ILE B C 1 -ATOM 3434 O O . ILE B 2 122 ? -61.532 -53.550 -5.232 1.00 61.88 ? 100 ILE B O 1 -ATOM 3435 C CB . ILE B 2 122 ? -62.191 -56.566 -4.465 1.00 72.12 ? 100 ILE B CB 1 -ATOM 3436 C CG1 . ILE B 2 122 ? -62.925 -57.904 -4.592 1.00 76.18 ? 100 ILE B CG1 1 -ATOM 3437 C CG2 . ILE B 2 122 ? -62.768 -55.707 -3.348 1.00 67.67 ? 100 ILE B CG2 1 -ATOM 3438 C CD1 . ILE B 2 122 ? -62.866 -58.750 -3.346 1.00 74.83 ? 100 ILE B CD1 1 -ATOM 3439 N N . ALA B 2 123 ? -59.989 -54.877 -6.212 1.00 65.65 ? 101 ALA B N 1 -ATOM 3440 C CA . ALA B 2 123 ? -58.947 -53.850 -6.179 1.00 70.48 ? 101 ALA B CA 1 -ATOM 3441 C C . ALA B 2 123 ? -59.255 -52.752 -7.177 1.00 71.21 ? 101 ALA B C 1 -ATOM 3442 O O . ALA B 2 123 ? -59.076 -51.572 -6.888 1.00 77.06 ? 101 ALA B O 1 -ATOM 3443 C CB . ALA B 2 123 ? -57.579 -54.463 -6.476 1.00 62.10 ? 101 ALA B CB 1 -ATOM 3444 N N . ASN B 2 124 ? -59.776 -53.161 -8.333 1.00 80.26 ? 102 ASN B N 1 -ATOM 3445 C CA . ASN B 2 124 ? -60.094 -52.256 -9.425 1.00 73.28 ? 102 ASN B CA 1 -ATOM 3446 C C . ASN B 2 124 ? -61.544 -51.788 -9.326 1.00 71.94 ? 102 ASN B C 1 -ATOM 3447 O O . ASN B 2 124 ? -61.980 -50.923 -10.089 1.00 69.74 ? 102 ASN B O 1 -ATOM 3448 C CB . ASN B 2 124 ? -59.828 -52.931 -10.771 1.00 63.75 ? 102 ASN B CB 1 -ATOM 3449 C CG . ASN B 2 124 ? -58.351 -53.194 -11.008 1.00 78.50 ? 102 ASN B CG 1 -ATOM 3450 O OD1 . ASN B 2 124 ? -57.492 -52.424 -10.569 1.00 81.27 ? 102 ASN B OD1 1 -ATOM 3451 N ND2 . ASN B 2 124 ? -58.047 -54.282 -11.711 1.00 77.72 ? 102 ASN B ND2 1 -ATOM 3452 N N . SER B 2 125 ? -62.279 -52.379 -8.381 1.00 75.02 ? 103 SER B N 1 -ATOM 3453 C CA . SER B 2 125 ? -63.602 -51.893 -7.977 1.00 72.41 ? 103 SER B CA 1 -ATOM 3454 C C . SER B 2 125 ? -63.596 -50.392 -7.717 1.00 68.68 ? 103 SER B C 1 -ATOM 3455 O O . SER B 2 125 ? -62.564 -49.829 -7.373 1.00 74.31 ? 103 SER B O 1 -ATOM 3456 C CB . SER B 2 125 ? -64.075 -52.611 -6.719 1.00 68.17 ? 103 SER B CB 1 -ATOM 3457 O OG . SER B 2 125 ? -64.865 -51.737 -5.924 1.00 78.54 ? 103 SER B OG 1 -ATOM 3458 N N . ASP B 2 126 ? -64.748 -49.747 -7.847 1.00 71.92 ? 104 ASP B N 1 -ATOM 3459 C CA . ASP B 2 126 ? -64.801 -48.290 -7.728 1.00 82.71 ? 104 ASP B CA 1 -ATOM 3460 C C . ASP B 2 126 ? -64.587 -47.758 -6.304 1.00 81.90 ? 104 ASP B C 1 -ATOM 3461 O O . ASP B 2 126 ? -64.265 -46.585 -6.126 1.00 90.84 ? 104 ASP B O 1 -ATOM 3462 C CB . ASP B 2 126 ? -66.139 -47.762 -8.272 1.00 66.06 ? 104 ASP B CB 1 -ATOM 3463 N N . LYS B 2 127 ? -64.738 -48.601 -5.291 1.00 82.01 ? 105 LYS B N 1 -ATOM 3464 C CA . LYS B 2 127 ? -64.599 -48.096 -3.929 1.00 84.28 ? 105 LYS B CA 1 -ATOM 3465 C C . LYS B 2 127 ? -63.170 -48.319 -3.396 1.00 80.76 ? 105 LYS B C 1 -ATOM 3466 O O . LYS B 2 127 ? -62.784 -47.754 -2.365 1.00 76.04 ? 105 LYS B O 1 -ATOM 3467 C CB . LYS B 2 127 ? -65.636 -48.737 -3.002 1.00 81.35 ? 105 LYS B CB 1 -ATOM 3468 C CG . LYS B 2 127 ? -65.659 -48.110 -1.622 1.00 74.68 ? 105 LYS B CG 1 -ATOM 3469 C CD . LYS B 2 127 ? -66.239 -49.031 -0.574 1.00 88.34 ? 105 LYS B CD 1 -ATOM 3470 C CE . LYS B 2 127 ? -65.941 -48.456 0.803 1.00 83.82 ? 105 LYS B CE 1 -ATOM 3471 N NZ . LYS B 2 127 ? -66.553 -49.163 1.956 1.00 79.40 ? 105 LYS B NZ 1 -ATOM 3472 N N . TYR B 2 128 ? -62.386 -49.136 -4.099 1.00 69.93 ? 106 TYR B N 1 -ATOM 3473 C CA . TYR B 2 128 ? -61.023 -49.431 -3.657 1.00 68.69 ? 106 TYR B CA 1 -ATOM 3474 C C . TYR B 2 128 ? -59.949 -49.008 -4.669 1.00 72.60 ? 106 TYR B C 1 -ATOM 3475 O O . TYR B 2 128 ? -58.749 -49.121 -4.394 1.00 65.90 ? 106 TYR B O 1 -ATOM 3476 C CB . TYR B 2 128 ? -60.881 -50.935 -3.343 1.00 71.67 ? 106 TYR B CB 1 -ATOM 3477 C CG . TYR B 2 128 ? -61.719 -51.355 -2.153 1.00 78.64 ? 106 TYR B CG 1 -ATOM 3478 C CD1 . TYR B 2 128 ? -61.817 -50.536 -1.031 1.00 71.34 ? 106 TYR B CD1 1 -ATOM 3479 C CD2 . TYR B 2 128 ? -62.457 -52.535 -2.172 1.00 72.50 ? 106 TYR B CD2 1 -ATOM 3480 C CE1 . TYR B 2 128 ? -62.594 -50.883 0.048 1.00 72.77 ? 106 TYR B CE1 1 -ATOM 3481 C CE2 . TYR B 2 128 ? -63.248 -52.895 -1.090 1.00 78.67 ? 106 TYR B CE2 1 -ATOM 3482 C CZ . TYR B 2 128 ? -63.314 -52.060 0.018 1.00 87.22 ? 106 TYR B CZ 1 -ATOM 3483 O OH . TYR B 2 128 ? -64.093 -52.396 1.105 1.00 84.45 ? 106 TYR B OH 1 -ATOM 3484 N N . CYS B 2 129 ? -60.359 -48.519 -5.835 1.00 67.96 ? 107 CYS B N 1 -ATOM 3485 C CA . CYS B 2 129 ? -59.370 -48.214 -6.866 1.00 69.47 ? 107 CYS B CA 1 -ATOM 3486 C C . CYS B 2 129 ? -58.607 -46.928 -6.520 1.00 66.43 ? 107 CYS B C 1 -ATOM 3487 O O . CYS B 2 129 ? -59.052 -46.113 -5.685 1.00 49.49 ? 107 CYS B O 1 -ATOM 3488 C CB . CYS B 2 129 ? -60.020 -48.107 -8.258 1.00 63.55 ? 107 CYS B CB 1 -ATOM 3489 S SG . CYS B 2 129 ? -61.225 -46.759 -8.509 1.00 82.31 ? 107 CYS B SG 1 -ATOM 3490 N N . THR B 2 130 ? -57.463 -46.762 -7.181 1.00 59.15 ? 108 THR B N 1 -ATOM 3491 C CA . THR B 2 130 ? -56.627 -45.576 -7.021 1.00 55.57 ? 108 THR B CA 1 -ATOM 3492 C C . THR B 2 130 ? -57.415 -44.335 -7.386 1.00 62.02 ? 108 THR B C 1 -ATOM 3493 O O . THR B 2 130 ? -58.131 -44.328 -8.392 1.00 71.91 ? 108 THR B O 1 -ATOM 3494 C CB . THR B 2 130 ? -55.402 -45.646 -7.924 1.00 57.26 ? 108 THR B CB 1 -ATOM 3495 O OG1 . THR B 2 130 ? -54.919 -46.996 -7.974 1.00 57.05 ? 108 THR B OG1 1 -ATOM 3496 C CG2 . THR B 2 130 ? -54.313 -44.670 -7.448 1.00 53.34 ? 108 THR B CG2 1 -ATOM 3497 N N . PRO B 2 131 ? -57.283 -43.273 -6.581 1.00 64.39 ? 109 PRO B N 1 -ATOM 3498 C CA . PRO B 2 131 ? -57.918 -41.984 -6.902 1.00 65.90 ? 109 PRO B CA 1 -ATOM 3499 C C . PRO B 2 131 ? -57.181 -41.269 -8.036 1.00 61.51 ? 109 PRO B C 1 -ATOM 3500 O O . PRO B 2 131 ? -56.065 -41.656 -8.359 1.00 71.96 ? 109 PRO B O 1 -ATOM 3501 C CB . PRO B 2 131 ? -57.812 -41.196 -5.587 1.00 57.49 ? 109 PRO B CB 1 -ATOM 3502 C CG . PRO B 2 131 ? -57.562 -42.226 -4.529 1.00 62.07 ? 109 PRO B CG 1 -ATOM 3503 C CD . PRO B 2 131 ? -56.753 -43.296 -5.209 1.00 61.13 ? 109 PRO B CD 1 -ATOM 3504 N N . ARG B 2 132 ? -57.791 -40.257 -8.644 1.00 73.32 ? 110 ARG B N 1 -ATOM 3505 C CA . ARG B 2 132 ? -57.125 -39.542 -9.731 1.00 77.11 ? 110 ARG B CA 1 -ATOM 3506 C C . ARG B 2 132 ? -56.097 -38.590 -9.145 1.00 76.78 ? 110 ARG B C 1 -ATOM 3507 O O . ARG B 2 132 ? -56.269 -38.101 -8.025 1.00 73.02 ? 110 ARG B O 1 -ATOM 3508 C CB . ARG B 2 132 ? -58.134 -38.777 -10.593 1.00 68.36 ? 110 ARG B CB 1 -ATOM 3509 N N . TYR B 2 133 ? -55.023 -38.338 -9.890 1.00 80.97 ? 111 TYR B N 1 -ATOM 3510 C CA . TYR B 2 133 ? -53.955 -37.471 -9.394 1.00 81.11 ? 111 TYR B CA 1 -ATOM 3511 C C . TYR B 2 133 ? -53.051 -36.950 -10.502 1.00 85.42 ? 111 TYR B C 1 -ATOM 3512 O O . TYR B 2 133 ? -52.965 -37.542 -11.583 1.00 88.50 ? 111 TYR B O 1 -ATOM 3513 C CB . TYR B 2 133 ? -53.108 -38.216 -8.356 1.00 74.63 ? 111 TYR B CB 1 -ATOM 3514 C CG . TYR B 2 133 ? -52.348 -39.421 -8.876 1.00 69.38 ? 111 TYR B CG 1 -ATOM 3515 C CD1 . TYR B 2 133 ? -53.003 -40.617 -9.153 1.00 72.99 ? 111 TYR B CD1 1 -ATOM 3516 C CD2 . TYR B 2 133 ? -50.966 -39.383 -9.020 1.00 75.45 ? 111 TYR B CD2 1 -ATOM 3517 C CE1 . TYR B 2 133 ? -52.311 -41.725 -9.600 1.00 72.47 ? 111 TYR B CE1 1 -ATOM 3518 C CE2 . TYR B 2 133 ? -50.262 -40.488 -9.465 1.00 73.02 ? 111 TYR B CE2 1 -ATOM 3519 C CZ . TYR B 2 133 ? -50.942 -41.655 -9.753 1.00 69.59 ? 111 TYR B CZ 1 -ATOM 3520 O OH . TYR B 2 133 ? -50.255 -42.753 -10.199 1.00 74.95 ? 111 TYR B OH 1 -ATOM 3521 N N . SER B 2 134 ? -52.362 -35.847 -10.216 1.00 80.75 ? 112 SER B N 1 -ATOM 3522 C CA . SER B 2 134 ? -51.384 -35.302 -11.146 1.00 81.23 ? 112 SER B CA 1 -ATOM 3523 C C . SER B 2 134 ? -50.037 -35.979 -10.886 1.00 84.55 ? 112 SER B C 1 -ATOM 3524 O O . SER B 2 134 ? -49.721 -37.004 -11.497 1.00 83.06 ? 112 SER B O 1 -ATOM 3525 C CB . SER B 2 134 ? -51.279 -33.775 -11.002 1.00 69.94 ? 112 SER B CB 1 -ATOM 3526 N N . GLU B 2 135 ? -49.251 -35.391 -9.983 1.00 84.99 ? 113 GLU B N 1 -ATOM 3527 C CA . GLU B 2 135 ? -47.957 -35.936 -9.573 1.00 67.92 ? 113 GLU B CA 1 -ATOM 3528 C C . GLU B 2 135 ? -48.064 -36.884 -8.385 1.00 76.92 ? 113 GLU B C 1 -ATOM 3529 O O . GLU B 2 135 ? -49.097 -36.945 -7.710 1.00 69.97 ? 113 GLU B O 1 -ATOM 3530 C CB . GLU B 2 135 ? -46.990 -34.809 -9.222 1.00 58.76 ? 113 GLU B CB 1 -ATOM 3531 N N . PHE B 2 136 ? -46.965 -37.590 -8.117 1.00 83.37 ? 114 PHE B N 1 -ATOM 3532 C CA . PHE B 2 136 ? -46.856 -38.477 -6.960 1.00 70.27 ? 114 PHE B CA 1 -ATOM 3533 C C . PHE B 2 136 ? -47.115 -37.748 -5.658 1.00 67.99 ? 114 PHE B C 1 -ATOM 3534 O O . PHE B 2 136 ? -47.723 -38.311 -4.755 1.00 71.76 ? 114 PHE B O 1 -ATOM 3535 C CB . PHE B 2 136 ? -45.465 -39.110 -6.890 1.00 72.69 ? 114 PHE B CB 1 -ATOM 3536 C CG . PHE B 2 136 ? -45.132 -39.711 -5.547 1.00 70.13 ? 114 PHE B CG 1 -ATOM 3537 C CD1 . PHE B 2 136 ? -45.639 -40.958 -5.181 1.00 65.23 ? 114 PHE B CD1 1 -ATOM 3538 C CD2 . PHE B 2 136 ? -44.297 -39.042 -4.658 1.00 63.69 ? 114 PHE B CD2 1 -ATOM 3539 C CE1 . PHE B 2 136 ? -45.337 -41.519 -3.947 1.00 54.94 ? 114 PHE B CE1 1 -ATOM 3540 C CE2 . PHE B 2 136 ? -43.981 -39.596 -3.424 1.00 67.70 ? 114 PHE B CE2 1 -ATOM 3541 C CZ . PHE B 2 136 ? -44.501 -40.839 -3.066 1.00 71.36 ? 114 PHE B CZ 1 -ATOM 3542 N N . GLU B 2 137 ? -46.622 -36.514 -5.549 1.00 62.97 ? 115 GLU B N 1 -ATOM 3543 C CA . GLU B 2 137 ? -46.826 -35.741 -4.333 1.00 65.31 ? 115 GLU B CA 1 -ATOM 3544 C C . GLU B 2 137 ? -48.312 -35.696 -3.977 1.00 53.38 ? 115 GLU B C 1 -ATOM 3545 O O . GLU B 2 137 ? -48.662 -35.797 -2.811 1.00 57.00 ? 115 GLU B O 1 -ATOM 3546 C CB . GLU B 2 137 ? -46.258 -34.319 -4.476 1.00 55.99 ? 115 GLU B CB 1 -ATOM 3547 N N . GLU B 2 138 ? -49.179 -35.572 -4.982 1.00 56.31 ? 116 GLU B N 1 -ATOM 3548 C CA . GLU B 2 138 ? -50.626 -35.561 -4.750 1.00 64.13 ? 116 GLU B CA 1 -ATOM 3549 C C . GLU B 2 138 ? -51.096 -36.914 -4.236 1.00 62.07 ? 116 GLU B C 1 -ATOM 3550 O O . GLU B 2 138 ? -51.892 -36.977 -3.306 1.00 60.21 ? 116 GLU B O 1 -ATOM 3551 C CB . GLU B 2 138 ? -51.409 -35.195 -6.020 1.00 48.59 ? 116 GLU B CB 1 -ATOM 3552 N N . LEU B 2 139 ? -50.614 -37.994 -4.851 1.00 63.32 ? 117 LEU B N 1 -ATOM 3553 C CA . LEU B 2 139 ? -51.027 -39.335 -4.438 1.00 60.32 ? 117 LEU B CA 1 -ATOM 3554 C C . LEU B 2 139 ? -50.540 -39.615 -3.020 1.00 57.82 ? 117 LEU B C 1 -ATOM 3555 O O . LEU B 2 139 ? -51.271 -40.158 -2.192 1.00 53.79 ? 117 LEU B O 1 -ATOM 3556 C CB . LEU B 2 139 ? -50.490 -40.387 -5.397 1.00 62.95 ? 117 LEU B CB 1 -ATOM 3557 C CG . LEU B 2 139 ? -51.025 -41.800 -5.175 1.00 60.27 ? 117 LEU B CG 1 -ATOM 3558 C CD1 . LEU B 2 139 ? -52.435 -41.944 -5.713 1.00 49.71 ? 117 LEU B CD1 1 -ATOM 3559 C CD2 . LEU B 2 139 ? -50.113 -42.817 -5.811 1.00 58.15 ? 117 LEU B CD2 1 -ATOM 3560 N N . GLU B 2 140 ? -49.317 -39.184 -2.731 1.00 59.32 ? 118 GLU B N 1 -ATOM 3561 C CA . GLU B 2 140 ? -48.724 -39.360 -1.410 1.00 56.40 ? 118 GLU B CA 1 -ATOM 3562 C C . GLU B 2 140 ? -49.536 -38.632 -0.323 1.00 53.84 ? 118 GLU B C 1 -ATOM 3563 O O . GLU B 2 140 ? -49.793 -39.196 0.742 1.00 53.53 ? 118 GLU B O 1 -ATOM 3564 C CB . GLU B 2 140 ? -47.253 -38.880 -1.416 1.00 47.61 ? 118 GLU B CB 1 -ATOM 3565 C CG . GLU B 2 140 ? -46.554 -38.974 -0.041 1.00 58.88 ? 118 GLU B CG 1 -ATOM 3566 C CD . GLU B 2 140 ? -45.093 -38.469 -0.037 1.00 70.57 ? 118 GLU B CD 1 -ATOM 3567 O OE1 . GLU B 2 140 ? -44.679 -37.821 -1.035 1.00 74.50 ? 118 GLU B OE1 1 -ATOM 3568 O OE2 . GLU B 2 140 ? -44.377 -38.686 0.988 1.00 44.56 ? 118 GLU B OE2 1 -ATOM 3569 N N . ARG B 2 141 ? -49.918 -37.380 -0.584 1.00 50.05 ? 119 ARG B N 1 -ATOM 3570 C CA . ARG B 2 141 ? -50.803 -36.624 0.314 1.00 44.96 ? 119 ARG B CA 1 -ATOM 3571 C C . ARG B 2 141 ? -52.116 -37.372 0.553 1.00 42.30 ? 119 ARG B C 1 -ATOM 3572 O O . ARG B 2 141 ? -52.577 -37.499 1.680 1.00 50.21 ? 119 ARG B O 1 -ATOM 3573 C CB . ARG B 2 141 ? -51.096 -35.224 -0.253 1.00 49.48 ? 119 ARG B CB 1 -ATOM 3574 N N . LYS B 2 142 ? -52.719 -37.871 -0.509 1.00 44.82 ? 120 LYS B N 1 -ATOM 3575 C CA . LYS B 2 142 ? -53.965 -38.593 -0.359 1.00 52.36 ? 120 LYS B CA 1 -ATOM 3576 C C . LYS B 2 142 ? -53.740 -39.847 0.487 1.00 50.75 ? 120 LYS B C 1 -ATOM 3577 O O . LYS B 2 142 ? -54.570 -40.184 1.321 1.00 46.25 ? 120 LYS B O 1 -ATOM 3578 C CB . LYS B 2 142 ? -54.548 -38.933 -1.727 1.00 57.19 ? 120 LYS B CB 1 -ATOM 3579 C CG . LYS B 2 142 ? -55.083 -37.701 -2.431 1.00 63.35 ? 120 LYS B CG 1 -ATOM 3580 C CD . LYS B 2 142 ? -55.962 -38.022 -3.615 1.00 63.78 ? 120 LYS B CD 1 -ATOM 3581 C CE . LYS B 2 142 ? -56.698 -36.755 -4.063 1.00 65.93 ? 120 LYS B CE 1 -ATOM 3582 N NZ . LYS B 2 142 ? -57.584 -36.969 -5.244 1.00 74.12 ? 120 LYS B NZ 1 -ATOM 3583 N N . TYR B 2 143 ? -52.584 -40.493 0.343 1.00 58.05 ? 121 TYR B N 1 -ATOM 3584 C CA . TYR B 2 143 ? -52.295 -41.661 1.180 1.00 47.25 ? 121 TYR B CA 1 -ATOM 3585 C C . TYR B 2 143 ? -52.317 -41.341 2.677 1.00 47.65 ? 121 TYR B C 1 -ATOM 3586 O O . TYR B 2 143 ? -53.020 -42.007 3.448 1.00 49.25 ? 121 TYR B O 1 -ATOM 3587 C CB . TYR B 2 143 ? -50.935 -42.273 0.836 1.00 42.45 ? 121 TYR B CB 1 -ATOM 3588 C CG . TYR B 2 143 ? -50.602 -43.388 1.796 1.00 47.86 ? 121 TYR B CG 1 -ATOM 3589 C CD1 . TYR B 2 143 ? -51.273 -44.606 1.724 1.00 49.09 ? 121 TYR B CD1 1 -ATOM 3590 C CD2 . TYR B 2 143 ? -49.659 -43.213 2.804 1.00 41.65 ? 121 TYR B CD2 1 -ATOM 3591 C CE1 . TYR B 2 143 ? -51.005 -45.628 2.616 1.00 38.68 ? 121 TYR B CE1 1 -ATOM 3592 C CE2 . TYR B 2 143 ? -49.376 -44.224 3.686 1.00 51.59 ? 121 TYR B CE2 1 -ATOM 3593 C CZ . TYR B 2 143 ? -50.059 -45.438 3.581 1.00 47.87 ? 121 TYR B CZ 1 -ATOM 3594 O OH . TYR B 2 143 ? -49.776 -46.456 4.453 1.00 44.02 ? 121 TYR B OH 1 -ATOM 3595 N N . TRP B 2 144 ? -51.542 -40.333 3.091 1.00 42.11 ? 122 TRP B N 1 -ATOM 3596 C CA . TRP B 2 144 ? -51.429 -39.963 4.509 1.00 38.67 ? 122 TRP B CA 1 -ATOM 3597 C C . TRP B 2 144 ? -52.652 -39.270 5.027 1.00 40.69 ? 122 TRP B C 1 -ATOM 3598 O O . TRP B 2 144 ? -52.857 -39.191 6.242 1.00 51.91 ? 122 TRP B O 1 -ATOM 3599 C CB . TRP B 2 144 ? -50.183 -39.069 4.752 1.00 44.77 ? 122 TRP B CB 1 -ATOM 3600 C CG . TRP B 2 144 ? -48.968 -39.903 4.591 1.00 45.48 ? 122 TRP B CG 1 -ATOM 3601 C CD1 . TRP B 2 144 ? -48.123 -39.912 3.533 1.00 41.88 ? 122 TRP B CD1 1 -ATOM 3602 C CD2 . TRP B 2 144 ? -48.534 -40.945 5.468 1.00 36.62 ? 122 TRP B CD2 1 -ATOM 3603 N NE1 . TRP B 2 144 ? -47.152 -40.867 3.713 1.00 43.51 ? 122 TRP B NE1 1 -ATOM 3604 C CE2 . TRP B 2 144 ? -47.385 -41.519 4.896 1.00 43.07 ? 122 TRP B CE2 1 -ATOM 3605 C CE3 . TRP B 2 144 ? -48.981 -41.420 6.706 1.00 42.49 ? 122 TRP B CE3 1 -ATOM 3606 C CZ2 . TRP B 2 144 ? -46.672 -42.558 5.516 1.00 35.08 ? 122 TRP B CZ2 1 -ATOM 3607 C CZ3 . TRP B 2 144 ? -48.269 -42.444 7.324 1.00 38.21 ? 122 TRP B CZ3 1 -ATOM 3608 C CH2 . TRP B 2 144 ? -47.136 -43.002 6.726 1.00 33.07 ? 122 TRP B CH2 1 -ATOM 3609 N N . LYS B 2 145 ? -53.496 -38.788 4.125 1.00 48.34 ? 123 LYS B N 1 -ATOM 3610 C CA . LYS B 2 145 ? -54.731 -38.145 4.571 1.00 56.51 ? 123 LYS B CA 1 -ATOM 3611 C C . LYS B 2 145 ? -55.906 -39.171 4.687 1.00 43.88 ? 123 LYS B C 1 -ATOM 3612 O O . LYS B 2 145 ? -56.693 -39.092 5.616 1.00 51.42 ? 123 LYS B O 1 -ATOM 3613 C CB . LYS B 2 145 ? -55.044 -36.948 3.645 1.00 43.63 ? 123 LYS B CB 1 -ATOM 3614 C CG . LYS B 2 145 ? -56.505 -36.656 3.309 1.00 62.34 ? 123 LYS B CG 1 -ATOM 3615 C CD . LYS B 2 145 ? -56.591 -35.491 2.284 1.00 60.58 ? 123 LYS B CD 1 -ATOM 3616 C CE . LYS B 2 145 ? -57.948 -35.388 1.591 1.00 74.41 ? 123 LYS B CE 1 -ATOM 3617 N NZ . LYS B 2 145 ? -57.822 -35.470 0.099 1.00 82.73 ? 123 LYS B NZ 1 -ATOM 3618 N N . ASN B 2 146 ? -55.975 -40.169 3.815 1.00 48.99 ? 124 ASN B N 1 -ATOM 3619 C CA . ASN B 2 146 ? -57.093 -41.126 3.849 1.00 56.24 ? 124 ASN B CA 1 -ATOM 3620 C C . ASN B 2 146 ? -56.738 -42.520 4.392 1.00 60.24 ? 124 ASN B C 1 -ATOM 3621 O O . ASN B 2 146 ? -57.499 -43.479 4.215 1.00 56.22 ? 124 ASN B O 1 -ATOM 3622 C CB . ASN B 2 146 ? -57.670 -41.279 2.448 1.00 48.92 ? 124 ASN B CB 1 -ATOM 3623 C CG . ASN B 2 146 ? -58.220 -39.985 1.917 1.00 59.06 ? 124 ASN B CG 1 -ATOM 3624 O OD1 . ASN B 2 146 ? -58.897 -39.260 2.632 1.00 63.63 ? 124 ASN B OD1 1 -ATOM 3625 N ND2 . ASN B 2 146 ? -57.903 -39.666 0.669 1.00 67.55 ? 124 ASN B ND2 1 -ATOM 3626 N N . LEU B 2 147 ? -55.578 -42.616 5.034 1.00 59.27 ? 125 LEU B N 1 -ATOM 3627 C CA . LEU B 2 147 ? -55.027 -43.873 5.565 1.00 53.04 ? 125 LEU B CA 1 -ATOM 3628 C C . LEU B 2 147 ? -56.011 -44.691 6.394 1.00 54.08 ? 125 LEU B C 1 -ATOM 3629 O O . LEU B 2 147 ? -56.104 -45.911 6.272 1.00 48.86 ? 125 LEU B O 1 -ATOM 3630 C CB . LEU B 2 147 ? -53.802 -43.534 6.429 1.00 53.56 ? 125 LEU B CB 1 -ATOM 3631 C CG . LEU B 2 147 ? -52.977 -44.654 7.048 1.00 49.71 ? 125 LEU B CG 1 -ATOM 3632 C CD1 . LEU B 2 147 ? -52.551 -45.654 5.998 1.00 64.92 ? 125 LEU B CD1 1 -ATOM 3633 C CD2 . LEU B 2 147 ? -51.770 -44.078 7.698 1.00 45.38 ? 125 LEU B CD2 1 -ATOM 3634 N N . THR B 2 148 ? -56.770 -43.984 7.215 1.00 57.33 ? 126 THR B N 1 -ATOM 3635 C CA . THR B 2 148 ? -57.562 -44.604 8.249 1.00 48.82 ? 126 THR B CA 1 -ATOM 3636 C C . THR B 2 148 ? -59.012 -44.780 7.829 1.00 51.48 ? 126 THR B C 1 -ATOM 3637 O O . THR B 2 148 ? -59.847 -45.113 8.663 1.00 51.61 ? 126 THR B O 1 -ATOM 3638 C CB . THR B 2 148 ? -57.546 -43.764 9.545 1.00 52.80 ? 126 THR B CB 1 -ATOM 3639 O OG1 . THR B 2 148 ? -58.339 -42.590 9.354 1.00 46.72 ? 126 THR B OG1 1 -ATOM 3640 C CG2 . THR B 2 148 ? -56.101 -43.347 9.931 1.00 40.93 ? 126 THR B CG2 1 -ATOM 3641 N N . PHE B 2 149 ? -59.301 -44.565 6.544 1.00 55.47 ? 127 PHE B N 1 -ATOM 3642 C CA . PHE B 2 149 ? -60.656 -44.719 6.003 1.00 54.89 ? 127 PHE B CA 1 -ATOM 3643 C C . PHE B 2 149 ? -60.666 -45.855 4.981 1.00 60.62 ? 127 PHE B C 1 -ATOM 3644 O O . PHE B 2 149 ? -59.618 -46.186 4.423 1.00 50.54 ? 127 PHE B O 1 -ATOM 3645 C CB . PHE B 2 149 ? -61.152 -43.424 5.339 1.00 40.62 ? 127 PHE B CB 1 -ATOM 3646 C CG . PHE B 2 149 ? -60.950 -42.180 6.168 1.00 43.42 ? 127 PHE B CG 1 -ATOM 3647 C CD1 . PHE B 2 149 ? -61.151 -42.191 7.539 1.00 48.76 ? 127 PHE B CD1 1 -ATOM 3648 C CD2 . PHE B 2 149 ? -60.586 -40.985 5.564 1.00 57.97 ? 127 PHE B CD2 1 -ATOM 3649 C CE1 . PHE B 2 149 ? -60.975 -41.036 8.291 1.00 55.91 ? 127 PHE B CE1 1 -ATOM 3650 C CE2 . PHE B 2 149 ? -60.400 -39.821 6.310 1.00 49.02 ? 127 PHE B CE2 1 -ATOM 3651 C CZ . PHE B 2 149 ? -60.595 -39.844 7.671 1.00 55.41 ? 127 PHE B CZ 1 -ATOM 3652 N N . ASN B 2 150 ? -61.845 -46.421 4.716 1.00 56.62 ? 128 ASN B N 1 -ATOM 3653 C CA . ASN B 2 150 ? -61.982 -47.551 3.784 1.00 57.50 ? 128 ASN B CA 1 -ATOM 3654 C C . ASN B 2 150 ? -60.861 -48.594 3.895 1.00 50.81 ? 128 ASN B C 1 -ATOM 3655 O O . ASN B 2 150 ? -60.028 -48.710 2.994 1.00 60.03 ? 128 ASN B O 1 -ATOM 3656 C CB . ASN B 2 150 ? -61.991 -47.043 2.341 1.00 55.07 ? 128 ASN B CB 1 -ATOM 3657 C CG . ASN B 2 150 ? -63.049 -46.001 2.093 1.00 80.64 ? 128 ASN B CG 1 -ATOM 3658 O OD1 . ASN B 2 150 ? -64.189 -46.322 1.768 1.00 82.03 ? 128 ASN B OD1 1 -ATOM 3659 N ND2 . ASN B 2 150 ? -62.668 -44.728 2.234 1.00 71.12 ? 128 ASN B ND2 1 -ATOM 3660 N N . PRO B 2 151 ? -60.806 -49.328 5.003 1.00 48.74 ? 129 PRO B N 1 -ATOM 3661 C CA . PRO B 2 151 ? -59.746 -50.336 5.172 1.00 51.18 ? 129 PRO B CA 1 -ATOM 3662 C C . PRO B 2 151 ? -59.633 -51.284 3.978 1.00 58.22 ? 129 PRO B C 1 -ATOM 3663 O O . PRO B 2 151 ? -60.572 -52.028 3.702 1.00 65.02 ? 129 PRO B O 1 -ATOM 3664 C CB . PRO B 2 151 ? -60.180 -51.091 6.425 1.00 40.67 ? 129 PRO B CB 1 -ATOM 3665 C CG . PRO B 2 151 ? -60.969 -50.093 7.196 1.00 58.49 ? 129 PRO B CG 1 -ATOM 3666 C CD . PRO B 2 151 ? -61.659 -49.205 6.194 1.00 55.40 ? 129 PRO B CD 1 -ATOM 3667 N N . PRO B 2 152 ? -58.516 -51.212 3.246 1.00 47.98 ? 130 PRO B N 1 -ATOM 3668 C CA . PRO B 2 152 ? -58.251 -52.073 2.098 1.00 47.36 ? 130 PRO B CA 1 -ATOM 3669 C C . PRO B 2 152 ? -57.918 -53.503 2.525 1.00 49.10 ? 130 PRO B C 1 -ATOM 3670 O O . PRO B 2 152 ? -57.722 -53.765 3.703 1.00 54.40 ? 130 PRO B O 1 -ATOM 3671 C CB . PRO B 2 152 ? -57.030 -51.416 1.461 1.00 51.61 ? 130 PRO B CB 1 -ATOM 3672 C CG . PRO B 2 152 ? -56.301 -50.854 2.629 1.00 37.42 ? 130 PRO B CG 1 -ATOM 3673 C CD . PRO B 2 152 ? -57.367 -50.332 3.538 1.00 49.88 ? 130 PRO B CD 1 -ATOM 3674 N N . ILE B 2 153 ? -57.850 -54.410 1.560 1.00 52.30 ? 131 ILE B N 1 -ATOM 3675 C CA . ILE B 2 153 ? -57.480 -55.797 1.798 1.00 48.00 ? 131 ILE B CA 1 -ATOM 3676 C C . ILE B 2 153 ? -56.139 -56.037 1.167 1.00 37.30 ? 131 ILE B C 1 -ATOM 3677 O O . ILE B 2 153 ? -55.927 -55.619 0.034 1.00 46.69 ? 131 ILE B O 1 -ATOM 3678 C CB . ILE B 2 153 ? -58.540 -56.800 1.198 1.00 33.11 ? 131 ILE B CB 1 -ATOM 3679 C CG1 . ILE B 2 153 ? -59.707 -56.939 2.152 1.00 41.52 ? 131 ILE B CG1 1 -ATOM 3680 C CG2 . ILE B 2 153 ? -57.937 -58.185 1.034 1.00 49.21 ? 131 ILE B CG2 1 -ATOM 3681 C CD1 . ILE B 2 153 ? -60.728 -55.812 2.015 1.00 54.78 ? 131 ILE B CD1 1 -ATOM 3682 N N . TYR B 2 154 ? -55.247 -56.744 1.854 1.00 49.32 ? 132 TYR B N 1 -ATOM 3683 C CA . TYR B 2 154 ? -53.916 -56.964 1.301 1.00 47.59 ? 132 TYR B CA 1 -ATOM 3684 C C . TYR B 2 154 ? -53.613 -58.456 1.246 1.00 48.72 ? 132 TYR B C 1 -ATOM 3685 O O . TYR B 2 154 ? -53.628 -59.140 2.256 1.00 57.84 ? 132 TYR B O 1 -ATOM 3686 C CB . TYR B 2 154 ? -52.887 -56.163 2.122 1.00 41.89 ? 132 TYR B CB 1 -ATOM 3687 C CG . TYR B 2 154 ? -51.470 -56.096 1.577 1.00 48.02 ? 132 TYR B CG 1 -ATOM 3688 C CD1 . TYR B 2 154 ? -51.254 -55.818 0.245 1.00 52.87 ? 132 TYR B CD1 1 -ATOM 3689 C CD2 . TYR B 2 154 ? -50.365 -56.049 2.425 1.00 52.55 ? 132 TYR B CD2 1 -ATOM 3690 C CE1 . TYR B 2 154 ? -49.981 -55.682 -0.274 1.00 49.96 ? 132 TYR B CE1 1 -ATOM 3691 C CE2 . TYR B 2 154 ? -49.071 -55.891 1.912 1.00 57.01 ? 132 TYR B CE2 1 -ATOM 3692 C CZ . TYR B 2 154 ? -48.897 -55.699 0.551 1.00 44.86 ? 132 TYR B CZ 1 -ATOM 3693 O OH . TYR B 2 154 ? -47.660 -55.523 -0.041 1.00 58.58 ? 132 TYR B OH 1 -ATOM 3694 N N . GLY B 2 155 ? -53.355 -58.955 0.044 1.00 50.62 ? 133 GLY B N 1 -ATOM 3695 C CA . GLY B 2 155 ? -53.051 -60.356 -0.143 1.00 53.95 ? 133 GLY B CA 1 -ATOM 3696 C C . GLY B 2 155 ? -51.592 -60.626 0.110 1.00 50.60 ? 133 GLY B C 1 -ATOM 3697 O O . GLY B 2 155 ? -50.818 -60.881 -0.818 1.00 48.79 ? 133 GLY B O 1 -ATOM 3698 N N . ALA B 2 156 ? -51.234 -60.599 1.391 1.00 62.83 ? 134 ALA B N 1 -ATOM 3699 C CA . ALA B 2 156 ? -49.846 -60.688 1.832 1.00 52.24 ? 134 ALA B CA 1 -ATOM 3700 C C . ALA B 2 156 ? -49.465 -62.115 2.233 1.00 69.45 ? 134 ALA B C 1 -ATOM 3701 O O . ALA B 2 156 ? -50.334 -62.961 2.438 1.00 58.45 ? 134 ALA B O 1 -ATOM 3702 C CB . ALA B 2 156 ? -49.618 -59.729 2.997 1.00 59.80 ? 134 ALA B CB 1 -ATOM 3703 N N . ASP B 2 157 ? -48.162 -62.360 2.356 1.00 64.87 ? 135 ASP B N 1 -ATOM 3704 C CA . ASP B 2 157 ? -47.634 -63.632 2.832 1.00 65.90 ? 135 ASP B CA 1 -ATOM 3705 C C . ASP B 2 157 ? -48.209 -64.856 2.131 1.00 70.83 ? 135 ASP B C 1 -ATOM 3706 O O . ASP B 2 157 ? -48.806 -65.727 2.773 1.00 72.45 ? 135 ASP B O 1 -ATOM 3707 C CB . ASP B 2 157 ? -47.834 -63.761 4.343 1.00 77.56 ? 135 ASP B CB 1 -ATOM 3708 C CG . ASP B 2 157 ? -46.907 -62.844 5.130 1.00 83.79 ? 135 ASP B CG 1 -ATOM 3709 O OD1 . ASP B 2 157 ? -46.372 -61.886 4.529 1.00 86.45 ? 135 ASP B OD1 1 -ATOM 3710 O OD2 . ASP B 2 157 ? -46.701 -63.086 6.342 1.00 91.06 ? 135 ASP B OD2 1 -ATOM 3711 N N . VAL B 2 158 ? -48.033 -64.900 0.812 1.00 62.71 ? 136 VAL B N 1 -ATOM 3712 C CA . VAL B 2 158 ? -48.498 -66.005 -0.024 1.00 48.45 ? 136 VAL B CA 1 -ATOM 3713 C C . VAL B 2 158 ? -47.323 -66.808 -0.586 1.00 63.11 ? 136 VAL B C 1 -ATOM 3714 O O . VAL B 2 158 ? -46.615 -66.338 -1.487 1.00 56.23 ? 136 VAL B O 1 -ATOM 3715 C CB . VAL B 2 158 ? -49.376 -65.495 -1.192 1.00 52.42 ? 136 VAL B CB 1 -ATOM 3716 C CG1 . VAL B 2 158 ? -49.856 -66.656 -2.056 1.00 62.97 ? 136 VAL B CG1 1 -ATOM 3717 C CG2 . VAL B 2 158 ? -50.551 -64.675 -0.673 1.00 51.65 ? 136 VAL B CG2 1 -ATOM 3718 N N . ASN B 2 159 ? -47.117 -68.014 -0.056 1.00 61.94 ? 137 ASN B N 1 -ATOM 3719 C CA . ASN B 2 159 ? -46.008 -68.874 -0.476 1.00 60.82 ? 137 ASN B CA 1 -ATOM 3720 C C . ASN B 2 159 ? -46.095 -69.130 -1.972 1.00 55.89 ? 137 ASN B C 1 -ATOM 3721 O O . ASN B 2 159 ? -47.188 -69.327 -2.491 1.00 63.26 ? 137 ASN B O 1 -ATOM 3722 C CB . ASN B 2 159 ? -46.029 -70.192 0.285 1.00 70.45 ? 137 ASN B CB 1 -ATOM 3723 C CG . ASN B 2 159 ? -45.560 -70.045 1.711 1.00 65.19 ? 137 ASN B CG 1 -ATOM 3724 O OD1 . ASN B 2 159 ? -44.358 -69.985 1.985 1.00 66.32 ? 137 ASN B OD1 1 -ATOM 3725 N ND2 . ASN B 2 159 ? -46.511 -69.992 2.635 1.00 64.63 ? 137 ASN B ND2 1 -ATOM 3726 N N . GLY B 2 160 ? -44.972 -69.045 -2.681 1.00 60.80 ? 138 GLY B N 1 -ATOM 3727 C CA . GLY B 2 160 ? -45.005 -69.190 -4.127 1.00 59.15 ? 138 GLY B CA 1 -ATOM 3728 C C . GLY B 2 160 ? -44.022 -68.341 -4.914 1.00 64.29 ? 138 GLY B C 1 -ATOM 3729 O O . GLY B 2 160 ? -43.384 -67.441 -4.372 1.00 68.69 ? 138 GLY B O 1 -ATOM 3730 N N . THR B 2 161 ? -43.915 -68.634 -6.207 1.00 64.17 ? 139 THR B N 1 -ATOM 3731 C CA . THR B 2 161 ? -43.032 -67.929 -7.135 1.00 55.84 ? 139 THR B CA 1 -ATOM 3732 C C . THR B 2 161 ? -43.814 -67.655 -8.410 1.00 64.87 ? 139 THR B C 1 -ATOM 3733 O O . THR B 2 161 ? -44.834 -68.294 -8.653 1.00 67.83 ? 139 THR B O 1 -ATOM 3734 C CB . THR B 2 161 ? -41.758 -68.759 -7.464 1.00 72.12 ? 139 THR B CB 1 -ATOM 3735 O OG1 . THR B 2 161 ? -41.231 -69.328 -6.262 1.00 78.16 ? 139 THR B OG1 1 -ATOM 3736 C CG2 . THR B 2 161 ? -40.669 -67.912 -8.134 1.00 53.25 ? 139 THR B CG2 1 -ATOM 3737 N N . LEU B 2 162 ? -43.374 -66.683 -9.204 1.00 63.46 ? 140 LEU B N 1 -ATOM 3738 C CA . LEU B 2 162 ? -43.942 -66.483 -10.531 1.00 50.99 ? 140 LEU B CA 1 -ATOM 3739 C C . LEU B 2 162 ? -42.874 -66.648 -11.608 1.00 56.77 ? 140 LEU B C 1 -ATOM 3740 O O . LEU B 2 162 ? -43.166 -66.585 -12.790 1.00 69.70 ? 140 LEU B O 1 -ATOM 3741 C CB . LEU B 2 162 ? -44.601 -65.118 -10.630 1.00 52.24 ? 140 LEU B CB 1 -ATOM 3742 C CG . LEU B 2 162 ? -45.883 -64.974 -9.818 1.00 59.49 ? 140 LEU B CG 1 -ATOM 3743 C CD1 . LEU B 2 162 ? -46.584 -63.646 -10.114 1.00 60.12 ? 140 LEU B CD1 1 -ATOM 3744 C CD2 . LEU B 2 162 ? -46.806 -66.119 -10.132 1.00 62.21 ? 140 LEU B CD2 1 -ATOM 3745 N N . TYR B 2 163 ? -41.641 -66.896 -11.189 1.00 44.76 ? 141 TYR B N 1 -ATOM 3746 C CA . TYR B 2 163 ? -40.568 -67.216 -12.116 1.00 65.79 ? 141 TYR B CA 1 -ATOM 3747 C C . TYR B 2 163 ? -40.830 -68.534 -12.837 1.00 69.51 ? 141 TYR B C 1 -ATOM 3748 O O . TYR B 2 163 ? -41.181 -69.518 -12.194 1.00 64.45 ? 141 TYR B O 1 -ATOM 3749 C CB . TYR B 2 163 ? -39.233 -67.311 -11.370 1.00 64.31 ? 141 TYR B CB 1 -ATOM 3750 C CG . TYR B 2 163 ? -38.616 -65.987 -11.013 1.00 62.41 ? 141 TYR B CG 1 -ATOM 3751 C CD1 . TYR B 2 163 ? -39.164 -65.187 -10.018 1.00 67.90 ? 141 TYR B CD1 1 -ATOM 3752 C CD2 . TYR B 2 163 ? -37.471 -65.547 -11.653 1.00 61.95 ? 141 TYR B CD2 1 -ATOM 3753 C CE1 . TYR B 2 163 ? -38.595 -63.976 -9.681 1.00 67.76 ? 141 TYR B CE1 1 -ATOM 3754 C CE2 . TYR B 2 163 ? -36.896 -64.342 -11.328 1.00 70.63 ? 141 TYR B CE2 1 -ATOM 3755 C CZ . TYR B 2 163 ? -37.459 -63.559 -10.338 1.00 66.55 ? 141 TYR B CZ 1 -ATOM 3756 O OH . TYR B 2 163 ? -36.872 -62.358 -10.010 1.00 71.32 ? 141 TYR B OH 1 -ATOM 3757 N N . GLU B 2 164 ? -40.638 -68.561 -14.155 1.00 68.62 ? 142 GLU B N 1 -ATOM 3758 C CA . GLU B 2 164 ? -40.599 -69.833 -14.860 1.00 69.58 ? 142 GLU B CA 1 -ATOM 3759 C C . GLU B 2 164 ? -39.348 -70.539 -14.351 1.00 81.13 ? 142 GLU B C 1 -ATOM 3760 O O . GLU B 2 164 ? -38.344 -69.885 -14.046 1.00 74.68 ? 142 GLU B O 1 -ATOM 3761 C CB . GLU B 2 164 ? -40.572 -69.642 -16.379 1.00 62.31 ? 142 GLU B CB 1 -ATOM 3762 N N . LYS B 2 165 ? -39.397 -71.867 -14.286 1.00 70.43 ? 143 LYS B N 1 -ATOM 3763 C CA . LYS B 2 165 ? -38.357 -72.638 -13.610 1.00 74.01 ? 143 LYS B CA 1 -ATOM 3764 C C . LYS B 2 165 ? -36.983 -72.501 -14.259 1.00 68.97 ? 143 LYS B C 1 -ATOM 3765 O O . LYS B 2 165 ? -35.962 -72.696 -13.604 1.00 70.47 ? 143 LYS B O 1 -ATOM 3766 C CB . LYS B 2 165 ? -38.756 -74.121 -13.552 1.00 80.30 ? 143 LYS B CB 1 -ATOM 3767 N N A HIS B 2 166 ? -36.956 -72.133 -15.535 0.49 71.17 ? 144 HIS B N 1 -ATOM 3768 N N B HIS B 2 166 ? -36.970 -72.150 -15.542 0.51 71.17 ? 144 HIS B N 1 -ATOM 3769 C CA A HIS B 2 166 ? -35.708 -72.136 -16.289 0.49 69.46 ? 144 HIS B CA 1 -ATOM 3770 C CA B HIS B 2 166 ? -35.737 -72.123 -16.319 0.51 69.50 ? 144 HIS B CA 1 -ATOM 3771 C C A HIS B 2 166 ? -34.910 -70.846 -16.122 0.49 72.82 ? 144 HIS B C 1 -ATOM 3772 C C B HIS B 2 166 ? -34.898 -70.875 -16.057 0.51 72.83 ? 144 HIS B C 1 -ATOM 3773 O O A HIS B 2 166 ? -33.748 -70.779 -16.532 0.49 73.49 ? 144 HIS B O 1 -ATOM 3774 O O B HIS B 2 166 ? -33.693 -70.869 -16.326 0.51 73.57 ? 144 HIS B O 1 -ATOM 3775 C CB A HIS B 2 166 ? -35.991 -72.380 -17.770 0.49 71.55 ? 144 HIS B CB 1 -ATOM 3776 C CB B HIS B 2 166 ? -36.056 -72.230 -17.814 0.51 71.58 ? 144 HIS B CB 1 -ATOM 3777 C CG A HIS B 2 166 ? -36.718 -73.660 -18.042 0.49 69.23 ? 144 HIS B CG 1 -ATOM 3778 C CG B HIS B 2 166 ? -36.661 -70.991 -18.399 0.51 69.01 ? 144 HIS B CG 1 -ATOM 3779 N ND1 A HIS B 2 166 ? -38.022 -73.694 -18.485 0.49 66.35 ? 144 HIS B ND1 1 -ATOM 3780 N ND1 B HIS B 2 166 ? -37.935 -70.566 -18.089 0.51 71.72 ? 144 HIS B ND1 1 -ATOM 3781 C CD2 A HIS B 2 166 ? -36.325 -74.951 -17.921 0.49 63.52 ? 144 HIS B CD2 1 -ATOM 3782 C CD2 B HIS B 2 166 ? -36.169 -70.092 -19.284 0.51 66.56 ? 144 HIS B CD2 1 -ATOM 3783 C CE1 A HIS B 2 166 ? -38.399 -74.951 -18.636 0.49 65.98 ? 144 HIS B CE1 1 -ATOM 3784 C CE1 B HIS B 2 166 ? -38.200 -69.455 -18.754 0.51 69.34 ? 144 HIS B CE1 1 -ATOM 3785 N NE2 A HIS B 2 166 ? -37.388 -75.733 -18.301 0.49 67.30 ? 144 HIS B NE2 1 -ATOM 3786 N NE2 B HIS B 2 166 ? -37.145 -69.147 -19.487 0.51 71.54 ? 144 HIS B NE2 1 -ATOM 3787 N N . VAL B 2 167 ? -35.532 -69.828 -15.529 1.00 77.21 ? 145 VAL B N 1 -ATOM 3788 C CA . VAL B 2 167 ? -34.851 -68.543 -15.266 1.00 70.94 ? 145 VAL B CA 1 -ATOM 3789 C C . VAL B 2 167 ? -33.758 -68.645 -14.202 1.00 65.47 ? 145 VAL B C 1 -ATOM 3790 O O . VAL B 2 167 ? -34.046 -68.941 -13.044 1.00 72.58 ? 145 VAL B O 1 -ATOM 3791 C CB . VAL B 2 167 ? -35.837 -67.458 -14.799 1.00 65.75 ? 145 VAL B CB 1 -ATOM 3792 C CG1 . VAL B 2 167 ? -35.082 -66.191 -14.475 1.00 73.85 ? 145 VAL B CG1 1 -ATOM 3793 C CG2 . VAL B 2 167 ? -36.895 -67.195 -15.862 1.00 67.00 ? 145 VAL B CG2 1 -ATOM 3794 N N . ASP B 2 168 ? -32.513 -68.368 -14.574 1.00 67.14 ? 146 ASP B N 1 -ATOM 3795 C CA . ASP B 2 168 ? -31.403 -68.577 -13.645 1.00 71.95 ? 146 ASP B CA 1 -ATOM 3796 C C . ASP B 2 168 ? -30.712 -67.277 -13.182 1.00 74.97 ? 146 ASP B C 1 -ATOM 3797 O O . ASP B 2 168 ? -29.724 -67.317 -12.441 1.00 68.35 ? 146 ASP B O 1 -ATOM 3798 C CB . ASP B 2 168 ? -30.372 -69.521 -14.276 1.00 79.60 ? 146 ASP B CB 1 -ATOM 3799 N N . GLU B 2 169 ? -31.235 -66.126 -13.585 1.00 70.36 ? 147 GLU B N 1 -ATOM 3800 C CA . GLU B 2 169 ? -30.645 -64.867 -13.129 1.00 71.76 ? 147 GLU B CA 1 -ATOM 3801 C C . GLU B 2 169 ? -31.583 -64.144 -12.172 1.00 62.83 ? 147 GLU B C 1 -ATOM 3802 O O . GLU B 2 169 ? -32.708 -63.788 -12.536 1.00 57.41 ? 147 GLU B O 1 -ATOM 3803 C CB . GLU B 2 169 ? -30.307 -63.962 -14.320 1.00 63.54 ? 147 GLU B CB 1 -ATOM 3804 C CG . GLU B 2 169 ? -29.521 -64.665 -15.421 1.00 74.19 ? 147 GLU B CG 1 -ATOM 3805 C CD . GLU B 2 169 ? -30.409 -65.206 -16.541 1.00 75.68 ? 147 GLU B CD 1 -ATOM 3806 O OE1 . GLU B 2 169 ? -31.644 -65.002 -16.497 1.00 73.56 ? 147 GLU B OE1 1 -ATOM 3807 O OE2 . GLU B 2 169 ? -29.865 -65.857 -17.460 1.00 86.11 ? 147 GLU B OE2 1 -ATOM 3808 N N . TRP B 2 170 ? -31.096 -63.914 -10.956 1.00 58.61 ? 148 TRP B N 1 -ATOM 3809 C CA . TRP B 2 170 ? -31.867 -63.220 -9.934 1.00 59.26 ? 148 TRP B CA 1 -ATOM 3810 C C . TRP B 2 170 ? -33.193 -63.916 -9.675 1.00 62.11 ? 148 TRP B C 1 -ATOM 3811 O O . TRP B 2 170 ? -34.250 -63.280 -9.624 1.00 58.24 ? 148 TRP B O 1 -ATOM 3812 C CB . TRP B 2 170 ? -32.106 -61.768 -10.344 1.00 56.23 ? 148 TRP B CB 1 -ATOM 3813 C CG . TRP B 2 170 ? -30.888 -60.930 -10.273 1.00 50.13 ? 148 TRP B CG 1 -ATOM 3814 C CD1 . TRP B 2 170 ? -29.698 -61.148 -10.902 1.00 54.83 ? 148 TRP B CD1 1 -ATOM 3815 C CD2 . TRP B 2 170 ? -30.742 -59.714 -9.538 1.00 56.60 ? 148 TRP B CD2 1 -ATOM 3816 N NE1 . TRP B 2 170 ? -28.807 -60.143 -10.594 1.00 57.83 ? 148 TRP B NE1 1 -ATOM 3817 C CE2 . TRP B 2 170 ? -29.427 -59.246 -9.763 1.00 56.68 ? 148 TRP B CE2 1 -ATOM 3818 C CE3 . TRP B 2 170 ? -31.603 -58.963 -8.722 1.00 48.91 ? 148 TRP B CE3 1 -ATOM 3819 C CZ2 . TRP B 2 170 ? -28.947 -58.071 -9.188 1.00 56.81 ? 148 TRP B CZ2 1 -ATOM 3820 C CZ3 . TRP B 2 170 ? -31.126 -57.808 -8.151 1.00 53.85 ? 148 TRP B CZ3 1 -ATOM 3821 C CH2 . TRP B 2 170 ? -29.809 -57.366 -8.391 1.00 53.95 ? 148 TRP B CH2 1 -ATOM 3822 N N . ASN B 2 171 ? -33.131 -65.229 -9.501 1.00 65.71 ? 149 ASN B N 1 -ATOM 3823 C CA . ASN B 2 171 ? -34.325 -65.994 -9.210 1.00 57.15 ? 149 ASN B CA 1 -ATOM 3824 C C . ASN B 2 171 ? -34.605 -66.008 -7.723 1.00 64.56 ? 149 ASN B C 1 -ATOM 3825 O O . ASN B 2 171 ? -33.901 -66.676 -6.957 1.00 71.16 ? 149 ASN B O 1 -ATOM 3826 C CB . ASN B 2 171 ? -34.194 -67.417 -9.753 1.00 64.78 ? 149 ASN B CB 1 -ATOM 3827 C CG . ASN B 2 171 ? -35.507 -68.142 -9.751 1.00 60.94 ? 149 ASN B CG 1 -ATOM 3828 O OD1 . ASN B 2 171 ? -36.221 -68.156 -8.744 1.00 52.96 ? 149 ASN B OD1 1 -ATOM 3829 N ND2 . ASN B 2 171 ? -35.883 -68.673 -10.899 1.00 62.20 ? 149 ASN B ND2 1 -ATOM 3830 N N . ILE B 2 172 ? -35.647 -65.276 -7.328 1.00 54.42 ? 150 ILE B N 1 -ATOM 3831 C CA . ILE B 2 172 ? -35.952 -65.039 -5.919 1.00 51.83 ? 150 ILE B CA 1 -ATOM 3832 C C . ILE B 2 172 ? -36.242 -66.340 -5.160 1.00 63.85 ? 150 ILE B C 1 -ATOM 3833 O O . ILE B 2 172 ? -36.002 -66.433 -3.950 1.00 63.66 ? 150 ILE B O 1 -ATOM 3834 C CB . ILE B 2 172 ? -37.121 -64.013 -5.795 1.00 58.47 ? 150 ILE B CB 1 -ATOM 3835 C CG1 . ILE B 2 172 ? -36.593 -62.601 -6.117 1.00 61.18 ? 150 ILE B CG1 1 -ATOM 3836 C CG2 . ILE B 2 172 ? -37.745 -64.023 -4.411 1.00 55.35 ? 150 ILE B CG2 1 -ATOM 3837 C CD1 . ILE B 2 172 ? -37.606 -61.482 -5.948 1.00 55.08 ? 150 ILE B CD1 1 -ATOM 3838 N N . GLY B 2 173 ? -36.709 -67.360 -5.879 1.00 71.13 ? 151 GLY B N 1 -ATOM 3839 C CA . GLY B 2 173 ? -36.903 -68.677 -5.292 1.00 72.10 ? 151 GLY B CA 1 -ATOM 3840 C C . GLY B 2 173 ? -35.587 -69.341 -4.902 1.00 72.88 ? 151 GLY B C 1 -ATOM 3841 O O . GLY B 2 173 ? -35.478 -69.952 -3.835 1.00 71.49 ? 151 GLY B O 1 -ATOM 3842 N N . ARG B 2 174 ? -34.570 -69.190 -5.748 1.00 71.60 ? 152 ARG B N 1 -ATOM 3843 C CA . ARG B 2 174 ? -33.299 -69.865 -5.518 1.00 69.33 ? 152 ARG B CA 1 -ATOM 3844 C C . ARG B 2 174 ? -32.078 -68.978 -5.767 1.00 77.69 ? 152 ARG B C 1 -ATOM 3845 O O . ARG B 2 174 ? -31.355 -69.145 -6.750 1.00 72.97 ? 152 ARG B O 1 -ATOM 3846 C CB . ARG B 2 174 ? -33.194 -71.130 -6.395 1.00 71.86 ? 152 ARG B CB 1 -ATOM 3847 C CG . ARG B 2 174 ? -33.785 -71.024 -7.817 1.00 70.50 ? 152 ARG B CG 1 -ATOM 3848 C CD . ARG B 2 174 ? -33.100 -72.018 -8.775 1.00 65.30 ? 152 ARG B CD 1 -ATOM 3849 N NE . ARG B 2 174 ? -33.546 -71.919 -10.172 1.00 69.13 ? 152 ARG B NE 1 -ATOM 3850 C CZ . ARG B 2 174 ? -32.763 -71.640 -11.215 1.00 66.56 ? 152 ARG B CZ 1 -ATOM 3851 N NH1 . ARG B 2 174 ? -31.468 -71.386 -11.042 1.00 67.50 ? 152 ARG B NH1 1 -ATOM 3852 N NH2 . ARG B 2 174 ? -33.284 -71.601 -12.440 1.00 63.78 ? 152 ARG B NH2 1 -ATOM 3853 N N . LEU B 2 175 ? -31.850 -68.034 -4.860 1.00 85.46 ? 153 LEU B N 1 -ATOM 3854 C CA . LEU B 2 175 ? -30.686 -67.162 -4.954 1.00 66.00 ? 153 LEU B CA 1 -ATOM 3855 C C . LEU B 2 175 ? -29.513 -67.960 -4.419 1.00 80.90 ? 153 LEU B C 1 -ATOM 3856 O O . LEU B 2 175 ? -29.705 -69.004 -3.783 1.00 91.68 ? 153 LEU B O 1 -ATOM 3857 C CB . LEU B 2 175 ? -30.887 -65.868 -4.160 1.00 72.61 ? 153 LEU B CB 1 -ATOM 3858 C CG . LEU B 2 175 ? -32.000 -64.944 -4.657 1.00 60.98 ? 153 LEU B CG 1 -ATOM 3859 C CD1 . LEU B 2 175 ? -32.275 -63.821 -3.673 1.00 56.76 ? 153 LEU B CD1 1 -ATOM 3860 C CD2 . LEU B 2 175 ? -31.663 -64.392 -6.018 1.00 65.14 ? 153 LEU B CD2 1 -ATOM 3861 N N . ARG B 2 176 ? -28.298 -67.492 -4.666 1.00 75.83 ? 154 ARG B N 1 -ATOM 3862 C CA . ARG B 2 176 ? -27.133 -68.234 -4.198 1.00 81.06 ? 154 ARG B CA 1 -ATOM 3863 C C . ARG B 2 176 ? -26.509 -67.531 -3.003 1.00 86.20 ? 154 ARG B C 1 -ATOM 3864 O O . ARG B 2 176 ? -25.412 -66.986 -3.112 1.00 94.14 ? 154 ARG B O 1 -ATOM 3865 C CB . ARG B 2 176 ? -26.109 -68.386 -5.321 1.00 84.24 ? 154 ARG B CB 1 -ATOM 3866 N N . THR B 2 177 ? -27.192 -67.531 -1.860 1.00 73.74 ? 155 THR B N 1 -ATOM 3867 C CA . THR B 2 177 ? -26.637 -66.825 -0.713 1.00 70.06 ? 155 THR B CA 1 -ATOM 3868 C C . THR B 2 177 ? -26.351 -67.742 0.463 1.00 68.76 ? 155 THR B C 1 -ATOM 3869 O O . THR B 2 177 ? -26.940 -68.826 0.583 1.00 64.57 ? 155 THR B O 1 -ATOM 3870 C CB . THR B 2 177 ? -27.600 -65.695 -0.235 1.00 55.25 ? 155 THR B CB 1 -ATOM 3871 O OG1 . THR B 2 177 ? -28.847 -66.261 0.187 1.00 62.06 ? 155 THR B OG1 1 -ATOM 3872 C CG2 . THR B 2 177 ? -27.879 -64.736 -1.372 1.00 53.56 ? 155 THR B CG2 1 -ATOM 3873 N N . ILE B 2 178 ? -25.491 -67.253 1.359 1.00 57.66 ? 156 ILE B N 1 -ATOM 3874 C CA . ILE B 2 178 ? -25.054 -67.997 2.535 1.00 53.85 ? 156 ILE B CA 1 -ATOM 3875 C C . ILE B 2 178 ? -26.181 -68.251 3.510 1.00 66.05 ? 156 ILE B C 1 -ATOM 3876 O O . ILE B 2 178 ? -25.994 -68.976 4.482 1.00 67.46 ? 156 ILE B O 1 -ATOM 3877 C CB . ILE B 2 178 ? -23.918 -67.272 3.278 1.00 64.47 ? 156 ILE B CB 1 -ATOM 3878 C CG1 . ILE B 2 178 ? -24.445 -66.020 3.982 1.00 67.82 ? 156 ILE B CG1 1 -ATOM 3879 C CG2 . ILE B 2 178 ? -22.785 -66.911 2.324 1.00 61.38 ? 156 ILE B CG2 1 -ATOM 3880 C CD1 . ILE B 2 178 ? -23.378 -65.260 4.732 1.00 56.21 ? 156 ILE B CD1 1 -ATOM 3881 N N . LEU B 2 179 ? -27.335 -67.630 3.272 1.00 62.04 ? 157 LEU B N 1 -ATOM 3882 C CA . LEU B 2 179 ? -28.527 -67.894 4.082 1.00 63.03 ? 157 LEU B CA 1 -ATOM 3883 C C . LEU B 2 179 ? -29.053 -69.302 3.808 1.00 63.79 ? 157 LEU B C 1 -ATOM 3884 O O . LEU B 2 179 ? -29.822 -69.858 4.596 1.00 62.56 ? 157 LEU B O 1 -ATOM 3885 C CB . LEU B 2 179 ? -29.625 -66.868 3.790 1.00 47.17 ? 157 LEU B CB 1 -ATOM 3886 C CG . LEU B 2 179 ? -30.862 -66.921 4.679 1.00 39.85 ? 157 LEU B CG 1 -ATOM 3887 C CD1 . LEU B 2 179 ? -30.493 -66.563 6.108 1.00 42.69 ? 157 LEU B CD1 1 -ATOM 3888 C CD2 . LEU B 2 179 ? -31.974 -66.018 4.168 1.00 53.56 ? 157 LEU B CD2 1 -ATOM 3889 N N . ASP B 2 180 ? -28.645 -69.869 2.675 1.00 69.61 ? 158 ASP B N 1 -ATOM 3890 C CA . ASP B 2 180 ? -29.040 -71.229 2.317 1.00 73.69 ? 158 ASP B CA 1 -ATOM 3891 C C . ASP B 2 180 ? -28.446 -72.243 3.294 1.00 78.23 ? 158 ASP B C 1 -ATOM 3892 O O . ASP B 2 180 ? -28.896 -73.387 3.349 1.00 86.42 ? 158 ASP B O 1 -ATOM 3893 C CB . ASP B 2 180 ? -28.619 -71.554 0.881 1.00 61.66 ? 158 ASP B CB 1 -ATOM 3894 N N . LEU B 2 181 ? -27.479 -71.795 4.101 1.00 75.53 ? 159 LEU B N 1 -ATOM 3895 C CA . LEU B 2 181 ? -26.869 -72.604 5.165 1.00 75.04 ? 159 LEU B CA 1 -ATOM 3896 C C . LEU B 2 181 ? -27.848 -72.956 6.274 1.00 78.39 ? 159 LEU B C 1 -ATOM 3897 O O . LEU B 2 181 ? -27.520 -73.713 7.184 1.00 73.34 ? 159 LEU B O 1 -ATOM 3898 C CB . LEU B 2 181 ? -25.680 -71.877 5.782 1.00 64.42 ? 159 LEU B CB 1 -ATOM 3899 C CG . LEU B 2 181 ? -24.293 -72.265 5.273 1.00 79.11 ? 159 LEU B CG 1 -ATOM 3900 C CD1 . LEU B 2 181 ? -24.199 -72.025 3.770 1.00 78.07 ? 159 LEU B CD1 1 -ATOM 3901 C CD2 . LEU B 2 181 ? -23.204 -71.481 6.028 1.00 66.09 ? 159 LEU B CD2 1 -ATOM 3902 N N . VAL B 2 182 ? -29.027 -72.349 6.228 1.00 77.07 ? 160 VAL B N 1 -ATOM 3903 C CA . VAL B 2 182 ? -30.064 -72.623 7.201 1.00 77.42 ? 160 VAL B CA 1 -ATOM 3904 C C . VAL B 2 182 ? -30.756 -73.897 6.726 1.00 90.11 ? 160 VAL B C 1 -ATOM 3905 O O . VAL B 2 182 ? -31.245 -74.682 7.540 1.00 93.14 ? 160 VAL B O 1 -ATOM 3906 C CB . VAL B 2 182 ? -31.042 -71.438 7.358 1.00 65.54 ? 160 VAL B CB 1 -ATOM 3907 C CG1 . VAL B 2 182 ? -32.138 -71.770 8.333 1.00 69.16 ? 160 VAL B CG1 1 -ATOM 3908 C CG2 . VAL B 2 182 ? -30.288 -70.226 7.856 1.00 71.53 ? 160 VAL B CG2 1 -ATOM 3909 N N . GLU B 2 183 ? -30.812 -74.081 5.402 1.00 88.76 ? 161 GLU B N 1 -ATOM 3910 C CA . GLU B 2 183 ? -31.383 -75.299 4.807 1.00 94.21 ? 161 GLU B CA 1 -ATOM 3911 C C . GLU B 2 183 ? -30.343 -76.399 4.487 1.00 97.32 ? 161 GLU B C 1 -ATOM 3912 O O . GLU B 2 183 ? -30.651 -77.587 4.583 1.00 96.63 ? 161 GLU B O 1 -ATOM 3913 C CB . GLU B 2 183 ? -32.159 -74.947 3.529 1.00 76.11 ? 161 GLU B CB 1 -ATOM 3914 C CG . GLU B 2 183 ? -33.607 -74.548 3.775 1.00 84.32 ? 161 GLU B CG 1 -ATOM 3915 N N . LYS B 2 184 ? -29.125 -76.008 4.102 1.00 96.39 ? 162 LYS B N 1 -ATOM 3916 C CA . LYS B 2 184 ? -28.066 -76.975 3.774 1.00 96.48 ? 162 LYS B CA 1 -ATOM 3917 C C . LYS B 2 184 ? -27.362 -77.577 5.009 1.00 100.98 ? 162 LYS B C 1 -ATOM 3918 O O . LYS B 2 184 ? -27.030 -78.766 5.032 1.00 94.22 ? 162 LYS B O 1 -ATOM 3919 C CB . LYS B 2 184 ? -27.025 -76.324 2.856 1.00 84.68 ? 162 LYS B CB 1 -ATOM 3920 N N . GLU B 2 185 ? -27.137 -76.749 6.027 1.00 100.72 ? 163 GLU B N 1 -ATOM 3921 C CA . GLU B 2 185 ? -26.463 -77.174 7.254 1.00 93.90 ? 163 GLU B CA 1 -ATOM 3922 C C . GLU B 2 185 ? -27.426 -77.269 8.447 1.00 98.62 ? 163 GLU B C 1 -ATOM 3923 O O . GLU B 2 185 ? -26.998 -77.365 9.601 1.00 105.51 ? 163 GLU B O 1 -ATOM 3924 C CB . GLU B 2 185 ? -25.306 -76.226 7.578 1.00 85.62 ? 163 GLU B CB 1 -ATOM 3925 N N . SER B 2 186 ? -28.723 -77.187 8.163 1.00 97.53 ? 164 SER B N 1 -ATOM 3926 C CA . SER B 2 186 ? -29.762 -77.357 9.177 1.00 99.39 ? 164 SER B CA 1 -ATOM 3927 C C . SER B 2 186 ? -31.050 -77.794 8.474 1.00 102.05 ? 164 SER B C 1 -ATOM 3928 O O . SER B 2 186 ? -31.210 -77.576 7.274 1.00 98.45 ? 164 SER B O 1 -ATOM 3929 C CB . SER B 2 186 ? -29.971 -76.072 9.985 1.00 96.92 ? 164 SER B CB 1 -ATOM 3930 N N . GLY B 2 187 ? -31.964 -78.417 9.208 1.00 103.32 ? 165 GLY B N 1 -ATOM 3931 C CA . GLY B 2 187 ? -33.193 -78.892 8.600 1.00 97.59 ? 165 GLY B CA 1 -ATOM 3932 C C . GLY B 2 187 ? -34.276 -77.832 8.540 1.00 110.97 ? 165 GLY B C 1 -ATOM 3933 O O . GLY B 2 187 ? -35.421 -78.121 8.186 1.00 111.11 ? 165 GLY B O 1 -ATOM 3934 N N . ILE B 2 188 ? -33.912 -76.596 8.871 1.00 109.65 ? 166 ILE B N 1 -ATOM 3935 C CA . ILE B 2 188 ? -34.890 -75.519 8.992 1.00 102.71 ? 166 ILE B CA 1 -ATOM 3936 C C . ILE B 2 188 ? -35.167 -74.769 7.686 1.00 102.54 ? 166 ILE B C 1 -ATOM 3937 O O . ILE B 2 188 ? -34.262 -74.202 7.074 1.00 98.63 ? 166 ILE B O 1 -ATOM 3938 C CB . ILE B 2 188 ? -34.445 -74.491 10.053 1.00 95.57 ? 166 ILE B CB 1 -ATOM 3939 N N . THR B 2 189 ? -36.425 -74.802 7.255 1.00 104.82 ? 167 THR B N 1 -ATOM 3940 C CA . THR B 2 189 ? -36.898 -73.930 6.190 1.00 97.41 ? 167 THR B CA 1 -ATOM 3941 C C . THR B 2 189 ? -37.810 -72.911 6.864 1.00 95.85 ? 167 THR B C 1 -ATOM 3942 O O . THR B 2 189 ? -38.900 -73.254 7.326 1.00 98.22 ? 167 THR B O 1 -ATOM 3943 C CB . THR B 2 189 ? -37.657 -74.695 5.081 1.00 91.86 ? 167 THR B CB 1 -ATOM 3944 N N . ILE B 2 190 ? -37.362 -71.663 6.929 1.00 99.12 ? 168 ILE B N 1 -ATOM 3945 C CA . ILE B 2 190 ? -38.173 -70.597 7.514 1.00 98.57 ? 168 ILE B CA 1 -ATOM 3946 C C . ILE B 2 190 ? -38.989 -69.894 6.433 1.00 92.96 ? 168 ILE B C 1 -ATOM 3947 O O . ILE B 2 190 ? -38.439 -69.153 5.613 1.00 86.67 ? 168 ILE B O 1 -ATOM 3948 C CB . ILE B 2 190 ? -37.299 -69.559 8.252 1.00 80.17 ? 168 ILE B CB 1 -ATOM 3949 N N . GLU B 2 191 ? -40.299 -70.129 6.442 1.00 87.80 ? 169 GLU B N 1 -ATOM 3950 C CA . GLU B 2 191 ? -41.189 -69.589 5.413 1.00 93.95 ? 169 GLU B CA 1 -ATOM 3951 C C . GLU B 2 191 ? -41.127 -68.055 5.335 1.00 91.62 ? 169 GLU B C 1 -ATOM 3952 O O . GLU B 2 191 ? -41.395 -67.354 6.317 1.00 87.37 ? 169 GLU B O 1 -ATOM 3953 C CB . GLU B 2 191 ? -42.632 -70.041 5.668 1.00 93.30 ? 169 GLU B CB 1 -ATOM 3954 N N . GLY B 2 192 ? -40.792 -67.549 4.151 1.00 86.11 ? 170 GLY B N 1 -ATOM 3955 C CA . GLY B 2 192 ? -40.643 -66.121 3.935 1.00 80.49 ? 170 GLY B CA 1 -ATOM 3956 C C . GLY B 2 192 ? -39.207 -65.647 4.071 1.00 86.23 ? 170 GLY B C 1 -ATOM 3957 O O . GLY B 2 192 ? -38.837 -64.600 3.526 1.00 71.80 ? 170 GLY B O 1 -ATOM 3958 N N . VAL B 2 193 ? -38.389 -66.430 4.775 1.00 80.47 ? 171 VAL B N 1 -ATOM 3959 C CA . VAL B 2 193 ? -36.996 -66.072 4.982 1.00 66.32 ? 171 VAL B CA 1 -ATOM 3960 C C . VAL B 2 193 ? -36.147 -66.634 3.856 1.00 76.45 ? 171 VAL B C 1 -ATOM 3961 O O . VAL B 2 193 ? -35.583 -65.852 3.088 1.00 66.21 ? 171 VAL B O 1 -ATOM 3962 C CB . VAL B 2 193 ? -36.463 -66.566 6.352 1.00 83.67 ? 171 VAL B CB 1 -ATOM 3963 C CG1 . VAL B 2 193 ? -34.941 -66.441 6.432 1.00 79.03 ? 171 VAL B CG1 1 -ATOM 3964 C CG2 . VAL B 2 193 ? -37.135 -65.809 7.481 1.00 71.00 ? 171 VAL B CG2 1 -ATOM 3965 N N . ASN B 2 194 ? -36.051 -67.963 3.741 1.00 66.58 ? 172 ASN B N 1 -ATOM 3966 C CA . ASN B 2 194 ? -35.313 -68.551 2.615 1.00 76.69 ? 172 ASN B CA 1 -ATOM 3967 C C . ASN B 2 194 ? -36.226 -69.138 1.542 1.00 70.43 ? 172 ASN B C 1 -ATOM 3968 O O . ASN B 2 194 ? -35.767 -69.834 0.635 1.00 73.53 ? 172 ASN B O 1 -ATOM 3969 C CB . ASN B 2 194 ? -34.328 -69.627 3.101 1.00 79.34 ? 172 ASN B CB 1 -ATOM 3970 C CG . ASN B 2 194 ? -34.949 -70.598 4.088 1.00 80.07 ? 172 ASN B CG 1 -ATOM 3971 O OD1 . ASN B 2 194 ? -36.175 -70.707 4.196 1.00 87.09 ? 172 ASN B OD1 1 -ATOM 3972 N ND2 . ASN B 2 194 ? -34.100 -71.299 4.829 1.00 84.96 ? 172 ASN B ND2 1 -ATOM 3973 N N . THR B 2 195 ? -37.513 -68.822 1.624 1.00 62.68 ? 173 THR B N 1 -ATOM 3974 C CA . THR B 2 195 ? -38.456 -69.199 0.574 1.00 71.41 ? 173 THR B CA 1 -ATOM 3975 C C . THR B 2 195 ? -39.281 -67.994 0.134 1.00 68.31 ? 173 THR B C 1 -ATOM 3976 O O . THR B 2 195 ? -39.559 -67.095 0.948 1.00 61.14 ? 173 THR B O 1 -ATOM 3977 C CB . THR B 2 195 ? -39.415 -70.312 1.032 1.00 70.12 ? 173 THR B CB 1 -ATOM 3978 O OG1 . THR B 2 195 ? -40.373 -69.757 1.942 1.00 64.63 ? 173 THR B OG1 1 -ATOM 3979 C CG2 . THR B 2 195 ? -38.647 -71.462 1.699 1.00 65.70 ? 173 THR B CG2 1 -ATOM 3980 N N . PRO B 2 196 ? -39.693 -67.977 -1.150 1.00 68.71 ? 174 PRO B N 1 -ATOM 3981 C CA . PRO B 2 196 ? -40.389 -66.812 -1.720 1.00 49.95 ? 174 PRO B CA 1 -ATOM 3982 C C . PRO B 2 196 ? -41.792 -66.619 -1.204 1.00 59.92 ? 174 PRO B C 1 -ATOM 3983 O O . PRO B 2 196 ? -42.491 -67.581 -0.878 1.00 62.79 ? 174 PRO B O 1 -ATOM 3984 C CB . PRO B 2 196 ? -40.412 -67.109 -3.217 1.00 58.70 ? 174 PRO B CB 1 -ATOM 3985 C CG . PRO B 2 196 ? -40.220 -68.592 -3.316 1.00 63.44 ? 174 PRO B CG 1 -ATOM 3986 C CD . PRO B 2 196 ? -39.360 -68.983 -2.172 1.00 54.53 ? 174 PRO B CD 1 -ATOM 3987 N N . TYR B 2 197 ? -42.186 -65.350 -1.162 1.00 56.54 ? 175 TYR B N 1 -ATOM 3988 C CA . TYR B 2 197 ? -43.523 -64.906 -0.796 1.00 49.73 ? 175 TYR B CA 1 -ATOM 3989 C C . TYR B 2 197 ? -44.099 -63.983 -1.875 1.00 53.19 ? 175 TYR B C 1 -ATOM 3990 O O . TYR B 2 197 ? -43.360 -63.276 -2.551 1.00 63.83 ? 175 TYR B O 1 -ATOM 3991 C CB . TYR B 2 197 ? -43.485 -64.201 0.551 1.00 60.77 ? 175 TYR B CB 1 -ATOM 3992 C CG . TYR B 2 197 ? -43.788 -65.088 1.725 1.00 68.97 ? 175 TYR B CG 1 -ATOM 3993 C CD1 . TYR B 2 197 ? -43.309 -66.378 1.785 1.00 79.61 ? 175 TYR B CD1 1 -ATOM 3994 C CD2 . TYR B 2 197 ? -44.526 -64.617 2.796 1.00 82.51 ? 175 TYR B CD2 1 -ATOM 3995 C CE1 . TYR B 2 197 ? -43.593 -67.193 2.864 1.00 83.12 ? 175 TYR B CE1 1 -ATOM 3996 C CE2 . TYR B 2 197 ? -44.818 -65.422 3.880 1.00 84.71 ? 175 TYR B CE2 1 -ATOM 3997 C CZ . TYR B 2 197 ? -44.342 -66.709 3.911 1.00 88.84 ? 175 TYR B CZ 1 -ATOM 3998 O OH . TYR B 2 197 ? -44.617 -67.524 4.990 1.00 111.36 ? 175 TYR B OH 1 -ATOM 3999 N N . LEU B 2 198 ? -45.413 -64.032 -2.062 1.00 56.53 ? 176 LEU B N 1 -ATOM 4000 C CA . LEU B 2 198 ? -46.109 -63.176 -3.015 1.00 50.77 ? 176 LEU B CA 1 -ATOM 4001 C C . LEU B 2 198 ? -46.953 -62.160 -2.290 1.00 53.87 ? 176 LEU B C 1 -ATOM 4002 O O . LEU B 2 198 ? -47.607 -62.485 -1.310 1.00 62.02 ? 176 LEU B O 1 -ATOM 4003 C CB . LEU B 2 198 ? -46.999 -63.993 -3.951 1.00 50.57 ? 176 LEU B CB 1 -ATOM 4004 C CG . LEU B 2 198 ? -46.328 -64.708 -5.117 1.00 65.58 ? 176 LEU B CG 1 -ATOM 4005 C CD1 . LEU B 2 198 ? -47.351 -65.551 -5.866 1.00 53.54 ? 176 LEU B CD1 1 -ATOM 4006 C CD2 . LEU B 2 198 ? -45.695 -63.677 -6.045 1.00 52.59 ? 176 LEU B CD2 1 -ATOM 4007 N N . TYR B 2 199 ? -46.939 -60.926 -2.772 1.00 49.75 ? 177 TYR B N 1 -ATOM 4008 C CA . TYR B 2 199 ? -47.698 -59.865 -2.143 1.00 46.04 ? 177 TYR B CA 1 -ATOM 4009 C C . TYR B 2 199 ? -48.602 -59.222 -3.180 1.00 51.28 ? 177 TYR B C 1 -ATOM 4010 O O . TYR B 2 199 ? -48.140 -58.507 -4.050 1.00 52.46 ? 177 TYR B O 1 -ATOM 4011 C CB . TYR B 2 199 ? -46.765 -58.826 -1.504 1.00 50.67 ? 177 TYR B CB 1 -ATOM 4012 C CG . TYR B 2 199 ? -46.124 -59.298 -0.231 1.00 42.13 ? 177 TYR B CG 1 -ATOM 4013 C CD1 . TYR B 2 199 ? -44.936 -60.029 -0.245 1.00 50.54 ? 177 TYR B CD1 1 -ATOM 4014 C CD2 . TYR B 2 199 ? -46.717 -59.027 0.997 1.00 52.28 ? 177 TYR B CD2 1 -ATOM 4015 C CE1 . TYR B 2 199 ? -44.356 -60.474 0.934 1.00 53.41 ? 177 TYR B CE1 1 -ATOM 4016 C CE2 . TYR B 2 199 ? -46.150 -59.467 2.187 1.00 53.77 ? 177 TYR B CE2 1 -ATOM 4017 C CZ . TYR B 2 199 ? -44.964 -60.186 2.152 1.00 59.92 ? 177 TYR B CZ 1 -ATOM 4018 O OH . TYR B 2 199 ? -44.395 -60.625 3.338 1.00 60.29 ? 177 TYR B OH 1 -ATOM 4019 N N . PHE B 2 200 ? -49.891 -59.521 -3.102 1.00 52.81 ? 178 PHE B N 1 -ATOM 4020 C CA . PHE B 2 200 ? -50.876 -58.920 -3.977 1.00 47.63 ? 178 PHE B CA 1 -ATOM 4021 C C . PHE B 2 200 ? -51.456 -57.729 -3.255 1.00 54.47 ? 178 PHE B C 1 -ATOM 4022 O O . PHE B 2 200 ? -52.047 -57.888 -2.202 1.00 53.53 ? 178 PHE B O 1 -ATOM 4023 C CB . PHE B 2 200 ? -51.979 -59.918 -4.336 1.00 58.02 ? 178 PHE B CB 1 -ATOM 4024 C CG . PHE B 2 200 ? -51.489 -61.093 -5.117 1.00 58.10 ? 178 PHE B CG 1 -ATOM 4025 C CD1 . PHE B 2 200 ? -51.356 -61.018 -6.489 1.00 62.83 ? 178 PHE B CD1 1 -ATOM 4026 C CD2 . PHE B 2 200 ? -51.117 -62.259 -4.471 1.00 49.75 ? 178 PHE B CD2 1 -ATOM 4027 C CE1 . PHE B 2 200 ? -50.891 -62.090 -7.207 1.00 60.49 ? 178 PHE B CE1 1 -ATOM 4028 C CE2 . PHE B 2 200 ? -50.644 -63.329 -5.180 1.00 59.92 ? 178 PHE B CE2 1 -ATOM 4029 C CZ . PHE B 2 200 ? -50.535 -63.248 -6.551 1.00 66.46 ? 178 PHE B CZ 1 -ATOM 4030 N N . GLY B 2 201 ? -51.272 -56.533 -3.800 1.00 52.77 ? 179 GLY B N 1 -ATOM 4031 C CA . GLY B 2 201 ? -51.749 -55.344 -3.124 1.00 47.69 ? 179 GLY B CA 1 -ATOM 4032 C C . GLY B 2 201 ? -52.797 -54.564 -3.879 1.00 42.55 ? 179 GLY B C 1 -ATOM 4033 O O . GLY B 2 201 ? -52.997 -54.763 -5.061 1.00 49.68 ? 179 GLY B O 1 -ATOM 4034 N N . MET B 2 202 ? -53.482 -53.681 -3.172 1.00 47.46 ? 180 MET B N 1 -ATOM 4035 C CA . MET B 2 202 ? -54.372 -52.734 -3.801 1.00 42.92 ? 180 MET B CA 1 -ATOM 4036 C C . MET B 2 202 ? -54.090 -51.366 -3.213 1.00 49.76 ? 180 MET B C 1 -ATOM 4037 O O . MET B 2 202 ? -53.217 -51.219 -2.352 1.00 51.97 ? 180 MET B O 1 -ATOM 4038 C CB . MET B 2 202 ? -55.837 -53.105 -3.597 1.00 44.61 ? 180 MET B CB 1 -ATOM 4039 C CG . MET B 2 202 ? -56.320 -52.881 -2.188 1.00 43.46 ? 180 MET B CG 1 -ATOM 4040 S SD . MET B 2 202 ? -58.044 -53.337 -1.998 1.00 63.42 ? 180 MET B SD 1 -ATOM 4041 C CE . MET B 2 202 ? -58.017 -55.057 -2.518 1.00 52.47 ? 180 MET B CE 1 -ATOM 4042 N N . TRP B 2 203 ? -54.821 -50.369 -3.698 1.00 48.54 ? 181 TRP B N 1 -ATOM 4043 C CA . TRP B 2 203 ? -54.569 -48.992 -3.336 1.00 45.97 ? 181 TRP B CA 1 -ATOM 4044 C C . TRP B 2 203 ? -54.645 -48.829 -1.857 1.00 49.87 ? 181 TRP B C 1 -ATOM 4045 O O . TRP B 2 203 ? -55.612 -49.258 -1.236 1.00 53.06 ? 181 TRP B O 1 -ATOM 4046 C CB . TRP B 2 203 ? -55.560 -48.042 -4.007 1.00 43.58 ? 181 TRP B CB 1 -ATOM 4047 C CG . TRP B 2 203 ? -55.675 -46.717 -3.320 1.00 46.48 ? 181 TRP B CG 1 -ATOM 4048 C CD1 . TRP B 2 203 ? -56.778 -46.191 -2.723 1.00 44.74 ? 181 TRP B CD1 1 -ATOM 4049 C CD2 . TRP B 2 203 ? -54.623 -45.758 -3.136 1.00 45.92 ? 181 TRP B CD2 1 -ATOM 4050 N NE1 . TRP B 2 203 ? -56.495 -44.951 -2.202 1.00 48.68 ? 181 TRP B NE1 1 -ATOM 4051 C CE2 . TRP B 2 203 ? -55.173 -44.663 -2.438 1.00 42.08 ? 181 TRP B CE2 1 -ATOM 4052 C CE3 . TRP B 2 203 ? -53.273 -45.720 -3.499 1.00 47.03 ? 181 TRP B CE3 1 -ATOM 4053 C CZ2 . TRP B 2 203 ? -54.421 -43.540 -2.084 1.00 50.28 ? 181 TRP B CZ2 1 -ATOM 4054 C CZ3 . TRP B 2 203 ? -52.511 -44.598 -3.142 1.00 50.04 ? 181 TRP B CZ3 1 -ATOM 4055 C CH2 . TRP B 2 203 ? -53.093 -43.521 -2.439 1.00 43.85 ? 181 TRP B CH2 1 -ATOM 4056 N N . LYS B 2 204 ? -53.605 -48.208 -1.314 1.00 44.73 ? 182 LYS B N 1 -ATOM 4057 C CA . LYS B 2 204 ? -53.516 -47.855 0.092 1.00 36.02 ? 182 LYS B CA 1 -ATOM 4058 C C . LYS B 2 204 ? -53.114 -49.006 1.011 1.00 38.42 ? 182 LYS B C 1 -ATOM 4059 O O . LYS B 2 204 ? -52.995 -48.802 2.213 1.00 48.54 ? 182 LYS B O 1 -ATOM 4060 C CB . LYS B 2 204 ? -54.837 -47.245 0.571 1.00 36.12 ? 182 LYS B CB 1 -ATOM 4061 C CG . LYS B 2 204 ? -54.684 -45.882 1.217 1.00 42.48 ? 182 LYS B CG 1 -ATOM 4062 C CD . LYS B 2 204 ? -56.036 -45.185 1.327 1.00 56.40 ? 182 LYS B CD 1 -ATOM 4063 C CE . LYS B 2 204 ? -57.023 -46.074 2.016 1.00 39.89 ? 182 LYS B CE 1 -ATOM 4064 N NZ . LYS B 2 204 ? -58.347 -45.463 2.168 1.00 57.61 ? 182 LYS B NZ 1 -ATOM 4065 N N . THR B 2 205 ? -52.915 -50.215 0.501 1.00 35.11 ? 183 THR B N 1 -ATOM 4066 C CA . THR B 2 205 ? -52.359 -51.199 1.407 1.00 34.32 ? 183 THR B CA 1 -ATOM 4067 C C . THR B 2 205 ? -50.935 -50.772 1.638 1.00 43.11 ? 183 THR B C 1 -ATOM 4068 O O . THR B 2 205 ? -50.287 -50.250 0.731 1.00 40.96 ? 183 THR B O 1 -ATOM 4069 C CB . THR B 2 205 ? -52.412 -52.641 0.891 1.00 42.40 ? 183 THR B CB 1 -ATOM 4070 O OG1 . THR B 2 205 ? -51.568 -52.791 -0.252 1.00 37.89 ? 183 THR B OG1 1 -ATOM 4071 C CG2 . THR B 2 205 ? -53.871 -53.072 0.577 1.00 40.58 ? 183 THR B CG2 1 -ATOM 4072 N N . SER B 2 206 ? -50.455 -50.983 2.857 1.00 50.37 ? 184 SER B N 1 -ATOM 4073 C CA . SER B 2 206 ? -49.128 -50.543 3.239 1.00 44.14 ? 184 SER B CA 1 -ATOM 4074 C C . SER B 2 206 ? -48.381 -51.591 4.030 1.00 45.94 ? 184 SER B C 1 -ATOM 4075 O O . SER B 2 206 ? -48.951 -52.605 4.437 1.00 52.69 ? 184 SER B O 1 -ATOM 4076 C CB . SER B 2 206 ? -49.214 -49.258 4.054 1.00 40.60 ? 184 SER B CB 1 -ATOM 4077 O OG . SER B 2 206 ? -50.257 -49.282 5.021 1.00 55.95 ? 184 SER B OG 1 -ATOM 4078 N N . PHE B 2 207 ? -47.089 -51.341 4.216 1.00 43.18 ? 185 PHE B N 1 -ATOM 4079 C CA . PHE B 2 207 ? -46.260 -52.114 5.115 1.00 36.19 ? 185 PHE B CA 1 -ATOM 4080 C C . PHE B 2 207 ? -45.695 -51.126 6.111 1.00 49.33 ? 185 PHE B C 1 -ATOM 4081 O O . PHE B 2 207 ? -45.317 -50.000 5.732 1.00 42.95 ? 185 PHE B O 1 -ATOM 4082 C CB . PHE B 2 207 ? -45.162 -52.912 4.371 1.00 34.08 ? 185 PHE B CB 1 -ATOM 4083 C CG . PHE B 2 207 ? -44.436 -52.153 3.271 1.00 41.73 ? 185 PHE B CG 1 -ATOM 4084 C CD1 . PHE B 2 207 ? -45.058 -51.849 2.061 1.00 37.96 ? 185 PHE B CD1 1 -ATOM 4085 C CD2 . PHE B 2 207 ? -43.089 -51.810 3.427 1.00 44.41 ? 185 PHE B CD2 1 -ATOM 4086 C CE1 . PHE B 2 207 ? -44.372 -51.183 1.055 1.00 50.41 ? 185 PHE B CE1 1 -ATOM 4087 C CE2 . PHE B 2 207 ? -42.384 -51.137 2.429 1.00 32.83 ? 185 PHE B CE2 1 -ATOM 4088 C CZ . PHE B 2 207 ? -43.018 -50.828 1.237 1.00 42.32 ? 185 PHE B CZ 1 -ATOM 4089 N N . ALA B 2 208 ? -45.720 -51.521 7.386 1.00 41.67 ? 186 ALA B N 1 -ATOM 4090 C CA . ALA B 2 208 ? -45.301 -50.662 8.477 1.00 40.59 ? 186 ALA B CA 1 -ATOM 4091 C C . ALA B 2 208 ? -43.778 -50.581 8.562 1.00 38.77 ? 186 ALA B C 1 -ATOM 4092 O O . ALA B 2 208 ? -43.076 -51.304 7.855 1.00 39.42 ? 186 ALA B O 1 -ATOM 4093 C CB . ALA B 2 208 ? -45.874 -51.151 9.768 1.00 39.02 ? 186 ALA B CB 1 -ATOM 4094 N N . TRP B 2 209 ? -43.288 -49.700 9.434 1.00 35.68 ? 187 TRP B N 1 -ATOM 4095 C CA . TRP B 2 209 ? -41.853 -49.500 9.661 1.00 39.01 ? 187 TRP B CA 1 -ATOM 4096 C C . TRP B 2 209 ? -41.208 -50.711 10.304 1.00 38.66 ? 187 TRP B C 1 -ATOM 4097 O O . TRP B 2 209 ? -41.530 -51.039 11.438 1.00 36.07 ? 187 TRP B O 1 -ATOM 4098 C CB . TRP B 2 209 ? -41.612 -48.308 10.578 1.00 30.27 ? 187 TRP B CB 1 -ATOM 4099 C CG . TRP B 2 209 ? -41.747 -47.018 9.926 1.00 42.73 ? 187 TRP B CG 1 -ATOM 4100 C CD1 . TRP B 2 209 ? -42.804 -46.136 10.017 1.00 41.67 ? 187 TRP B CD1 1 -ATOM 4101 C CD2 . TRP B 2 209 ? -40.786 -46.413 9.074 1.00 34.16 ? 187 TRP B CD2 1 -ATOM 4102 N NE1 . TRP B 2 209 ? -42.554 -45.027 9.236 1.00 40.17 ? 187 TRP B NE1 1 -ATOM 4103 C CE2 . TRP B 2 209 ? -41.319 -45.177 8.648 1.00 48.44 ? 187 TRP B CE2 1 -ATOM 4104 C CE3 . TRP B 2 209 ? -39.535 -46.811 8.594 1.00 40.03 ? 187 TRP B CE3 1 -ATOM 4105 C CZ2 . TRP B 2 209 ? -40.625 -44.332 7.783 1.00 29.98 ? 187 TRP B CZ2 1 -ATOM 4106 C CZ3 . TRP B 2 209 ? -38.855 -45.979 7.740 1.00 38.35 ? 187 TRP B CZ3 1 -ATOM 4107 C CH2 . TRP B 2 209 ? -39.405 -44.742 7.346 1.00 41.86 ? 187 TRP B CH2 1 -ATOM 4108 N N . HIS B 2 210 ? -40.253 -51.327 9.627 1.00 41.10 ? 188 HIS B N 1 -ATOM 4109 C CA . HIS B 2 210 ? -39.609 -52.507 10.176 1.00 40.20 ? 188 HIS B CA 1 -ATOM 4110 C C . HIS B 2 210 ? -38.272 -52.667 9.502 1.00 38.53 ? 188 HIS B C 1 -ATOM 4111 O O . HIS B 2 210 ? -38.080 -52.135 8.429 1.00 39.53 ? 188 HIS B O 1 -ATOM 4112 C CB . HIS B 2 210 ? -40.458 -53.752 9.923 1.00 41.53 ? 188 HIS B CB 1 -ATOM 4113 C CG . HIS B 2 210 ? -40.572 -54.090 8.467 1.00 35.00 ? 188 HIS B CG 1 -ATOM 4114 N ND1 . HIS B 2 210 ? -41.446 -53.442 7.613 1.00 36.72 ? 188 HIS B ND1 1 -ATOM 4115 C CD2 . HIS B 2 210 ? -39.856 -54.940 7.694 1.00 39.04 ? 188 HIS B CD2 1 -ATOM 4116 C CE1 . HIS B 2 210 ? -41.289 -53.904 6.386 1.00 34.86 ? 188 HIS B CE1 1 -ATOM 4117 N NE2 . HIS B 2 210 ? -40.337 -54.826 6.411 1.00 41.88 ? 188 HIS B NE2 1 -ATOM 4118 N N . THR B 2 211 ? -37.347 -53.373 10.152 1.00 43.99 ? 189 THR B N 1 -ATOM 4119 C CA . THR B 2 211 ? -36.236 -54.025 9.468 1.00 38.37 ? 189 THR B CA 1 -ATOM 4120 C C . THR B 2 211 ? -36.609 -55.501 9.201 1.00 46.70 ? 189 THR B C 1 -ATOM 4121 O O . THR B 2 211 ? -37.626 -56.000 9.693 1.00 49.05 ? 189 THR B O 1 -ATOM 4122 C CB . THR B 2 211 ? -34.944 -53.972 10.297 1.00 41.07 ? 189 THR B CB 1 -ATOM 4123 O OG1 . THR B 2 211 ? -35.091 -54.732 11.496 1.00 41.40 ? 189 THR B OG1 1 -ATOM 4124 C CG2 . THR B 2 211 ? -34.592 -52.527 10.655 1.00 41.36 ? 189 THR B CG2 1 -ATOM 4125 N N . GLU B 2 212 ? -35.802 -56.206 8.419 1.00 49.47 ? 190 GLU B N 1 -ATOM 4126 C CA . GLU B 2 212 ? -36.124 -57.589 8.104 1.00 48.30 ? 190 GLU B CA 1 -ATOM 4127 C C . GLU B 2 212 ? -35.810 -58.477 9.304 1.00 52.30 ? 190 GLU B C 1 -ATOM 4128 O O . GLU B 2 212 ? -35.064 -58.075 10.210 1.00 46.68 ? 190 GLU B O 1 -ATOM 4129 C CB . GLU B 2 212 ? -35.368 -58.057 6.864 1.00 48.10 ? 190 GLU B CB 1 -ATOM 4130 C CG . GLU B 2 212 ? -35.715 -57.282 5.612 1.00 48.69 ? 190 GLU B CG 1 -ATOM 4131 C CD . GLU B 2 212 ? -37.212 -57.361 5.216 1.00 58.75 ? 190 GLU B CD 1 -ATOM 4132 O OE1 . GLU B 2 212 ? -37.805 -58.470 5.221 1.00 44.59 ? 190 GLU B OE1 1 -ATOM 4133 O OE2 . GLU B 2 212 ? -37.793 -56.303 4.862 1.00 40.87 ? 190 GLU B OE2 1 -ATOM 4134 N N . ASP B 2 213 ? -36.407 -59.668 9.327 1.00 54.00 ? 191 ASP B N 1 -ATOM 4135 C CA . ASP B 2 213 ? -36.168 -60.620 10.401 1.00 54.00 ? 191 ASP B CA 1 -ATOM 4136 C C . ASP B 2 213 ? -34.672 -60.901 10.454 1.00 38.97 ? 191 ASP B C 1 -ATOM 4137 O O . ASP B 2 213 ? -34.034 -61.022 9.417 1.00 44.95 ? 191 ASP B O 1 -ATOM 4138 C CB . ASP B 2 213 ? -36.964 -61.921 10.178 1.00 61.24 ? 191 ASP B CB 1 -ATOM 4139 C CG . ASP B 2 213 ? -38.448 -61.794 10.562 1.00 75.14 ? 191 ASP B CG 1 -ATOM 4140 O OD1 . ASP B 2 213 ? -38.789 -60.933 11.413 1.00 81.69 ? 191 ASP B OD1 1 -ATOM 4141 O OD2 . ASP B 2 213 ? -39.276 -62.561 10.006 1.00 69.30 ? 191 ASP B OD2 1 -ATOM 4142 N N . MET B 2 214 ? -34.118 -60.942 11.660 1.00 37.78 ? 192 MET B N 1 -ATOM 4143 C CA . MET B 2 214 ? -32.691 -61.154 11.886 1.00 48.32 ? 192 MET B CA 1 -ATOM 4144 C C . MET B 2 214 ? -31.827 -60.104 11.197 1.00 52.39 ? 192 MET B C 1 -ATOM 4145 O O . MET B 2 214 ? -30.644 -60.337 10.913 1.00 39.89 ? 192 MET B O 1 -ATOM 4146 C CB . MET B 2 214 ? -32.298 -62.558 11.421 1.00 52.09 ? 192 MET B CB 1 -ATOM 4147 C CG . MET B 2 214 ? -31.474 -63.309 12.438 1.00 67.38 ? 192 MET B CG 1 -ATOM 4148 S SD . MET B 2 214 ? -32.416 -63.622 13.944 1.00 61.98 ? 192 MET B SD 1 -ATOM 4149 C CE . MET B 2 214 ? -31.048 -63.897 15.079 1.00 60.96 ? 192 MET B CE 1 -ATOM 4150 N N . ASP B 2 215 ? -32.448 -58.963 10.908 1.00 48.81 ? 193 ASP B N 1 -ATOM 4151 C CA . ASP B 2 215 ? -31.792 -57.830 10.264 1.00 43.99 ? 193 ASP B CA 1 -ATOM 4152 C C . ASP B 2 215 ? -31.054 -58.229 9.003 1.00 50.98 ? 193 ASP B C 1 -ATOM 4153 O O . ASP B 2 215 ? -29.949 -57.744 8.728 1.00 49.31 ? 193 ASP B O 1 -ATOM 4154 C CB . ASP B 2 215 ? -30.851 -57.144 11.246 1.00 41.79 ? 193 ASP B CB 1 -ATOM 4155 C CG . ASP B 2 215 ? -31.605 -56.369 12.322 1.00 48.85 ? 193 ASP B CG 1 -ATOM 4156 O OD1 . ASP B 2 215 ? -32.837 -56.157 12.171 1.00 48.72 ? 193 ASP B OD1 1 -ATOM 4157 O OD2 . ASP B 2 215 ? -30.981 -55.996 13.336 1.00 56.30 ? 193 ASP B OD2 1 -ATOM 4158 N N . LEU B 2 216 ? -31.723 -59.070 8.216 1.00 46.05 ? 194 LEU B N 1 -ATOM 4159 C CA . LEU B 2 216 ? -31.202 -59.606 6.964 1.00 38.67 ? 194 LEU B CA 1 -ATOM 4160 C C . LEU B 2 216 ? -31.367 -58.629 5.818 1.00 43.16 ? 194 LEU B C 1 -ATOM 4161 O O . LEU B 2 216 ? -31.969 -57.568 5.985 1.00 48.24 ? 194 LEU B O 1 -ATOM 4162 C CB . LEU B 2 216 ? -31.954 -60.902 6.610 1.00 39.61 ? 194 LEU B CB 1 -ATOM 4163 C CG . LEU B 2 216 ? -31.688 -62.189 7.379 1.00 43.19 ? 194 LEU B CG 1 -ATOM 4164 C CD1 . LEU B 2 216 ? -32.884 -63.114 7.290 1.00 49.81 ? 194 LEU B CD1 1 -ATOM 4165 C CD2 . LEU B 2 216 ? -30.451 -62.862 6.801 1.00 39.91 ? 194 LEU B CD2 1 -ATOM 4166 N N . TYR B 2 217 ? -30.882 -59.010 4.637 1.00 36.34 ? 195 TYR B N 1 -ATOM 4167 C CA . TYR B 2 217 ? -31.250 -58.307 3.421 1.00 30.36 ? 195 TYR B CA 1 -ATOM 4168 C C . TYR B 2 217 ? -32.575 -58.822 2.954 1.00 45.14 ? 195 TYR B C 1 -ATOM 4169 O O . TYR B 2 217 ? -32.991 -59.927 3.321 1.00 50.75 ? 195 TYR B O 1 -ATOM 4170 C CB . TYR B 2 217 ? -30.259 -58.497 2.289 1.00 36.49 ? 195 TYR B CB 1 -ATOM 4171 C CG . TYR B 2 217 ? -28.823 -58.071 2.503 1.00 41.03 ? 195 TYR B CG 1 -ATOM 4172 C CD1 . TYR B 2 217 ? -28.014 -58.703 3.440 1.00 35.25 ? 195 TYR B CD1 1 -ATOM 4173 C CD2 . TYR B 2 217 ? -28.249 -57.105 1.686 1.00 45.29 ? 195 TYR B CD2 1 -ATOM 4174 C CE1 . TYR B 2 217 ? -26.696 -58.338 3.596 1.00 45.56 ? 195 TYR B CE1 1 -ATOM 4175 C CE2 . TYR B 2 217 ? -26.937 -56.734 1.836 1.00 48.62 ? 195 TYR B CE2 1 -ATOM 4176 C CZ . TYR B 2 217 ? -26.160 -57.346 2.790 1.00 48.20 ? 195 TYR B CZ 1 -ATOM 4177 O OH . TYR B 2 217 ? -24.848 -56.955 2.932 1.00 41.74 ? 195 TYR B OH 1 -ATOM 4178 N N . SER B 2 218 ? -33.251 -58.021 2.143 1.00 41.01 ? 196 SER B N 1 -ATOM 4179 C CA . SER B 2 218 ? -34.418 -58.500 1.446 1.00 41.96 ? 196 SER B CA 1 -ATOM 4180 C C . SER B 2 218 ? -34.300 -58.083 -0.002 1.00 50.47 ? 196 SER B C 1 -ATOM 4181 O O . SER B 2 218 ? -33.504 -57.205 -0.362 1.00 40.86 ? 196 SER B O 1 -ATOM 4182 C CB . SER B 2 218 ? -35.710 -57.988 2.085 1.00 53.70 ? 196 SER B CB 1 -ATOM 4183 O OG . SER B 2 218 ? -35.998 -56.650 1.725 1.00 56.10 ? 196 SER B OG 1 -ATOM 4184 N N . ILE B 2 219 ? -35.061 -58.772 -0.832 1.00 38.71 ? 197 ILE B N 1 -ATOM 4185 C CA . ILE B 2 219 ? -35.167 -58.481 -2.236 1.00 33.70 ? 197 ILE B CA 1 -ATOM 4186 C C . ILE B 2 219 ? -36.662 -58.454 -2.522 1.00 44.25 ? 197 ILE B C 1 -ATOM 4187 O O . ILE B 2 219 ? -37.423 -59.190 -1.885 1.00 54.51 ? 197 ILE B O 1 -ATOM 4188 C CB . ILE B 2 219 ? -34.386 -59.527 -3.071 1.00 46.13 ? 197 ILE B CB 1 -ATOM 4189 C CG1 . ILE B 2 219 ? -34.291 -59.103 -4.524 1.00 52.27 ? 197 ILE B CG1 1 -ATOM 4190 C CG2 . ILE B 2 219 ? -34.989 -60.936 -2.911 1.00 52.06 ? 197 ILE B CG2 1 -ATOM 4191 C CD1 . ILE B 2 219 ? -33.697 -60.168 -5.393 1.00 52.03 ? 197 ILE B CD1 1 -ATOM 4192 N N . ASN B 2 220 ? -37.101 -57.570 -3.413 1.00 47.69 ? 198 ASN B N 1 -ATOM 4193 C CA . ASN B 2 220 ? -38.528 -57.390 -3.701 1.00 44.81 ? 198 ASN B CA 1 -ATOM 4194 C C . ASN B 2 220 ? -38.641 -57.042 -5.177 1.00 48.19 ? 198 ASN B C 1 -ATOM 4195 O O . ASN B 2 220 ? -38.125 -56.013 -5.624 1.00 53.58 ? 198 ASN B O 1 -ATOM 4196 C CB . ASN B 2 220 ? -39.132 -56.296 -2.785 1.00 38.99 ? 198 ASN B CB 1 -ATOM 4197 C CG . ASN B 2 220 ? -40.667 -56.084 -2.965 1.00 47.74 ? 198 ASN B CG 1 -ATOM 4198 O OD1 . ASN B 2 220 ? -41.147 -55.721 -4.041 1.00 40.94 ? 198 ASN B OD1 1 -ATOM 4199 N ND2 . ASN B 2 220 ? -41.409 -56.184 -1.859 1.00 39.63 ? 198 ASN B ND2 1 -ATOM 4200 N N . TYR B 2 221 ? -39.309 -57.903 -5.939 1.00 47.40 ? 199 TYR B N 1 -ATOM 4201 C CA . TYR B 2 221 ? -39.504 -57.686 -7.372 1.00 40.76 ? 199 TYR B CA 1 -ATOM 4202 C C . TYR B 2 221 ? -40.959 -57.419 -7.647 1.00 40.31 ? 199 TYR B C 1 -ATOM 4203 O O . TYR B 2 221 ? -41.806 -58.068 -7.062 1.00 54.34 ? 199 TYR B O 1 -ATOM 4204 C CB . TYR B 2 221 ? -38.997 -58.883 -8.203 1.00 42.79 ? 199 TYR B CB 1 -ATOM 4205 C CG . TYR B 2 221 ? -39.222 -58.700 -9.677 1.00 52.90 ? 199 TYR B CG 1 -ATOM 4206 C CD1 . TYR B 2 221 ? -38.437 -57.819 -10.423 1.00 55.67 ? 199 TYR B CD1 1 -ATOM 4207 C CD2 . TYR B 2 221 ? -40.250 -59.371 -10.323 1.00 47.51 ? 199 TYR B CD2 1 -ATOM 4208 C CE1 . TYR B 2 221 ? -38.674 -57.631 -11.784 1.00 50.83 ? 199 TYR B CE1 1 -ATOM 4209 C CE2 . TYR B 2 221 ? -40.486 -59.195 -11.677 1.00 47.71 ? 199 TYR B CE2 1 -ATOM 4210 C CZ . TYR B 2 221 ? -39.697 -58.329 -12.402 1.00 56.27 ? 199 TYR B CZ 1 -ATOM 4211 O OH . TYR B 2 221 ? -39.943 -58.170 -13.750 1.00 62.10 ? 199 TYR B OH 1 -ATOM 4212 N N . LEU B 2 222 ? -41.256 -56.427 -8.487 1.00 42.63 ? 200 LEU B N 1 -ATOM 4213 C CA . LEU B 2 222 ? -42.649 -56.039 -8.777 1.00 47.82 ? 200 LEU B CA 1 -ATOM 4214 C C . LEU B 2 222 ? -43.125 -56.607 -10.123 1.00 49.73 ? 200 LEU B C 1 -ATOM 4215 O O . LEU B 2 222 ? -42.872 -56.039 -11.188 1.00 52.73 ? 200 LEU B O 1 -ATOM 4216 C CB . LEU B 2 222 ? -42.804 -54.504 -8.743 1.00 48.12 ? 200 LEU B CB 1 -ATOM 4217 C CG . LEU B 2 222 ? -44.231 -53.952 -8.853 1.00 48.60 ? 200 LEU B CG 1 -ATOM 4218 C CD1 . LEU B 2 222 ? -45.124 -54.599 -7.825 1.00 48.27 ? 200 LEU B CD1 1 -ATOM 4219 C CD2 . LEU B 2 222 ? -44.273 -52.406 -8.673 1.00 50.43 ? 200 LEU B CD2 1 -ATOM 4220 N N . HIS B 2 223 ? -43.785 -57.756 -10.073 1.00 56.93 ? 201 HIS B N 1 -ATOM 4221 C CA . HIS B 2 223 ? -44.173 -58.481 -11.285 1.00 53.08 ? 201 HIS B CA 1 -ATOM 4222 C C . HIS B 2 223 ? -45.039 -57.659 -12.253 1.00 40.41 ? 201 HIS B C 1 -ATOM 4223 O O . HIS B 2 223 ? -44.798 -57.641 -13.459 1.00 48.34 ? 201 HIS B O 1 -ATOM 4224 C CB . HIS B 2 223 ? -44.881 -59.775 -10.879 1.00 47.00 ? 201 HIS B CB 1 -ATOM 4225 C CG . HIS B 2 223 ? -43.933 -60.862 -10.489 1.00 46.21 ? 201 HIS B CG 1 -ATOM 4226 N ND1 . HIS B 2 223 ? -42.868 -61.239 -11.281 1.00 51.61 ? 201 HIS B ND1 1 -ATOM 4227 C CD2 . HIS B 2 223 ? -43.832 -61.589 -9.355 1.00 41.97 ? 201 HIS B CD2 1 -ATOM 4228 C CE1 . HIS B 2 223 ? -42.175 -62.178 -10.668 1.00 50.61 ? 201 HIS B CE1 1 -ATOM 4229 N NE2 . HIS B 2 223 ? -42.745 -62.417 -9.500 1.00 54.93 ? 201 HIS B NE2 1 -ATOM 4230 N N . PHE B 2 224 ? -46.057 -56.999 -11.733 1.00 41.54 ? 202 PHE B N 1 -ATOM 4231 C CA . PHE B 2 224 ? -46.934 -56.235 -12.591 1.00 47.25 ? 202 PHE B CA 1 -ATOM 4232 C C . PHE B 2 224 ? -47.786 -55.257 -11.824 1.00 47.70 ? 202 PHE B C 1 -ATOM 4233 O O . PHE B 2 224 ? -47.729 -55.183 -10.611 1.00 53.99 ? 202 PHE B O 1 -ATOM 4234 C CB . PHE B 2 224 ? -47.838 -57.173 -13.390 1.00 54.47 ? 202 PHE B CB 1 -ATOM 4235 C CG . PHE B 2 224 ? -48.707 -58.050 -12.540 1.00 53.08 ? 202 PHE B CG 1 -ATOM 4236 C CD1 . PHE B 2 224 ? -49.892 -57.571 -12.002 1.00 53.97 ? 202 PHE B CD1 1 -ATOM 4237 C CD2 . PHE B 2 224 ? -48.336 -59.366 -12.285 1.00 55.82 ? 202 PHE B CD2 1 -ATOM 4238 C CE1 . PHE B 2 224 ? -50.702 -58.393 -11.235 1.00 53.52 ? 202 PHE B CE1 1 -ATOM 4239 C CE2 . PHE B 2 224 ? -49.147 -60.198 -11.521 1.00 52.18 ? 202 PHE B CE2 1 -ATOM 4240 C CZ . PHE B 2 224 ? -50.325 -59.703 -10.992 1.00 57.59 ? 202 PHE B CZ 1 -ATOM 4241 N N . GLY B 2 225 ? -48.594 -54.511 -12.556 1.00 44.83 ? 203 GLY B N 1 -ATOM 4242 C CA . GLY B 2 225 ? -49.594 -53.667 -11.948 1.00 50.18 ? 203 GLY B CA 1 -ATOM 4243 C C . GLY B 2 225 ? -48.971 -52.353 -11.584 1.00 58.52 ? 203 GLY B C 1 -ATOM 4244 O O . GLY B 2 225 ? -47.823 -52.091 -11.967 1.00 46.81 ? 203 GLY B O 1 -ATOM 4245 N N . GLU B 2 226 ? -49.698 -51.593 -10.767 1.00 44.02 ? 204 GLU B N 1 -ATOM 4246 C CA . GLU B 2 226 ? -49.369 -50.227 -10.438 1.00 47.67 ? 204 GLU B CA 1 -ATOM 4247 C C . GLU B 2 226 ? -48.172 -50.128 -9.479 1.00 57.86 ? 204 GLU B C 1 -ATOM 4248 O O . GLU B 2 226 ? -47.785 -51.116 -8.859 1.00 59.26 ? 204 GLU B O 1 -ATOM 4249 C CB . GLU B 2 226 ? -50.623 -49.562 -9.876 1.00 48.66 ? 204 GLU B CB 1 -ATOM 4250 C CG . GLU B 2 226 ? -51.639 -49.279 -10.983 1.00 53.75 ? 204 GLU B CG 1 -ATOM 4251 C CD . GLU B 2 226 ? -52.627 -48.178 -10.638 1.00 78.92 ? 204 GLU B CD 1 -ATOM 4252 O OE1 . GLU B 2 226 ? -52.189 -47.008 -10.454 1.00 77.62 ? 204 GLU B OE1 1 -ATOM 4253 O OE2 . GLU B 2 226 ? -53.844 -48.485 -10.546 1.00 77.33 ? 204 GLU B OE2 1 -ATOM 4254 N N . PRO B 2 227 ? -47.557 -48.937 -9.375 1.00 60.35 ? 205 PRO B N 1 -ATOM 4255 C CA . PRO B 2 227 ? -46.334 -48.859 -8.557 1.00 48.72 ? 205 PRO B CA 1 -ATOM 4256 C C . PRO B 2 227 ? -46.487 -49.113 -7.029 1.00 52.12 ? 205 PRO B C 1 -ATOM 4257 O O . PRO B 2 227 ? -47.569 -49.169 -6.423 1.00 48.04 ? 205 PRO B O 1 -ATOM 4258 C CB . PRO B 2 227 ? -45.847 -47.417 -8.804 1.00 51.89 ? 205 PRO B CB 1 -ATOM 4259 C CG . PRO B 2 227 ? -46.515 -46.987 -10.111 1.00 49.14 ? 205 PRO B CG 1 -ATOM 4260 C CD . PRO B 2 227 ? -47.843 -47.668 -10.079 1.00 51.06 ? 205 PRO B CD 1 -ATOM 4261 N N . LYS B 2 228 ? -45.325 -49.248 -6.408 1.00 42.72 ? 206 LYS B N 1 -ATOM 4262 C CA . LYS B 2 228 ? -45.188 -49.420 -4.978 1.00 46.01 ? 206 LYS B CA 1 -ATOM 4263 C C . LYS B 2 228 ? -44.228 -48.342 -4.470 1.00 41.59 ? 206 LYS B C 1 -ATOM 4264 O O . LYS B 2 228 ? -43.135 -48.234 -4.994 1.00 41.94 ? 206 LYS B O 1 -ATOM 4265 C CB . LYS B 2 228 ? -44.658 -50.830 -4.685 1.00 30.44 ? 206 LYS B CB 1 -ATOM 4266 C CG . LYS B 2 228 ? -44.517 -51.180 -3.243 1.00 38.10 ? 206 LYS B CG 1 -ATOM 4267 C CD . LYS B 2 228 ? -43.742 -52.506 -3.106 1.00 54.89 ? 206 LYS B CD 1 -ATOM 4268 C CE . LYS B 2 228 ? -44.646 -53.703 -3.452 1.00 43.27 ? 206 LYS B CE 1 -ATOM 4269 N NZ . LYS B 2 228 ? -45.713 -53.736 -2.423 1.00 35.26 ? 206 LYS B NZ 1 -ATOM 4270 N N . SER B 2 229 ? -44.629 -47.544 -3.479 1.00 48.26 ? 207 SER B N 1 -ATOM 4271 C CA . SER B 2 229 ? -43.758 -46.473 -2.944 1.00 42.74 ? 207 SER B CA 1 -ATOM 4272 C C . SER B 2 229 ? -43.114 -46.840 -1.617 1.00 44.09 ? 207 SER B C 1 -ATOM 4273 O O . SER B 2 229 ? -43.758 -47.419 -0.760 1.00 44.36 ? 207 SER B O 1 -ATOM 4274 C CB . SER B 2 229 ? -44.537 -45.170 -2.743 1.00 46.96 ? 207 SER B CB 1 -ATOM 4275 O OG . SER B 2 229 ? -44.907 -44.586 -3.977 1.00 55.11 ? 207 SER B OG 1 -ATOM 4276 N N . TRP B 2 230 ? -41.855 -46.438 -1.439 1.00 41.68 ? 208 TRP B N 1 -ATOM 4277 C CA . TRP B 2 230 ? -41.042 -46.848 -0.299 1.00 43.66 ? 208 TRP B CA 1 -ATOM 4278 C C . TRP B 2 230 ? -40.481 -45.624 0.434 1.00 44.96 ? 208 TRP B C 1 -ATOM 4279 O O . TRP B 2 230 ? -40.116 -44.669 -0.195 1.00 35.14 ? 208 TRP B O 1 -ATOM 4280 C CB . TRP B 2 230 ? -39.861 -47.715 -0.753 1.00 32.81 ? 208 TRP B CB 1 -ATOM 4281 C CG . TRP B 2 230 ? -40.193 -48.994 -1.430 1.00 44.92 ? 208 TRP B CG 1 -ATOM 4282 C CD1 . TRP B 2 230 ? -40.804 -49.148 -2.627 1.00 47.86 ? 208 TRP B CD1 1 -ATOM 4283 C CD2 . TRP B 2 230 ? -39.863 -50.321 -0.972 1.00 51.67 ? 208 TRP B CD2 1 -ATOM 4284 N NE1 . TRP B 2 230 ? -40.892 -50.486 -2.951 1.00 47.13 ? 208 TRP B NE1 1 -ATOM 4285 C CE2 . TRP B 2 230 ? -40.322 -51.223 -1.946 1.00 38.64 ? 208 TRP B CE2 1 -ATOM 4286 C CE3 . TRP B 2 230 ? -39.228 -50.823 0.165 1.00 50.15 ? 208 TRP B CE3 1 -ATOM 4287 C CZ2 . TRP B 2 230 ? -40.203 -52.595 -1.806 1.00 43.70 ? 208 TRP B CZ2 1 -ATOM 4288 C CZ3 . TRP B 2 230 ? -39.095 -52.187 0.296 1.00 42.68 ? 208 TRP B CZ3 1 -ATOM 4289 C CH2 . TRP B 2 230 ? -39.582 -53.057 -0.685 1.00 50.25 ? 208 TRP B CH2 1 -ATOM 4290 N N . TYR B 2 231 ? -40.412 -45.692 1.758 1.00 44.72 ? 209 TYR B N 1 -ATOM 4291 C CA . TYR B 2 231 ? -39.635 -44.786 2.569 1.00 33.89 ? 209 TYR B CA 1 -ATOM 4292 C C . TYR B 2 231 ? -38.557 -45.602 3.287 1.00 48.22 ? 209 TYR B C 1 -ATOM 4293 O O . TYR B 2 231 ? -38.755 -46.786 3.597 1.00 39.91 ? 209 TYR B O 1 -ATOM 4294 C CB . TYR B 2 231 ? -40.492 -44.069 3.606 1.00 34.26 ? 209 TYR B CB 1 -ATOM 4295 C CG . TYR B 2 231 ? -41.687 -43.341 3.041 1.00 41.06 ? 209 TYR B CG 1 -ATOM 4296 C CD1 . TYR B 2 231 ? -42.899 -43.979 2.906 1.00 39.37 ? 209 TYR B CD1 1 -ATOM 4297 C CD2 . TYR B 2 231 ? -41.598 -42.009 2.644 1.00 45.73 ? 209 TYR B CD2 1 -ATOM 4298 C CE1 . TYR B 2 231 ? -44.005 -43.315 2.399 1.00 53.49 ? 209 TYR B CE1 1 -ATOM 4299 C CE2 . TYR B 2 231 ? -42.698 -41.339 2.140 1.00 43.98 ? 209 TYR B CE2 1 -ATOM 4300 C CZ . TYR B 2 231 ? -43.898 -41.992 2.022 1.00 45.68 ? 209 TYR B CZ 1 -ATOM 4301 O OH . TYR B 2 231 ? -44.995 -41.337 1.499 1.00 46.17 ? 209 TYR B OH 1 -ATOM 4302 N N . SER B 2 232 ? -37.441 -44.957 3.597 1.00 30.70 ? 210 SER B N 1 -ATOM 4303 C CA . SER B 2 232 ? -36.272 -45.671 4.118 1.00 41.40 ? 210 SER B CA 1 -ATOM 4304 C C . SER B 2 232 ? -35.426 -44.795 5.079 1.00 45.92 ? 210 SER B C 1 -ATOM 4305 O O . SER B 2 232 ? -35.134 -43.646 4.771 1.00 44.10 ? 210 SER B O 1 -ATOM 4306 C CB . SER B 2 232 ? -35.455 -46.162 2.920 1.00 41.50 ? 210 SER B CB 1 -ATOM 4307 O OG . SER B 2 232 ? -34.082 -46.366 3.219 1.00 59.40 ? 210 SER B OG 1 -ATOM 4308 N N . VAL B 2 233 ? -35.063 -45.328 6.249 1.00 38.02 ? 211 VAL B N 1 -ATOM 4309 C CA . VAL B 2 233 ? -34.164 -44.629 7.166 1.00 37.38 ? 211 VAL B CA 1 -ATOM 4310 C C . VAL B 2 233 ? -32.818 -45.355 7.148 1.00 50.85 ? 211 VAL B C 1 -ATOM 4311 O O . VAL B 2 233 ? -32.752 -46.560 7.420 1.00 48.92 ? 211 VAL B O 1 -ATOM 4312 C CB . VAL B 2 233 ? -34.697 -44.569 8.638 1.00 45.77 ? 211 VAL B CB 1 -ATOM 4313 C CG1 . VAL B 2 233 ? -33.645 -44.037 9.583 1.00 38.28 ? 211 VAL B CG1 1 -ATOM 4314 C CG2 . VAL B 2 233 ? -35.958 -43.716 8.754 1.00 45.00 ? 211 VAL B CG2 1 -ATOM 4315 N N . PRO B 2 234 ? -31.739 -44.614 6.857 1.00 44.88 ? 212 PRO B N 1 -ATOM 4316 C CA . PRO B 2 234 ? -30.395 -45.181 6.735 1.00 47.17 ? 212 PRO B CA 1 -ATOM 4317 C C . PRO B 2 234 ? -30.049 -45.963 7.972 1.00 45.75 ? 212 PRO B C 1 -ATOM 4318 O O . PRO B 2 234 ? -30.480 -45.577 9.062 1.00 48.09 ? 212 PRO B O 1 -ATOM 4319 C CB . PRO B 2 234 ? -29.492 -43.946 6.587 1.00 48.73 ? 212 PRO B CB 1 -ATOM 4320 C CG . PRO B 2 234 ? -30.410 -42.889 6.025 1.00 44.30 ? 212 PRO B CG 1 -ATOM 4321 C CD . PRO B 2 234 ? -31.742 -43.154 6.669 1.00 41.09 ? 212 PRO B CD 1 -ATOM 4322 N N . PRO B 2 235 ? -29.355 -47.093 7.808 1.00 45.53 ? 213 PRO B N 1 -ATOM 4323 C CA . PRO B 2 235 ? -28.959 -47.895 8.965 1.00 44.52 ? 213 PRO B CA 1 -ATOM 4324 C C . PRO B 2 235 ? -28.264 -47.080 10.055 1.00 48.68 ? 213 PRO B C 1 -ATOM 4325 O O . PRO B 2 235 ? -28.521 -47.326 11.233 1.00 44.98 ? 213 PRO B O 1 -ATOM 4326 C CB . PRO B 2 235 ? -27.996 -48.914 8.355 1.00 35.16 ? 213 PRO B CB 1 -ATOM 4327 C CG . PRO B 2 235 ? -28.515 -49.113 7.002 1.00 45.98 ? 213 PRO B CG 1 -ATOM 4328 C CD . PRO B 2 235 ? -29.067 -47.784 6.545 1.00 46.05 ? 213 PRO B CD 1 -ATOM 4329 N N . GLU B 2 236 ? -27.425 -46.112 9.681 1.00 44.63 ? 214 GLU B N 1 -ATOM 4330 C CA . GLU B 2 236 ? -26.667 -45.384 10.698 1.00 50.11 ? 214 GLU B CA 1 -ATOM 4331 C C . GLU B 2 236 ? -27.546 -44.427 11.504 1.00 49.54 ? 214 GLU B C 1 -ATOM 4332 O O . GLU B 2 236 ? -27.089 -43.874 12.507 1.00 52.32 ? 214 GLU B O 1 -ATOM 4333 C CB . GLU B 2 236 ? -25.476 -44.637 10.069 1.00 61.50 ? 214 GLU B CB 1 -ATOM 4334 C CG . GLU B 2 236 ? -25.805 -43.629 8.973 1.00 54.39 ? 214 GLU B CG 1 -ATOM 4335 C CD . GLU B 2 236 ? -24.704 -43.522 7.905 1.00 67.66 ? 214 GLU B CD 1 -ATOM 4336 O OE1 . GLU B 2 236 ? -23.714 -42.786 8.136 1.00 81.20 ? 214 GLU B OE1 1 -ATOM 4337 O OE2 . GLU B 2 236 ? -24.833 -44.154 6.825 1.00 59.00 ? 214 GLU B OE2 1 -ATOM 4338 N N . HIS B 2 237 ? -28.802 -44.233 11.087 1.00 48.85 ? 215 HIS B N 1 -ATOM 4339 C CA . HIS B 2 237 ? -29.741 -43.440 11.893 1.00 43.24 ? 215 HIS B CA 1 -ATOM 4340 C C . HIS B 2 237 ? -30.950 -44.259 12.357 1.00 54.76 ? 215 HIS B C 1 -ATOM 4341 O O . HIS B 2 237 ? -31.925 -43.712 12.884 1.00 49.85 ? 215 HIS B O 1 -ATOM 4342 C CB . HIS B 2 237 ? -30.210 -42.196 11.129 1.00 48.28 ? 215 HIS B CB 1 -ATOM 4343 C CG . HIS B 2 237 ? -29.112 -41.210 10.849 1.00 50.30 ? 215 HIS B CG 1 -ATOM 4344 N ND1 . HIS B 2 237 ? -28.620 -40.351 11.808 1.00 59.10 ? 215 HIS B ND1 1 -ATOM 4345 C CD2 . HIS B 2 237 ? -28.448 -40.914 9.705 1.00 49.94 ? 215 HIS B CD2 1 -ATOM 4346 C CE1 . HIS B 2 237 ? -27.677 -39.592 11.276 1.00 64.20 ? 215 HIS B CE1 1 -ATOM 4347 N NE2 . HIS B 2 237 ? -27.556 -39.912 10.000 1.00 60.87 ? 215 HIS B NE2 1 -ATOM 4348 N N . GLY B 2 238 ? -30.888 -45.570 12.156 1.00 52.92 ? 216 GLY B N 1 -ATOM 4349 C CA . GLY B 2 238 ? -31.964 -46.444 12.588 1.00 50.87 ? 216 GLY B CA 1 -ATOM 4350 C C . GLY B 2 238 ? -32.312 -46.347 14.065 1.00 47.11 ? 216 GLY B C 1 -ATOM 4351 O O . GLY B 2 238 ? -33.499 -46.313 14.424 1.00 46.75 ? 216 GLY B O 1 -ATOM 4352 N N . LYS B 2 239 ? -31.292 -46.262 14.920 1.00 55.64 ? 217 LYS B N 1 -ATOM 4353 C CA . LYS B 2 239 ? -31.495 -46.141 16.372 1.00 56.81 ? 217 LYS B CA 1 -ATOM 4354 C C . LYS B 2 239 ? -32.316 -44.911 16.749 1.00 55.88 ? 217 LYS B C 1 -ATOM 4355 O O . LYS B 2 239 ? -33.057 -44.930 17.732 1.00 56.46 ? 217 LYS B O 1 -ATOM 4356 C CB . LYS B 2 239 ? -30.156 -46.083 17.093 1.00 59.56 ? 217 LYS B CB 1 -ATOM 4357 C CG . LYS B 2 239 ? -29.559 -47.433 17.425 1.00 63.59 ? 217 LYS B CG 1 -ATOM 4358 C CD . LYS B 2 239 ? -30.288 -48.045 18.597 1.00 74.28 ? 217 LYS B CD 1 -ATOM 4359 C CE . LYS B 2 239 ? -29.770 -49.430 18.921 1.00 68.69 ? 217 LYS B CE 1 -ATOM 4360 N NZ . LYS B 2 239 ? -30.602 -50.047 19.996 1.00 78.40 ? 217 LYS B NZ 1 -ATOM 4361 N N . ARG B 2 240 ? -32.190 -43.856 15.945 1.00 49.89 ? 218 ARG B N 1 -ATOM 4362 C CA . ARG B 2 240 ? -32.921 -42.612 16.177 1.00 59.43 ? 218 ARG B CA 1 -ATOM 4363 C C . ARG B 2 240 ? -34.407 -42.843 15.954 1.00 52.41 ? 218 ARG B C 1 -ATOM 4364 O O . ARG B 2 240 ? -35.220 -42.363 16.732 1.00 54.74 ? 218 ARG B O 1 -ATOM 4365 C CB . ARG B 2 240 ? -32.421 -41.490 15.261 1.00 47.05 ? 218 ARG B CB 1 -ATOM 4366 C CG . ARG B 2 240 ? -30.984 -41.141 15.521 1.00 61.54 ? 218 ARG B CG 1 -ATOM 4367 C CD . ARG B 2 240 ? -30.442 -40.050 14.618 1.00 61.41 ? 218 ARG B CD 1 -ATOM 4368 N NE . ARG B 2 240 ? -31.042 -38.753 14.893 1.00 70.37 ? 218 ARG B NE 1 -ATOM 4369 C CZ . ARG B 2 240 ? -30.558 -37.611 14.422 1.00 73.30 ? 218 ARG B CZ 1 -ATOM 4370 N NH1 . ARG B 2 240 ? -29.452 -37.618 13.687 1.00 67.16 ? 218 ARG B NH1 1 -ATOM 4371 N NH2 . ARG B 2 240 ? -31.148 -36.464 14.720 1.00 78.89 ? 218 ARG B NH2 1 -ATOM 4372 N N . LEU B 2 241 ? -34.761 -43.597 14.911 1.00 52.20 ? 219 LEU B N 1 -ATOM 4373 C CA . LEU B 2 241 ? -36.160 -43.926 14.688 1.00 44.84 ? 219 LEU B CA 1 -ATOM 4374 C C . LEU B 2 241 ? -36.726 -44.707 15.872 1.00 49.76 ? 219 LEU B C 1 -ATOM 4375 O O . LEU B 2 241 ? -37.850 -44.433 16.300 1.00 48.78 ? 219 LEU B O 1 -ATOM 4376 C CB . LEU B 2 241 ? -36.339 -44.714 13.390 1.00 53.37 ? 219 LEU B CB 1 -ATOM 4377 C CG . LEU B 2 241 ? -37.788 -45.054 12.981 1.00 45.23 ? 219 LEU B CG 1 -ATOM 4378 C CD1 . LEU B 2 241 ? -38.468 -43.854 12.375 1.00 46.61 ? 219 LEU B CD1 1 -ATOM 4379 C CD2 . LEU B 2 241 ? -37.802 -46.177 11.996 1.00 48.10 ? 219 LEU B CD2 1 -ATOM 4380 N N . GLU B 2 242 ? -35.919 -45.611 16.447 1.00 55.89 ? 220 GLU B N 1 -ATOM 4381 C CA . GLU B 2 242 ? -36.342 -46.465 17.570 1.00 53.41 ? 220 GLU B CA 1 -ATOM 4382 C C . GLU B 2 242 ? -36.518 -45.654 18.839 1.00 58.42 ? 220 GLU B C 1 -ATOM 4383 O O . GLU B 2 242 ? -37.430 -45.897 19.624 1.00 58.99 ? 220 GLU B O 1 -ATOM 4384 C CB . GLU B 2 242 ? -35.335 -47.608 17.830 1.00 52.88 ? 220 GLU B CB 1 -ATOM 4385 C CG . GLU B 2 242 ? -35.377 -48.743 16.810 1.00 48.23 ? 220 GLU B CG 1 -ATOM 4386 C CD . GLU B 2 242 ? -34.328 -49.840 17.071 1.00 60.67 ? 220 GLU B CD 1 -ATOM 4387 O OE1 . GLU B 2 242 ? -33.714 -49.871 18.162 1.00 60.45 ? 220 GLU B OE1 1 -ATOM 4388 O OE2 . GLU B 2 242 ? -34.143 -50.703 16.186 1.00 53.41 ? 220 GLU B OE2 1 -ATOM 4389 N N . ARG B 2 243 ? -35.637 -44.686 19.046 1.00 55.45 ? 221 ARG B N 1 -ATOM 4390 C CA . ARG B 2 243 ? -35.766 -43.808 20.202 1.00 57.78 ? 221 ARG B CA 1 -ATOM 4391 C C . ARG B 2 243 ? -37.094 -43.054 20.139 1.00 49.79 ? 221 ARG B C 1 -ATOM 4392 O O . ARG B 2 243 ? -37.765 -42.838 21.152 1.00 52.16 ? 221 ARG B O 1 -ATOM 4393 C CB . ARG B 2 243 ? -34.615 -42.805 20.234 1.00 55.26 ? 221 ARG B CB 1 -ATOM 4394 C CG . ARG B 2 243 ? -33.971 -42.645 21.575 1.00 66.12 ? 221 ARG B CG 1 -ATOM 4395 C CD . ARG B 2 243 ? -32.650 -43.377 21.618 1.00 64.74 ? 221 ARG B CD 1 -ATOM 4396 N NE . ARG B 2 243 ? -31.679 -42.800 20.692 1.00 72.94 ? 221 ARG B NE 1 -ATOM 4397 C CZ . ARG B 2 243 ? -30.411 -43.200 20.602 1.00 82.08 ? 221 ARG B CZ 1 -ATOM 4398 N NH1 . ARG B 2 243 ? -29.964 -44.171 21.397 1.00 69.19 ? 221 ARG B NH1 1 -ATOM 4399 N NH2 . ARG B 2 243 ? -29.587 -42.626 19.727 1.00 76.42 ? 221 ARG B NH2 1 -ATOM 4400 N N . LEU B 2 244 ? -37.465 -42.689 18.920 1.00 43.18 ? 222 LEU B N 1 -ATOM 4401 C CA . LEU B 2 244 ? -38.679 -41.949 18.642 1.00 52.13 ? 222 LEU B CA 1 -ATOM 4402 C C . LEU B 2 244 ? -39.909 -42.837 18.842 1.00 56.50 ? 222 LEU B C 1 -ATOM 4403 O O . LEU B 2 244 ? -40.878 -42.430 19.481 1.00 59.18 ? 222 LEU B O 1 -ATOM 4404 C CB . LEU B 2 244 ? -38.625 -41.400 17.211 1.00 51.09 ? 222 LEU B CB 1 -ATOM 4405 C CG . LEU B 2 244 ? -39.709 -40.429 16.739 1.00 61.52 ? 222 LEU B CG 1 -ATOM 4406 C CD1 . LEU B 2 244 ? -39.589 -39.120 17.516 1.00 63.95 ? 222 LEU B CD1 1 -ATOM 4407 C CD2 . LEU B 2 244 ? -39.628 -40.189 15.235 1.00 51.14 ? 222 LEU B CD2 1 -ATOM 4408 N N . ALA B 2 245 ? -39.854 -44.060 18.317 1.00 60.31 ? 223 ALA B N 1 -ATOM 4409 C CA . ALA B 2 245 ? -40.971 -44.991 18.450 1.00 52.69 ? 223 ALA B CA 1 -ATOM 4410 C C . ALA B 2 245 ? -41.231 -45.300 19.912 1.00 56.41 ? 223 ALA B C 1 -ATOM 4411 O O . ALA B 2 245 ? -42.386 -45.407 20.313 1.00 69.00 ? 223 ALA B O 1 -ATOM 4412 C CB . ALA B 2 245 ? -40.709 -46.275 17.669 1.00 55.09 ? 223 ALA B CB 1 -ATOM 4413 N N . LYS B 2 246 ? -40.180 -45.420 20.725 1.00 61.33 ? 224 LYS B N 1 -ATOM 4414 C CA . LYS B 2 246 ? -40.382 -45.683 22.157 1.00 60.27 ? 224 LYS B CA 1 -ATOM 4415 C C . LYS B 2 246 ? -40.870 -44.433 22.911 1.00 60.01 ? 224 LYS B C 1 -ATOM 4416 O O . LYS B 2 246 ? -41.381 -44.528 24.028 1.00 62.85 ? 224 LYS B O 1 -ATOM 4417 C CB . LYS B 2 246 ? -39.096 -46.190 22.819 1.00 58.77 ? 224 LYS B CB 1 -ATOM 4418 C CG . LYS B 2 246 ? -38.417 -47.386 22.154 1.00 70.88 ? 224 LYS B CG 1 -ATOM 4419 C CD . LYS B 2 246 ? -37.071 -47.676 22.827 1.00 61.14 ? 224 LYS B CD 1 -ATOM 4420 C CE . LYS B 2 246 ? -36.274 -48.732 22.072 1.00 75.40 ? 224 LYS B CE 1 -ATOM 4421 N NZ . LYS B 2 246 ? -34.817 -48.394 22.022 1.00 74.73 ? 224 LYS B NZ 1 -ATOM 4422 N N . GLY B 2 247 ? -40.711 -43.257 22.316 1.00 62.58 ? 225 GLY B N 1 -ATOM 4423 C CA . GLY B 2 247 ? -41.248 -42.058 22.937 1.00 59.59 ? 225 GLY B CA 1 -ATOM 4424 C C . GLY B 2 247 ? -42.744 -41.952 22.725 1.00 55.19 ? 225 GLY B C 1 -ATOM 4425 O O . GLY B 2 247 ? -43.480 -41.536 23.611 1.00 65.25 ? 225 GLY B O 1 -ATOM 4426 N N . PHE B 2 248 ? -43.190 -42.346 21.539 1.00 60.26 ? 226 PHE B N 1 -ATOM 4427 C CA . PHE B 2 248 ? -44.602 -42.278 21.166 1.00 62.39 ? 226 PHE B CA 1 -ATOM 4428 C C . PHE B 2 248 ? -45.472 -43.462 21.594 1.00 60.78 ? 226 PHE B C 1 -ATOM 4429 O O . PHE B 2 248 ? -46.672 -43.307 21.789 1.00 68.47 ? 226 PHE B O 1 -ATOM 4430 C CB . PHE B 2 248 ? -44.702 -42.085 19.664 1.00 55.90 ? 226 PHE B CB 1 -ATOM 4431 C CG . PHE B 2 248 ? -44.506 -40.677 19.256 1.00 60.69 ? 226 PHE B CG 1 -ATOM 4432 C CD1 . PHE B 2 248 ? -45.157 -39.657 19.952 1.00 68.87 ? 226 PHE B CD1 1 -ATOM 4433 C CD2 . PHE B 2 248 ? -43.643 -40.350 18.226 1.00 66.09 ? 226 PHE B CD2 1 -ATOM 4434 C CE1 . PHE B 2 248 ? -44.981 -38.331 19.607 1.00 63.88 ? 226 PHE B CE1 1 -ATOM 4435 C CE2 . PHE B 2 248 ? -43.451 -39.024 17.868 1.00 73.45 ? 226 PHE B CE2 1 -ATOM 4436 C CZ . PHE B 2 248 ? -44.127 -38.009 18.561 1.00 73.17 ? 226 PHE B CZ 1 -ATOM 4437 N N . PHE B 2 249 ? -44.883 -44.646 21.707 1.00 64.46 ? 227 PHE B N 1 -ATOM 4438 C CA . PHE B 2 249 ? -45.637 -45.832 22.118 1.00 64.52 ? 227 PHE B CA 1 -ATOM 4439 C C . PHE B 2 249 ? -45.016 -46.448 23.361 1.00 67.41 ? 227 PHE B C 1 -ATOM 4440 O O . PHE B 2 249 ? -44.510 -47.568 23.306 1.00 65.02 ? 227 PHE B O 1 -ATOM 4441 C CB . PHE B 2 249 ? -45.680 -46.858 20.985 1.00 60.01 ? 227 PHE B CB 1 -ATOM 4442 C CG . PHE B 2 249 ? -46.356 -46.357 19.753 1.00 55.41 ? 227 PHE B CG 1 -ATOM 4443 C CD1 . PHE B 2 249 ? -45.649 -45.644 18.802 1.00 55.85 ? 227 PHE B CD1 1 -ATOM 4444 C CD2 . PHE B 2 249 ? -47.713 -46.567 19.561 1.00 64.00 ? 227 PHE B CD2 1 -ATOM 4445 C CE1 . PHE B 2 249 ? -46.290 -45.149 17.658 1.00 57.38 ? 227 PHE B CE1 1 -ATOM 4446 C CE2 . PHE B 2 249 ? -48.357 -46.087 18.428 1.00 52.34 ? 227 PHE B CE2 1 -ATOM 4447 C CZ . PHE B 2 249 ? -47.641 -45.375 17.475 1.00 54.71 ? 227 PHE B CZ 1 -ATOM 4448 N N . PRO B 2 250 ? -45.077 -45.725 24.496 1.00 70.24 ? 228 PRO B N 1 -ATOM 4449 C CA . PRO B 2 250 ? -44.352 -46.128 25.708 1.00 65.30 ? 228 PRO B CA 1 -ATOM 4450 C C . PRO B 2 250 ? -44.825 -47.450 26.311 1.00 70.98 ? 228 PRO B C 1 -ATOM 4451 O O . PRO B 2 250 ? -43.998 -48.201 26.813 1.00 69.51 ? 228 PRO B O 1 -ATOM 4452 C CB . PRO B 2 250 ? -44.622 -44.974 26.676 1.00 67.58 ? 228 PRO B CB 1 -ATOM 4453 C CG . PRO B 2 250 ? -45.888 -44.340 26.171 1.00 62.79 ? 228 PRO B CG 1 -ATOM 4454 C CD . PRO B 2 250 ? -45.849 -44.483 24.695 1.00 64.88 ? 228 PRO B CD 1 -ATOM 4455 N N . GLY B 2 251 ? -46.118 -47.742 26.233 1.00 74.27 ? 229 GLY B N 1 -ATOM 4456 C CA . GLY B 2 251 ? -46.644 -48.998 26.737 1.00 62.29 ? 229 GLY B CA 1 -ATOM 4457 C C . GLY B 2 251 ? -46.134 -50.178 25.941 1.00 68.21 ? 229 GLY B C 1 -ATOM 4458 O O . GLY B 2 251 ? -45.823 -51.235 26.502 1.00 68.39 ? 229 GLY B O 1 -ATOM 4459 N N . SER B 2 252 ? -46.055 -49.998 24.624 1.00 70.52 ? 230 SER B N 1 -ATOM 4460 C CA . SER B 2 252 ? -45.537 -51.032 23.725 1.00 65.75 ? 230 SER B CA 1 -ATOM 4461 C C . SER B 2 252 ? -44.066 -51.351 24.019 1.00 67.70 ? 230 SER B C 1 -ATOM 4462 O O . SER B 2 252 ? -43.655 -52.514 24.012 1.00 70.71 ? 230 SER B O 1 -ATOM 4463 C CB . SER B 2 252 ? -45.678 -50.584 22.269 1.00 64.29 ? 230 SER B CB 1 -ATOM 4464 O OG . SER B 2 252 ? -47.007 -50.691 21.798 1.00 61.04 ? 230 SER B OG 1 -ATOM 4465 N N . ALA B 2 253 ? -43.292 -50.305 24.294 1.00 65.82 ? 231 ALA B N 1 -ATOM 4466 C CA . ALA B 2 253 ? -41.877 -50.431 24.617 1.00 66.19 ? 231 ALA B CA 1 -ATOM 4467 C C . ALA B 2 253 ? -41.595 -51.265 25.876 1.00 67.21 ? 231 ALA B C 1 -ATOM 4468 O O . ALA B 2 253 ? -40.639 -52.043 25.899 1.00 62.24 ? 231 ALA B O 1 -ATOM 4469 C CB . ALA B 2 253 ? -41.255 -49.037 24.759 1.00 63.64 ? 231 ALA B CB 1 -ATOM 4470 N N . GLU B 2 254 ? -42.403 -51.097 26.924 1.00 76.05 ? 232 GLU B N 1 -ATOM 4471 C CA . GLU B 2 254 ? -42.205 -51.878 28.155 1.00 78.81 ? 232 GLU B CA 1 -ATOM 4472 C C . GLU B 2 254 ? -42.518 -53.352 27.936 1.00 72.38 ? 232 GLU B C 1 -ATOM 4473 O O . GLU B 2 254 ? -41.803 -54.213 28.441 1.00 80.78 ? 232 GLU B O 1 -ATOM 4474 C CB . GLU B 2 254 ? -43.055 -51.338 29.314 1.00 72.34 ? 232 GLU B CB 1 -ATOM 4475 C CG . GLU B 2 254 ? -43.404 -49.874 29.182 1.00 82.65 ? 232 GLU B CG 1 -ATOM 4476 C CD . GLU B 2 254 ? -44.315 -49.363 30.290 1.00 99.60 ? 232 GLU B CD 1 -ATOM 4477 O OE1 . GLU B 2 254 ? -45.487 -49.809 30.338 1.00 104.19 ? 232 GLU B OE1 1 -ATOM 4478 O OE2 . GLU B 2 254 ? -43.866 -48.525 31.107 1.00 96.01 ? 232 GLU B OE2 1 -ATOM 4479 N N . SER B 2 255 ? -43.566 -53.649 27.170 1.00 69.48 ? 233 SER B N 1 -ATOM 4480 C CA . SER B 2 255 ? -43.986 -55.041 26.993 1.00 68.24 ? 233 SER B CA 1 -ATOM 4481 C C . SER B 2 255 ? -43.214 -55.804 25.915 1.00 68.34 ? 233 SER B C 1 -ATOM 4482 O O . SER B 2 255 ? -43.463 -56.997 25.709 1.00 69.75 ? 233 SER B O 1 -ATOM 4483 C CB . SER B 2 255 ? -45.491 -55.114 26.677 1.00 55.98 ? 233 SER B CB 1 -ATOM 4484 O OG . SER B 2 255 ? -46.275 -54.635 27.756 1.00 76.37 ? 233 SER B OG 1 -ATOM 4485 N N . CYS B 2 256 ? -42.280 -55.141 25.237 1.00 63.55 ? 234 CYS B N 1 -ATOM 4486 C CA . CYS B 2 256 ? -41.460 -55.838 24.251 1.00 61.76 ? 234 CYS B CA 1 -ATOM 4487 C C . CYS B 2 256 ? -40.199 -55.061 23.901 1.00 68.12 ? 234 CYS B C 1 -ATOM 4488 O O . CYS B 2 256 ? -40.249 -53.853 23.664 1.00 65.38 ? 234 CYS B O 1 -ATOM 4489 C CB . CYS B 2 256 ? -42.259 -56.132 22.979 1.00 53.52 ? 234 CYS B CB 1 -ATOM 4490 S SG . CYS B 2 256 ? -41.364 -57.153 21.757 1.00 59.92 ? 234 CYS B SG 1 -ATOM 4491 N N . GLU B 2 257 ? -39.078 -55.783 23.868 1.00 63.91 ? 235 GLU B N 1 -ATOM 4492 C CA . GLU B 2 257 ? -37.758 -55.220 23.610 1.00 67.80 ? 235 GLU B CA 1 -ATOM 4493 C C . GLU B 2 257 ? -37.611 -54.699 22.179 1.00 67.95 ? 235 GLU B C 1 -ATOM 4494 O O . GLU B 2 257 ? -36.741 -53.873 21.891 1.00 71.20 ? 235 GLU B O 1 -ATOM 4495 C CB . GLU B 2 257 ? -36.671 -56.268 23.904 1.00 63.55 ? 235 GLU B CB 1 -ATOM 4496 N N . ALA B 2 258 ? -38.441 -55.198 21.271 1.00 61.70 ? 236 ALA B N 1 -ATOM 4497 C CA . ALA B 2 258 ? -38.412 -54.704 19.897 1.00 51.32 ? 236 ALA B CA 1 -ATOM 4498 C C . ALA B 2 258 ? -39.804 -54.712 19.258 1.00 52.58 ? 236 ALA B C 1 -ATOM 4499 O O . ALA B 2 258 ? -40.081 -55.498 18.353 1.00 55.01 ? 236 ALA B O 1 -ATOM 4500 C CB . ALA B 2 258 ? -37.453 -55.503 19.071 1.00 57.73 ? 236 ALA B CB 1 -ATOM 4501 N N . PHE B 2 259 ? -40.685 -53.849 19.744 1.00 55.17 ? 237 PHE B N 1 -ATOM 4502 C CA . PHE B 2 259 ? -42.089 -53.886 19.323 1.00 58.76 ? 237 PHE B CA 1 -ATOM 4503 C C . PHE B 2 259 ? -42.303 -53.494 17.858 1.00 54.33 ? 237 PHE B C 1 -ATOM 4504 O O . PHE B 2 259 ? -43.316 -53.886 17.255 1.00 51.56 ? 237 PHE B O 1 -ATOM 4505 C CB . PHE B 2 259 ? -42.934 -52.993 20.229 1.00 53.20 ? 237 PHE B CB 1 -ATOM 4506 C CG . PHE B 2 259 ? -42.719 -51.530 20.002 1.00 54.29 ? 237 PHE B CG 1 -ATOM 4507 C CD1 . PHE B 2 259 ? -41.564 -50.912 20.443 1.00 57.07 ? 237 PHE B CD1 1 -ATOM 4508 C CD2 . PHE B 2 259 ? -43.688 -50.765 19.377 1.00 54.35 ? 237 PHE B CD2 1 -ATOM 4509 C CE1 . PHE B 2 259 ? -41.366 -49.557 20.243 1.00 57.29 ? 237 PHE B CE1 1 -ATOM 4510 C CE2 . PHE B 2 259 ? -43.503 -49.407 19.186 1.00 57.75 ? 237 PHE B CE2 1 -ATOM 4511 C CZ . PHE B 2 259 ? -42.334 -48.805 19.618 1.00 48.96 ? 237 PHE B CZ 1 -ATOM 4512 N N . LEU B 2 260 ? -41.355 -52.761 17.269 1.00 40.23 ? 238 LEU B N 1 -ATOM 4513 C CA . LEU B 2 260 ? -41.470 -52.412 15.850 1.00 28.89 ? 238 LEU B CA 1 -ATOM 4514 C C . LEU B 2 260 ? -41.447 -53.655 14.982 1.00 52.81 ? 238 LEU B C 1 -ATOM 4515 O O . LEU B 2 260 ? -41.999 -53.634 13.880 1.00 53.57 ? 238 LEU B O 1 -ATOM 4516 C CB . LEU B 2 260 ? -40.351 -51.463 15.397 1.00 43.33 ? 238 LEU B CB 1 -ATOM 4517 C CG . LEU B 2 260 ? -40.356 -49.954 15.730 1.00 36.16 ? 238 LEU B CG 1 -ATOM 4518 C CD1 . LEU B 2 260 ? -39.179 -49.293 15.055 1.00 41.53 ? 238 LEU B CD1 1 -ATOM 4519 C CD2 . LEU B 2 260 ? -41.610 -49.318 15.230 1.00 42.55 ? 238 LEU B CD2 1 -ATOM 4520 N N . ARG B 2 261 ? -40.832 -54.738 15.472 1.00 41.89 ? 239 ARG B N 1 -ATOM 4521 C CA . ARG B 2 261 ? -40.871 -56.020 14.763 1.00 57.44 ? 239 ARG B CA 1 -ATOM 4522 C C . ARG B 2 261 ? -42.304 -56.569 14.565 1.00 47.99 ? 239 ARG B C 1 -ATOM 4523 O O . ARG B 2 261 ? -42.550 -57.396 13.683 1.00 49.80 ? 239 ARG B O 1 -ATOM 4524 C CB . ARG B 2 261 ? -40.030 -57.059 15.521 1.00 52.76 ? 239 ARG B CB 1 -ATOM 4525 C CG . ARG B 2 261 ? -38.571 -56.700 15.646 1.00 44.35 ? 239 ARG B CG 1 -ATOM 4526 C CD . ARG B 2 261 ? -37.722 -57.887 15.311 1.00 53.30 ? 239 ARG B CD 1 -ATOM 4527 N NE . ARG B 2 261 ? -36.313 -57.621 15.532 1.00 52.49 ? 239 ARG B NE 1 -ATOM 4528 C CZ . ARG B 2 261 ? -35.431 -57.428 14.561 1.00 58.15 ? 239 ARG B CZ 1 -ATOM 4529 N NH1 . ARG B 2 261 ? -35.816 -57.483 13.292 1.00 52.55 ? 239 ARG B NH1 1 -ATOM 4530 N NH2 . ARG B 2 261 ? -34.160 -57.197 14.870 1.00 45.08 ? 239 ARG B NH2 1 -ATOM 4531 N N . HIS B 2 262 ? -43.260 -56.082 15.341 1.00 44.62 ? 240 HIS B N 1 -ATOM 4532 C CA . HIS B 2 262 ? -44.649 -56.512 15.140 1.00 52.14 ? 240 HIS B CA 1 -ATOM 4533 C C . HIS B 2 262 ? -45.190 -55.976 13.827 1.00 56.76 ? 240 HIS B C 1 -ATOM 4534 O O . HIS B 2 262 ? -46.227 -56.431 13.357 1.00 54.00 ? 240 HIS B O 1 -ATOM 4535 C CB . HIS B 2 262 ? -45.550 -56.034 16.276 1.00 52.87 ? 240 HIS B CB 1 -ATOM 4536 C CG . HIS B 2 262 ? -45.095 -56.473 17.629 1.00 52.56 ? 240 HIS B CG 1 -ATOM 4537 N ND1 . HIS B 2 262 ? -45.546 -55.890 18.792 1.00 54.07 ? 240 HIS B ND1 1 -ATOM 4538 C CD2 . HIS B 2 262 ? -44.228 -57.440 18.004 1.00 58.40 ? 240 HIS B CD2 1 -ATOM 4539 C CE1 . HIS B 2 262 ? -44.969 -56.475 19.829 1.00 48.77 ? 240 HIS B CE1 1 -ATOM 4540 N NE2 . HIS B 2 262 ? -44.169 -57.422 19.376 1.00 63.42 ? 240 HIS B NE2 1 -ATOM 4541 N N . LYS B 2 263 ? -44.487 -54.999 13.246 1.00 48.93 ? 241 LYS B N 1 -ATOM 4542 C CA . LYS B 2 263 ? -44.860 -54.427 11.961 1.00 43.33 ? 241 LYS B CA 1 -ATOM 4543 C C . LYS B 2 263 ? -46.264 -53.838 12.014 1.00 42.76 ? 241 LYS B C 1 -ATOM 4544 O O . LYS B 2 263 ? -47.069 -54.017 11.093 1.00 50.13 ? 241 LYS B O 1 -ATOM 4545 C CB . LYS B 2 263 ? -44.754 -55.477 10.843 1.00 49.16 ? 241 LYS B CB 1 -ATOM 4546 C CG . LYS B 2 263 ? -43.317 -55.864 10.479 1.00 39.69 ? 241 LYS B CG 1 -ATOM 4547 C CD . LYS B 2 263 ? -43.183 -57.329 10.105 1.00 61.85 ? 241 LYS B CD 1 -ATOM 4548 C CE . LYS B 2 263 ? -41.722 -57.735 9.924 1.00 59.32 ? 241 LYS B CE 1 -ATOM 4549 N NZ . LYS B 2 263 ? -41.171 -58.498 11.089 1.00 66.19 ? 241 LYS B NZ 1 -ATOM 4550 N N . MET B 2 264 ? -46.558 -53.151 13.111 1.00 52.90 ? 242 MET B N 1 -ATOM 4551 C CA . MET B 2 264 ? -47.826 -52.439 13.265 1.00 47.35 ? 242 MET B CA 1 -ATOM 4552 C C . MET B 2 264 ? -47.686 -50.908 13.334 1.00 51.44 ? 242 MET B C 1 -ATOM 4553 O O . MET B 2 264 ? -48.684 -50.212 13.458 1.00 45.56 ? 242 MET B O 1 -ATOM 4554 C CB . MET B 2 264 ? -48.548 -52.925 14.511 1.00 55.12 ? 242 MET B CB 1 -ATOM 4555 C CG . MET B 2 264 ? -48.890 -54.415 14.476 1.00 58.65 ? 242 MET B CG 1 -ATOM 4556 S SD . MET B 2 264 ? -49.570 -54.972 16.044 1.00 60.96 ? 242 MET B SD 1 -ATOM 4557 C CE . MET B 2 264 ? -51.029 -53.916 16.197 1.00 57.12 ? 242 MET B CE 1 -ATOM 4558 N N . THR B 2 265 ? -46.473 -50.362 13.268 1.00 53.23 ? 243 THR B N 1 -ATOM 4559 C CA . THR B 2 265 ? -46.338 -48.918 13.533 1.00 45.33 ? 243 THR B CA 1 -ATOM 4560 C C . THR B 2 265 ? -46.106 -48.097 12.254 1.00 41.63 ? 243 THR B C 1 -ATOM 4561 O O . THR B 2 265 ? -45.236 -48.391 11.465 1.00 38.74 ? 243 THR B O 1 -ATOM 4562 C CB . THR B 2 265 ? -45.257 -48.680 14.575 1.00 55.82 ? 243 THR B CB 1 -ATOM 4563 O OG1 . THR B 2 265 ? -45.631 -49.395 15.770 1.00 48.76 ? 243 THR B OG1 1 -ATOM 4564 C CG2 . THR B 2 265 ? -45.122 -47.177 14.912 1.00 46.96 ? 243 THR B CG2 1 -ATOM 4565 N N . LEU B 2 266 ? -46.990 -47.130 12.005 1.00 51.09 ? 244 LEU B N 1 -ATOM 4566 C CA . LEU B 2 266 ? -46.880 -46.263 10.823 1.00 48.65 ? 244 LEU B CA 1 -ATOM 4567 C C . LEU B 2 266 ? -46.587 -44.835 11.263 1.00 43.35 ? 244 LEU B C 1 -ATOM 4568 O O . LEU B 2 266 ? -47.211 -44.324 12.182 1.00 50.50 ? 244 LEU B O 1 -ATOM 4569 C CB . LEU B 2 266 ? -48.169 -46.309 9.975 1.00 45.85 ? 244 LEU B CB 1 -ATOM 4570 C CG . LEU B 2 266 ? -48.590 -47.591 9.237 1.00 44.49 ? 244 LEU B CG 1 -ATOM 4571 C CD1 . LEU B 2 266 ? -50.016 -47.438 8.793 1.00 51.42 ? 244 LEU B CD1 1 -ATOM 4572 C CD2 . LEU B 2 266 ? -47.713 -47.869 8.032 1.00 42.20 ? 244 LEU B CD2 1 -ATOM 4573 N N . ILE B 2 267 ? -45.627 -44.196 10.607 1.00 50.65 ? 245 ILE B N 1 -ATOM 4574 C CA . ILE B 2 267 ? -45.174 -42.866 10.990 1.00 39.11 ? 245 ILE B CA 1 -ATOM 4575 C C . ILE B 2 267 ? -44.941 -42.074 9.713 1.00 43.42 ? 245 ILE B C 1 -ATOM 4576 O O . ILE B 2 267 ? -44.111 -42.449 8.910 1.00 43.31 ? 245 ILE B O 1 -ATOM 4577 C CB . ILE B 2 267 ? -43.863 -42.907 11.845 1.00 52.33 ? 245 ILE B CB 1 -ATOM 4578 C CG1 . ILE B 2 267 ? -44.063 -43.769 13.100 1.00 43.17 ? 245 ILE B CG1 1 -ATOM 4579 C CG2 . ILE B 2 267 ? -43.430 -41.477 12.230 1.00 46.65 ? 245 ILE B CG2 1 -ATOM 4580 C CD1 . ILE B 2 267 ? -42.798 -44.211 13.833 1.00 39.65 ? 245 ILE B CD1 1 -ATOM 4581 N N . SER B 2 268 ? -45.697 -40.995 9.518 1.00 44.93 ? 246 SER B N 1 -ATOM 4582 C CA . SER B 2 268 ? -45.664 -40.229 8.278 1.00 37.14 ? 246 SER B CA 1 -ATOM 4583 C C . SER B 2 268 ? -44.317 -39.542 8.129 1.00 38.13 ? 246 SER B C 1 -ATOM 4584 O O . SER B 2 268 ? -43.640 -39.320 9.122 1.00 32.58 ? 246 SER B O 1 -ATOM 4585 C CB . SER B 2 268 ? -46.751 -39.161 8.277 1.00 40.99 ? 246 SER B CB 1 -ATOM 4586 O OG . SER B 2 268 ? -46.285 -38.073 9.056 1.00 45.50 ? 246 SER B OG 1 -ATOM 4587 N N . PRO B 2 269 ? -43.921 -39.230 6.889 1.00 40.70 ? 247 PRO B N 1 -ATOM 4588 C CA . PRO B 2 269 ? -42.682 -38.486 6.637 1.00 44.77 ? 247 PRO B CA 1 -ATOM 4589 C C . PRO B 2 269 ? -42.674 -37.100 7.300 1.00 46.68 ? 247 PRO B C 1 -ATOM 4590 O O . PRO B 2 269 ? -41.591 -36.615 7.617 1.00 39.70 ? 247 PRO B O 1 -ATOM 4591 C CB . PRO B 2 269 ? -42.647 -38.357 5.114 1.00 48.21 ? 247 PRO B CB 1 -ATOM 4592 C CG . PRO B 2 269 ? -44.096 -38.617 4.657 1.00 44.22 ? 247 PRO B CG 1 -ATOM 4593 C CD . PRO B 2 269 ? -44.574 -39.656 5.634 1.00 42.69 ? 247 PRO B CD 1 -ATOM 4594 N N . LEU B 2 270 ? -43.843 -36.499 7.526 1.00 43.45 ? 248 LEU B N 1 -ATOM 4595 C CA . LEU B 2 270 ? -43.915 -35.212 8.216 1.00 46.04 ? 248 LEU B CA 1 -ATOM 4596 C C . LEU B 2 270 ? -43.438 -35.380 9.645 1.00 54.54 ? 248 LEU B C 1 -ATOM 4597 O O . LEU B 2 270 ? -42.678 -34.561 10.168 1.00 50.97 ? 248 LEU B O 1 -ATOM 4598 C CB . LEU B 2 270 ? -45.343 -34.659 8.222 1.00 46.17 ? 248 LEU B CB 1 -ATOM 4599 C CG . LEU B 2 270 ? -46.013 -34.310 6.894 1.00 65.71 ? 248 LEU B CG 1 -ATOM 4600 C CD1 . LEU B 2 270 ? -47.412 -33.752 7.148 1.00 69.19 ? 248 LEU B CD1 1 -ATOM 4601 C CD2 . LEU B 2 270 ? -45.171 -33.298 6.116 1.00 55.60 ? 248 LEU B CD2 1 -ATOM 4602 N N . MET B 2 271 ? -43.888 -36.451 10.290 1.00 47.27 ? 249 MET B N 1 -ATOM 4603 C CA . MET B 2 271 ? -43.479 -36.676 11.664 1.00 45.35 ? 249 MET B CA 1 -ATOM 4604 C C . MET B 2 271 ? -41.964 -36.879 11.714 1.00 40.25 ? 249 MET B C 1 -ATOM 4605 O O . MET B 2 271 ? -41.303 -36.361 12.608 1.00 48.48 ? 249 MET B O 1 -ATOM 4606 C CB . MET B 2 271 ? -44.202 -37.877 12.265 1.00 40.75 ? 249 MET B CB 1 -ATOM 4607 C CG . MET B 2 271 ? -44.467 -37.746 13.746 1.00 51.59 ? 249 MET B CG 1 -ATOM 4608 S SD . MET B 2 271 ? -45.455 -36.239 14.054 1.00 74.43 ? 249 MET B SD 1 -ATOM 4609 C CE . MET B 2 271 ? -45.923 -36.504 15.766 1.00 56.11 ? 249 MET B CE 1 -ATOM 4610 N N . LEU B 2 272 ? -41.418 -37.603 10.738 1.00 38.25 ? 250 LEU B N 1 -ATOM 4611 C CA . LEU B 2 272 ? -39.975 -37.859 10.696 1.00 41.73 ? 250 LEU B CA 1 -ATOM 4612 C C . LEU B 2 272 ? -39.142 -36.575 10.488 1.00 42.88 ? 250 LEU B C 1 -ATOM 4613 O O . LEU B 2 272 ? -38.137 -36.365 11.150 1.00 41.59 ? 250 LEU B O 1 -ATOM 4614 C CB . LEU B 2 272 ? -39.636 -38.860 9.590 1.00 37.03 ? 250 LEU B CB 1 -ATOM 4615 C CG . LEU B 2 272 ? -40.106 -40.320 9.707 1.00 43.71 ? 250 LEU B CG 1 -ATOM 4616 C CD1 . LEU B 2 272 ? -39.248 -41.180 8.804 1.00 35.88 ? 250 LEU B CD1 1 -ATOM 4617 C CD2 . LEU B 2 272 ? -40.072 -40.845 11.121 1.00 35.00 ? 250 LEU B CD2 1 -ATOM 4618 N N . LYS B 2 273 ? -39.566 -35.742 9.550 1.00 47.53 ? 251 LYS B N 1 -ATOM 4619 C CA . LYS B 2 273 ? -38.900 -34.482 9.273 1.00 52.59 ? 251 LYS B CA 1 -ATOM 4620 C C . LYS B 2 273 ? -38.907 -33.615 10.537 1.00 54.27 ? 251 LYS B C 1 -ATOM 4621 O O . LYS B 2 273 ? -37.882 -33.051 10.925 1.00 61.25 ? 251 LYS B O 1 -ATOM 4622 C CB . LYS B 2 273 ? -39.581 -33.769 8.109 1.00 48.36 ? 251 LYS B CB 1 -ATOM 4623 C CG . LYS B 2 273 ? -38.802 -32.584 7.570 1.00 67.14 ? 251 LYS B CG 1 -ATOM 4624 C CD . LYS B 2 273 ? -39.513 -31.948 6.384 1.00 66.42 ? 251 LYS B CD 1 -ATOM 4625 C CE . LYS B 2 273 ? -38.777 -30.700 5.893 1.00 68.10 ? 251 LYS B CE 1 -ATOM 4626 N NZ . LYS B 2 273 ? -39.232 -30.306 4.519 1.00 71.89 ? 251 LYS B NZ 1 -ATOM 4627 N N . LYS B 2 274 ? -40.056 -33.583 11.205 1.00 56.11 ? 252 LYS B N 1 -ATOM 4628 C CA . LYS B 2 274 ? -40.287 -32.748 12.383 1.00 49.41 ? 252 LYS B CA 1 -ATOM 4629 C C . LYS B 2 274 ? -39.377 -33.094 13.546 1.00 55.40 ? 252 LYS B C 1 -ATOM 4630 O O . LYS B 2 274 ? -38.935 -32.205 14.276 1.00 57.46 ? 252 LYS B O 1 -ATOM 4631 C CB . LYS B 2 274 ? -41.751 -32.864 12.811 1.00 48.68 ? 252 LYS B CB 1 -ATOM 4632 C CG . LYS B 2 274 ? -42.119 -32.162 14.099 1.00 54.50 ? 252 LYS B CG 1 -ATOM 4633 C CD . LYS B 2 274 ? -43.507 -32.614 14.558 1.00 55.53 ? 252 LYS B CD 1 -ATOM 4634 C CE . LYS B 2 274 ? -43.932 -31.951 15.860 1.00 62.19 ? 252 LYS B CE 1 -ATOM 4635 N NZ . LYS B 2 274 ? -44.520 -30.603 15.617 1.00 70.17 ? 252 LYS B NZ 1 -ATOM 4636 N N . TYR B 2 275 ? -39.054 -34.375 13.703 1.00 54.25 ? 253 TYR B N 1 -ATOM 4637 C CA . TYR B 2 275 ? -38.207 -34.784 14.820 1.00 43.70 ? 253 TYR B CA 1 -ATOM 4638 C C . TYR B 2 275 ? -36.788 -35.005 14.347 1.00 54.71 ? 253 TYR B C 1 -ATOM 4639 O O . TYR B 2 275 ? -35.934 -35.488 15.100 1.00 62.37 ? 253 TYR B O 1 -ATOM 4640 C CB . TYR B 2 275 ? -38.754 -36.053 15.473 1.00 52.21 ? 253 TYR B CB 1 -ATOM 4641 C CG . TYR B 2 275 ? -40.034 -35.799 16.206 1.00 57.38 ? 253 TYR B CG 1 -ATOM 4642 C CD1 . TYR B 2 275 ? -40.017 -35.356 17.517 1.00 51.27 ? 253 TYR B CD1 1 -ATOM 4643 C CD2 . TYR B 2 275 ? -41.263 -35.949 15.577 1.00 61.05 ? 253 TYR B CD2 1 -ATOM 4644 C CE1 . TYR B 2 275 ? -41.179 -35.096 18.196 1.00 48.03 ? 253 TYR B CE1 1 -ATOM 4645 C CE2 . TYR B 2 275 ? -42.449 -35.677 16.258 1.00 58.30 ? 253 TYR B CE2 1 -ATOM 4646 C CZ . TYR B 2 275 ? -42.391 -35.250 17.571 1.00 55.03 ? 253 TYR B CZ 1 -ATOM 4647 O OH . TYR B 2 275 ? -43.544 -34.975 18.281 1.00 66.88 ? 253 TYR B OH 1 -ATOM 4648 N N . GLY B 2 276 ? -36.527 -34.586 13.112 1.00 54.05 ? 254 GLY B N 1 -ATOM 4649 C CA . GLY B 2 276 ? -35.190 -34.647 12.558 1.00 52.97 ? 254 GLY B CA 1 -ATOM 4650 C C . GLY B 2 276 ? -34.644 -36.048 12.344 1.00 52.42 ? 254 GLY B C 1 -ATOM 4651 O O . GLY B 2 276 ? -33.473 -36.284 12.616 1.00 56.92 ? 254 GLY B O 1 -ATOM 4652 N N . ILE B 2 277 ? -35.473 -36.980 11.866 1.00 50.68 ? 255 ILE B N 1 -ATOM 4653 C CA . ILE B 2 277 ? -34.951 -38.281 11.407 1.00 43.85 ? 255 ILE B CA 1 -ATOM 4654 C C . ILE B 2 277 ? -34.692 -38.222 9.910 1.00 40.38 ? 255 ILE B C 1 -ATOM 4655 O O . ILE B 2 277 ? -35.602 -37.975 9.126 1.00 47.76 ? 255 ILE B O 1 -ATOM 4656 C CB . ILE B 2 277 ? -35.923 -39.466 11.670 1.00 53.25 ? 255 ILE B CB 1 -ATOM 4657 C CG1 . ILE B 2 277 ? -36.581 -39.372 13.056 1.00 42.03 ? 255 ILE B CG1 1 -ATOM 4658 C CG2 . ILE B 2 277 ? -35.205 -40.810 11.422 1.00 39.69 ? 255 ILE B CG2 1 -ATOM 4659 C CD1 . ILE B 2 277 ? -35.578 -39.402 14.208 1.00 57.89 ? 255 ILE B CD1 1 -ATOM 4660 N N . PRO B 2 278 ? -33.447 -38.451 9.493 1.00 43.23 ? 256 PRO B N 1 -ATOM 4661 C CA . PRO B 2 278 ? -33.153 -38.428 8.054 1.00 35.72 ? 256 PRO B CA 1 -ATOM 4662 C C . PRO B 2 278 ? -33.889 -39.577 7.351 1.00 45.15 ? 256 PRO B C 1 -ATOM 4663 O O . PRO B 2 278 ? -33.985 -40.656 7.934 1.00 48.03 ? 256 PRO B O 1 -ATOM 4664 C CB . PRO B 2 278 ? -31.644 -38.662 7.989 1.00 39.00 ? 256 PRO B CB 1 -ATOM 4665 C CG . PRO B 2 278 ? -31.149 -38.461 9.391 1.00 45.11 ? 256 PRO B CG 1 -ATOM 4666 C CD . PRO B 2 278 ? -32.271 -38.813 10.296 1.00 46.49 ? 256 PRO B CD 1 -ATOM 4667 N N . PHE B 2 279 ? -34.420 -39.345 6.156 1.00 35.46 ? 257 PHE B N 1 -ATOM 4668 C CA . PHE B 2 279 ? -35.039 -40.390 5.388 1.00 42.77 ? 257 PHE B CA 1 -ATOM 4669 C C . PHE B 2 279 ? -34.989 -40.008 3.923 1.00 45.24 ? 257 PHE B C 1 -ATOM 4670 O O . PHE B 2 279 ? -34.631 -38.889 3.584 1.00 40.16 ? 257 PHE B O 1 -ATOM 4671 C CB . PHE B 2 279 ? -36.479 -40.660 5.875 1.00 42.63 ? 257 PHE B CB 1 -ATOM 4672 C CG . PHE B 2 279 ? -37.448 -39.544 5.613 1.00 35.51 ? 257 PHE B CG 1 -ATOM 4673 C CD1 . PHE B 2 279 ? -37.568 -38.492 6.507 1.00 46.11 ? 257 PHE B CD1 1 -ATOM 4674 C CD2 . PHE B 2 279 ? -38.265 -39.563 4.493 1.00 36.27 ? 257 PHE B CD2 1 -ATOM 4675 C CE1 . PHE B 2 279 ? -38.482 -37.454 6.281 1.00 42.24 ? 257 PHE B CE1 1 -ATOM 4676 C CE2 . PHE B 2 279 ? -39.170 -38.536 4.260 1.00 53.79 ? 257 PHE B CE2 1 -ATOM 4677 C CZ . PHE B 2 279 ? -39.272 -37.476 5.161 1.00 39.44 ? 257 PHE B CZ 1 -ATOM 4678 N N . ASP B 2 280 ? -35.291 -40.971 3.060 1.00 44.00 ? 258 ASP B N 1 -ATOM 4679 C CA . ASP B 2 280 ? -35.392 -40.759 1.626 1.00 38.49 ? 258 ASP B CA 1 -ATOM 4680 C C . ASP B 2 280 ? -36.640 -41.517 1.190 1.00 40.25 ? 258 ASP B C 1 -ATOM 4681 O O . ASP B 2 280 ? -37.163 -42.315 1.953 1.00 38.98 ? 258 ASP B O 1 -ATOM 4682 C CB . ASP B 2 280 ? -34.158 -41.279 0.879 1.00 33.19 ? 258 ASP B CB 1 -ATOM 4683 C CG . ASP B 2 280 ? -33.931 -40.556 -0.471 1.00 53.42 ? 258 ASP B CG 1 -ATOM 4684 O OD1 . ASP B 2 280 ? -34.809 -39.753 -0.922 1.00 45.86 ? 258 ASP B OD1 1 -ATOM 4685 O OD2 . ASP B 2 280 ? -32.889 -40.829 -1.108 1.00 49.42 ? 258 ASP B OD2 1 -ATOM 4686 N N . LYS B 2 281 ? -37.156 -41.243 -0.003 1.00 47.96 ? 259 LYS B N 1 -ATOM 4687 C CA . LYS B 2 281 ? -38.273 -42.037 -0.510 1.00 46.78 ? 259 LYS B CA 1 -ATOM 4688 C C . LYS B 2 281 ? -38.035 -42.382 -1.975 1.00 45.58 ? 259 LYS B C 1 -ATOM 4689 O O . LYS B 2 281 ? -37.255 -41.711 -2.649 1.00 35.00 ? 259 LYS B O 1 -ATOM 4690 C CB . LYS B 2 281 ? -39.613 -41.307 -0.327 1.00 48.22 ? 259 LYS B CB 1 -ATOM 4691 C CG . LYS B 2 281 ? -39.714 -39.952 -1.013 1.00 49.01 ? 259 LYS B CG 1 -ATOM 4692 C CD . LYS B 2 281 ? -41.047 -39.221 -0.698 1.00 47.35 ? 259 LYS B CD 1 -ATOM 4693 C CE . LYS B 2 281 ? -40.866 -38.135 0.361 1.00 57.93 ? 259 LYS B CE 1 -ATOM 4694 N NZ . LYS B 2 281 ? -42.033 -37.185 0.484 1.00 45.51 ? 259 LYS B NZ 1 -ATOM 4695 N N . VAL B 2 282 ? -38.678 -43.444 -2.456 1.00 37.00 ? 260 VAL B N 1 -ATOM 4696 C CA . VAL B 2 282 ? -38.500 -43.878 -3.835 1.00 38.76 ? 260 VAL B CA 1 -ATOM 4697 C C . VAL B 2 282 ? -39.743 -44.627 -4.270 1.00 39.85 ? 260 VAL B C 1 -ATOM 4698 O O . VAL B 2 282 ? -40.424 -45.233 -3.449 1.00 50.39 ? 260 VAL B O 1 -ATOM 4699 C CB . VAL B 2 282 ? -37.250 -44.791 -4.024 1.00 39.02 ? 260 VAL B CB 1 -ATOM 4700 C CG1 . VAL B 2 282 ? -37.550 -46.209 -3.613 1.00 42.53 ? 260 VAL B CG1 1 -ATOM 4701 C CG2 . VAL B 2 282 ? -36.770 -44.764 -5.486 1.00 31.35 ? 260 VAL B CG2 1 -ATOM 4702 N N . THR B 2 283 ? -40.042 -44.579 -5.562 1.00 41.43 ? 261 THR B N 1 -ATOM 4703 C CA . THR B 2 283 ? -41.150 -45.328 -6.114 1.00 44.43 ? 261 THR B CA 1 -ATOM 4704 C C . THR B 2 283 ? -40.618 -46.438 -7.002 1.00 47.84 ? 261 THR B C 1 -ATOM 4705 O O . THR B 2 283 ? -39.734 -46.213 -7.828 1.00 48.15 ? 261 THR B O 1 -ATOM 4706 C CB . THR B 2 283 ? -42.115 -44.409 -6.903 1.00 55.81 ? 261 THR B CB 1 -ATOM 4707 O OG1 . THR B 2 283 ? -42.702 -43.459 -5.999 1.00 51.76 ? 261 THR B OG1 1 -ATOM 4708 C CG2 . THR B 2 283 ? -43.230 -45.219 -7.523 1.00 47.21 ? 261 THR B CG2 1 -ATOM 4709 N N . GLN B 2 284 ? -41.124 -47.650 -6.790 1.00 48.21 ? 262 GLN B N 1 -ATOM 4710 C CA . GLN B 2 284 ? -40.701 -48.824 -7.557 1.00 44.32 ? 262 GLN B CA 1 -ATOM 4711 C C . GLN B 2 284 ? -41.806 -49.070 -8.595 1.00 45.96 ? 262 GLN B C 1 -ATOM 4712 O O . GLN B 2 284 ? -42.990 -49.103 -8.252 1.00 47.42 ? 262 GLN B O 1 -ATOM 4713 C CB . GLN B 2 284 ? -40.455 -50.025 -6.612 1.00 44.84 ? 262 GLN B CB 1 -ATOM 4714 C CG . GLN B 2 284 ? -40.169 -51.383 -7.256 1.00 47.04 ? 262 GLN B CG 1 -ATOM 4715 C CD . GLN B 2 284 ? -40.396 -52.574 -6.303 1.00 43.93 ? 262 GLN B CD 1 -ATOM 4716 O OE1 . GLN B 2 284 ? -41.155 -52.481 -5.336 1.00 48.60 ? 262 GLN B OE1 1 -ATOM 4717 N NE2 . GLN B 2 284 ? -39.733 -53.696 -6.581 1.00 52.58 ? 262 GLN B NE2 1 -ATOM 4718 N N . GLU B 2 285 ? -41.445 -49.093 -9.876 1.00 49.53 ? 263 GLU B N 1 -ATOM 4719 C CA . GLU B 2 285 ? -42.416 -49.449 -10.908 1.00 51.70 ? 263 GLU B CA 1 -ATOM 4720 C C . GLU B 2 285 ? -42.182 -50.888 -11.367 1.00 60.30 ? 263 GLU B C 1 -ATOM 4721 O O . GLU B 2 285 ? -41.152 -51.514 -11.030 1.00 46.88 ? 263 GLU B O 1 -ATOM 4722 C CB . GLU B 2 285 ? -42.379 -48.494 -12.108 1.00 50.29 ? 263 GLU B CB 1 -ATOM 4723 C CG . GLU B 2 285 ? -42.705 -47.035 -11.752 1.00 64.48 ? 263 GLU B CG 1 -ATOM 4724 C CD . GLU B 2 285 ? -41.472 -46.146 -11.598 1.00 79.75 ? 263 GLU B CD 1 -ATOM 4725 O OE1 . GLU B 2 285 ? -40.328 -46.665 -11.624 1.00 77.34 ? 263 GLU B OE1 1 -ATOM 4726 O OE2 . GLU B 2 285 ? -41.658 -44.923 -11.391 1.00 88.50 ? 263 GLU B OE2 1 -ATOM 4727 N N . ALA B 2 286 ? -43.178 -51.409 -12.083 1.00 50.56 ? 264 ALA B N 1 -ATOM 4728 C CA . ALA B 2 286 ? -43.204 -52.794 -12.515 1.00 50.21 ? 264 ALA B CA 1 -ATOM 4729 C C . ALA B 2 286 ? -41.963 -53.169 -13.311 1.00 50.75 ? 264 ALA B C 1 -ATOM 4730 O O . ALA B 2 286 ? -41.553 -52.443 -14.219 1.00 59.45 ? 264 ALA B O 1 -ATOM 4731 C CB . ALA B 2 286 ? -44.439 -53.047 -13.329 1.00 43.28 ? 264 ALA B CB 1 -ATOM 4732 N N . GLY B 2 287 ? -41.359 -54.296 -12.956 1.00 46.77 ? 265 GLY B N 1 -ATOM 4733 C CA . GLY B 2 287 ? -40.217 -54.812 -13.684 1.00 44.11 ? 265 GLY B CA 1 -ATOM 4734 C C . GLY B 2 287 ? -38.914 -54.428 -13.030 1.00 49.29 ? 265 GLY B C 1 -ATOM 4735 O O . GLY B 2 287 ? -37.839 -54.700 -13.567 1.00 54.32 ? 265 GLY B O 1 -ATOM 4736 N N . GLU B 2 288 ? -39.011 -53.813 -11.857 1.00 48.63 ? 266 GLU B N 1 -ATOM 4737 C CA . GLU B 2 288 ? -37.834 -53.339 -11.130 1.00 46.84 ? 266 GLU B CA 1 -ATOM 4738 C C . GLU B 2 288 ? -37.705 -53.966 -9.764 1.00 43.42 ? 266 GLU B C 1 -ATOM 4739 O O . GLU B 2 288 ? -38.714 -54.332 -9.147 1.00 47.46 ? 266 GLU B O 1 -ATOM 4740 C CB . GLU B 2 288 ? -37.874 -51.804 -10.988 1.00 47.92 ? 266 GLU B CB 1 -ATOM 4741 N N . PHE B 2 289 ? -36.452 -54.058 -9.302 1.00 48.68 ? 267 PHE B N 1 -ATOM 4742 C CA . PHE B 2 289 ? -36.071 -54.610 -8.000 1.00 43.00 ? 267 PHE B CA 1 -ATOM 4743 C C . PHE B 2 289 ? -35.820 -53.530 -6.946 1.00 47.09 ? 267 PHE B C 1 -ATOM 4744 O O . PHE B 2 289 ? -35.167 -52.523 -7.237 1.00 44.37 ? 267 PHE B O 1 -ATOM 4745 C CB . PHE B 2 289 ? -34.775 -55.431 -8.126 1.00 49.52 ? 267 PHE B CB 1 -ATOM 4746 C CG . PHE B 2 289 ? -34.936 -56.729 -8.868 1.00 53.12 ? 267 PHE B CG 1 -ATOM 4747 C CD1 . PHE B 2 289 ? -35.376 -57.872 -8.218 1.00 49.10 ? 267 PHE B CD1 1 -ATOM 4748 C CD2 . PHE B 2 289 ? -34.659 -56.798 -10.230 1.00 53.19 ? 267 PHE B CD2 1 -ATOM 4749 C CE1 . PHE B 2 289 ? -35.529 -59.073 -8.919 1.00 52.55 ? 267 PHE B CE1 1 -ATOM 4750 C CE2 . PHE B 2 289 ? -34.811 -57.985 -10.935 1.00 53.01 ? 267 PHE B CE2 1 -ATOM 4751 C CZ . PHE B 2 289 ? -35.242 -59.127 -10.277 1.00 41.14 ? 267 PHE B CZ 1 -ATOM 4752 N N . MET B 2 290 ? -36.283 -53.776 -5.719 1.00 41.93 ? 268 MET B N 1 -ATOM 4753 C CA . MET B 2 290 ? -35.781 -53.099 -4.529 1.00 40.77 ? 268 MET B CA 1 -ATOM 4754 C C . MET B 2 290 ? -35.009 -54.102 -3.678 1.00 51.83 ? 268 MET B C 1 -ATOM 4755 O O . MET B 2 290 ? -35.433 -55.250 -3.500 1.00 52.64 ? 268 MET B O 1 -ATOM 4756 C CB . MET B 2 290 ? -36.907 -52.488 -3.698 1.00 30.37 ? 268 MET B CB 1 -ATOM 4757 C CG . MET B 2 290 ? -37.816 -51.563 -4.499 1.00 44.37 ? 268 MET B CG 1 -ATOM 4758 S SD . MET B 2 290 ? -36.941 -50.068 -5.041 1.00 48.66 ? 268 MET B SD 1 -ATOM 4759 C CE . MET B 2 290 ? -36.114 -49.756 -3.520 1.00 31.64 ? 268 MET B CE 1 -ATOM 4760 N N . ILE B 2 291 ? -33.885 -53.628 -3.157 1.00 38.62 ? 269 ILE B N 1 -ATOM 4761 C CA . ILE B 2 291 ? -32.994 -54.331 -2.257 1.00 42.10 ? 269 ILE B CA 1 -ATOM 4762 C C . ILE B 2 291 ? -32.931 -53.558 -0.947 1.00 51.04 ? 269 ILE B C 1 -ATOM 4763 O O . ILE B 2 291 ? -32.601 -52.353 -0.935 1.00 45.10 ? 269 ILE B O 1 -ATOM 4764 C CB . ILE B 2 291 ? -31.554 -54.435 -2.838 1.00 46.52 ? 269 ILE B CB 1 -ATOM 4765 C CG1 . ILE B 2 291 ? -31.527 -55.144 -4.199 1.00 42.04 ? 269 ILE B CG1 1 -ATOM 4766 C CG2 . ILE B 2 291 ? -30.610 -55.048 -1.843 1.00 47.59 ? 269 ILE B CG2 1 -ATOM 4767 C CD1 . ILE B 2 291 ? -31.913 -56.612 -4.144 1.00 54.69 ? 269 ILE B CD1 1 -ATOM 4768 N N . THR B 2 292 ? -33.255 -54.218 0.157 1.00 45.14 ? 270 THR B N 1 -ATOM 4769 C CA . THR B 2 292 ? -33.106 -53.581 1.458 1.00 37.01 ? 270 THR B CA 1 -ATOM 4770 C C . THR B 2 292 ? -31.926 -54.175 2.208 1.00 52.29 ? 270 THR B C 1 -ATOM 4771 O O . THR B 2 292 ? -31.676 -55.390 2.150 1.00 43.57 ? 270 THR B O 1 -ATOM 4772 C CB . THR B 2 292 ? -34.359 -53.731 2.336 1.00 47.42 ? 270 THR B CB 1 -ATOM 4773 O OG1 . THR B 2 292 ? -34.294 -54.978 3.037 1.00 51.26 ? 270 THR B OG1 1 -ATOM 4774 C CG2 . THR B 2 292 ? -35.688 -53.630 1.496 1.00 33.43 ? 270 THR B CG2 1 -ATOM 4775 N N . PHE B 2 293 ? -31.251 -53.332 2.986 1.00 43.52 ? 271 PHE B N 1 -ATOM 4776 C CA . PHE B 2 293 ? -30.012 -53.718 3.630 1.00 35.57 ? 271 PHE B CA 1 -ATOM 4777 C C . PHE B 2 293 ? -30.189 -53.945 5.111 1.00 36.01 ? 271 PHE B C 1 -ATOM 4778 O O . PHE B 2 293 ? -31.226 -53.583 5.664 1.00 50.34 ? 271 PHE B O 1 -ATOM 4779 C CB . PHE B 2 293 ? -28.946 -52.666 3.360 1.00 41.08 ? 271 PHE B CB 1 -ATOM 4780 C CG . PHE B 2 293 ? -28.566 -52.582 1.933 1.00 46.91 ? 271 PHE B CG 1 -ATOM 4781 C CD1 . PHE B 2 293 ? -27.568 -53.405 1.429 1.00 34.02 ? 271 PHE B CD1 1 -ATOM 4782 C CD2 . PHE B 2 293 ? -29.214 -51.699 1.076 1.00 51.09 ? 271 PHE B CD2 1 -ATOM 4783 C CE1 . PHE B 2 293 ? -27.214 -53.353 0.106 1.00 36.03 ? 271 PHE B CE1 1 -ATOM 4784 C CE2 . PHE B 2 293 ? -28.868 -51.637 -0.264 1.00 42.39 ? 271 PHE B CE2 1 -ATOM 4785 C CZ . PHE B 2 293 ? -27.859 -52.466 -0.748 1.00 51.06 ? 271 PHE B CZ 1 -ATOM 4786 N N . PRO B 2 294 ? -29.222 -54.629 5.745 1.00 37.71 ? 272 PRO B N 1 -ATOM 4787 C CA . PRO B 2 294 ? -29.325 -54.903 7.174 1.00 43.51 ? 272 PRO B CA 1 -ATOM 4788 C C . PRO B 2 294 ? -29.518 -53.635 8.016 1.00 47.58 ? 272 PRO B C 1 -ATOM 4789 O O . PRO B 2 294 ? -28.757 -52.673 7.886 1.00 43.33 ? 272 PRO B O 1 -ATOM 4790 C CB . PRO B 2 294 ? -27.981 -55.558 7.500 1.00 38.45 ? 272 PRO B CB 1 -ATOM 4791 C CG . PRO B 2 294 ? -27.569 -56.208 6.263 1.00 39.56 ? 272 PRO B CG 1 -ATOM 4792 C CD . PRO B 2 294 ? -28.055 -55.317 5.152 1.00 45.25 ? 272 PRO B CD 1 -ATOM 4793 N N . TYR B 2 295 ? -30.504 -53.690 8.901 1.00 43.65 ? 273 TYR B N 1 -ATOM 4794 C CA . TYR B 2 295 ? -30.860 -52.609 9.800 1.00 45.26 ? 273 TYR B CA 1 -ATOM 4795 C C . TYR B 2 295 ? -31.374 -51.378 9.040 1.00 46.13 ? 273 TYR B C 1 -ATOM 4796 O O . TYR B 2 295 ? -31.392 -50.289 9.589 1.00 44.74 ? 273 TYR B O 1 -ATOM 4797 C CB . TYR B 2 295 ? -29.679 -52.227 10.701 1.00 41.01 ? 273 TYR B CB 1 -ATOM 4798 C CG . TYR B 2 295 ? -30.114 -51.552 12.005 1.00 44.58 ? 273 TYR B CG 1 -ATOM 4799 C CD1 . TYR B 2 295 ? -31.006 -52.187 12.869 1.00 36.58 ? 273 TYR B CD1 1 -ATOM 4800 C CD2 . TYR B 2 295 ? -29.643 -50.278 12.362 1.00 49.44 ? 273 TYR B CD2 1 -ATOM 4801 C CE1 . TYR B 2 295 ? -31.425 -51.589 14.046 1.00 41.92 ? 273 TYR B CE1 1 -ATOM 4802 C CE2 . TYR B 2 295 ? -30.061 -49.654 13.566 1.00 42.64 ? 273 TYR B CE2 1 -ATOM 4803 C CZ . TYR B 2 295 ? -30.957 -50.324 14.395 1.00 50.11 ? 273 TYR B CZ 1 -ATOM 4804 O OH . TYR B 2 295 ? -31.398 -49.758 15.577 1.00 58.32 ? 273 TYR B OH 1 -ATOM 4805 N N . GLY B 2 296 ? -31.787 -51.553 7.787 1.00 40.58 ? 274 GLY B N 1 -ATOM 4806 C CA . GLY B 2 296 ? -32.436 -50.472 7.066 1.00 40.58 ? 274 GLY B CA 1 -ATOM 4807 C C . GLY B 2 296 ? -33.939 -50.431 7.341 1.00 41.49 ? 274 GLY B C 1 -ATOM 4808 O O . GLY B 2 296 ? -34.693 -51.191 6.747 1.00 36.90 ? 274 GLY B O 1 -ATOM 4809 N N . TYR B 2 297 ? -34.383 -49.587 8.263 1.00 38.43 ? 275 TYR B N 1 -ATOM 4810 C CA . TYR B 2 297 ? -35.833 -49.431 8.492 1.00 40.47 ? 275 TYR B CA 1 -ATOM 4811 C C . TYR B 2 297 ? -36.548 -48.938 7.252 1.00 41.22 ? 275 TYR B C 1 -ATOM 4812 O O . TYR B 2 297 ? -36.065 -48.025 6.590 1.00 38.24 ? 275 TYR B O 1 -ATOM 4813 C CB . TYR B 2 297 ? -36.114 -48.495 9.648 1.00 35.42 ? 275 TYR B CB 1 -ATOM 4814 C CG . TYR B 2 297 ? -36.019 -49.176 10.981 1.00 43.48 ? 275 TYR B CG 1 -ATOM 4815 C CD1 . TYR B 2 297 ? -37.029 -50.036 11.416 1.00 46.62 ? 275 TYR B CD1 1 -ATOM 4816 C CD2 . TYR B 2 297 ? -34.930 -48.975 11.800 1.00 37.46 ? 275 TYR B CD2 1 -ATOM 4817 C CE1 . TYR B 2 297 ? -36.944 -50.673 12.637 1.00 40.07 ? 275 TYR B CE1 1 -ATOM 4818 C CE2 . TYR B 2 297 ? -34.843 -49.583 13.006 1.00 44.11 ? 275 TYR B CE2 1 -ATOM 4819 C CZ . TYR B 2 297 ? -35.847 -50.444 13.424 1.00 42.00 ? 275 TYR B CZ 1 -ATOM 4820 O OH . TYR B 2 297 ? -35.736 -51.066 14.652 1.00 45.71 ? 275 TYR B OH 1 -ATOM 4821 N N . HIS B 2 298 ? -37.676 -49.566 6.912 1.00 34.57 ? 276 HIS B N 1 -ATOM 4822 C CA . HIS B 2 298 ? -38.417 -49.144 5.734 1.00 41.23 ? 276 HIS B CA 1 -ATOM 4823 C C . HIS B 2 298 ? -39.917 -49.347 5.880 1.00 34.36 ? 276 HIS B C 1 -ATOM 4824 O O . HIS B 2 298 ? -40.389 -50.050 6.766 1.00 40.70 ? 276 HIS B O 1 -ATOM 4825 C CB . HIS B 2 298 ? -37.897 -49.850 4.461 1.00 37.80 ? 276 HIS B CB 1 -ATOM 4826 C CG . HIS B 2 298 ? -37.877 -51.329 4.555 1.00 38.36 ? 276 HIS B CG 1 -ATOM 4827 N ND1 . HIS B 2 298 ? -36.977 -52.006 5.345 1.00 53.34 ? 276 HIS B ND1 1 -ATOM 4828 C CD2 . HIS B 2 298 ? -38.665 -52.278 3.986 1.00 47.20 ? 276 HIS B CD2 1 -ATOM 4829 C CE1 . HIS B 2 298 ? -37.192 -53.308 5.240 1.00 50.81 ? 276 HIS B CE1 1 -ATOM 4830 N NE2 . HIS B 2 298 ? -38.202 -53.500 4.411 1.00 28.30 ? 276 HIS B NE2 1 -ATOM 4831 N N . ALA B 2 299 ? -40.659 -48.669 5.016 1.00 35.57 ? 277 ALA B N 1 -ATOM 4832 C CA . ALA B 2 299 ? -42.115 -48.671 5.013 1.00 33.41 ? 277 ALA B CA 1 -ATOM 4833 C C . ALA B 2 299 ? -42.553 -48.153 3.672 1.00 42.06 ? 277 ALA B C 1 -ATOM 4834 O O . ALA B 2 299 ? -41.723 -47.658 2.893 1.00 35.92 ? 277 ALA B O 1 -ATOM 4835 C CB . ALA B 2 299 ? -42.679 -47.818 6.109 1.00 39.68 ? 277 ALA B CB 1 -ATOM 4836 N N . GLY B 2 300 ? -43.848 -48.267 3.396 1.00 37.16 ? 278 GLY B N 1 -ATOM 4837 C CA . GLY B 2 300 ? -44.407 -47.731 2.162 1.00 40.81 ? 278 GLY B CA 1 -ATOM 4838 C C . GLY B 2 300 ? -45.833 -48.176 1.909 1.00 42.37 ? 278 GLY B C 1 -ATOM 4839 O O . GLY B 2 300 ? -46.442 -48.793 2.773 1.00 39.21 ? 278 GLY B O 1 -ATOM 4840 N N . PHE B 2 301 ? -46.358 -47.867 0.727 1.00 48.46 ? 279 PHE B N 1 -ATOM 4841 C CA . PHE B 2 301 ? -47.706 -48.260 0.353 1.00 31.34 ? 279 PHE B CA 1 -ATOM 4842 C C . PHE B 2 301 ? -47.768 -48.629 -1.117 1.00 42.14 ? 279 PHE B C 1 -ATOM 4843 O O . PHE B 2 301 ? -46.864 -48.311 -1.894 1.00 46.38 ? 279 PHE B O 1 -ATOM 4844 C CB . PHE B 2 301 ? -48.703 -47.152 0.643 1.00 37.20 ? 279 PHE B CB 1 -ATOM 4845 C CG . PHE B 2 301 ? -48.429 -45.877 -0.121 1.00 38.19 ? 279 PHE B CG 1 -ATOM 4846 C CD1 . PHE B 2 301 ? -47.534 -44.946 0.361 1.00 46.10 ? 279 PHE B CD1 1 -ATOM 4847 C CD2 . PHE B 2 301 ? -49.068 -45.622 -1.320 1.00 38.77 ? 279 PHE B CD2 1 -ATOM 4848 C CE1 . PHE B 2 301 ? -47.270 -43.759 -0.351 1.00 41.15 ? 279 PHE B CE1 1 -ATOM 4849 C CE2 . PHE B 2 301 ? -48.820 -44.452 -2.037 1.00 40.74 ? 279 PHE B CE2 1 -ATOM 4850 C CZ . PHE B 2 301 ? -47.893 -43.532 -1.556 1.00 38.45 ? 279 PHE B CZ 1 -ATOM 4851 N N . ASN B 2 302 ? -48.826 -49.346 -1.479 1.00 39.79 ? 280 ASN B N 1 -ATOM 4852 C CA . ASN B 2 302 ? -49.121 -49.671 -2.862 1.00 40.46 ? 280 ASN B CA 1 -ATOM 4853 C C . ASN B 2 302 ? -50.006 -48.628 -3.534 1.00 38.68 ? 280 ASN B C 1 -ATOM 4854 O O . ASN B 2 302 ? -50.917 -48.107 -2.904 1.00 37.26 ? 280 ASN B O 1 -ATOM 4855 C CB . ASN B 2 302 ? -49.769 -51.051 -2.900 1.00 36.30 ? 280 ASN B CB 1 -ATOM 4856 C CG . ASN B 2 302 ? -48.792 -52.137 -2.530 1.00 43.81 ? 280 ASN B CG 1 -ATOM 4857 O OD1 . ASN B 2 302 ? -47.731 -52.242 -3.142 1.00 45.67 ? 280 ASN B OD1 1 -ATOM 4858 N ND2 . ASN B 2 302 ? -49.091 -52.892 -1.466 1.00 39.16 ? 280 ASN B ND2 1 -ATOM 4859 N N . HIS B 2 303 ? -49.734 -48.329 -4.806 1.00 42.64 ? 281 HIS B N 1 -ATOM 4860 C CA . HIS B 2 303 ? -50.535 -47.354 -5.561 1.00 44.19 ? 281 HIS B CA 1 -ATOM 4861 C C . HIS B 2 303 ? -51.817 -47.969 -6.082 1.00 53.33 ? 281 HIS B C 1 -ATOM 4862 O O . HIS B 2 303 ? -52.816 -47.279 -6.241 1.00 53.97 ? 281 HIS B O 1 -ATOM 4863 C CB . HIS B 2 303 ? -49.760 -46.786 -6.752 1.00 46.99 ? 281 HIS B CB 1 -ATOM 4864 C CG . HIS B 2 303 ? -48.643 -45.856 -6.378 1.00 54.46 ? 281 HIS B CG 1 -ATOM 4865 N ND1 . HIS B 2 303 ? -48.183 -44.874 -7.228 1.00 58.76 ? 281 HIS B ND1 1 -ATOM 4866 C CD2 . HIS B 2 303 ? -47.888 -45.764 -5.259 1.00 48.65 ? 281 HIS B CD2 1 -ATOM 4867 C CE1 . HIS B 2 303 ? -47.198 -44.213 -6.647 1.00 57.25 ? 281 HIS B CE1 1 -ATOM 4868 N NE2 . HIS B 2 303 ? -46.999 -44.734 -5.451 1.00 56.29 ? 281 HIS B NE2 1 -ATOM 4869 N N . GLY B 2 304 ? -51.778 -49.262 -6.392 1.00 43.77 ? 282 GLY B N 1 -ATOM 4870 C CA . GLY B 2 304 ? -52.965 -49.925 -6.876 1.00 39.03 ? 282 GLY B CA 1 -ATOM 4871 C C . GLY B 2 304 ? -52.702 -51.387 -7.042 1.00 52.47 ? 282 GLY B C 1 -ATOM 4872 O O . GLY B 2 304 ? -51.691 -51.902 -6.540 1.00 50.77 ? 282 GLY B O 1 -ATOM 4873 N N . PHE B 2 305 ? -53.587 -52.061 -7.769 1.00 54.16 ? 283 PHE B N 1 -ATOM 4874 C CA . PHE B 2 305 ? -53.463 -53.497 -7.896 1.00 45.72 ? 283 PHE B CA 1 -ATOM 4875 C C . PHE B 2 305 ? -52.145 -53.845 -8.522 1.00 51.03 ? 283 PHE B C 1 -ATOM 4876 O O . PHE B 2 305 ? -51.803 -53.355 -9.595 1.00 56.23 ? 283 PHE B O 1 -ATOM 4877 C CB . PHE B 2 305 ? -54.591 -54.113 -8.720 1.00 55.42 ? 283 PHE B CB 1 -ATOM 4878 C CG . PHE B 2 305 ? -54.380 -55.577 -8.994 1.00 63.23 ? 283 PHE B CG 1 -ATOM 4879 C CD1 . PHE B 2 305 ? -54.549 -56.512 -7.989 1.00 55.56 ? 283 PHE B CD1 1 -ATOM 4880 C CD2 . PHE B 2 305 ? -53.972 -56.011 -10.243 1.00 65.82 ? 283 PHE B CD2 1 -ATOM 4881 C CE1 . PHE B 2 305 ? -54.341 -57.853 -8.233 1.00 70.33 ? 283 PHE B CE1 1 -ATOM 4882 C CE2 . PHE B 2 305 ? -53.765 -57.350 -10.495 1.00 65.95 ? 283 PHE B CE2 1 -ATOM 4883 C CZ . PHE B 2 305 ? -53.949 -58.275 -9.491 1.00 69.66 ? 283 PHE B CZ 1 -ATOM 4884 N N . ASN B 2 306 ? -51.410 -54.706 -7.833 1.00 48.14 ? 284 ASN B N 1 -ATOM 4885 C CA . ASN B 2 306 ? -50.133 -55.169 -8.312 1.00 47.73 ? 284 ASN B CA 1 -ATOM 4886 C C . ASN B 2 306 ? -49.758 -56.473 -7.646 1.00 47.99 ? 284 ASN B C 1 -ATOM 4887 O O . ASN B 2 306 ? -50.519 -57.034 -6.854 1.00 56.65 ? 284 ASN B O 1 -ATOM 4888 C CB . ASN B 2 306 ? -49.034 -54.108 -8.094 1.00 51.24 ? 284 ASN B CB 1 -ATOM 4889 C CG . ASN B 2 306 ? -48.807 -53.744 -6.626 1.00 54.63 ? 284 ASN B CG 1 -ATOM 4890 O OD1 . ASN B 2 306 ? -49.226 -54.448 -5.698 1.00 52.28 ? 284 ASN B OD1 1 -ATOM 4891 N ND2 . ASN B 2 306 ? -48.100 -52.635 -6.416 1.00 49.49 ? 284 ASN B ND2 1 -ATOM 4892 N N . CYS B 2 307 ? -48.579 -56.958 -7.976 1.00 45.25 ? 285 CYS B N 1 -ATOM 4893 C CA . CYS B 2 307 ? -48.096 -58.170 -7.367 1.00 43.45 ? 285 CYS B CA 1 -ATOM 4894 C C . CYS B 2 307 ? -46.602 -58.113 -7.278 1.00 45.06 ? 285 CYS B C 1 -ATOM 4895 O O . CYS B 2 307 ? -45.942 -57.719 -8.230 1.00 46.98 ? 285 CYS B O 1 -ATOM 4896 C CB . CYS B 2 307 ? -48.539 -59.392 -8.149 1.00 50.58 ? 285 CYS B CB 1 -ATOM 4897 S SG . CYS B 2 307 ? -47.675 -60.867 -7.629 1.00 57.88 ? 285 CYS B SG 1 -ATOM 4898 N N . ALA B 2 308 ? -46.085 -58.438 -6.096 1.00 44.76 ? 286 ALA B N 1 -ATOM 4899 C CA . ALA B 2 308 ? -44.663 -58.431 -5.842 1.00 42.72 ? 286 ALA B CA 1 -ATOM 4900 C C . ALA B 2 308 ? -44.248 -59.749 -5.192 1.00 40.58 ? 286 ALA B C 1 -ATOM 4901 O O . ALA B 2 308 ? -44.991 -60.318 -4.415 1.00 51.43 ? 286 ALA B O 1 -ATOM 4902 C CB . ALA B 2 308 ? -44.275 -57.263 -4.936 1.00 31.63 ? 286 ALA B CB 1 -ATOM 4903 N N . GLU B 2 309 ? -43.047 -60.194 -5.513 1.00 39.38 ? 287 GLU B N 1 -ATOM 4904 C CA . GLU B 2 309 ? -42.419 -61.366 -4.926 1.00 53.60 ? 287 GLU B CA 1 -ATOM 4905 C C . GLU B 2 309 ? -41.194 -60.958 -4.137 1.00 47.44 ? 287 GLU B C 1 -ATOM 4906 O O . GLU B 2 309 ? -40.429 -60.106 -4.599 1.00 48.88 ? 287 GLU B O 1 -ATOM 4907 C CB . GLU B 2 309 ? -42.009 -62.353 -6.013 1.00 52.63 ? 287 GLU B CB 1 -ATOM 4908 C CG . GLU B 2 309 ? -41.616 -63.712 -5.498 1.00 54.55 ? 287 GLU B CG 1 -ATOM 4909 C CD . GLU B 2 309 ? -41.327 -64.698 -6.623 1.00 64.61 ? 287 GLU B CD 1 -ATOM 4910 O OE1 . GLU B 2 309 ? -42.038 -64.692 -7.655 1.00 61.27 ? 287 GLU B OE1 1 -ATOM 4911 O OE2 . GLU B 2 309 ? -40.347 -65.454 -6.477 1.00 63.60 ? 287 GLU B OE2 1 -ATOM 4912 N N . SER B 2 310 ? -40.975 -61.607 -2.994 1.00 48.28 ? 288 SER B N 1 -ATOM 4913 C CA . SER B 2 310 ? -39.921 -61.219 -2.059 1.00 50.48 ? 288 SER B CA 1 -ATOM 4914 C C . SER B 2 310 ? -39.303 -62.360 -1.230 1.00 55.28 ? 288 SER B C 1 -ATOM 4915 O O . SER B 2 310 ? -40.010 -63.297 -0.865 1.00 57.36 ? 288 SER B O 1 -ATOM 4916 C CB . SER B 2 310 ? -40.501 -60.158 -1.110 1.00 59.33 ? 288 SER B CB 1 -ATOM 4917 O OG . SER B 2 310 ? -39.686 -59.980 0.035 1.00 71.77 ? 288 SER B OG 1 -ATOM 4918 N N . THR B 2 311 ? -37.995 -62.260 -0.943 1.00 49.95 ? 289 THR B N 1 -ATOM 4919 C CA . THR B 2 311 ? -37.282 -63.088 0.060 1.00 53.19 ? 289 THR B CA 1 -ATOM 4920 C C . THR B 2 311 ? -36.158 -62.360 0.758 1.00 57.30 ? 289 THR B C 1 -ATOM 4921 O O . THR B 2 311 ? -35.656 -61.351 0.269 1.00 48.62 ? 289 THR B O 1 -ATOM 4922 C CB . THR B 2 311 ? -36.554 -64.364 -0.486 1.00 57.54 ? 289 THR B CB 1 -ATOM 4923 O OG1 . THR B 2 311 ? -35.840 -64.079 -1.699 1.00 60.59 ? 289 THR B OG1 1 -ATOM 4924 C CG2 . THR B 2 311 ? -37.494 -65.480 -0.696 1.00 59.08 ? 289 THR B CG2 1 -ATOM 4925 N N . ASN B 2 312 ? -35.709 -62.955 1.860 1.00 52.12 ? 290 ASN B N 1 -ATOM 4926 C CA . ASN B 2 312 ? -34.513 -62.513 2.540 1.00 47.15 ? 290 ASN B CA 1 -ATOM 4927 C C . ASN B 2 312 ? -33.289 -63.183 1.938 1.00 53.30 ? 290 ASN B C 1 -ATOM 4928 O O . ASN B 2 312 ? -33.412 -64.128 1.165 1.00 61.28 ? 290 ASN B O 1 -ATOM 4929 C CB . ASN B 2 312 ? -34.609 -62.794 4.037 1.00 38.30 ? 290 ASN B CB 1 -ATOM 4930 C CG . ASN B 2 312 ? -35.740 -62.000 4.704 1.00 63.77 ? 290 ASN B CG 1 -ATOM 4931 O OD1 . ASN B 2 312 ? -36.741 -62.572 5.151 1.00 62.15 ? 290 ASN B OD1 1 -ATOM 4932 N ND2 . ASN B 2 312 ? -35.597 -60.669 4.739 1.00 48.47 ? 290 ASN B ND2 1 -ATOM 4933 N N . PHE B 2 313 ? -32.116 -62.641 2.251 1.00 47.67 ? 291 PHE B N 1 -ATOM 4934 C CA . PHE B 2 313 ? -30.857 -63.229 1.853 1.00 45.01 ? 291 PHE B CA 1 -ATOM 4935 C C . PHE B 2 313 ? -29.774 -62.607 2.707 1.00 53.92 ? 291 PHE B C 1 -ATOM 4936 O O . PHE B 2 313 ? -30.056 -61.763 3.563 1.00 55.58 ? 291 PHE B O 1 -ATOM 4937 C CB . PHE B 2 313 ? -30.579 -63.045 0.353 1.00 49.97 ? 291 PHE B CB 1 -ATOM 4938 C CG . PHE B 2 313 ? -30.322 -61.619 -0.076 1.00 45.55 ? 291 PHE B CG 1 -ATOM 4939 C CD1 . PHE B 2 313 ? -29.046 -61.097 -0.065 1.00 47.89 ? 291 PHE B CD1 1 -ATOM 4940 C CD2 . PHE B 2 313 ? -31.353 -60.829 -0.548 1.00 48.08 ? 291 PHE B CD2 1 -ATOM 4941 C CE1 . PHE B 2 313 ? -28.801 -59.807 -0.480 1.00 45.10 ? 291 PHE B CE1 1 -ATOM 4942 C CE2 . PHE B 2 313 ? -31.124 -59.529 -0.967 1.00 49.62 ? 291 PHE B CE2 1 -ATOM 4943 C CZ . PHE B 2 313 ? -29.847 -59.016 -0.937 1.00 50.76 ? 291 PHE B CZ 1 -ATOM 4944 N N . ALA B 2 314 ? -28.537 -63.036 2.501 1.00 48.20 ? 292 ALA B N 1 -ATOM 4945 C CA . ALA B 2 314 ? -27.466 -62.614 3.385 1.00 40.61 ? 292 ALA B CA 1 -ATOM 4946 C C . ALA B 2 314 ? -26.156 -62.525 2.636 1.00 51.23 ? 292 ALA B C 1 -ATOM 4947 O O . ALA B 2 314 ? -26.044 -63.045 1.537 1.00 56.73 ? 292 ALA B O 1 -ATOM 4948 C CB . ALA B 2 314 ? -27.350 -63.571 4.568 1.00 55.50 ? 292 ALA B CB 1 -ATOM 4949 N N . THR B 2 315 ? -25.185 -61.840 3.235 1.00 46.08 ? 293 THR B N 1 -ATOM 4950 C CA . THR B 2 315 ? -23.802 -61.834 2.778 1.00 48.69 ? 293 THR B CA 1 -ATOM 4951 C C . THR B 2 315 ? -22.964 -61.965 4.028 1.00 47.03 ? 293 THR B C 1 -ATOM 4952 O O . THR B 2 315 ? -23.514 -62.151 5.108 1.00 51.79 ? 293 THR B O 1 -ATOM 4953 C CB . THR B 2 315 ? -23.404 -60.539 2.028 1.00 51.36 ? 293 THR B CB 1 -ATOM 4954 O OG1 . THR B 2 315 ? -23.290 -59.461 2.959 1.00 47.63 ? 293 THR B OG1 1 -ATOM 4955 C CG2 . THR B 2 315 ? -24.430 -60.192 0.970 1.00 55.03 ? 293 THR B CG2 1 -ATOM 4956 N N . ARG B 2 316 ? -21.643 -61.910 3.895 1.00 52.14 ? 294 ARG B N 1 -ATOM 4957 C CA . ARG B 2 316 ? -20.783 -62.041 5.070 1.00 51.22 ? 294 ARG B CA 1 -ATOM 4958 C C . ARG B 2 316 ? -20.943 -60.862 6.020 1.00 49.08 ? 294 ARG B C 1 -ATOM 4959 O O . ARG B 2 316 ? -20.913 -61.028 7.241 1.00 45.43 ? 294 ARG B O 1 -ATOM 4960 C CB . ARG B 2 316 ? -19.321 -62.173 4.661 1.00 63.59 ? 294 ARG B CB 1 -ATOM 4961 C CG . ARG B 2 316 ? -19.044 -63.353 3.756 1.00 75.73 ? 294 ARG B CG 1 -ATOM 4962 C CD . ARG B 2 316 ? -17.616 -63.858 3.911 1.00 76.43 ? 294 ARG B CD 1 -ATOM 4963 N NE . ARG B 2 316 ? -16.993 -64.098 2.608 1.00 94.88 ? 294 ARG B NE 1 -ATOM 4964 C CZ . ARG B 2 316 ? -17.377 -65.036 1.739 1.00 95.43 ? 294 ARG B CZ 1 -ATOM 4965 N NH1 . ARG B 2 316 ? -18.387 -65.852 2.019 1.00 97.13 ? 294 ARG B NH1 1 -ATOM 4966 N NH2 . ARG B 2 316 ? -16.742 -65.162 0.582 1.00 97.95 ? 294 ARG B NH2 1 -ATOM 4967 N N . ARG B 2 317 ? -21.117 -59.670 5.456 1.00 57.98 ? 295 ARG B N 1 -ATOM 4968 C CA . ARG B 2 317 ? -21.345 -58.473 6.257 1.00 47.39 ? 295 ARG B CA 1 -ATOM 4969 C C . ARG B 2 317 ? -22.597 -58.637 7.133 1.00 40.63 ? 295 ARG B C 1 -ATOM 4970 O O . ARG B 2 317 ? -22.638 -58.135 8.263 1.00 38.50 ? 295 ARG B O 1 -ATOM 4971 C CB . ARG B 2 317 ? -21.477 -57.248 5.347 1.00 60.57 ? 295 ARG B CB 1 -ATOM 4972 C CG . ARG B 2 317 ? -21.323 -55.906 6.055 1.00 64.84 ? 295 ARG B CG 1 -ATOM 4973 C CD . ARG B 2 317 ? -21.305 -54.782 5.036 1.00 53.42 ? 295 ARG B CD 1 -ATOM 4974 N NE . ARG B 2 317 ? -22.649 -54.642 4.517 1.00 61.07 ? 295 ARG B NE 1 -ATOM 4975 C CZ . ARG B 2 317 ? -23.576 -53.884 5.083 1.00 54.76 ? 295 ARG B CZ 1 -ATOM 4976 N NH1 . ARG B 2 317 ? -23.279 -53.159 6.157 1.00 52.40 ? 295 ARG B NH1 1 -ATOM 4977 N NH2 . ARG B 2 317 ? -24.793 -53.847 4.563 1.00 45.76 ? 295 ARG B NH2 1 -ATOM 4978 N N . TRP B 2 318 ? -23.606 -59.367 6.641 1.00 42.71 ? 296 TRP B N 1 -ATOM 4979 C CA . TRP B 2 318 ? -24.824 -59.566 7.448 1.00 39.77 ? 296 TRP B CA 1 -ATOM 4980 C C . TRP B 2 318 ? -24.548 -60.222 8.790 1.00 41.46 ? 296 TRP B C 1 -ATOM 4981 O O . TRP B 2 318 ? -25.228 -59.936 9.794 1.00 46.08 ? 296 TRP B O 1 -ATOM 4982 C CB . TRP B 2 318 ? -25.890 -60.405 6.734 1.00 44.16 ? 296 TRP B CB 1 -ATOM 4983 C CG . TRP B 2 318 ? -26.909 -60.846 7.755 1.00 49.40 ? 296 TRP B CG 1 -ATOM 4984 C CD1 . TRP B 2 318 ? -27.846 -60.046 8.375 1.00 43.46 ? 296 TRP B CD1 1 -ATOM 4985 C CD2 . TRP B 2 318 ? -27.055 -62.155 8.335 1.00 47.64 ? 296 TRP B CD2 1 -ATOM 4986 N NE1 . TRP B 2 318 ? -28.561 -60.775 9.290 1.00 48.39 ? 296 TRP B NE1 1 -ATOM 4987 C CE2 . TRP B 2 318 ? -28.102 -62.073 9.285 1.00 54.82 ? 296 TRP B CE2 1 -ATOM 4988 C CE3 . TRP B 2 318 ? -26.423 -63.390 8.129 1.00 57.60 ? 296 TRP B CE3 1 -ATOM 4989 C CZ2 . TRP B 2 318 ? -28.534 -63.178 10.021 1.00 47.71 ? 296 TRP B CZ2 1 -ATOM 4990 C CZ3 . TRP B 2 318 ? -26.859 -64.508 8.868 1.00 45.04 ? 296 TRP B CZ3 1 -ATOM 4991 C CH2 . TRP B 2 318 ? -27.901 -64.385 9.796 1.00 60.00 ? 296 TRP B CH2 1 -ATOM 4992 N N . ILE B 2 319 ? -23.565 -61.114 8.812 1.00 38.66 ? 297 ILE B N 1 -ATOM 4993 C CA . ILE B 2 319 ? -23.365 -61.998 9.969 1.00 43.34 ? 297 ILE B CA 1 -ATOM 4994 C C . ILE B 2 319 ? -23.295 -61.289 11.306 1.00 39.60 ? 297 ILE B C 1 -ATOM 4995 O O . ILE B 2 319 ? -23.970 -61.670 12.260 1.00 48.84 ? 297 ILE B O 1 -ATOM 4996 C CB . ILE B 2 319 ? -22.075 -62.852 9.807 1.00 47.64 ? 297 ILE B CB 1 -ATOM 4997 C CG1 . ILE B 2 319 ? -22.268 -63.884 8.705 1.00 44.04 ? 297 ILE B CG1 1 -ATOM 4998 C CG2 . ILE B 2 319 ? -21.719 -63.531 11.121 1.00 51.15 ? 297 ILE B CG2 1 -ATOM 4999 C CD1 . ILE B 2 319 ? -21.113 -64.843 8.564 1.00 53.74 ? 297 ILE B CD1 1 -ATOM 5000 N N . GLU B 2 320 ? -22.492 -60.241 11.383 1.00 40.62 ? 298 GLU B N 1 -ATOM 5001 C CA . GLU B 2 320 ? -22.358 -59.493 12.623 1.00 43.55 ? 298 GLU B CA 1 -ATOM 5002 C C . GLU B 2 320 ? -23.671 -58.841 13.038 1.00 39.96 ? 298 GLU B C 1 -ATOM 5003 O O . GLU B 2 320 ? -23.983 -58.731 14.220 1.00 44.14 ? 298 GLU B O 1 -ATOM 5004 C CB . GLU B 2 320 ? -21.288 -58.402 12.465 1.00 50.25 ? 298 GLU B CB 1 -ATOM 5005 C CG . GLU B 2 320 ? -20.843 -57.820 13.774 1.00 56.50 ? 298 GLU B CG 1 -ATOM 5006 C CD . GLU B 2 320 ? -20.137 -58.847 14.637 1.00 76.12 ? 298 GLU B CD 1 -ATOM 5007 O OE1 . GLU B 2 320 ? -19.254 -59.558 14.089 1.00 74.97 ? 298 GLU B OE1 1 -ATOM 5008 O OE2 . GLU B 2 320 ? -20.459 -58.938 15.852 1.00 67.76 ? 298 GLU B OE2 1 -ATOM 5009 N N . TYR B 2 321 ? -24.438 -58.395 12.055 1.00 35.51 ? 299 TYR B N 1 -ATOM 5010 C CA . TYR B 2 321 ? -25.757 -57.850 12.353 1.00 45.44 ? 299 TYR B CA 1 -ATOM 5011 C C . TYR B 2 321 ? -26.604 -58.957 12.969 1.00 46.95 ? 299 TYR B C 1 -ATOM 5012 O O . TYR B 2 321 ? -27.335 -58.737 13.936 1.00 45.43 ? 299 TYR B O 1 -ATOM 5013 C CB . TYR B 2 321 ? -26.430 -57.274 11.087 1.00 40.33 ? 299 TYR B CB 1 -ATOM 5014 C CG . TYR B 2 321 ? -25.820 -55.971 10.587 1.00 44.32 ? 299 TYR B CG 1 -ATOM 5015 C CD1 . TYR B 2 321 ? -26.273 -54.744 11.061 1.00 55.40 ? 299 TYR B CD1 1 -ATOM 5016 C CD2 . TYR B 2 321 ? -24.821 -55.966 9.629 1.00 46.35 ? 299 TYR B CD2 1 -ATOM 5017 C CE1 . TYR B 2 321 ? -25.733 -53.552 10.611 1.00 53.62 ? 299 TYR B CE1 1 -ATOM 5018 C CE2 . TYR B 2 321 ? -24.276 -54.772 9.170 1.00 51.31 ? 299 TYR B CE2 1 -ATOM 5019 C CZ . TYR B 2 321 ? -24.743 -53.572 9.670 1.00 46.31 ? 299 TYR B CZ 1 -ATOM 5020 O OH . TYR B 2 321 ? -24.219 -52.384 9.227 1.00 67.35 ? 299 TYR B OH 1 -ATOM 5021 N N . GLY B 2 322 ? -26.473 -60.163 12.419 1.00 45.19 ? 300 GLY B N 1 -ATOM 5022 C CA . GLY B 2 322 ? -27.274 -61.279 12.891 1.00 46.96 ? 300 GLY B CA 1 -ATOM 5023 C C . GLY B 2 322 ? -27.076 -61.479 14.362 1.00 47.25 ? 300 GLY B C 1 -ATOM 5024 O O . GLY B 2 322 ? -28.046 -61.644 15.096 1.00 48.42 ? 300 GLY B O 1 -ATOM 5025 N N . LYS B 2 323 ? -25.817 -61.384 14.797 1.00 54.98 ? 301 LYS B N 1 -ATOM 5026 C CA . LYS B 2 323 ? -25.427 -61.668 16.185 1.00 54.78 ? 301 LYS B CA 1 -ATOM 5027 C C . LYS B 2 323 ? -25.948 -60.654 17.211 1.00 55.81 ? 301 LYS B C 1 -ATOM 5028 O O . LYS B 2 323 ? -26.215 -60.987 18.363 1.00 64.88 ? 301 LYS B O 1 -ATOM 5029 C CB . LYS B 2 323 ? -23.899 -61.748 16.277 1.00 52.95 ? 301 LYS B CB 1 -ATOM 5030 C CG . LYS B 2 323 ? -23.309 -62.953 15.540 1.00 57.45 ? 301 LYS B CG 1 -ATOM 5031 C CD . LYS B 2 323 ? -21.835 -62.731 15.163 1.00 51.58 ? 301 LYS B CD 1 -ATOM 5032 C CE . LYS B 2 323 ? -20.959 -62.506 16.376 1.00 49.28 ? 301 LYS B CE 1 -ATOM 5033 N NZ . LYS B 2 323 ? -19.540 -62.271 15.973 1.00 62.99 ? 301 LYS B NZ 1 -ATOM 5034 N N . GLN B 2 324 ? -26.119 -59.415 16.792 1.00 57.57 ? 302 GLN B N 1 -ATOM 5035 C CA . GLN B 2 324 ? -26.459 -58.380 17.750 1.00 63.18 ? 302 GLN B CA 1 -ATOM 5036 C C . GLN B 2 324 ? -27.914 -57.995 17.671 1.00 60.40 ? 302 GLN B C 1 -ATOM 5037 O O . GLN B 2 324 ? -28.393 -57.187 18.470 1.00 66.10 ? 302 GLN B O 1 -ATOM 5038 C CB . GLN B 2 324 ? -25.583 -57.157 17.522 1.00 59.20 ? 302 GLN B CB 1 -ATOM 5039 C CG . GLN B 2 324 ? -24.122 -57.519 17.509 1.00 65.87 ? 302 GLN B CG 1 -ATOM 5040 C CD . GLN B 2 324 ? -23.235 -56.313 17.390 1.00 69.47 ? 302 GLN B CD 1 -ATOM 5041 O OE1 . GLN B 2 324 ? -23.706 -55.174 17.469 1.00 78.13 ? 302 GLN B OE1 1 -ATOM 5042 N NE2 . GLN B 2 324 ? -21.936 -56.550 17.215 1.00 66.55 ? 302 GLN B NE2 1 -ATOM 5043 N N . ALA B 2 325 ? -28.612 -58.561 16.696 1.00 52.54 ? 303 ALA B N 1 -ATOM 5044 C CA . ALA B 2 325 ? -29.997 -58.174 16.456 1.00 58.51 ? 303 ALA B CA 1 -ATOM 5045 C C . ALA B 2 325 ? -30.851 -58.367 17.704 1.00 63.63 ? 303 ALA B C 1 -ATOM 5046 O O . ALA B 2 325 ? -30.749 -59.387 18.392 1.00 56.59 ? 303 ALA B O 1 -ATOM 5047 C CB . ALA B 2 325 ? -30.571 -58.950 15.290 1.00 53.18 ? 303 ALA B CB 1 -ATOM 5048 N N . VAL B 2 326 ? -31.664 -57.360 18.008 1.00 53.79 ? 304 VAL B N 1 -ATOM 5049 C CA . VAL B 2 326 ? -32.632 -57.452 19.091 1.00 49.72 ? 304 VAL B CA 1 -ATOM 5050 C C . VAL B 2 326 ? -33.928 -58.041 18.520 1.00 56.26 ? 304 VAL B C 1 -ATOM 5051 O O . VAL B 2 326 ? -34.446 -57.550 17.504 1.00 58.60 ? 304 VAL B O 1 -ATOM 5052 C CB . VAL B 2 326 ? -32.896 -56.071 19.725 1.00 55.01 ? 304 VAL B CB 1 -ATOM 5053 C CG1 . VAL B 2 326 ? -33.740 -56.216 20.992 1.00 62.62 ? 304 VAL B CG1 1 -ATOM 5054 C CG2 . VAL B 2 326 ? -31.580 -55.386 20.023 1.00 46.62 ? 304 VAL B CG2 1 -ATOM 5055 N N . LEU B 2 327 ? -34.430 -59.108 19.138 1.00 55.84 ? 305 LEU B N 1 -ATOM 5056 C CA . LEU B 2 327 ? -35.616 -59.806 18.621 1.00 59.75 ? 305 LEU B CA 1 -ATOM 5057 C C . LEU B 2 327 ? -36.866 -59.567 19.487 1.00 48.15 ? 305 LEU B C 1 -ATOM 5058 O O . LEU B 2 327 ? -36.770 -59.124 20.631 1.00 58.02 ? 305 LEU B O 1 -ATOM 5059 C CB . LEU B 2 327 ? -35.329 -61.323 18.497 1.00 63.49 ? 305 LEU B CB 1 -ATOM 5060 N N . CYS B 2 328 ? -38.040 -59.864 18.939 1.00 62.80 ? 306 CYS B N 1 -ATOM 5061 C CA . CYS B 2 328 ? -39.294 -59.729 19.689 1.00 62.24 ? 306 CYS B CA 1 -ATOM 5062 C C . CYS B 2 328 ? -39.222 -60.543 20.995 1.00 72.29 ? 306 CYS B C 1 -ATOM 5063 O O . CYS B 2 328 ? -38.681 -61.654 21.006 1.00 59.16 ? 306 CYS B O 1 -ATOM 5064 C CB . CYS B 2 328 ? -40.478 -60.176 18.822 1.00 71.37 ? 306 CYS B CB 1 -ATOM 5065 S SG . CYS B 2 328 ? -42.124 -60.091 19.588 1.00 63.63 ? 306 CYS B SG 1 -ATOM 5066 N N . SER B 2 329 ? -39.716 -59.980 22.100 1.00 64.49 ? 307 SER B N 1 -ATOM 5067 C CA . SER B 2 329 ? -39.587 -60.647 23.401 1.00 67.37 ? 307 SER B CA 1 -ATOM 5068 C C . SER B 2 329 ? -40.915 -61.175 23.951 1.00 69.22 ? 307 SER B C 1 -ATOM 5069 O O . SER B 2 329 ? -40.950 -61.702 25.058 1.00 70.67 ? 307 SER B O 1 -ATOM 5070 C CB . SER B 2 329 ? -38.971 -59.702 24.443 1.00 69.57 ? 307 SER B CB 1 -ATOM 5071 O OG . SER B 2 329 ? -39.845 -58.629 24.761 1.00 71.26 ? 307 SER B OG 1 -ATOM 5072 N N . CYS B 2 330 ? -41.998 -61.036 23.186 1.00 70.76 ? 308 CYS B N 1 -ATOM 5073 C CA . CYS B 2 330 ? -43.346 -61.248 23.724 1.00 67.57 ? 308 CYS B CA 1 -ATOM 5074 C C . CYS B 2 330 ? -44.237 -62.242 22.951 1.00 70.87 ? 308 CYS B C 1 -ATOM 5075 O O . CYS B 2 330 ? -45.401 -62.427 23.310 1.00 75.91 ? 308 CYS B O 1 -ATOM 5076 C CB . CYS B 2 330 ? -44.075 -59.902 23.825 1.00 70.27 ? 308 CYS B CB 1 -ATOM 5077 S SG . CYS B 2 330 ? -44.630 -59.233 22.240 1.00 68.79 ? 308 CYS B SG 1 -ATOM 5078 N N . ARG B 2 331 ? -43.697 -62.916 21.937 1.00 74.60 ? 309 ARG B N 1 -ATOM 5079 C CA . ARG B 2 331 ? -44.509 -63.822 21.116 1.00 81.09 ? 309 ARG B CA 1 -ATOM 5080 C C . ARG B 2 331 ? -43.888 -65.206 20.923 1.00 92.22 ? 309 ARG B C 1 -ATOM 5081 O O . ARG B 2 331 ? -42.679 -65.388 21.080 1.00 91.27 ? 309 ARG B O 1 -ATOM 5082 C CB . ARG B 2 331 ? -44.775 -63.203 19.740 1.00 71.03 ? 309 ARG B CB 1 -ATOM 5083 C CG . ARG B 2 331 ? -45.884 -62.187 19.743 1.00 67.60 ? 309 ARG B CG 1 -ATOM 5084 C CD . ARG B 2 331 ? -46.204 -61.711 18.346 1.00 76.21 ? 309 ARG B CD 1 -ATOM 5085 N NE . ARG B 2 331 ? -47.074 -60.535 18.374 1.00 81.14 ? 309 ARG B NE 1 -ATOM 5086 C CZ . ARG B 2 331 ? -46.986 -59.534 17.506 1.00 80.61 ? 309 ARG B CZ 1 -ATOM 5087 N NH1 . ARG B 2 331 ? -46.067 -59.575 16.547 1.00 77.73 ? 309 ARG B NH1 1 -ATOM 5088 N NH2 . ARG B 2 331 ? -47.805 -58.492 17.595 1.00 79.62 ? 309 ARG B NH2 1 -ATOM 5089 N N . LYS B 2 332 ? -44.735 -66.169 20.558 1.00 94.42 ? 310 LYS B N 1 -ATOM 5090 C CA . LYS B 2 332 ? -44.336 -67.571 20.444 1.00 94.30 ? 310 LYS B CA 1 -ATOM 5091 C C . LYS B 2 332 ? -43.678 -67.921 19.109 1.00 92.64 ? 310 LYS B C 1 -ATOM 5092 O O . LYS B 2 332 ? -42.489 -68.239 19.060 1.00 86.36 ? 310 LYS B O 1 -ATOM 5093 C CB . LYS B 2 332 ? -45.560 -68.469 20.663 1.00 82.28 ? 310 LYS B CB 1 -ATOM 5094 N N . ASP B 2 333 ? -44.454 -67.860 18.034 1.00 92.29 ? 311 ASP B N 1 -ATOM 5095 C CA . ASP B 2 333 ? -43.986 -68.264 16.713 1.00 87.70 ? 311 ASP B CA 1 -ATOM 5096 C C . ASP B 2 333 ? -43.198 -67.163 15.987 1.00 94.86 ? 311 ASP B C 1 -ATOM 5097 O O . ASP B 2 333 ? -43.503 -66.839 14.838 1.00 96.85 ? 311 ASP B O 1 -ATOM 5098 C CB . ASP B 2 333 ? -45.173 -68.713 15.855 1.00 92.00 ? 311 ASP B CB 1 -ATOM 5099 N N . MET B 2 334 ? -42.194 -66.590 16.654 1.00 95.39 ? 312 MET B N 1 -ATOM 5100 C CA . MET B 2 334 ? -41.339 -65.564 16.039 1.00 88.54 ? 312 MET B CA 1 -ATOM 5101 C C . MET B 2 334 ? -40.024 -66.109 15.498 1.00 87.24 ? 312 MET B C 1 -ATOM 5102 O O . MET B 2 334 ? -39.390 -66.973 16.105 1.00 82.33 ? 312 MET B O 1 -ATOM 5103 C CB . MET B 2 334 ? -41.021 -64.439 17.031 1.00 78.97 ? 312 MET B CB 1 -ATOM 5104 C CG . MET B 2 334 ? -42.099 -63.383 17.214 1.00 80.69 ? 312 MET B CG 1 -ATOM 5105 S SD . MET B 2 334 ? -42.250 -62.342 15.742 1.00 116.83 ? 312 MET B SD 1 -ATOM 5106 C CE . MET B 2 334 ? -43.050 -60.856 16.369 1.00 71.15 ? 312 MET B CE 1 -ATOM 5107 N N . VAL B 2 335 ? -39.630 -65.572 14.346 1.00 82.30 ? 313 VAL B N 1 -ATOM 5108 C CA . VAL B 2 335 ? -38.421 -65.979 13.637 1.00 81.59 ? 313 VAL B CA 1 -ATOM 5109 C C . VAL B 2 335 ? -37.141 -65.658 14.415 1.00 80.45 ? 313 VAL B C 1 -ATOM 5110 O O . VAL B 2 335 ? -36.787 -64.494 14.601 1.00 73.28 ? 313 VAL B O 1 -ATOM 5111 C CB . VAL B 2 335 ? -38.339 -65.306 12.237 1.00 70.31 ? 313 VAL B CB 1 -ATOM 5112 C CG1 . VAL B 2 335 ? -37.028 -65.645 11.557 1.00 72.00 ? 313 VAL B CG1 1 -ATOM 5113 C CG2 . VAL B 2 335 ? -39.504 -65.738 11.370 1.00 73.23 ? 313 VAL B CG2 1 -ATOM 5114 N N . LYS B 2 336 ? -36.474 -66.714 14.877 1.00 75.74 ? 314 LYS B N 1 -ATOM 5115 C CA . LYS B 2 336 ? -35.158 -66.637 15.501 1.00 65.38 ? 314 LYS B CA 1 -ATOM 5116 C C . LYS B 2 336 ? -34.268 -67.579 14.718 1.00 74.01 ? 314 LYS B C 1 -ATOM 5117 O O . LYS B 2 336 ? -34.695 -68.658 14.323 1.00 69.47 ? 314 LYS B O 1 -ATOM 5118 C CB . LYS B 2 336 ? -35.188 -67.029 16.982 1.00 56.38 ? 314 LYS B CB 1 -ATOM 5119 N N . ILE B 2 337 ? -33.048 -67.153 14.435 1.00 74.31 ? 315 ILE B N 1 -ATOM 5120 C CA . ILE B 2 337 ? -32.149 -67.990 13.661 1.00 61.20 ? 315 ILE B CA 1 -ATOM 5121 C C . ILE B 2 337 ? -30.892 -68.218 14.480 1.00 68.45 ? 315 ILE B C 1 -ATOM 5122 O O . ILE B 2 337 ? -30.341 -67.280 15.065 1.00 62.98 ? 315 ILE B O 1 -ATOM 5123 C CB . ILE B 2 337 ? -31.799 -67.349 12.306 1.00 70.62 ? 315 ILE B CB 1 -ATOM 5124 C CG1 . ILE B 2 337 ? -33.039 -67.317 11.411 1.00 65.18 ? 315 ILE B CG1 1 -ATOM 5125 C CG2 . ILE B 2 337 ? -30.590 -68.049 11.648 1.00 59.77 ? 315 ILE B CG2 1 -ATOM 5126 C CD1 . ILE B 2 337 ? -32.815 -66.652 10.080 1.00 65.90 ? 315 ILE B CD1 1 -ATOM 5127 N N . SER B 2 338 ? -30.463 -69.471 14.554 1.00 67.13 ? 316 SER B N 1 -ATOM 5128 C CA . SER B 2 338 ? -29.226 -69.796 15.240 1.00 63.45 ? 316 SER B CA 1 -ATOM 5129 C C . SER B 2 338 ? -28.045 -69.256 14.458 1.00 50.30 ? 316 SER B C 1 -ATOM 5130 O O . SER B 2 338 ? -27.850 -69.628 13.295 1.00 56.87 ? 316 SER B O 1 -ATOM 5131 C CB . SER B 2 338 ? -29.079 -71.304 15.418 1.00 54.31 ? 316 SER B CB 1 -ATOM 5132 O OG . SER B 2 338 ? -27.860 -71.597 16.074 1.00 68.63 ? 316 SER B OG 1 -ATOM 5133 N N . MET B 2 339 ? -27.256 -68.391 15.096 1.00 51.39 ? 317 MET B N 1 -ATOM 5134 C CA . MET B 2 339 ? -26.076 -67.804 14.457 1.00 54.90 ? 317 MET B CA 1 -ATOM 5135 C C . MET B 2 339 ? -24.837 -68.715 14.536 1.00 55.70 ? 317 MET B C 1 -ATOM 5136 O O . MET B 2 339 ? -23.820 -68.476 13.876 1.00 52.44 ? 317 MET B O 1 -ATOM 5137 C CB . MET B 2 339 ? -25.753 -66.466 15.115 1.00 48.31 ? 317 MET B CB 1 -ATOM 5138 C CG . MET B 2 339 ? -26.846 -65.418 14.931 1.00 63.78 ? 317 MET B CG 1 -ATOM 5139 S SD . MET B 2 339 ? -27.129 -65.128 13.178 1.00 59.67 ? 317 MET B SD 1 -ATOM 5140 C CE . MET B 2 339 ? -25.569 -64.353 12.734 1.00 40.25 ? 317 MET B CE 1 -ATOM 5141 N N . ASP B 2 340 ? -24.952 -69.762 15.338 1.00 55.52 ? 318 ASP B N 1 -ATOM 5142 C CA . ASP B 2 340 ? -23.827 -70.619 15.675 1.00 60.84 ? 318 ASP B CA 1 -ATOM 5143 C C . ASP B 2 340 ? -23.086 -71.085 14.409 1.00 57.98 ? 318 ASP B C 1 -ATOM 5144 O O . ASP B 2 340 ? -21.899 -70.778 14.223 1.00 56.03 ? 318 ASP B O 1 -ATOM 5145 C CB . ASP B 2 340 ? -24.339 -71.784 16.515 1.00 57.95 ? 318 ASP B CB 1 -ATOM 5146 C CG . ASP B 2 340 ? -23.284 -72.349 17.431 1.00 73.21 ? 318 ASP B CG 1 -ATOM 5147 O OD1 . ASP B 2 340 ? -22.536 -73.250 16.986 1.00 72.05 ? 318 ASP B OD1 1 -ATOM 5148 O OD2 . ASP B 2 340 ? -23.198 -71.875 18.589 1.00 72.07 ? 318 ASP B OD2 1 -ATOM 5149 N N . VAL B 2 341 ? -23.811 -71.718 13.497 1.00 49.72 ? 319 VAL B N 1 -ATOM 5150 C CA . VAL B 2 341 ? -23.242 -72.157 12.223 1.00 49.88 ? 319 VAL B CA 1 -ATOM 5151 C C . VAL B 2 341 ? -22.527 -71.063 11.408 1.00 53.28 ? 319 VAL B C 1 -ATOM 5152 O O . VAL B 2 341 ? -21.482 -71.327 10.797 1.00 47.68 ? 319 VAL B O 1 -ATOM 5153 C CB . VAL B 2 341 ? -24.353 -72.816 11.338 1.00 52.22 ? 319 VAL B CB 1 -ATOM 5154 C CG1 . VAL B 2 341 ? -25.499 -71.847 11.030 1.00 53.11 ? 319 VAL B CG1 1 -ATOM 5155 C CG2 . VAL B 2 341 ? -23.756 -73.406 10.070 1.00 48.18 ? 319 VAL B CG2 1 -ATOM 5156 N N . PHE B 2 342 ? -23.081 -69.848 11.377 1.00 60.24 ? 320 PHE B N 1 -ATOM 5157 C CA . PHE B 2 342 ? -22.472 -68.763 10.595 1.00 51.51 ? 320 PHE B CA 1 -ATOM 5158 C C . PHE B 2 342 ? -21.156 -68.330 11.215 1.00 47.77 ? 320 PHE B C 1 -ATOM 5159 O O . PHE B 2 342 ? -20.159 -68.121 10.517 1.00 51.05 ? 320 PHE B O 1 -ATOM 5160 C CB . PHE B 2 342 ? -23.417 -67.563 10.475 1.00 49.55 ? 320 PHE B CB 1 -ATOM 5161 C CG . PHE B 2 342 ? -24.582 -67.816 9.577 1.00 44.54 ? 320 PHE B CG 1 -ATOM 5162 C CD1 . PHE B 2 342 ? -24.444 -67.699 8.208 1.00 42.36 ? 320 PHE B CD1 1 -ATOM 5163 C CD2 . PHE B 2 342 ? -25.800 -68.217 10.100 1.00 47.47 ? 320 PHE B CD2 1 -ATOM 5164 C CE1 . PHE B 2 342 ? -25.506 -67.969 7.372 1.00 53.27 ? 320 PHE B CE1 1 -ATOM 5165 C CE2 . PHE B 2 342 ? -26.870 -68.485 9.272 1.00 49.27 ? 320 PHE B CE2 1 -ATOM 5166 C CZ . PHE B 2 342 ? -26.728 -68.358 7.905 1.00 46.57 ? 320 PHE B CZ 1 -ATOM 5167 N N . VAL B 2 343 ? -21.145 -68.235 12.534 1.00 53.31 ? 321 VAL B N 1 -ATOM 5168 C CA . VAL B 2 343 ? -19.962 -67.771 13.228 1.00 53.32 ? 321 VAL B CA 1 -ATOM 5169 C C . VAL B 2 343 ? -18.854 -68.810 13.124 1.00 57.93 ? 321 VAL B C 1 -ATOM 5170 O O . VAL B 2 343 ? -17.683 -68.475 12.848 1.00 48.45 ? 321 VAL B O 1 -ATOM 5171 C CB . VAL B 2 343 ? -20.285 -67.474 14.699 1.00 50.16 ? 321 VAL B CB 1 -ATOM 5172 C CG1 . VAL B 2 343 ? -19.039 -66.975 15.450 1.00 52.19 ? 321 VAL B CG1 1 -ATOM 5173 C CG2 . VAL B 2 343 ? -21.441 -66.453 14.778 1.00 47.70 ? 321 VAL B CG2 1 -ATOM 5174 N N . ARG B 2 344 ? -19.255 -70.072 13.271 1.00 53.12 ? 322 ARG B N 1 -ATOM 5175 C CA . ARG B 2 344 ? -18.333 -71.207 13.234 1.00 52.08 ? 322 ARG B CA 1 -ATOM 5176 C C . ARG B 2 344 ? -17.638 -71.296 11.890 1.00 47.46 ? 322 ARG B C 1 -ATOM 5177 O O . ARG B 2 344 ? -16.430 -71.484 11.842 1.00 64.47 ? 322 ARG B O 1 -ATOM 5178 C CB . ARG B 2 344 ? -19.079 -72.512 13.530 1.00 53.96 ? 322 ARG B CB 1 -ATOM 5179 C CG . ARG B 2 344 ? -18.204 -73.738 13.492 1.00 58.38 ? 322 ARG B CG 1 -ATOM 5180 C CD . ARG B 2 344 ? -19.037 -75.003 13.689 1.00 62.55 ? 322 ARG B CD 1 -ATOM 5181 N NE . ARG B 2 344 ? -19.763 -74.977 14.954 1.00 70.09 ? 322 ARG B NE 1 -ATOM 5182 C CZ . ARG B 2 344 ? -20.566 -75.952 15.373 1.00 87.47 ? 322 ARG B CZ 1 -ATOM 5183 N NH1 . ARG B 2 344 ? -20.750 -77.032 14.619 1.00 88.66 ? 322 ARG B NH1 1 -ATOM 5184 N NH2 . ARG B 2 344 ? -21.193 -75.847 16.543 1.00 81.76 ? 322 ARG B NH2 1 -ATOM 5185 N N . LYS B 2 345 ? -18.395 -71.124 10.804 1.00 52.27 ? 323 LYS B N 1 -ATOM 5186 C CA . LYS B 2 345 ? -17.852 -71.249 9.446 1.00 48.30 ? 323 LYS B CA 1 -ATOM 5187 C C . LYS B 2 345 ? -17.155 -69.981 8.897 1.00 61.29 ? 323 LYS B C 1 -ATOM 5188 O O . LYS B 2 345 ? -16.185 -70.093 8.146 1.00 65.58 ? 323 LYS B O 1 -ATOM 5189 C CB . LYS B 2 345 ? -18.954 -71.673 8.471 1.00 49.73 ? 323 LYS B CB 1 -ATOM 5190 N N . PHE B 2 346 ? -17.633 -68.784 9.247 1.00 64.26 ? 324 PHE B N 1 -ATOM 5191 C CA . PHE B 2 346 ? -17.091 -67.550 8.630 1.00 53.94 ? 324 PHE B CA 1 -ATOM 5192 C C . PHE B 2 346 ? -16.251 -66.695 9.562 1.00 48.72 ? 324 PHE B C 1 -ATOM 5193 O O . PHE B 2 346 ? -15.494 -65.848 9.102 1.00 56.15 ? 324 PHE B O 1 -ATOM 5194 C CB . PHE B 2 346 ? -18.224 -66.701 8.057 1.00 51.75 ? 324 PHE B CB 1 -ATOM 5195 C CG . PHE B 2 346 ? -18.998 -67.387 6.970 1.00 50.72 ? 324 PHE B CG 1 -ATOM 5196 C CD1 . PHE B 2 346 ? -18.553 -67.348 5.654 1.00 61.18 ? 324 PHE B CD1 1 -ATOM 5197 C CD2 . PHE B 2 346 ? -20.141 -68.115 7.267 1.00 60.80 ? 324 PHE B CD2 1 -ATOM 5198 C CE1 . PHE B 2 346 ? -19.247 -67.996 4.644 1.00 60.52 ? 324 PHE B CE1 1 -ATOM 5199 C CE2 . PHE B 2 346 ? -20.856 -68.774 6.257 1.00 51.59 ? 324 PHE B CE2 1 -ATOM 5200 C CZ . PHE B 2 346 ? -20.406 -68.714 4.946 1.00 53.02 ? 324 PHE B CZ 1 -ATOM 5201 N N . GLN B 2 347 ? -16.371 -66.922 10.865 1.00 57.29 ? 325 GLN B N 1 -ATOM 5202 C CA . GLN B 2 347 ? -15.528 -66.242 11.843 1.00 45.27 ? 325 GLN B CA 1 -ATOM 5203 C C . GLN B 2 347 ? -14.936 -67.233 12.862 1.00 55.77 ? 325 GLN B C 1 -ATOM 5204 O O . GLN B 2 347 ? -15.158 -67.095 14.066 1.00 54.47 ? 325 GLN B O 1 -ATOM 5205 C CB . GLN B 2 347 ? -16.314 -65.153 12.580 1.00 56.89 ? 325 GLN B CB 1 -ATOM 5206 C CG . GLN B 2 347 ? -16.932 -64.092 11.664 1.00 61.12 ? 325 GLN B CG 1 -ATOM 5207 C CD . GLN B 2 347 ? -17.746 -63.041 12.415 1.00 65.37 ? 325 GLN B CD 1 -ATOM 5208 O OE1 . GLN B 2 347 ? -18.072 -63.205 13.593 1.00 63.59 ? 325 GLN B OE1 1 -ATOM 5209 N NE2 . GLN B 2 347 ? -18.060 -61.937 11.732 1.00 78.88 ? 325 GLN B NE2 1 -ATOM 5210 N N . PRO B 2 348 ? -14.190 -68.249 12.384 1.00 47.91 ? 326 PRO B N 1 -ATOM 5211 C CA . PRO B 2 348 ? -13.716 -69.280 13.321 1.00 53.23 ? 326 PRO B CA 1 -ATOM 5212 C C . PRO B 2 348 ? -12.784 -68.713 14.415 1.00 63.14 ? 326 PRO B C 1 -ATOM 5213 O O . PRO B 2 348 ? -12.732 -69.216 15.551 1.00 48.84 ? 326 PRO B O 1 -ATOM 5214 C CB . PRO B 2 348 ? -12.979 -70.273 12.407 1.00 52.08 ? 326 PRO B CB 1 -ATOM 5215 C CG . PRO B 2 348 ? -12.615 -69.486 11.196 1.00 57.41 ? 326 PRO B CG 1 -ATOM 5216 C CD . PRO B 2 348 ? -13.740 -68.497 11.007 1.00 46.55 ? 326 PRO B CD 1 -ATOM 5217 N N . GLU B 2 349 ? -12.101 -67.620 14.088 1.00 54.92 ? 327 GLU B N 1 -ATOM 5218 C CA . GLU B 2 349 ? -11.175 -67.001 15.021 1.00 48.93 ? 327 GLU B CA 1 -ATOM 5219 C C . GLU B 2 349 ? -11.901 -66.363 16.205 1.00 56.22 ? 327 GLU B C 1 -ATOM 5220 O O . GLU B 2 349 ? -11.313 -66.184 17.271 1.00 58.98 ? 327 GLU B O 1 -ATOM 5221 C CB . GLU B 2 349 ? -10.316 -65.951 14.294 1.00 64.48 ? 327 GLU B CB 1 -ATOM 5222 C CG . GLU B 2 349 ? -11.075 -64.690 13.824 1.00 64.41 ? 327 GLU B CG 1 -ATOM 5223 C CD . GLU B 2 349 ? -12.044 -64.905 12.641 1.00 70.97 ? 327 GLU B CD 1 -ATOM 5224 O OE1 . GLU B 2 349 ? -12.171 -66.037 12.107 1.00 59.06 ? 327 GLU B OE1 1 -ATOM 5225 O OE2 . GLU B 2 349 ? -12.711 -63.913 12.260 1.00 82.28 ? 327 GLU B OE2 1 -ATOM 5226 N N A ARG B 2 350 ? -13.175 -66.019 16.004 0.53 54.96 ? 328 ARG B N 1 -ATOM 5227 N N B ARG B 2 350 ? -13.176 -66.034 16.031 0.47 54.95 ? 328 ARG B N 1 -ATOM 5228 C CA A ARG B 2 350 ? -13.975 -65.344 17.028 0.53 58.83 ? 328 ARG B CA 1 -ATOM 5229 C CA B ARG B 2 350 ? -13.918 -65.376 17.102 0.47 58.83 ? 328 ARG B CA 1 -ATOM 5230 C C A ARG B 2 350 ? -14.953 -66.272 17.745 0.53 56.80 ? 328 ARG B C 1 -ATOM 5231 C C B ARG B 2 350 ? -14.865 -66.325 17.824 0.47 56.78 ? 328 ARG B C 1 -ATOM 5232 O O A ARG B 2 350 ? -15.526 -65.901 18.770 0.53 55.47 ? 328 ARG B O 1 -ATOM 5233 O O B ARG B 2 350 ? -15.343 -66.010 18.916 0.47 55.40 ? 328 ARG B O 1 -ATOM 5234 C CB A ARG B 2 350 ? -14.793 -64.210 16.391 0.53 62.03 ? 328 ARG B CB 1 -ATOM 5235 C CB B ARG B 2 350 ? -14.708 -64.183 16.556 0.47 61.92 ? 328 ARG B CB 1 -ATOM 5236 C CG A ARG B 2 350 ? -14.043 -62.939 16.001 0.53 64.52 ? 328 ARG B CG 1 -ATOM 5237 C CG B ARG B 2 350 ? -14.052 -63.497 15.369 0.47 63.42 ? 328 ARG B CG 1 -ATOM 5238 C CD A ARG B 2 350 ? -15.033 -61.889 15.479 0.53 63.85 ? 328 ARG B CD 1 -ATOM 5239 C CD B ARG B 2 350 ? -14.330 -62.003 15.354 0.47 64.40 ? 328 ARG B CD 1 -ATOM 5240 N NE A ARG B 2 350 ? -14.412 -60.597 15.182 0.53 71.97 ? 328 ARG B NE 1 -ATOM 5241 N NE B ARG B 2 350 ? -13.751 -61.325 16.513 0.47 62.68 ? 328 ARG B NE 1 -ATOM 5242 C CZ A ARG B 2 350 ? -15.038 -59.581 14.587 0.53 68.99 ? 328 ARG B CZ 1 -ATOM 5243 C CZ B ARG B 2 350 ? -14.430 -60.514 17.317 0.47 67.91 ? 328 ARG B CZ 1 -ATOM 5244 N NH1 A ARG B 2 350 ? -16.307 -59.703 14.209 0.53 67.66 ? 328 ARG B NH1 1 -ATOM 5245 N NH1 B ARG B 2 350 ? -15.712 -60.274 17.081 0.47 71.92 ? 328 ARG B NH1 1 -ATOM 5246 N NH2 A ARG B 2 350 ? -14.395 -58.443 14.364 0.53 59.18 ? 328 ARG B NH2 1 -ATOM 5247 N NH2 B ARG B 2 350 ? -13.831 -59.935 18.347 0.47 65.47 ? 328 ARG B NH2 1 -ATOM 5248 N N . TYR B 2 351 ? -15.129 -67.480 17.219 1.00 55.27 ? 329 TYR B N 1 -ATOM 5249 C CA . TYR B 2 351 ? -16.157 -68.398 17.732 1.00 52.87 ? 329 TYR B CA 1 -ATOM 5250 C C . TYR B 2 351 ? -16.104 -68.661 19.229 1.00 51.59 ? 329 TYR B C 1 -ATOM 5251 O O . TYR B 2 351 ? -17.113 -68.532 19.920 1.00 63.11 ? 329 TYR B O 1 -ATOM 5252 C CB . TYR B 2 351 ? -16.103 -69.728 16.992 1.00 56.09 ? 329 TYR B CB 1 -ATOM 5253 C CG . TYR B 2 351 ? -17.227 -70.644 17.396 1.00 62.43 ? 329 TYR B CG 1 -ATOM 5254 C CD1 . TYR B 2 351 ? -18.489 -70.476 16.864 1.00 59.12 ? 329 TYR B CD1 1 -ATOM 5255 C CD2 . TYR B 2 351 ? -17.032 -71.670 18.310 1.00 60.11 ? 329 TYR B CD2 1 -ATOM 5256 C CE1 . TYR B 2 351 ? -19.528 -71.304 17.218 1.00 68.97 ? 329 TYR B CE1 1 -ATOM 5257 C CE2 . TYR B 2 351 ? -18.068 -72.503 18.673 1.00 71.54 ? 329 TYR B CE2 1 -ATOM 5258 C CZ . TYR B 2 351 ? -19.313 -72.314 18.121 1.00 67.94 ? 329 TYR B CZ 1 -ATOM 5259 O OH . TYR B 2 351 ? -20.353 -73.133 18.465 1.00 72.55 ? 329 TYR B OH 1 -ATOM 5260 N N . LYS B 2 352 ? -14.926 -68.965 19.748 1.00 55.83 ? 330 LYS B N 1 -ATOM 5261 C CA . LYS B 2 352 ? -14.805 -69.291 21.165 1.00 58.78 ? 330 LYS B CA 1 -ATOM 5262 C C . LYS B 2 352 ? -15.055 -68.069 22.060 1.00 57.70 ? 330 LYS B C 1 -ATOM 5263 O O . LYS B 2 352 ? -15.684 -68.182 23.109 1.00 58.99 ? 330 LYS B O 1 -ATOM 5264 C CB . LYS B 2 352 ? -13.420 -69.894 21.451 1.00 59.38 ? 330 LYS B CB 1 -ATOM 5265 C CG . LYS B 2 352 ? -13.205 -70.342 22.891 1.00 66.02 ? 330 LYS B CG 1 -ATOM 5266 C CD . LYS B 2 352 ? -11.836 -71.029 23.108 1.00 62.98 ? 330 LYS B CD 1 -ATOM 5267 C CE . LYS B 2 352 ? -11.785 -71.645 24.508 1.00 67.26 ? 330 LYS B CE 1 -ATOM 5268 N NZ . LYS B 2 352 ? -10.442 -72.153 24.893 1.00 86.78 ? 330 LYS B NZ 1 -ATOM 5269 N N . LEU B 2 353 ? -14.588 -66.899 21.641 1.00 55.93 ? 331 LEU B N 1 -ATOM 5270 C CA . LEU B 2 353 ? -14.859 -65.683 22.400 1.00 63.05 ? 331 LEU B CA 1 -ATOM 5271 C C . LEU B 2 353 ? -16.360 -65.380 22.366 1.00 55.12 ? 331 LEU B C 1 -ATOM 5272 O O . LEU B 2 353 ? -16.945 -65.029 23.379 1.00 58.45 ? 331 LEU B O 1 -ATOM 5273 C CB . LEU B 2 353 ? -14.042 -64.498 21.858 1.00 64.14 ? 331 LEU B CB 1 -ATOM 5274 N N . TRP B 2 354 ? -16.986 -65.558 21.205 1.00 62.63 ? 332 TRP B N 1 -ATOM 5275 C CA . TRP B 2 354 ? -18.415 -65.264 21.047 1.00 63.12 ? 332 TRP B CA 1 -ATOM 5276 C C . TRP B 2 354 ? -19.254 -66.187 21.914 1.00 68.23 ? 332 TRP B C 1 -ATOM 5277 O O . TRP B 2 354 ? -20.096 -65.725 22.694 1.00 68.06 ? 332 TRP B O 1 -ATOM 5278 C CB . TRP B 2 354 ? -18.855 -65.402 19.580 1.00 49.38 ? 332 TRP B CB 1 -ATOM 5279 C CG . TRP B 2 354 ? -20.353 -65.297 19.382 1.00 62.08 ? 332 TRP B CG 1 -ATOM 5280 C CD1 . TRP B 2 354 ? -21.118 -64.166 19.501 1.00 63.27 ? 332 TRP B CD1 1 -ATOM 5281 C CD2 . TRP B 2 354 ? -21.258 -66.350 19.010 1.00 62.98 ? 332 TRP B CD2 1 -ATOM 5282 N NE1 . TRP B 2 354 ? -22.434 -64.455 19.241 1.00 60.44 ? 332 TRP B NE1 1 -ATOM 5283 C CE2 . TRP B 2 354 ? -22.551 -65.784 18.934 1.00 52.83 ? 332 TRP B CE2 1 -ATOM 5284 C CE3 . TRP B 2 354 ? -21.105 -67.716 18.746 1.00 61.52 ? 332 TRP B CE3 1 -ATOM 5285 C CZ2 . TRP B 2 354 ? -23.680 -66.534 18.607 1.00 45.00 ? 332 TRP B CZ2 1 -ATOM 5286 C CZ3 . TRP B 2 354 ? -22.228 -68.458 18.410 1.00 60.30 ? 332 TRP B CZ3 1 -ATOM 5287 C CH2 . TRP B 2 354 ? -23.499 -67.864 18.346 1.00 60.47 ? 332 TRP B CH2 1 -ATOM 5288 N N . LYS B 2 355 ? -18.984 -67.489 21.803 1.00 73.70 ? 333 LYS B N 1 -ATOM 5289 C CA . LYS B 2 355 ? -19.759 -68.509 22.502 1.00 65.64 ? 333 LYS B CA 1 -ATOM 5290 C C . LYS B 2 355 ? -19.650 -68.292 24.005 1.00 63.42 ? 333 LYS B C 1 -ATOM 5291 O O . LYS B 2 355 ? -20.542 -68.682 24.762 1.00 72.44 ? 333 LYS B O 1 -ATOM 5292 C CB . LYS B 2 355 ? -19.281 -69.913 22.110 1.00 69.90 ? 333 LYS B CB 1 -ATOM 5293 C CG . LYS B 2 355 ? -20.371 -70.983 22.140 1.00 79.30 ? 333 LYS B CG 1 -ATOM 5294 N N . ALA B 2 356 ? -18.583 -67.611 24.422 1.00 59.42 ? 334 ALA B N 1 -ATOM 5295 C CA . ALA B 2 356 ? -18.392 -67.261 25.827 1.00 67.79 ? 334 ALA B CA 1 -ATOM 5296 C C . ALA B 2 356 ? -18.991 -65.896 26.175 1.00 74.45 ? 334 ALA B C 1 -ATOM 5297 O O . ALA B 2 356 ? -18.895 -65.445 27.322 1.00 75.11 ? 334 ALA B O 1 -ATOM 5298 C CB . ALA B 2 356 ? -16.904 -67.274 26.167 1.00 64.09 ? 334 ALA B CB 1 -ATOM 5299 N N . GLY B 2 357 ? -19.610 -65.243 25.192 1.00 77.78 ? 335 GLY B N 1 -ATOM 5300 C CA . GLY B 2 357 ? -20.246 -63.948 25.408 1.00 79.58 ? 335 GLY B CA 1 -ATOM 5301 C C . GLY B 2 357 ? -19.278 -62.848 25.815 1.00 71.00 ? 335 GLY B C 1 -ATOM 5302 O O . GLY B 2 357 ? -19.614 -61.978 26.604 1.00 72.54 ? 335 GLY B O 1 -ATOM 5303 N N . LYS B 2 358 ? -18.070 -62.887 25.271 1.00 71.31 ? 336 LYS B N 1 -ATOM 5304 C CA . LYS B 2 358 ? -17.073 -61.872 25.568 1.00 76.90 ? 336 LYS B CA 1 -ATOM 5305 C C . LYS B 2 358 ? -16.660 -61.153 24.285 1.00 74.02 ? 336 LYS B C 1 -ATOM 5306 O O . LYS B 2 358 ? -15.688 -60.394 24.265 1.00 72.88 ? 336 LYS B O 1 -ATOM 5307 C CB . LYS B 2 358 ? -15.857 -62.502 26.257 1.00 77.62 ? 336 LYS B CB 1 -ATOM 5308 N N . ASP B 2 359 ? -17.414 -61.401 23.218 1.00 64.48 ? 337 ASP B N 1 -ATOM 5309 C CA . ASP B 2 359 ? -17.208 -60.735 21.939 1.00 68.41 ? 337 ASP B CA 1 -ATOM 5310 C C . ASP B 2 359 ? -17.914 -59.374 21.894 1.00 79.22 ? 337 ASP B C 1 -ATOM 5311 O O . ASP B 2 359 ? -19.090 -59.299 21.532 1.00 76.47 ? 337 ASP B O 1 -ATOM 5312 C CB . ASP B 2 359 ? -17.716 -61.611 20.800 1.00 65.95 ? 337 ASP B CB 1 -ATOM 5313 C CG . ASP B 2 359 ? -17.439 -61.008 19.433 1.00 80.05 ? 337 ASP B CG 1 -ATOM 5314 O OD1 . ASP B 2 359 ? -16.568 -60.111 19.342 1.00 83.77 ? 337 ASP B OD1 1 -ATOM 5315 O OD2 . ASP B 2 359 ? -18.099 -61.419 18.448 1.00 78.05 ? 337 ASP B OD2 1 -ATOM 5316 N N . ASN B 2 360 ? -17.196 -58.309 22.255 1.00 73.82 ? 338 ASN B N 1 -ATOM 5317 C CA . ASN B 2 360 ? -17.782 -56.975 22.332 1.00 76.88 ? 338 ASN B CA 1 -ATOM 5318 C C . ASN B 2 360 ? -17.531 -56.131 21.068 1.00 79.85 ? 338 ASN B C 1 -ATOM 5319 O O . ASN B 2 360 ? -17.326 -54.918 21.153 1.00 86.26 ? 338 ASN B O 1 -ATOM 5320 C CB . ASN B 2 360 ? -17.252 -56.246 23.571 1.00 69.81 ? 338 ASN B CB 1 -ATOM 5321 N N . THR B 2 361 ? -17.568 -56.788 19.907 1.00 66.63 ? 339 THR B N 1 -ATOM 5322 C CA . THR B 2 361 ? -17.442 -56.156 18.588 1.00 60.41 ? 339 THR B CA 1 -ATOM 5323 C C . THR B 2 361 ? -18.483 -55.038 18.371 1.00 72.45 ? 339 THR B C 1 -ATOM 5324 O O . THR B 2 361 ? -19.583 -55.083 18.933 1.00 77.33 ? 339 THR B O 1 -ATOM 5325 C CB . THR B 2 361 ? -17.572 -57.238 17.467 1.00 71.50 ? 339 THR B CB 1 -ATOM 5326 O OG1 . THR B 2 361 ? -16.643 -58.299 17.719 1.00 81.50 ? 339 THR B OG1 1 -ATOM 5327 C CG2 . THR B 2 361 ? -17.299 -56.676 16.073 1.00 65.51 ? 339 THR B CG2 1 -ATOM 5328 N N . VAL B 2 362 ? -18.131 -54.025 17.576 1.00 73.05 ? 340 VAL B N 1 -ATOM 5329 C CA . VAL B 2 362 ? -19.039 -52.899 17.303 1.00 70.98 ? 340 VAL B CA 1 -ATOM 5330 C C . VAL B 2 362 ? -19.260 -52.713 15.808 1.00 64.47 ? 340 VAL B C 1 -ATOM 5331 O O . VAL B 2 362 ? -18.307 -52.581 15.051 1.00 67.26 ? 340 VAL B O 1 -ATOM 5332 C CB . VAL B 2 362 ? -18.501 -51.572 17.906 1.00 63.82 ? 340 VAL B CB 1 -ATOM 5333 C CG1 . VAL B 2 362 ? -19.259 -50.369 17.355 1.00 58.63 ? 340 VAL B CG1 1 -ATOM 5334 C CG2 . VAL B 2 362 ? -18.582 -51.617 19.420 1.00 67.10 ? 340 VAL B CG2 1 -ATOM 5335 N N . ILE B 2 363 ? -20.518 -52.683 15.381 1.00 69.68 ? 341 ILE B N 1 -ATOM 5336 C CA . ILE B 2 363 ? -20.810 -52.600 13.952 1.00 70.13 ? 341 ILE B CA 1 -ATOM 5337 C C . ILE B 2 363 ? -20.648 -51.194 13.392 1.00 63.22 ? 341 ILE B C 1 -ATOM 5338 O O . ILE B 2 363 ? -21.127 -50.224 13.982 1.00 63.14 ? 341 ILE B O 1 -ATOM 5339 C CB . ILE B 2 363 ? -22.232 -53.096 13.648 1.00 59.04 ? 341 ILE B CB 1 -ATOM 5340 C CG1 . ILE B 2 363 ? -22.311 -54.585 13.951 1.00 66.83 ? 341 ILE B CG1 1 -ATOM 5341 C CG2 . ILE B 2 363 ? -22.548 -52.910 12.186 1.00 66.14 ? 341 ILE B CG2 1 -ATOM 5342 C CD1 . ILE B 2 363 ? -23.581 -55.266 13.479 1.00 56.06 ? 341 ILE B CD1 1 -ATOM 5343 N N . ASP B 2 364 ? -19.976 -51.103 12.244 1.00 70.70 ? 342 ASP B N 1 -ATOM 5344 C CA . ASP B 2 364 ? -19.856 -49.854 11.497 1.00 61.38 ? 342 ASP B CA 1 -ATOM 5345 C C . ASP B 2 364 ? -20.652 -49.909 10.194 1.00 63.32 ? 342 ASP B C 1 -ATOM 5346 O O . ASP B 2 364 ? -20.251 -50.566 9.225 1.00 57.29 ? 342 ASP B O 1 -ATOM 5347 C CB . ASP B 2 364 ? -18.388 -49.554 11.197 1.00 65.92 ? 342 ASP B CB 1 -ATOM 5348 C CG . ASP B 2 364 ? -18.221 -48.430 10.190 1.00 68.64 ? 342 ASP B CG 1 -ATOM 5349 O OD1 . ASP B 2 364 ? -19.020 -47.468 10.213 1.00 71.35 ? 342 ASP B OD1 1 -ATOM 5350 O OD2 . ASP B 2 364 ? -17.312 -48.530 9.345 1.00 75.68 ? 342 ASP B OD2 1 -ATOM 5351 N N . HIS B 2 365 ? -21.755 -49.168 10.170 1.00 64.56 ? 343 HIS B N 1 -ATOM 5352 C CA . HIS B 2 365 ? -22.751 -49.263 9.111 1.00 53.77 ? 343 HIS B CA 1 -ATOM 5353 C C . HIS B 2 365 ? -22.306 -48.724 7.753 1.00 61.70 ? 343 HIS B C 1 -ATOM 5354 O O . HIS B 2 365 ? -22.983 -48.962 6.749 1.00 62.94 ? 343 HIS B O 1 -ATOM 5355 C CB . HIS B 2 365 ? -24.029 -48.521 9.530 1.00 67.72 ? 343 HIS B CB 1 -ATOM 5356 C CG . HIS B 2 365 ? -24.656 -49.036 10.788 1.00 64.06 ? 343 HIS B CG 1 -ATOM 5357 N ND1 . HIS B 2 365 ? -25.240 -50.287 10.875 1.00 59.91 ? 343 HIS B ND1 1 -ATOM 5358 C CD2 . HIS B 2 365 ? -24.790 -48.471 12.011 1.00 56.23 ? 343 HIS B CD2 1 -ATOM 5359 C CE1 . HIS B 2 365 ? -25.711 -50.464 12.097 1.00 57.21 ? 343 HIS B CE1 1 -ATOM 5360 N NE2 . HIS B 2 365 ? -25.451 -49.378 12.807 1.00 67.86 ? 343 HIS B NE2 1 -ATOM 5361 N N . THR B 2 366 ? -21.209 -47.973 7.701 1.00 55.51 ? 344 THR B N 1 -ATOM 5362 C CA . THR B 2 366 ? -20.776 -47.439 6.412 1.00 53.90 ? 344 THR B CA 1 -ATOM 5363 C C . THR B 2 366 ? -19.852 -48.417 5.673 1.00 57.90 ? 344 THR B C 1 -ATOM 5364 O O . THR B 2 366 ? -19.734 -48.366 4.450 1.00 55.87 ? 344 THR B O 1 -ATOM 5365 C CB . THR B 2 366 ? -20.068 -46.074 6.565 1.00 62.82 ? 344 THR B CB 1 -ATOM 5366 O OG1 . THR B 2 366 ? -18.870 -46.233 7.336 1.00 58.60 ? 344 THR B OG1 1 -ATOM 5367 C CG2 . THR B 2 366 ? -20.988 -45.078 7.261 1.00 64.01 ? 344 THR B CG2 1 -ATOM 5368 N N . LEU B 2 367 ? -19.220 -49.322 6.413 1.00 61.15 ? 345 LEU B N 1 -ATOM 5369 C CA . LEU B 2 367 ? -18.312 -50.302 5.817 1.00 64.11 ? 345 LEU B CA 1 -ATOM 5370 C C . LEU B 2 367 ? -19.040 -51.250 4.855 1.00 68.68 ? 345 LEU B C 1 -ATOM 5371 O O . LEU B 2 367 ? -20.090 -51.806 5.203 1.00 63.87 ? 345 LEU B O 1 -ATOM 5372 C CB . LEU B 2 367 ? -17.635 -51.124 6.914 1.00 69.95 ? 345 LEU B CB 1 -ATOM 5373 C CG . LEU B 2 367 ? -16.205 -50.807 7.337 1.00 75.52 ? 345 LEU B CG 1 -ATOM 5374 C CD1 . LEU B 2 367 ? -15.655 -51.979 8.158 1.00 73.43 ? 345 LEU B CD1 1 -ATOM 5375 C CD2 . LEU B 2 367 ? -15.319 -50.499 6.129 1.00 71.07 ? 345 LEU B CD2 1 -ATOM 5376 N N . PRO B 2 368 ? -18.491 -51.428 3.641 1.00 63.17 ? 346 PRO B N 1 -ATOM 5377 C CA . PRO B 2 368 ? -19.007 -52.390 2.656 1.00 71.77 ? 346 PRO B CA 1 -ATOM 5378 C C . PRO B 2 368 ? -18.660 -53.857 2.996 1.00 67.34 ? 346 PRO B C 1 -ATOM 5379 O O . PRO B 2 368 ? -17.765 -54.118 3.808 1.00 66.06 ? 346 PRO B O 1 -ATOM 5380 C CB . PRO B 2 368 ? -18.314 -51.959 1.356 1.00 57.87 ? 346 PRO B CB 1 -ATOM 5381 C CG . PRO B 2 368 ? -17.031 -51.404 1.810 1.00 63.87 ? 346 PRO B CG 1 -ATOM 5382 C CD . PRO B 2 368 ? -17.294 -50.733 3.143 1.00 63.44 ? 346 PRO B CD 1 -ATOM 5383 N N . THR B 2 369 ? -19.371 -54.798 2.375 1.00 67.49 ? 347 THR B N 1 -ATOM 5384 C CA . THR B 2 369 ? -19.125 -56.227 2.596 1.00 75.87 ? 347 THR B CA 1 -ATOM 5385 C C . THR B 2 369 ? -17.724 -56.523 2.083 1.00 73.45 ? 347 THR B C 1 -ATOM 5386 O O . THR B 2 369 ? -17.314 -55.929 1.082 1.00 73.90 ? 347 THR B O 1 -ATOM 5387 C CB . THR B 2 369 ? -20.193 -57.116 1.883 1.00 70.51 ? 347 THR B CB 1 -ATOM 5388 O OG1 . THR B 2 369 ? -20.086 -58.481 2.317 1.00 73.60 ? 347 THR B OG1 1 -ATOM 5389 C CG2 . THR B 2 369 ? -20.040 -57.055 0.377 1.00 67.23 ? 347 THR B CG2 1 -ATOM 5390 N N . PRO B 2 370 ? -16.971 -57.403 2.781 1.00 74.59 ? 348 PRO B N 1 -ATOM 5391 C CA . PRO B 2 370 ? -15.575 -57.689 2.401 1.00 76.39 ? 348 PRO B CA 1 -ATOM 5392 C C . PRO B 2 370 ? -15.397 -58.107 0.935 1.00 77.10 ? 348 PRO B C 1 -ATOM 5393 O O . PRO B 2 370 ? -14.333 -57.863 0.356 1.00 77.71 ? 348 PRO B O 1 -ATOM 5394 C CB . PRO B 2 370 ? -15.176 -58.836 3.348 1.00 72.04 ? 348 PRO B CB 1 -ATOM 5395 C CG . PRO B 2 370 ? -16.465 -59.365 3.915 1.00 76.82 ? 348 PRO B CG 1 -ATOM 5396 C CD . PRO B 2 370 ? -17.370 -58.163 3.977 1.00 70.63 ? 348 PRO B CD 1 -ATOM 5397 N N . GLU B 2 371 ? -16.444 -58.679 0.339 1.00 80.91 ? 349 GLU B N 1 -ATOM 5398 C CA . GLU B 2 371 ? -16.421 -59.155 -1.049 1.00 80.10 ? 349 GLU B CA 1 -ATOM 5399 C C . GLU B 2 371 ? -16.265 -58.028 -2.085 1.00 85.10 ? 349 GLU B C 1 -ATOM 5400 O O . GLU B 2 371 ? -16.227 -58.282 -3.294 1.00 80.69 ? 349 GLU B O 1 -ATOM 5401 C CB . GLU B 2 371 ? -17.701 -59.949 -1.338 1.00 74.98 ? 349 GLU B CB 1 -ATOM 5402 C CG . GLU B 2 371 ? -18.007 -61.030 -0.285 1.00 85.85 ? 349 GLU B CG 1 -ATOM 5403 C CD . GLU B 2 371 ? -19.501 -61.209 -0.014 1.00 90.09 ? 349 GLU B CD 1 -ATOM 5404 O OE1 . GLU B 2 371 ? -20.315 -61.002 -0.946 1.00 96.58 ? 349 GLU B OE1 1 -ATOM 5405 O OE2 . GLU B 2 371 ? -19.867 -61.563 1.134 1.00 83.57 ? 349 GLU B OE2 1 -ATOM 5406 N N . ALA B 2 372 ? -16.173 -56.789 -1.609 1.00 85.92 ? 350 ALA B N 1 -ATOM 5407 C CA . ALA B 2 372 ? -16.027 -55.641 -2.493 1.00 82.35 ? 350 ALA B CA 1 -ATOM 5408 C C . ALA B 2 372 ? -14.578 -55.183 -2.564 1.00 83.36 ? 350 ALA B C 1 -ATOM 5409 O O . ALA B 2 372 ? -14.294 -54.020 -2.867 1.00 92.25 ? 350 ALA B O 1 -ATOM 5410 C CB . ALA B 2 372 ? -16.932 -54.496 -2.027 1.00 73.12 ? 350 ALA B CB 1 -ATOM 5411 N N . ALA B 2 373 ? -13.656 -56.098 -2.284 1.00 87.25 ? 351 ALA B N 1 -ATOM 5412 C CA . ALA B 2 373 ? -12.235 -55.802 -2.431 1.00 92.17 ? 351 ALA B CA 1 -ATOM 5413 C C . ALA B 2 373 ? -11.827 -55.840 -3.903 1.00 94.71 ? 351 ALA B C 1 -ATOM 5414 O O . ALA B 2 373 ? -10.807 -55.263 -4.291 1.00 92.01 ? 351 ALA B O 1 -ATOM 5415 C CB . ALA B 2 373 ? -11.402 -56.790 -1.624 1.00 98.46 ? 351 ALA B CB 1 -ATOM 5416 N N . GLU B 2 374 ? -12.659 -56.495 -4.712 1.00 85.38 ? 352 GLU B N 1 -ATOM 5417 C CA . GLU B 2 374 ? -12.466 -56.620 -6.157 1.00 84.51 ? 352 GLU B CA 1 -ATOM 5418 C C . GLU B 2 374 ? -12.738 -55.311 -6.909 1.00 90.36 ? 352 GLU B C 1 -ATOM 5419 O O . GLU B 2 374 ? -12.257 -55.116 -8.032 1.00 82.29 ? 352 GLU B O 1 -ATOM 5420 C CB . GLU B 2 374 ? -13.366 -57.738 -6.712 1.00 76.72 ? 352 GLU B CB 1 -ATOM 5421 N N . PHE B 2 375 ? -13.519 -54.425 -6.288 1.00 93.12 ? 353 PHE B N 1 -ATOM 5422 C CA . PHE B 2 375 ? -13.992 -53.209 -6.947 1.00 89.26 ? 353 PHE B CA 1 -ATOM 5423 C C . PHE B 2 375 ? -13.343 -51.941 -6.374 1.00 86.71 ? 353 PHE B C 1 -ATOM 5424 O O . PHE B 2 375 ? -12.939 -51.894 -5.209 1.00 90.41 ? 353 PHE B O 1 -ATOM 5425 C CB . PHE B 2 375 ? -15.521 -53.098 -6.838 1.00 84.98 ? 353 PHE B CB 1 -ATOM 5426 C CG . PHE B 2 375 ? -16.276 -54.334 -7.293 1.00 74.23 ? 353 PHE B CG 1 -ATOM 5427 C CD1 . PHE B 2 375 ? -16.438 -54.610 -8.648 1.00 75.07 ? 353 PHE B CD1 1 -ATOM 5428 C CD2 . PHE B 2 375 ? -16.870 -55.186 -6.370 1.00 72.19 ? 353 PHE B CD2 1 -ATOM 5429 C CE1 . PHE B 2 375 ? -17.150 -55.734 -9.076 1.00 71.13 ? 353 PHE B CE1 1 -ATOM 5430 C CE2 . PHE B 2 375 ? -17.584 -56.313 -6.791 1.00 69.08 ? 353 PHE B CE2 1 -ATOM 5431 C CZ . PHE B 2 375 ? -17.725 -56.586 -8.150 1.00 61.39 ? 353 PHE B CZ 1 -HETATM 5432 S S . SO4 C 3 . ? -19.590 -27.109 -1.111 1.00 79.52 ? 1354 SO4 A S 1 -HETATM 5433 O O1 . SO4 C 3 . ? -19.226 -27.661 -2.422 1.00 68.49 ? 1354 SO4 A O1 1 -HETATM 5434 O O2 . SO4 C 3 . ? -20.725 -26.198 -1.282 1.00 73.39 ? 1354 SO4 A O2 1 -HETATM 5435 O O3 . SO4 C 3 . ? -19.973 -28.159 -0.156 1.00 68.47 ? 1354 SO4 A O3 1 -HETATM 5436 O O4 . SO4 C 3 . ? -18.446 -26.365 -0.584 1.00 87.87 ? 1354 SO4 A O4 1 -HETATM 5437 O O3 . 35M D 4 . ? -23.605 -20.155 -18.384 0.85 56.04 ? 1355 35M A O3 1 -HETATM 5438 C C6 . 35M D 4 . ? -23.574 -18.925 -18.166 0.85 72.54 ? 1355 35M A C6 1 -HETATM 5439 C C5 . 35M D 4 . ? -22.463 -18.304 -17.407 0.85 73.09 ? 1355 35M A C5 1 -HETATM 5440 C C4 . 35M D 4 . ? -21.501 -19.095 -16.774 0.85 68.96 ? 1355 35M A C4 1 -HETATM 5441 C C3 . 35M D 4 . ? -20.531 -18.501 -15.969 0.85 73.77 ? 1355 35M A C3 1 -HETATM 5442 C C2 . 35M D 4 . ? -20.522 -17.114 -15.812 0.85 72.29 ? 1355 35M A C2 1 -HETATM 5443 O O4 . 35M D 4 . ? -19.609 -16.476 -15.044 0.85 80.22 ? 1355 35M A O4 1 -HETATM 5444 C C1 . 35M D 4 . ? -21.476 -16.300 -16.456 0.85 75.19 ? 1355 35M A C1 1 -HETATM 5445 C C . 35M D 4 . ? -22.447 -16.907 -17.259 0.85 71.38 ? 1355 35M A C 1 -HETATM 5446 N N . 35M D 4 . ? -24.563 -18.009 -18.600 0.85 64.44 ? 1355 35M A N 1 -HETATM 5447 C C7 . 35M D 4 . ? -25.762 -18.350 -19.306 0.85 49.54 ? 1355 35M A C7 1 -HETATM 5448 C C12 . 35M D 4 . ? -25.743 -19.236 -20.393 0.85 51.38 ? 1355 35M A C12 1 -HETATM 5449 C C11 . 35M D 4 . ? -26.964 -19.696 -20.957 0.85 60.29 ? 1355 35M A C11 1 -HETATM 5450 C C10 . 35M D 4 . ? -28.154 -19.229 -20.431 0.85 54.84 ? 1355 35M A C10 1 -HETATM 5451 O O2 . 35M D 4 . ? -29.317 -19.455 -21.035 0.85 39.37 ? 1355 35M A O2 1 -HETATM 5452 C C9 . 35M D 4 . ? -28.186 -18.322 -19.346 0.85 59.60 ? 1355 35M A C9 1 -HETATM 5453 C C8 . 35M D 4 . ? -26.995 -17.877 -18.800 0.85 53.86 ? 1355 35M A C8 1 -HETATM 5454 C C13 . 35M D 4 . ? -26.958 -20.786 -21.923 0.85 56.26 ? 1355 35M A C13 1 -HETATM 5455 N N1 . 35M D 4 . ? -28.125 -21.527 -22.102 0.85 42.15 ? 1355 35M A N1 1 -HETATM 5456 C C17 . 35M D 4 . ? -28.108 -22.522 -23.015 0.85 44.65 ? 1355 35M A C17 1 -HETATM 5457 C C16 . 35M D 4 . ? -27.036 -22.820 -23.803 0.85 50.55 ? 1355 35M A C16 1 -HETATM 5458 C C15 . 35M D 4 . ? -25.904 -22.061 -23.584 0.85 57.08 ? 1355 35M A C15 1 -HETATM 5459 C C14 . 35M D 4 . ? -25.811 -21.094 -22.607 0.85 49.45 ? 1355 35M A C14 1 -HETATM 5460 C C18 . 35M D 4 . ? -24.825 -22.121 -24.549 0.85 51.92 ? 1355 35M A C18 1 -HETATM 5461 O O1 . 35M D 4 . ? -25.030 -22.068 -25.759 0.85 53.26 ? 1355 35M A O1 1 -HETATM 5462 O O . 35M D 4 . ? -23.553 -22.215 -24.100 0.85 52.10 ? 1355 35M A O 1 -HETATM 5463 MN MN . MN E 5 . ? -29.941 -21.718 -20.683 1.00 46.87 ? 1356 MN A MN 1 -HETATM 5464 ZN ZN . ZN F 6 . ? -25.758 -16.566 -5.165 1.00 54.42 2 1357 ZN A ZN 1 -HETATM 5465 C C1 . EDO G 7 . ? -5.229 -13.587 -23.052 1.00 70.92 ? 1358 EDO A C1 1 -HETATM 5466 O O1 . EDO G 7 . ? -4.786 -14.582 -23.984 1.00 75.95 ? 1358 EDO A O1 1 -HETATM 5467 C C2 . EDO G 7 . ? -4.356 -13.650 -21.804 1.00 69.74 ? 1358 EDO A C2 1 -HETATM 5468 O O2 . EDO G 7 . ? -4.853 -12.774 -20.781 1.00 65.59 ? 1358 EDO A O2 1 -HETATM 5469 C C1 . EDO H 7 . ? -30.582 -24.175 -4.790 1.00 63.09 ? 1359 EDO A C1 1 -HETATM 5470 O O1 . EDO H 7 . ? -29.555 -23.400 -4.129 1.00 63.56 ? 1359 EDO A O1 1 -HETATM 5471 C C2 . EDO H 7 . ? -30.282 -24.397 -6.275 1.00 52.33 ? 1359 EDO A C2 1 -HETATM 5472 O O2 . EDO H 7 . ? -30.195 -23.160 -7.023 1.00 47.13 ? 1359 EDO A O2 1 -HETATM 5473 S S . DMS I 8 . ? -29.354 -16.111 -23.157 1.00 78.72 ? 1360 DMS A S 1 -HETATM 5474 O O . DMS I 8 . ? -29.082 -17.568 -23.415 1.00 85.48 ? 1360 DMS A O 1 -HETATM 5475 C C1 . DMS I 8 . ? -28.291 -15.144 -24.254 1.00 66.66 ? 1360 DMS A C1 1 -HETATM 5476 C C2 . DMS I 8 . ? -28.618 -15.603 -21.576 1.00 70.62 ? 1360 DMS A C2 1 -HETATM 5477 S S . SO4 J 3 . ? -48.958 -47.198 24.109 1.00 90.28 ? 1354 SO4 B S 1 -HETATM 5478 O O1 . SO4 J 3 . ? -48.004 -48.108 23.473 1.00 73.84 ? 1354 SO4 B O1 1 -HETATM 5479 O O2 . SO4 J 3 . ? -49.348 -46.158 23.151 1.00 82.86 ? 1354 SO4 B O2 1 -HETATM 5480 O O3 . SO4 J 3 . ? -50.144 -47.956 24.508 1.00 82.20 ? 1354 SO4 B O3 1 -HETATM 5481 O O4 . SO4 J 3 . ? -48.341 -46.575 25.286 1.00 67.13 ? 1354 SO4 B O4 1 -HETATM 5482 O O3 . 35M K 4 . ? -44.880 -60.631 7.873 0.85 73.40 ? 1355 35M B O3 1 -HETATM 5483 C C6 . 35M K 4 . ? -45.575 -59.649 7.559 0.85 79.56 ? 1355 35M B C6 1 -HETATM 5484 C C5 . 35M K 4 . ? -47.011 -59.583 7.986 0.85 82.54 ? 1355 35M B C5 1 -HETATM 5485 C C4 . 35M K 4 . ? -48.012 -60.330 7.351 0.85 82.50 ? 1355 35M B C4 1 -HETATM 5486 C C3 . 35M K 4 . ? -49.297 -60.369 7.893 0.85 87.01 ? 1355 35M B C3 1 -HETATM 5487 C C2 . 35M K 4 . ? -49.563 -59.644 9.074 0.85 84.78 ? 1355 35M B C2 1 -HETATM 5488 O O4 . 35M K 4 . ? -50.766 -59.676 9.712 0.85 85.34 ? 1355 35M B O4 1 -HETATM 5489 C C1 . 35M K 4 . ? -48.572 -58.861 9.694 0.85 74.70 ? 1355 35M B C1 1 -HETATM 5490 C C . 35M K 4 . ? -47.303 -58.834 9.137 0.85 71.98 ? 1355 35M B C 1 -HETATM 5491 N N . 35M K 4 . ? -45.089 -58.536 6.810 0.85 72.51 ? 1355 35M B N 1 -HETATM 5492 C C7 . 35M K 4 . ? -43.768 -58.329 6.286 0.85 50.40 ? 1355 35M B C7 1 -HETATM 5493 C C12 . 35M K 4 . ? -43.618 -57.505 5.165 0.85 56.40 ? 1355 35M B C12 1 -HETATM 5494 C C11 . 35M K 4 . ? -42.351 -57.185 4.624 0.85 51.20 ? 1355 35M B C11 1 -HETATM 5495 C C10 . 35M K 4 . ? -41.251 -57.742 5.253 0.85 49.13 ? 1355 35M B C10 1 -HETATM 5496 O O2 . 35M K 4 . ? -40.039 -57.713 4.741 0.85 38.49 ? 1355 35M B O2 1 -HETATM 5497 C C9 . 35M K 4 . ? -41.381 -58.582 6.385 0.85 55.72 ? 1355 35M B C9 1 -HETATM 5498 C C8 . 35M K 4 . ? -42.624 -58.883 6.891 0.85 53.87 ? 1355 35M B C8 1 -HETATM 5499 C C13 . 35M K 4 . ? -42.308 -56.182 3.539 0.85 50.65 ? 1355 35M B C13 1 -HETATM 5500 N N1 . 35M K 4 . ? -41.108 -55.560 3.150 0.85 43.89 ? 1355 35M B N1 1 -HETATM 5501 C C17 . 35M K 4 . ? -41.136 -54.736 2.060 0.85 34.08 ? 1355 35M B C17 1 -HETATM 5502 C C16 . 35M K 4 . ? -42.271 -54.503 1.303 0.85 50.52 ? 1355 35M B C16 1 -HETATM 5503 C C15 . 35M K 4 . ? -43.447 -55.131 1.731 0.85 56.01 ? 1355 35M B C15 1 -HETATM 5504 C C14 . 35M K 4 . ? -43.504 -55.908 2.885 0.85 41.49 ? 1355 35M B C14 1 -HETATM 5505 C C18 . 35M K 4 . ? -44.611 -55.197 0.823 0.85 50.04 ? 1355 35M B C18 1 -HETATM 5506 O O1 . 35M K 4 . ? -44.495 -55.356 -0.387 0.85 45.65 ? 1355 35M B O1 1 -HETATM 5507 O O . 35M K 4 . ? -45.870 -55.138 1.327 0.85 51.65 ? 1355 35M B O 1 -HETATM 5508 MN MN . MN L 5 . ? -39.409 -55.492 4.673 1.00 41.62 ? 1356 MN B MN 1 -HETATM 5509 ZN ZN . ZN M 6 . ? -42.973 -58.483 20.864 1.00 58.63 2 1357 ZN B ZN 1 -HETATM 5510 C C1 . EDO N 7 . ? -37.977 -51.333 17.987 1.00 55.87 ? 1358 EDO B C1 1 -HETATM 5511 O O1 . EDO N 7 . ? -38.275 -52.649 17.497 1.00 56.59 ? 1358 EDO B O1 1 -HETATM 5512 C C2 . EDO N 7 . ? -38.343 -51.238 19.462 1.00 59.36 ? 1358 EDO B C2 1 -HETATM 5513 O O2 . EDO N 7 . ? -38.094 -49.893 19.896 1.00 75.69 ? 1358 EDO B O2 1 -HETATM 5514 C C1 . EDO O 7 . ? -44.580 -42.390 -9.316 1.00 59.31 ? 1359 EDO B C1 1 -HETATM 5515 O O1 . EDO O 7 . ? -44.938 -43.374 -10.307 1.00 69.15 ? 1359 EDO B O1 1 -HETATM 5516 C C2 . EDO O 7 . ? -45.574 -41.246 -9.419 1.00 68.78 ? 1359 EDO B C2 1 -HETATM 5517 O O2 . EDO O 7 . ? -46.790 -41.593 -8.748 1.00 69.38 ? 1359 EDO B O2 1 -HETATM 5518 C C1 . EDO P 7 . ? -48.195 -50.665 18.530 1.00 66.83 ? 1360 EDO B C1 1 -HETATM 5519 O O1 . EDO P 7 . ? -48.072 -49.508 17.671 1.00 58.12 ? 1360 EDO B O1 1 -HETATM 5520 C C2 . EDO P 7 . ? -47.335 -51.831 18.023 1.00 67.82 ? 1360 EDO B C2 1 -HETATM 5521 O O2 . EDO P 7 . ? -47.433 -53.002 18.859 1.00 69.61 ? 1360 EDO B O2 1 -HETATM 5522 S S . DMS Q 8 . ? -40.739 -61.008 3.154 1.00 89.74 ? 1361 DMS B S 1 -HETATM 5523 O O . DMS Q 8 . ? -41.156 -59.905 2.216 1.00 67.18 ? 1361 DMS B O 1 -HETATM 5524 C C1 . DMS Q 8 . ? -38.956 -60.910 3.491 1.00 61.44 ? 1361 DMS B C1 1 -HETATM 5525 C C2 . DMS Q 8 . ? -40.795 -62.594 2.269 1.00 62.35 ? 1361 DMS B C2 1 -HETATM 5526 O O . HOH R 9 . ? -37.421 -36.764 -19.618 1.00 51.84 ? 2001 HOH A O 1 -HETATM 5527 O O . HOH R 9 . ? -39.911 -30.844 -26.028 1.00 58.60 ? 2002 HOH A O 1 -HETATM 5528 O O . HOH R 9 . ? -43.472 -27.297 -18.252 1.00 56.94 ? 2003 HOH A O 1 -HETATM 5529 O O . HOH R 9 . ? -42.057 -31.086 -16.991 1.00 45.04 ? 2004 HOH A O 1 -HETATM 5530 O O . HOH R 9 . ? -28.731 -11.755 -45.834 1.00 70.48 ? 2005 HOH A O 1 -HETATM 5531 O O . HOH R 9 . ? -10.391 -31.615 -10.530 1.00 37.46 ? 2006 HOH A O 1 -HETATM 5532 O O . HOH R 9 . ? -21.760 -22.353 -17.491 1.00 45.80 ? 2007 HOH A O 1 -HETATM 5533 O O . HOH R 9 . ? -11.187 -34.683 -16.642 1.00 45.80 ? 2008 HOH A O 1 -HETATM 5534 O O . HOH R 9 . ? -5.121 -30.377 -18.479 1.00 50.20 ? 2009 HOH A O 1 -HETATM 5535 O O . HOH R 9 . ? -25.748 -15.232 -20.449 1.00 59.63 ? 2010 HOH A O 1 -HETATM 5536 O O . HOH R 9 . ? -24.437 -14.718 -17.738 1.00 61.42 ? 2011 HOH A O 1 -HETATM 5537 O O . HOH R 9 . ? -33.568 -10.301 -28.119 1.00 61.72 ? 2012 HOH A O 1 -HETATM 5538 O O . HOH R 9 . ? -39.985 -10.699 -26.900 1.00 47.93 ? 2013 HOH A O 1 -HETATM 5539 O O . HOH R 9 . ? -38.329 -5.804 -23.229 1.00 53.93 ? 2014 HOH A O 1 -HETATM 5540 O O . HOH R 9 . ? -25.111 -24.318 -12.461 1.00 40.80 ? 2015 HOH A O 1 -HETATM 5541 O O . HOH R 9 . ? -30.312 -18.753 -13.648 1.00 61.98 ? 2016 HOH A O 1 -HETATM 5542 O O . HOH R 9 . ? -32.091 -22.185 -10.704 1.00 49.08 ? 2017 HOH A O 1 -HETATM 5543 O O . HOH R 9 . ? -35.852 -21.344 -17.263 1.00 39.48 ? 2018 HOH A O 1 -HETATM 5544 O O . HOH R 9 . ? -30.708 -21.522 -22.555 1.00 40.37 ? 2019 HOH A O 1 -HETATM 5545 O O . HOH R 9 . ? -32.543 -14.371 -12.347 1.00 59.11 ? 2020 HOH A O 1 -HETATM 5546 O O . HOH R 9 . ? -40.323 -20.036 -10.915 1.00 41.52 ? 2021 HOH A O 1 -HETATM 5547 O O . HOH R 9 . ? -36.759 -20.663 -9.222 1.00 45.97 ? 2022 HOH A O 1 -HETATM 5548 O O . HOH R 9 . ? -30.208 -20.601 -25.009 1.00 59.29 ? 2023 HOH A O 1 -HETATM 5549 O O . HOH R 9 . ? -26.763 -35.002 -25.554 1.00 53.47 ? 2024 HOH A O 1 -HETATM 5550 O O . HOH R 9 . ? -36.243 -28.580 -14.280 1.00 38.74 ? 2025 HOH A O 1 -HETATM 5551 O O . HOH R 9 . ? -40.353 -29.716 -10.222 1.00 45.97 ? 2026 HOH A O 1 -HETATM 5552 O O . HOH R 9 . ? -39.669 -32.327 -7.326 1.00 52.21 ? 2027 HOH A O 1 -HETATM 5553 O O . HOH R 9 . ? -22.425 -17.716 -2.782 1.00 45.28 ? 2028 HOH A O 1 -HETATM 5554 O O . HOH R 9 . ? -23.892 -23.130 -9.762 1.00 43.40 ? 2029 HOH A O 1 -HETATM 5555 O O . HOH R 9 . ? -24.966 -16.348 -14.393 1.00 59.27 ? 2030 HOH A O 1 -HETATM 5556 O O . HOH R 9 . ? -19.647 -39.321 -15.719 1.00 45.43 ? 2031 HOH A O 1 -HETATM 5557 O O . HOH R 9 . ? -32.688 -40.850 -14.872 1.00 48.02 ? 2032 HOH A O 1 -HETATM 5558 O O . HOH R 9 . ? -29.855 -35.758 -31.225 1.00 59.26 ? 2033 HOH A O 1 -HETATM 5559 O O . HOH R 9 . ? -35.117 -23.197 -18.992 1.00 36.74 ? 2034 HOH A O 1 -HETATM 5560 O O . HOH R 9 . ? -42.062 -24.695 -18.257 1.00 46.45 ? 2035 HOH A O 1 -HETATM 5561 O O . HOH R 9 . ? -48.414 -16.997 -15.796 1.00 49.22 ? 2036 HOH A O 1 -HETATM 5562 O O . HOH R 9 . ? -54.531 -15.454 -23.987 1.00 73.13 ? 2037 HOH A O 1 -HETATM 5563 O O . HOH R 9 . ? -39.937 -12.509 -8.835 1.00 52.64 ? 2038 HOH A O 1 -HETATM 5564 O O . HOH R 9 . ? -41.534 -7.463 -8.638 1.00 64.21 ? 2039 HOH A O 1 -HETATM 5565 O O . HOH S 9 . ? -32.488 -43.507 2.776 1.00 37.66 ? 2001 HOH B O 1 -HETATM 5566 O O . HOH S 9 . ? -32.148 -40.655 -4.050 1.00 48.45 ? 2002 HOH B O 1 -HETATM 5567 O O . HOH S 9 . ? -28.943 -47.044 -1.778 1.00 49.02 ? 2003 HOH B O 1 -HETATM 5568 O O . HOH S 9 . ? -27.792 -65.433 -9.786 1.00 61.34 ? 2004 HOH B O 1 -HETATM 5569 O O . HOH S 9 . ? -25.367 -49.780 6.121 1.00 51.98 ? 2005 HOH B O 1 -HETATM 5570 O O . HOH S 9 . ? -26.471 -46.146 6.660 1.00 55.49 ? 2006 HOH B O 1 -HETATM 5571 O O . HOH S 9 . ? -38.910 -48.933 -11.176 1.00 56.67 ? 2007 HOH B O 1 -HETATM 5572 O O . HOH S 9 . ? -46.289 -68.209 -17.868 1.00 73.32 ? 2008 HOH B O 1 -HETATM 5573 O O . HOH S 9 . ? -48.572 -69.278 -20.303 1.00 72.01 ? 2009 HOH B O 1 -HETATM 5574 O O . HOH S 9 . ? -59.540 -45.327 12.336 1.00 50.06 ? 2010 HOH B O 1 -HETATM 5575 O O . HOH S 9 . ? -57.969 -43.130 14.018 1.00 38.45 ? 2011 HOH B O 1 -HETATM 5576 O O . HOH S 9 . ? -47.371 -53.698 8.188 1.00 41.78 ? 2012 HOH B O 1 -HETATM 5577 O O . HOH S 9 . ? -49.640 -57.545 12.254 1.00 65.73 ? 2013 HOH B O 1 -HETATM 5578 O O . HOH S 9 . ? -49.741 -44.742 -9.531 1.00 56.08 ? 2014 HOH B O 1 -HETATM 5579 O O . HOH S 9 . ? -57.321 -41.020 7.990 1.00 44.22 ? 2015 HOH B O 1 -HETATM 5580 O O . HOH S 9 . ? -60.488 -36.004 -0.720 1.00 73.52 ? 2016 HOH B O 1 -HETATM 5581 O O . HOH S 9 . ? -58.720 -42.835 -0.958 1.00 55.95 ? 2017 HOH B O 1 -HETATM 5582 O O . HOH S 9 . ? -47.093 -55.924 -3.758 1.00 46.88 ? 2018 HOH B O 1 -HETATM 5583 O O . HOH S 9 . ? -43.871 -51.419 12.896 1.00 39.73 ? 2019 HOH B O 1 -HETATM 5584 O O . HOH S 9 . ? -39.090 -57.545 11.937 1.00 61.03 ? 2020 HOH B O 1 -HETATM 5585 O O . HOH S 9 . ? -33.024 -55.455 7.433 1.00 38.37 ? 2021 HOH B O 1 -HETATM 5586 O O . HOH S 9 . ? -38.628 -55.785 2.698 1.00 26.99 ? 2022 HOH B O 1 -HETATM 5587 O O . HOH S 9 . ? -39.740 -57.278 0.571 1.00 53.34 ? 2023 HOH B O 1 -HETATM 5588 O O . HOH S 9 . ? -45.892 -49.745 -11.911 1.00 57.89 ? 2024 HOH B O 1 -HETATM 5589 O O . HOH S 9 . ? -32.507 -47.738 9.675 1.00 33.12 ? 2025 HOH B O 1 -HETATM 5590 O O . HOH S 9 . ? -35.919 -35.589 7.718 1.00 46.28 ? 2026 HOH B O 1 -HETATM 5591 O O . HOH S 9 . ? -38.449 -42.557 -7.097 1.00 45.66 ? 2027 HOH B O 1 -HETATM 5592 O O . HOH S 9 . ? -33.799 -53.582 6.222 1.00 41.00 ? 2028 HOH B O 1 -HETATM 5593 O O . HOH S 9 . ? -26.967 -52.370 6.407 1.00 39.72 ? 2029 HOH B O 1 -HETATM 5594 O O . HOH S 9 . ? -20.712 -56.751 9.451 1.00 49.27 ? 2030 HOH B O 1 -HETATM 5595 O O . HOH S 9 . ? -21.078 -53.199 8.186 1.00 63.87 ? 2031 HOH B O 1 -HETATM 5596 O O . HOH S 9 . ? -26.372 -72.511 14.104 1.00 61.00 ? 2032 HOH B O 1 -HETATM 5597 O O . HOH S 9 . ? -26.764 -69.901 18.291 1.00 72.32 ? 2033 HOH B O 1 -HETATM 5598 O O . HOH S 9 . ? -27.618 -67.993 18.212 1.00 65.81 ? 2034 HOH B O 1 -HETATM 5599 O O . HOH S 9 . ? -21.561 -67.582 27.007 1.00 58.97 ? 2035 HOH B O 1 -HETATM 5600 O O . HOH S 9 . ? -21.633 -63.272 0.356 1.00 63.11 ? 2036 HOH B O 1 -# -loop_ -_pdbx_poly_seq_scheme.asym_id -_pdbx_poly_seq_scheme.entity_id -_pdbx_poly_seq_scheme.seq_id -_pdbx_poly_seq_scheme.mon_id -_pdbx_poly_seq_scheme.ndb_seq_num -_pdbx_poly_seq_scheme.pdb_seq_num -_pdbx_poly_seq_scheme.auth_seq_num -_pdbx_poly_seq_scheme.pdb_mon_id -_pdbx_poly_seq_scheme.auth_mon_id -_pdbx_poly_seq_scheme.pdb_strand_id -_pdbx_poly_seq_scheme.pdb_ins_code -_pdbx_poly_seq_scheme.hetero -A 1 1 MET 1 -21 ? ? ? A . n -A 1 2 HIS 2 -20 ? ? ? A . n -A 1 3 HIS 3 -19 ? ? ? A . n -A 1 4 HIS 4 -18 ? ? ? A . n -A 1 5 HIS 5 -17 ? ? ? A . n -A 1 6 HIS 6 -16 ? ? ? A . n -A 1 7 HIS 7 -15 ? ? ? A . n -A 1 8 SER 8 -14 ? ? ? A . n -A 1 9 SER 9 -13 ? ? ? A . n -A 1 10 GLY 10 -12 ? ? ? A . n -A 1 11 VAL 11 -11 ? ? ? A . n -A 1 12 ASP 12 -10 ? ? ? A . n -A 1 13 LEU 13 -9 ? ? ? A . n -A 1 14 GLY 14 -8 ? ? ? A . n -A 1 15 THR 15 -7 ? ? ? A . n -A 1 16 GLU 16 -6 ? ? ? A . n -A 1 17 ASN 17 -5 ? ? ? A . n -A 1 18 LEU 18 -4 ? ? ? A . n -A 1 19 TYR 19 -3 ? ? ? A . n -A 1 20 PHE 20 -2 ? ? ? A . n -A 1 21 GLN 21 -1 ? ? ? A . n -A 1 22 SER 22 0 ? ? ? A . n -A 1 23 MET 23 1 ? ? ? A . n -A 1 24 ALA 24 2 ? ? ? A . n -A 1 25 SER 25 3 ? ? ? A . n -A 1 26 GLU 26 4 ? ? ? A . n -A 1 27 SER 27 5 ? ? ? A . n -A 1 28 GLU 28 6 ? ? ? A . n -A 1 29 THR 29 7 ? ? ? A . n -A 1 30 LEU 30 8 8 LEU LEU A . n -A 1 31 ASN 31 9 9 ASN ASN A . n -A 1 32 PRO 32 10 10 PRO PRO A . n -A 1 33 SER 33 11 11 SER SER A . n -A 1 34 ALA 34 12 12 ALA ALA A . n -A 1 35 ARG 35 13 13 ARG ARG A . n -A 1 36 ILE 36 14 14 ILE ILE A . n -A 1 37 MET 37 15 15 MET MET A . n -A 1 38 THR 38 16 16 THR THR A . n -A 1 39 PHE 39 17 17 PHE PHE A . n -A 1 40 TYR 40 18 18 TYR TYR A . n -A 1 41 PRO 41 19 19 PRO PRO A . n -A 1 42 THR 42 20 20 THR THR A . n -A 1 43 MET 43 21 21 MET MET A . n -A 1 44 GLU 44 22 22 GLU GLU A . n -A 1 45 GLU 45 23 23 GLU GLU A . n -A 1 46 PHE 46 24 24 PHE PHE A . n -A 1 47 ARG 47 25 25 ARG ARG A . n -A 1 48 ASN 48 26 26 ASN ASN A . n -A 1 49 PHE 49 27 27 PHE PHE A . n -A 1 50 SER 50 28 28 SER SER A . n -A 1 51 ARG 51 29 29 ARG ARG A . n -A 1 52 TYR 52 30 30 TYR TYR A . n -A 1 53 ILE 53 31 31 ILE ILE A . n -A 1 54 ALA 54 32 32 ALA ALA A . n -A 1 55 TYR 55 33 33 TYR TYR A . n -A 1 56 ILE 56 34 34 ILE ILE A . n -A 1 57 GLU 57 35 35 GLU GLU A . n -A 1 58 SER 58 36 36 SER SER A . n -A 1 59 GLN 59 37 37 GLN GLN A . n -A 1 60 GLY 60 38 38 GLY GLY A . n -A 1 61 ALA 61 39 39 ALA ALA A . n -A 1 62 HIS 62 40 40 HIS HIS A . n -A 1 63 ARG 63 41 41 ARG ARG A . n -A 1 64 ALA 64 42 42 ALA ALA A . n -A 1 65 GLY 65 43 43 GLY GLY A . n -A 1 66 LEU 66 44 44 LEU LEU A . n -A 1 67 ALA 67 45 45 ALA ALA A . n -A 1 68 LYS 68 46 46 LYS LYS A . n -A 1 69 VAL 69 47 47 VAL VAL A . n -A 1 70 VAL 70 48 48 VAL VAL A . n -A 1 71 PRO 71 49 49 PRO PRO A . n -A 1 72 PRO 72 50 50 PRO PRO A . n -A 1 73 LYS 73 51 51 LYS LYS A . n -A 1 74 GLU 74 52 52 GLU GLU A . n -A 1 75 TRP 75 53 53 TRP TRP A . n -A 1 76 LYS 76 54 54 LYS LYS A . n -A 1 77 PRO 77 55 55 PRO PRO A . n -A 1 78 ARG 78 56 56 ARG ARG A . n -A 1 79 ALA 79 57 57 ALA ALA A . n -A 1 80 SER 80 58 58 SER SER A . n -A 1 81 TYR 81 59 59 TYR TYR A . n -A 1 82 ASP 82 60 60 ASP ASP A . n -A 1 83 ASP 83 61 61 ASP ASP A . n -A 1 84 ILE 84 62 62 ILE ILE A . n -A 1 85 ASP 85 63 63 ASP ASP A . n -A 1 86 ASP 86 64 64 ASP ASP A . n -A 1 87 LEU 87 65 65 LEU LEU A . n -A 1 88 VAL 88 66 66 VAL VAL A . n -A 1 89 ILE 89 67 67 ILE ILE A . n -A 1 90 PRO 90 68 68 PRO PRO A . n -A 1 91 ALA 91 69 69 ALA ALA A . n -A 1 92 PRO 92 70 70 PRO PRO A . n -A 1 93 ILE 93 71 71 ILE ILE A . n -A 1 94 GLN 94 72 72 GLN GLN A . n -A 1 95 GLN 95 73 73 GLN GLN A . n -A 1 96 LEU 96 74 74 LEU LEU A . n -A 1 97 VAL 97 75 75 VAL VAL A . n -A 1 98 THR 98 76 76 THR THR A . n -A 1 99 GLY 99 77 77 GLY GLY A . n -A 1 100 GLN 100 78 78 GLN GLN A . n -A 1 101 SER 101 79 79 SER SER A . n -A 1 102 GLY 102 80 80 GLY GLY A . n -A 1 103 LEU 103 81 81 LEU LEU A . n -A 1 104 PHE 104 82 82 PHE PHE A . n -A 1 105 THR 105 83 83 THR THR A . n -A 1 106 GLN 106 84 84 GLN GLN A . n -A 1 107 TYR 107 85 85 TYR TYR A . n -A 1 108 ASN 108 86 86 ASN ASN A . n -A 1 109 ILE 109 87 87 ILE ILE A . n -A 1 110 GLN 110 88 88 GLN GLN A . n -A 1 111 LYS 111 89 89 LYS LYS A . n -A 1 112 LYS 112 90 90 LYS LYS A . n -A 1 113 ALA 113 91 91 ALA ALA A . n -A 1 114 MET 114 92 92 MET MET A . n -A 1 115 THR 115 93 93 THR THR A . n -A 1 116 VAL 116 94 94 VAL VAL A . n -A 1 117 ARG 117 95 95 ARG ARG A . n -A 1 118 GLU 118 96 96 GLU GLU A . n -A 1 119 PHE 119 97 97 PHE PHE A . n -A 1 120 ARG 120 98 98 ARG ARG A . n -A 1 121 LYS 121 99 99 LYS LYS A . n -A 1 122 ILE 122 100 100 ILE ILE A . n -A 1 123 ALA 123 101 101 ALA ALA A . n -A 1 124 ASN 124 102 102 ASN ASN A . n -A 1 125 SER 125 103 103 SER SER A . n -A 1 126 ASP 126 104 104 ASP ASP A . n -A 1 127 LYS 127 105 105 LYS LYS A . n -A 1 128 TYR 128 106 106 TYR TYR A . n -A 1 129 CYS 129 107 107 CYS CYS A . n -A 1 130 THR 130 108 108 THR THR A . n -A 1 131 PRO 131 109 109 PRO PRO A . n -A 1 132 ARG 132 110 110 ARG ARG A . n -A 1 133 TYR 133 111 111 TYR TYR A . n -A 1 134 SER 134 112 112 SER SER A . n -A 1 135 GLU 135 113 113 GLU GLU A . n -A 1 136 PHE 136 114 114 PHE PHE A . n -A 1 137 GLU 137 115 115 GLU GLU A . n -A 1 138 GLU 138 116 116 GLU GLU A . n -A 1 139 LEU 139 117 117 LEU LEU A . n -A 1 140 GLU 140 118 118 GLU GLU A . n -A 1 141 ARG 141 119 119 ARG ARG A . n -A 1 142 LYS 142 120 120 LYS LYS A . n -A 1 143 TYR 143 121 121 TYR TYR A . n -A 1 144 TRP 144 122 122 TRP TRP A . n -A 1 145 LYS 145 123 123 LYS LYS A . n -A 1 146 ASN 146 124 124 ASN ASN A . n -A 1 147 LEU 147 125 125 LEU LEU A . n -A 1 148 THR 148 126 126 THR THR A . n -A 1 149 PHE 149 127 127 PHE PHE A . n -A 1 150 ASN 150 128 128 ASN ASN A . n -A 1 151 PRO 151 129 129 PRO PRO A . n -A 1 152 PRO 152 130 130 PRO PRO A . n -A 1 153 ILE 153 131 131 ILE ILE A . n -A 1 154 TYR 154 132 132 TYR TYR A . n -A 1 155 GLY 155 133 133 GLY GLY A . n -A 1 156 ALA 156 134 134 ALA ALA A . n -A 1 157 ASP 157 135 135 ASP ASP A . n -A 1 158 VAL 158 136 136 VAL VAL A . n -A 1 159 ASN 159 137 137 ASN ASN A . n -A 1 160 GLY 160 138 138 GLY GLY A . n -A 1 161 THR 161 139 139 THR THR A . n -A 1 162 LEU 162 140 140 LEU LEU A . n -A 1 163 TYR 163 141 141 TYR TYR A . n -A 1 164 GLU 164 142 142 GLU GLU A . n -A 1 165 LYS 165 143 143 LYS LYS A . n -A 1 166 HIS 166 144 144 HIS HIS A . n -A 1 167 VAL 167 145 145 VAL VAL A . n -A 1 168 ASP 168 146 146 ASP ASP A . n -A 1 169 GLU 169 147 147 GLU GLU A . n -A 1 170 TRP 170 148 148 TRP TRP A . n -A 1 171 ASN 171 149 149 ASN ASN A . n -A 1 172 ILE 172 150 150 ILE ILE A . n -A 1 173 GLY 173 151 151 GLY GLY A . n -A 1 174 ARG 174 152 152 ARG ARG A . n -A 1 175 LEU 175 153 153 LEU LEU A . n -A 1 176 ARG 176 154 154 ARG ARG A . n -A 1 177 THR 177 155 155 THR THR A . n -A 1 178 ILE 178 156 156 ILE ILE A . n -A 1 179 LEU 179 157 157 LEU LEU A . n -A 1 180 ASP 180 158 158 ASP ASP A . n -A 1 181 LEU 181 159 159 LEU LEU A . n -A 1 182 VAL 182 160 160 VAL VAL A . n -A 1 183 GLU 183 161 161 GLU GLU A . n -A 1 184 LYS 184 162 162 LYS LYS A . n -A 1 185 GLU 185 163 163 GLU GLU A . n -A 1 186 SER 186 164 164 SER SER A . n -A 1 187 GLY 187 165 165 GLY GLY A . n -A 1 188 ILE 188 166 166 ILE ILE A . n -A 1 189 THR 189 167 167 THR THR A . n -A 1 190 ILE 190 168 168 ILE ILE A . n -A 1 191 GLU 191 169 169 GLU GLU A . n -A 1 192 GLY 192 170 170 GLY GLY A . n -A 1 193 VAL 193 171 171 VAL VAL A . n -A 1 194 ASN 194 172 172 ASN ASN A . n -A 1 195 THR 195 173 173 THR THR A . n -A 1 196 PRO 196 174 174 PRO PRO A . n -A 1 197 TYR 197 175 175 TYR TYR A . n -A 1 198 LEU 198 176 176 LEU LEU A . n -A 1 199 TYR 199 177 177 TYR TYR A . n -A 1 200 PHE 200 178 178 PHE PHE A . n -A 1 201 GLY 201 179 179 GLY GLY A . n -A 1 202 MET 202 180 180 MET MET A . n -A 1 203 TRP 203 181 181 TRP TRP A . n -A 1 204 LYS 204 182 182 LYS LYS A . n -A 1 205 THR 205 183 183 THR THR A . n -A 1 206 SER 206 184 184 SER SER A . n -A 1 207 PHE 207 185 185 PHE PHE A . n -A 1 208 ALA 208 186 186 ALA ALA A . n -A 1 209 TRP 209 187 187 TRP TRP A . n -A 1 210 HIS 210 188 188 HIS HIS A . n -A 1 211 THR 211 189 189 THR THR A . n -A 1 212 GLU 212 190 190 GLU GLU A . n -A 1 213 ASP 213 191 191 ASP ASP A . n -A 1 214 MET 214 192 192 MET MET A . n -A 1 215 ASP 215 193 193 ASP ASP A . n -A 1 216 LEU 216 194 194 LEU LEU A . n -A 1 217 TYR 217 195 195 TYR TYR A . n -A 1 218 SER 218 196 196 SER SER A . n -A 1 219 ILE 219 197 197 ILE ILE A . n -A 1 220 ASN 220 198 198 ASN ASN A . n -A 1 221 TYR 221 199 199 TYR TYR A . n -A 1 222 LEU 222 200 200 LEU LEU A . n -A 1 223 HIS 223 201 201 HIS HIS A . n -A 1 224 PHE 224 202 202 PHE PHE A . n -A 1 225 GLY 225 203 203 GLY GLY A . n -A 1 226 GLU 226 204 204 GLU GLU A . n -A 1 227 PRO 227 205 205 PRO PRO A . n -A 1 228 LYS 228 206 206 LYS LYS A . n -A 1 229 SER 229 207 207 SER SER A . n -A 1 230 TRP 230 208 208 TRP TRP A . n -A 1 231 TYR 231 209 209 TYR TYR A . n -A 1 232 SER 232 210 210 SER SER A . n -A 1 233 VAL 233 211 211 VAL VAL A . n -A 1 234 PRO 234 212 212 PRO PRO A . n -A 1 235 PRO 235 213 213 PRO PRO A . n -A 1 236 GLU 236 214 214 GLU GLU A . n -A 1 237 HIS 237 215 215 HIS HIS A . n -A 1 238 GLY 238 216 216 GLY GLY A . n -A 1 239 LYS 239 217 217 LYS LYS A . n -A 1 240 ARG 240 218 218 ARG ARG A . n -A 1 241 LEU 241 219 219 LEU LEU A . n -A 1 242 GLU 242 220 220 GLU GLU A . n -A 1 243 ARG 243 221 221 ARG ARG A . n -A 1 244 LEU 244 222 222 LEU LEU A . n -A 1 245 ALA 245 223 223 ALA ALA A . n -A 1 246 LYS 246 224 224 LYS LYS A . n -A 1 247 GLY 247 225 225 GLY GLY A . n -A 1 248 PHE 248 226 226 PHE PHE A . n -A 1 249 PHE 249 227 227 PHE PHE A . n -A 1 250 PRO 250 228 228 PRO PRO A . n -A 1 251 GLY 251 229 229 GLY GLY A . n -A 1 252 SER 252 230 230 SER SER A . n -A 1 253 ALA 253 231 231 ALA ALA A . n -A 1 254 GLN 254 232 232 GLN GLN A . n -A 1 255 SER 255 233 233 SER SER A . n -A 1 256 CYS 256 234 234 CYS CYS A . n -A 1 257 GLU 257 235 235 GLU GLU A . n -A 1 258 ALA 258 236 236 ALA ALA A . n -A 1 259 PHE 259 237 237 PHE PHE A . n -A 1 260 LEU 260 238 238 LEU LEU A . n -A 1 261 ARG 261 239 239 ARG ARG A . n -A 1 262 HIS 262 240 240 HIS HIS A . n -A 1 263 LYS 263 241 241 LYS LYS A . n -A 1 264 MET 264 242 242 MET MET A . n -A 1 265 THR 265 243 243 THR THR A . n -A 1 266 LEU 266 244 244 LEU LEU A . n -A 1 267 ILE 267 245 245 ILE ILE A . n -A 1 268 SER 268 246 246 SER SER A . n -A 1 269 PRO 269 247 247 PRO PRO A . n -A 1 270 LEU 270 248 248 LEU LEU A . n -A 1 271 MET 271 249 249 MET MET A . n -A 1 272 LEU 272 250 250 LEU LEU A . n -A 1 273 LYS 273 251 251 LYS LYS A . n -A 1 274 LYS 274 252 252 LYS LYS A . n -A 1 275 TYR 275 253 253 TYR TYR A . n -A 1 276 GLY 276 254 254 GLY GLY A . n -A 1 277 ILE 277 255 255 ILE ILE A . n -A 1 278 PRO 278 256 256 PRO PRO A . n -A 1 279 PHE 279 257 257 PHE PHE A . n -A 1 280 ASP 280 258 258 ASP ASP A . n -A 1 281 LYS 281 259 259 LYS LYS A . n -A 1 282 VAL 282 260 260 VAL VAL A . n -A 1 283 THR 283 261 261 THR THR A . n -A 1 284 GLN 284 262 262 GLN GLN A . n -A 1 285 GLU 285 263 263 GLU GLU A . n -A 1 286 ALA 286 264 264 ALA ALA A . n -A 1 287 GLY 287 265 265 GLY GLY A . n -A 1 288 GLU 288 266 266 GLU GLU A . n -A 1 289 PHE 289 267 267 PHE PHE A . n -A 1 290 MET 290 268 268 MET MET A . n -A 1 291 ILE 291 269 269 ILE ILE A . n -A 1 292 THR 292 270 270 THR THR A . n -A 1 293 PHE 293 271 271 PHE PHE A . n -A 1 294 PRO 294 272 272 PRO PRO A . n -A 1 295 TYR 295 273 273 TYR TYR A . n -A 1 296 GLY 296 274 274 GLY GLY A . n -A 1 297 TYR 297 275 275 TYR TYR A . n -A 1 298 HIS 298 276 276 HIS HIS A . n -A 1 299 ALA 299 277 277 ALA ALA A . n -A 1 300 GLY 300 278 278 GLY GLY A . n -A 1 301 PHE 301 279 279 PHE PHE A . n -A 1 302 ASN 302 280 280 ASN ASN A . n -A 1 303 HIS 303 281 281 HIS HIS A . n -A 1 304 GLY 304 282 282 GLY GLY A . n -A 1 305 PHE 305 283 283 PHE PHE A . n -A 1 306 ASN 306 284 284 ASN ASN A . n -A 1 307 CYS 307 285 285 CYS CYS A . n -A 1 308 ALA 308 286 286 ALA ALA A . n -A 1 309 GLU 309 287 287 GLU GLU A . n -A 1 310 SER 310 288 288 SER SER A . n -A 1 311 THR 311 289 289 THR THR A . n -A 1 312 ASN 312 290 290 ASN ASN A . n -A 1 313 PHE 313 291 291 PHE PHE A . n -A 1 314 ALA 314 292 292 ALA ALA A . n -A 1 315 THR 315 293 293 THR THR A . n -A 1 316 ARG 316 294 294 ARG ARG A . n -A 1 317 ARG 317 295 295 ARG ARG A . n -A 1 318 TRP 318 296 296 TRP TRP A . n -A 1 319 ILE 319 297 297 ILE ILE A . n -A 1 320 GLU 320 298 298 GLU GLU A . n -A 1 321 TYR 321 299 299 TYR TYR A . n -A 1 322 GLY 322 300 300 GLY GLY A . n -A 1 323 LYS 323 301 301 LYS LYS A . n -A 1 324 GLN 324 302 302 GLN GLN A . n -A 1 325 ALA 325 303 303 ALA ALA A . n -A 1 326 VAL 326 304 304 VAL VAL A . n -A 1 327 LEU 327 305 305 LEU LEU A . n -A 1 328 CYS 328 306 306 CYS CYS A . n -A 1 329 SER 329 307 307 SER SER A . n -A 1 330 CYS 330 308 308 CYS CYS A . n -A 1 331 ARG 331 309 309 ARG ARG A . n -A 1 332 LYS 332 310 310 LYS LYS A . n -A 1 333 ASP 333 311 311 ASP ASP A . n -A 1 334 MET 334 312 312 MET MET A . n -A 1 335 VAL 335 313 313 VAL VAL A . n -A 1 336 LYS 336 314 314 LYS LYS A . n -A 1 337 ILE 337 315 315 ILE ILE A . n -A 1 338 SER 338 316 316 SER SER A . n -A 1 339 MET 339 317 317 MET MET A . n -A 1 340 ASP 340 318 318 ASP ASP A . n -A 1 341 VAL 341 319 319 VAL VAL A . n -A 1 342 PHE 342 320 320 PHE PHE A . n -A 1 343 VAL 343 321 321 VAL VAL A . n -A 1 344 ARG 344 322 322 ARG ARG A . n -A 1 345 LYS 345 323 323 LYS LYS A . n -A 1 346 PHE 346 324 324 PHE PHE A . n -A 1 347 GLN 347 325 325 GLN GLN A . n -A 1 348 PRO 348 326 326 PRO PRO A . n -A 1 349 GLU 349 327 327 GLU GLU A . n -A 1 350 ARG 350 328 328 ARG ARG A . n -A 1 351 TYR 351 329 329 TYR TYR A . n -A 1 352 LYS 352 330 330 LYS LYS A . n -A 1 353 LEU 353 331 331 LEU LEU A . n -A 1 354 TRP 354 332 332 TRP TRP A . n -A 1 355 LYS 355 333 333 LYS LYS A . n -A 1 356 ALA 356 334 334 ALA ALA A . n -A 1 357 GLY 357 335 335 GLY GLY A . n -A 1 358 LYS 358 336 336 LYS LYS A . n -A 1 359 ASP 359 337 337 ASP ASP A . n -A 1 360 ASN 360 338 338 ASN ASN A . n -A 1 361 THR 361 339 339 THR THR A . n -A 1 362 VAL 362 340 340 VAL VAL A . n -A 1 363 ILE 363 341 341 ILE ILE A . n -A 1 364 ASP 364 342 342 ASP ASP A . n -A 1 365 HIS 365 343 343 HIS HIS A . n -A 1 366 THR 366 344 344 THR THR A . n -A 1 367 LEU 367 345 345 LEU LEU A . n -A 1 368 PRO 368 346 346 PRO PRO A . n -A 1 369 THR 369 347 347 THR THR A . n -A 1 370 PRO 370 348 348 PRO PRO A . n -A 1 371 GLU 371 349 349 GLU GLU A . n -A 1 372 ALA 372 350 350 ALA ALA A . n -A 1 373 ALA 373 351 351 ALA ALA A . n -A 1 374 GLU 374 352 352 GLU GLU A . n -A 1 375 PHE 375 353 353 PHE PHE A . n -A 1 376 LEU 376 354 ? ? ? A . n -A 1 377 LYS 377 355 ? ? ? A . n -A 1 378 GLU 378 356 ? ? ? A . n -A 1 379 SER 379 357 ? ? ? A . n -A 1 380 GLU 380 358 ? ? ? A . n -A 1 381 LEU 381 359 ? ? ? A . n -B 2 1 MET 1 -21 ? ? ? B . n -B 2 2 HIS 2 -20 ? ? ? B . n -B 2 3 HIS 3 -19 ? ? ? B . n -B 2 4 HIS 4 -18 ? ? ? B . n -B 2 5 HIS 5 -17 ? ? ? B . n -B 2 6 HIS 6 -16 ? ? ? B . n -B 2 7 HIS 7 -15 ? ? ? B . n -B 2 8 SER 8 -14 ? ? ? B . n -B 2 9 SER 9 -13 ? ? ? B . n -B 2 10 GLY 10 -12 ? ? ? B . n -B 2 11 VAL 11 -11 ? ? ? B . n -B 2 12 ASP 12 -10 ? ? ? B . n -B 2 13 LEU 13 -9 ? ? ? B . n -B 2 14 GLY 14 -8 ? ? ? B . n -B 2 15 THR 15 -7 ? ? ? B . n -B 2 16 GLU 16 -6 ? ? ? B . n -B 2 17 ASN 17 -5 ? ? ? B . n -B 2 18 LEU 18 -4 ? ? ? B . n -B 2 19 TYR 19 -3 ? ? ? B . n -B 2 20 PHE 20 -2 ? ? ? B . n -B 2 21 GLN 21 -1 ? ? ? B . n -B 2 22 SER 22 0 ? ? ? B . n -B 2 23 MET 23 1 ? ? ? B . n -B 2 24 ALA 24 2 ? ? ? B . n -B 2 25 SER 25 3 ? ? ? B . n -B 2 26 GLU 26 4 ? ? ? B . n -B 2 27 SER 27 5 ? ? ? B . n -B 2 28 GLU 28 6 ? ? ? B . n -B 2 29 THR 29 7 ? ? ? B . n -B 2 30 LEU 30 8 8 LEU LEU B . n -B 2 31 ASN 31 9 9 ASN ASN B . n -B 2 32 PRO 32 10 10 PRO PRO B . n -B 2 33 SER 33 11 11 SER SER B . n -B 2 34 ALA 34 12 12 ALA ALA B . n -B 2 35 ARG 35 13 13 ARG ARG B . n -B 2 36 ILE 36 14 14 ILE ILE B . n -B 2 37 MET 37 15 15 MET MET B . n -B 2 38 THR 38 16 16 THR THR B . n -B 2 39 PHE 39 17 17 PHE PHE B . n -B 2 40 TYR 40 18 18 TYR TYR B . n -B 2 41 PRO 41 19 19 PRO PRO B . n -B 2 42 THR 42 20 20 THR THR B . n -B 2 43 MET 43 21 21 MET MET B . n -B 2 44 GLU 44 22 22 GLU GLU B . n -B 2 45 GLU 45 23 23 GLU GLU B . n -B 2 46 PHE 46 24 24 PHE PHE B . n -B 2 47 ARG 47 25 25 ARG ARG B . n -B 2 48 ASN 48 26 26 ASN ASN B . n -B 2 49 PHE 49 27 27 PHE PHE B . n -B 2 50 SER 50 28 28 SER SER B . n -B 2 51 ARG 51 29 29 ARG ARG B . n -B 2 52 TYR 52 30 30 TYR TYR B . n -B 2 53 ILE 53 31 31 ILE ILE B . n -B 2 54 ALA 54 32 32 ALA ALA B . n -B 2 55 TYR 55 33 33 TYR TYR B . n -B 2 56 ILE 56 34 34 ILE ILE B . n -B 2 57 GLU 57 35 35 GLU GLU B . n -B 2 58 SER 58 36 36 SER SER B . n -B 2 59 GLN 59 37 37 GLN GLN B . n -B 2 60 GLY 60 38 38 GLY GLY B . n -B 2 61 ALA 61 39 39 ALA ALA B . n -B 2 62 HIS 62 40 40 HIS HIS B . n -B 2 63 ARG 63 41 41 ARG ARG B . n -B 2 64 ALA 64 42 42 ALA ALA B . n -B 2 65 GLY 65 43 43 GLY GLY B . n -B 2 66 LEU 66 44 44 LEU LEU B . n -B 2 67 ALA 67 45 45 ALA ALA B . n -B 2 68 LYS 68 46 46 LYS LYS B . n -B 2 69 VAL 69 47 47 VAL VAL B . n -B 2 70 VAL 70 48 48 VAL VAL B . n -B 2 71 PRO 71 49 49 PRO PRO B . n -B 2 72 PRO 72 50 50 PRO PRO B . n -B 2 73 LYS 73 51 51 LYS LYS B . n -B 2 74 GLU 74 52 52 GLU GLU B . n -B 2 75 TRP 75 53 53 TRP TRP B . n -B 2 76 LYS 76 54 54 LYS LYS B . n -B 2 77 PRO 77 55 55 PRO PRO B . n -B 2 78 ARG 78 56 56 ARG ARG B . n -B 2 79 ALA 79 57 57 ALA ALA B . n -B 2 80 SER 80 58 58 SER SER B . n -B 2 81 TYR 81 59 59 TYR TYR B . n -B 2 82 ASP 82 60 60 ASP ASP B . n -B 2 83 ASP 83 61 61 ASP ASP B . n -B 2 84 ILE 84 62 62 ILE ILE B . n -B 2 85 ASP 85 63 63 ASP ASP B . n -B 2 86 ASP 86 64 64 ASP ASP B . n -B 2 87 LEU 87 65 65 LEU LEU B . n -B 2 88 VAL 88 66 66 VAL VAL B . n -B 2 89 ILE 89 67 67 ILE ILE B . n -B 2 90 PRO 90 68 68 PRO PRO B . n -B 2 91 ALA 91 69 69 ALA ALA B . n -B 2 92 PRO 92 70 70 PRO PRO B . n -B 2 93 ILE 93 71 71 ILE ILE B . n -B 2 94 GLN 94 72 72 GLN GLN B . n -B 2 95 GLN 95 73 73 GLN GLN B . n -B 2 96 LEU 96 74 74 LEU LEU B . n -B 2 97 VAL 97 75 75 VAL VAL B . n -B 2 98 THR 98 76 76 THR THR B . n -B 2 99 GLY 99 77 77 GLY GLY B . n -B 2 100 GLN 100 78 78 GLN GLN B . n -B 2 101 SER 101 79 79 SER SER B . n -B 2 102 GLY 102 80 80 GLY GLY B . n -B 2 103 LEU 103 81 81 LEU LEU B . n -B 2 104 PHE 104 82 82 PHE PHE B . n -B 2 105 THR 105 83 83 THR THR B . n -B 2 106 GLN 106 84 84 GLN GLN B . n -B 2 107 TYR 107 85 85 TYR TYR B . n -B 2 108 ASN 108 86 86 ASN ASN B . n -B 2 109 ILE 109 87 87 ILE ILE B . n -B 2 110 GLN 110 88 88 GLN GLN B . n -B 2 111 LYS 111 89 89 LYS LYS B . n -B 2 112 LYS 112 90 90 LYS LYS B . n -B 2 113 ALA 113 91 91 ALA ALA B . n -B 2 114 MET 114 92 92 MET MET B . n -B 2 115 THR 115 93 93 THR THR B . n -B 2 116 VAL 116 94 94 VAL VAL B . n -B 2 117 ARG 117 95 95 ARG ARG B . n -B 2 118 GLU 118 96 96 GLU GLU B . n -B 2 119 PHE 119 97 97 PHE PHE B . n -B 2 120 ARG 120 98 98 ARG ARG B . n -B 2 121 LYS 121 99 99 LYS LYS B . n -B 2 122 ILE 122 100 100 ILE ILE B . n -B 2 123 ALA 123 101 101 ALA ALA B . n -B 2 124 ASN 124 102 102 ASN ASN B . n -B 2 125 SER 125 103 103 SER SER B . n -B 2 126 ASP 126 104 104 ASP ASP B . n -B 2 127 LYS 127 105 105 LYS LYS B . n -B 2 128 TYR 128 106 106 TYR TYR B . n -B 2 129 CYS 129 107 107 CYS CYS B . n -B 2 130 THR 130 108 108 THR THR B . n -B 2 131 PRO 131 109 109 PRO PRO B . n -B 2 132 ARG 132 110 110 ARG ARG B . n -B 2 133 TYR 133 111 111 TYR TYR B . n -B 2 134 SER 134 112 112 SER SER B . n -B 2 135 GLU 135 113 113 GLU GLU B . n -B 2 136 PHE 136 114 114 PHE PHE B . n -B 2 137 GLU 137 115 115 GLU GLU B . n -B 2 138 GLU 138 116 116 GLU GLU B . n -B 2 139 LEU 139 117 117 LEU LEU B . n -B 2 140 GLU 140 118 118 GLU GLU B . n -B 2 141 ARG 141 119 119 ARG ARG B . n -B 2 142 LYS 142 120 120 LYS LYS B . n -B 2 143 TYR 143 121 121 TYR TYR B . n -B 2 144 TRP 144 122 122 TRP TRP B . n -B 2 145 LYS 145 123 123 LYS LYS B . n -B 2 146 ASN 146 124 124 ASN ASN B . n -B 2 147 LEU 147 125 125 LEU LEU B . n -B 2 148 THR 148 126 126 THR THR B . n -B 2 149 PHE 149 127 127 PHE PHE B . n -B 2 150 ASN 150 128 128 ASN ASN B . n -B 2 151 PRO 151 129 129 PRO PRO B . n -B 2 152 PRO 152 130 130 PRO PRO B . n -B 2 153 ILE 153 131 131 ILE ILE B . n -B 2 154 TYR 154 132 132 TYR TYR B . n -B 2 155 GLY 155 133 133 GLY GLY B . n -B 2 156 ALA 156 134 134 ALA ALA B . n -B 2 157 ASP 157 135 135 ASP ASP B . n -B 2 158 VAL 158 136 136 VAL VAL B . n -B 2 159 ASN 159 137 137 ASN ASN B . n -B 2 160 GLY 160 138 138 GLY GLY B . n -B 2 161 THR 161 139 139 THR THR B . n -B 2 162 LEU 162 140 140 LEU LEU B . n -B 2 163 TYR 163 141 141 TYR TYR B . n -B 2 164 GLU 164 142 142 GLU GLU B . n -B 2 165 LYS 165 143 143 LYS LYS B . n -B 2 166 HIS 166 144 144 HIS HIS B . n -B 2 167 VAL 167 145 145 VAL VAL B . n -B 2 168 ASP 168 146 146 ASP ASP B . n -B 2 169 GLU 169 147 147 GLU GLU B . n -B 2 170 TRP 170 148 148 TRP TRP B . n -B 2 171 ASN 171 149 149 ASN ASN B . n -B 2 172 ILE 172 150 150 ILE ILE B . n -B 2 173 GLY 173 151 151 GLY GLY B . n -B 2 174 ARG 174 152 152 ARG ARG B . n -B 2 175 LEU 175 153 153 LEU LEU B . n -B 2 176 ARG 176 154 154 ARG ARG B . n -B 2 177 THR 177 155 155 THR THR B . n -B 2 178 ILE 178 156 156 ILE ILE B . n -B 2 179 LEU 179 157 157 LEU LEU B . n -B 2 180 ASP 180 158 158 ASP ASP B . n -B 2 181 LEU 181 159 159 LEU LEU B . n -B 2 182 VAL 182 160 160 VAL VAL B . n -B 2 183 GLU 183 161 161 GLU GLU B . n -B 2 184 LYS 184 162 162 LYS LYS B . n -B 2 185 GLU 185 163 163 GLU GLU B . n -B 2 186 SER 186 164 164 SER SER B . n -B 2 187 GLY 187 165 165 GLY GLY B . n -B 2 188 ILE 188 166 166 ILE ILE B . n -B 2 189 THR 189 167 167 THR THR B . n -B 2 190 ILE 190 168 168 ILE ILE B . n -B 2 191 GLU 191 169 169 GLU GLU B . n -B 2 192 GLY 192 170 170 GLY GLY B . n -B 2 193 VAL 193 171 171 VAL VAL B . n -B 2 194 ASN 194 172 172 ASN ASN B . n -B 2 195 THR 195 173 173 THR THR B . n -B 2 196 PRO 196 174 174 PRO PRO B . n -B 2 197 TYR 197 175 175 TYR TYR B . n -B 2 198 LEU 198 176 176 LEU LEU B . n -B 2 199 TYR 199 177 177 TYR TYR B . n -B 2 200 PHE 200 178 178 PHE PHE B . n -B 2 201 GLY 201 179 179 GLY GLY B . n -B 2 202 MET 202 180 180 MET MET B . n -B 2 203 TRP 203 181 181 TRP TRP B . n -B 2 204 LYS 204 182 182 LYS LYS B . n -B 2 205 THR 205 183 183 THR THR B . n -B 2 206 SER 206 184 184 SER SER B . n -B 2 207 PHE 207 185 185 PHE PHE B . n -B 2 208 ALA 208 186 186 ALA ALA B . n -B 2 209 TRP 209 187 187 TRP TRP B . n -B 2 210 HIS 210 188 188 HIS HIS B . n -B 2 211 THR 211 189 189 THR THR B . n -B 2 212 GLU 212 190 190 GLU GLU B . n -B 2 213 ASP 213 191 191 ASP ASP B . n -B 2 214 MET 214 192 192 MET MET B . n -B 2 215 ASP 215 193 193 ASP ASP B . n -B 2 216 LEU 216 194 194 LEU LEU B . n -B 2 217 TYR 217 195 195 TYR TYR B . n -B 2 218 SER 218 196 196 SER SER B . n -B 2 219 ILE 219 197 197 ILE ILE B . n -B 2 220 ASN 220 198 198 ASN ASN B . n -B 2 221 TYR 221 199 199 TYR TYR B . n -B 2 222 LEU 222 200 200 LEU LEU B . n -B 2 223 HIS 223 201 201 HIS HIS B . n -B 2 224 PHE 224 202 202 PHE PHE B . n -B 2 225 GLY 225 203 203 GLY GLY B . n -B 2 226 GLU 226 204 204 GLU GLU B . n -B 2 227 PRO 227 205 205 PRO PRO B . n -B 2 228 LYS 228 206 206 LYS LYS B . n -B 2 229 SER 229 207 207 SER SER B . n -B 2 230 TRP 230 208 208 TRP TRP B . n -B 2 231 TYR 231 209 209 TYR TYR B . n -B 2 232 SER 232 210 210 SER SER B . n -B 2 233 VAL 233 211 211 VAL VAL B . n -B 2 234 PRO 234 212 212 PRO PRO B . n -B 2 235 PRO 235 213 213 PRO PRO B . n -B 2 236 GLU 236 214 214 GLU GLU B . n -B 2 237 HIS 237 215 215 HIS HIS B . n -B 2 238 GLY 238 216 216 GLY GLY B . n -B 2 239 LYS 239 217 217 LYS LYS B . n -B 2 240 ARG 240 218 218 ARG ARG B . n -B 2 241 LEU 241 219 219 LEU LEU B . n -B 2 242 GLU 242 220 220 GLU GLU B . n -B 2 243 ARG 243 221 221 ARG ARG B . n -B 2 244 LEU 244 222 222 LEU LEU B . n -B 2 245 ALA 245 223 223 ALA ALA B . n -B 2 246 LYS 246 224 224 LYS LYS B . n -B 2 247 GLY 247 225 225 GLY GLY B . n -B 2 248 PHE 248 226 226 PHE PHE B . n -B 2 249 PHE 249 227 227 PHE PHE B . n -B 2 250 PRO 250 228 228 PRO PRO B . n -B 2 251 GLY 251 229 229 GLY GLY B . n -B 2 252 SER 252 230 230 SER SER B . n -B 2 253 ALA 253 231 231 ALA ALA B . n -B 2 254 GLU 254 232 232 GLU GLU B . n -B 2 255 SER 255 233 233 SER SER B . n -B 2 256 CYS 256 234 234 CYS CYS B . n -B 2 257 GLU 257 235 235 GLU GLU B . n -B 2 258 ALA 258 236 236 ALA ALA B . n -B 2 259 PHE 259 237 237 PHE PHE B . n -B 2 260 LEU 260 238 238 LEU LEU B . n -B 2 261 ARG 261 239 239 ARG ARG B . n -B 2 262 HIS 262 240 240 HIS HIS B . n -B 2 263 LYS 263 241 241 LYS LYS B . n -B 2 264 MET 264 242 242 MET MET B . n -B 2 265 THR 265 243 243 THR THR B . n -B 2 266 LEU 266 244 244 LEU LEU B . n -B 2 267 ILE 267 245 245 ILE ILE B . n -B 2 268 SER 268 246 246 SER SER B . n -B 2 269 PRO 269 247 247 PRO PRO B . n -B 2 270 LEU 270 248 248 LEU LEU B . n -B 2 271 MET 271 249 249 MET MET B . n -B 2 272 LEU 272 250 250 LEU LEU B . n -B 2 273 LYS 273 251 251 LYS LYS B . n -B 2 274 LYS 274 252 252 LYS LYS B . n -B 2 275 TYR 275 253 253 TYR TYR B . n -B 2 276 GLY 276 254 254 GLY GLY B . n -B 2 277 ILE 277 255 255 ILE ILE B . n -B 2 278 PRO 278 256 256 PRO PRO B . n -B 2 279 PHE 279 257 257 PHE PHE B . n -B 2 280 ASP 280 258 258 ASP ASP B . n -B 2 281 LYS 281 259 259 LYS LYS B . n -B 2 282 VAL 282 260 260 VAL VAL B . n -B 2 283 THR 283 261 261 THR THR B . n -B 2 284 GLN 284 262 262 GLN GLN B . n -B 2 285 GLU 285 263 263 GLU GLU B . n -B 2 286 ALA 286 264 264 ALA ALA B . n -B 2 287 GLY 287 265 265 GLY GLY B . n -B 2 288 GLU 288 266 266 GLU GLU B . n -B 2 289 PHE 289 267 267 PHE PHE B . n -B 2 290 MET 290 268 268 MET MET B . n -B 2 291 ILE 291 269 269 ILE ILE B . n -B 2 292 THR 292 270 270 THR THR B . n -B 2 293 PHE 293 271 271 PHE PHE B . n -B 2 294 PRO 294 272 272 PRO PRO B . n -B 2 295 TYR 295 273 273 TYR TYR B . n -B 2 296 GLY 296 274 274 GLY GLY B . n -B 2 297 TYR 297 275 275 TYR TYR B . n -B 2 298 HIS 298 276 276 HIS HIS B . n -B 2 299 ALA 299 277 277 ALA ALA B . n -B 2 300 GLY 300 278 278 GLY GLY B . n -B 2 301 PHE 301 279 279 PHE PHE B . n -B 2 302 ASN 302 280 280 ASN ASN B . n -B 2 303 HIS 303 281 281 HIS HIS B . n -B 2 304 GLY 304 282 282 GLY GLY B . n -B 2 305 PHE 305 283 283 PHE PHE B . n -B 2 306 ASN 306 284 284 ASN ASN B . n -B 2 307 CYS 307 285 285 CYS CYS B . n -B 2 308 ALA 308 286 286 ALA ALA B . n -B 2 309 GLU 309 287 287 GLU GLU B . n -B 2 310 SER 310 288 288 SER SER B . n -B 2 311 THR 311 289 289 THR THR B . n -B 2 312 ASN 312 290 290 ASN ASN B . n -B 2 313 PHE 313 291 291 PHE PHE B . n -B 2 314 ALA 314 292 292 ALA ALA B . n -B 2 315 THR 315 293 293 THR THR B . n -B 2 316 ARG 316 294 294 ARG ARG B . n -B 2 317 ARG 317 295 295 ARG ARG B . n -B 2 318 TRP 318 296 296 TRP TRP B . n -B 2 319 ILE 319 297 297 ILE ILE B . n -B 2 320 GLU 320 298 298 GLU GLU B . n -B 2 321 TYR 321 299 299 TYR TYR B . n -B 2 322 GLY 322 300 300 GLY GLY B . n -B 2 323 LYS 323 301 301 LYS LYS B . n -B 2 324 GLN 324 302 302 GLN GLN B . n -B 2 325 ALA 325 303 303 ALA ALA B . n -B 2 326 VAL 326 304 304 VAL VAL B . n -B 2 327 LEU 327 305 305 LEU LEU B . n -B 2 328 CYS 328 306 306 CYS CYS B . n -B 2 329 SER 329 307 307 SER SER B . n -B 2 330 CYS 330 308 308 CYS CYS B . n -B 2 331 ARG 331 309 309 ARG ARG B . n -B 2 332 LYS 332 310 310 LYS LYS B . n -B 2 333 ASP 333 311 311 ASP ASP B . n -B 2 334 MET 334 312 312 MET MET B . n -B 2 335 VAL 335 313 313 VAL VAL B . n -B 2 336 LYS 336 314 314 LYS LYS B . n -B 2 337 ILE 337 315 315 ILE ILE B . n -B 2 338 SER 338 316 316 SER SER B . n -B 2 339 MET 339 317 317 MET MET B . n -B 2 340 ASP 340 318 318 ASP ASP B . n -B 2 341 VAL 341 319 319 VAL VAL B . n -B 2 342 PHE 342 320 320 PHE PHE B . n -B 2 343 VAL 343 321 321 VAL VAL B . n -B 2 344 ARG 344 322 322 ARG ARG B . n -B 2 345 LYS 345 323 323 LYS LYS B . n -B 2 346 PHE 346 324 324 PHE PHE B . n -B 2 347 GLN 347 325 325 GLN GLN B . n -B 2 348 PRO 348 326 326 PRO PRO B . n -B 2 349 GLU 349 327 327 GLU GLU B . n -B 2 350 ARG 350 328 328 ARG ARG B . n -B 2 351 TYR 351 329 329 TYR TYR B . n -B 2 352 LYS 352 330 330 LYS LYS B . n -B 2 353 LEU 353 331 331 LEU LEU B . n -B 2 354 TRP 354 332 332 TRP TRP B . n -B 2 355 LYS 355 333 333 LYS LYS B . n -B 2 356 ALA 356 334 334 ALA ALA B . n -B 2 357 GLY 357 335 335 GLY GLY B . n -B 2 358 LYS 358 336 336 LYS LYS B . n -B 2 359 ASP 359 337 337 ASP ASP B . n -B 2 360 ASN 360 338 338 ASN ASN B . n -B 2 361 THR 361 339 339 THR THR B . n -B 2 362 VAL 362 340 340 VAL VAL B . n -B 2 363 ILE 363 341 341 ILE ILE B . n -B 2 364 ASP 364 342 342 ASP ASP B . n -B 2 365 HIS 365 343 343 HIS HIS B . n -B 2 366 THR 366 344 344 THR THR B . n -B 2 367 LEU 367 345 345 LEU LEU B . n -B 2 368 PRO 368 346 346 PRO PRO B . n -B 2 369 THR 369 347 347 THR THR B . n -B 2 370 PRO 370 348 348 PRO PRO B . n -B 2 371 GLU 371 349 349 GLU GLU B . n -B 2 372 ALA 372 350 350 ALA ALA B . n -B 2 373 ALA 373 351 351 ALA ALA B . n -B 2 374 GLU 374 352 352 GLU GLU B . n -B 2 375 PHE 375 353 353 PHE PHE B . n -B 2 376 LEU 376 354 ? ? ? B . n -B 2 377 LYS 377 355 ? ? ? B . n -B 2 378 GLU 378 356 ? ? ? B . n -B 2 379 SER 379 357 ? ? ? B . n -B 2 380 GLU 380 358 ? ? ? B . n -B 2 381 LEU 381 359 ? ? ? B . n -# -loop_ -_pdbx_nonpoly_scheme.asym_id -_pdbx_nonpoly_scheme.entity_id -_pdbx_nonpoly_scheme.mon_id -_pdbx_nonpoly_scheme.ndb_seq_num -_pdbx_nonpoly_scheme.pdb_seq_num -_pdbx_nonpoly_scheme.auth_seq_num -_pdbx_nonpoly_scheme.pdb_mon_id -_pdbx_nonpoly_scheme.auth_mon_id -_pdbx_nonpoly_scheme.pdb_strand_id -_pdbx_nonpoly_scheme.pdb_ins_code -C 3 SO4 1 1354 1354 SO4 SO4 A . -D 4 35M 1 1355 1355 35M 35M A . -E 5 MN 1 1356 1356 MN MN A . -F 6 ZN 1 1357 1357 ZN ZN A . -G 7 EDO 1 1358 1358 EDO EDO A . -H 7 EDO 1 1359 1359 EDO EDO A . -I 8 DMS 1 1360 1360 DMS DMS A . -J 3 SO4 1 1354 1354 SO4 SO4 B . -K 4 35M 1 1355 1355 35M 35M B . -L 5 MN 1 1356 1356 MN MN B . -M 6 ZN 1 1357 1357 ZN ZN B . -N 7 EDO 1 1358 1358 EDO EDO B . -O 7 EDO 1 1359 1359 EDO EDO B . -P 7 EDO 1 1360 1360 EDO EDO B . -Q 8 DMS 1 1361 1361 DMS DMS B . -R 9 HOH 1 2001 2001 HOH HOH A . -R 9 HOH 2 2002 2002 HOH HOH A . -R 9 HOH 3 2003 2003 HOH HOH A . -R 9 HOH 4 2004 2004 HOH HOH A . -R 9 HOH 5 2005 2005 HOH HOH A . -R 9 HOH 6 2006 2006 HOH HOH A . -R 9 HOH 7 2007 2007 HOH HOH A . -R 9 HOH 8 2008 2008 HOH HOH A . -R 9 HOH 9 2009 2009 HOH HOH A . -R 9 HOH 10 2010 2010 HOH HOH A . -R 9 HOH 11 2011 2011 HOH HOH A . -R 9 HOH 12 2012 2012 HOH HOH A . -R 9 HOH 13 2013 2013 HOH HOH A . -R 9 HOH 14 2014 2014 HOH HOH A . -R 9 HOH 15 2015 2015 HOH HOH A . -R 9 HOH 16 2016 2016 HOH HOH A . -R 9 HOH 17 2017 2017 HOH HOH A . -R 9 HOH 18 2018 2018 HOH HOH A . -R 9 HOH 19 2019 2019 HOH HOH A . -R 9 HOH 20 2020 2020 HOH HOH A . -R 9 HOH 21 2021 2021 HOH HOH A . -R 9 HOH 22 2022 2022 HOH HOH A . -R 9 HOH 23 2023 2023 HOH HOH A . -R 9 HOH 24 2024 2024 HOH HOH A . -R 9 HOH 25 2025 2025 HOH HOH A . -R 9 HOH 26 2026 2026 HOH HOH A . -R 9 HOH 27 2027 2027 HOH HOH A . -R 9 HOH 28 2028 2028 HOH HOH A . -R 9 HOH 29 2029 2029 HOH HOH A . -R 9 HOH 30 2030 2030 HOH HOH A . -R 9 HOH 31 2031 2031 HOH HOH A . -R 9 HOH 32 2032 2032 HOH HOH A . -R 9 HOH 33 2033 2033 HOH HOH A . -R 9 HOH 34 2034 2034 HOH HOH A . -R 9 HOH 35 2035 2035 HOH HOH A . -R 9 HOH 36 2036 2036 HOH HOH A . -R 9 HOH 37 2037 2037 HOH HOH A . -R 9 HOH 38 2038 2038 HOH HOH A . -R 9 HOH 39 2039 2039 HOH HOH A . -S 9 HOH 1 2001 2001 HOH HOH B . -S 9 HOH 2 2002 2002 HOH HOH B . -S 9 HOH 3 2003 2003 HOH HOH B . -S 9 HOH 4 2004 2004 HOH HOH B . -S 9 HOH 5 2005 2005 HOH HOH B . -S 9 HOH 6 2006 2006 HOH HOH B . -S 9 HOH 7 2007 2007 HOH HOH B . -S 9 HOH 8 2008 2008 HOH HOH B . -S 9 HOH 9 2009 2009 HOH HOH B . -S 9 HOH 10 2010 2010 HOH HOH B . -S 9 HOH 11 2011 2011 HOH HOH B . -S 9 HOH 12 2012 2012 HOH HOH B . -S 9 HOH 13 2013 2013 HOH HOH B . -S 9 HOH 14 2014 2014 HOH HOH B . -S 9 HOH 15 2015 2015 HOH HOH B . -S 9 HOH 16 2016 2016 HOH HOH B . -S 9 HOH 17 2017 2017 HOH HOH B . -S 9 HOH 18 2018 2018 HOH HOH B . -S 9 HOH 19 2019 2019 HOH HOH B . -S 9 HOH 20 2020 2020 HOH HOH B . -S 9 HOH 21 2021 2021 HOH HOH B . -S 9 HOH 22 2022 2022 HOH HOH B . -S 9 HOH 23 2023 2023 HOH HOH B . -S 9 HOH 24 2024 2024 HOH HOH B . -S 9 HOH 25 2025 2025 HOH HOH B . -S 9 HOH 26 2026 2026 HOH HOH B . -S 9 HOH 27 2027 2027 HOH HOH B . -S 9 HOH 28 2028 2028 HOH HOH B . -S 9 HOH 29 2029 2029 HOH HOH B . -S 9 HOH 30 2030 2030 HOH HOH B . -S 9 HOH 31 2031 2031 HOH HOH B . -S 9 HOH 32 2032 2032 HOH HOH B . -S 9 HOH 33 2033 2033 HOH HOH B . -S 9 HOH 34 2034 2034 HOH HOH B . -S 9 HOH 35 2035 2035 HOH HOH B . -S 9 HOH 36 2036 2036 HOH HOH B . -# -loop_ -_pdbx_struct_assembly.id -_pdbx_struct_assembly.details -_pdbx_struct_assembly.method_details -_pdbx_struct_assembly.oligomeric_details -_pdbx_struct_assembly.oligomeric_count -1 author_and_software_defined_assembly PISA monomeric 1 -2 author_and_software_defined_assembly PISA monomeric 1 -# -loop_ -_pdbx_struct_assembly_gen.assembly_id -_pdbx_struct_assembly_gen.oper_expression -_pdbx_struct_assembly_gen.asym_id_list -1 1 A,C,D,E,F,G,H,I,R -2 1 B,J,K,L,M,N,O,P,Q,S -# -_pdbx_struct_oper_list.id 1 -_pdbx_struct_oper_list.type 'identity operation' -_pdbx_struct_oper_list.name 1_555 -_pdbx_struct_oper_list.symmetry_operation x,y,z -_pdbx_struct_oper_list.matrix[1][1] 1.0000000000 -_pdbx_struct_oper_list.matrix[1][2] 0.0000000000 -_pdbx_struct_oper_list.matrix[1][3] 0.0000000000 -_pdbx_struct_oper_list.vector[1] 0.0000000000 -_pdbx_struct_oper_list.matrix[2][1] 0.0000000000 -_pdbx_struct_oper_list.matrix[2][2] 1.0000000000 -_pdbx_struct_oper_list.matrix[2][3] 0.0000000000 -_pdbx_struct_oper_list.vector[2] 0.0000000000 -_pdbx_struct_oper_list.matrix[3][1] 0.0000000000 -_pdbx_struct_oper_list.matrix[3][2] 0.0000000000 -_pdbx_struct_oper_list.matrix[3][3] 1.0000000000 -_pdbx_struct_oper_list.vector[3] 0.0000000000 -# -loop_ -_pdbx_struct_conn_angle.id -_pdbx_struct_conn_angle.ptnr1_label_atom_id -_pdbx_struct_conn_angle.ptnr1_label_alt_id -_pdbx_struct_conn_angle.ptnr1_label_asym_id -_pdbx_struct_conn_angle.ptnr1_label_comp_id -_pdbx_struct_conn_angle.ptnr1_label_seq_id -_pdbx_struct_conn_angle.ptnr1_auth_atom_id -_pdbx_struct_conn_angle.ptnr1_auth_asym_id -_pdbx_struct_conn_angle.ptnr1_auth_comp_id -_pdbx_struct_conn_angle.ptnr1_auth_seq_id -_pdbx_struct_conn_angle.ptnr1_PDB_ins_code -_pdbx_struct_conn_angle.ptnr1_symmetry -_pdbx_struct_conn_angle.ptnr2_label_atom_id -_pdbx_struct_conn_angle.ptnr2_label_alt_id -_pdbx_struct_conn_angle.ptnr2_label_asym_id -_pdbx_struct_conn_angle.ptnr2_label_comp_id -_pdbx_struct_conn_angle.ptnr2_label_seq_id -_pdbx_struct_conn_angle.ptnr2_auth_atom_id -_pdbx_struct_conn_angle.ptnr2_auth_asym_id -_pdbx_struct_conn_angle.ptnr2_auth_comp_id -_pdbx_struct_conn_angle.ptnr2_auth_seq_id -_pdbx_struct_conn_angle.ptnr2_PDB_ins_code -_pdbx_struct_conn_angle.ptnr2_symmetry -_pdbx_struct_conn_angle.ptnr3_label_atom_id -_pdbx_struct_conn_angle.ptnr3_label_alt_id -_pdbx_struct_conn_angle.ptnr3_label_asym_id -_pdbx_struct_conn_angle.ptnr3_label_comp_id -_pdbx_struct_conn_angle.ptnr3_label_seq_id -_pdbx_struct_conn_angle.ptnr3_auth_atom_id -_pdbx_struct_conn_angle.ptnr3_auth_asym_id -_pdbx_struct_conn_angle.ptnr3_auth_comp_id -_pdbx_struct_conn_angle.ptnr3_auth_seq_id -_pdbx_struct_conn_angle.ptnr3_PDB_ins_code -_pdbx_struct_conn_angle.ptnr3_symmetry -_pdbx_struct_conn_angle.value -_pdbx_struct_conn_angle.value_esd -1 O2 ? D 35M . ? A 35M 1355 ? 1_555 MN ? E MN . ? A MN 1356 ? 1_555 N1 ? D 35M . ? A 35M 1355 ? 1_555 67.9 ? -2 O2 ? D 35M . ? A 35M 1355 ? 1_555 MN ? E MN . ? A MN 1356 ? 1_555 NE2 ? A HIS 298 ? A HIS 276 ? 1_555 161.7 ? -3 N1 ? D 35M . ? A 35M 1355 ? 1_555 MN ? E MN . ? A MN 1356 ? 1_555 NE2 ? A HIS 298 ? A HIS 276 ? 1_555 112.8 ? -4 O2 ? D 35M . ? A 35M 1355 ? 1_555 MN ? E MN . ? A MN 1356 ? 1_555 O ? R HOH . ? A HOH 2019 ? 1_555 82.6 ? -5 N1 ? D 35M . ? A 35M 1355 ? 1_555 MN ? E MN . ? A MN 1356 ? 1_555 O ? R HOH . ? A HOH 2019 ? 1_555 73.9 ? -6 NE2 ? A HIS 298 ? A HIS 276 ? 1_555 MN ? E MN . ? A MN 1356 ? 1_555 O ? R HOH . ? A HOH 2019 ? 1_555 80.2 ? -7 O2 ? D 35M . ? A 35M 1355 ? 1_555 MN ? E MN . ? A MN 1356 ? 1_555 NE2 ? A HIS 210 ? A HIS 188 ? 1_555 94.7 ? -8 N1 ? D 35M . ? A 35M 1355 ? 1_555 MN ? E MN . ? A MN 1356 ? 1_555 NE2 ? A HIS 210 ? A HIS 188 ? 1_555 95.1 ? -9 NE2 ? A HIS 298 ? A HIS 276 ? 1_555 MN ? E MN . ? A MN 1356 ? 1_555 NE2 ? A HIS 210 ? A HIS 188 ? 1_555 103.4 ? -10 O ? R HOH . ? A HOH 2019 ? 1_555 MN ? E MN . ? A MN 1356 ? 1_555 NE2 ? A HIS 210 ? A HIS 188 ? 1_555 168.9 ? -11 O2 ? D 35M . ? A 35M 1355 ? 1_555 MN ? E MN . ? A MN 1356 ? 1_555 OE2 ? A GLU 212 ? A GLU 190 ? 1_555 77.3 ? -12 N1 ? D 35M . ? A 35M 1355 ? 1_555 MN ? E MN . ? A MN 1356 ? 1_555 OE2 ? A GLU 212 ? A GLU 190 ? 1_555 135.5 ? -13 NE2 ? A HIS 298 ? A HIS 276 ? 1_555 MN ? E MN . ? A MN 1356 ? 1_555 OE2 ? A GLU 212 ? A GLU 190 ? 1_555 92.1 ? -14 O ? R HOH . ? A HOH 2019 ? 1_555 MN ? E MN . ? A MN 1356 ? 1_555 OE2 ? A GLU 212 ? A GLU 190 ? 1_555 74.8 ? -15 NE2 ? A HIS 210 ? A HIS 188 ? 1_555 MN ? E MN . ? A MN 1356 ? 1_555 OE2 ? A GLU 212 ? A GLU 190 ? 1_555 115.2 ? -16 SG ? A CYS 330 ? A CYS 308 ? 1_555 ZN ? F ZN . ? A ZN 1357 ? 1_555 SG ? A CYS 328 ? A CYS 306 ? 1_555 112.8 ? -17 SG ? A CYS 330 ? A CYS 308 ? 1_555 ZN ? F ZN . ? A ZN 1357 ? 1_555 NE2 ? A HIS 262 ? A HIS 240 ? 1_555 106.2 ? -18 SG ? A CYS 328 ? A CYS 306 ? 1_555 ZN ? F ZN . ? A ZN 1357 ? 1_555 NE2 ? A HIS 262 ? A HIS 240 ? 1_555 95.3 ? -19 SG ? A CYS 330 ? A CYS 308 ? 1_555 ZN ? F ZN . ? A ZN 1357 ? 1_555 SG ? A CYS 256 ? A CYS 234 ? 1_555 116.1 ? -20 SG ? A CYS 328 ? A CYS 306 ? 1_555 ZN ? F ZN . ? A ZN 1357 ? 1_555 SG ? A CYS 256 ? A CYS 234 ? 1_555 111.3 ? -21 NE2 ? A HIS 262 ? A HIS 240 ? 1_555 ZN ? F ZN . ? A ZN 1357 ? 1_555 SG ? A CYS 256 ? A CYS 234 ? 1_555 113.3 ? -22 N1 ? K 35M . ? B 35M 1355 ? 1_555 MN ? L MN . ? B MN 1356 ? 1_555 O2 ? K 35M . ? B 35M 1355 ? 1_555 77.8 ? -23 N1 ? K 35M . ? B 35M 1355 ? 1_555 MN ? L MN . ? B MN 1356 ? 1_555 O ? S HOH . ? B HOH 2022 ? 1_555 69.7 ? -24 O2 ? K 35M . ? B 35M 1355 ? 1_555 MN ? L MN . ? B MN 1356 ? 1_555 O ? S HOH . ? B HOH 2022 ? 1_555 89.7 ? -25 N1 ? K 35M . ? B 35M 1355 ? 1_555 MN ? L MN . ? B MN 1356 ? 1_555 NE2 ? B HIS 298 ? B HIS 276 ? 1_555 109.5 ? -26 O2 ? K 35M . ? B 35M 1355 ? 1_555 MN ? L MN . ? B MN 1356 ? 1_555 NE2 ? B HIS 298 ? B HIS 276 ? 1_555 164.0 ? -27 O ? S HOH . ? B HOH 2022 ? 1_555 MN ? L MN . ? B MN 1356 ? 1_555 NE2 ? B HIS 298 ? B HIS 276 ? 1_555 80.0 ? -28 N1 ? K 35M . ? B 35M 1355 ? 1_555 MN ? L MN . ? B MN 1356 ? 1_555 OE2 ? B GLU 212 ? B GLU 190 ? 1_555 135.9 ? -29 O2 ? K 35M . ? B 35M 1355 ? 1_555 MN ? L MN . ? B MN 1356 ? 1_555 OE2 ? B GLU 212 ? B GLU 190 ? 1_555 79.1 ? -30 O ? S HOH . ? B HOH 2022 ? 1_555 MN ? L MN . ? B MN 1356 ? 1_555 OE2 ? B GLU 212 ? B GLU 190 ? 1_555 73.2 ? -31 NE2 ? B HIS 298 ? B HIS 276 ? 1_555 MN ? L MN . ? B MN 1356 ? 1_555 OE2 ? B GLU 212 ? B GLU 190 ? 1_555 86.2 ? -32 N1 ? K 35M . ? B 35M 1355 ? 1_555 MN ? L MN . ? B MN 1356 ? 1_555 NE2 ? B HIS 210 ? B HIS 188 ? 1_555 103.6 ? -33 O2 ? K 35M . ? B 35M 1355 ? 1_555 MN ? L MN . ? B MN 1356 ? 1_555 NE2 ? B HIS 210 ? B HIS 188 ? 1_555 99.3 ? -34 O ? S HOH . ? B HOH 2022 ? 1_555 MN ? L MN . ? B MN 1356 ? 1_555 NE2 ? B HIS 210 ? B HIS 188 ? 1_555 167.5 ? -35 NE2 ? B HIS 298 ? B HIS 276 ? 1_555 MN ? L MN . ? B MN 1356 ? 1_555 NE2 ? B HIS 210 ? B HIS 188 ? 1_555 92.9 ? -36 OE2 ? B GLU 212 ? B GLU 190 ? 1_555 MN ? L MN . ? B MN 1356 ? 1_555 NE2 ? B HIS 210 ? B HIS 188 ? 1_555 116.9 ? -37 SG ? B CYS 330 ? B CYS 308 ? 1_555 ZN ? M ZN . ? B ZN 1357 ? 1_555 NE2 ? B HIS 262 ? B HIS 240 ? 1_555 100.0 ? -38 SG ? B CYS 330 ? B CYS 308 ? 1_555 ZN ? M ZN . ? B ZN 1357 ? 1_555 SG ? B CYS 256 ? B CYS 234 ? 1_555 118.0 ? -39 NE2 ? B HIS 262 ? B HIS 240 ? 1_555 ZN ? M ZN . ? B ZN 1357 ? 1_555 SG ? B CYS 256 ? B CYS 234 ? 1_555 111.8 ? -40 SG ? B CYS 330 ? B CYS 308 ? 1_555 ZN ? M ZN . ? B ZN 1357 ? 1_555 SG ? B CYS 328 ? B CYS 306 ? 1_555 112.7 ? -41 NE2 ? B HIS 262 ? B HIS 240 ? 1_555 ZN ? M ZN . ? B ZN 1357 ? 1_555 SG ? B CYS 328 ? B CYS 306 ? 1_555 99.8 ? -42 SG ? B CYS 256 ? B CYS 234 ? 1_555 ZN ? M ZN . ? B ZN 1357 ? 1_555 SG ? B CYS 328 ? B CYS 306 ? 1_555 112.3 ? -# -loop_ -_pdbx_audit_revision_history.ordinal -_pdbx_audit_revision_history.data_content_type -_pdbx_audit_revision_history.major_revision -_pdbx_audit_revision_history.minor_revision -_pdbx_audit_revision_history.revision_date -1 'Structure model' 1 0 2016-01-13 -2 'Structure model' 1 1 2016-03-09 -3 'Structure model' 1 2 2018-01-24 -# -_pdbx_audit_revision_details.ordinal 1 -_pdbx_audit_revision_details.revision_ordinal 1 -_pdbx_audit_revision_details.data_content_type 'Structure model' -_pdbx_audit_revision_details.provider repository -_pdbx_audit_revision_details.type 'Initial release' -_pdbx_audit_revision_details.description ? -# -loop_ -_pdbx_audit_revision_group.ordinal -_pdbx_audit_revision_group.revision_ordinal -_pdbx_audit_revision_group.data_content_type -_pdbx_audit_revision_group.group -1 2 'Structure model' 'Database references' -2 3 'Structure model' 'Structure summary' -# -_pdbx_audit_revision_category.ordinal 1 -_pdbx_audit_revision_category.revision_ordinal 3 -_pdbx_audit_revision_category.data_content_type 'Structure model' -_pdbx_audit_revision_category.category audit_author -# -_pdbx_audit_revision_item.ordinal 1 -_pdbx_audit_revision_item.revision_ordinal 3 -_pdbx_audit_revision_item.data_content_type 'Structure model' -_pdbx_audit_revision_item.item '_audit_author.name' -# -loop_ -_software.name -_software.classification -_software.version -_software.citation_id -_software.pdbx_ordinal -_software.date -_software.type -_software.location -_software.language -PHENIX refinement '(PHENIX.REFINE)' ? 1 ? ? ? ? -XDS 'data reduction' . ? 2 ? ? ? ? -SCALA 'data scaling' . ? 3 ? ? ? ? -PHENIX phasing . ? 4 ? ? ? ? -# -loop_ -_pdbx_validate_close_contact.id -_pdbx_validate_close_contact.PDB_model_num -_pdbx_validate_close_contact.auth_atom_id_1 -_pdbx_validate_close_contact.auth_asym_id_1 -_pdbx_validate_close_contact.auth_comp_id_1 -_pdbx_validate_close_contact.auth_seq_id_1 -_pdbx_validate_close_contact.PDB_ins_code_1 -_pdbx_validate_close_contact.label_alt_id_1 -_pdbx_validate_close_contact.auth_atom_id_2 -_pdbx_validate_close_contact.auth_asym_id_2 -_pdbx_validate_close_contact.auth_comp_id_2 -_pdbx_validate_close_contact.auth_seq_id_2 -_pdbx_validate_close_contact.PDB_ins_code_2 -_pdbx_validate_close_contact.label_alt_id_2 -_pdbx_validate_close_contact.dist -1 1 O B HOH 2033 ? ? O B HOH 2034 ? ? 2.09 -2 1 OH B TYR 111 ? ? O B HOH 2014 ? ? 2.16 -# -loop_ -_pdbx_validate_torsion.id -_pdbx_validate_torsion.PDB_model_num -_pdbx_validate_torsion.auth_comp_id -_pdbx_validate_torsion.auth_asym_id -_pdbx_validate_torsion.auth_seq_id -_pdbx_validate_torsion.PDB_ins_code -_pdbx_validate_torsion.label_alt_id -_pdbx_validate_torsion.phi -_pdbx_validate_torsion.psi -1 1 SER A 103 ? ? -48.69 153.89 -2 1 SER A 112 ? ? -87.80 -89.40 -3 1 ASN A 128 ? ? 37.46 67.85 -4 1 SER A 164 ? ? -153.69 -8.12 -5 1 VAL A 171 ? ? -95.59 -65.98 -6 1 LYS A 182 ? ? 77.71 -2.63 -7 1 ASN A 338 ? ? -96.88 37.08 -8 1 SER B 103 ? ? -48.19 154.97 -9 1 SER B 112 ? ? -87.19 -89.27 -10 1 ARG B 154 ? ? -105.85 69.27 -11 1 LYS B 182 ? ? 79.93 -1.80 -12 1 ASN B 338 ? ? -97.06 37.30 -# -loop_ -_pdbx_unobs_or_zero_occ_atoms.id -_pdbx_unobs_or_zero_occ_atoms.PDB_model_num -_pdbx_unobs_or_zero_occ_atoms.polymer_flag -_pdbx_unobs_or_zero_occ_atoms.occupancy_flag -_pdbx_unobs_or_zero_occ_atoms.auth_asym_id -_pdbx_unobs_or_zero_occ_atoms.auth_comp_id -_pdbx_unobs_or_zero_occ_atoms.auth_seq_id -_pdbx_unobs_or_zero_occ_atoms.PDB_ins_code -_pdbx_unobs_or_zero_occ_atoms.auth_atom_id -_pdbx_unobs_or_zero_occ_atoms.label_alt_id -_pdbx_unobs_or_zero_occ_atoms.label_asym_id -_pdbx_unobs_or_zero_occ_atoms.label_comp_id -_pdbx_unobs_or_zero_occ_atoms.label_seq_id -_pdbx_unobs_or_zero_occ_atoms.label_atom_id -1 1 Y 1 A LEU 8 ? N ? A LEU 30 N -2 1 Y 1 A LEU 8 ? CA ? A LEU 30 CA -3 1 Y 1 A LEU 8 ? CB ? A LEU 30 CB -4 1 Y 1 A LEU 8 ? CG ? A LEU 30 CG -5 1 Y 1 A LEU 8 ? CD1 ? A LEU 30 CD1 -6 1 Y 1 A LEU 8 ? CD2 ? A LEU 30 CD2 -7 1 Y 1 A ARG 13 ? NE ? A ARG 35 NE -8 1 Y 1 A ARG 13 ? CZ ? A ARG 35 CZ -9 1 Y 1 A ARG 13 ? NH1 ? A ARG 35 NH1 -10 1 Y 1 A ARG 13 ? NH2 ? A ARG 35 NH2 -11 1 Y 1 A GLU 22 ? CG ? A GLU 44 CG -12 1 Y 1 A GLU 22 ? CD ? A GLU 44 CD -13 1 Y 1 A GLU 22 ? OE1 ? A GLU 44 OE1 -14 1 Y 1 A GLU 22 ? OE2 ? A GLU 44 OE2 -15 1 Y 1 A ARG 25 ? CG ? A ARG 47 CG -16 1 Y 1 A ARG 25 ? CD ? A ARG 47 CD -17 1 Y 1 A ARG 25 ? NE ? A ARG 47 NE -18 1 Y 1 A ARG 25 ? CZ ? A ARG 47 CZ -19 1 Y 1 A ARG 25 ? NH1 ? A ARG 47 NH1 -20 1 Y 1 A ARG 25 ? NH2 ? A ARG 47 NH2 -21 1 Y 1 A LYS 51 ? CG ? A LYS 73 CG -22 1 Y 1 A LYS 51 ? CD ? A LYS 73 CD -23 1 Y 1 A LYS 51 ? CE ? A LYS 73 CE -24 1 Y 1 A LYS 51 ? NZ ? A LYS 73 NZ -25 1 Y 1 A GLU 52 ? CG ? A GLU 74 CG -26 1 Y 1 A GLU 52 ? CD ? A GLU 74 CD -27 1 Y 1 A GLU 52 ? OE1 ? A GLU 74 OE1 -28 1 Y 1 A GLU 52 ? OE2 ? A GLU 74 OE2 -29 1 Y 1 A LYS 54 ? CG ? A LYS 76 CG -30 1 Y 1 A LYS 54 ? CD ? A LYS 76 CD -31 1 Y 1 A LYS 54 ? CE ? A LYS 76 CE -32 1 Y 1 A LYS 54 ? NZ ? A LYS 76 NZ -33 1 Y 1 A ASP 61 ? CG ? A ASP 83 CG -34 1 Y 1 A ASP 61 ? OD1 ? A ASP 83 OD1 -35 1 Y 1 A ASP 61 ? OD2 ? A ASP 83 OD2 -36 1 Y 1 A ASP 63 ? CG ? A ASP 85 CG -37 1 Y 1 A ASP 63 ? OD1 ? A ASP 85 OD1 -38 1 Y 1 A ASP 63 ? OD2 ? A ASP 85 OD2 -39 1 Y 1 A ASP 64 ? CG ? A ASP 86 CG -40 1 Y 1 A ASP 64 ? OD1 ? A ASP 86 OD1 -41 1 Y 1 A ASP 64 ? OD2 ? A ASP 86 OD2 -42 1 Y 1 A LYS 89 ? CG ? A LYS 111 CG -43 1 Y 1 A LYS 89 ? CD ? A LYS 111 CD -44 1 Y 1 A LYS 89 ? CE ? A LYS 111 CE -45 1 Y 1 A LYS 89 ? NZ ? A LYS 111 NZ -46 1 Y 1 A ARG 95 ? CG ? A ARG 117 CG -47 1 Y 1 A ARG 95 ? CD ? A ARG 117 CD -48 1 Y 1 A ARG 95 ? NE ? A ARG 117 NE -49 1 Y 1 A ARG 95 ? CZ ? A ARG 117 CZ -50 1 Y 1 A ARG 95 ? NH1 ? A ARG 117 NH1 -51 1 Y 1 A ARG 95 ? NH2 ? A ARG 117 NH2 -52 1 Y 1 A LYS 99 ? CG ? A LYS 121 CG -53 1 Y 1 A LYS 99 ? CD ? A LYS 121 CD -54 1 Y 1 A LYS 99 ? CE ? A LYS 121 CE -55 1 Y 1 A LYS 99 ? NZ ? A LYS 121 NZ -56 1 Y 1 A ASP 104 ? CG ? A ASP 126 CG -57 1 Y 1 A ASP 104 ? OD1 ? A ASP 126 OD1 -58 1 Y 1 A ASP 104 ? OD2 ? A ASP 126 OD2 -59 1 Y 1 A ARG 110 ? CG ? A ARG 132 CG -60 1 Y 1 A ARG 110 ? CD ? A ARG 132 CD -61 1 Y 1 A ARG 110 ? NE ? A ARG 132 NE -62 1 Y 1 A ARG 110 ? CZ ? A ARG 132 CZ -63 1 Y 1 A ARG 110 ? NH1 ? A ARG 132 NH1 -64 1 Y 1 A ARG 110 ? NH2 ? A ARG 132 NH2 -65 1 Y 1 A SER 112 ? OG ? A SER 134 OG -66 1 Y 1 A GLU 113 ? CG ? A GLU 135 CG -67 1 Y 1 A GLU 113 ? CD ? A GLU 135 CD -68 1 Y 1 A GLU 113 ? OE1 ? A GLU 135 OE1 -69 1 Y 1 A GLU 113 ? OE2 ? A GLU 135 OE2 -70 1 Y 1 A GLU 115 ? CD ? A GLU 137 CD -71 1 Y 1 A GLU 115 ? OE1 ? A GLU 137 OE1 -72 1 Y 1 A GLU 115 ? OE2 ? A GLU 137 OE2 -73 1 Y 1 A LYS 120 ? CG ? A LYS 142 CG -74 1 Y 1 A LYS 120 ? CD ? A LYS 142 CD -75 1 Y 1 A LYS 120 ? CE ? A LYS 142 CE -76 1 Y 1 A LYS 120 ? NZ ? A LYS 142 NZ -77 1 Y 1 A LYS 123 ? CG ? A LYS 145 CG -78 1 Y 1 A LYS 123 ? CD ? A LYS 145 CD -79 1 Y 1 A LYS 123 ? CE ? A LYS 145 CE -80 1 Y 1 A LYS 123 ? NZ ? A LYS 145 NZ -81 1 Y 1 A GLU 142 ? CG ? A GLU 164 CG -82 1 Y 1 A GLU 142 ? CD ? A GLU 164 CD -83 1 Y 1 A GLU 142 ? OE1 ? A GLU 164 OE1 -84 1 Y 1 A GLU 142 ? OE2 ? A GLU 164 OE2 -85 1 Y 1 A LYS 143 ? CG ? A LYS 165 CG -86 1 Y 1 A LYS 143 ? CD ? A LYS 165 CD -87 1 Y 1 A LYS 143 ? CE ? A LYS 165 CE -88 1 Y 1 A LYS 143 ? NZ ? A LYS 165 NZ -89 1 Y 1 A VAL 145 ? CG1 ? A VAL 167 CG1 -90 1 Y 1 A VAL 145 ? CG2 ? A VAL 167 CG2 -91 1 Y 1 A ASP 146 ? CG ? A ASP 168 CG -92 1 Y 1 A ASP 146 ? OD1 ? A ASP 168 OD1 -93 1 Y 1 A ASP 146 ? OD2 ? A ASP 168 OD2 -94 1 Y 1 A ARG 154 ? CG ? A ARG 176 CG -95 1 Y 1 A ARG 154 ? CD ? A ARG 176 CD -96 1 Y 1 A ARG 154 ? NE ? A ARG 176 NE -97 1 Y 1 A ARG 154 ? CZ ? A ARG 176 CZ -98 1 Y 1 A ARG 154 ? NH1 ? A ARG 176 NH1 -99 1 Y 1 A ARG 154 ? NH2 ? A ARG 176 NH2 -100 1 Y 1 A GLU 161 ? OE1 ? A GLU 183 OE1 -101 1 Y 1 A GLU 161 ? OE2 ? A GLU 183 OE2 -102 1 Y 1 A LYS 162 ? CG ? A LYS 184 CG -103 1 Y 1 A LYS 162 ? CD ? A LYS 184 CD -104 1 Y 1 A LYS 162 ? CE ? A LYS 184 CE -105 1 Y 1 A LYS 162 ? NZ ? A LYS 184 NZ -106 1 Y 1 A GLU 169 ? CG ? A GLU 191 CG -107 1 Y 1 A GLU 169 ? CD ? A GLU 191 CD -108 1 Y 1 A GLU 169 ? OE1 ? A GLU 191 OE1 -109 1 Y 1 A GLU 169 ? OE2 ? A GLU 191 OE2 -110 1 Y 1 A GLU 235 ? CG ? A GLU 257 CG -111 1 Y 1 A GLU 235 ? CD ? A GLU 257 CD -112 1 Y 1 A GLU 235 ? OE1 ? A GLU 257 OE1 -113 1 Y 1 A GLU 235 ? OE2 ? A GLU 257 OE2 -114 1 Y 1 A LYS 252 ? CE ? A LYS 274 CE -115 1 Y 1 A LYS 252 ? NZ ? A LYS 274 NZ -116 1 Y 1 A GLU 263 ? CG ? A GLU 285 CG -117 1 Y 1 A GLU 263 ? CD ? A GLU 285 CD -118 1 Y 1 A GLU 263 ? OE1 ? A GLU 285 OE1 -119 1 Y 1 A GLU 263 ? OE2 ? A GLU 285 OE2 -120 1 Y 1 A GLU 266 ? CG ? A GLU 288 CG -121 1 Y 1 A GLU 266 ? CD ? A GLU 288 CD -122 1 Y 1 A GLU 266 ? OE1 ? A GLU 288 OE1 -123 1 Y 1 A GLU 266 ? OE2 ? A GLU 288 OE2 -124 1 Y 1 A LYS 310 ? CG ? A LYS 332 CG -125 1 Y 1 A LYS 310 ? CD ? A LYS 332 CD -126 1 Y 1 A LYS 310 ? CE ? A LYS 332 CE -127 1 Y 1 A LYS 310 ? NZ ? A LYS 332 NZ -128 1 Y 1 A ASP 311 ? CG ? A ASP 333 CG -129 1 Y 1 A ASP 311 ? OD1 ? A ASP 333 OD1 -130 1 Y 1 A ASP 311 ? OD2 ? A ASP 333 OD2 -131 1 Y 1 A VAL 313 ? CG1 ? A VAL 335 CG1 -132 1 Y 1 A VAL 313 ? CG2 ? A VAL 335 CG2 -133 1 Y 1 A ARG 322 ? CG ? A ARG 344 CG -134 1 Y 1 A ARG 322 ? CD ? A ARG 344 CD -135 1 Y 1 A ARG 322 ? NE ? A ARG 344 NE -136 1 Y 1 A ARG 322 ? CZ ? A ARG 344 CZ -137 1 Y 1 A ARG 322 ? NH1 ? A ARG 344 NH1 -138 1 Y 1 A ARG 322 ? NH2 ? A ARG 344 NH2 -139 1 Y 1 A LYS 330 ? CD ? A LYS 352 CD -140 1 Y 1 A LYS 330 ? CE ? A LYS 352 CE -141 1 Y 1 A LYS 330 ? NZ ? A LYS 352 NZ -142 1 Y 1 A THR 339 ? OG1 ? A THR 361 OG1 -143 1 Y 1 A THR 339 ? CG2 ? A THR 361 CG2 -144 1 Y 1 A LEU 345 ? CG ? A LEU 367 CG -145 1 Y 1 A LEU 345 ? CD1 ? A LEU 367 CD1 -146 1 Y 1 A LEU 345 ? CD2 ? A LEU 367 CD2 -147 1 Y 1 A GLU 349 ? CG ? A GLU 371 CG -148 1 Y 1 A GLU 349 ? CD ? A GLU 371 CD -149 1 Y 1 A GLU 349 ? OE1 ? A GLU 371 OE1 -150 1 Y 1 A GLU 349 ? OE2 ? A GLU 371 OE2 -151 1 Y 1 B MET 21 ? CG ? B MET 43 CG -152 1 Y 1 B MET 21 ? SD ? B MET 43 SD -153 1 Y 1 B MET 21 ? CE ? B MET 43 CE -154 1 Y 1 B GLU 22 ? CG ? B GLU 44 CG -155 1 Y 1 B GLU 22 ? CD ? B GLU 44 CD -156 1 Y 1 B GLU 22 ? OE1 ? B GLU 44 OE1 -157 1 Y 1 B GLU 22 ? OE2 ? B GLU 44 OE2 -158 1 Y 1 B ARG 25 ? CG ? B ARG 47 CG -159 1 Y 1 B ARG 25 ? CD ? B ARG 47 CD -160 1 Y 1 B ARG 25 ? NE ? B ARG 47 NE -161 1 Y 1 B ARG 25 ? CZ ? B ARG 47 CZ -162 1 Y 1 B ARG 25 ? NH1 ? B ARG 47 NH1 -163 1 Y 1 B ARG 25 ? NH2 ? B ARG 47 NH2 -164 1 Y 1 B ARG 29 ? CZ ? B ARG 51 CZ -165 1 Y 1 B ARG 29 ? NH1 ? B ARG 51 NH1 -166 1 Y 1 B ARG 29 ? NH2 ? B ARG 51 NH2 -167 1 Y 1 B LYS 51 ? CG ? B LYS 73 CG -168 1 Y 1 B LYS 51 ? CD ? B LYS 73 CD -169 1 Y 1 B LYS 51 ? CE ? B LYS 73 CE -170 1 Y 1 B LYS 51 ? NZ ? B LYS 73 NZ -171 1 Y 1 B GLU 52 ? CG ? B GLU 74 CG -172 1 Y 1 B GLU 52 ? CD ? B GLU 74 CD -173 1 Y 1 B GLU 52 ? OE1 ? B GLU 74 OE1 -174 1 Y 1 B GLU 52 ? OE2 ? B GLU 74 OE2 -175 1 Y 1 B LYS 54 ? CG ? B LYS 76 CG -176 1 Y 1 B LYS 54 ? CD ? B LYS 76 CD -177 1 Y 1 B LYS 54 ? CE ? B LYS 76 CE -178 1 Y 1 B LYS 54 ? NZ ? B LYS 76 NZ -179 1 Y 1 B ASP 60 ? CG ? B ASP 82 CG -180 1 Y 1 B ASP 60 ? OD1 ? B ASP 82 OD1 -181 1 Y 1 B ASP 60 ? OD2 ? B ASP 82 OD2 -182 1 Y 1 B ASP 63 ? CG ? B ASP 85 CG -183 1 Y 1 B ASP 63 ? OD1 ? B ASP 85 OD1 -184 1 Y 1 B ASP 63 ? OD2 ? B ASP 85 OD2 -185 1 Y 1 B ASP 64 ? CG ? B ASP 86 CG -186 1 Y 1 B ASP 64 ? OD1 ? B ASP 86 OD1 -187 1 Y 1 B ASP 64 ? OD2 ? B ASP 86 OD2 -188 1 Y 1 B LYS 90 ? CG ? B LYS 112 CG -189 1 Y 1 B LYS 90 ? CD ? B LYS 112 CD -190 1 Y 1 B LYS 90 ? CE ? B LYS 112 CE -191 1 Y 1 B LYS 90 ? NZ ? B LYS 112 NZ -192 1 Y 1 B GLU 96 ? CG ? B GLU 118 CG -193 1 Y 1 B GLU 96 ? CD ? B GLU 118 CD -194 1 Y 1 B GLU 96 ? OE1 ? B GLU 118 OE1 -195 1 Y 1 B GLU 96 ? OE2 ? B GLU 118 OE2 -196 1 Y 1 B LYS 99 ? CD ? B LYS 121 CD -197 1 Y 1 B LYS 99 ? CE ? B LYS 121 CE -198 1 Y 1 B LYS 99 ? NZ ? B LYS 121 NZ -199 1 Y 1 B ASP 104 ? CG ? B ASP 126 CG -200 1 Y 1 B ASP 104 ? OD1 ? B ASP 126 OD1 -201 1 Y 1 B ASP 104 ? OD2 ? B ASP 126 OD2 -202 1 Y 1 B ARG 110 ? CG ? B ARG 132 CG -203 1 Y 1 B ARG 110 ? CD ? B ARG 132 CD -204 1 Y 1 B ARG 110 ? NE ? B ARG 132 NE -205 1 Y 1 B ARG 110 ? CZ ? B ARG 132 CZ -206 1 Y 1 B ARG 110 ? NH1 ? B ARG 132 NH1 -207 1 Y 1 B ARG 110 ? NH2 ? B ARG 132 NH2 -208 1 Y 1 B SER 112 ? OG ? B SER 134 OG -209 1 Y 1 B GLU 113 ? CG ? B GLU 135 CG -210 1 Y 1 B GLU 113 ? CD ? B GLU 135 CD -211 1 Y 1 B GLU 113 ? OE1 ? B GLU 135 OE1 -212 1 Y 1 B GLU 113 ? OE2 ? B GLU 135 OE2 -213 1 Y 1 B GLU 115 ? CG ? B GLU 137 CG -214 1 Y 1 B GLU 115 ? CD ? B GLU 137 CD -215 1 Y 1 B GLU 115 ? OE1 ? B GLU 137 OE1 -216 1 Y 1 B GLU 115 ? OE2 ? B GLU 137 OE2 -217 1 Y 1 B GLU 116 ? CG ? B GLU 138 CG -218 1 Y 1 B GLU 116 ? CD ? B GLU 138 CD -219 1 Y 1 B GLU 116 ? OE1 ? B GLU 138 OE1 -220 1 Y 1 B GLU 116 ? OE2 ? B GLU 138 OE2 -221 1 Y 1 B ARG 119 ? CG ? B ARG 141 CG -222 1 Y 1 B ARG 119 ? CD ? B ARG 141 CD -223 1 Y 1 B ARG 119 ? NE ? B ARG 141 NE -224 1 Y 1 B ARG 119 ? CZ ? B ARG 141 CZ -225 1 Y 1 B ARG 119 ? NH1 ? B ARG 141 NH1 -226 1 Y 1 B ARG 119 ? NH2 ? B ARG 141 NH2 -227 1 Y 1 B GLU 142 ? CG ? B GLU 164 CG -228 1 Y 1 B GLU 142 ? CD ? B GLU 164 CD -229 1 Y 1 B GLU 142 ? OE1 ? B GLU 164 OE1 -230 1 Y 1 B GLU 142 ? OE2 ? B GLU 164 OE2 -231 1 Y 1 B LYS 143 ? CG ? B LYS 165 CG -232 1 Y 1 B LYS 143 ? CD ? B LYS 165 CD -233 1 Y 1 B LYS 143 ? CE ? B LYS 165 CE -234 1 Y 1 B LYS 143 ? NZ ? B LYS 165 NZ -235 1 Y 1 B ASP 146 ? CG ? B ASP 168 CG -236 1 Y 1 B ASP 146 ? OD1 ? B ASP 168 OD1 -237 1 Y 1 B ASP 146 ? OD2 ? B ASP 168 OD2 -238 1 Y 1 B ARG 154 ? CG ? B ARG 176 CG -239 1 Y 1 B ARG 154 ? CD ? B ARG 176 CD -240 1 Y 1 B ARG 154 ? NE ? B ARG 176 NE -241 1 Y 1 B ARG 154 ? CZ ? B ARG 176 CZ -242 1 Y 1 B ARG 154 ? NH1 ? B ARG 176 NH1 -243 1 Y 1 B ARG 154 ? NH2 ? B ARG 176 NH2 -244 1 Y 1 B ASP 158 ? CG ? B ASP 180 CG -245 1 Y 1 B ASP 158 ? OD1 ? B ASP 180 OD1 -246 1 Y 1 B ASP 158 ? OD2 ? B ASP 180 OD2 -247 1 Y 1 B GLU 161 ? CD ? B GLU 183 CD -248 1 Y 1 B GLU 161 ? OE1 ? B GLU 183 OE1 -249 1 Y 1 B GLU 161 ? OE2 ? B GLU 183 OE2 -250 1 Y 1 B LYS 162 ? CG ? B LYS 184 CG -251 1 Y 1 B LYS 162 ? CD ? B LYS 184 CD -252 1 Y 1 B LYS 162 ? CE ? B LYS 184 CE -253 1 Y 1 B LYS 162 ? NZ ? B LYS 184 NZ -254 1 Y 1 B GLU 163 ? CG ? B GLU 185 CG -255 1 Y 1 B GLU 163 ? CD ? B GLU 185 CD -256 1 Y 1 B GLU 163 ? OE1 ? B GLU 185 OE1 -257 1 Y 1 B GLU 163 ? OE2 ? B GLU 185 OE2 -258 1 Y 1 B SER 164 ? OG ? B SER 186 OG -259 1 Y 1 B ILE 166 ? CG1 ? B ILE 188 CG1 -260 1 Y 1 B ILE 166 ? CG2 ? B ILE 188 CG2 -261 1 Y 1 B ILE 166 ? CD1 ? B ILE 188 CD1 -262 1 Y 1 B THR 167 ? OG1 ? B THR 189 OG1 -263 1 Y 1 B THR 167 ? CG2 ? B THR 189 CG2 -264 1 Y 1 B ILE 168 ? CG1 ? B ILE 190 CG1 -265 1 Y 1 B ILE 168 ? CG2 ? B ILE 190 CG2 -266 1 Y 1 B ILE 168 ? CD1 ? B ILE 190 CD1 -267 1 Y 1 B GLU 169 ? CG ? B GLU 191 CG -268 1 Y 1 B GLU 169 ? CD ? B GLU 191 CD -269 1 Y 1 B GLU 169 ? OE1 ? B GLU 191 OE1 -270 1 Y 1 B GLU 169 ? OE2 ? B GLU 191 OE2 -271 1 Y 1 B GLU 235 ? CG ? B GLU 257 CG -272 1 Y 1 B GLU 235 ? CD ? B GLU 257 CD -273 1 Y 1 B GLU 235 ? OE1 ? B GLU 257 OE1 -274 1 Y 1 B GLU 235 ? OE2 ? B GLU 257 OE2 -275 1 Y 1 B GLU 266 ? CG ? B GLU 288 CG -276 1 Y 1 B GLU 266 ? CD ? B GLU 288 CD -277 1 Y 1 B GLU 266 ? OE1 ? B GLU 288 OE1 -278 1 Y 1 B GLU 266 ? OE2 ? B GLU 288 OE2 -279 1 Y 1 B LEU 305 ? CG ? B LEU 327 CG -280 1 Y 1 B LEU 305 ? CD1 ? B LEU 327 CD1 -281 1 Y 1 B LEU 305 ? CD2 ? B LEU 327 CD2 -282 1 Y 1 B LYS 310 ? CG ? B LYS 332 CG -283 1 Y 1 B LYS 310 ? CD ? B LYS 332 CD -284 1 Y 1 B LYS 310 ? CE ? B LYS 332 CE -285 1 Y 1 B LYS 310 ? NZ ? B LYS 332 NZ -286 1 Y 1 B ASP 311 ? CG ? B ASP 333 CG -287 1 Y 1 B ASP 311 ? OD1 ? B ASP 333 OD1 -288 1 Y 1 B ASP 311 ? OD2 ? B ASP 333 OD2 -289 1 Y 1 B LYS 314 ? CG ? B LYS 336 CG -290 1 Y 1 B LYS 314 ? CD ? B LYS 336 CD -291 1 Y 1 B LYS 314 ? CE ? B LYS 336 CE -292 1 Y 1 B LYS 314 ? NZ ? B LYS 336 NZ -293 1 Y 1 B LYS 323 ? CG ? B LYS 345 CG -294 1 Y 1 B LYS 323 ? CD ? B LYS 345 CD -295 1 Y 1 B LYS 323 ? CE ? B LYS 345 CE -296 1 Y 1 B LYS 323 ? NZ ? B LYS 345 NZ -297 1 Y 1 B LEU 331 ? CG ? B LEU 353 CG -298 1 Y 1 B LEU 331 ? CD1 ? B LEU 353 CD1 -299 1 Y 1 B LEU 331 ? CD2 ? B LEU 353 CD2 -300 1 Y 1 B LYS 333 ? CD ? B LYS 355 CD -301 1 Y 1 B LYS 333 ? CE ? B LYS 355 CE -302 1 Y 1 B LYS 333 ? NZ ? B LYS 355 NZ -303 1 Y 1 B LYS 336 ? CG ? B LYS 358 CG -304 1 Y 1 B LYS 336 ? CD ? B LYS 358 CD -305 1 Y 1 B LYS 336 ? CE ? B LYS 358 CE -306 1 Y 1 B LYS 336 ? NZ ? B LYS 358 NZ -307 1 Y 1 B ASN 338 ? CG ? B ASN 360 CG -308 1 Y 1 B ASN 338 ? OD1 ? B ASN 360 OD1 -309 1 Y 1 B ASN 338 ? ND2 ? B ASN 360 ND2 -310 1 Y 1 B GLU 352 ? CG ? B GLU 374 CG -311 1 Y 1 B GLU 352 ? CD ? B GLU 374 CD -312 1 Y 1 B GLU 352 ? OE1 ? B GLU 374 OE1 -313 1 Y 1 B GLU 352 ? OE2 ? B GLU 374 OE2 -# -loop_ -_pdbx_unobs_or_zero_occ_residues.id -_pdbx_unobs_or_zero_occ_residues.PDB_model_num -_pdbx_unobs_or_zero_occ_residues.polymer_flag -_pdbx_unobs_or_zero_occ_residues.occupancy_flag -_pdbx_unobs_or_zero_occ_residues.auth_asym_id -_pdbx_unobs_or_zero_occ_residues.auth_comp_id -_pdbx_unobs_or_zero_occ_residues.auth_seq_id -_pdbx_unobs_or_zero_occ_residues.PDB_ins_code -_pdbx_unobs_or_zero_occ_residues.label_asym_id -_pdbx_unobs_or_zero_occ_residues.label_comp_id -_pdbx_unobs_or_zero_occ_residues.label_seq_id -1 1 Y 1 A MET -21 ? A MET 1 -2 1 Y 1 A HIS -20 ? A HIS 2 -3 1 Y 1 A HIS -19 ? A HIS 3 -4 1 Y 1 A HIS -18 ? A HIS 4 -5 1 Y 1 A HIS -17 ? A HIS 5 -6 1 Y 1 A HIS -16 ? A HIS 6 -7 1 Y 1 A HIS -15 ? A HIS 7 -8 1 Y 1 A SER -14 ? A SER 8 -9 1 Y 1 A SER -13 ? A SER 9 -10 1 Y 1 A GLY -12 ? A GLY 10 -11 1 Y 1 A VAL -11 ? A VAL 11 -12 1 Y 1 A ASP -10 ? A ASP 12 -13 1 Y 1 A LEU -9 ? A LEU 13 -14 1 Y 1 A GLY -8 ? A GLY 14 -15 1 Y 1 A THR -7 ? A THR 15 -16 1 Y 1 A GLU -6 ? A GLU 16 -17 1 Y 1 A ASN -5 ? A ASN 17 -18 1 Y 1 A LEU -4 ? A LEU 18 -19 1 Y 1 A TYR -3 ? A TYR 19 -20 1 Y 1 A PHE -2 ? A PHE 20 -21 1 Y 1 A GLN -1 ? A GLN 21 -22 1 Y 1 A SER 0 ? A SER 22 -23 1 Y 1 A MET 1 ? A MET 23 -24 1 Y 1 A ALA 2 ? A ALA 24 -25 1 Y 1 A SER 3 ? A SER 25 -26 1 Y 1 A GLU 4 ? A GLU 26 -27 1 Y 1 A SER 5 ? A SER 27 -28 1 Y 1 A GLU 6 ? A GLU 28 -29 1 Y 1 A THR 7 ? A THR 29 -30 1 Y 1 A LEU 354 ? A LEU 376 -31 1 Y 1 A LYS 355 ? A LYS 377 -32 1 Y 1 A GLU 356 ? A GLU 378 -33 1 Y 1 A SER 357 ? A SER 379 -34 1 Y 1 A GLU 358 ? A GLU 380 -35 1 Y 1 A LEU 359 ? A LEU 381 -36 1 Y 1 B MET -21 ? B MET 1 -37 1 Y 1 B HIS -20 ? B HIS 2 -38 1 Y 1 B HIS -19 ? B HIS 3 -39 1 Y 1 B HIS -18 ? B HIS 4 -40 1 Y 1 B HIS -17 ? B HIS 5 -41 1 Y 1 B HIS -16 ? B HIS 6 -42 1 Y 1 B HIS -15 ? B HIS 7 -43 1 Y 1 B SER -14 ? B SER 8 -44 1 Y 1 B SER -13 ? B SER 9 -45 1 Y 1 B GLY -12 ? B GLY 10 -46 1 Y 1 B VAL -11 ? B VAL 11 -47 1 Y 1 B ASP -10 ? B ASP 12 -48 1 Y 1 B LEU -9 ? B LEU 13 -49 1 Y 1 B GLY -8 ? B GLY 14 -50 1 Y 1 B THR -7 ? B THR 15 -51 1 Y 1 B GLU -6 ? B GLU 16 -52 1 Y 1 B ASN -5 ? B ASN 17 -53 1 Y 1 B LEU -4 ? B LEU 18 -54 1 Y 1 B TYR -3 ? B TYR 19 -55 1 Y 1 B PHE -2 ? B PHE 20 -56 1 Y 1 B GLN -1 ? B GLN 21 -57 1 Y 1 B SER 0 ? B SER 22 -58 1 Y 1 B MET 1 ? B MET 23 -59 1 Y 1 B ALA 2 ? B ALA 24 -60 1 Y 1 B SER 3 ? B SER 25 -61 1 Y 1 B GLU 4 ? B GLU 26 -62 1 Y 1 B SER 5 ? B SER 27 -63 1 Y 1 B GLU 6 ? B GLU 28 -64 1 Y 1 B THR 7 ? B THR 29 -65 1 Y 1 B LEU 354 ? B LEU 376 -66 1 Y 1 B LYS 355 ? B LYS 377 -67 1 Y 1 B GLU 356 ? B GLU 378 -68 1 Y 1 B SER 357 ? B SER 379 -69 1 Y 1 B GLU 358 ? B GLU 380 -70 1 Y 1 B LEU 359 ? B LEU 381 -# -loop_ -_pdbx_entity_nonpoly.entity_id -_pdbx_entity_nonpoly.name -_pdbx_entity_nonpoly.comp_id -3 'SULFATE ION' SO4 -4 '2-[5-[(4-hydroxyphenyl)carbonylamino]-2-oxidanyl-phenyl]pyridine-4-carboxylic acid' 35M -5 'MANGANESE (II) ION' MN -6 'ZINC ION' ZN -7 1,2-ETHANEDIOL EDO -8 'DIMETHYL SULFOXIDE' DMS -9 water HOH -# diff --git a/tests/test_data/xx/2Y4I__1__1.B__1.E_1.F__ATP_MG.cif b/tests/test_data/xx/2Y4I__1__1.B__1.E_1.F__ATP_MG.cif deleted file mode 100644 index f34a5289..00000000 --- a/tests/test_data/xx/2Y4I__1__1.B__1.E_1.F__ATP_MG.cif +++ /dev/null @@ -1,3286 +0,0 @@ -data_2Y4I__1__1.B__1.E_1.F__ATP_MG -loop_ -_entity.id -_entity.type -1 polymer -2 non-polymer -3 non-polymer -# -loop_ -_entity_poly.entity_id -_entity_poly.type -_entity_poly.pdbx_seq_one_letter_code -_entity_poly.pdbx_seq_one_letter_code_can -1 polypeptide(L) GPMPKKKPTPIQLNPAPDGSAVNGTSSAETNLEALQKKLLELELDEQQRKRLEAFLTQKQKVGELKDDDFEKISELGAGNGGVVFKVSHKPSGLVMARKLIHLEIKPAIRNQIIRELQVLHECNSPYIVGFYGAFYSDGEISICMEHMDGGSLDQVLKKAGRIPEQILGKVSIAVIKGLTYLREKHKIMHRDVKPSNILVNSRGEIKLCDFGVSGQLIDSMANSFVGTRSYMSPERLQGTHYSVQSDIWSMGLSLVEMAVGRYPIPPPDAKELELMFGCQVEGDAAETPPRPRTPGRPLSSYGMDSRPPMAIFELLDYIVNEPPPKLPSAVFSLEFQDFVNKCLIKNPAERADLKQLMVHAFIKRSDAEEVDFAGWLCSTIGLNQPSTPTHAAGV GPMPKKKPTPIQLNPAPDGSAVNGTSSAETNLEALQKKLLELELDEQQRKRLEAFLTQKQKVGELKDDDFEKISELGAGNGGVVFKVSHKPSGLVMARKLIHLEIKPAIRNQIIRELQVLHECNSPYIVGFYGAFYSDGEISICMEHMDGGSLDQVLKKAGRIPEQILGKVSIAVIKGLTYLREKHKIMHRDVKPSNILVNSRGEIKLCDFGVSGQLIDSMANSFVGTRSYMSPERLQGTHYSVQSDIWSMGLSLVEMAVGRYPIPPPDAKELELMFGCQVEGDAAETPPRPRTPGRPLSSYGMDSRPPMAIFELLDYIVNEPPPKLPSAVFSLEFQDFVNKCLIKNPAERADLKQLMVHAFIKRSDAEEVDFAGWLCSTIGLNQPSTPTHAAGV -# -loop_ -_entity_poly_seq.entity_id -_entity_poly_seq.mon_id -_entity_poly_seq.num -_entity_poly_seq.hetero -1 GLY 1 n -1 PRO 2 n -1 MET 3 n -1 PRO 4 n -1 LYS 5 n -1 LYS 6 n -1 LYS 7 n -1 PRO 8 n -1 THR 9 n -1 PRO 10 n -1 ILE 11 n -1 GLN 12 n -1 LEU 13 n -1 ASN 14 n -1 PRO 15 n -1 ALA 16 n -1 PRO 17 n -1 ASP 18 n -1 GLY 19 n -1 SER 20 n -1 ALA 21 n -1 VAL 22 n -1 ASN 23 n -1 GLY 24 n -1 THR 25 n -1 SER 26 n -1 SER 27 n -1 ALA 28 n -1 GLU 29 n -1 THR 30 n -1 ASN 31 n -1 LEU 32 n -1 GLU 33 n -1 ALA 34 n -1 LEU 35 n -1 GLN 36 n -1 LYS 37 n -1 LYS 38 n -1 LEU 39 n -1 LEU 40 n -1 GLU 41 n -1 LEU 42 n -1 GLU 43 n -1 LEU 44 n -1 ASP 45 n -1 GLU 46 n -1 GLN 47 n -1 GLN 48 n -1 ARG 49 n -1 LYS 50 n -1 ARG 51 n -1 LEU 52 n -1 GLU 53 n -1 ALA 54 n -1 PHE 55 n -1 LEU 56 n -1 THR 57 n -1 GLN 58 n -1 LYS 59 n -1 GLN 60 n -1 LYS 61 n -1 VAL 62 n -1 GLY 63 n -1 GLU 64 n -1 LEU 65 n -1 LYS 66 n -1 ASP 67 n -1 ASP 68 n -1 ASP 69 n -1 PHE 70 n -1 GLU 71 n -1 LYS 72 n -1 ILE 73 n -1 SER 74 n -1 GLU 75 n -1 LEU 76 n -1 GLY 77 n -1 ALA 78 n -1 GLY 79 n -1 ASN 80 n -1 GLY 81 n -1 GLY 82 n -1 VAL 83 n -1 VAL 84 n -1 PHE 85 n -1 LYS 86 n -1 VAL 87 n -1 SER 88 n -1 HIS 89 n -1 LYS 90 n -1 PRO 91 n -1 SER 92 n -1 GLY 93 n -1 LEU 94 n -1 VAL 95 n -1 MET 96 n -1 ALA 97 n -1 ARG 98 n -1 LYS 99 n -1 LEU 100 n -1 ILE 101 n -1 HIS 102 n -1 LEU 103 n -1 GLU 104 n -1 ILE 105 n -1 LYS 106 n -1 PRO 107 n -1 ALA 108 n -1 ILE 109 n -1 ARG 110 n -1 ASN 111 n -1 GLN 112 n -1 ILE 113 n -1 ILE 114 n -1 ARG 115 n -1 GLU 116 n -1 LEU 117 n -1 GLN 118 n -1 VAL 119 n -1 LEU 120 n -1 HIS 121 n -1 GLU 122 n -1 CYS 123 n -1 ASN 124 n -1 SER 125 n -1 PRO 126 n -1 TYR 127 n -1 ILE 128 n -1 VAL 129 n -1 GLY 130 n -1 PHE 131 n -1 TYR 132 n -1 GLY 133 n -1 ALA 134 n -1 PHE 135 n -1 TYR 136 n -1 SER 137 n -1 ASP 138 n -1 GLY 139 n -1 GLU 140 n -1 ILE 141 n -1 SER 142 n -1 ILE 143 n -1 CYS 144 n -1 MET 145 n -1 GLU 146 n -1 HIS 147 n -1 MET 148 n -1 ASP 149 n -1 GLY 150 n -1 GLY 151 n -1 SER 152 n -1 LEU 153 n -1 ASP 154 n -1 GLN 155 n -1 VAL 156 n -1 LEU 157 n -1 LYS 158 n -1 LYS 159 n -1 ALA 160 n -1 GLY 161 n -1 ARG 162 n -1 ILE 163 n -1 PRO 164 n -1 GLU 165 n -1 GLN 166 n -1 ILE 167 n -1 LEU 168 n -1 GLY 169 n -1 LYS 170 n -1 VAL 171 n -1 SER 172 n -1 ILE 173 n -1 ALA 174 n -1 VAL 175 n -1 ILE 176 n -1 LYS 177 n -1 GLY 178 n -1 LEU 179 n -1 THR 180 n -1 TYR 181 n -1 LEU 182 n -1 ARG 183 n -1 GLU 184 n -1 LYS 185 n -1 HIS 186 n -1 LYS 187 n -1 ILE 188 n -1 MET 189 n -1 HIS 190 n -1 ARG 191 n -1 ASP 192 n -1 VAL 193 n -1 LYS 194 n -1 PRO 195 n -1 SER 196 n -1 ASN 197 n -1 ILE 198 n -1 LEU 199 n -1 VAL 200 n -1 ASN 201 n -1 SER 202 n -1 ARG 203 n -1 GLY 204 n -1 GLU 205 n -1 ILE 206 n -1 LYS 207 n -1 LEU 208 n -1 CYS 209 n -1 ASP 210 n -1 PHE 211 n -1 GLY 212 n -1 VAL 213 n -1 SER 214 n -1 GLY 215 n -1 GLN 216 n -1 LEU 217 n -1 ILE 218 n -1 ASP 219 n -1 SER 220 n -1 MET 221 n -1 ALA 222 n -1 ASN 223 n -1 SER 224 n -1 PHE 225 n -1 VAL 226 n -1 GLY 227 n -1 THR 228 n -1 ARG 229 n -1 SER 230 n -1 TYR 231 n -1 MET 232 n -1 SER 233 n -1 PRO 234 n -1 GLU 235 n -1 ARG 236 n -1 LEU 237 n -1 GLN 238 n -1 GLY 239 n -1 THR 240 n -1 HIS 241 n -1 TYR 242 n -1 SER 243 n -1 VAL 244 n -1 GLN 245 n -1 SER 246 n -1 ASP 247 n -1 ILE 248 n -1 TRP 249 n -1 SER 250 n -1 MET 251 n -1 GLY 252 n -1 LEU 253 n -1 SER 254 n -1 LEU 255 n -1 VAL 256 n -1 GLU 257 n -1 MET 258 n -1 ALA 259 n -1 VAL 260 n -1 GLY 261 n -1 ARG 262 n -1 TYR 263 n -1 PRO 264 n -1 ILE 265 n -1 PRO 266 n -1 PRO 267 n -1 PRO 268 n -1 ASP 269 n -1 ALA 270 n -1 LYS 271 n -1 GLU 272 n -1 LEU 273 n -1 GLU 274 n -1 LEU 275 n -1 MET 276 n -1 PHE 277 n -1 GLY 278 n -1 CYS 279 n -1 GLN 280 n -1 VAL 281 n -1 GLU 282 n -1 GLY 283 n -1 ASP 284 n -1 ALA 285 n -1 ALA 286 n -1 GLU 287 n -1 THR 288 n -1 PRO 289 n -1 PRO 290 n -1 ARG 291 n -1 PRO 292 n -1 ARG 293 n -1 THR 294 n -1 PRO 295 n -1 GLY 296 n -1 ARG 297 n -1 PRO 298 n -1 LEU 299 n -1 SER 300 n -1 SER 301 n -1 TYR 302 n -1 GLY 303 n -1 MET 304 n -1 ASP 305 n -1 SER 306 n -1 ARG 307 n -1 PRO 308 n -1 PRO 309 n -1 MET 310 n -1 ALA 311 n -1 ILE 312 n -1 PHE 313 n -1 GLU 314 n -1 LEU 315 n -1 LEU 316 n -1 ASP 317 n -1 TYR 318 n -1 ILE 319 n -1 VAL 320 n -1 ASN 321 n -1 GLU 322 n -1 PRO 323 n -1 PRO 324 n -1 PRO 325 n -1 LYS 326 n -1 LEU 327 n -1 PRO 328 n -1 SER 329 n -1 ALA 330 n -1 VAL 331 n -1 PHE 332 n -1 SER 333 n -1 LEU 334 n -1 GLU 335 n -1 PHE 336 n -1 GLN 337 n -1 ASP 338 n -1 PHE 339 n -1 VAL 340 n -1 ASN 341 n -1 LYS 342 n -1 CYS 343 n -1 LEU 344 n -1 ILE 345 n -1 LYS 346 n -1 ASN 347 n -1 PRO 348 n -1 ALA 349 n -1 GLU 350 n -1 ARG 351 n -1 ALA 352 n -1 ASP 353 n -1 LEU 354 n -1 LYS 355 n -1 GLN 356 n -1 LEU 357 n -1 MET 358 n -1 VAL 359 n -1 HIS 360 n -1 ALA 361 n -1 PHE 362 n -1 ILE 363 n -1 LYS 364 n -1 ARG 365 n -1 SER 366 n -1 ASP 367 n -1 ALA 368 n -1 GLU 369 n -1 GLU 370 n -1 VAL 371 n -1 ASP 372 n -1 PHE 373 n -1 ALA 374 n -1 GLY 375 n -1 TRP 376 n -1 LEU 377 n -1 CYS 378 n -1 SER 379 n -1 THR 380 n -1 ILE 381 n -1 GLY 382 n -1 LEU 383 n -1 ASN 384 n -1 GLN 385 n -1 PRO 386 n -1 SER 387 n -1 THR 388 n -1 PRO 389 n -1 THR 390 n -1 HIS 391 n -1 ALA 392 n -1 ALA 393 n -1 GLY 394 n -1 VAL 395 n -# -loop_ -_chem_comp.id -_chem_comp.type -ALA "L-PEPTIDE LINKING" -ARG "L-PEPTIDE LINKING" -ASN "L-PEPTIDE LINKING" -ASP "L-PEPTIDE LINKING" -ATP NON-POLYMER -CYS "L-PEPTIDE LINKING" -GLN "L-PEPTIDE LINKING" -GLU "L-PEPTIDE LINKING" -GLY "PEPTIDE LINKING" -HIS "L-PEPTIDE LINKING" -ILE "L-PEPTIDE LINKING" -LEU "L-PEPTIDE LINKING" -LYS "L-PEPTIDE LINKING" -MET "L-PEPTIDE LINKING" -MG NON-POLYMER -PHE "L-PEPTIDE LINKING" -PRO "L-PEPTIDE LINKING" -SER "L-PEPTIDE LINKING" -THR "L-PEPTIDE LINKING" -TRP "L-PEPTIDE LINKING" -TYR "L-PEPTIDE LINKING" -VAL "L-PEPTIDE LINKING" -# -loop_ -_struct_asym.id -_struct_asym.entity_id -1.B 1 -1.E 2 -1.F 3 -# -# -loop_ -_atom_type.symbol -C -MG -N -O -P -S -# -loop_ -_atom_site.group_PDB -_atom_site.type_symbol -_atom_site.label_atom_id -_atom_site.label_comp_id -_atom_site.label_asym_id -_atom_site.label_entity_id -_atom_site.label_seq_id -_atom_site.label_alt_id -_atom_site.Cartn_x -_atom_site.Cartn_y -_atom_site.Cartn_z -_atom_site.occupancy -_atom_site.B_iso_or_equiv -_atom_site.auth_seq_id -_atom_site.auth_asym_id -_atom_site.id -_atom_site.pdbx_PDB_ins_code -_atom_site.pdbx_PDB_model_num -ATOM N N LEU 1.B 1 39 . -12.645 28.123 30.108 1.00 199.94 39 1.B 0 ? 1 -ATOM C CA LEU 1.B 1 39 . -11.943 26.858 29.919 1.00 202.04 39 1.B 1 ? 1 -ATOM C C LEU 1.B 1 39 . -12.833 25.818 29.242 1.00 205.03 39 1.B 2 ? 1 -ATOM O O LEU 1.B 1 39 . -12.344 24.813 28.725 1.00 207.57 39 1.B 3 ? 1 -ATOM C CB LEU 1.B 1 39 . -11.431 26.323 31.259 1.00 201.36 39 1.B 4 ? 1 -ATOM N N LEU 1.B 1 40 . -14.140 26.069 29.247 1.00 201.37 40 1.B 5 ? 1 -ATOM C CA LEU 1.B 1 40 . -15.109 25.168 28.627 1.00 199.30 40 1.B 6 ? 1 -ATOM C C LEU 1.B 1 40 . -16.403 25.898 28.276 1.00 198.55 40 1.B 7 ? 1 -ATOM O O LEU 1.B 1 40 . -16.382 26.990 27.706 1.00 193.61 40 1.B 8 ? 1 -ATOM C CB LEU 1.B 1 40 . -15.425 23.991 29.555 1.00 198.23 40 1.B 9 ? 1 -ATOM C CG LEU 1.B 1 40 . -14.450 22.815 29.593 1.00 196.23 40 1.B 10 ? 1 -ATOM C CD1 LEU 1.B 1 40 . -14.862 21.817 30.663 1.00 197.00 40 1.B 11 ? 1 -ATOM C CD2 LEU 1.B 1 40 . -14.371 22.144 28.231 1.00 195.09 40 1.B 12 ? 1 -ATOM N N GLU 1.B 1 41 . -17.526 25.277 28.625 1.00 199.73 41 1.B 13 ? 1 -ATOM C CA GLU 1.B 1 41 . -18.844 25.858 28.401 1.00 200.58 41 1.B 14 ? 1 -ATOM C C GLU 1.B 1 41 . -19.915 25.028 29.100 1.00 203.05 41 1.B 15 ? 1 -ATOM O O GLU 1.B 1 41 . -19.659 23.907 29.538 1.00 199.37 41 1.B 16 ? 1 -ATOM C CB GLU 1.B 1 41 . -19.145 25.950 26.904 1.00 200.48 41 1.B 17 ? 1 -ATOM N N LEU 1.B 1 42 . -21.118 25.584 29.202 1.00 223.69 42 1.B 18 ? 1 -ATOM C CA LEU 1.B 1 42 . -22.230 24.888 29.837 1.00 233.42 42 1.B 19 ? 1 -ATOM C C LEU 1.B 1 42 . -23.186 24.307 28.800 1.00 234.37 42 1.B 20 ? 1 -ATOM O O LEU 1.B 1 42 . -23.353 24.867 27.716 1.00 232.83 42 1.B 21 ? 1 -ATOM C CB LEU 1.B 1 42 . -22.988 25.825 30.782 1.00 237.00 42 1.B 22 ? 1 -ATOM C CG LEU 1.B 1 42 . -22.304 26.206 32.098 1.00 238.90 42 1.B 23 ? 1 -ATOM C CD1 LEU 1.B 1 42 . -21.108 27.118 31.858 1.00 237.13 42 1.B 24 ? 1 -ATOM C CD2 LEU 1.B 1 42 . -23.300 26.857 33.048 1.00 238.91 42 1.B 25 ? 1 -ATOM N N GLU 1.B 1 43 . -23.807 23.182 29.142 1.00 228.15 43 1.B 26 ? 1 -ATOM C CA GLU 1.B 1 43 . -24.782 22.528 28.272 1.00 225.39 43 1.B 27 ? 1 -ATOM C C GLU 1.B 1 43 . -24.222 22.236 26.882 1.00 223.09 43 1.B 28 ? 1 -ATOM O O GLU 1.B 1 43 . -24.187 23.113 26.019 1.00 221.47 43 1.B 29 ? 1 -ATOM C CB GLU 1.B 1 43 . -26.058 23.369 28.163 1.00 221.79 43 1.B 30 ? 1 -ATOM C CG GLU 1.B 1 43 . -27.155 22.730 27.322 1.00 221.49 43 1.B 31 ? 1 -ATOM C CD GLU 1.B 1 43 . -28.380 23.614 27.189 1.00 220.08 43 1.B 32 ? 1 -ATOM O OE1 GLU 1.B 1 43 . -28.334 24.774 27.653 1.00 218.52 43 1.B 33 ? 1 -ATOM O OE2 GLU 1.B 1 43 . -29.390 23.150 26.620 1.00 220.59 43 1.B 34 ? 1 -ATOM N N LEU 1.B 1 44 . -23.790 20.998 26.670 1.00 220.83 44 1.B 35 ? 1 -ATOM C CA LEU 1.B 1 44 . -23.269 20.584 25.372 1.00 216.43 44 1.B 36 ? 1 -ATOM C C LEU 1.B 1 44 . -23.708 19.167 25.014 1.00 219.15 44 1.B 37 ? 1 -ATOM O O LEU 1.B 1 44 . -23.625 18.251 25.834 1.00 221.09 44 1.B 38 ? 1 -ATOM C CB LEU 1.B 1 44 . -21.744 20.692 25.342 1.00 211.42 44 1.B 39 ? 1 -ATOM C CG LEU 1.B 1 44 . -21.184 22.114 25.381 1.00 205.79 44 1.B 40 ? 1 -ATOM C CD1 LEU 1.B 1 44 . -19.667 22.093 25.465 1.00 206.11 44 1.B 41 ? 1 -ATOM C CD2 LEU 1.B 1 44 . -21.650 22.898 24.164 1.00 201.31 44 1.B 42 ? 1 -ATOM N N ASP 1.B 1 45 . -24.179 19.000 23.782 1.00 220.04 45 1.B 43 ? 1 -ATOM C CA ASP 1.B 1 45 . -24.631 17.703 23.293 1.00 219.21 45 1.B 44 ? 1 -ATOM C C ASP 1.B 1 45 . -23.487 16.696 23.290 1.00 219.37 45 1.B 45 ? 1 -ATOM O O ASP 1.B 1 45 . -22.344 17.043 22.997 1.00 217.86 45 1.B 46 ? 1 -ATOM C CB ASP 1.B 1 45 . -25.211 17.843 21.884 1.00 215.61 45 1.B 47 ? 1 -ATOM C CG ASP 1.B 1 45 . -25.760 16.535 21.343 1.00 216.05 45 1.B 48 ? 1 -ATOM O OD1 ASP 1.B 1 45 . -26.098 15.647 22.153 1.00 218.85 45 1.B 49 ? 1 -ATOM O OD2 ASP 1.B 1 45 . -25.858 16.399 20.105 1.00 213.75 45 1.B 50 ? 1 -ATOM N N GLU 1.B 1 46 . -23.804 15.448 23.617 1.00 220.36 46 1.B 51 ? 1 -ATOM C CA GLU 1.B 1 46 . -22.814 14.378 23.649 1.00 220.31 46 1.B 52 ? 1 -ATOM C C GLU 1.B 1 46 . -22.081 14.244 22.315 1.00 216.46 46 1.B 53 ? 1 -ATOM O O GLU 1.B 1 46 . -20.860 14.098 22.279 1.00 215.42 46 1.B 54 ? 1 -ATOM C CB GLU 1.B 1 46 . -23.489 13.054 24.012 1.00 224.91 46 1.B 55 ? 1 -ATOM C CG GLU 1.B 1 46 . -24.333 13.119 25.277 1.00 226.78 46 1.B 56 ? 1 -ATOM C CD GLU 1.B 1 46 . -25.343 11.991 25.363 1.00 231.95 46 1.B 57 ? 1 -ATOM O OE1 GLU 1.B 1 46 . -25.605 11.346 24.326 1.00 233.49 46 1.B 58 ? 1 -ATOM O OE2 GLU 1.B 1 46 . -25.878 11.753 26.466 1.00 235.14 46 1.B 59 ? 1 -ATOM N N GLN 1.B 1 47 . -22.835 14.301 21.221 1.00 208.25 47 1.B 60 ? 1 -ATOM C CA GLN 1.B 1 47 . -22.271 14.142 19.884 1.00 204.25 47 1.B 61 ? 1 -ATOM C C GLN 1.B 1 47 . -21.533 15.396 19.425 1.00 201.01 47 1.B 62 ? 1 -ATOM O O GLN 1.B 1 47 . -20.498 15.310 18.763 1.00 197.76 47 1.B 63 ? 1 -ATOM C CB GLN 1.B 1 47 . -23.372 13.784 18.883 1.00 202.62 47 1.B 64 ? 1 -ATOM C CG GLN 1.B 1 47 . -22.861 13.389 17.509 1.00 201.30 47 1.B 65 ? 1 -ATOM C CD GLN 1.B 1 47 . -23.975 12.939 16.585 1.00 202.28 47 1.B 66 ? 1 -ATOM O OE1 GLN 1.B 1 47 . -25.145 13.256 16.804 1.00 201.99 47 1.B 67 ? 1 -ATOM N NE2 GLN 1.B 1 47 . -23.618 12.195 15.544 1.00 203.54 47 1.B 68 ? 1 -ATOM N N GLN 1.B 1 48 . -22.078 16.558 19.774 1.00 208.28 48 1.B 69 ? 1 -ATOM C CA GLN 1.B 1 48 . -21.453 17.834 19.442 1.00 204.99 48 1.B 70 ? 1 -ATOM C C GLN 1.B 1 48 . -20.142 17.989 20.202 1.00 203.44 48 1.B 71 ? 1 -ATOM O O GLN 1.B 1 48 . -19.180 18.561 19.690 1.00 200.40 48 1.B 72 ? 1 -ATOM C CB GLN 1.B 1 48 . -22.392 19.000 19.766 1.00 202.16 48 1.B 73 ? 1 -ATOM C CG GLN 1.B 1 48 . -23.639 19.060 18.892 1.00 199.76 48 1.B 74 ? 1 -ATOM C CD GLN 1.B 1 48 . -24.559 20.211 19.259 1.00 193.75 48 1.B 75 ? 1 -ATOM O OE1 GLN 1.B 1 48 . -24.340 20.902 20.254 1.00 191.99 48 1.B 76 ? 1 -ATOM N NE2 GLN 1.B 1 48 . -25.597 20.419 18.456 1.00 191.03 48 1.B 77 ? 1 -ATOM N N ARG 1.B 1 49 . -20.118 17.475 21.428 1.00 202.46 49 1.B 78 ? 1 -ATOM C CA ARG 1.B 1 49 . -18.907 17.466 22.240 1.00 203.81 49 1.B 79 ? 1 -ATOM C C ARG 1.B 1 49 . -17.807 16.672 21.544 1.00 205.34 49 1.B 80 ? 1 -ATOM O O ARG 1.B 1 49 . -16.620 16.911 21.766 1.00 201.92 49 1.B 81 ? 1 -ATOM C CB ARG 1.B 1 49 . -19.198 16.882 23.624 1.00 206.84 49 1.B 82 ? 1 -ATOM C CG ARG 1.B 1 49 . -19.821 17.875 24.595 1.00 206.59 49 1.B 83 ? 1 -ATOM C CD ARG 1.B 1 49 . -20.768 17.192 25.572 1.00 209.34 49 1.B 84 ? 1 -ATOM N NE ARG 1.B 1 49 . -20.162 16.038 26.229 1.00 211.51 49 1.B 85 ? 1 -ATOM C CZ ARG 1.B 1 49 . -20.825 15.199 27.018 1.00 212.35 49 1.B 86 ? 1 -ATOM N NH1 ARG 1.B 1 49 . -22.118 15.386 27.248 1.00 211.94 49 1.B 87 ? 1 -ATOM N NH2 ARG 1.B 1 49 . -20.198 14.173 27.576 1.00 213.85 49 1.B 88 ? 1 -ATOM N N LYS 1.B 1 50 . -18.214 15.726 20.703 1.00 217.39 50 1.B 89 ? 1 -ATOM C CA LYS 1.B 1 50 . -17.275 14.967 19.885 1.00 219.25 50 1.B 90 ? 1 -ATOM C C LYS 1.B 1 50 . -16.758 15.835 18.744 1.00 215.85 50 1.B 91 ? 1 -ATOM O O LYS 1.B 1 50 . -15.551 16.006 18.573 1.00 215.94 50 1.B 92 ? 1 -ATOM C CB LYS 1.B 1 50 . -17.946 13.715 19.312 1.00 221.47 50 1.B 93 ? 1 -ATOM C CG LYS 1.B 1 50 . -17.101 12.985 18.273 1.00 221.49 50 1.B 94 ? 1 -ATOM C CD LYS 1.B 1 50 . -17.955 12.150 17.327 1.00 221.45 50 1.B 95 ? 1 -ATOM C CE LYS 1.B 1 50 . -17.133 11.639 16.149 1.00 220.26 50 1.B 96 ? 1 -ATOM N NZ LYS 1.B 1 50 . -17.975 11.007 15.096 1.00 221.76 50 1.B 97 ? 1 -ATOM N N ARG 1.B 1 51 . -17.688 16.383 17.968 1.00 200.42 51 1.B 98 ? 1 -ATOM C CA ARG 1.B 1 51 . -17.350 17.182 16.799 1.00 194.24 51 1.B 99 ? 1 -ATOM C C ARG 1.B 1 51 . -16.444 18.351 17.159 1.00 196.18 51 1.B 100 ? 1 -ATOM O O ARG 1.B 1 51 . -15.384 18.531 16.560 1.00 198.11 51 1.B 101 ? 1 -ATOM C CB ARG 1.B 1 51 . -18.622 17.700 16.135 1.00 186.63 51 1.B 102 ? 1 -ATOM C CG ARG 1.B 1 51 . -19.709 16.655 16.015 1.00 187.08 51 1.B 103 ? 1 -ATOM C CD ARG 1.B 1 51 . -20.998 17.277 15.529 1.00 187.26 51 1.B 104 ? 1 -ATOM N NE ARG 1.B 1 51 . -22.139 16.391 15.725 1.00 191.57 51 1.B 105 ? 1 -ATOM C CZ ARG 1.B 1 51 . -23.401 16.752 15.525 1.00 191.65 51 1.B 106 ? 1 -ATOM N NH1 ARG 1.B 1 51 . -23.682 17.985 15.123 1.00 187.29 51 1.B 107 ? 1 -ATOM N NH2 ARG 1.B 1 51 . -24.383 15.884 15.729 1.00 195.17 51 1.B 108 ? 1 -ATOM N N LEU 1.B 1 52 . -16.866 19.142 18.141 1.00 202.70 52 1.B 109 ? 1 -ATOM C CA LEU 1.B 1 52 . -16.112 20.322 18.554 1.00 201.41 52 1.B 110 ? 1 -ATOM C C LEU 1.B 1 52 . -14.717 19.971 19.066 1.00 203.34 52 1.B 111 ? 1 -ATOM O O LEU 1.B 1 52 . -13.775 20.748 18.906 1.00 201.04 52 1.B 112 ? 1 -ATOM C CB LEU 1.B 1 52 . -16.878 21.106 19.622 1.00 197.39 52 1.B 113 ? 1 -ATOM C CG LEU 1.B 1 52 . -18.189 21.772 19.203 1.00 193.52 52 1.B 114 ? 1 -ATOM C CD1 LEU 1.B 1 52 . -18.755 22.572 20.363 1.00 191.85 52 1.B 115 ? 1 -ATOM C CD2 LEU 1.B 1 52 . -17.982 22.664 17.988 1.00 190.77 52 1.B 116 ? 1 -ATOM N N GLU 1.B 1 53 . -14.588 18.800 19.680 1.00 201.99 53 1.B 117 ? 1 -ATOM C CA GLU 1.B 1 53 . -13.312 18.376 20.245 1.00 201.55 53 1.B 118 ? 1 -ATOM C C GLU 1.B 1 53 . -12.288 18.115 19.145 1.00 197.17 53 1.B 119 ? 1 -ATOM O O GLU 1.B 1 53 . -11.100 18.394 19.307 1.00 190.49 53 1.B 120 ? 1 -ATOM C CB GLU 1.B 1 53 . -13.499 17.129 21.110 1.00 205.94 53 1.B 121 ? 1 -ATOM C CG GLU 1.B 1 53 . -12.344 16.854 22.056 1.00 208.76 53 1.B 122 ? 1 -ATOM C CD GLU 1.B 1 53 . -12.724 15.901 23.170 1.00 212.91 53 1.B 123 ? 1 -ATOM O OE1 GLU 1.B 1 53 . -13.904 15.496 23.227 1.00 213.58 53 1.B 124 ? 1 -ATOM O OE2 GLU 1.B 1 53 . -11.846 15.560 23.991 1.00 215.94 53 1.B 125 ? 1 -ATOM N N ALA 1.B 1 54 . -12.762 17.580 18.025 1.00 204.85 54 1.B 126 ? 1 -ATOM C CA ALA 1.B 1 54 . -11.906 17.320 16.876 1.00 211.75 54 1.B 127 ? 1 -ATOM C C ALA 1.B 1 54 . -11.406 18.627 16.268 1.00 215.65 54 1.B 128 ? 1 -ATOM O O ALA 1.B 1 54 . -10.256 18.722 15.840 1.00 217.43 54 1.B 129 ? 1 -ATOM C CB ALA 1.B 1 54 . -12.655 16.501 15.836 1.00 213.56 54 1.B 130 ? 1 -ATOM N N PHE 1.B 1 55 . -12.279 19.630 16.236 1.00 220.29 55 1.B 131 ? 1 -ATOM C CA PHE 1.B 1 55 . -11.939 20.942 15.694 1.00 223.30 55 1.B 132 ? 1 -ATOM C C PHE 1.B 1 55 . -10.691 21.511 16.365 1.00 223.72 55 1.B 133 ? 1 -ATOM O O PHE 1.B 1 55 . -9.857 22.146 15.717 1.00 223.54 55 1.B 134 ? 1 -ATOM C CB PHE 1.B 1 55 . -13.122 21.903 15.863 1.00 223.52 55 1.B 135 ? 1 -ATOM C CG PHE 1.B 1 55 . -12.847 23.307 15.392 1.00 223.66 55 1.B 136 ? 1 -ATOM C CD1 PHE 1.B 1 55 . -12.959 23.639 14.052 1.00 223.57 55 1.B 137 ? 1 -ATOM C CD2 PHE 1.B 1 55 . -12.497 24.300 16.294 1.00 222.72 55 1.B 138 ? 1 -ATOM C CE1 PHE 1.B 1 55 . -12.715 24.931 13.618 1.00 221.61 55 1.B 139 ? 1 -ATOM C CE2 PHE 1.B 1 55 . -12.251 25.593 15.867 1.00 220.61 55 1.B 140 ? 1 -ATOM C CZ PHE 1.B 1 55 . -12.361 25.909 14.527 1.00 220.11 55 1.B 141 ? 1 -ATOM N N LEU 1.B 1 56 . -10.567 21.270 17.666 1.00 218.58 56 1.B 142 ? 1 -ATOM C CA LEU 1.B 1 56 . -9.442 21.782 18.439 1.00 214.58 56 1.B 143 ? 1 -ATOM C C LEU 1.B 1 56 . -8.154 21.029 18.124 1.00 216.22 56 1.B 144 ? 1 -ATOM O O LEU 1.B 1 56 . -7.126 21.637 17.828 1.00 217.29 56 1.B 145 ? 1 -ATOM C CB LEU 1.B 1 56 . -9.747 21.700 19.934 1.00 210.88 56 1.B 146 ? 1 -ATOM C CG LEU 1.B 1 56 . -11.025 22.413 20.376 1.00 206.41 56 1.B 147 ? 1 -ATOM C CD1 LEU 1.B 1 56 . -11.291 22.184 21.854 1.00 206.29 56 1.B 148 ? 1 -ATOM C CD2 LEU 1.B 1 56 . -10.941 23.900 20.063 1.00 203.45 56 1.B 149 ? 1 -ATOM N N THR 1.B 1 57 . -8.218 19.703 18.191 1.00 218.03 57 1.B 150 ? 1 -ATOM C CA THR 1.B 1 57 . -7.056 18.862 17.931 1.00 216.84 57 1.B 151 ? 1 -ATOM C C THR 1.B 1 57 . -6.491 19.114 16.536 1.00 217.00 57 1.B 152 ? 1 -ATOM O O THR 1.B 1 57 . -5.282 19.031 16.321 1.00 219.49 57 1.B 153 ? 1 -ATOM C CB THR 1.B 1 57 . -7.400 17.368 18.076 1.00 216.35 57 1.B 154 ? 1 -ATOM O OG1 THR 1.B 1 57 . -7.917 17.120 19.390 1.00 215.64 57 1.B 155 ? 1 -ATOM C CG2 THR 1.B 1 57 . -6.165 16.511 17.854 1.00 217.85 57 1.B 156 ? 1 -ATOM N N GLN 1.B 1 58 . -7.373 19.430 15.594 1.00 209.95 58 1.B 157 ? 1 -ATOM C CA GLN 1.B 1 58 . -6.965 19.668 14.215 1.00 209.49 58 1.B 158 ? 1 -ATOM C C GLN 1.B 1 58 . -6.490 21.104 14.006 1.00 209.36 58 1.B 159 ? 1 -ATOM O O GLN 1.B 1 58 . -5.905 21.431 12.972 1.00 210.20 58 1.B 160 ? 1 -ATOM C CB GLN 1.B 1 58 . -8.111 19.340 13.258 1.00 207.44 58 1.B 161 ? 1 -ATOM C CG GLN 1.B 1 58 . -8.598 17.904 13.359 1.00 208.46 58 1.B 162 ? 1 -ATOM C CD GLN 1.B 1 58 . -9.778 17.623 12.450 1.00 208.27 58 1.B 163 ? 1 -ATOM O OE1 GLN 1.B 1 58 . -10.109 18.426 11.579 1.00 207.62 58 1.B 164 ? 1 -ATOM N NE2 GLN 1.B 1 58 . -10.418 16.477 12.650 1.00 209.05 58 1.B 165 ? 1 -ATOM N N LYS 1.B 1 59 . -6.743 21.955 14.995 1.00 214.34 59 1.B 166 ? 1 -ATOM C CA LYS 1.B 1 59 . -6.328 23.352 14.932 1.00 212.89 59 1.B 167 ? 1 -ATOM C C LYS 1.B 1 59 . -4.910 23.530 15.470 1.00 212.68 59 1.B 168 ? 1 -ATOM O O LYS 1.B 1 59 . -4.177 24.421 15.040 1.00 213.62 59 1.B 169 ? 1 -ATOM C CB LYS 1.B 1 59 . -7.305 24.237 15.710 1.00 209.55 59 1.B 170 ? 1 -ATOM C CG LYS 1.B 1 59 . -7.026 25.729 15.599 1.00 207.56 59 1.B 171 ? 1 -ATOM C CD LYS 1.B 1 59 . -8.095 26.548 16.309 1.00 204.72 59 1.B 172 ? 1 -ATOM C CE LYS 1.B 1 59 . -7.859 28.042 16.138 1.00 202.84 59 1.B 173 ? 1 -ATOM N NZ LYS 1.B 1 59 . -8.923 28.854 16.794 1.00 200.31 59 1.B 174 ? 1 -ATOM N N GLN 1.B 1 60 . -4.530 22.671 16.411 1.00 202.65 60 1.B 175 ? 1 -ATOM C CA GLN 1.B 1 60 . -3.203 22.721 17.011 1.00 200.10 60 1.B 176 ? 1 -ATOM C C GLN 1.B 1 60 . -2.138 22.322 15.998 1.00 204.03 60 1.B 177 ? 1 -ATOM O O GLN 1.B 1 60 . -0.946 22.529 16.221 1.00 206.17 60 1.B 178 ? 1 -ATOM C CB GLN 1.B 1 60 . -3.140 21.799 18.229 1.00 196.89 60 1.B 179 ? 1 -ATOM C CG GLN 1.B 1 60 . -4.268 22.019 19.224 1.00 194.06 60 1.B 180 ? 1 -ATOM C CD GLN 1.B 1 60 . -4.291 20.977 20.325 1.00 194.85 60 1.B 181 ? 1 -ATOM O OE1 GLN 1.B 1 60 . -3.359 20.184 20.463 1.00 198.85 60 1.B 182 ? 1 -ATOM N NE2 GLN 1.B 1 60 . -5.359 20.972 21.116 1.00 191.02 60 1.B 183 ? 1 -ATOM N N LYS 1.B 1 61 . -2.579 21.751 14.882 1.00 207.08 61 1.B 184 ? 1 -ATOM C CA LYS 1.B 1 61 . -1.671 21.291 13.839 1.00 211.48 61 1.B 185 ? 1 -ATOM C C LYS 1.B 1 61 . -1.105 22.453 13.028 1.00 216.79 61 1.B 186 ? 1 -ATOM O O LYS 1.B 1 61 . -0.027 22.344 12.442 1.00 219.01 61 1.B 187 ? 1 -ATOM C CB LYS 1.B 1 61 . -2.385 20.305 12.911 1.00 209.29 61 1.B 188 ? 1 -ATOM C CG LYS 1.B 1 61 . -2.931 19.074 13.618 1.00 207.35 61 1.B 189 ? 1 -ATOM C CD LYS 1.B 1 61 . -3.603 18.121 12.641 1.00 206.06 61 1.B 190 ? 1 -ATOM C CE LYS 1.B 1 61 . -4.151 16.893 13.354 1.00 203.61 61 1.B 191 ? 1 -ATOM N NZ LYS 1.B 1 61 . -4.849 15.965 12.421 1.00 202.74 61 1.B 192 ? 1 -ATOM N N VAL 1.B 1 62 . -1.836 23.563 13.001 1.00 226.72 62 1.B 193 ? 1 -ATOM C CA VAL 1.B 1 62 . -1.431 24.725 12.215 1.00 228.23 62 1.B 194 ? 1 -ATOM C C VAL 1.B 1 62 . -0.795 25.814 13.077 1.00 225.22 62 1.B 195 ? 1 -ATOM O O VAL 1.B 1 62 . -1.426 26.342 13.995 1.00 222.47 62 1.B 196 ? 1 -ATOM C CB VAL 1.B 1 62 . -2.622 25.320 11.437 1.00 226.71 62 1.B 197 ? 1 -ATOM C CG1 VAL 1.B 1 62 . -2.160 26.473 10.558 1.00 227.89 62 1.B 198 ? 1 -ATOM C CG2 VAL 1.B 1 62 . -3.299 24.244 10.600 1.00 225.98 62 1.B 199 ? 1 -ATOM N N GLY 1.B 1 63 . 0.457 26.144 12.773 1.00 218.52 63 1.B 200 ? 1 -ATOM C CA GLY 1.B 1 63 . 1.175 27.181 13.492 1.00 215.06 63 1.B 201 ? 1 -ATOM C C GLY 1.B 1 63 . 0.854 28.565 12.963 1.00 212.02 63 1.B 202 ? 1 -ATOM O O GLY 1.B 1 63 . -0.209 29.114 13.248 1.00 212.19 63 1.B 203 ? 1 -ATOM N N GLU 1.B 1 64 . 1.775 29.132 12.190 1.00 208.40 64 1.B 204 ? 1 -ATOM C CA GLU 1.B 1 64 . 1.554 30.437 11.576 1.00 207.15 64 1.B 205 ? 1 -ATOM C C GLU 1.B 1 64 . 0.531 30.328 10.455 1.00 206.60 64 1.B 206 ? 1 -ATOM O O GLU 1.B 1 64 . -0.298 29.419 10.445 1.00 205.31 64 1.B 207 ? 1 -ATOM C CB GLU 1.B 1 64 . 2.862 31.006 11.025 1.00 210.98 64 1.B 208 ? 1 -ATOM C CG GLU 1.B 1 64 . 3.870 31.408 12.088 1.00 213.29 64 1.B 209 ? 1 -ATOM C CD GLU 1.B 1 64 . 5.138 31.992 11.493 1.00 217.35 64 1.B 210 ? 1 -ATOM O OE1 GLU 1.B 1 64 . 5.308 31.907 10.259 1.00 220.18 64 1.B 211 ? 1 -ATOM O OE2 GLU 1.B 1 64 . 5.965 32.534 12.256 1.00 217.51 64 1.B 212 ? 1 -ATOM N N LEU 1.B 1 65 . 0.597 31.258 9.508 1.00 208.19 65 1.B 213 ? 1 -ATOM C CA LEU 1.B 1 65 . -0.302 31.243 8.361 1.00 208.91 65 1.B 214 ? 1 -ATOM C C LEU 1.B 1 65 . 0.389 31.753 7.101 1.00 214.12 65 1.B 215 ? 1 -ATOM O O LEU 1.B 1 65 . 0.315 32.937 6.773 1.00 212.83 65 1.B 216 ? 1 -ATOM C CB LEU 1.B 1 65 . -1.560 32.063 8.651 1.00 205.10 65 1.B 217 ? 1 -ATOM C CG LEU 1.B 1 65 . -2.547 31.427 9.633 1.00 201.73 65 1.B 218 ? 1 -ATOM C CD1 LEU 1.B 1 65 . -3.688 32.378 9.951 1.00 199.03 65 1.B 219 ? 1 -ATOM C CD2 LEU 1.B 1 65 . -3.078 30.111 9.085 1.00 201.10 65 1.B 220 ? 1 -ATOM N N LYS 1.B 1 66 . 1.060 30.845 6.399 1.00 226.38 66 1.B 221 ? 1 -ATOM C CA LYS 1.B 1 66 . 1.760 31.183 5.166 1.00 232.10 66 1.B 222 ? 1 -ATOM C C LYS 1.B 1 66 . 0.781 31.230 3.998 1.00 229.33 66 1.B 223 ? 1 -ATOM O O LYS 1.B 1 66 . 0.026 30.283 3.778 1.00 227.90 66 1.B 224 ? 1 -ATOM C CB LYS 1.B 1 66 . 2.852 30.152 4.870 1.00 237.81 66 1.B 225 ? 1 -ATOM C CG LYS 1.B 1 66 . 3.596 29.638 6.095 1.00 238.15 66 1.B 226 ? 1 -ATOM C CD LYS 1.B 1 66 . 4.571 30.666 6.640 1.00 239.33 66 1.B 227 ? 1 -ATOM C CE LYS 1.B 1 66 . 5.394 30.087 7.781 1.00 238.82 66 1.B 228 ? 1 -ATOM N NZ LYS 1.B 1 66 . 6.178 28.894 7.357 1.00 240.93 66 1.B 229 ? 1 -ATOM N N ASP 1.B 1 67 . 0.797 32.328 3.249 1.00 221.94 67 1.B 230 ? 1 -ATOM C CA ASP 1.B 1 67 . -0.061 32.459 2.077 1.00 221.67 67 1.B 231 ? 1 -ATOM C C ASP 1.B 1 67 . 0.270 31.381 1.048 1.00 225.69 67 1.B 232 ? 1 -ATOM O O ASP 1.B 1 67 . -0.593 30.953 0.281 1.00 224.33 67 1.B 233 ? 1 -ATOM C CB ASP 1.B 1 67 . 0.084 33.851 1.456 1.00 223.47 67 1.B 234 ? 1 -ATOM C CG ASP 1.B 1 67 . -0.912 34.099 0.336 1.00 225.04 67 1.B 235 ? 1 -ATOM O OD1 ASP 1.B 1 67 . -1.822 33.265 0.146 1.00 224.25 67 1.B 236 ? 1 -ATOM O OD2 ASP 1.B 1 67 . -0.788 35.133 -0.355 1.00 227.03 67 1.B 237 ? 1 -ATOM N N ASP 1.B 1 68 . 1.526 30.944 1.041 1.00 236.82 68 1.B 238 ? 1 -ATOM C CA ASP 1.B 1 68 . 1.979 29.913 0.113 1.00 238.38 68 1.B 239 ? 1 -ATOM C C ASP 1.B 1 68 . 1.431 28.537 0.488 1.00 234.27 68 1.B 240 ? 1 -ATOM O O ASP 1.B 1 68 . 1.123 27.725 -0.384 1.00 236.28 68 1.B 241 ? 1 -ATOM C CB ASP 1.B 1 68 . 3.509 29.871 0.056 1.00 241.24 68 1.B 242 ? 1 -ATOM C CG ASP 1.B 1 68 . 4.109 31.146 -0.508 1.00 241.00 68 1.B 243 ? 1 -ATOM O OD1 ASP 1.B 1 68 . 3.364 32.133 -0.683 1.00 237.76 68 1.B 244 ? 1 -ATOM O OD2 ASP 1.B 1 68 . 5.329 31.161 -0.774 1.00 243.97 68 1.B 245 ? 1 -ATOM N N ASP 1.B 1 69 . 1.314 28.282 1.789 1.00 217.60 69 1.B 246 ? 1 -ATOM C CA ASP 1.B 1 69 . 0.792 27.010 2.279 1.00 211.69 69 1.B 247 ? 1 -ATOM C C ASP 1.B 1 69 . -0.603 26.735 1.732 1.00 210.69 69 1.B 248 ? 1 -ATOM O O ASP 1.B 1 69 . -0.987 25.582 1.538 1.00 210.16 69 1.B 249 ? 1 -ATOM C CB ASP 1.B 1 69 . 0.767 26.993 3.808 1.00 205.86 69 1.B 250 ? 1 -ATOM C CG ASP 1.B 1 69 . 2.155 26.956 4.413 1.00 208.16 69 1.B 251 ? 1 -ATOM O OD1 ASP 1.B 1 69 . 3.141 27.037 3.649 1.00 211.39 69 1.B 252 ? 1 -ATOM O OD2 ASP 1.B 1 69 . 2.262 26.844 5.652 1.00 206.92 69 1.B 253 ? 1 -ATOM N N PHE 1.B 1 70 . -1.356 27.803 1.486 1.00 219.92 70 1.B 254 ? 1 -ATOM C CA PHE 1.B 1 70 . -2.704 27.685 0.943 1.00 220.40 70 1.B 255 ? 1 -ATOM C C PHE 1.B 1 70 . -2.674 27.536 -0.572 1.00 220.63 70 1.B 256 ? 1 -ATOM O O PHE 1.B 1 70 . -1.974 28.275 -1.265 1.00 223.04 70 1.B 257 ? 1 -ATOM C CB PHE 1.B 1 70 . -3.550 28.902 1.326 1.00 221.37 70 1.B 258 ? 1 -ATOM C CG PHE 1.B 1 70 . -3.660 29.120 2.807 1.00 220.90 70 1.B 259 ? 1 -ATOM C CD1 PHE 1.B 1 70 . -4.511 28.342 3.572 1.00 218.76 70 1.B 260 ? 1 -ATOM C CD2 PHE 1.B 1 70 . -2.915 30.104 3.433 1.00 222.26 70 1.B 261 ? 1 -ATOM C CE1 PHE 1.B 1 70 . -4.615 28.539 4.936 1.00 216.33 70 1.B 262 ? 1 -ATOM C CE2 PHE 1.B 1 70 . -3.014 30.306 4.797 1.00 219.40 70 1.B 263 ? 1 -ATOM C CZ PHE 1.B 1 70 . -3.865 29.523 5.549 1.00 216.10 70 1.B 264 ? 1 -ATOM N N GLU 1.B 1 71 . -3.440 26.578 -1.082 1.00 211.23 71 1.B 265 ? 1 -ATOM C CA GLU 1.B 1 71 . -3.501 26.333 -2.516 1.00 213.63 71 1.B 266 ? 1 -ATOM C C GLU 1.B 1 71 . -4.917 26.548 -3.037 1.00 212.48 71 1.B 267 ? 1 -ATOM O O GLU 1.B 1 71 . -5.790 25.700 -2.857 1.00 210.21 71 1.B 268 ? 1 -ATOM C CB GLU 1.B 1 71 . -3.024 24.915 -2.836 1.00 215.31 71 1.B 269 ? 1 -ATOM C CG GLU 1.B 1 71 . -1.732 24.530 -2.131 1.00 214.20 71 1.B 270 ? 1 -ATOM C CD GLU 1.B 1 71 . -1.266 23.132 -2.486 1.00 213.32 71 1.B 271 ? 1 -ATOM O OE1 GLU 1.B 1 71 . -1.048 22.864 -3.686 1.00 214.92 71 1.B 272 ? 1 -ATOM O OE2 GLU 1.B 1 71 . -1.124 22.301 -1.563 1.00 210.83 71 1.B 273 ? 1 -ATOM N N LYS 1.B 1 72 . -5.132 27.692 -3.679 1.00 219.68 72 1.B 274 ? 1 -ATOM C CA LYS 1.B 1 72 . -6.440 28.057 -4.215 1.00 218.79 72 1.B 275 ? 1 -ATOM C C LYS 1.B 1 72 . -7.080 26.894 -4.969 1.00 223.10 72 1.B 276 ? 1 -ATOM O O LYS 1.B 1 72 . -6.419 26.210 -5.751 1.00 228.70 72 1.B 277 ? 1 -ATOM C CB LYS 1.B 1 72 . -6.307 29.276 -5.132 1.00 218.06 72 1.B 278 ? 1 -ATOM C CG LYS 1.B 1 72 . -7.617 29.974 -5.455 1.00 211.89 72 1.B 279 ? 1 -ATOM C CD LYS 1.B 1 72 . -7.366 31.262 -6.227 1.00 210.21 72 1.B 280 ? 1 -ATOM C CE LYS 1.B 1 72 . -8.658 32.014 -6.498 1.00 203.96 72 1.B 281 ? 1 -ATOM N NZ LYS 1.B 1 72 . -8.413 33.315 -7.181 1.00 202.71 72 1.B 282 ? 1 -ATOM N N ILE 1.B 1 73 . -8.369 26.675 -4.725 1.00 218.55 73 1.B 283 ? 1 -ATOM C CA ILE 1.B 1 73 . -9.094 25.567 -5.340 1.00 219.89 73 1.B 284 ? 1 -ATOM C C ILE 1.B 1 73 . -10.277 26.056 -6.169 1.00 221.88 73 1.B 285 ? 1 -ATOM O O ILE 1.B 1 73 . -10.179 26.192 -7.390 1.00 225.25 73 1.B 286 ? 1 -ATOM C CB ILE 1.B 1 73 . -9.604 24.572 -4.279 1.00 214.14 73 1.B 287 ? 1 -ATOM C CG1 ILE 1.B 1 73 . -8.438 24.035 -3.447 1.00 214.18 73 1.B 288 ? 1 -ATOM C CG2 ILE 1.B 1 73 . -10.382 23.437 -4.933 1.00 214.52 73 1.B 289 ? 1 -ATOM C CD1 ILE 1.B 1 73 . -7.333 23.408 -4.272 1.00 219.15 73 1.B 290 ? 1 -ATOM N N SER 1.B 1 74 . -11.395 26.318 -5.498 1.00 219.45 74 1.B 291 ? 1 -ATOM C CA SER 1.B 1 74 . -12.605 26.771 -6.173 1.00 218.69 74 1.B 292 ? 1 -ATOM C C SER 1.B 1 74 . -13.204 27.996 -5.491 1.00 216.73 74 1.B 293 ? 1 -ATOM O O SER 1.B 1 74 . -13.190 28.108 -4.265 1.00 213.64 74 1.B 294 ? 1 -ATOM C CB SER 1.B 1 74 . -13.642 25.648 -6.221 1.00 216.44 74 1.B 295 ? 1 -ATOM O OG SER 1.B 1 74 . -14.089 25.315 -4.918 1.00 211.98 74 1.B 296 ? 1 -ATOM N N GLU 1.B 1 75 . -13.731 28.912 -6.297 1.00 225.50 75 1.B 297 ? 1 -ATOM C CA GLU 1.B 1 75 . -14.392 30.102 -5.780 1.00 222.80 75 1.B 298 ? 1 -ATOM C C GLU 1.B 1 75 . -15.702 29.712 -5.101 1.00 219.89 75 1.B 299 ? 1 -ATOM O O GLU 1.B 1 75 . -16.299 28.689 -5.437 1.00 224.53 75 1.B 300 ? 1 -ATOM C CB GLU 1.B 1 75 . -14.663 31.089 -6.916 1.00 224.04 75 1.B 301 ? 1 -ATOM C CG GLU 1.B 1 75 . -15.197 32.437 -6.463 1.00 221.21 75 1.B 302 ? 1 -ATOM C CD GLU 1.B 1 75 . -15.640 33.303 -7.625 1.00 222.87 75 1.B 303 ? 1 -ATOM O OE1 GLU 1.B 1 75 . -15.792 32.765 -8.742 1.00 226.44 75 1.B 304 ? 1 -ATOM O OE2 GLU 1.B 1 75 . -15.840 34.518 -7.422 1.00 220.53 75 1.B 305 ? 1 -ATOM N N LEU 1.B 1 76 . -16.145 30.525 -4.147 1.00 199.96 76 1.B 306 ? 1 -ATOM C CA LEU 1.B 1 76 . -17.389 30.250 -3.433 1.00 189.20 76 1.B 307 ? 1 -ATOM C C LEU 1.B 1 76 . -18.399 31.388 -3.569 1.00 187.00 76 1.B 308 ? 1 -ATOM O O LEU 1.B 1 76 . -19.411 31.252 -4.259 1.00 186.33 76 1.B 309 ? 1 -ATOM C CB LEU 1.B 1 76 . -17.113 29.955 -1.956 1.00 179.47 76 1.B 310 ? 1 -ATOM C CG LEU 1.B 1 76 . -16.283 28.702 -1.670 1.00 176.99 76 1.B 311 ? 1 -ATOM C CD1 LEU 1.B 1 76 . -16.170 28.457 -0.174 1.00 172.72 76 1.B 312 ? 1 -ATOM C CD2 LEU 1.B 1 76 . -16.887 27.494 -2.365 1.00 179.10 76 1.B 313 ? 1 -ATOM N N GLY 1.B 1 77 . -18.124 32.508 -2.907 1.00 190.35 77 1.B 314 ? 1 -ATOM C CA GLY 1.B 1 77 . -19.030 33.642 -2.933 1.00 188.46 77 1.B 315 ? 1 -ATOM C C GLY 1.B 1 77 . -18.321 34.982 -2.952 1.00 187.91 77 1.B 316 ? 1 -ATOM O O GLY 1.B 1 77 . -17.098 35.047 -3.078 1.00 188.04 77 1.B 317 ? 1 -ATOM N N ALA 1.B 1 78 . -19.098 36.054 -2.825 1.00 191.24 78 1.B 318 ? 1 -ATOM C CA ALA 1.B 1 78 . -18.557 37.410 -2.845 1.00 189.82 78 1.B 319 ? 1 -ATOM C C ALA 1.B 1 78 . -19.573 38.415 -2.309 1.00 183.80 78 1.B 320 ? 1 -ATOM O O ALA 1.B 1 78 . -20.779 38.179 -2.362 1.00 182.23 78 1.B 321 ? 1 -ATOM C CB ALA 1.B 1 78 . -18.131 37.787 -4.257 1.00 192.48 78 1.B 322 ? 1 -ATOM N N GLY 1.B 1 79 . -19.079 39.538 -1.795 1.00 171.17 79 1.B 323 ? 1 -ATOM C CA GLY 1.B 1 79 . -19.947 40.578 -1.270 1.00 165.41 79 1.B 324 ? 1 -ATOM C C GLY 1.B 1 79 . -19.213 41.600 -0.423 1.00 161.75 79 1.B 325 ? 1 -ATOM O O GLY 1.B 1 79 . -19.825 42.316 0.371 1.00 157.26 79 1.B 326 ? 1 -ATOM N N VAL 1.B 1 83 . -14.765 37.962 -0.607 1.00 148.62 83 1.B 327 ? 1 -ATOM C CA VAL 1.B 1 83 . -14.739 36.773 -1.452 1.00 157.41 83 1.B 328 ? 1 -ATOM C C VAL 1.B 1 83 . -14.186 35.560 -0.710 1.00 162.52 83 1.B 329 ? 1 -ATOM O O VAL 1.B 1 83 . -13.184 35.655 -0.001 1.00 161.67 83 1.B 330 ? 1 -ATOM C CB VAL 1.B 1 83 . -13.896 37.000 -2.715 1.00 164.51 83 1.B 331 ? 1 -ATOM C CG1 VAL 1.B 1 83 . -14.032 35.813 -3.656 1.00 165.67 83 1.B 332 ? 1 -ATOM C CG2 VAL 1.B 1 83 . -14.315 38.288 -3.404 1.00 168.31 83 1.B 333 ? 1 -ATOM N N VAL 1.B 1 84 . -14.840 34.417 -0.888 1.00 172.85 84 1.B 334 ? 1 -ATOM C CA VAL 1.B 1 84 . -14.445 33.194 -0.201 1.00 176.15 84 1.B 335 ? 1 -ATOM C C VAL 1.B 1 84 . -14.009 32.114 -1.187 1.00 182.90 84 1.B 336 ? 1 -ATOM O O VAL 1.B 1 84 . -14.607 31.954 -2.251 1.00 185.36 84 1.B 337 ? 1 -ATOM C CB VAL 1.B 1 84 . -15.595 32.646 0.663 1.00 173.06 84 1.B 338 ? 1 -ATOM C CG1 VAL 1.B 1 84 . -15.116 31.473 1.503 1.00 175.14 84 1.B 339 ? 1 -ATOM C CG2 VAL 1.B 1 84 . -16.163 33.745 1.547 1.00 167.45 84 1.B 340 ? 1 -ATOM N N PHE 1.B 1 85 . -12.962 31.377 -0.825 1.00 179.40 85 1.B 341 ? 1 -ATOM C CA PHE 1.B 1 85 . -12.461 30.289 -1.656 1.00 183.15 85 1.B 342 ? 1 -ATOM C C PHE 1.B 1 85 . -12.307 29.008 -0.846 1.00 184.61 85 1.B 343 ? 1 -ATOM O O PHE 1.B 1 85 . -11.828 29.035 0.288 1.00 182.17 85 1.B 344 ? 1 -ATOM C CB PHE 1.B 1 85 . -11.117 30.664 -2.278 1.00 187.67 85 1.B 345 ? 1 -ATOM C CG PHE 1.B 1 85 . -11.179 31.864 -3.174 1.00 190.79 85 1.B 346 ? 1 -ATOM C CD1 PHE 1.B 1 85 . -11.611 31.745 -4.483 1.00 194.02 85 1.B 347 ? 1 -ATOM C CD2 PHE 1.B 1 85 . -10.804 33.113 -2.706 1.00 190.35 85 1.B 348 ? 1 -ATOM C CE1 PHE 1.B 1 85 . -11.669 32.848 -5.311 1.00 196.07 85 1.B 349 ? 1 -ATOM C CE2 PHE 1.B 1 85 . -10.859 34.221 -3.528 1.00 192.17 85 1.B 350 ? 1 -ATOM C CZ PHE 1.B 1 85 . -11.291 34.089 -4.833 1.00 195.29 85 1.B 351 ? 1 -ATOM N N LYS 1.B 1 86 . -12.713 27.889 -1.436 1.00 191.53 86 1.B 352 ? 1 -ATOM C CA LYS 1.B 1 86 . -12.562 26.585 -0.802 1.00 195.85 86 1.B 353 ? 1 -ATOM C C LYS 1.B 1 86 . -11.138 26.069 -1.000 1.00 204.02 86 1.B 354 ? 1 -ATOM O O LYS 1.B 1 86 . -10.918 25.095 -1.719 1.00 208.31 86 1.B 355 ? 1 -ATOM C CB LYS 1.B 1 86 . -13.573 25.591 -1.384 1.00 195.13 86 1.B 356 ? 1 -ATOM C CG LYS 1.B 1 86 . -13.576 24.224 -0.709 1.00 193.74 86 1.B 357 ? 1 -ATOM C CD LYS 1.B 1 86 . -14.430 23.222 -1.477 1.00 191.79 86 1.B 358 ? 1 -ATOM C CE LYS 1.B 1 86 . -14.325 21.828 -0.872 1.00 188.32 86 1.B 359 ? 1 -ATOM N NZ LYS 1.B 1 86 . -15.104 20.816 -1.641 1.00 187.16 86 1.B 360 ? 1 -ATOM N N VAL 1.B 1 87 . -10.175 26.727 -0.360 1.00 207.07 87 1.B 361 ? 1 -ATOM C CA VAL 1.B 1 87 . -8.766 26.376 -0.524 1.00 212.20 87 1.B 362 ? 1 -ATOM C C VAL 1.B 1 87 . -8.358 25.177 0.328 1.00 212.02 87 1.B 363 ? 1 -ATOM O O VAL 1.B 1 87 . -9.184 24.580 1.019 1.00 208.90 87 1.B 364 ? 1 -ATOM C CB VAL 1.B 1 87 . -7.836 27.562 -0.189 1.00 212.81 87 1.B 365 ? 1 -ATOM C CG1 VAL 1.B 1 87 . -8.171 28.765 -1.056 1.00 212.54 87 1.B 366 ? 1 -ATOM C CG2 VAL 1.B 1 87 . -7.930 27.914 1.288 1.00 209.40 87 1.B 367 ? 1 -ATOM N N SER 1.B 1 88 . -7.074 24.834 0.270 1.00 211.76 88 1.B 368 ? 1 -ATOM C CA SER 1.B 1 88 . -6.542 23.706 1.024 1.00 208.48 88 1.B 369 ? 1 -ATOM C C SER 1.B 1 88 . -5.170 24.025 1.609 1.00 207.73 88 1.B 370 ? 1 -ATOM O O SER 1.B 1 88 . -4.294 24.547 0.919 1.00 209.08 88 1.B 371 ? 1 -ATOM C CB SER 1.B 1 88 . -6.457 22.462 0.137 1.00 208.76 88 1.B 372 ? 1 -ATOM O OG SER 1.B 1 88 . -7.727 22.129 -0.396 1.00 206.01 88 1.B 373 ? 1 -ATOM N N HIS 1.B 1 89 . -4.992 23.706 2.886 1.00 208.13 89 1.B 374 ? 1 -ATOM C CA HIS 1.B 1 89 . -3.727 23.931 3.572 1.00 212.60 89 1.B 375 ? 1 -ATOM C C HIS 1.B 1 89 . -2.803 22.735 3.357 1.00 215.77 89 1.B 376 ? 1 -ATOM O O HIS 1.B 1 89 . -3.082 21.637 3.836 1.00 217.22 89 1.B 377 ? 1 -ATOM C CB HIS 1.B 1 89 . -3.976 24.152 5.065 1.00 215.02 89 1.B 378 ? 1 -ATOM C CG HIS 1.B 1 89 . -2.796 24.703 5.804 1.00 221.02 89 1.B 379 ? 1 -ATOM N ND1 HIS 1.B 1 89 . -2.115 23.983 6.762 1.00 224.03 89 1.B 380 ? 1 -ATOM C CD2 HIS 1.B 1 89 . -2.179 25.906 5.729 1.00 223.71 89 1.B 381 ? 1 -ATOM C CE1 HIS 1.B 1 89 . -1.129 24.717 7.244 1.00 225.87 89 1.B 382 ? 1 -ATOM N NE2 HIS 1.B 1 89 . -1.145 25.889 6.633 1.00 225.85 89 1.B 383 ? 1 -ATOM N N LYS 1.B 1 90 . -1.708 22.950 2.632 1.00 211.41 90 1.B 384 ? 1 -ATOM C CA LYS 1.B 1 90 . -0.789 21.864 2.297 1.00 211.89 90 1.B 385 ? 1 -ATOM C C LYS 1.B 1 90 . -0.129 21.213 3.517 1.00 214.21 90 1.B 386 ? 1 -ATOM O O LYS 1.B 1 90 . -0.186 19.992 3.670 1.00 216.54 90 1.B 387 ? 1 -ATOM C CB LYS 1.B 1 90 . 0.282 22.333 1.307 1.00 211.14 90 1.B 388 ? 1 -ATOM C CG LYS 1.B 1 90 . 1.328 21.272 0.998 1.00 212.56 90 1.B 389 ? 1 -ATOM C CD LYS 1.B 1 90 . 2.534 21.859 0.284 1.00 212.49 90 1.B 390 ? 1 -ATOM C CE LYS 1.B 1 90 . 3.608 20.804 0.063 1.00 211.77 90 1.B 391 ? 1 -ATOM N NZ LYS 1.B 1 90 . 4.825 21.376 -0.577 1.00 213.37 90 1.B 392 ? 1 -ATOM N N PRO 1.B 1 91 . 0.507 22.023 4.383 1.00 219.42 91 1.B 393 ? 1 -ATOM C CA PRO 1.B 1 91 . 1.200 21.473 5.555 1.00 219.39 91 1.B 394 ? 1 -ATOM C C PRO 1.B 1 91 . 0.295 20.590 6.409 1.00 218.05 91 1.B 395 ? 1 -ATOM O O PRO 1.B 1 91 . 0.618 19.425 6.645 1.00 220.43 91 1.B 396 ? 1 -ATOM C CB PRO 1.B 1 91 . 1.604 22.725 6.339 1.00 216.99 91 1.B 397 ? 1 -ATOM C CG PRO 1.B 1 91 . 1.713 23.788 5.311 1.00 217.71 91 1.B 398 ? 1 -ATOM C CD PRO 1.B 1 91 . 0.641 23.489 4.305 1.00 217.96 91 1.B 399 ? 1 -ATOM N N SER 1.B 1 92 . -0.823 21.144 6.867 1.00 211.76 92 1.B 400 ? 1 -ATOM C CA SER 1.B 1 92 . -1.775 20.392 7.676 1.00 210.16 92 1.B 401 ? 1 -ATOM C C SER 1.B 1 92 . -2.607 19.454 6.806 1.00 209.70 92 1.B 402 ? 1 -ATOM O O SER 1.B 1 92 . -3.497 18.760 7.300 1.00 205.63 92 1.B 403 ? 1 -ATOM C CB SER 1.B 1 92 . -2.687 21.344 8.453 1.00 208.20 92 1.B 404 ? 1 -ATOM O OG SER 1.B 1 92 . -3.507 20.638 9.369 1.00 207.22 92 1.B 405 ? 1 -ATOM N N GLY 1.B 1 93 . -2.305 19.437 5.510 1.00 217.10 93 1.B 406 ? 1 -ATOM C CA GLY 1.B 1 93 . -3.009 18.590 4.564 1.00 218.36 93 1.B 407 ? 1 -ATOM C C GLY 1.B 1 93 . -4.507 18.617 4.782 1.00 213.96 93 1.B 408 ? 1 -ATOM O O GLY 1.B 1 93 . -5.138 17.576 4.959 1.00 215.09 93 1.B 409 ? 1 -ATOM N N LEU 1.B 1 94 . -5.077 19.817 4.770 1.00 204.18 94 1.B 410 ? 1 -ATOM C CA LEU 1.B 1 94 . -6.490 19.990 5.079 1.00 201.83 94 1.B 411 ? 1 -ATOM C C LEU 1.B 1 94 . -7.179 20.914 4.078 1.00 204.28 94 1.B 412 ? 1 -ATOM O O LEU 1.B 1 94 . -6.524 21.541 3.246 1.00 204.68 94 1.B 413 ? 1 -ATOM C CB LEU 1.B 1 94 . -6.648 20.539 6.498 1.00 196.04 94 1.B 414 ? 1 -ATOM C CG LEU 1.B 1 94 . -8.060 20.583 7.081 1.00 193.52 94 1.B 415 ? 1 -ATOM C CD1 LEU 1.B 1 94 . -8.737 19.228 6.944 1.00 194.51 94 1.B 416 ? 1 -ATOM C CD2 LEU 1.B 1 94 . -8.022 21.028 8.534 1.00 192.44 94 1.B 417 ? 1 -ATOM N N VAL 1.B 1 95 . -8.504 20.982 4.163 1.00 211.61 95 1.B 418 ? 1 -ATOM C CA VAL 1.B 1 95 . -9.292 21.877 3.324 1.00 211.80 95 1.B 419 ? 1 -ATOM C C VAL 1.B 1 95 . -10.173 22.786 4.177 1.00 207.73 95 1.B 420 ? 1 -ATOM O O VAL 1.B 1 95 . -11.203 22.359 4.699 1.00 205.39 95 1.B 421 ? 1 -ATOM C CB VAL 1.B 1 95 . -10.175 21.098 2.328 1.00 213.18 95 1.B 422 ? 1 -ATOM C CG1 VAL 1.B 1 95 . -10.880 19.943 3.026 1.00 212.54 95 1.B 423 ? 1 -ATOM C CG2 VAL 1.B 1 95 . -11.181 22.031 1.664 1.00 210.33 95 1.B 424 ? 1 -ATOM N N MET 1.B 1 96 . -9.759 24.040 4.318 1.00 208.42 96 1.B 425 ? 1 -ATOM C CA MET 1.B 1 96 . -10.504 25.005 5.117 1.00 204.15 96 1.B 426 ? 1 -ATOM C C MET 1.B 1 96 . -11.036 26.138 4.245 1.00 204.15 96 1.B 427 ? 1 -ATOM O O MET 1.B 1 96 . -10.453 26.459 3.209 1.00 210.19 96 1.B 428 ? 1 -ATOM C CB MET 1.B 1 96 . -9.623 25.561 6.239 1.00 199.77 96 1.B 429 ? 1 -ATOM C CG MET 1.B 1 96 . -8.310 26.164 5.762 1.00 198.59 96 1.B 430 ? 1 -ATOM S SD MET 1.B 1 96 . -7.233 26.665 7.118 1.00 588.25 96 1.B 431 ? 1 -ATOM C CE MET 1.B 1 96 . -6.893 25.083 7.885 1.00 602.53 96 1.B 432 ? 1 -ATOM N N ALA 1.B 1 97 . -12.148 26.737 4.663 1.00 191.43 97 1.B 433 ? 1 -ATOM C CA ALA 1.B 1 97 . -12.735 27.852 3.928 1.00 182.76 97 1.B 434 ? 1 -ATOM C C ALA 1.B 1 97 . -12.003 29.152 4.247 1.00 173.24 97 1.B 435 ? 1 -ATOM O O ALA 1.B 1 97 . -11.605 29.383 5.389 1.00 171.55 97 1.B 436 ? 1 -ATOM C CB ALA 1.B 1 97 . -14.213 27.979 4.249 1.00 181.51 97 1.B 437 ? 1 -ATOM N N ARG 1.B 1 98 . -11.829 30.000 3.237 1.00 160.11 98 1.B 438 ? 1 -ATOM C CA ARG 1.B 1 98 . -11.081 31.242 3.413 1.00 157.25 98 1.B 439 ? 1 -ATOM C C ARG 1.B 1 98 . -11.742 32.437 2.729 1.00 157.50 98 1.B 440 ? 1 -ATOM O O ARG 1.B 1 98 . -12.147 32.359 1.570 1.00 157.37 98 1.B 441 ? 1 -ATOM C CB ARG 1.B 1 98 . -9.646 31.076 2.906 1.00 159.36 98 1.B 442 ? 1 -ATOM C CG ARG 1.B 1 98 . -8.811 32.350 2.944 1.00 161.13 98 1.B 443 ? 1 -ATOM C CD ARG 1.B 1 98 . -7.411 32.093 2.408 1.00 166.23 98 1.B 444 ? 1 -ATOM N NE ARG 1.B 1 98 . -6.649 33.322 2.205 1.00 165.65 98 1.B 445 ? 1 -ATOM C CZ ARG 1.B 1 98 . -5.456 33.369 1.621 1.00 166.78 98 1.B 446 ? 1 -ATOM N NH1 ARG 1.B 1 98 . -4.888 32.253 1.182 1.00 166.68 98 1.B 447 ? 1 -ATOM N NH2 ARG 1.B 1 98 . -4.830 34.529 1.473 1.00 168.46 98 1.B 448 ? 1 -ATOM N N LYS 1.B 1 99 . -11.841 33.542 3.462 1.00 163.54 99 1.B 449 ? 1 -ATOM C CA LYS 1.B 1 99 . -12.394 34.785 2.938 1.00 164.13 99 1.B 450 ? 1 -ATOM C C LYS 1.B 1 99 . -11.322 35.871 2.937 1.00 167.52 99 1.B 451 ? 1 -ATOM O O LYS 1.B 1 99 . -10.416 35.859 3.769 1.00 167.55 99 1.B 452 ? 1 -ATOM C CB LYS 1.B 1 99 . -13.595 35.230 3.780 1.00 160.86 99 1.B 453 ? 1 -ATOM C CG LYS 1.B 1 99 . -14.144 36.610 3.429 1.00 158.13 99 1.B 454 ? 1 -ATOM C CD LYS 1.B 1 99 . -15.227 37.067 4.408 1.00 150.98 99 1.B 455 ? 1 -ATOM C CE LYS 1.B 1 99 . -16.534 36.313 4.204 1.00 146.77 99 1.B 456 ? 1 -ATOM N NZ LYS 1.B 1 99 . -17.632 36.866 5.047 1.00 141.97 99 1.B 457 ? 1 -ATOM N N LEU 1.B 1 100 . -11.425 36.804 1.996 1.00 172.49 100 1.B 458 ? 1 -ATOM C CA LEU 1.B 1 100 . -10.487 37.920 1.911 1.00 177.38 100 1.B 459 ? 1 -ATOM C C LEU 1.B 1 100 . -11.014 39.023 0.998 1.00 182.85 100 1.B 460 ? 1 -ATOM O O LEU 1.B 1 100 . -11.594 38.747 -0.052 1.00 186.66 100 1.B 461 ? 1 -ATOM C CB LEU 1.B 1 100 . -9.107 37.440 1.444 1.00 180.06 100 1.B 462 ? 1 -ATOM C CG LEU 1.B 1 100 . -9.029 36.264 0.465 1.00 181.00 100 1.B 463 ? 1 -ATOM C CD1 LEU 1.B 1 100 . -9.627 36.619 -0.888 1.00 183.23 100 1.B 464 ? 1 -ATOM C CD2 LEU 1.B 1 100 . -7.590 35.807 0.306 1.00 182.48 100 1.B 465 ? 1 -ATOM N N ILE 1.B 1 101 . -10.822 40.274 1.406 1.00 182.49 101 1.B 466 ? 1 -ATOM C CA ILE 1.B 1 101 . -11.281 41.406 0.608 1.00 184.31 101 1.B 467 ? 1 -ATOM C C ILE 1.B 1 101 . -10.241 42.521 0.532 1.00 184.66 101 1.B 468 ? 1 -ATOM O O ILE 1.B 1 101 . -9.538 42.799 1.505 1.00 182.12 101 1.B 469 ? 1 -ATOM C CB ILE 1.B 1 101 . -12.618 41.974 1.133 1.00 183.22 101 1.B 470 ? 1 -ATOM C CG1 ILE 1.B 1 101 . -13.714 40.907 1.078 1.00 180.33 101 1.B 471 ? 1 -ATOM C CG2 ILE 1.B 1 101 . -13.036 43.194 0.325 1.00 184.10 101 1.B 472 ? 1 -ATOM C CD1 ILE 1.B 1 101 . -15.102 41.434 1.378 1.00 175.25 101 1.B 473 ? 1 -ATOM N N HIS 1.B 1 102 . -10.154 43.148 -0.637 1.00 187.97 102 1.B 474 ? 1 -ATOM C CA HIS 1.B 1 102 . -9.210 44.233 -0.888 1.00 192.68 102 1.B 475 ? 1 -ATOM C C HIS 1.B 1 102 . -9.134 45.222 0.270 1.00 188.13 102 1.B 476 ? 1 -ATOM O O HIS 1.B 1 102 . -10.153 45.732 0.733 1.00 183.50 102 1.B 477 ? 1 -ATOM C CB HIS 1.B 1 102 . -9.589 44.967 -2.177 1.00 199.85 102 1.B 478 ? 1 -ATOM C CG HIS 1.B 1 102 . -8.714 46.141 -2.488 1.00 208.76 102 1.B 479 ? 1 -ATOM N ND1 HIS 1.B 1 102 . -7.580 46.039 -3.265 1.00 216.45 102 1.B 480 ? 1 -ATOM C CD2 HIS 1.B 1 102 . -8.812 47.445 -2.137 1.00 210.52 102 1.B 481 ? 1 -ATOM C CE1 HIS 1.B 1 102 . -7.015 47.228 -3.375 1.00 219.63 102 1.B 482 ? 1 -ATOM N NE2 HIS 1.B 1 102 . -7.743 48.099 -2.699 1.00 216.31 102 1.B 483 ? 1 -ATOM N N LEU 1.B 1 103 . -7.915 45.488 0.729 1.00 185.33 103 1.B 484 ? 1 -ATOM C CA LEU 1.B 1 103 . -7.677 46.450 1.799 1.00 184.16 103 1.B 485 ? 1 -ATOM C C LEU 1.B 1 103 . -6.251 46.982 1.761 1.00 192.07 103 1.B 486 ? 1 -ATOM O O LEU 1.B 1 103 . -5.340 46.384 2.333 1.00 192.68 103 1.B 487 ? 1 -ATOM C CB LEU 1.B 1 103 . -7.956 45.824 3.164 1.00 176.82 103 1.B 488 ? 1 -ATOM C CG LEU 1.B 1 103 . -9.373 46.001 3.704 1.00 170.26 103 1.B 489 ? 1 -ATOM C CD1 LEU 1.B 1 103 . -9.534 45.251 5.013 1.00 168.41 103 1.B 490 ? 1 -ATOM C CD2 LEU 1.B 1 103 . -9.686 47.479 3.884 1.00 168.30 103 1.B 491 ? 1 -ATOM N N GLU 1.B 1 104 . -6.060 48.111 1.087 1.00 207.08 104 1.B 492 ? 1 -ATOM C CA GLU 1.B 1 104 . -4.741 48.723 0.995 1.00 216.43 104 1.B 493 ? 1 -ATOM C C GLU 1.B 1 104 . -4.414 49.512 2.258 1.00 217.34 104 1.B 494 ? 1 -ATOM O O GLU 1.B 1 104 . -3.961 50.655 2.187 1.00 222.78 104 1.B 495 ? 1 -ATOM C CB GLU 1.B 1 104 . -4.647 49.627 -0.237 1.00 222.26 104 1.B 496 ? 1 -ATOM C CG GLU 1.B 1 104 . -4.802 48.898 -1.566 1.00 224.22 104 1.B 497 ? 1 -ATOM C CD GLU 1.B 1 104 . -3.666 47.931 -1.848 1.00 227.38 104 1.B 498 ? 1 -ATOM O OE1 GLU 1.B 1 104 . -2.602 48.053 -1.203 1.00 230.67 104 1.B 499 ? 1 -ATOM O OE2 GLU 1.B 1 104 . -3.835 47.051 -2.719 1.00 226.13 104 1.B 500 ? 1 -ATOM N N ILE 1.B 1 105 . -4.648 48.898 3.413 1.00 204.12 105 1.B 501 ? 1 -ATOM C CA ILE 1.B 1 105 . -4.323 49.529 4.683 1.00 204.23 105 1.B 502 ? 1 -ATOM C C ILE 1.B 1 105 . -2.847 49.336 5.003 1.00 204.37 105 1.B 503 ? 1 -ATOM O O ILE 1.B 1 105 . -2.296 48.250 4.818 1.00 201.59 105 1.B 504 ? 1 -ATOM C CB ILE 1.B 1 105 . -5.173 48.969 5.837 1.00 204.60 105 1.B 505 ? 1 -ATOM C CG1 ILE 1.B 1 105 . -4.842 47.497 6.083 1.00 206.81 105 1.B 506 ? 1 -ATOM C CG2 ILE 1.B 1 105 . -6.654 49.146 5.542 1.00 202.34 105 1.B 507 ? 1 -ATOM C CD1 ILE 1.B 1 105 . -5.517 46.918 7.305 1.00 204.18 105 1.B 508 ? 1 -ATOM N N LYS 1.B 1 106 . -2.209 50.400 5.476 1.00 214.49 106 1.B 509 ? 1 -ATOM C CA LYS 1.B 1 106 . -0.793 50.355 5.813 1.00 219.39 106 1.B 510 ? 1 -ATOM C C LYS 1.B 1 106 . -0.530 49.331 6.913 1.00 217.83 106 1.B 511 ? 1 -ATOM O O LYS 1.B 1 106 . -1.433 48.990 7.677 1.00 212.90 106 1.B 512 ? 1 -ATOM C CB LYS 1.B 1 106 . -0.297 51.744 6.228 1.00 221.02 106 1.B 513 ? 1 -ATOM C CG LYS 1.B 1 106 . -1.075 52.371 7.372 1.00 215.06 106 1.B 514 ? 1 -ATOM C CD LYS 1.B 1 106 . -0.989 53.889 7.327 1.00 213.66 106 1.B 515 ? 1 -ATOM C CE LYS 1.B 1 106 . -1.647 54.439 6.069 1.00 209.24 106 1.B 516 ? 1 -ATOM N NZ LYS 1.B 1 106 . -1.642 55.928 6.028 1.00 208.60 106 1.B 517 ? 1 -ATOM N N PRO 1.B 1 107 . 0.712 48.828 6.984 1.00 218.99 107 1.B 518 ? 1 -ATOM C CA PRO 1.B 1 107 . 1.112 47.820 7.971 1.00 215.98 107 1.B 519 ? 1 -ATOM C C PRO 1.B 1 107 . 0.731 48.208 9.398 1.00 210.74 107 1.B 520 ? 1 -ATOM O O PRO 1.B 1 107 . 0.470 47.332 10.224 1.00 207.36 107 1.B 521 ? 1 -ATOM C CB PRO 1.B 1 107 . 2.634 47.779 7.821 1.00 221.19 107 1.B 522 ? 1 -ATOM C CG PRO 1.B 1 107 . 2.872 48.162 6.402 1.00 224.35 107 1.B 523 ? 1 -ATOM C CD PRO 1.B 1 107 . 1.817 49.180 6.075 1.00 223.58 107 1.B 524 ? 1 -ATOM N N ALA 1.B 1 108 . 0.697 49.507 9.677 1.00 209.10 108 1.B 525 ? 1 -ATOM C CA ALA 1.B 1 108 . 0.382 50.000 11.014 1.00 203.69 108 1.B 526 ? 1 -ATOM C C ALA 1.B 1 108 . -1.017 49.592 11.466 1.00 196.45 108 1.B 527 ? 1 -ATOM O O ALA 1.B 1 108 . -1.250 49.346 12.650 1.00 194.54 108 1.B 528 ? 1 -ATOM C CB ALA 1.B 1 108 . 0.531 51.512 11.065 1.00 204.75 108 1.B 529 ? 1 -ATOM N N ILE 1.B 1 109 . -1.944 49.521 10.516 1.00 188.04 109 1.B 530 ? 1 -ATOM C CA ILE 1.B 1 109 . -3.343 49.243 10.820 1.00 179.93 109 1.B 531 ? 1 -ATOM C C ILE 1.B 1 109 . -3.601 47.753 11.021 1.00 179.00 109 1.B 532 ? 1 -ATOM O O ILE 1.B 1 109 . -4.178 47.341 12.030 1.00 173.68 109 1.B 533 ? 1 -ATOM C CB ILE 1.B 1 109 . -4.260 49.755 9.695 1.00 172.79 109 1.B 534 ? 1 -ATOM C CG1 ILE 1.B 1 109 . -3.892 51.193 9.325 1.00 169.80 109 1.B 535 ? 1 -ATOM C CG2 ILE 1.B 1 109 . -5.720 49.652 10.108 1.00 170.07 109 1.B 536 ? 1 -ATOM C CD1 ILE 1.B 1 109 . -4.630 51.720 8.116 1.00 166.74 109 1.B 537 ? 1 -ATOM N N ARG 1.B 1 110 . -3.169 46.954 10.050 1.00 184.29 110 1.B 538 ? 1 -ATOM C CA ARG 1.B 1 110 . -3.415 45.515 10.051 1.00 184.02 110 1.B 539 ? 1 -ATOM C C ARG 1.B 1 110 . -3.108 44.856 11.395 1.00 182.11 110 1.B 540 ? 1 -ATOM O O ARG 1.B 1 110 . -3.850 43.984 11.849 1.00 173.03 110 1.B 541 ? 1 -ATOM C CB ARG 1.B 1 110 . -2.615 44.839 8.932 1.00 189.03 110 1.B 542 ? 1 -ATOM C CG ARG 1.B 1 110 . -1.107 44.900 9.120 1.00 194.52 110 1.B 543 ? 1 -ATOM C CD ARG 1.B 1 110 . -0.361 44.438 7.877 1.00 197.50 110 1.B 544 ? 1 -ATOM N NE ARG 1.B 1 110 . -0.453 45.410 6.791 1.00 199.26 110 1.B 545 ? 1 -ATOM C CZ ARG 1.B 1 110 . 0.320 45.398 5.709 1.00 203.10 110 1.B 546 ? 1 -ATOM N NH1 ARG 1.B 1 110 . 1.250 44.463 5.565 1.00 205.84 110 1.B 547 ? 1 -ATOM N NH2 ARG 1.B 1 110 . 0.165 46.324 4.772 1.00 204.26 110 1.B 548 ? 1 -ATOM N N ASN 1.B 1 111 . -2.017 45.278 12.028 1.00 197.93 111 1.B 549 ? 1 -ATOM C CA ASN 1.B 1 111 . -1.588 44.687 13.292 1.00 201.25 111 1.B 550 ? 1 -ATOM C C ASN 1.B 1 111 . -2.647 44.777 14.386 1.00 199.02 111 1.B 551 ? 1 -ATOM O O ASN 1.B 1 111 . -2.786 43.865 15.201 1.00 197.84 111 1.B 552 ? 1 -ATOM C CB ASN 1.B 1 111 . -0.277 45.315 13.772 1.00 206.16 111 1.B 553 ? 1 -ATOM C CG ASN 1.B 1 111 . 0.920 44.852 12.967 1.00 208.52 111 1.B 554 ? 1 -ATOM O OD1 ASN 1.B 1 111 . 0.776 44.159 11.960 1.00 208.93 111 1.B 555 ? 1 -ATOM N ND2 ASN 1.B 1 111 . 2.114 45.232 13.409 1.00 209.49 111 1.B 556 ? 1 -ATOM N N GLN 1.B 1 112 . -3.390 45.878 14.406 1.00 190.97 112 1.B 557 ? 1 -ATOM C CA GLN 1.B 1 112 . -4.457 46.037 15.384 1.00 187.77 112 1.B 558 ? 1 -ATOM C C GLN 1.B 1 112 . -5.683 45.230 14.978 1.00 184.96 112 1.B 559 ? 1 -ATOM O O GLN 1.B 1 112 . -6.337 44.614 15.819 1.00 180.70 112 1.B 560 ? 1 -ATOM C CB GLN 1.B 1 112 . -4.839 47.504 15.550 1.00 186.76 112 1.B 561 ? 1 -ATOM C CG GLN 1.B 1 112 . -5.926 47.720 16.588 1.00 184.57 112 1.B 562 ? 1 -ATOM C CD GLN 1.B 1 112 . -6.586 49.074 16.466 1.00 187.10 112 1.B 563 ? 1 -ATOM O OE1 GLN 1.B 1 112 . -6.221 49.881 15.612 1.00 192.28 112 1.B 564 ? 1 -ATOM N NE2 GLN 1.B 1 112 . -7.570 49.331 17.321 1.00 184.11 112 1.B 565 ? 1 -ATOM N N ILE 1.B 1 113 . -5.991 45.243 13.685 1.00 191.89 113 1.B 566 ? 1 -ATOM C CA ILE 1.B 1 113 . -7.131 44.498 13.165 1.00 191.34 113 1.B 567 ? 1 -ATOM C C ILE 1.B 1 113 . -7.007 43.017 13.495 1.00 192.19 113 1.B 568 ? 1 -ATOM O O ILE 1.B 1 113 . -7.966 42.389 13.944 1.00 190.72 113 1.B 569 ? 1 -ATOM C CB ILE 1.B 1 113 . -7.269 44.659 11.641 1.00 192.04 113 1.B 570 ? 1 -ATOM C CG1 ILE 1.B 1 113 . -7.559 46.117 11.285 1.00 192.07 113 1.B 571 ? 1 -ATOM C CG2 ILE 1.B 1 113 . -8.365 43.750 11.108 1.00 188.00 113 1.B 572 ? 1 -ATOM C CD1 ILE 1.B 1 113 . -7.839 46.343 9.818 1.00 191.58 113 1.B 573 ? 1 -ATOM N N ILE 1.B 1 114 . -5.820 42.465 13.270 1.00 190.62 114 1.B 574 ? 1 -ATOM C CA ILE 1.B 1 114 . -5.559 41.069 13.586 1.00 190.81 114 1.B 575 ? 1 -ATOM C C ILE 1.B 1 114 . -5.698 40.835 15.083 1.00 192.25 114 1.B 576 ? 1 -ATOM O O ILE 1.B 1 114 . -6.198 39.797 15.515 1.00 190.69 114 1.B 577 ? 1 -ATOM C CB ILE 1.B 1 114 . -4.150 40.644 13.146 1.00 192.95 114 1.B 578 ? 1 -ATOM C CG1 ILE 1.B 1 114 . -3.986 40.831 11.637 1.00 194.11 114 1.B 579 ? 1 -ATOM C CG2 ILE 1.B 1 114 . -3.888 39.198 13.535 1.00 193.12 114 1.B 580 ? 1 -ATOM C CD1 ILE 1.B 1 114 . -4.927 39.981 10.816 1.00 191.81 114 1.B 581 ? 1 -ATOM N N ARG 1.B 1 115 . -5.254 41.809 15.870 1.00 199.15 115 1.B 582 ? 1 -ATOM C CA ARG 1.B 1 115 . -5.333 41.715 17.322 1.00 198.18 115 1.B 583 ? 1 -ATOM C C ARG 1.B 1 115 . -6.777 41.499 17.769 1.00 190.43 115 1.B 584 ? 1 -ATOM O O ARG 1.B 1 115 . -7.074 40.551 18.496 1.00 187.97 115 1.B 585 ? 1 -ATOM C CB ARG 1.B 1 115 . -4.744 42.969 17.975 1.00 201.90 115 1.B 586 ? 1 -ATOM C CG ARG 1.B 1 115 . -4.368 42.794 19.440 1.00 202.65 115 1.B 587 ? 1 -ATOM C CD ARG 1.B 1 115 . -3.524 43.959 19.935 1.00 206.33 115 1.B 588 ? 1 -ATOM N NE ARG 1.B 1 115 . -2.433 44.268 19.015 1.00 211.40 115 1.B 589 ? 1 -ATOM C CZ ARG 1.B 1 115 . -1.403 45.057 19.308 1.00 216.01 115 1.B 590 ? 1 -ATOM N NH1 ARG 1.B 1 115 . -1.314 45.619 20.506 1.00 219.03 115 1.B 591 ? 1 -ATOM N NH2 ARG 1.B 1 115 . -0.458 45.280 18.405 1.00 216.99 115 1.B 592 ? 1 -ATOM N N GLU 1.B 1 116 . -7.672 42.377 17.324 1.00 169.95 116 1.B 593 ? 1 -ATOM C CA GLU 1.B 1 116 . -9.089 42.258 17.649 1.00 163.95 116 1.B 594 ? 1 -ATOM C C GLU 1.B 1 116 . -9.657 40.998 17.020 1.00 163.41 116 1.B 595 ? 1 -ATOM O O GLU 1.B 1 116 . -10.515 40.331 17.594 1.00 165.85 116 1.B 596 ? 1 -ATOM C CB GLU 1.B 1 116 . -9.860 43.472 17.135 1.00 158.82 116 1.B 597 ? 1 -ATOM C CG GLU 1.B 1 116 . -9.274 44.803 17.561 1.00 164.12 116 1.B 598 ? 1 -ATOM C CD GLU 1.B 1 116 . -10.010 45.979 16.954 1.00 161.95 116 1.B 599 ? 1 -ATOM O OE1 GLU 1.B 1 116 . -11.070 45.758 16.331 1.00 157.92 116 1.B 600 ? 1 -ATOM O OE2 GLU 1.B 1 116 . -9.527 47.121 17.102 1.00 163.93 116 1.B 601 ? 1 -ATOM N N LEU 1.B 1 117 . -9.165 40.684 15.830 1.00 161.29 117 1.B 602 ? 1 -ATOM C CA LEU 1.B 1 117 . -9.637 39.535 15.078 1.00 162.89 117 1.B 603 ? 1 -ATOM C C LEU 1.B 1 117 . -9.290 38.237 15.802 1.00 168.16 117 1.B 604 ? 1 -ATOM O O LEU 1.B 1 117 . -9.980 37.228 15.653 1.00 162.33 117 1.B 605 ? 1 -ATOM C CB LEU 1.B 1 117 . -9.020 39.549 13.682 1.00 163.99 117 1.B 606 ? 1 -ATOM C CG LEU 1.B 1 117 . -9.883 39.009 12.545 1.00 160.88 117 1.B 607 ? 1 -ATOM C CD1 LEU 1.B 1 117 . -11.317 39.485 12.702 1.00 155.65 117 1.B 608 ? 1 -ATOM C CD2 LEU 1.B 1 117 . -9.308 39.445 11.209 1.00 161.20 117 1.B 609 ? 1 -ATOM N N GLN 1.B 1 118 . -8.219 38.274 16.589 1.00 192.00 118 1.B 610 ? 1 -ATOM C CA GLN 1.B 1 118 . -7.768 37.103 17.335 1.00 199.76 118 1.B 611 ? 1 -ATOM C C GLN 1.B 1 118 . -8.849 36.598 18.285 1.00 193.37 118 1.B 612 ? 1 -ATOM O O GLN 1.B 1 118 . -8.934 35.402 18.564 1.00 194.11 118 1.B 613 ? 1 -ATOM C CB GLN 1.B 1 118 . -6.492 37.424 18.118 1.00 212.98 118 1.B 614 ? 1 -ATOM C CG GLN 1.B 1 118 . -5.251 37.605 17.255 1.00 221.34 118 1.B 615 ? 1 -ATOM C CD GLN 1.B 1 118 . -4.675 36.289 16.765 1.00 228.52 118 1.B 616 ? 1 -ATOM O OE1 GLN 1.B 1 118 . -4.253 36.173 15.615 1.00 229.50 118 1.B 617 ? 1 -ATOM N NE2 GLN 1.B 1 118 . -4.655 35.289 17.639 1.00 233.53 118 1.B 618 ? 1 -ATOM N N VAL 1.B 1 119 . -9.672 37.516 18.778 1.00 171.74 119 1.B 619 ? 1 -ATOM C CA VAL 1.B 1 119 . -10.748 37.169 19.696 1.00 164.32 119 1.B 620 ? 1 -ATOM C C VAL 1.B 1 119 . -11.533 35.961 19.190 1.00 156.64 119 1.B 621 ? 1 -ATOM O O VAL 1.B 1 119 . -12.026 35.152 19.975 1.00 157.28 119 1.B 622 ? 1 -ATOM C CB VAL 1.B 1 119 . -11.702 38.361 19.911 1.00 160.23 119 1.B 623 ? 1 -ATOM C CG1 VAL 1.B 1 119 . -12.900 37.947 20.750 1.00 159.99 119 1.B 624 ? 1 -ATOM C CG2 VAL 1.B 1 119 . -10.959 39.520 20.565 1.00 163.01 119 1.B 625 ? 1 -ATOM N N LEU 1.B 1 120 . -11.627 35.839 17.870 1.00 152.87 120 1.B 626 ? 1 -ATOM C CA LEU 1.B 1 120 . -12.374 34.754 17.243 1.00 150.54 120 1.B 627 ? 1 -ATOM C C LEU 1.B 1 120 . -12.013 33.385 17.802 1.00 152.40 120 1.B 628 ? 1 -ATOM O O LEU 1.B 1 120 . -12.813 32.452 17.743 1.00 149.26 120 1.B 629 ? 1 -ATOM C CB LEU 1.B 1 120 . -12.144 34.764 15.734 1.00 151.83 120 1.B 630 ? 1 -ATOM C CG LEU 1.B 1 120 . -12.749 35.936 14.968 1.00 152.65 120 1.B 631 ? 1 -ATOM C CD1 LEU 1.B 1 120 . -12.159 36.016 13.569 1.00 152.35 120 1.B 632 ? 1 -ATOM C CD2 LEU 1.B 1 120 . -14.262 35.801 14.920 1.00 150.52 120 1.B 633 ? 1 -ATOM N N HIS 1.B 1 121 . -10.803 33.265 18.336 1.00 162.76 121 1.B 634 ? 1 -ATOM C CA HIS 1.B 1 121 . -10.321 31.987 18.843 1.00 170.68 121 1.B 635 ? 1 -ATOM C C HIS 1.B 1 121 . -11.244 31.401 19.903 1.00 171.24 121 1.B 636 ? 1 -ATOM O O HIS 1.B 1 121 . -11.713 30.272 19.772 1.00 169.89 121 1.B 637 ? 1 -ATOM C CB HIS 1.B 1 121 . -8.899 32.127 19.389 1.00 181.91 121 1.B 638 ? 1 -ATOM C CG HIS 1.B 1 121 . -7.844 32.143 18.325 1.00 188.96 121 1.B 639 ? 1 -ATOM N ND1 HIS 1.B 1 121 . -7.390 33.305 17.745 1.00 190.27 121 1.B 640 ? 1 -ATOM C CD2 HIS 1.B 1 121 . -7.161 31.135 17.735 1.00 193.70 121 1.B 641 ? 1 -ATOM C CE1 HIS 1.B 1 121 . -6.468 33.017 16.844 1.00 192.77 121 1.B 642 ? 1 -ATOM N NE2 HIS 1.B 1 121 . -6.310 31.702 16.819 1.00 195.41 121 1.B 643 ? 1 -ATOM N N GLU 1.B 1 122 . -11.513 32.177 20.947 1.00 178.79 122 1.B 644 ? 1 -ATOM C CA GLU 1.B 1 122 . -12.336 31.701 22.053 1.00 183.10 122 1.B 645 ? 1 -ATOM C C GLU 1.B 1 122 . -13.810 31.571 21.675 1.00 176.91 122 1.B 646 ? 1 -ATOM O O GLU 1.B 1 122 . -14.625 31.111 22.475 1.00 179.02 122 1.B 647 ? 1 -ATOM C CB GLU 1.B 1 122 . -12.180 32.619 23.266 1.00 189.02 122 1.B 648 ? 1 -ATOM C CG GLU 1.B 1 122 . -10.782 32.624 23.853 1.00 197.84 122 1.B 649 ? 1 -ATOM C CD GLU 1.B 1 122 . -10.702 33.404 25.147 1.00 205.21 122 1.B 650 ? 1 -ATOM O OE1 GLU 1.B 1 122 . -11.574 34.267 25.375 1.00 201.35 122 1.B 651 ? 1 -ATOM O OE2 GLU 1.B 1 122 . -9.767 33.153 25.937 1.00 215.16 122 1.B 652 ? 1 -ATOM N N CYS 1.B 1 123 . -14.146 31.974 20.453 1.00 159.66 123 1.B 653 ? 1 -ATOM C CA CYS 1.B 1 123 . -15.529 31.940 19.991 1.00 151.41 123 1.B 654 ? 1 -ATOM C C CYS 1.B 1 123 . -15.862 30.615 19.318 1.00 149.87 123 1.B 655 ? 1 -ATOM O O CYS 1.B 1 123 . -16.093 30.558 18.111 1.00 145.97 123 1.B 656 ? 1 -ATOM C CB CYS 1.B 1 123 . -15.797 33.098 19.031 1.00 147.05 123 1.B 657 ? 1 -ATOM S SG CYS 1.B 1 123 . -15.412 34.722 19.715 1.00 227.86 123 1.B 658 ? 1 -ATOM N N ASN 1.B 1 124 . -15.887 29.548 20.108 1.00 163.94 124 1.B 659 ? 1 -ATOM C CA ASN 1.B 1 124 . -16.157 28.218 19.581 1.00 165.34 124 1.B 660 ? 1 -ATOM C C ASN 1.B 1 124 . -17.445 27.632 20.139 1.00 162.60 124 1.B 661 ? 1 -ATOM O O ASN 1.B 1 124 . -17.625 27.534 21.352 1.00 166.20 124 1.B 662 ? 1 -ATOM C CB ASN 1.B 1 124 . -14.978 27.286 19.856 1.00 172.00 124 1.B 663 ? 1 -ATOM C CG ASN 1.B 1 124 . -13.704 27.747 19.176 1.00 175.75 124 1.B 664 ? 1 -ATOM O OD1 ASN 1.B 1 124 . -13.698 28.744 18.453 1.00 173.94 124 1.B 665 ? 1 -ATOM N ND2 ASN 1.B 1 124 . -12.615 27.023 19.404 1.00 180.77 124 1.B 666 ? 1 -ATOM N N SER 1.B 1 125 . -18.338 27.242 19.239 1.00 147.09 125 1.B 667 ? 1 -ATOM C CA SER 1.B 1 125 . -19.650 26.750 19.622 1.00 143.51 125 1.B 668 ? 1 -ATOM C C SER 1.B 1 125 . -20.216 25.895 18.494 1.00 144.41 125 1.B 669 ? 1 -ATOM O O SER 1.B 1 125 . -19.827 26.054 17.338 1.00 145.97 125 1.B 670 ? 1 -ATOM C CB SER 1.B 1 125 . -20.580 27.931 19.919 1.00 135.56 125 1.B 671 ? 1 -ATOM O OG SER 1.B 1 125 . -21.876 27.505 20.300 1.00 130.43 125 1.B 672 ? 1 -ATOM N N PRO 1.B 1 126 . -21.129 24.972 18.828 1.00 148.60 126 1.B 673 ? 1 -ATOM C CA PRO 1.B 1 126 . -21.777 24.140 17.810 1.00 147.92 126 1.B 674 ? 1 -ATOM C C PRO 1.B 1 126 . -22.595 24.989 16.846 1.00 146.35 126 1.B 675 ? 1 -ATOM O O PRO 1.B 1 126 . -22.913 24.542 15.746 1.00 145.68 126 1.B 676 ? 1 -ATOM C CB PRO 1.B 1 126 . -22.719 23.252 18.630 1.00 149.69 126 1.B 677 ? 1 -ATOM C CG PRO 1.B 1 126 . -22.172 23.270 20.011 1.00 153.32 126 1.B 678 ? 1 -ATOM C CD PRO 1.B 1 126 . -21.564 24.622 20.190 1.00 152.24 126 1.B 679 ? 1 -ATOM N N TYR 1.B 1 127 . -22.930 26.205 17.266 1.00 151.84 127 1.B 680 ? 1 -ATOM C CA TYR 1.B 1 127 . -23.781 27.084 16.475 1.00 151.03 127 1.B 681 ? 1 -ATOM C C TYR 1.B 1 127 . -22.988 28.252 15.909 1.00 149.76 127 1.B 682 ? 1 -ATOM O O TYR 1.B 1 127 . -23.551 29.285 15.546 1.00 148.20 127 1.B 683 ? 1 -ATOM C CB TYR 1.B 1 127 . -24.938 27.592 17.331 1.00 153.66 127 1.B 684 ? 1 -ATOM C CG TYR 1.B 1 127 . -25.499 26.533 18.248 1.00 160.10 127 1.B 685 ? 1 -ATOM C CD1 TYR 1.B 1 127 . -24.979 26.346 19.522 1.00 166.29 127 1.B 686 ? 1 -ATOM C CD2 TYR 1.B 1 127 . -26.540 25.711 17.838 1.00 162.59 127 1.B 687 ? 1 -ATOM C CE1 TYR 1.B 1 127 . -25.484 25.376 20.365 1.00 172.73 127 1.B 688 ? 1 -ATOM C CE2 TYR 1.B 1 127 . -27.054 24.737 18.675 1.00 168.23 127 1.B 689 ? 1 -ATOM C CZ TYR 1.B 1 127 . -26.522 24.575 19.937 1.00 174.37 127 1.B 690 ? 1 -ATOM O OH TYR 1.B 1 127 . -27.029 23.608 20.775 1.00 179.48 127 1.B 691 ? 1 -ATOM N N ILE 1.B 1 128 . -21.674 28.078 15.838 1.00 142.63 128 1.B 692 ? 1 -ATOM C CA ILE 1.B 1 128 . -20.798 29.094 15.279 1.00 144.46 128 1.B 693 ? 1 -ATOM C C ILE 1.B 1 128 . -19.718 28.471 14.415 1.00 146.97 128 1.B 694 ? 1 -ATOM O O ILE 1.B 1 128 . -19.066 27.508 14.816 1.00 150.18 128 1.B 695 ? 1 -ATOM C CB ILE 1.B 1 128 . -20.114 29.912 16.376 1.00 151.77 128 1.B 696 ? 1 -ATOM C CG1 ILE 1.B 1 128 . -21.120 30.841 17.051 1.00 154.93 128 1.B 697 ? 1 -ATOM C CG2 ILE 1.B 1 128 . -18.959 30.719 15.797 1.00 153.45 128 1.B 698 ? 1 -ATOM C CD1 ILE 1.B 1 128 . -20.481 31.793 18.022 1.00 160.66 128 1.B 699 ? 1 -ATOM N N VAL 1.B 1 129 . -19.527 29.031 13.229 1.00 152.81 129 1.B 700 ? 1 -ATOM C CA VAL 1.B 1 129 . -18.490 28.558 12.329 1.00 156.92 129 1.B 701 ? 1 -ATOM C C VAL 1.B 1 129 . -17.110 28.855 12.903 1.00 159.19 129 1.B 702 ? 1 -ATOM O O VAL 1.B 1 129 . -16.592 29.963 12.754 1.00 157.54 129 1.B 703 ? 1 -ATOM C CB VAL 1.B 1 129 . -18.618 29.208 10.945 1.00 156.49 129 1.B 704 ? 1 -ATOM C CG1 VAL 1.B 1 129 . -17.543 28.676 10.012 1.00 160.06 129 1.B 705 ? 1 -ATOM C CG2 VAL 1.B 1 129 . -20.003 28.954 10.375 1.00 152.60 129 1.B 706 ? 1 -ATOM N N GLY 1.B 1 130 . -16.526 27.861 13.566 1.00 162.90 130 1.B 707 ? 1 -ATOM C CA GLY 1.B 1 130 . -15.206 28.003 14.152 1.00 168.99 130 1.B 708 ? 1 -ATOM C C GLY 1.B 1 130 . -14.172 28.439 13.132 1.00 171.05 130 1.B 709 ? 1 -ATOM O O GLY 1.B 1 130 . -14.188 27.987 11.988 1.00 171.93 130 1.B 710 ? 1 -ATOM N N PHE 1.B 1 131 . -13.269 29.321 13.546 1.00 167.63 131 1.B 711 ? 1 -ATOM C CA PHE 1.B 1 131 . -12.261 29.852 12.639 1.00 166.70 131 1.B 712 ? 1 -ATOM C C PHE 1.B 1 131 . -10.873 29.367 13.040 1.00 172.41 131 1.B 713 ? 1 -ATOM O O PHE 1.B 1 131 . -10.712 28.723 14.076 1.00 177.08 131 1.B 714 ? 1 -ATOM C CB PHE 1.B 1 131 . -12.313 31.381 12.628 1.00 165.82 131 1.B 715 ? 1 -ATOM C CG PHE 1.B 1 131 . -11.247 32.034 13.460 1.00 172.41 131 1.B 716 ? 1 -ATOM C CD1 PHE 1.B 1 131 . -11.116 31.740 14.806 1.00 177.55 131 1.B 717 ? 1 -ATOM C CD2 PHE 1.B 1 131 . -10.370 32.942 12.889 1.00 175.34 131 1.B 718 ? 1 -ATOM C CE1 PHE 1.B 1 131 . -10.128 32.338 15.564 1.00 184.27 131 1.B 719 ? 1 -ATOM C CE2 PHE 1.B 1 131 . -9.386 33.548 13.643 1.00 181.03 131 1.B 720 ? 1 -ATOM C CZ PHE 1.B 1 131 . -9.265 33.246 14.982 1.00 185.85 131 1.B 721 ? 1 -ATOM N N TYR 1.B 1 132 . -9.875 29.680 12.220 1.00 173.28 132 1.B 722 ? 1 -ATOM C CA TYR 1.B 1 132 . -8.501 29.274 12.497 1.00 177.05 132 1.B 723 ? 1 -ATOM C C TYR 1.B 1 132 . -7.612 30.465 12.835 1.00 180.27 132 1.B 724 ? 1 -ATOM O O TYR 1.B 1 132 . -7.114 30.577 13.954 1.00 184.56 132 1.B 725 ? 1 -ATOM C CB TYR 1.B 1 132 . -7.921 28.499 11.315 1.00 178.51 132 1.B 726 ? 1 -ATOM C CG TYR 1.B 1 132 . -8.641 27.202 11.036 1.00 180.79 132 1.B 727 ? 1 -ATOM C CD1 TYR 1.B 1 132 . -8.417 26.080 11.822 1.00 184.40 132 1.B 728 ? 1 -ATOM C CD2 TYR 1.B 1 132 . -9.548 27.099 9.991 1.00 179.82 132 1.B 729 ? 1 -ATOM C CE1 TYR 1.B 1 132 . -9.076 24.891 11.575 1.00 184.87 132 1.B 730 ? 1 -ATOM C CE2 TYR 1.B 1 132 . -10.211 25.914 9.734 1.00 180.15 132 1.B 731 ? 1 -ATOM C CZ TYR 1.B 1 132 . -9.971 24.813 10.530 1.00 182.27 132 1.B 732 ? 1 -ATOM O OH TYR 1.B 1 132 . -10.628 23.630 10.280 1.00 181.72 132 1.B 733 ? 1 -ATOM N N GLY 1.B 1 133 . -7.415 31.354 11.865 1.00 179.30 133 1.B 734 ? 1 -ATOM C CA GLY 1.B 1 133 . -6.574 32.520 12.067 1.00 181.64 133 1.B 735 ? 1 -ATOM C C GLY 1.B 1 133 . -6.828 33.633 11.068 1.00 178.33 133 1.B 736 ? 1 -ATOM O O GLY 1.B 1 133 . -7.774 33.573 10.283 1.00 171.96 133 1.B 737 ? 1 -ATOM N N ALA 1.B 1 134 . -5.975 34.652 11.101 1.00 184.67 134 1.B 738 ? 1 -ATOM C CA ALA 1.B 1 134 . -6.092 35.793 10.198 1.00 184.56 134 1.B 739 ? 1 -ATOM C C ALA 1.B 1 134 . -4.715 36.331 9.814 1.00 190.42 134 1.B 740 ? 1 -ATOM O O ALA 1.B 1 134 . -3.803 36.365 10.639 1.00 195.77 134 1.B 741 ? 1 -ATOM C CB ALA 1.B 1 134 . -6.929 36.886 10.837 1.00 182.11 134 1.B 742 ? 1 -ATOM N N PHE 1.B 1 135 . -4.570 36.755 8.561 1.00 184.88 135 1.B 743 ? 1 -ATOM C CA PHE 1.B 1 135 . -3.286 37.239 8.065 1.00 190.19 135 1.B 744 ? 1 -ATOM C C PHE 1.B 1 135 . -3.443 38.178 6.873 1.00 190.24 135 1.B 745 ? 1 -ATOM O O PHE 1.B 1 135 . -4.509 38.258 6.266 1.00 183.06 135 1.B 746 ? 1 -ATOM C CB PHE 1.B 1 135 . -2.392 36.061 7.678 1.00 193.19 135 1.B 747 ? 1 -ATOM C CG PHE 1.B 1 135 . -2.978 35.186 6.608 1.00 190.00 135 1.B 748 ? 1 -ATOM C CD1 PHE 1.B 1 135 . -2.761 35.466 5.271 1.00 190.18 135 1.B 749 ? 1 -ATOM C CD2 PHE 1.B 1 135 . -3.752 34.089 6.940 1.00 187.30 135 1.B 750 ? 1 -ATOM C CE1 PHE 1.B 1 135 . -3.301 34.665 4.286 1.00 188.43 135 1.B 751 ? 1 -ATOM C CE2 PHE 1.B 1 135 . -4.294 33.285 5.959 1.00 184.95 135 1.B 752 ? 1 -ATOM C CZ PHE 1.B 1 135 . -4.069 33.573 4.631 1.00 185.47 135 1.B 753 ? 1 -ATOM N N TYR 1.B 1 136 . -2.364 38.878 6.539 1.00 206.34 136 1.B 754 ? 1 -ATOM C CA TYR 1.B 1 136 . -2.365 39.824 5.431 1.00 210.73 136 1.B 755 ? 1 -ATOM C C TYR 1.B 1 136 . -1.982 39.119 4.131 1.00 216.65 136 1.B 756 ? 1 -ATOM O O TYR 1.B 1 136 . -1.756 37.910 4.120 1.00 219.27 136 1.B 757 ? 1 -ATOM C CB TYR 1.B 1 136 . -1.388 40.961 5.722 1.00 214.87 136 1.B 758 ? 1 -ATOM C CG TYR 1.B 1 136 . -1.718 42.254 5.019 1.00 215.43 136 1.B 759 ? 1 -ATOM C CD1 TYR 1.B 1 136 . -2.766 43.053 5.454 1.00 213.86 136 1.B 760 ? 1 -ATOM C CD2 TYR 1.B 1 136 . -0.981 42.678 3.923 1.00 220.31 136 1.B 761 ? 1 -ATOM C CE1 TYR 1.B 1 136 . -3.072 44.239 4.816 1.00 216.03 136 1.B 762 ? 1 -ATOM C CE2 TYR 1.B 1 136 . -1.278 43.863 3.279 1.00 222.26 136 1.B 763 ? 1 -ATOM C CZ TYR 1.B 1 136 . -2.325 44.639 3.728 1.00 220.28 136 1.B 764 ? 1 -ATOM O OH TYR 1.B 1 136 . -2.626 45.821 3.089 1.00 220.57 136 1.B 765 ? 1 -ATOM N N SER 1.B 1 137 . -1.913 39.873 3.038 1.00 212.88 137 1.B 766 ? 1 -ATOM C CA SER 1.B 1 137 . -1.520 39.310 1.748 1.00 215.58 137 1.B 767 ? 1 -ATOM C C SER 1.B 1 137 . -1.121 40.389 0.749 1.00 219.22 137 1.B 768 ? 1 -ATOM O O SER 1.B 1 137 . -1.767 40.558 -0.286 1.00 214.75 137 1.B 769 ? 1 -ATOM C CB SER 1.B 1 137 . -2.644 38.449 1.165 1.00 211.04 137 1.B 770 ? 1 -ATOM O OG SER 1.B 1 137 . -2.285 37.943 -0.110 1.00 210.53 137 1.B 771 ? 1 -ATOM N N ASP 1.B 1 138 . -0.052 41.114 1.068 1.00 236.00 138 1.B 772 ? 1 -ATOM C CA ASP 1.B 1 138 . 0.468 42.172 0.203 1.00 242.19 138 1.B 773 ? 1 -ATOM C C ASP 1.B 1 138 . -0.482 43.363 0.103 1.00 237.72 138 1.B 774 ? 1 -ATOM O O ASP 1.B 1 138 . -0.059 44.483 -0.192 1.00 237.46 138 1.B 775 ? 1 -ATOM C CB ASP 1.B 1 138 . 0.790 41.629 -1.193 1.00 246.36 138 1.B 776 ? 1 -ATOM C CG ASP 1.B 1 138 . 1.959 40.662 -1.188 1.00 251.63 138 1.B 777 ? 1 -ATOM O OD1 ASP 1.B 1 138 . 2.276 40.114 -0.112 1.00 253.61 138 1.B 778 ? 1 -ATOM O OD2 ASP 1.B 1 138 . 2.564 40.454 -2.261 1.00 253.61 138 1.B 779 ? 1 -ATOM N N GLY 1.B 1 139 . -1.764 43.117 0.351 1.00 230.27 139 1.B 780 ? 1 -ATOM C CA GLY 1.B 1 139 . -2.761 44.167 0.297 1.00 225.14 139 1.B 781 ? 1 -ATOM C C GLY 1.B 1 139 . -4.168 43.671 0.560 1.00 218.81 139 1.B 782 ? 1 -ATOM O O GLY 1.B 1 139 . -5.124 44.178 -0.026 1.00 218.70 139 1.B 783 ? 1 -ATOM N N GLU 1.B 1 140 . -4.304 42.681 1.438 1.00 211.59 140 1.B 784 ? 1 -ATOM C CA GLU 1.B 1 140 . -5.626 42.176 1.797 1.00 207.01 140 1.B 785 ? 1 -ATOM C C GLU 1.B 1 140 . -5.614 41.272 3.029 1.00 207.01 140 1.B 786 ? 1 -ATOM O O GLU 1.B 1 140 . -4.668 40.515 3.249 1.00 210.63 140 1.B 787 ? 1 -ATOM C CB GLU 1.B 1 140 . -6.264 41.441 0.617 1.00 203.94 140 1.B 788 ? 1 -ATOM C CG GLU 1.B 1 140 . -5.617 40.111 0.287 1.00 204.92 140 1.B 789 ? 1 -ATOM C CD GLU 1.B 1 140 . -6.380 39.348 -0.776 1.00 203.07 140 1.B 790 ? 1 -ATOM O OE1 GLU 1.B 1 140 . -7.281 39.943 -1.404 1.00 199.03 140 1.B 791 ? 1 -ATOM O OE2 GLU 1.B 1 140 . -6.079 38.155 -0.983 1.00 206.11 140 1.B 792 ? 1 -ATOM N N ILE 1.B 1 141 . -6.677 41.362 3.825 1.00 198.24 141 1.B 793 ? 1 -ATOM C CA ILE 1.B 1 141 . -6.835 40.525 5.009 1.00 190.88 141 1.B 794 ? 1 -ATOM C C ILE 1.B 1 141 . -7.513 39.212 4.643 1.00 183.06 141 1.B 795 ? 1 -ATOM O O ILE 1.B 1 141 . -8.495 39.198 3.902 1.00 175.18 141 1.B 796 ? 1 -ATOM C CB ILE 1.B 1 141 . -7.675 41.226 6.097 1.00 185.51 141 1.B 797 ? 1 -ATOM C CG1 ILE 1.B 1 141 . -7.019 42.542 6.521 1.00 188.50 141 1.B 798 ? 1 -ATOM C CG2 ILE 1.B 1 141 . -7.861 40.311 7.300 1.00 182.96 141 1.B 799 ? 1 -ATOM C CD1 ILE 1.B 1 141 . -7.754 43.258 7.634 1.00 186.94 141 1.B 800 ? 1 -ATOM N N SER 1.B 1 142 . -6.987 38.113 5.171 1.00 198.30 142 1.B 801 ? 1 -ATOM C CA SER 1.B 1 142 . -7.503 36.788 4.853 1.00 195.72 142 1.B 802 ? 1 -ATOM C C SER 1.B 1 142 . -7.973 36.049 6.104 1.00 191.42 142 1.B 803 ? 1 -ATOM O O SER 1.B 1 142 . -7.162 35.646 6.937 1.00 197.05 142 1.B 804 ? 1 -ATOM C CB SER 1.B 1 142 . -6.434 35.966 4.130 1.00 199.23 142 1.B 805 ? 1 -ATOM O OG SER 1.B 1 142 . -5.896 36.683 3.032 1.00 199.79 142 1.B 806 ? 1 -ATOM N N ILE 1.B 1 143 . -9.287 35.878 6.229 1.00 163.06 143 1.B 807 ? 1 -ATOM C CA ILE 1.B 1 143 . -9.865 35.128 7.341 1.00 155.37 143 1.B 808 ? 1 -ATOM C C ILE 1.B 1 143 . -10.039 33.654 6.992 1.00 156.85 143 1.B 809 ? 1 -ATOM O O ILE 1.B 1 143 . -10.648 33.313 5.978 1.00 154.26 143 1.B 810 ? 1 -ATOM C CB ILE 1.B 1 143 . -11.231 35.700 7.780 1.00 140.60 143 1.B 811 ? 1 -ATOM C CG1 ILE 1.B 1 143 . -11.036 36.904 8.702 1.00 132.53 143 1.B 812 ? 1 -ATOM C CG2 ILE 1.B 1 143 . -12.053 34.635 8.491 1.00 138.85 143 1.B 813 ? 1 -ATOM C CD1 ILE 1.B 1 143 . -12.287 37.304 9.450 1.00 123.32 143 1.B 814 ? 1 -ATOM N N CYS 1.B 1 144 . -9.506 32.785 7.844 1.00 173.65 144 1.B 815 ? 1 -ATOM C CA CYS 1.B 1 144 . -9.598 31.347 7.636 1.00 175.98 144 1.B 816 ? 1 -ATOM C C CYS 1.B 1 144 . -10.587 30.737 8.622 1.00 175.69 144 1.B 817 ? 1 -ATOM O O CYS 1.B 1 144 . -10.462 30.934 9.830 1.00 179.74 144 1.B 818 ? 1 -ATOM C CB CYS 1.B 1 144 . -8.224 30.705 7.823 1.00 180.79 144 1.B 819 ? 1 -ATOM S SG CYS 1.B 1 144 . -6.853 31.725 7.242 1.00 183.76 144 1.B 820 ? 1 -ATOM N N MET 1.B 1 145 . -11.569 30.000 8.112 1.00 157.71 145 1.B 821 ? 1 -ATOM C CA MET 1.B 1 145 . -12.545 29.358 8.988 1.00 155.97 145 1.B 822 ? 1 -ATOM C C MET 1.B 1 145 . -13.022 27.988 8.505 1.00 155.16 145 1.B 823 ? 1 -ATOM O O MET 1.B 1 145 . -12.647 27.515 7.430 1.00 149.58 145 1.B 824 ? 1 -ATOM C CB MET 1.B 1 145 . -13.744 30.282 9.259 1.00 151.39 145 1.B 825 ? 1 -ATOM C CG MET 1.B 1 145 . -14.384 30.894 8.018 1.00 147.24 145 1.B 826 ? 1 -ATOM S SD MET 1.B 1 145 . -15.956 31.726 8.352 1.00 239.43 145 1.B 827 ? 1 -ATOM C CE MET 1.B 1 145 . -15.494 32.902 9.626 1.00 146.84 145 1.B 828 ? 1 -ATOM N N GLU 1.B 1 146 . -13.849 27.362 9.335 1.00 172.32 146 1.B 829 ? 1 -ATOM C CA GLU 1.B 1 146 . -14.434 26.060 9.055 1.00 177.99 146 1.B 830 ? 1 -ATOM C C GLU 1.B 1 146 . -15.144 26.045 7.707 1.00 182.92 146 1.B 831 ? 1 -ATOM O O GLU 1.B 1 146 . -15.725 27.047 7.293 1.00 182.02 146 1.B 832 ? 1 -ATOM C CB GLU 1.B 1 146 . -15.417 25.704 10.173 1.00 173.85 146 1.B 833 ? 1 -ATOM C CG GLU 1.B 1 146 . -16.279 24.487 9.917 1.00 168.73 146 1.B 834 ? 1 -ATOM C CD GLU 1.B 1 146 . -17.258 24.243 11.046 1.00 163.96 146 1.B 835 ? 1 -ATOM O OE1 GLU 1.B 1 146 . -17.206 24.991 12.045 1.00 160.83 146 1.B 836 ? 1 -ATOM O OE2 GLU 1.B 1 146 . -18.077 23.308 10.937 1.00 164.78 146 1.B 837 ? 1 -ATOM N N HIS 1.B 1 147 . -15.093 24.906 7.023 1.00 185.90 147 1.B 838 ? 1 -ATOM C CA HIS 1.B 1 147 . -15.754 24.771 5.731 1.00 188.69 147 1.B 839 ? 1 -ATOM C C HIS 1.B 1 147 . -17.080 24.028 5.830 1.00 188.14 147 1.B 840 ? 1 -ATOM O O HIS 1.B 1 147 . -17.109 22.805 5.972 1.00 187.73 147 1.B 841 ? 1 -ATOM C CB HIS 1.B 1 147 . -14.851 24.058 4.726 1.00 196.70 147 1.B 842 ? 1 -ATOM C CG HIS 1.B 1 147 . -15.573 23.592 3.503 1.00 201.98 147 1.B 843 ? 1 -ATOM N ND1 HIS 1.B 1 147 . -15.703 24.372 2.372 1.00 202.86 147 1.B 844 ? 1 -ATOM C CD2 HIS 1.B 1 147 . -16.222 22.433 3.236 1.00 205.60 147 1.B 845 ? 1 -ATOM C CE1 HIS 1.B 1 147 . -16.392 23.708 1.461 1.00 204.32 147 1.B 846 ? 1 -ATOM N NE2 HIS 1.B 1 147 . -16.719 22.532 1.959 1.00 206.27 147 1.B 847 ? 1 -ATOM N N MET 1.B 1 148 . -18.176 24.773 5.746 1.00 193.27 148 1.B 848 ? 1 -ATOM C CA MET 1.B 1 148 . -19.503 24.174 5.729 1.00 197.25 148 1.B 849 ? 1 -ATOM C C MET 1.B 1 148 . -19.883 23.849 4.287 1.00 198.01 148 1.B 850 ? 1 -ATOM O O MET 1.B 1 148 . -20.327 24.722 3.540 1.00 195.10 148 1.B 851 ? 1 -ATOM C CB MET 1.B 1 148 . -20.528 25.121 6.357 1.00 196.26 148 1.B 852 ? 1 -ATOM C CG MET 1.B 1 148 . -20.090 25.735 7.684 1.00 197.37 148 1.B 853 ? 1 -ATOM S SD MET 1.B 1 148 . -20.289 24.658 9.121 1.00 170.61 148 1.B 854 ? 1 -ATOM C CE MET 1.B 1 148 . -22.072 24.536 9.227 1.00 199.53 148 1.B 855 ? 1 -ATOM N N ASP 1.B 1 149 . -19.700 22.590 3.902 1.00 200.05 149 1.B 856 ? 1 -ATOM C CA ASP 1.B 1 149 . -19.902 22.162 2.519 1.00 198.52 149 1.B 857 ? 1 -ATOM C C ASP 1.B 1 149 . -21.316 22.419 1.992 1.00 195.41 149 1.B 858 ? 1 -ATOM O O ASP 1.B 1 149 . -21.530 22.472 0.781 1.00 198.80 149 1.B 859 ? 1 -ATOM C CB ASP 1.B 1 149 . -19.541 20.682 2.358 1.00 199.04 149 1.B 860 ? 1 -ATOM C CG ASP 1.B 1 149 . -20.375 19.777 3.245 1.00 198.04 149 1.B 861 ? 1 -ATOM O OD1 ASP 1.B 1 149 . -21.161 20.298 4.061 1.00 196.25 149 1.B 862 ? 1 -ATOM O OD2 ASP 1.B 1 149 . -20.244 18.540 3.127 1.00 199.29 149 1.B 863 ? 1 -ATOM N N GLY 1.B 1 150 . -22.274 22.580 2.899 1.00 183.32 150 1.B 864 ? 1 -ATOM C CA GLY 1.B 1 150 . -23.657 22.785 2.507 1.00 177.09 150 1.B 865 ? 1 -ATOM C C GLY 1.B 1 150 . -23.970 24.209 2.086 1.00 174.95 150 1.B 866 ? 1 -ATOM O O GLY 1.B 1 150 . -25.039 24.482 1.539 1.00 172.86 150 1.B 867 ? 1 -ATOM N N GLY 1.B 1 151 . -23.038 25.121 2.342 1.00 183.61 151 1.B 868 ? 1 -ATOM C CA GLY 1.B 1 151 . -23.215 26.514 1.974 1.00 182.07 151 1.B 869 ? 1 -ATOM C C GLY 1.B 1 151 . -24.212 27.246 2.854 1.00 177.73 151 1.B 870 ? 1 -ATOM O O GLY 1.B 1 151 . -24.954 26.626 3.617 1.00 179.29 151 1.B 871 ? 1 -ATOM N N SER 1.B 1 152 . -24.225 28.572 2.748 1.00 159.83 152 1.B 872 ? 1 -ATOM C CA SER 1.B 1 152 . -25.149 29.391 3.522 1.00 152.37 152 1.B 873 ? 1 -ATOM C C SER 1.B 1 152 . -26.577 29.115 3.084 1.00 146.84 152 1.B 874 ? 1 -ATOM O O SER 1.B 1 152 . -26.822 28.761 1.931 1.00 145.23 152 1.B 875 ? 1 -ATOM C CB SER 1.B 1 152 . -24.839 30.875 3.340 1.00 151.21 152 1.B 876 ? 1 -ATOM O OG SER 1.B 1 152 . -25.299 31.336 2.082 1.00 149.93 152 1.B 877 ? 1 -ATOM N N LEU 1.B 1 153 . -27.516 29.289 4.007 1.00 148.40 153 1.B 878 ? 1 -ATOM C CA LEU 1.B 1 153 . -28.923 29.031 3.722 1.00 150.80 153 1.B 879 ? 1 -ATOM C C LEU 1.B 1 153 . -29.409 29.845 2.532 1.00 154.26 153 1.B 880 ? 1 -ATOM O O LEU 1.B 1 153 . -30.419 29.512 1.914 1.00 153.42 153 1.B 881 ? 1 -ATOM C CB LEU 1.B 1 153 . -29.786 29.318 4.951 1.00 150.13 153 1.B 882 ? 1 -ATOM C CG LEU 1.B 1 153 . -29.547 28.396 6.146 1.00 150.43 153 1.B 883 ? 1 -ATOM C CD1 LEU 1.B 1 153 . -30.522 28.705 7.270 1.00 149.46 153 1.B 884 ? 1 -ATOM C CD2 LEU 1.B 1 153 . -29.657 26.941 5.721 1.00 149.92 153 1.B 885 ? 1 -ATOM N N ASP 1.B 1 154 . -28.688 30.915 2.217 1.00 169.00 154 1.B 886 ? 1 -ATOM C CA ASP 1.B 1 154 . -29.012 31.734 1.059 1.00 176.51 154 1.B 887 ? 1 -ATOM C C ASP 1.B 1 154 . -28.936 30.891 -0.206 1.00 179.10 154 1.B 888 ? 1 -ATOM O O ASP 1.B 1 154 . -29.858 30.887 -1.021 1.00 179.71 154 1.B 889 ? 1 -ATOM C CB ASP 1.B 1 154 . -28.049 32.915 0.954 1.00 183.09 154 1.B 890 ? 1 -ATOM C CG ASP 1.B 1 154 . -28.356 33.812 -0.227 1.00 189.27 154 1.B 891 ? 1 -ATOM O OD1 ASP 1.B 1 154 . -29.457 33.682 -0.802 1.00 190.61 154 1.B 892 ? 1 -ATOM O OD2 ASP 1.B 1 154 . -27.500 34.650 -0.579 1.00 192.70 154 1.B 893 ? 1 -ATOM N N GLN 1.B 1 155 . -27.829 30.174 -0.360 1.00 180.83 155 1.B 894 ? 1 -ATOM C CA GLN 1.B 1 155 . -27.633 29.311 -1.514 1.00 181.52 155 1.B 895 ? 1 -ATOM C C GLN 1.B 1 155 . -28.654 28.184 -1.524 1.00 178.30 155 1.B 896 ? 1 -ATOM O O GLN 1.B 1 155 . -29.284 27.911 -2.545 1.00 181.50 155 1.B 897 ? 1 -ATOM C CB GLN 1.B 1 155 . -26.219 28.735 -1.507 1.00 184.87 155 1.B 898 ? 1 -ATOM C CG GLN 1.B 1 155 . -25.135 29.791 -1.563 1.00 188.34 155 1.B 899 ? 1 -ATOM C CD GLN 1.B 1 155 . -23.756 29.209 -1.357 1.00 194.45 155 1.B 900 ? 1 -ATOM O OE1 GLN 1.B 1 155 . -23.608 28.104 -0.837 1.00 196.91 155 1.B 901 ? 1 -ATOM N NE2 GLN 1.B 1 155 . -22.733 29.953 -1.762 1.00 195.89 155 1.B 902 ? 1 -ATOM N N VAL 1.B 1 156 . -28.814 27.533 -0.378 1.00 153.29 156 1.B 903 ? 1 -ATOM C CA VAL 1.B 1 156 . -29.753 26.427 -0.254 1.00 151.01 156 1.B 904 ? 1 -ATOM C C VAL 1.B 1 156 . -31.173 26.856 -0.616 1.00 151.80 156 1.B 905 ? 1 -ATOM O O VAL 1.B 1 156 . -31.904 26.115 -1.270 1.00 152.84 156 1.B 906 ? 1 -ATOM C CB VAL 1.B 1 156 . -29.741 25.834 1.167 1.00 149.64 156 1.B 907 ? 1 -ATOM C CG1 VAL 1.B 1 156 . -30.748 24.698 1.279 1.00 149.44 156 1.B 908 ? 1 -ATOM C CG2 VAL 1.B 1 156 . -28.343 25.351 1.525 1.00 151.77 156 1.B 909 ? 1 -ATOM N N LEU 1.B 1 157 . -31.555 28.059 -0.199 1.00 170.79 157 1.B 910 ? 1 -ATOM C CA LEU 1.B 1 157 . -32.895 28.569 -0.476 1.00 177.73 157 1.B 911 ? 1 -ATOM C C LEU 1.B 1 157 . -33.119 28.781 -1.971 1.00 179.16 157 1.B 912 ? 1 -ATOM O O LEU 1.B 1 157 . -34.258 28.834 -2.437 1.00 176.81 157 1.B 913 ? 1 -ATOM C CB LEU 1.B 1 157 . -33.146 29.871 0.290 1.00 183.06 157 1.B 914 ? 1 -ATOM C CG LEU 1.B 1 157 . -34.545 30.484 0.180 1.00 186.36 157 1.B 915 ? 1 -ATOM C CD1 LEU 1.B 1 157 . -35.620 29.451 0.478 1.00 186.96 157 1.B 916 ? 1 -ATOM C CD2 LEU 1.B 1 157 . -34.684 31.686 1.104 1.00 186.19 157 1.B 917 ? 1 -ATOM N N LYS 1.B 1 158 . -32.027 28.900 -2.720 1.00 184.68 158 1.B 918 ? 1 -ATOM C CA LYS 1.B 1 158 . -32.109 29.077 -4.165 1.00 188.56 158 1.B 919 ? 1 -ATOM C C LYS 1.B 1 158 . -32.313 27.740 -4.872 1.00 192.98 158 1.B 920 ? 1 -ATOM O O LYS 1.B 1 158 . -33.037 27.653 -5.865 1.00 197.86 158 1.B 921 ? 1 -ATOM C CB LYS 1.B 1 158 . -30.850 29.768 -4.695 1.00 187.19 158 1.B 922 ? 1 -ATOM C CG LYS 1.B 1 158 . -30.817 29.919 -6.207 1.00 190.26 158 1.B 923 ? 1 -ATOM C CD LYS 1.B 1 158 . -29.657 30.796 -6.655 1.00 193.01 158 1.B 924 ? 1 -ATOM C CE LYS 1.B 1 158 . -29.831 32.231 -6.181 1.00 191.58 158 1.B 925 ? 1 -ATOM N NZ LYS 1.B 1 158 . -28.740 33.118 -6.672 1.00 190.70 158 1.B 926 ? 1 -ATOM N N LYS 1.B 1 159 . -31.672 26.700 -4.349 1.00 184.88 159 1.B 927 ? 1 -ATOM C CA LYS 1.B 1 159 . -31.749 25.373 -4.945 1.00 185.99 159 1.B 928 ? 1 -ATOM C C LYS 1.B 1 159 . -32.843 24.537 -4.295 1.00 184.49 159 1.B 929 ? 1 -ATOM O O LYS 1.B 1 159 . -32.797 23.309 -4.324 1.00 185.76 159 1.B 930 ? 1 -ATOM C CB LYS 1.B 1 159 . -30.399 24.660 -4.828 1.00 191.31 159 1.B 931 ? 1 -ATOM C CG LYS 1.B 1 159 . -29.245 25.429 -5.456 1.00 196.22 159 1.B 932 ? 1 -ATOM C CD LYS 1.B 1 159 . -27.904 24.759 -5.194 1.00 199.75 159 1.B 933 ? 1 -ATOM C CE LYS 1.B 1 159 . -26.762 25.591 -5.763 1.00 201.43 159 1.B 934 ? 1 -ATOM N NZ LYS 1.B 1 159 . -25.423 25.020 -5.443 1.00 203.32 159 1.B 935 ? 1 -ATOM N N ALA 1.B 1 160 . -33.828 25.212 -3.710 1.00 184.84 160 1.B 936 ? 1 -ATOM C CA ALA 1.B 1 160 . -34.944 24.535 -3.057 1.00 188.27 160 1.B 937 ? 1 -ATOM C C ALA 1.B 1 160 . -36.238 25.325 -3.225 1.00 191.77 160 1.B 938 ? 1 -ATOM O O ALA 1.B 1 160 . -37.332 24.798 -3.011 1.00 189.05 160 1.B 939 ? 1 -ATOM C CB ALA 1.B 1 160 . -34.642 24.312 -1.584 1.00 185.34 160 1.B 940 ? 1 -ATOM N N GLY 1.B 1 161 . -36.104 26.590 -3.610 1.00 205.30 161 1.B 941 ? 1 -ATOM C CA GLY 1.B 1 161 . -37.252 27.454 -3.818 1.00 205.36 161 1.B 942 ? 1 -ATOM C C GLY 1.B 1 161 . -37.867 27.928 -2.517 1.00 199.17 161 1.B 943 ? 1 -ATOM O O GLY 1.B 1 161 . -37.832 29.116 -2.197 1.00 198.31 161 1.B 944 ? 1 -ATOM N N ARG 1.B 1 162 . -38.439 26.992 -1.767 1.00 194.24 162 1.B 945 ? 1 -ATOM C CA ARG 1.B 1 162 . -39.046 27.297 -0.479 1.00 192.16 162 1.B 946 ? 1 -ATOM C C ARG 1.B 1 162 . -38.627 26.262 0.562 1.00 184.94 162 1.B 947 ? 1 -ATOM O O ARG 1.B 1 162 . -38.523 25.074 0.259 1.00 191.72 162 1.B 948 ? 1 -ATOM C CB ARG 1.B 1 162 . -40.572 27.361 -0.606 1.00 201.17 162 1.B 949 ? 1 -ATOM C CG ARG 1.B 1 162 . -41.164 26.336 -1.565 1.00 212.57 162 1.B 950 ? 1 -ATOM C CD ARG 1.B 1 162 . -42.652 26.579 -1.796 1.00 220.56 162 1.B 951 ? 1 -ATOM N NE ARG 1.B 1 162 . -43.185 25.752 -2.877 1.00 228.36 162 1.B 952 ? 1 -ATOM C CZ ARG 1.B 1 162 . -43.249 26.134 -4.150 1.00 233.21 162 1.B 953 ? 1 -ATOM N NH1 ARG 1.B 1 162 . -42.814 27.335 -4.508 1.00 234.06 162 1.B 954 ? 1 -ATOM N NH2 ARG 1.B 1 162 . -43.748 25.316 -5.067 1.00 235.92 162 1.B 955 ? 1 -ATOM N N ILE 1.B 1 163 . -38.380 26.720 1.786 1.00 153.90 163 1.B 956 ? 1 -ATOM C CA ILE 1.B 1 163 . -37.879 25.847 2.842 1.00 142.62 163 1.B 957 ? 1 -ATOM C C ILE 1.B 1 163 . -38.972 25.426 3.817 1.00 141.54 163 1.B 958 ? 1 -ATOM O O ILE 1.B 1 163 . -39.718 26.266 4.317 1.00 144.64 163 1.B 959 ? 1 -ATOM C CB ILE 1.B 1 163 . -36.741 26.523 3.620 1.00 135.85 163 1.B 960 ? 1 -ATOM C CG1 ILE 1.B 1 163 . -35.568 26.813 2.682 1.00 134.45 163 1.B 961 ? 1 -ATOM C CG2 ILE 1.B 1 163 . -36.303 25.649 4.784 1.00 135.23 163 1.B 962 ? 1 -ATOM C CD1 ILE 1.B 1 163 . -34.427 27.560 3.330 1.00 131.53 163 1.B 963 ? 1 -ATOM N N PRO 1.B 1 164 . -39.066 24.114 4.089 1.00 143.74 164 1.B 964 ? 1 -ATOM C CA PRO 1.B 1 164 . -40.074 23.521 4.977 1.00 140.10 164 1.B 965 ? 1 -ATOM C C PRO 1.B 1 164 . -39.993 24.055 6.403 1.00 138.24 164 1.B 966 ? 1 -ATOM O O PRO 1.B 1 164 . -38.896 24.234 6.933 1.00 135.61 164 1.B 967 ? 1 -ATOM C CB PRO 1.B 1 164 . -39.719 22.030 4.962 1.00 142.46 164 1.B 968 ? 1 -ATOM C CG PRO 1.B 1 164 . -38.979 21.827 3.689 1.00 145.43 164 1.B 969 ? 1 -ATOM C CD PRO 1.B 1 164 . -38.204 23.089 3.477 1.00 145.24 164 1.B 970 ? 1 -ATOM N N GLU 1.B 1 165 . -41.151 24.294 7.012 1.00 141.43 165 1.B 971 ? 1 -ATOM C CA GLU 1.B 1 165 . -41.225 24.805 8.376 1.00 144.04 165 1.B 972 ? 1 -ATOM C C GLU 1.B 1 165 . -40.522 23.877 9.361 1.00 154.01 165 1.B 973 ? 1 -ATOM O O GLU 1.B 1 165 . -39.764 24.331 10.218 1.00 153.53 165 1.B 974 ? 1 -ATOM C CB GLU 1.B 1 165 . -42.685 25.004 8.794 1.00 141.90 165 1.B 975 ? 1 -ATOM C CG GLU 1.B 1 165 . -42.867 25.402 10.253 1.00 140.58 165 1.B 976 ? 1 -ATOM C CD GLU 1.B 1 165 . -44.328 25.518 10.658 1.00 137.44 165 1.B 977 ? 1 -ATOM O OE1 GLU 1.B 1 165 . -45.182 25.715 9.768 1.00 140.46 165 1.B 978 ? 1 -ATOM O OE2 GLU 1.B 1 165 . -44.621 25.414 11.868 1.00 130.17 165 1.B 979 ? 1 -ATOM N N GLN 1.B 1 166 . -40.779 22.579 9.232 1.00 180.63 166 1.B 980 ? 1 -ATOM C CA GLN 1.B 1 166 . -40.179 21.577 10.109 1.00 189.74 166 1.B 981 ? 1 -ATOM C C GLN 1.B 1 166 . -38.687 21.835 10.287 1.00 184.23 166 1.B 982 ? 1 -ATOM O O GLN 1.B 1 166 . -38.142 21.669 11.379 1.00 185.29 166 1.B 983 ? 1 -ATOM C CB GLN 1.B 1 166 . -40.392 20.174 9.540 1.00 202.66 166 1.B 984 ? 1 -ATOM C CG GLN 1.B 1 166 . -41.827 19.869 9.139 1.00 213.06 166 1.B 985 ? 1 -ATOM C CD GLN 1.B 1 166 . -41.947 18.582 8.345 1.00 222.58 166 1.B 986 ? 1 -ATOM O OE1 GLN 1.B 1 166 . -40.972 17.848 8.179 1.00 224.56 166 1.B 987 ? 1 -ATOM N NE2 GLN 1.B 1 166 . -43.147 18.303 7.846 1.00 226.76 166 1.B 988 ? 1 -ATOM N N ILE 1.B 1 167 . -38.038 22.248 9.203 1.00 165.55 167 1.B 989 ? 1 -ATOM C CA ILE 1.B 1 167 . -36.606 22.515 9.209 1.00 161.11 167 1.B 990 ? 1 -ATOM C C ILE 1.B 1 167 . -36.273 23.867 9.828 1.00 156.33 167 1.B 991 ? 1 -ATOM O O ILE 1.B 1 167 . -35.386 23.965 10.676 1.00 159.81 167 1.B 992 ? 1 -ATOM C CB ILE 1.B 1 167 . -36.025 22.465 7.790 1.00 162.17 167 1.B 993 ? 1 -ATOM C CG1 ILE 1.B 1 167 . -36.089 21.039 7.246 1.00 168.00 167 1.B 994 ? 1 -ATOM C CG2 ILE 1.B 1 167 . -34.594 22.976 7.783 1.00 160.56 167 1.B 995 ? 1 -ATOM C CD1 ILE 1.B 1 167 . -35.446 20.877 5.891 1.00 171.72 167 1.B 996 ? 1 -ATOM N N LEU 1.B 1 168 . -36.983 24.907 9.396 1.00 137.75 168 1.B 997 ? 1 -ATOM C CA LEU 1.B 1 168 . -36.768 26.255 9.913 1.00 127.78 168 1.B 998 ? 1 -ATOM C C LEU 1.B 1 168 . -36.763 26.267 11.434 1.00 130.66 168 1.B 999 ? 1 -ATOM O O LEU 1.B 1 168 . -36.183 27.159 12.052 1.00 129.80 168 1.B 1000 ? 1 -ATOM C CB LEU 1.B 1 168 . -37.844 27.207 9.396 1.00 121.58 168 1.B 1001 ? 1 -ATOM C CG LEU 1.B 1 168 . -37.861 27.396 7.883 1.00 122.01 168 1.B 1002 ? 1 -ATOM C CD1 LEU 1.B 1 168 . -38.921 28.406 7.481 1.00 120.08 168 1.B 1003 ? 1 -ATOM C CD2 LEU 1.B 1 168 . -36.489 27.834 7.410 1.00 123.98 168 1.B 1004 ? 1 -ATOM N N GLY 1.B 1 169 . -37.419 25.274 12.030 1.00 140.76 169 1.B 1005 ? 1 -ATOM C CA GLY 1.B 1 169 . -37.439 25.122 13.472 1.00 140.94 169 1.B 1006 ? 1 -ATOM C C GLY 1.B 1 169 . -36.051 24.854 14.014 1.00 140.11 169 1.B 1007 ? 1 -ATOM O O GLY 1.B 1 169 . -35.556 25.585 14.869 1.00 139.45 169 1.B 1008 ? 1 -ATOM N N LYS 1.B 1 170 . -35.421 23.798 13.512 1.00 148.25 170 1.B 1009 ? 1 -ATOM C CA LYS 1.B 1 170 . -34.043 23.495 13.871 1.00 153.38 170 1.B 1010 ? 1 -ATOM C C LYS 1.B 1 170 . -33.173 24.722 13.622 1.00 149.69 170 1.B 1011 ? 1 -ATOM O O LYS 1.B 1 170 . -32.382 25.122 14.475 1.00 153.57 170 1.B 1012 ? 1 -ATOM C CB LYS 1.B 1 170 . -33.526 22.310 13.053 1.00 157.35 170 1.B 1013 ? 1 -ATOM C CG LYS 1.B 1 170 . -34.403 21.070 13.127 1.00 158.81 170 1.B 1014 ? 1 -ATOM C CD LYS 1.B 1 170 . -34.523 20.562 14.553 1.00 161.57 170 1.B 1015 ? 1 -ATOM C CE LYS 1.B 1 170 . -35.345 19.286 14.611 1.00 165.21 170 1.B 1016 ? 1 -ATOM N NZ LYS 1.B 1 170 . -35.438 18.747 15.994 1.00 168.31 170 1.B 1017 ? 1 -ATOM N N VAL 1.B 1 171 . -33.334 25.316 12.444 1.00 134.60 171 1.B 1018 ? 1 -ATOM C CA VAL 1.B 1 171 . -32.620 26.534 12.083 1.00 130.43 171 1.B 1019 ? 1 -ATOM C C VAL 1.B 1 171 . -32.824 27.627 13.127 1.00 128.57 171 1.B 1020 ? 1 -ATOM O O VAL 1.B 1 171 . -31.859 28.160 13.673 1.00 130.97 171 1.B 1021 ? 1 -ATOM C CB VAL 1.B 1 171 . -33.081 27.057 10.713 1.00 130.22 171 1.B 1022 ? 1 -ATOM C CG1 VAL 1.B 1 171 . -32.375 28.356 10.375 1.00 130.72 171 1.B 1023 ? 1 -ATOM C CG2 VAL 1.B 1 171 . -32.833 26.010 9.637 1.00 130.37 171 1.B 1024 ? 1 -ATOM N N SER 1.B 1 172 . -34.085 27.957 13.397 1.00 120.71 172 1.B 1025 ? 1 -ATOM C CA SER 1.B 1 172 . -34.431 28.957 14.402 1.00 122.45 172 1.B 1026 ? 1 -ATOM C C SER 1.B 1 172 . -33.737 28.665 15.726 1.00 125.57 172 1.B 1027 ? 1 -ATOM O O SER 1.B 1 172 . -33.123 29.544 16.329 1.00 129.59 172 1.B 1028 ? 1 -ATOM C CB SER 1.B 1 172 . -35.945 28.999 14.613 1.00 124.28 172 1.B 1029 ? 1 -ATOM O OG SER 1.B 1 172 . -36.612 29.440 13.445 1.00 123.74 172 1.B 1030 ? 1 -ATOM N N ILE 1.B 1 173 . -33.843 27.422 16.176 1.00 131.21 173 1.B 1031 ? 1 -ATOM C CA ILE 1.B 1 173 . -33.188 27.001 17.404 1.00 133.80 173 1.B 1032 ? 1 -ATOM C C ILE 1.B 1 173 . -31.697 27.304 17.350 1.00 130.79 173 1.B 1033 ? 1 -ATOM O O ILE 1.B 1 173 . -31.184 28.094 18.143 1.00 131.38 173 1.B 1034 ? 1 -ATOM C CB ILE 1.B 1 173 . -33.395 25.500 17.660 1.00 139.11 173 1.B 1035 ? 1 -ATOM C CG1 ILE 1.B 1 173 . -34.880 25.207 17.882 1.00 135.73 173 1.B 1036 ? 1 -ATOM C CG2 ILE 1.B 1 173 . -32.575 25.045 18.857 1.00 146.52 173 1.B 1037 ? 1 -ATOM C CD1 ILE 1.B 1 173 . -35.179 23.757 18.167 1.00 135.64 173 1.B 1038 ? 1 -ATOM N N ALA 1.B 1 174 . -31.006 26.674 16.406 1.00 126.51 174 1.B 1039 ? 1 -ATOM C CA ALA 1.B 1 174 . -29.572 26.872 16.249 1.00 129.80 174 1.B 1040 ? 1 -ATOM C C ALA 1.B 1 174 . -29.217 28.354 16.267 1.00 127.43 174 1.B 1041 ? 1 -ATOM O O ALA 1.B 1 174 . -28.296 28.773 16.968 1.00 129.75 174 1.B 1042 ? 1 -ATOM C CB ALA 1.B 1 174 . -29.086 26.224 14.961 1.00 130.99 174 1.B 1043 ? 1 -ATOM N N VAL 1.B 1 175 . -29.959 29.143 15.498 1.00 116.42 175 1.B 1044 ? 1 -ATOM C CA VAL 1.B 1 175 . -29.719 30.578 15.412 1.00 111.64 175 1.B 1045 ? 1 -ATOM C C VAL 1.B 1 175 . -29.824 31.241 16.779 1.00 115.62 175 1.B 1046 ? 1 -ATOM O O VAL 1.B 1 175 . -28.924 31.969 17.198 1.00 113.93 175 1.B 1047 ? 1 -ATOM C CB VAL 1.B 1 175 . -30.703 31.253 14.441 1.00 103.35 175 1.B 1048 ? 1 -ATOM C CG1 VAL 1.B 1 175 . -30.688 32.758 14.634 1.00 102.16 175 1.B 1049 ? 1 -ATOM C CG2 VAL 1.B 1 175 . -30.361 30.886 13.007 1.00 99.07 175 1.B 1050 ? 1 -ATOM N N ILE 1.B 1 176 . -30.926 30.976 17.471 1.00 140.43 176 1.B 1051 ? 1 -ATOM C CA ILE 1.B 1 176 . -31.167 31.547 18.789 1.00 147.97 176 1.B 1052 ? 1 -ATOM C C ILE 1.B 1 176 . -30.066 31.177 19.777 1.00 147.65 176 1.B 1053 ? 1 -ATOM O O ILE 1.B 1 176 . -29.551 32.035 20.491 1.00 150.84 176 1.B 1054 ? 1 -ATOM C CB ILE 1.B 1 176 . -32.518 31.090 19.352 1.00 154.61 176 1.B 1055 ? 1 -ATOM C CG1 ILE 1.B 1 176 . -33.650 31.550 18.436 1.00 153.22 176 1.B 1056 ? 1 -ATOM C CG2 ILE 1.B 1 176 . -32.716 31.628 20.758 1.00 159.39 176 1.B 1057 ? 1 -ATOM C CD1 ILE 1.B 1 176 . -34.987 30.942 18.773 1.00 155.72 176 1.B 1058 ? 1 -ATOM N N LYS 1.B 1 177 . -29.710 29.899 19.816 1.00 135.60 177 1.B 1059 ? 1 -ATOM C CA LYS 1.B 1 177 . -28.640 29.441 20.691 1.00 138.48 177 1.B 1060 ? 1 -ATOM C C LYS 1.B 1 177 . -27.320 30.101 20.313 1.00 136.35 177 1.B 1061 ? 1 -ATOM O O LYS 1.B 1 177 . -26.533 30.479 21.182 1.00 138.45 177 1.B 1062 ? 1 -ATOM C CB LYS 1.B 1 177 . -28.501 27.922 20.623 1.00 143.37 177 1.B 1063 ? 1 -ATOM C CG LYS 1.B 1 177 . -29.676 27.161 21.209 1.00 148.70 177 1.B 1064 ? 1 -ATOM C CD LYS 1.B 1 177 . -29.378 25.672 21.275 1.00 155.41 177 1.B 1065 ? 1 -ATOM C CE LYS 1.B 1 177 . -30.443 24.922 22.055 1.00 159.53 177 1.B 1066 ? 1 -ATOM N NZ LYS 1.B 1 177 . -30.101 23.480 22.197 1.00 163.05 177 1.B 1067 ? 1 -ATOM N N GLY 1.B 1 178 . -27.082 30.228 19.011 1.00 128.45 178 1.B 1068 ? 1 -ATOM C CA GLY 1.B 1 178 . -25.878 30.866 18.514 1.00 122.21 178 1.B 1069 ? 1 -ATOM C C GLY 1.B 1 178 . -25.770 32.283 19.036 1.00 116.68 178 1.B 1070 ? 1 -ATOM O O GLY 1.B 1 178 . -24.835 32.617 19.761 1.00 120.78 178 1.B 1071 ? 1 -ATOM N N LEU 1.B 1 179 . -26.744 33.110 18.669 1.00 101.94 179 1.B 1072 ? 1 -ATOM C CA LEU 1.B 1 179 . -26.809 34.493 19.128 1.00 103.09 179 1.B 1073 ? 1 -ATOM C C LEU 1.B 1 179 . -26.774 34.578 20.649 1.00 110.51 179 1.B 1074 ? 1 -ATOM O O LEU 1.B 1 179 . -26.172 35.490 21.217 1.00 114.36 179 1.B 1075 ? 1 -ATOM C CB LEU 1.B 1 179 . -28.080 35.162 18.610 1.00 98.61 179 1.B 1076 ? 1 -ATOM C CG LEU 1.B 1 179 . -28.270 35.142 17.095 1.00 96.66 179 1.B 1077 ? 1 -ATOM C CD1 LEU 1.B 1 179 . -29.626 35.716 16.725 1.00 94.60 179 1.B 1078 ? 1 -ATOM C CD2 LEU 1.B 1 179 . -27.149 35.906 16.405 1.00 97.97 179 1.B 1079 ? 1 -ATOM N N THR 1.B 1 180 . -27.434 33.631 21.306 1.00 125.63 180 1.B 1080 ? 1 -ATOM C CA THR 1.B 1 180 . -27.409 33.566 22.759 1.00 130.05 180 1.B 1081 ? 1 -ATOM C C THR 1.B 1 180 . -25.978 33.365 23.237 1.00 130.87 180 1.B 1082 ? 1 -ATOM O O THR 1.B 1 180 . -25.504 34.079 24.121 1.00 134.22 180 1.B 1083 ? 1 -ATOM C CB THR 1.B 1 180 . -28.282 32.421 23.294 1.00 133.34 180 1.B 1084 ? 1 -ATOM O OG1 THR 1.B 1 180 . -29.664 32.726 23.070 1.00 130.67 180 1.B 1085 ? 1 -ATOM C CG2 THR 1.B 1 180 . -28.049 32.230 24.784 1.00 137.28 180 1.B 1086 ? 1 -ATOM N N TYR 1.B 1 181 . -25.291 32.395 22.640 1.00 118.13 181 1.B 1087 ? 1 -ATOM C CA TYR 1.B 1 181 . -23.913 32.100 23.012 1.00 117.55 181 1.B 1088 ? 1 -ATOM C C TYR 1.B 1 181 . -23.021 33.331 22.917 1.00 119.65 181 1.B 1089 ? 1 -ATOM O O TYR 1.B 1 181 . -22.290 33.649 23.854 1.00 124.01 181 1.B 1090 ? 1 -ATOM C CB TYR 1.B 1 181 . -23.330 30.979 22.152 1.00 114.75 181 1.B 1091 ? 1 -ATOM C CG TYR 1.B 1 181 . -21.828 30.888 22.275 1.00 120.15 181 1.B 1092 ? 1 -ATOM C CD1 TYR 1.B 1 181 . -21.235 30.327 23.398 1.00 125.42 181 1.B 1093 ? 1 -ATOM C CD2 TYR 1.B 1 181 . -21.002 31.392 21.283 1.00 121.51 181 1.B 1094 ? 1 -ATOM C CE1 TYR 1.B 1 181 . -19.860 30.254 23.519 1.00 128.41 181 1.B 1095 ? 1 -ATOM C CE2 TYR 1.B 1 181 . -19.624 31.323 21.396 1.00 124.67 181 1.B 1096 ? 1 -ATOM C CZ TYR 1.B 1 181 . -19.060 30.754 22.515 1.00 127.04 181 1.B 1097 ? 1 -ATOM O OH TYR 1.B 1 181 . -17.691 30.688 22.625 1.00 131.08 181 1.B 1098 ? 1 -ATOM N N LEU 1.B 1 182 . -23.076 34.013 21.777 1.00 127.04 182 1.B 1099 ? 1 -ATOM C CA LEU 1.B 1 182 . -22.296 35.229 21.581 1.00 132.14 182 1.B 1100 ? 1 -ATOM C C LEU 1.B 1 182 . -22.496 36.217 22.724 1.00 138.61 182 1.B 1101 ? 1 -ATOM O O LEU 1.B 1 182 . -21.556 36.546 23.447 1.00 144.65 182 1.B 1102 ? 1 -ATOM C CB LEU 1.B 1 182 . -22.661 35.907 20.258 1.00 131.39 182 1.B 1103 ? 1 -ATOM C CG LEU 1.B 1 182 . -21.980 35.421 18.980 1.00 131.90 182 1.B 1104 ? 1 -ATOM C CD1 LEU 1.B 1 182 . -22.594 34.117 18.524 1.00 129.77 182 1.B 1105 ? 1 -ATOM C CD2 LEU 1.B 1 182 . -22.100 36.475 17.890 1.00 130.79 182 1.B 1106 ? 1 -ATOM N N ARG 1.B 1 183 . -23.729 36.686 22.883 1.00 131.25 183 1.B 1107 ? 1 -ATOM C CA ARG 1.B 1 183 . -24.028 37.724 23.859 1.00 135.48 183 1.B 1108 ? 1 -ATOM C C ARG 1.B 1 183 . -23.595 37.333 25.268 1.00 138.00 183 1.B 1109 ? 1 -ATOM O O ARG 1.B 1 183 . -22.993 38.129 25.985 1.00 138.95 183 1.B 1110 ? 1 -ATOM C CB ARG 1.B 1 183 . -25.519 38.059 23.841 1.00 139.23 183 1.B 1111 ? 1 -ATOM C CG ARG 1.B 1 183 . -25.849 39.418 24.430 1.00 148.25 183 1.B 1112 ? 1 -ATOM C CD ARG 1.B 1 183 . -27.342 39.587 24.604 1.00 154.28 183 1.B 1113 ? 1 -ATOM N NE ARG 1.B 1 183 . -27.872 38.664 25.602 1.00 163.91 183 1.B 1114 ? 1 -ATOM C CZ ARG 1.B 1 183 . -29.157 38.574 25.928 1.00 169.22 183 1.B 1115 ? 1 -ATOM N NH1 ARG 1.B 1 183 . -30.051 39.352 25.331 1.00 169.54 183 1.B 1116 ? 1 -ATOM N NH2 ARG 1.B 1 183 . -29.549 37.705 26.850 1.00 170.41 183 1.B 1117 ? 1 -ATOM N N GLU 1.B 1 184 . -23.898 36.101 25.659 1.00 147.22 184 1.B 1118 ? 1 -ATOM C CA GLU 1.B 1 184 . -23.625 35.651 27.017 1.00 156.09 184 1.B 1119 ? 1 -ATOM C C GLU 1.B 1 184 . -22.137 35.475 27.293 1.00 155.30 184 1.B 1120 ? 1 -ATOM O O GLU 1.B 1 184 . -21.657 35.801 28.378 1.00 159.89 184 1.B 1121 ? 1 -ATOM C CB GLU 1.B 1 184 . -24.364 34.341 27.305 1.00 166.54 184 1.B 1122 ? 1 -ATOM C CG GLU 1.B 1 184 . -25.871 34.425 27.129 1.00 174.32 184 1.B 1123 ? 1 -ATOM C CD GLU 1.B 1 184 . -26.515 35.452 28.044 1.00 183.20 184 1.B 1124 ? 1 -ATOM O OE1 GLU 1.B 1 184 . -25.874 35.850 29.040 1.00 190.95 184 1.B 1125 ? 1 -ATOM O OE2 GLU 1.B 1 184 . -27.665 35.859 27.770 1.00 180.43 184 1.B 1126 ? 1 -ATOM N N LYS 1.B 1 185 . -21.409 34.963 26.308 1.00 143.07 185 1.B 1127 ? 1 -ATOM C CA LYS 1.B 1 185 . -20.029 34.549 26.532 1.00 148.02 185 1.B 1128 ? 1 -ATOM C C LYS 1.B 1 185 . -18.987 35.512 25.965 1.00 146.78 185 1.B 1129 ? 1 -ATOM O O LYS 1.B 1 185 . -17.793 35.362 26.225 1.00 147.72 185 1.B 1130 ? 1 -ATOM C CB LYS 1.B 1 185 . -19.812 33.135 25.983 1.00 152.53 185 1.B 1131 ? 1 -ATOM C CG LYS 1.B 1 185 . -20.784 32.105 26.550 1.00 158.45 185 1.B 1132 ? 1 -ATOM C CD LYS 1.B 1 185 . -20.866 32.204 28.070 1.00 166.57 185 1.B 1133 ? 1 -ATOM C CE LYS 1.B 1 185 . -21.876 31.220 28.651 1.00 167.21 185 1.B 1134 ? 1 -ATOM N NZ LYS 1.B 1 185 . -21.396 29.811 28.593 1.00 168.24 185 1.B 1135 ? 1 -ATOM N N HIS 1.B 1 186 . -19.435 36.504 25.203 1.00 153.99 186 1.B 1136 ? 1 -ATOM C CA HIS 1.B 1 186 . -18.514 37.457 24.592 1.00 157.68 186 1.B 1137 ? 1 -ATOM C C HIS 1.B 1 186 . -19.081 38.874 24.531 1.00 155.62 186 1.B 1138 ? 1 -ATOM O O HIS 1.B 1 186 . -18.425 39.787 24.033 1.00 156.49 186 1.B 1139 ? 1 -ATOM C CB HIS 1.B 1 186 . -18.120 37.000 23.185 1.00 157.63 186 1.B 1140 ? 1 -ATOM C CG HIS 1.B 1 186 . -17.410 35.681 23.150 1.00 159.81 186 1.B 1141 ? 1 -ATOM N ND1 HIS 1.B 1 186 . -16.040 35.573 23.228 1.00 163.72 186 1.B 1142 ? 1 -ATOM C CD2 HIS 1.B 1 186 . -17.883 34.417 23.037 1.00 159.04 186 1.B 1143 ? 1 -ATOM C CE1 HIS 1.B 1 186 . -15.697 34.299 23.168 1.00 166.59 186 1.B 1144 ? 1 -ATOM N NE2 HIS 1.B 1 186 . -16.798 33.576 23.051 1.00 163.14 186 1.B 1145 ? 1 -ATOM N N LYS 1.B 1 187 . -20.299 39.052 25.034 1.00 145.82 187 1.B 1146 ? 1 -ATOM C CA LYS 1.B 1 187 . -20.959 40.356 25.022 1.00 146.29 187 1.B 1147 ? 1 -ATOM C C LYS 1.B 1 187 . -21.159 40.849 23.588 1.00 145.77 187 1.B 1148 ? 1 -ATOM O O LYS 1.B 1 187 . -21.657 41.950 23.357 1.00 143.03 187 1.B 1149 ? 1 -ATOM C CB LYS 1.B 1 187 . -20.152 41.386 25.823 1.00 148.80 187 1.B 1150 ? 1 -ATOM C CG LYS 1.B 1 187 . -19.416 40.827 27.040 1.00 153.20 187 1.B 1151 ? 1 -ATOM C CD LYS 1.B 1 187 . -20.362 40.244 28.083 1.00 151.70 187 1.B 1152 ? 1 -ATOM C CE LYS 1.B 1 187 . -19.582 39.610 29.230 1.00 153.77 187 1.B 1153 ? 1 -ATOM N NZ LYS 1.B 1 187 . -20.451 38.832 30.157 1.00 153.05 187 1.B 1154 ? 1 -ATOM N N ILE 1.B 1 188 . -20.771 40.016 22.630 1.00 162.85 188 1.B 1155 ? 1 -ATOM C CA ILE 1.B 1 188 . -20.814 40.383 21.222 1.00 162.91 188 1.B 1156 ? 1 -ATOM C C ILE 1.B 1 188 . -22.142 40.005 20.586 1.00 159.51 188 1.B 1157 ? 1 -ATOM O O ILE 1.B 1 188 . -22.660 38.913 20.813 1.00 161.60 188 1.B 1158 ? 1 -ATOM C CB ILE 1.B 1 188 . -19.685 39.687 20.442 1.00 165.66 188 1.B 1159 ? 1 -ATOM C CG1 ILE 1.B 1 188 . -18.325 40.078 21.021 1.00 171.53 188 1.B 1160 ? 1 -ATOM C CG2 ILE 1.B 1 188 . -19.766 40.025 18.960 1.00 163.88 188 1.B 1161 ? 1 -ATOM C CD1 ILE 1.B 1 188 . -17.163 39.326 20.417 1.00 173.40 188 1.B 1162 ? 1 -ATOM N N MET 1.B 1 189 . -22.694 40.914 19.792 1.00 143.11 189 1.B 1163 ? 1 -ATOM C CA MET 1.B 1 189 . -23.879 40.601 19.008 1.00 138.00 189 1.B 1164 ? 1 -ATOM C C MET 1.B 1 189 . -23.538 40.540 17.525 1.00 134.17 189 1.B 1165 ? 1 -ATOM O O MET 1.B 1 189 . -22.628 41.222 17.055 1.00 132.69 189 1.B 1166 ? 1 -ATOM C CB MET 1.B 1 189 . -24.997 41.609 19.264 1.00 136.53 189 1.B 1167 ? 1 -ATOM C CG MET 1.B 1 189 . -24.592 43.051 19.063 1.00 137.78 189 1.B 1168 ? 1 -ATOM S SD MET 1.B 1 189 . -26.007 44.148 19.230 1.00 149.14 189 1.B 1169 ? 1 -ATOM C CE MET 1.B 1 189 . -26.967 43.667 17.796 1.00 204.65 189 1.B 1170 ? 1 -ATOM N N HIS 1.B 1 190 . -24.284 39.715 16.801 1.00 124.50 190 1.B 1171 ? 1 -ATOM C CA HIS 1.B 1 190 . -24.018 39.439 15.398 1.00 119.65 190 1.B 1172 ? 1 -ATOM C C HIS 1.B 1 190 . -23.920 40.703 14.546 1.00 124.92 190 1.B 1173 ? 1 -ATOM O O HIS 1.B 1 190 . -22.994 40.851 13.751 1.00 122.60 190 1.B 1174 ? 1 -ATOM C CB HIS 1.B 1 190 . -25.104 38.524 14.845 1.00 113.15 190 1.B 1175 ? 1 -ATOM C CG HIS 1.B 1 190 . -24.625 37.618 13.763 1.00 114.19 190 1.B 1176 ? 1 -ATOM N ND1 HIS 1.B 1 190 . -24.392 38.055 12.476 1.00 114.46 190 1.B 1177 ? 1 -ATOM C CD2 HIS 1.B 1 190 . -24.326 36.298 13.773 1.00 117.66 190 1.B 1178 ? 1 -ATOM C CE1 HIS 1.B 1 190 . -23.974 37.042 11.741 1.00 117.21 190 1.B 1179 ? 1 -ATOM N NE2 HIS 1.B 1 190 . -23.924 35.963 12.503 1.00 117.91 190 1.B 1180 ? 1 -ATOM N N ARG 1.B 1 191 . -24.888 41.600 14.706 1.00 153.97 191 1.B 1181 ? 1 -ATOM C CA ARG 1.B 1 191 . -24.895 42.883 14.001 1.00 161.15 191 1.B 1182 ? 1 -ATOM C C ARG 1.B 1 191 . -25.261 42.757 12.520 1.00 156.18 191 1.B 1183 ? 1 -ATOM O O ARG 1.B 1 191 . -25.702 43.725 11.900 1.00 154.29 191 1.B 1184 ? 1 -ATOM C CB ARG 1.B 1 191 . -23.551 43.600 14.164 1.00 169.46 191 1.B 1185 ? 1 -ATOM C CG ARG 1.B 1 191 . -23.153 43.833 15.613 1.00 179.09 191 1.B 1186 ? 1 -ATOM C CD ARG 1.B 1 191 . -21.707 44.287 15.737 1.00 186.59 191 1.B 1187 ? 1 -ATOM N NE ARG 1.B 1 191 . -21.217 44.189 17.110 1.00 191.71 191 1.B 1188 ? 1 -ATOM C CZ ARG 1.B 1 191 . -21.252 45.184 17.992 1.00 194.34 191 1.B 1189 ? 1 -ATOM N NH1 ARG 1.B 1 191 . -21.756 46.362 17.650 1.00 192.77 191 1.B 1190 ? 1 -ATOM N NH2 ARG 1.B 1 191 . -20.782 45.000 19.218 1.00 197.74 191 1.B 1191 ? 1 -ATOM N N ASP 1.B 1 192 . -25.080 41.566 11.958 1.00 137.56 192 1.B 1192 ? 1 -ATOM C CA ASP 1.B 1 192 . -25.390 41.332 10.552 1.00 135.10 192 1.B 1193 ? 1 -ATOM C C ASP 1.B 1 192 . -25.927 39.923 10.337 1.00 130.49 192 1.B 1194 ? 1 -ATOM O O ASP 1.B 1 192 . -25.169 38.993 10.067 1.00 126.79 192 1.B 1195 ? 1 -ATOM C CB ASP 1.B 1 192 . -24.150 41.568 9.686 1.00 141.11 192 1.B 1196 ? 1 -ATOM C CG ASP 1.B 1 192 . -24.423 41.371 8.206 1.00 143.12 192 1.B 1197 ? 1 -ATOM O OD1 ASP 1.B 1 192 . -24.637 40.215 7.788 1.00 142.75 192 1.B 1198 ? 1 -ATOM O OD2 ASP 1.B 1 192 . -24.427 42.374 7.461 1.00 143.63 192 1.B 1199 ? 1 -ATOM N N VAL 1.B 1 193 . -27.243 39.775 10.453 1.00 137.75 193 1.B 1200 ? 1 -ATOM C CA VAL 1.B 1 193 . -27.885 38.473 10.321 1.00 136.78 193 1.B 1201 ? 1 -ATOM C C VAL 1.B 1 193 . -28.601 38.327 8.982 1.00 142.13 193 1.B 1202 ? 1 -ATOM O O VAL 1.B 1 193 . -29.610 38.985 8.727 1.00 144.53 193 1.B 1203 ? 1 -ATOM C CB VAL 1.B 1 193 . -28.887 38.223 11.461 1.00 130.67 193 1.B 1204 ? 1 -ATOM C CG1 VAL 1.B 1 193 . -29.661 36.944 11.212 1.00 127.42 193 1.B 1205 ? 1 -ATOM C CG2 VAL 1.B 1 193 . -28.165 38.165 12.796 1.00 132.31 193 1.B 1206 ? 1 -ATOM N N LYS 1.B 1 194 . -28.065 37.461 8.130 1.00 146.33 194 1.B 1207 ? 1 -ATOM C CA LYS 1.B 1 194 . -28.646 37.191 6.823 1.00 144.15 194 1.B 1208 ? 1 -ATOM C C LYS 1.B 1 194 . -28.689 35.689 6.604 1.00 143.08 194 1.B 1209 ? 1 -ATOM O O LYS 1.B 1 194 . -27.927 34.949 7.225 1.00 146.87 194 1.B 1210 ? 1 -ATOM C CB LYS 1.B 1 194 . -27.799 37.825 5.718 1.00 144.53 194 1.B 1211 ? 1 -ATOM C CG LYS 1.B 1 194 . -27.514 39.304 5.896 1.00 145.23 194 1.B 1212 ? 1 -ATOM C CD LYS 1.B 1 194 . -26.471 39.777 4.894 1.00 145.75 194 1.B 1213 ? 1 -ATOM C CE LYS 1.B 1 194 . -26.136 41.247 5.098 1.00 149.86 194 1.B 1214 ? 1 -ATOM N NZ LYS 1.B 1 194 . -25.038 41.706 4.202 1.00 152.26 194 1.B 1215 ? 1 -ATOM N N PRO 1.B 1 195 . -29.578 35.229 5.714 1.00 133.62 195 1.B 1216 ? 1 -ATOM C CA PRO 1.B 1 195 . -29.596 33.814 5.331 1.00 132.73 195 1.B 1217 ? 1 -ATOM C C PRO 1.B 1 195 . -28.258 33.415 4.719 1.00 138.43 195 1.B 1218 ? 1 -ATOM O O PRO 1.B 1 195 . -27.883 32.242 4.743 1.00 144.74 195 1.B 1219 ? 1 -ATOM C CB PRO 1.B 1 195 . -30.696 33.754 4.269 1.00 129.94 195 1.B 1220 ? 1 -ATOM C CG PRO 1.B 1 195 . -31.561 34.939 4.542 1.00 130.12 195 1.B 1221 ? 1 -ATOM C CD PRO 1.B 1 195 . -30.637 36.003 5.046 1.00 131.06 195 1.B 1222 ? 1 -ATOM N N SER 1.B 1 196 . -27.547 34.401 4.179 1.00 133.47 196 1.B 1223 ? 1 -ATOM C CA SER 1.B 1 196 . -26.251 34.183 3.550 1.00 126.45 196 1.B 1224 ? 1 -ATOM C C SER 1.B 1 196 . -25.149 34.022 4.586 1.00 120.77 196 1.B 1225 ? 1 -ATOM O O SER 1.B 1 196 . -23.983 33.851 4.241 1.00 119.66 196 1.B 1226 ? 1 -ATOM C CB SER 1.B 1 196 . -25.917 35.355 2.629 1.00 126.55 196 1.B 1227 ? 1 -ATOM O OG SER 1.B 1 196 . -26.093 36.591 3.303 1.00 124.40 196 1.B 1228 ? 1 -ATOM N N ASN 1.B 1 197 . -25.527 34.086 5.858 1.00 119.84 197 1.B 1229 ? 1 -ATOM C CA ASN 1.B 1 197 . -24.566 34.006 6.947 1.00 120.85 197 1.B 1230 ? 1 -ATOM C C ASN 1.B 1 197 . -24.855 32.849 7.887 1.00 118.73 197 1.B 1231 ? 1 -ATOM O O ASN 1.B 1 197 . -24.213 32.706 8.926 1.00 120.46 197 1.B 1232 ? 1 -ATOM C CB ASN 1.B 1 197 . -24.535 35.317 7.730 1.00 124.36 197 1.B 1233 ? 1 -ATOM C CG ASN 1.B 1 197 . -23.832 36.425 6.976 1.00 132.61 197 1.B 1234 ? 1 -ATOM O OD1 ASN 1.B 1 197 . -23.108 36.174 6.010 1.00 134.58 197 1.B 1235 ? 1 -ATOM N ND2 ASN 1.B 1 197 . -24.036 37.660 7.415 1.00 135.48 197 1.B 1236 ? 1 -ATOM N N ILE 1.B 1 198 . -25.834 32.029 7.525 1.00 113.59 198 1.B 1237 ? 1 -ATOM C CA ILE 1.B 1 198 . -26.144 30.844 8.309 1.00 117.24 198 1.B 1238 ? 1 -ATOM C C ILE 1.B 1 198 . -25.648 29.609 7.580 1.00 126.27 198 1.B 1239 ? 1 -ATOM O O ILE 1.B 1 198 . -26.341 29.051 6.729 1.00 126.28 198 1.B 1240 ? 1 -ATOM C CB ILE 1.B 1 198 . -27.646 30.699 8.569 1.00 112.66 198 1.B 1241 ? 1 -ATOM C CG1 ILE 1.B 1 198 . -28.209 31.991 9.158 1.00 105.25 198 1.B 1242 ? 1 -ATOM C CG2 ILE 1.B 1 198 . -27.905 29.525 9.501 1.00 114.92 198 1.B 1243 ? 1 -ATOM C CD1 ILE 1.B 1 198 . -29.619 31.854 9.672 1.00 100.42 198 1.B 1244 ? 1 -ATOM N N LEU 1.B 1 199 . -24.438 29.188 7.916 1.00 140.46 199 1.B 1245 ? 1 -ATOM C CA LEU 1.B 1 199 . -23.816 28.072 7.229 1.00 144.68 199 1.B 1246 ? 1 -ATOM C C LEU 1.B 1 199 . -24.363 26.746 7.737 1.00 149.66 199 1.B 1247 ? 1 -ATOM O O LEU 1.B 1 199 . -24.668 26.598 8.921 1.00 149.23 199 1.B 1248 ? 1 -ATOM C CB LEU 1.B 1 199 . -22.300 28.129 7.395 1.00 144.76 199 1.B 1249 ? 1 -ATOM C CG LEU 1.B 1 199 . -21.665 29.496 7.133 1.00 142.78 199 1.B 1250 ? 1 -ATOM C CD1 LEU 1.B 1 199 . -20.162 29.352 7.025 1.00 146.43 199 1.B 1251 ? 1 -ATOM C CD2 LEU 1.B 1 199 . -22.232 30.136 5.874 1.00 139.94 199 1.B 1252 ? 1 -ATOM N N VAL 1.B 1 200 . -24.496 25.790 6.826 1.00 158.86 200 1.B 1253 ? 1 -ATOM C CA VAL 1.B 1 200 . -25.000 24.470 7.169 1.00 165.70 200 1.B 1254 ? 1 -ATOM C C VAL 1.B 1 200 . -24.269 23.393 6.377 1.00 170.10 200 1.B 1255 ? 1 -ATOM O O VAL 1.B 1 200 . -24.311 23.380 5.149 1.00 168.49 200 1.B 1256 ? 1 -ATOM C CB VAL 1.B 1 200 . -26.513 24.365 6.907 1.00 166.71 200 1.B 1257 ? 1 -ATOM C CG1 VAL 1.B 1 200 . -26.959 22.914 6.935 1.00 170.78 200 1.B 1258 ? 1 -ATOM C CG2 VAL 1.B 1 200 . -27.286 25.186 7.929 1.00 166.23 200 1.B 1259 ? 1 -ATOM N N ASN 1.B 1 201 . -23.593 22.496 7.088 1.00 171.38 201 1.B 1260 ? 1 -ATOM C CA ASN 1.B 1 201 . -22.859 21.408 6.452 1.00 174.32 201 1.B 1261 ? 1 -ATOM C C ASN 1.B 1 201 . -23.672 20.117 6.388 1.00 176.67 201 1.B 1262 ? 1 -ATOM O O ASN 1.B 1 201 . -24.810 20.063 6.856 1.00 173.41 201 1.B 1263 ? 1 -ATOM C CB ASN 1.B 1 201 . -21.529 21.164 7.170 1.00 177.77 201 1.B 1264 ? 1 -ATOM C CG ASN 1.B 1 201 . -21.714 20.686 8.598 1.00 180.12 201 1.B 1265 ? 1 -ATOM O OD1 ASN 1.B 1 201 . -22.811 20.295 8.998 1.00 178.07 201 1.B 1266 ? 1 -ATOM N ND2 ASN 1.B 1 201 . -20.637 20.710 9.375 1.00 183.61 201 1.B 1267 ? 1 -ATOM N N SER 1.B 1 202 . -23.072 19.078 5.817 1.00 176.11 202 1.B 1268 ? 1 -ATOM C CA SER 1.B 1 202 . -23.753 17.805 5.607 1.00 176.91 202 1.B 1269 ? 1 -ATOM C C SER 1.B 1 202 . -24.035 17.064 6.910 1.00 183.74 202 1.B 1270 ? 1 -ATOM O O SER 1.B 1 202 . -24.827 16.124 6.936 1.00 185.82 202 1.B 1271 ? 1 -ATOM C CB SER 1.B 1 202 . -22.937 16.917 4.668 1.00 175.26 202 1.B 1272 ? 1 -ATOM O OG SER 1.B 1 202 . -21.590 16.836 5.099 1.00 175.90 202 1.B 1273 ? 1 -ATOM N N ARG 1.B 1 203 . -23.383 17.490 7.988 1.00 194.55 203 1.B 1274 ? 1 -ATOM C CA ARG 1.B 1 203 . -23.598 16.889 9.300 1.00 198.75 203 1.B 1275 ? 1 -ATOM C C ARG 1.B 1 203 . -24.975 17.242 9.845 1.00 194.20 203 1.B 1276 ? 1 -ATOM O O ARG 1.B 1 203 . -25.330 16.854 10.957 1.00 193.99 203 1.B 1277 ? 1 -ATOM C CB ARG 1.B 1 203 . -22.532 17.360 10.291 1.00 202.17 203 1.B 1278 ? 1 -ATOM C CG ARG 1.B 1 203 . -21.190 16.665 10.167 1.00 207.55 203 1.B 1279 ? 1 -ATOM C CD ARG 1.B 1 203 . -20.234 17.164 11.237 1.00 211.40 203 1.B 1280 ? 1 -ATOM N NE ARG 1.B 1 203 . -18.971 16.433 11.237 1.00 219.19 203 1.B 1281 ? 1 -ATOM C CZ ARG 1.B 1 203 . -17.973 16.670 12.082 1.00 224.04 203 1.B 1282 ? 1 -ATOM N NH1 ARG 1.B 1 203 . -18.088 17.622 12.998 1.00 222.96 203 1.B 1283 ? 1 -ATOM N NH2 ARG 1.B 1 203 . -16.858 15.955 12.011 1.00 229.47 203 1.B 1284 ? 1 -ATOM N N GLY 1.B 1 204 . -25.748 17.982 9.060 1.00 187.63 204 1.B 1285 ? 1 -ATOM C CA GLY 1.B 1 204 . -27.015 18.496 9.536 1.00 184.92 204 1.B 1286 ? 1 -ATOM C C GLY 1.B 1 204 . -26.757 19.580 10.561 1.00 185.12 204 1.B 1287 ? 1 -ATOM O O GLY 1.B 1 204 . -27.648 19.963 11.318 1.00 185.28 204 1.B 1288 ? 1 -ATOM N N GLU 1.B 1 205 . -25.520 20.069 10.585 1.00 191.98 205 1.B 1289 ? 1 -ATOM C CA GLU 1.B 1 205 . -25.128 21.135 11.499 1.00 188.94 205 1.B 1290 ? 1 -ATOM C C GLU 1.B 1 205 . -25.586 22.495 10.992 1.00 177.14 205 1.B 1291 ? 1 -ATOM O O GLU 1.B 1 205 . -25.721 22.712 9.789 1.00 176.40 205 1.B 1292 ? 1 -ATOM C CB GLU 1.B 1 205 . -23.609 21.156 11.700 1.00 193.66 205 1.B 1293 ? 1 -ATOM C CG GLU 1.B 1 205 . -23.093 20.215 12.777 1.00 197.09 205 1.B 1294 ? 1 -ATOM C CD GLU 1.B 1 205 . -21.637 20.475 13.126 1.00 197.01 205 1.B 1295 ? 1 -ATOM O OE1 GLU 1.B 1 205 . -20.877 20.920 12.240 1.00 192.16 205 1.B 1296 ? 1 -ATOM O OE2 GLU 1.B 1 205 . -21.252 20.233 14.289 1.00 201.32 205 1.B 1297 ? 1 -ATOM N N ILE 1.B 1 206 . -25.823 23.409 11.923 1.00 157.58 206 1.B 1298 ? 1 -ATOM C CA ILE 1.B 1 206 . -26.161 24.776 11.576 1.00 146.07 206 1.B 1299 ? 1 -ATOM C C ILE 1.B 1 206 . -25.302 25.714 12.407 1.00 141.33 206 1.B 1300 ? 1 -ATOM O O ILE 1.B 1 206 . -25.300 25.639 13.635 1.00 143.72 206 1.B 1301 ? 1 -ATOM C CB ILE 1.B 1 206 . -27.639 25.071 11.841 1.00 144.42 206 1.B 1302 ? 1 -ATOM C CG1 ILE 1.B 1 206 . -28.519 24.044 11.127 1.00 145.32 206 1.B 1303 ? 1 -ATOM C CG2 ILE 1.B 1 206 . -27.985 26.481 11.394 1.00 143.09 206 1.B 1304 ? 1 -ATOM C CD1 ILE 1.B 1 206 . -29.994 24.219 11.397 1.00 147.11 206 1.B 1305 ? 1 -ATOM N N LYS 1.B 1 207 . -24.562 26.587 11.734 1.00 131.70 207 1.B 1306 ? 1 -ATOM C CA LYS 1.B 1 207 . -23.673 27.515 12.417 1.00 128.49 207 1.B 1307 ? 1 -ATOM C C LYS 1.B 1 207 . -23.783 28.902 11.795 1.00 123.90 207 1.B 1308 ? 1 -ATOM O O LYS 1.B 1 207 . -24.172 29.039 10.635 1.00 122.96 207 1.B 1309 ? 1 -ATOM C CB LYS 1.B 1 207 . -22.227 27.009 12.363 1.00 129.28 207 1.B 1310 ? 1 -ATOM C CG LYS 1.B 1 207 . -22.059 25.563 12.830 1.00 126.03 207 1.B 1311 ? 1 -ATOM C CD LYS 1.B 1 207 . -20.594 25.162 12.969 1.00 123.04 207 1.B 1312 ? 1 -ATOM C CE LYS 1.B 1 207 . -20.466 23.786 13.620 1.00 122.98 207 1.B 1313 ? 1 -ATOM N NZ LYS 1.B 1 207 . -19.064 23.432 13.996 1.00 124.43 207 1.B 1314 ? 1 -ATOM N N LEU 1.B 1 208 . -23.450 29.928 12.574 1.00 117.50 208 1.B 1315 ? 1 -ATOM C CA LEU 1.B 1 208 . -23.490 31.302 12.081 1.00 114.68 208 1.B 1316 ? 1 -ATOM C C LEU 1.B 1 208 . -22.097 31.799 11.710 1.00 121.08 208 1.B 1317 ? 1 -ATOM O O LEU 1.B 1 208 . -21.092 31.244 12.156 1.00 120.59 208 1.B 1318 ? 1 -ATOM C CB LEU 1.B 1 208 . -24.114 32.232 13.121 1.00 107.74 208 1.B 1319 ? 1 -ATOM C CG LEU 1.B 1 208 . -25.559 31.919 13.503 1.00 102.01 208 1.B 1320 ? 1 -ATOM C CD1 LEU 1.B 1 208 . -26.055 32.872 14.578 1.00 102.02 208 1.B 1321 ? 1 -ATOM C CD2 LEU 1.B 1 208 . -26.453 31.978 12.278 1.00 98.67 208 1.B 1322 ? 1 -ATOM N N CYS 1.B 1 209 . -22.048 32.848 10.893 1.00 136.20 209 1.B 1323 ? 1 -ATOM C CA CYS 1.B 1 209 . -20.782 33.429 10.458 1.00 140.25 209 1.B 1324 ? 1 -ATOM C C CYS 1.B 1 209 . -20.937 34.915 10.157 1.00 137.63 209 1.B 1325 ? 1 -ATOM O O CYS 1.B 1 209 . -22.006 35.490 10.355 1.00 131.13 209 1.B 1326 ? 1 -ATOM C CB CYS 1.B 1 209 . -20.256 32.704 9.218 1.00 140.59 209 1.B 1327 ? 1 -ATOM S SG CYS 1.B 1 209 . -21.218 32.998 7.715 1.00 195.58 209 1.B 1328 ? 1 -ATOM N N ASP 1.B 1 210 . -19.860 35.530 9.679 1.00 148.33 210 1.B 1329 ? 1 -ATOM C CA ASP 1.B 1 210 . -19.886 36.933 9.281 1.00 154.27 210 1.B 1330 ? 1 -ATOM C C ASP 1.B 1 210 . -20.406 37.853 10.382 1.00 155.05 210 1.B 1331 ? 1 -ATOM O O ASP 1.B 1 210 . -20.992 38.899 10.094 1.00 158.19 210 1.B 1332 ? 1 -ATOM C CB ASP 1.B 1 210 . -20.735 37.121 8.021 1.00 156.11 210 1.B 1333 ? 1 -ATOM C CG ASP 1.B 1 210 . -20.148 36.427 6.812 1.00 157.28 210 1.B 1334 ? 1 -ATOM O OD1 ASP 1.B 1 210 . -19.369 35.467 6.991 1.00 158.20 210 1.B 1335 ? 1 -ATOM O OD2 ASP 1.B 1 210 . -20.470 36.842 5.680 1.00 156.59 210 1.B 1336 ? 1 -ATOM N N PHE 1.B 1 211 . -20.198 37.468 11.637 1.00 137.38 211 1.B 1337 ? 1 -ATOM C CA PHE 1.B 1 211 . -20.619 38.311 12.751 1.00 137.88 211 1.B 1338 ? 1 -ATOM C C PHE 1.B 1 211 . -19.508 39.263 13.185 1.00 139.53 211 1.B 1339 ? 1 -ATOM O O PHE 1.B 1 211 . -18.366 38.850 13.395 1.00 138.45 211 1.B 1340 ? 1 -ATOM C CB PHE 1.B 1 211 . -21.114 37.470 13.929 1.00 141.56 211 1.B 1341 ? 1 -ATOM C CG PHE 1.B 1 211 . -20.114 36.469 14.431 1.00 145.56 211 1.B 1342 ? 1 -ATOM C CD1 PHE 1.B 1 211 . -19.969 35.241 13.806 1.00 145.98 211 1.B 1343 ? 1 -ATOM C CD2 PHE 1.B 1 211 . -19.331 36.748 15.538 1.00 149.21 211 1.B 1344 ? 1 -ATOM C CE1 PHE 1.B 1 211 . -19.057 34.316 14.269 1.00 149.52 211 1.B 1345 ? 1 -ATOM C CE2 PHE 1.B 1 211 . -18.417 35.827 16.006 1.00 152.94 211 1.B 1346 ? 1 -ATOM C CZ PHE 1.B 1 211 . -18.279 34.609 15.370 1.00 153.19 211 1.B 1347 ? 1 -ATOM N N GLY 1.B 1 212 . -19.857 40.540 13.311 1.00 154.98 212 1.B 1348 ? 1 -ATOM C CA GLY 1.B 1 212 . -18.897 41.582 13.630 1.00 158.64 212 1.B 1349 ? 1 -ATOM C C GLY 1.B 1 212 . -18.204 41.411 14.968 1.00 159.46 212 1.B 1350 ? 1 -ATOM O O GLY 1.B 1 212 . -18.834 41.512 16.023 1.00 160.70 212 1.B 1351 ? 1 -ATOM N N VAL 1.B 1 213 . -16.899 41.160 14.918 1.00 146.54 213 1.B 1352 ? 1 -ATOM C CA VAL 1.B 1 213 . -16.096 40.990 16.124 1.00 143.95 213 1.B 1353 ? 1 -ATOM C C VAL 1.B 1 213 . -14.928 41.978 16.164 1.00 145.96 213 1.B 1354 ? 1 -ATOM O O VAL 1.B 1 213 . -14.400 42.283 17.234 1.00 147.74 213 1.B 1355 ? 1 -ATOM C CB VAL 1.B 1 213 . -15.553 39.552 16.241 1.00 140.40 213 1.B 1356 ? 1 -ATOM C CG1 VAL 1.B 1 213 . -14.608 39.253 15.092 1.00 139.95 213 1.B 1357 ? 1 -ATOM C CG2 VAL 1.B 1 213 . -14.854 39.351 17.576 1.00 144.00 213 1.B 1358 ? 1 -ATOM N N SER 1.B 1 214 . -14.530 42.479 14.998 1.00 147.41 214 1.B 1359 ? 1 -ATOM C CA SER 1.B 1 214 . -13.419 43.424 14.920 1.00 152.89 214 1.B 1360 ? 1 -ATOM C C SER 1.B 1 214 . -13.894 44.867 14.801 1.00 151.36 214 1.B 1361 ? 1 -ATOM O O SER 1.B 1 214 . -14.304 45.309 13.729 1.00 144.29 214 1.B 1362 ? 1 -ATOM C CB SER 1.B 1 214 . -12.502 43.089 13.746 1.00 156.52 214 1.B 1363 ? 1 -ATOM O OG SER 1.B 1 214 . -11.458 44.041 13.646 1.00 162.46 214 1.B 1364 ? 1 -ATOM N N GLY 1.B 1 215 . -13.822 45.598 15.908 1.00 159.93 215 1.B 1365 ? 1 -ATOM C CA GLY 1.B 1 215 . -14.266 46.978 15.945 1.00 164.45 215 1.B 1366 ? 1 -ATOM C C GLY 1.B 1 215 . -13.549 47.873 14.953 1.00 171.34 215 1.B 1367 ? 1 -ATOM O O GLY 1.B 1 215 . -14.177 48.465 14.077 1.00 169.51 215 1.B 1368 ? 1 -ATOM N N GLN 1.B 1 216 . -12.230 47.968 15.088 1.00 189.15 216 1.B 1369 ? 1 -ATOM C CA GLN 1.B 1 216 . -11.436 48.872 14.259 1.00 196.90 216 1.B 1370 ? 1 -ATOM C C GLN 1.B 1 216 . -11.577 48.555 12.774 1.00 191.03 216 1.B 1371 ? 1 -ATOM O O GLN 1.B 1 216 . -11.492 49.446 11.928 1.00 189.92 216 1.B 1372 ? 1 -ATOM C CB GLN 1.B 1 216 . -9.964 48.830 14.680 1.00 206.70 216 1.B 1373 ? 1 -ATOM C CG GLN 1.B 1 216 . -9.127 49.996 14.171 1.00 211.99 216 1.B 1374 ? 1 -ATOM C CD GLN 1.B 1 216 . -8.645 49.798 12.748 1.00 212.15 216 1.B 1375 ? 1 -ATOM O OE1 GLN 1.B 1 216 . -8.789 48.718 12.176 1.00 210.46 216 1.B 1376 ? 1 -ATOM N NE2 GLN 1.B 1 216 . -8.063 50.842 12.171 1.00 213.82 216 1.B 1377 ? 1 -ATOM N N LEU 1.B 1 217 . -11.795 47.283 12.462 1.00 178.19 217 1.B 1378 ? 1 -ATOM C CA LEU 1.B 1 217 . -11.954 46.858 11.077 1.00 176.01 217 1.B 1379 ? 1 -ATOM C C LEU 1.B 1 217 . -13.181 47.488 10.425 1.00 177.88 217 1.B 1380 ? 1 -ATOM O O LEU 1.B 1 217 . -13.125 47.933 9.280 1.00 177.92 217 1.B 1381 ? 1 -ATOM C CB LEU 1.B 1 217 . -12.029 45.333 10.988 1.00 170.78 217 1.B 1382 ? 1 -ATOM C CG LEU 1.B 1 217 . -12.650 44.738 9.723 1.00 162.77 217 1.B 1383 ? 1 -ATOM C CD1 LEU 1.B 1 217 . -11.990 43.418 9.368 1.00 161.08 217 1.B 1384 ? 1 -ATOM C CD2 LEU 1.B 1 217 . -14.155 44.566 9.886 1.00 158.31 217 1.B 1385 ? 1 -ATOM N N ILE 1.B 1 218 . -14.287 47.522 11.162 1.00 184.04 218 1.B 1386 ? 1 -ATOM C CA ILE 1.B 1 218 . -15.541 48.055 10.640 1.00 181.89 218 1.B 1387 ? 1 -ATOM C C ILE 1.B 1 218 . -15.427 49.538 10.281 1.00 186.81 218 1.B 1388 ? 1 -ATOM O O ILE 1.B 1 218 . -16.274 50.077 9.569 1.00 187.39 218 1.B 1389 ? 1 -ATOM C CB ILE 1.B 1 218 . -16.699 47.849 11.636 1.00 178.66 218 1.B 1390 ? 1 -ATOM C CG1 ILE 1.B 1 218 . -16.678 46.423 12.192 1.00 172.98 218 1.B 1391 ? 1 -ATOM C CG2 ILE 1.B 1 218 . -18.036 48.140 10.971 1.00 177.39 218 1.B 1392 ? 1 -ATOM C CD1 ILE 1.B 1 218 . -17.722 46.164 13.258 1.00 169.18 218 1.B 1393 ? 1 -ATOM N N ASP 1.B 1 219 . -14.381 50.194 10.776 1.00 189.42 219 1.B 1394 ? 1 -ATOM C CA ASP 1.B 1 219 . -14.125 51.590 10.434 1.00 190.32 219 1.B 1395 ? 1 -ATOM C C ASP 1.B 1 219 . -13.870 51.737 8.937 1.00 189.20 219 1.B 1396 ? 1 -ATOM O O ASP 1.B 1 219 . -14.544 52.509 8.255 1.00 187.51 219 1.B 1397 ? 1 -ATOM C CB ASP 1.B 1 219 . -12.932 52.136 11.222 1.00 191.98 219 1.B 1398 ? 1 -ATOM C CG ASP 1.B 1 219 . -13.262 52.394 12.679 1.00 191.00 219 1.B 1399 ? 1 -ATOM O OD1 ASP 1.B 1 219 . -14.375 52.029 13.113 1.00 190.00 219 1.B 1400 ? 1 -ATOM O OD2 ASP 1.B 1 219 . -12.406 52.964 13.389 1.00 191.23 219 1.B 1401 ? 1 -ATOM N N SER 1.B 1 220 . -12.888 50.992 8.436 1.00 182.63 220 1.B 1402 ? 1 -ATOM C CA SER 1.B 1 220 . -12.576 50.987 7.012 1.00 183.20 220 1.B 1403 ? 1 -ATOM C C SER 1.B 1 220 . -13.625 50.180 6.258 1.00 181.66 220 1.B 1404 ? 1 -ATOM O O SER 1.B 1 220 . -13.829 50.365 5.057 1.00 175.98 220 1.B 1405 ? 1 -ATOM C CB SER 1.B 1 220 . -11.187 50.390 6.770 1.00 183.44 220 1.B 1406 ? 1 -ATOM O OG SER 1.B 1 220 . -10.193 51.076 7.511 1.00 185.04 220 1.B 1407 ? 1 -ATOM N N MET 1.B 1 221 . -14.292 49.287 6.981 1.00 200.15 221 1.B 1408 ? 1 -ATOM C CA MET 1.B 1 221 . -15.296 48.411 6.389 1.00 203.52 221 1.B 1409 ? 1 -ATOM C C MET 1.B 1 221 . -16.681 49.046 6.346 1.00 204.10 221 1.B 1410 ? 1 -ATOM O O MET 1.B 1 221 . -17.644 48.437 5.875 1.00 200.84 221 1.B 1411 ? 1 -ATOM C CB MET 1.B 1 221 . -15.329 47.066 7.111 1.00 204.01 221 1.B 1412 ? 1 -ATOM C CG MET 1.B 1 221 . -14.040 46.296 6.942 1.00 204.88 221 1.B 1413 ? 1 -ATOM S SD MET 1.B 1 221 . -13.344 46.610 5.311 1.00 184.75 221 1.B 1414 ? 1 -ATOM C CE MET 1.B 1 221 . -14.582 45.837 4.269 1.00 106.94 221 1.B 1415 ? 1 -ATOM N N ALA 1.B 1 222 . -16.777 50.270 6.848 1.00 211.27 222 1.B 1416 ? 1 -ATOM C CA ALA 1.B 1 222 . -17.939 51.094 6.576 1.00 209.08 222 1.B 1417 ? 1 -ATOM C C ALA 1.B 1 222 . -17.759 51.580 5.146 1.00 208.98 222 1.B 1418 ? 1 -ATOM O O ALA 1.B 1 222 . -16.715 51.336 4.535 1.00 213.23 222 1.B 1419 ? 1 -ATOM C CB ALA 1.B 1 222 . -18.006 52.260 7.540 1.00 208.99 222 1.B 1420 ? 1 -ATOM N N ASN 1.B 1 223 . -18.766 52.258 4.607 1.00 181.29 223 1.B 1421 ? 1 -ATOM C CA ASN 1.B 1 223 . -18.681 52.755 3.241 1.00 167.89 223 1.B 1422 ? 1 -ATOM C C ASN 1.B 1 223 . -18.586 51.597 2.254 1.00 158.97 223 1.B 1423 ? 1 -ATOM O O ASN 1.B 1 223 . -17.534 51.371 1.650 1.00 153.98 223 1.B 1424 ? 1 -ATOM C CB ASN 1.B 1 223 . -17.464 53.669 3.091 1.00 160.18 223 1.B 1425 ? 1 -ATOM C CG ASN 1.B 1 223 . -17.285 54.599 4.277 1.00 152.76 223 1.B 1426 ? 1 -ATOM O OD1 ASN 1.B 1 223 . -18.246 54.941 4.966 1.00 146.29 223 1.B 1427 ? 1 -ATOM N ND2 ASN 1.B 1 223 . -16.050 55.022 4.513 1.00 155.10 223 1.B 1428 ? 1 -ATOM N N SER 1.B 1 224 . -19.686 50.864 2.096 1.00 165.14 224 1.B 1429 ? 1 -ATOM C CA SER 1.B 1 224 . -19.688 49.677 1.246 1.00 161.30 224 1.B 1430 ? 1 -ATOM C C SER 1.B 1 224 . -21.058 49.333 0.659 1.00 152.12 224 1.B 1431 ? 1 -ATOM O O SER 1.B 1 224 . -22.022 50.082 0.813 1.00 145.64 224 1.B 1432 ? 1 -ATOM C CB SER 1.B 1 224 . -19.127 48.480 2.015 1.00 164.07 224 1.B 1433 ? 1 -ATOM O OG SER 1.B 1 224 . -17.807 48.743 2.459 1.00 168.17 224 1.B 1434 ? 1 -ATOM N N PHE 1.B 1 225 . -21.122 48.182 -0.008 1.00 147.96 225 1.B 1435 ? 1 -ATOM C CA PHE 1.B 1 225 . -22.306 47.749 -0.750 1.00 146.53 225 1.B 1436 ? 1 -ATOM C C PHE 1.B 1 225 . -23.607 47.825 0.046 1.00 145.37 225 1.B 1437 ? 1 -ATOM O O PHE 1.B 1 225 . -23.652 47.449 1.217 1.00 144.63 225 1.B 1438 ? 1 -ATOM C CB PHE 1.B 1 225 . -22.106 46.323 -1.271 1.00 143.44 225 1.B 1439 ? 1 -ATOM N N VAL 1.B 1 226 . -24.664 48.303 -0.607 1.00 145.56 226 1.B 1440 ? 1 -ATOM C CA VAL 1.B 1 226 . -25.979 48.402 0.018 1.00 146.64 226 1.B 1441 ? 1 -ATOM C C VAL 1.B 1 226 . -26.949 47.374 -0.551 1.00 160.65 226 1.B 1442 ? 1 -ATOM O O VAL 1.B 1 226 . -27.475 46.533 0.181 1.00 166.68 226 1.B 1443 ? 1 -ATOM C CB VAL 1.B 1 226 . -26.590 49.799 -0.156 1.00 137.24 226 1.B 1444 ? 1 -ATOM C CG1 VAL 1.B 1 226 . -28.026 49.804 0.336 1.00 132.31 226 1.B 1445 ? 1 -ATOM C CG2 VAL 1.B 1 226 . -25.765 50.833 0.590 1.00 137.33 226 1.B 1446 ? 1 -ATOM N N GLY 1.B 1 227 . -27.194 47.451 -1.855 1.00 174.70 227 1.B 1447 ? 1 -ATOM C CA GLY 1.B 1 227 . -28.044 46.480 -2.520 1.00 176.49 227 1.B 1448 ? 1 -ATOM C C GLY 1.B 1 227 . -29.522 46.821 -2.482 1.00 173.54 227 1.B 1449 ? 1 -ATOM O O GLY 1.B 1 227 . -29.904 47.948 -2.166 1.00 173.28 227 1.B 1450 ? 1 -ATOM N N THR 1.B 1 228 . -30.355 45.834 -2.795 1.00 163.47 228 1.B 1451 ? 1 -ATOM C CA THR 1.B 1 228 . -31.790 46.055 -2.935 1.00 166.69 228 1.B 1452 ? 1 -ATOM C C THR 1.B 1 228 . -32.623 45.294 -1.904 1.00 165.71 228 1.B 1453 ? 1 -ATOM O O THR 1.B 1 228 . -33.851 45.390 -1.892 1.00 165.32 228 1.B 1454 ? 1 -ATOM C CB THR 1.B 1 228 . -32.269 45.662 -4.342 1.00 170.36 228 1.B 1455 ? 1 -ATOM O OG1 THR 1.B 1 228 . -33.699 45.730 -4.399 1.00 172.56 228 1.B 1456 ? 1 -ATOM C CG2 THR 1.B 1 228 . -31.817 44.249 -4.679 1.00 169.17 228 1.B 1457 ? 1 -ATOM N N ARG 1.B 1 229 . -31.953 44.535 -1.044 1.00 167.88 229 1.B 1458 ? 1 -ATOM C CA ARG 1.B 1 229 . -32.634 43.792 0.010 1.00 162.02 229 1.B 1459 ? 1 -ATOM C C ARG 1.B 1 229 . -32.020 44.119 1.362 1.00 156.97 229 1.B 1460 ? 1 -ATOM O O ARG 1.B 1 229 . -30.821 43.926 1.568 1.00 160.34 229 1.B 1461 ? 1 -ATOM C CB ARG 1.B 1 229 . -32.535 42.293 -0.245 1.00 160.90 229 1.B 1462 ? 1 -ATOM C CG ARG 1.B 1 229 . -33.154 41.838 -1.548 1.00 163.77 229 1.B 1463 ? 1 -ATOM C CD ARG 1.B 1 229 . -32.576 40.498 -1.937 1.00 166.62 229 1.B 1464 ? 1 -ATOM N NE ARG 1.B 1 229 . -32.499 39.605 -0.785 1.00 167.78 229 1.B 1465 ? 1 -ATOM C CZ ARG 1.B 1 229 . -31.610 38.627 -0.657 1.00 170.71 229 1.B 1466 ? 1 -ATOM N NH1 ARG 1.B 1 229 . -30.711 38.417 -1.609 1.00 173.08 229 1.B 1467 ? 1 -ATOM N NH2 ARG 1.B 1 229 . -31.615 37.864 0.427 1.00 171.04 229 1.B 1468 ? 1 -ATOM N N SER 1.B 1 230 . -32.843 44.605 2.284 1.00 135.91 230 1.B 1469 ? 1 -ATOM C CA SER 1.B 1 230 . -32.342 45.059 3.574 1.00 127.04 230 1.B 1470 ? 1 -ATOM C C SER 1.B 1 230 . -32.693 44.107 4.712 1.00 121.93 230 1.B 1471 ? 1 -ATOM O O SER 1.B 1 230 . -33.517 43.205 4.558 1.00 121.84 230 1.B 1472 ? 1 -ATOM C CB SER 1.B 1 230 . -32.865 46.461 3.887 1.00 128.42 230 1.B 1473 ? 1 -ATOM O OG SER 1.B 1 230 . -32.125 47.053 4.939 1.00 130.79 230 1.B 1474 ? 1 -ATOM N N TYR 1.B 1 231 . -32.050 44.321 5.855 1.00 118.80 231 1.B 1475 ? 1 -ATOM C CA TYR 1.B 1 231 . -32.302 43.536 7.055 1.00 108.25 231 1.B 1476 ? 1 -ATOM C C TYR 1.B 1 231 . -32.156 44.430 8.280 1.00 97.39 231 1.B 1477 ? 1 -ATOM O O TYR 1.B 1 231 . -32.259 43.978 9.418 1.00 92.09 231 1.B 1478 ? 1 -ATOM C CB TYR 1.B 1 231 . -31.336 42.354 7.136 1.00 112.02 231 1.B 1479 ? 1 -ATOM C CG TYR 1.B 1 231 . -31.571 41.297 6.078 1.00 117.76 231 1.B 1480 ? 1 -ATOM C CD1 TYR 1.B 1 231 . -32.466 40.260 6.295 1.00 120.21 231 1.B 1481 ? 1 -ATOM C CD2 TYR 1.B 1 231 . -30.895 41.335 4.867 1.00 125.44 231 1.B 1482 ? 1 -ATOM C CE1 TYR 1.B 1 231 . -32.683 39.289 5.335 1.00 124.93 231 1.B 1483 ? 1 -ATOM C CE2 TYR 1.B 1 231 . -31.107 40.369 3.899 1.00 130.49 231 1.B 1484 ? 1 -ATOM C CZ TYR 1.B 1 231 . -32.002 39.347 4.139 1.00 129.44 231 1.B 1485 ? 1 -ATOM O OH TYR 1.B 1 231 . -32.217 38.381 3.181 1.00 128.51 231 1.B 1486 ? 1 -ATOM N N MET 1.B 1 232 . -31.902 45.708 8.032 1.00 107.89 232 1.B 1487 ? 1 -ATOM C CA MET 1.B 1 232 . -31.858 46.696 9.095 1.00 114.31 232 1.B 1488 ? 1 -ATOM C C MET 1.B 1 232 . -33.187 46.697 9.834 1.00 112.75 232 1.B 1489 ? 1 -ATOM O O MET 1.B 1 232 . -34.244 46.873 9.227 1.00 112.63 232 1.B 1490 ? 1 -ATOM C CB MET 1.B 1 232 . -31.602 48.090 8.517 1.00 123.30 232 1.B 1491 ? 1 -ATOM C CG MET 1.B 1 232 . -30.218 48.293 7.932 1.00 126.09 232 1.B 1492 ? 1 -ATOM S SD MET 1.B 1 232 . -29.008 48.784 9.171 1.00 140.05 232 1.B 1493 ? 1 -ATOM C CE MET 1.B 1 232 . -27.491 48.618 8.233 1.00 596.26 232 1.B 1494 ? 1 -ATOM N N SER 1.B 1 233 . -33.137 46.495 11.144 1.00 97.13 233 1.B 1495 ? 1 -ATOM C CA SER 1.B 1 233 . -34.337 46.615 11.954 1.00 96.82 233 1.B 1496 ? 1 -ATOM C C SER 1.B 1 233 . -34.831 48.059 11.935 1.00 95.50 233 1.B 1497 ? 1 -ATOM O O SER 1.B 1 233 . -34.037 48.999 11.962 1.00 98.27 233 1.B 1498 ? 1 -ATOM C CB SER 1.B 1 233 . -34.087 46.129 13.384 1.00 99.96 233 1.B 1499 ? 1 -ATOM O OG SER 1.B 1 233 . -32.902 46.688 13.921 1.00 104.92 233 1.B 1500 ? 1 -ATOM N N PRO 1.B 1 234 . -36.155 48.228 11.879 1.00 96.27 234 1.B 1501 ? 1 -ATOM C CA PRO 1.B 1 234 . -36.855 49.511 11.770 1.00 106.17 234 1.B 1502 ? 1 -ATOM C C PRO 1.B 1 234 . -36.342 50.546 12.757 1.00 109.55 234 1.B 1503 ? 1 -ATOM O O PRO 1.B 1 234 . -36.366 51.737 12.461 1.00 104.51 234 1.B 1504 ? 1 -ATOM C CB PRO 1.B 1 234 . -38.296 49.146 12.115 1.00 107.58 234 1.B 1505 ? 1 -ATOM C CG PRO 1.B 1 234 . -38.419 47.718 11.713 1.00 105.51 234 1.B 1506 ? 1 -ATOM C CD PRO 1.B 1 234 . -37.088 47.094 11.978 1.00 94.63 234 1.B 1507 ? 1 -ATOM N N GLU 1.B 1 235 . -35.891 50.098 13.923 1.00 111.40 235 1.B 1508 ? 1 -ATOM C CA GLU 1.B 1 235 . -35.390 51.026 14.923 1.00 114.76 235 1.B 1509 ? 1 -ATOM C C GLU 1.B 1 235 . -34.072 51.636 14.471 1.00 115.48 235 1.B 1510 ? 1 -ATOM O O GLU 1.B 1 235 . -33.841 52.832 14.652 1.00 121.07 235 1.B 1511 ? 1 -ATOM C CB GLU 1.B 1 235 . -35.234 50.350 16.287 1.00 114.94 235 1.B 1512 ? 1 -ATOM C CG GLU 1.B 1 235 . -34.188 49.252 16.345 1.00 112.75 235 1.B 1513 ? 1 -ATOM C CD GLU 1.B 1 235 . -34.777 47.882 16.113 1.00 111.33 235 1.B 1514 ? 1 -ATOM O OE1 GLU 1.B 1 235 . -35.955 47.807 15.709 1.00 113.40 235 1.B 1515 ? 1 -ATOM O OE2 GLU 1.B 1 235 . -34.065 46.881 16.339 1.00 108.48 235 1.B 1516 ? 1 -ATOM N N ARG 1.B 1 236 . -33.216 50.811 13.873 1.00 107.24 236 1.B 1517 ? 1 -ATOM C CA ARG 1.B 1 236 . -31.919 51.273 13.392 1.00 107.31 236 1.B 1518 ? 1 -ATOM C C ARG 1.B 1 236 . -32.071 52.363 12.347 1.00 112.61 236 1.B 1519 ? 1 -ATOM O O ARG 1.B 1 236 . -31.465 53.431 12.453 1.00 116.96 236 1.B 1520 ? 1 -ATOM C CB ARG 1.B 1 236 . -31.125 50.119 12.795 1.00 105.36 236 1.B 1521 ? 1 -ATOM C CG ARG 1.B 1 236 . -30.832 49.005 13.768 1.00 114.31 236 1.B 1522 ? 1 -ATOM C CD ARG 1.B 1 236 . -29.710 48.132 13.247 1.00 119.60 236 1.B 1523 ? 1 -ATOM N NE ARG 1.B 1 236 . -28.441 48.851 13.212 1.00 123.85 236 1.B 1524 ? 1 -ATOM C CZ ARG 1.B 1 236 . -27.307 48.332 12.759 1.00 124.25 236 1.B 1525 ? 1 -ATOM N NH1 ARG 1.B 1 236 . -27.285 47.089 12.296 1.00 119.66 236 1.B 1526 ? 1 -ATOM N NH2 ARG 1.B 1 236 . -26.195 49.054 12.767 1.00 127.98 236 1.B 1527 ? 1 -ATOM N N LEU 1.B 1 237 . -32.877 52.088 11.329 1.00 107.99 237 1.B 1528 ? 1 -ATOM C CA LEU 1.B 1 237 . -33.065 53.045 10.255 1.00 110.68 237 1.B 1529 ? 1 -ATOM C C LEU 1.B 1 237 . -33.381 54.414 10.831 1.00 108.67 237 1.B 1530 ? 1 -ATOM O O LEU 1.B 1 237 . -33.114 55.433 10.207 1.00 110.93 237 1.B 1531 ? 1 -ATOM C CB LEU 1.B 1 237 . -34.170 52.581 9.311 1.00 103.43 237 1.B 1532 ? 1 -ATOM C CG LEU 1.B 1 237 . -33.890 51.206 8.696 1.00 111.01 237 1.B 1533 ? 1 -ATOM C CD1 LEU 1.B 1 237 . -35.006 50.787 7.760 1.00 110.90 237 1.B 1534 ? 1 -ATOM C CD2 LEU 1.B 1 237 . -32.556 51.204 7.966 1.00 108.19 237 1.B 1535 ? 1 -ATOM N N GLN 1.B 1 238 . -33.926 54.431 12.042 1.00 132.17 238 1.B 1536 ? 1 -ATOM C CA GLN 1.B 1 238 . -34.340 55.679 12.671 1.00 134.87 238 1.B 1537 ? 1 -ATOM C C GLN 1.B 1 238 . -33.283 56.270 13.608 1.00 132.03 238 1.B 1538 ? 1 -ATOM O O GLN 1.B 1 238 . -33.241 57.482 13.816 1.00 135.87 238 1.B 1539 ? 1 -ATOM C CB GLN 1.B 1 238 . -35.669 55.481 13.401 1.00 135.13 238 1.B 1540 ? 1 -ATOM C CG GLN 1.B 1 238 . -36.685 54.707 12.577 1.00 129.41 238 1.B 1541 ? 1 -ATOM C CD GLN 1.B 1 238 . -38.030 54.588 13.256 1.00 126.43 238 1.B 1542 ? 1 -ATOM O OE1 GLN 1.B 1 238 . -38.640 55.589 13.631 1.00 128.15 238 1.B 1543 ? 1 -ATOM N NE2 GLN 1.B 1 238 . -38.507 53.358 13.408 1.00 121.01 238 1.B 1544 ? 1 -ATOM N N GLY 1.B 1 239 . -32.431 55.419 14.170 1.00 119.97 239 1.B 1545 ? 1 -ATOM C CA GLY 1.B 1 239 . -31.356 55.897 15.022 1.00 124.16 239 1.B 1546 ? 1 -ATOM C C GLY 1.B 1 239 . -31.160 55.124 16.312 1.00 129.71 239 1.B 1547 ? 1 -ATOM O O GLY 1.B 1 239 . -30.050 55.058 16.840 1.00 131.64 239 1.B 1548 ? 1 -ATOM N N THR 1.B 1 240 . -32.235 54.539 16.827 1.00 282.52 240 1.B 1549 ? 1 -ATOM C CA THR 1.B 1 240 . -32.158 53.820 18.091 1.00 281.77 240 1.B 1550 ? 1 -ATOM C C THR 1.B 1 240 . -30.999 52.829 18.077 1.00 279.40 240 1.B 1551 ? 1 -ATOM O O THR 1.B 1 240 . -30.791 52.116 17.095 1.00 278.37 240 1.B 1552 ? 1 -ATOM C CB THR 1.B 1 240 . -33.462 53.060 18.397 1.00 284.36 240 1.B 1553 ? 1 -ATOM O OG1 THR 1.B 1 240 . -33.316 51.683 18.029 1.00 283.39 240 1.B 1554 ? 1 -ATOM C CG2 THR 1.B 1 240 . -34.633 53.672 17.642 1.00 289.46 240 1.B 1555 ? 1 -ATOM N N HIS 1.B 1 241 . -30.238 52.804 19.165 1.00 285.69 241 1.B 1556 ? 1 -ATOM C CA HIS 1.B 1 241 . -29.170 51.828 19.339 1.00 286.27 241 1.B 1557 ? 1 -ATOM C C HIS 1.B 1 241 . -29.689 50.441 18.980 1.00 286.75 241 1.B 1558 ? 1 -ATOM O O HIS 1.B 1 241 . -30.803 50.075 19.355 1.00 289.05 241 1.B 1559 ? 1 -ATOM C CB HIS 1.B 1 241 . -28.705 51.833 20.791 1.00 286.95 241 1.B 1560 ? 1 -ATOM C CG HIS 1.B 1 241 . -29.814 51.601 21.770 1.00 293.39 241 1.B 1561 ? 1 -ATOM N ND1 HIS 1.B 1 241 . -30.663 52.604 22.182 1.00 298.43 241 1.B 1562 ? 1 -ATOM C CD2 HIS 1.B 1 241 . -30.224 50.477 22.403 1.00 295.14 241 1.B 1563 ? 1 -ATOM C CE1 HIS 1.B 1 241 . -31.545 52.111 23.033 1.00 300.72 241 1.B 1564 ? 1 -ATOM N NE2 HIS 1.B 1 241 . -31.300 50.821 23.184 1.00 299.00 241 1.B 1565 ? 1 -ATOM N N TYR 1.B 1 242 . -28.888 49.669 18.254 1.00 282.73 242 1.B 1566 ? 1 -ATOM C CA TYR 1.B 1 242 . -29.305 48.331 17.845 1.00 281.25 242 1.B 1567 ? 1 -ATOM C C TYR 1.B 1 242 . -28.983 47.274 18.899 1.00 276.07 242 1.B 1568 ? 1 -ATOM O O TYR 1.B 1 242 . -27.871 46.753 18.954 1.00 277.06 242 1.B 1569 ? 1 -ATOM C CB TYR 1.B 1 242 . -28.698 47.951 16.488 1.00 282.27 242 1.B 1570 ? 1 -ATOM C CG TYR 1.B 1 242 . -27.193 48.072 16.407 1.00 279.18 242 1.B 1571 ? 1 -ATOM C CD1 TYR 1.B 1 242 . -26.583 49.311 16.262 1.00 278.66 242 1.B 1572 ? 1 -ATOM C CD2 TYR 1.B 1 242 . -26.382 46.945 16.456 1.00 277.53 242 1.B 1573 ? 1 -ATOM C CE1 TYR 1.B 1 242 . -25.210 49.426 16.181 1.00 277.20 242 1.B 1574 ? 1 -ATOM C CE2 TYR 1.B 1 242 . -25.007 47.051 16.376 1.00 275.27 242 1.B 1575 ? 1 -ATOM C CZ TYR 1.B 1 242 . -24.426 48.293 16.238 1.00 275.76 242 1.B 1576 ? 1 -ATOM O OH TYR 1.B 1 242 . -23.057 48.404 16.157 1.00 275.18 242 1.B 1577 ? 1 -ATOM N N SER 1.B 1 243 . -29.968 46.968 19.736 1.00 260.39 243 1.B 1578 ? 1 -ATOM C CA SER 1.B 1 243 . -29.821 45.939 20.755 1.00 255.13 243 1.B 1579 ? 1 -ATOM C C SER 1.B 1 243 . -29.689 44.574 20.097 1.00 256.59 243 1.B 1580 ? 1 -ATOM O O SER 1.B 1 243 . -29.768 44.458 18.875 1.00 258.76 243 1.B 1581 ? 1 -ATOM C CB SER 1.B 1 243 . -31.035 45.941 21.682 1.00 257.72 243 1.B 1582 ? 1 -ATOM O OG SER 1.B 1 243 . -32.216 45.621 20.965 1.00 261.52 243 1.B 1583 ? 1 -ATOM N N VAL 1.B 1 244 . -29.494 43.539 20.906 1.00 257.74 244 1.B 1584 ? 1 -ATOM C CA VAL 1.B 1 244 . -29.440 42.182 20.383 1.00 265.96 244 1.B 1585 ? 1 -ATOM C C VAL 1.B 1 244 . -30.784 41.834 19.755 1.00 279.54 244 1.B 1586 ? 1 -ATOM O O VAL 1.B 1 244 . -30.903 40.861 19.012 1.00 281.87 244 1.B 1587 ? 1 -ATOM C CB VAL 1.B 1 244 . -29.096 41.155 21.479 1.00 265.40 244 1.B 1588 ? 1 -ATOM C CG1 VAL 1.B 1 244 . -30.246 41.025 22.467 1.00 269.23 244 1.B 1589 ? 1 -ATOM C CG2 VAL 1.B 1 244 . -28.765 39.805 20.858 1.00 267.18 244 1.B 1590 ? 1 -ATOM N N GLN 1.B 1 245 . -31.795 42.645 20.056 1.00 170.12 245 1.B 1591 ? 1 -ATOM C CA GLN 1.B 1 245 . -33.126 42.457 19.495 1.00 172.40 245 1.B 1592 ? 1 -ATOM C C GLN 1.B 1 245 . -33.145 42.865 18.026 1.00 170.40 245 1.B 1593 ? 1 -ATOM O O GLN 1.B 1 245 . -34.030 42.463 17.268 1.00 167.24 245 1.B 1594 ? 1 -ATOM C CB GLN 1.B 1 245 . -34.164 43.258 20.284 1.00 178.43 245 1.B 1595 ? 1 -ATOM C CG GLN 1.B 1 245 . -34.118 43.021 21.784 1.00 179.99 245 1.B 1596 ? 1 -ATOM C CD GLN 1.B 1 245 . -35.368 43.507 22.488 1.00 182.68 245 1.B 1597 ? 1 -ATOM O OE1 GLN 1.B 1 245 . -36.482 43.285 22.019 1.00 179.68 245 1.B 1598 ? 1 -ATOM N NE2 GLN 1.B 1 245 . -35.190 44.168 23.625 1.00 188.95 245 1.B 1599 ? 1 -ATOM N N SER 1.B 1 246 . -32.164 43.671 17.632 1.00 151.02 246 1.B 1600 ? 1 -ATOM C CA SER 1.B 1 246 . -32.008 44.059 16.237 1.00 143.72 246 1.B 1601 ? 1 -ATOM C C SER 1.B 1 246 . -31.756 42.819 15.393 1.00 132.18 246 1.B 1602 ? 1 -ATOM O O SER 1.B 1 246 . -32.374 42.628 14.350 1.00 131.40 246 1.B 1603 ? 1 -ATOM C CB SER 1.B 1 246 . -30.852 45.046 16.081 1.00 149.03 246 1.B 1604 ? 1 -ATOM O OG SER 1.B 1 246 . -30.674 45.413 14.725 1.00 149.96 246 1.B 1605 ? 1 -ATOM N N ASP 1.B 1 247 . -30.844 41.974 15.858 1.00 123.17 247 1.B 1606 ? 1 -ATOM C CA ASP 1.B 1 247 . -30.532 40.731 15.167 1.00 119.61 247 1.B 1607 ? 1 -ATOM C C ASP 1.B 1 247 . -31.755 39.824 15.143 1.00 115.13 247 1.B 1608 ? 1 -ATOM O O ASP 1.B 1 247 . -31.914 39.002 14.243 1.00 110.51 247 1.B 1609 ? 1 -ATOM C CB ASP 1.B 1 247 . -29.359 40.018 15.845 1.00 121.39 247 1.B 1610 ? 1 -ATOM C CG ASP 1.B 1 247 . -28.140 40.910 15.998 1.00 127.86 247 1.B 1611 ? 1 -ATOM O OD1 ASP 1.B 1 247 . -28.103 41.989 15.367 1.00 130.71 247 1.B 1612 ? 1 -ATOM O OD2 ASP 1.B 1 247 . -27.219 40.531 16.752 1.00 128.33 247 1.B 1613 ? 1 -ATOM N N ILE 1.B 1 248 . -32.618 39.979 16.142 1.00 133.76 248 1.B 1614 ? 1 -ATOM C CA ILE 1.B 1 248 . -33.841 39.189 16.222 1.00 136.63 248 1.B 1615 ? 1 -ATOM C C ILE 1.B 1 248 . -34.771 39.529 15.067 1.00 129.37 248 1.B 1616 ? 1 -ATOM O O ILE 1.B 1 248 . -35.318 38.641 14.416 1.00 123.59 248 1.B 1617 ? 1 -ATOM C CB ILE 1.B 1 248 . -34.570 39.411 17.560 1.00 145.05 248 1.B 1618 ? 1 -ATOM C CG1 ILE 1.B 1 248 . -33.794 38.743 18.697 1.00 145.68 248 1.B 1619 ? 1 -ATOM C CG2 ILE 1.B 1 248 . -35.990 38.871 17.490 1.00 142.09 248 1.B 1620 ? 1 -ATOM C CD1 ILE 1.B 1 248 . -34.342 39.039 20.072 1.00 148.55 248 1.B 1621 ? 1 -ATOM N N TRP 1.B 1 249 . -34.945 40.822 14.820 1.00 114.84 249 1.B 1622 ? 1 -ATOM C CA TRP 1.B 1 249 . -35.720 41.286 13.680 1.00 114.19 249 1.B 1623 ? 1 -ATOM C C TRP 1.B 1 249 . -35.168 40.682 12.399 1.00 110.35 249 1.B 1624 ? 1 -ATOM O O TRP 1.B 1 249 . -35.917 40.150 11.578 1.00 105.44 249 1.B 1625 ? 1 -ATOM C CB TRP 1.B 1 249 . -35.673 42.808 13.589 1.00 123.54 249 1.B 1626 ? 1 -ATOM C CG TRP 1.B 1 249 . -36.107 43.330 12.262 1.00 128.95 249 1.B 1627 ? 1 -ATOM C CD1 TRP 1.B 1 249 . -35.327 43.517 11.158 1.00 133.30 249 1.B 1628 ? 1 -ATOM C CD2 TRP 1.B 1 249 . -37.426 43.734 11.891 1.00 131.76 249 1.B 1629 ? 1 -ATOM N NE1 TRP 1.B 1 249 . -36.080 44.013 10.124 1.00 134.49 249 1.B 1630 ? 1 -ATOM C CE2 TRP 1.B 1 249 . -37.377 44.156 10.550 1.00 133.20 249 1.B 1631 ? 1 -ATOM C CE3 TRP 1.B 1 249 . -38.651 43.782 12.566 1.00 133.36 249 1.B 1632 ? 1 -ATOM C CZ2 TRP 1.B 1 249 . -38.497 44.619 9.869 1.00 134.41 249 1.B 1633 ? 1 -ATOM C CZ3 TRP 1.B 1 249 . -39.764 44.242 11.889 1.00 132.44 249 1.B 1634 ? 1 -ATOM C CH2 TRP 1.B 1 249 . -39.680 44.654 10.555 1.00 132.99 249 1.B 1635 ? 1 -ATOM N N SER 1.B 1 250 . -33.852 40.780 12.231 1.00 113.30 250 1.B 1636 ? 1 -ATOM C CA SER 1.B 1 250 . -33.179 40.166 11.097 1.00 105.16 250 1.B 1637 ? 1 -ATOM C C SER 1.B 1 250 . -33.596 38.710 11.005 1.00 98.75 250 1.B 1638 ? 1 -ATOM O O SER 1.B 1 250 . -34.216 38.302 10.027 1.00 97.98 250 1.B 1639 ? 1 -ATOM C CB SER 1.B 1 250 . -31.661 40.272 11.237 1.00 105.25 250 1.B 1640 ? 1 -ATOM O OG SER 1.B 1 250 . -31.229 41.617 11.125 1.00 103.67 250 1.B 1641 ? 1 -ATOM N N MET 1.B 1 251 . -33.269 37.932 12.033 1.00 100.70 251 1.B 1642 ? 1 -ATOM C CA MET 1.B 1 251 . -33.650 36.526 12.059 1.00 101.11 251 1.B 1643 ? 1 -ATOM C C MET 1.B 1 251 . -35.097 36.374 11.628 1.00 96.24 251 1.B 1644 ? 1 -ATOM O O MET 1.B 1 251 . -35.408 35.607 10.722 1.00 96.76 251 1.B 1645 ? 1 -ATOM C CB MET 1.B 1 251 . -33.468 35.917 13.451 1.00 106.97 251 1.B 1646 ? 1 -ATOM C CG MET 1.B 1 251 . -33.752 34.413 13.486 1.00 106.41 251 1.B 1647 ? 1 -ATOM S SD MET 1.B 1 251 . -33.854 33.683 15.134 1.00 165.87 251 1.B 1648 ? 1 -ATOM C CE MET 1.B 1 251 . -35.365 34.422 15.744 1.00 154.00 251 1.B 1649 ? 1 -ATOM N N GLY 1.B 1 252 . -35.982 37.112 12.284 1.00 90.73 252 1.B 1650 ? 1 -ATOM C CA GLY 1.B 1 252 . -37.394 37.035 11.970 1.00 94.02 252 1.B 1651 ? 1 -ATOM C C GLY 1.B 1 252 . -37.633 37.249 10.492 1.00 97.57 252 1.B 1652 ? 1 -ATOM O O GLY 1.B 1 252 . -38.271 36.433 9.824 1.00 96.29 252 1.B 1653 ? 1 -ATOM N N LEU 1.B 1 253 . -37.103 38.351 9.979 1.00 108.42 253 1.B 1654 ? 1 -ATOM C CA LEU 1.B 1 253 . -37.282 38.701 8.580 1.00 109.62 253 1.B 1655 ? 1 -ATOM C C LEU 1.B 1 253 . -36.727 37.615 7.673 1.00 105.93 253 1.B 1656 ? 1 -ATOM O O LEU 1.B 1 253 . -37.384 37.190 6.723 1.00 101.73 253 1.B 1657 ? 1 -ATOM C CB LEU 1.B 1 253 . -36.596 40.029 8.281 1.00 115.13 253 1.B 1658 ? 1 -ATOM C CG LEU 1.B 1 253 . -36.942 40.605 6.914 1.00 116.87 253 1.B 1659 ? 1 -ATOM C CD1 LEU 1.B 1 253 . -38.436 40.486 6.674 1.00 110.84 253 1.B 1660 ? 1 -ATOM C CD2 LEU 1.B 1 253 . -36.485 42.049 6.823 1.00 124.51 253 1.B 1661 ? 1 -ATOM N N SER 1.B 1 254 . -35.513 37.172 7.978 1.00 106.81 254 1.B 1662 ? 1 -ATOM C CA SER 1.B 1 254 . -34.860 36.125 7.209 1.00 112.85 254 1.B 1663 ? 1 -ATOM C C SER 1.B 1 254 . -35.716 34.870 7.189 1.00 118.03 254 1.B 1664 ? 1 -ATOM O O SER 1.B 1 254 . -35.928 34.278 6.137 1.00 125.86 254 1.B 1665 ? 1 -ATOM C CB SER 1.B 1 254 . -33.482 35.811 7.791 1.00 117.51 254 1.B 1666 ? 1 -ATOM O OG SER 1.B 1 254 . -32.566 36.863 7.537 1.00 126.64 254 1.B 1667 ? 1 -ATOM N N LEU 1.B 1 255 . -36.211 34.474 8.356 1.00 121.17 255 1.B 1668 ? 1 -ATOM C CA LEU 1.B 1 255 . -37.067 33.299 8.465 1.00 119.60 255 1.B 1669 ? 1 -ATOM C C LEU 1.B 1 255 . -38.215 33.361 7.466 1.00 118.26 255 1.B 1670 ? 1 -ATOM O O LEU 1.B 1 255 . -38.462 32.406 6.730 1.00 117.76 255 1.B 1671 ? 1 -ATOM C CB LEU 1.B 1 255 . -37.609 33.161 9.887 1.00 117.44 255 1.B 1672 ? 1 -ATOM C CG LEU 1.B 1 255 . -36.635 32.544 10.889 1.00 115.66 255 1.B 1673 ? 1 -ATOM C CD1 LEU 1.B 1 255 . -37.020 32.892 12.318 1.00 115.30 255 1.B 1674 ? 1 -ATOM C CD2 LEU 1.B 1 255 . -36.577 31.039 10.688 1.00 115.37 255 1.B 1675 ? 1 -ATOM N N VAL 1.B 1 256 . -38.911 34.492 7.440 1.00 108.68 256 1.B 1676 ? 1 -ATOM C CA VAL 1.B 1 256 . -40.023 34.675 6.518 1.00 110.04 256 1.B 1677 ? 1 -ATOM C C VAL 1.B 1 256 . -39.578 34.412 5.083 1.00 115.84 256 1.B 1678 ? 1 -ATOM O O VAL 1.B 1 256 . -40.185 33.611 4.370 1.00 115.61 256 1.B 1679 ? 1 -ATOM C CB VAL 1.B 1 256 . -40.616 36.086 6.626 1.00 107.68 256 1.B 1680 ? 1 -ATOM C CG1 VAL 1.B 1 256 . -41.798 36.238 5.675 1.00 103.46 256 1.B 1681 ? 1 -ATOM C CG2 VAL 1.B 1 256 . -41.031 36.369 8.065 1.00 107.19 256 1.B 1682 ? 1 -ATOM N N GLU 1.B 1 257 . -38.509 35.084 4.669 1.00 126.04 257 1.B 1683 ? 1 -ATOM C CA GLU 1.B 1 257 . -37.935 34.877 3.347 1.00 128.89 257 1.B 1684 ? 1 -ATOM C C GLU 1.B 1 257 . -37.679 33.390 3.087 1.00 130.28 257 1.B 1685 ? 1 -ATOM O O GLU 1.B 1 257 . -37.807 32.919 1.959 1.00 130.87 257 1.B 1686 ? 1 -ATOM C CB GLU 1.B 1 257 . -36.634 35.671 3.208 1.00 133.88 257 1.B 1687 ? 1 -ATOM C CG GLU 1.B 1 257 . -36.090 35.756 1.789 1.00 141.41 257 1.B 1688 ? 1 -ATOM C CD GLU 1.B 1 257 . -34.735 36.443 1.722 1.00 146.88 257 1.B 1689 ? 1 -ATOM O OE1 GLU 1.B 1 257 . -33.843 36.081 2.519 1.00 145.20 257 1.B 1690 ? 1 -ATOM O OE2 GLU 1.B 1 257 . -34.564 37.349 0.877 1.00 151.47 257 1.B 1691 ? 1 -ATOM N N MET 1.B 1 258 . -37.325 32.656 4.140 1.00 138.86 258 1.B 1692 ? 1 -ATOM C CA MET 1.B 1 258 . -37.019 31.233 4.022 1.00 142.72 258 1.B 1693 ? 1 -ATOM C C MET 1.B 1 258 . -38.232 30.437 3.557 1.00 147.44 258 1.B 1694 ? 1 -ATOM O O MET 1.B 1 258 . -38.131 29.603 2.657 1.00 152.77 258 1.B 1695 ? 1 -ATOM C CB MET 1.B 1 258 . -36.537 30.670 5.361 1.00 140.73 258 1.B 1696 ? 1 -ATOM C CG MET 1.B 1 258 . -35.486 31.507 6.063 1.00 140.42 258 1.B 1697 ? 1 -ATOM S SD MET 1.B 1 258 . -33.901 31.518 5.215 1.00 158.66 258 1.B 1698 ? 1 -ATOM C CE MET 1.B 1 258 . -33.307 29.880 5.617 1.00 131.44 258 1.B 1699 ? 1 -ATOM N N ALA 1.B 1 259 . -39.375 30.693 4.185 1.00 143.41 259 1.B 1700 ? 1 -ATOM C CA ALA 1.B 1 259 . -40.591 29.939 3.904 1.00 141.94 259 1.B 1701 ? 1 -ATOM C C ALA 1.B 1 259 . -41.203 30.316 2.560 1.00 142.22 259 1.B 1702 ? 1 -ATOM O O ALA 1.B 1 259 . -41.326 29.477 1.668 1.00 146.77 259 1.B 1703 ? 1 -ATOM C CB ALA 1.B 1 259 . -41.603 30.129 5.023 1.00 139.06 259 1.B 1704 ? 1 -ATOM N N VAL 1.B 1 260 . -41.585 31.581 2.418 1.00 126.70 260 1.B 1705 ? 1 -ATOM C CA VAL 1.B 1 260 . -42.243 32.048 1.203 1.00 126.02 260 1.B 1706 ? 1 -ATOM C C VAL 1.B 1 260 . -41.320 31.976 -0.010 1.00 132.45 260 1.B 1707 ? 1 -ATOM O O VAL 1.B 1 260 . -41.773 32.087 -1.149 1.00 137.74 260 1.B 1708 ? 1 -ATOM C CB VAL 1.B 1 260 . -42.757 33.488 1.356 1.00 123.50 260 1.B 1709 ? 1 -ATOM C CG1 VAL 1.B 1 260 . -43.856 33.550 2.404 1.00 119.11 260 1.B 1710 ? 1 -ATOM C CG2 VAL 1.B 1 260 . -41.615 34.415 1.721 1.00 127.17 260 1.B 1711 ? 1 -ATOM N N GLY 1.B 1 261 . -40.027 31.793 0.241 1.00 140.15 261 1.B 1712 ? 1 -ATOM C CA GLY 1.B 1 261 . -39.051 31.657 -0.827 1.00 142.01 261 1.B 1713 ? 1 -ATOM C C GLY 1.B 1 261 . -38.845 32.932 -1.622 1.00 141.62 261 1.B 1714 ? 1 -ATOM O O GLY 1.B 1 261 . -38.362 32.898 -2.753 1.00 144.41 261 1.B 1715 ? 1 -ATOM N N ARG 1.B 1 262 . -39.213 34.059 -1.022 1.00 144.11 262 1.B 1716 ? 1 -ATOM C CA ARG 1.B 1 262 . -39.078 35.366 -1.655 1.00 144.32 262 1.B 1717 ? 1 -ATOM C C ARG 1.B 1 262 . -38.901 36.437 -0.588 1.00 140.49 262 1.B 1718 ? 1 -ATOM O O ARG 1.B 1 262 . -39.539 36.379 0.462 1.00 145.25 262 1.B 1719 ? 1 -ATOM C CB ARG 1.B 1 262 . -40.316 35.678 -2.497 1.00 146.92 262 1.B 1720 ? 1 -ATOM C CG ARG 1.B 1 262 . -40.517 37.159 -2.772 1.00 154.26 262 1.B 1721 ? 1 -ATOM C CD ARG 1.B 1 262 . -41.947 37.452 -3.186 1.00 162.43 262 1.B 1722 ? 1 -ATOM N NE ARG 1.B 1 262 . -42.235 38.883 -3.207 1.00 172.39 262 1.B 1723 ? 1 -ATOM C CZ ARG 1.B 1 262 . -43.400 39.402 -3.584 1.00 180.88 262 1.B 1724 ? 1 -ATOM N NH1 ARG 1.B 1 262 . -44.385 38.605 -3.974 1.00 183.85 262 1.B 1725 ? 1 -ATOM N NH2 ARG 1.B 1 262 . -43.580 40.715 -3.576 1.00 183.58 262 1.B 1726 ? 1 -ATOM N N TYR 1.B 1 263 . -38.034 37.410 -0.851 1.00 109.53 263 1.B 1727 ? 1 -ATOM C CA TYR 1.B 1 263 . -37.829 38.517 0.077 1.00 106.66 263 1.B 1728 ? 1 -ATOM C C TYR 1.B 1 263 . -39.156 39.225 0.360 1.00 109.22 263 1.B 1729 ? 1 -ATOM O O TYR 1.B 1 263 . -39.656 39.985 -0.472 1.00 107.01 263 1.B 1730 ? 1 -ATOM C CB TYR 1.B 1 263 . -36.799 39.495 -0.485 1.00 111.75 263 1.B 1731 ? 1 -ATOM C CG TYR 1.B 1 263 . -36.466 40.648 0.435 1.00 117.69 263 1.B 1732 ? 1 -ATOM C CD1 TYR 1.B 1 263 . -37.275 41.775 0.483 1.00 122.62 263 1.B 1733 ? 1 -ATOM C CD2 TYR 1.B 1 263 . -35.342 40.614 1.249 1.00 118.05 263 1.B 1734 ? 1 -ATOM C CE1 TYR 1.B 1 263 . -36.977 42.837 1.319 1.00 125.05 263 1.B 1735 ? 1 -ATOM C CE2 TYR 1.B 1 263 . -35.035 41.672 2.089 1.00 121.08 263 1.B 1736 ? 1 -ATOM C CZ TYR 1.B 1 263 . -35.856 42.781 2.119 1.00 123.15 263 1.B 1737 ? 1 -ATOM O OH TYR 1.B 1 263 . -35.562 43.839 2.948 1.00 123.30 263 1.B 1738 ? 1 -ATOM N N PRO 1.B 1 264 . -39.719 38.980 1.554 1.00 135.18 264 1.B 1739 ? 1 -ATOM C CA PRO 1.B 1 264 . -41.070 39.367 1.978 1.00 136.36 264 1.B 1740 ? 1 -ATOM C C PRO 1.B 1 264 . -41.532 40.732 1.475 1.00 144.71 264 1.B 1741 ? 1 -ATOM O O PRO 1.B 1 264 . -42.648 40.835 0.969 1.00 147.56 264 1.B 1742 ? 1 -ATOM C CB PRO 1.B 1 264 . -40.954 39.381 3.500 1.00 133.76 264 1.B 1743 ? 1 -ATOM C CG PRO 1.B 1 264 . -39.945 38.334 3.792 1.00 133.90 264 1.B 1744 ? 1 -ATOM C CD PRO 1.B 1 264 . -38.954 38.374 2.659 1.00 136.87 264 1.B 1745 ? 1 -ATOM N N ILE 1.B 1 265 . -40.697 41.757 1.615 1.00 151.24 265 1.B 1746 ? 1 -ATOM C CA ILE 1.B 1 265 . -41.081 43.111 1.220 1.00 160.37 265 1.B 1747 ? 1 -ATOM C C ILE 1.B 1 265 . -40.660 43.447 -0.208 1.00 164.20 265 1.B 1748 ? 1 -ATOM O O ILE 1.B 1 265 . -39.517 43.211 -0.595 1.00 164.07 265 1.B 1749 ? 1 -ATOM C CB ILE 1.B 1 265 . -40.494 44.170 2.173 1.00 167.75 265 1.B 1750 ? 1 -ATOM C CG1 ILE 1.B 1 265 . -41.004 43.949 3.597 1.00 170.71 265 1.B 1751 ? 1 -ATOM C CG2 ILE 1.B 1 265 . -40.846 45.573 1.702 1.00 169.90 265 1.B 1752 ? 1 -ATOM C CD1 ILE 1.B 1 265 . -40.633 45.064 4.552 1.00 176.85 265 1.B 1753 ? 1 -ATOM N N PRO 1.B 1 266 . -41.591 44.005 -0.995 1.00 156.06 266 1.B 1754 ? 1 -ATOM C CA PRO 1.B 1 266 . -42.973 44.238 -0.561 1.00 156.96 266 1.B 1755 ? 1 -ATOM C C PRO 1.B 1 266 . -43.783 42.945 -0.552 1.00 158.99 266 1.B 1756 ? 1 -ATOM O O PRO 1.B 1 266 . -43.523 42.056 -1.363 1.00 156.25 266 1.B 1757 ? 1 -ATOM C CB PRO 1.B 1 266 . -43.524 45.190 -1.631 1.00 155.78 266 1.B 1758 ? 1 -ATOM C CG PRO 1.B 1 266 . -42.323 45.713 -2.359 1.00 158.55 266 1.B 1759 ? 1 -ATOM C CD PRO 1.B 1 266 . -41.325 44.608 -2.309 1.00 157.93 266 1.B 1760 ? 1 -ATOM N N PRO 1.B 1 267 . -44.750 42.836 0.369 1.00 176.29 267 1.B 1761 ? 1 -ATOM C CA PRO 1.B 1 267 . -45.605 41.649 0.449 1.00 180.64 267 1.B 1762 ? 1 -ATOM C C PRO 1.B 1 267 . -46.253 41.352 -0.896 1.00 189.57 267 1.B 1763 ? 1 -ATOM O O PRO 1.B 1 267 . -46.642 42.282 -1.603 1.00 192.49 267 1.B 1764 ? 1 -ATOM C CB PRO 1.B 1 267 . -46.668 42.056 1.470 1.00 180.42 267 1.B 1765 ? 1 -ATOM C CG PRO 1.B 1 267 . -45.994 43.074 2.323 1.00 179.90 267 1.B 1766 ? 1 -ATOM C CD PRO 1.B 1 267 . -45.085 43.831 1.401 1.00 179.09 267 1.B 1767 ? 1 -ATOM N N PRO 1.B 1 268 . -46.362 40.064 -1.248 1.00 191.29 268 1.B 1768 ? 1 -ATOM C CA PRO 1.B 1 268 . -46.950 39.614 -2.513 1.00 199.27 268 1.B 1769 ? 1 -ATOM C C PRO 1.B 1 268 . -48.278 40.301 -2.823 1.00 208.59 268 1.B 1770 ? 1 -ATOM O O PRO 1.B 1 268 . -48.985 40.728 -1.908 1.00 209.77 268 1.B 1771 ? 1 -ATOM C CB PRO 1.B 1 268 . -47.167 38.120 -2.276 1.00 195.62 268 1.B 1772 ? 1 -ATOM C CG PRO 1.B 1 268 . -46.092 37.747 -1.317 1.00 191.82 268 1.B 1773 ? 1 -ATOM C CD PRO 1.B 1 268 . -45.906 38.937 -0.417 1.00 190.04 268 1.B 1774 ? 1 -ATOM N N ASP 1.B 1 269 . -48.601 40.404 -4.108 1.00 218.26 269 1.B 1775 ? 1 -ATOM C CA ASP 1.B 1 269 . -49.827 41.056 -4.557 1.00 225.23 269 1.B 1776 ? 1 -ATOM C C ASP 1.B 1 269 . -51.060 40.264 -4.133 1.00 227.89 269 1.B 1777 ? 1 -ATOM O O ASP 1.B 1 269 . -51.262 39.989 -2.949 1.00 226.43 269 1.B 1778 ? 1 -ATOM C CB ASP 1.B 1 269 . -49.804 41.219 -6.081 1.00 228.90 269 1.B 1779 ? 1 -ATOM C CG ASP 1.B 1 269 . -50.934 42.095 -6.597 1.00 232.50 269 1.B 1780 ? 1 -ATOM O OD1 ASP 1.B 1 269 . -51.625 42.727 -5.772 1.00 234.89 269 1.B 1781 ? 1 -ATOM O OD2 ASP 1.B 1 269 . -51.129 42.150 -7.830 1.00 232.97 269 1.B 1782 ? 1 -ATOM N N ALA 1.B 1 270 . -51.884 39.904 -5.112 1.00 232.46 270 1.B 1783 ? 1 -ATOM C CA ALA 1.B 1 270 . -53.075 39.101 -4.869 1.00 234.08 270 1.B 1784 ? 1 -ATOM C C ALA 1.B 1 270 . -53.016 37.833 -5.713 1.00 233.41 270 1.B 1785 ? 1 -ATOM O O ALA 1.B 1 270 . -53.431 36.760 -5.272 1.00 232.17 270 1.B 1786 ? 1 -ATOM C CB ALA 1.B 1 270 . -54.328 39.899 -5.186 1.00 236.25 270 1.B 1787 ? 1 -ATOM N N LYS 1.B 1 271 . -52.496 37.966 -6.930 1.00 225.99 271 1.B 1788 ? 1 -ATOM C CA LYS 1.B 1 271 . -52.304 36.825 -7.818 1.00 224.51 271 1.B 1789 ? 1 -ATOM C C LYS 1.B 1 271 . -50.898 36.250 -7.673 1.00 225.30 271 1.B 1790 ? 1 -ATOM O O LYS 1.B 1 271 . -50.634 35.120 -8.086 1.00 224.49 271 1.B 1791 ? 1 -ATOM C CB LYS 1.B 1 271 . -52.567 37.218 -9.275 1.00 220.52 271 1.B 1792 ? 1 -ATOM C CG LYS 1.B 1 271 . -54.040 37.323 -9.637 1.00 216.05 271 1.B 1793 ? 1 -ATOM C CD LYS 1.B 1 271 . -54.227 37.595 -11.121 1.00 210.83 271 1.B 1794 ? 1 -ATOM C CE LYS 1.B 1 271 . -55.667 37.362 -11.546 1.00 206.73 271 1.B 1795 ? 1 -ATOM N NZ LYS 1.B 1 271 . -56.082 35.949 -11.324 1.00 204.68 271 1.B 1796 ? 1 -ATOM N N GLU 1.B 1 272 . -49.999 37.035 -7.087 1.00 234.43 272 1.B 1797 ? 1 -ATOM C CA GLU 1.B 1 272 . -48.638 36.578 -6.834 1.00 235.51 272 1.B 1798 ? 1 -ATOM C C GLU 1.B 1 272 . -48.645 35.416 -5.848 1.00 233.16 272 1.B 1799 ? 1 -ATOM O O GLU 1.B 1 272 . -48.301 34.290 -6.204 1.00 232.92 272 1.B 1800 ? 1 -ATOM C CB GLU 1.B 1 272 . -47.765 37.722 -6.308 1.00 236.58 272 1.B 1801 ? 1 -ATOM C CG GLU 1.B 1 272 . -47.404 38.763 -7.360 1.00 238.80 272 1.B 1802 ? 1 -ATOM C CD GLU 1.B 1 272 . -46.401 39.786 -6.857 1.00 238.29 272 1.B 1803 ? 1 -ATOM O OE1 GLU 1.B 1 272 . -46.213 39.885 -5.626 1.00 236.00 272 1.B 1804 ? 1 -ATOM O OE2 GLU 1.B 1 272 . -45.801 40.492 -7.693 1.00 240.08 272 1.B 1805 ? 1 -ATOM N N LEU 1.B 1 273 . -49.048 35.695 -4.613 1.00 229.30 273 1.B 1806 ? 1 -ATOM C CA LEU 1.B 1 273 . -49.124 34.667 -3.579 1.00 228.46 273 1.B 1807 ? 1 -ATOM C C LEU 1.B 1 273 . -50.117 33.572 -3.959 1.00 229.02 273 1.B 1808 ? 1 -ATOM O O LEU 1.B 1 273 . -49.964 32.415 -3.564 1.00 228.83 273 1.B 1809 ? 1 -ATOM C CB LEU 1.B 1 273 . -49.512 35.283 -2.231 1.00 227.00 273 1.B 1810 ? 1 -ATOM C CG LEU 1.B 1 273 . -50.964 35.735 -2.047 1.00 226.58 273 1.B 1811 ? 1 -ATOM C CD1 LEU 1.B 1 273 . -51.264 35.994 -0.580 1.00 226.19 273 1.B 1812 ? 1 -ATOM C CD2 LEU 1.B 1 273 . -51.266 36.966 -2.880 1.00 225.28 273 1.B 1813 ? 1 -ATOM N N GLU 1.B 1 274 . -51.137 33.949 -4.724 1.00 228.84 274 1.B 1814 ? 1 -ATOM C CA GLU 1.B 1 274 . -52.139 33.002 -5.197 1.00 229.70 274 1.B 1815 ? 1 -ATOM C C GLU 1.B 1 274 . -51.479 31.825 -5.907 1.00 228.87 274 1.B 1816 ? 1 -ATOM O O GLU 1.B 1 274 . -51.945 30.689 -5.814 1.00 229.58 274 1.B 1817 ? 1 -ATOM C CB GLU 1.B 1 274 . -53.120 33.698 -6.145 1.00 232.84 274 1.B 1818 ? 1 -ATOM C CG GLU 1.B 1 274 . -54.081 32.756 -6.861 1.00 238.00 274 1.B 1819 ? 1 -ATOM C CD GLU 1.B 1 274 . -54.856 33.438 -7.978 1.00 239.96 274 1.B 1820 ? 1 -ATOM O OE1 GLU 1.B 1 274 . -54.669 34.656 -8.179 1.00 238.65 274 1.B 1821 ? 1 -ATOM O OE2 GLU 1.B 1 274 . -55.653 32.754 -8.656 1.00 242.52 274 1.B 1822 ? 1 -ATOM N N LEU 1.B 1 275 . -50.387 32.107 -6.610 1.00 224.54 275 1.B 1823 ? 1 -ATOM C CA LEU 1.B 1 275 . -49.710 31.101 -7.420 1.00 223.61 275 1.B 1824 ? 1 -ATOM C C LEU 1.B 1 275 . -48.286 30.836 -6.934 1.00 222.02 275 1.B 1825 ? 1 -ATOM O O LEU 1.B 1 275 . -47.339 30.890 -7.718 1.00 221.83 275 1.B 1826 ? 1 -ATOM C CB LEU 1.B 1 275 . -49.683 31.542 -8.886 1.00 222.79 275 1.B 1827 ? 1 -ATOM C CG LEU 1.B 1 275 . -51.012 32.006 -9.490 1.00 222.12 275 1.B 1828 ? 1 -ATOM C CD1 LEU 1.B 1 275 . -50.791 32.696 -10.828 1.00 222.18 275 1.B 1829 ? 1 -ATOM C CD2 LEU 1.B 1 275 . -51.981 30.842 -9.634 1.00 224.98 275 1.B 1830 ? 1 -ATOM N N MET 1.B 1 276 . -48.138 30.547 -5.644 1.00 223.06 276 1.B 1831 ? 1 -ATOM C CA MET 1.B 1 276 . -46.820 30.279 -5.073 1.00 223.14 276 1.B 1832 ? 1 -ATOM C C MET 1.B 1 276 . -46.766 28.946 -4.328 1.00 224.47 276 1.B 1833 ? 1 -ATOM O O MET 1.B 1 276 . -45.709 28.321 -4.238 1.00 222.86 276 1.B 1834 ? 1 -ATOM C CB MET 1.B 1 276 . -46.382 31.423 -4.151 1.00 220.76 276 1.B 1835 ? 1 -ATOM C CG MET 1.B 1 276 . -46.166 32.750 -4.869 1.00 221.43 276 1.B 1836 ? 1 -ATOM S SD MET 1.B 1 276 . -45.414 34.031 -3.843 1.00 222.98 276 1.B 1837 ? 1 -ATOM C CE MET 1.B 1 276 . -43.741 33.406 -3.683 1.00 143.45 276 1.B 1838 ? 1 -ATOM N N PHE 1.B 1 277 . -47.907 28.513 -3.801 1.00 229.93 277 1.B 1839 ? 1 -ATOM C CA PHE 1.B 1 277 . -47.976 27.257 -3.061 1.00 233.99 277 1.B 1840 ? 1 -ATOM C C PHE 1.B 1 277 . -47.851 26.043 -3.981 1.00 240.64 277 1.B 1841 ? 1 -ATOM O O PHE 1.B 1 277 . -48.532 25.950 -5.002 1.00 243.37 277 1.B 1842 ? 1 -ATOM C CB PHE 1.B 1 277 . -49.269 27.176 -2.241 1.00 234.62 277 1.B 1843 ? 1 -ATOM C CG PHE 1.B 1 277 . -50.521 27.144 -3.076 1.00 237.38 277 1.B 1844 ? 1 -ATOM C CD1 PHE 1.B 1 277 . -51.146 28.320 -3.458 1.00 236.12 277 1.B 1845 ? 1 -ATOM C CD2 PHE 1.B 1 277 . -51.079 25.938 -3.469 1.00 239.87 277 1.B 1846 ? 1 -ATOM C CE1 PHE 1.B 1 277 . -52.300 28.293 -4.220 1.00 237.38 277 1.B 1847 ? 1 -ATOM C CE2 PHE 1.B 1 277 . -52.232 25.906 -4.232 1.00 241.77 277 1.B 1848 ? 1 -ATOM C CZ PHE 1.B 1 277 . -52.842 27.085 -4.608 1.00 240.48 277 1.B 1849 ? 1 -ATOM N N GLY 1.B 1 278 . -46.971 25.119 -3.611 1.00 243.91 278 1.B 1850 ? 1 -ATOM C CA GLY 1.B 1 278 . -46.761 23.905 -4.379 1.00 250.31 278 1.B 1851 ? 1 -ATOM C C GLY 1.B 1 278 . -46.154 22.806 -3.529 1.00 252.30 278 1.B 1852 ? 1 -ATOM O O GLY 1.B 1 278 . -46.863 22.116 -2.795 1.00 253.37 278 1.B 1853 ? 1 -ATOM N N CYS 1.B 1 279 . -44.838 22.643 -3.631 1.00 252.36 279 1.B 1854 ? 1 -ATOM C CA CYS 1.B 1 279 . -44.113 21.676 -2.813 1.00 251.96 279 1.B 1855 ? 1 -ATOM C C CYS 1.B 1 279 . -42.613 21.738 -3.090 1.00 250.55 279 1.B 1856 ? 1 -ATOM O O CYS 1.B 1 279 . -41.802 21.307 -2.270 1.00 248.23 279 1.B 1857 ? 1 -ATOM C CB CYS 1.B 1 279 . -44.633 20.257 -3.053 1.00 257.48 279 1.B 1858 ? 1 -ATOM S SG CYS 1.B 1 279 . -44.127 19.064 -1.790 1.00 219.58 279 1.B 1859 ? 1 -ATOM N N PRO 1.B 1 309 . -38.522 45.873 -8.405 1.00 226.61 309 1.B 1860 ? 1 -ATOM C CA PRO 1.B 1 309 . -37.846 47.060 -8.942 1.00 232.45 309 1.B 1861 ? 1 -ATOM C C PRO 1.B 1 309 . -38.187 48.316 -8.141 1.00 229.98 309 1.B 1862 ? 1 -ATOM O O PRO 1.B 1 309 . -39.189 48.971 -8.433 1.00 232.08 309 1.B 1863 ? 1 -ATOM C CB PRO 1.B 1 309 . -38.415 47.172 -10.361 1.00 234.25 309 1.B 1864 ? 1 -ATOM C CG PRO 1.B 1 309 . -38.857 45.789 -10.705 1.00 230.29 309 1.B 1865 ? 1 -ATOM C CD PRO 1.B 1 309 . -39.341 45.190 -9.421 1.00 223.95 309 1.B 1866 ? 1 -ATOM N N MET 1.B 1 310 . -37.361 48.648 -7.152 1.00 217.13 310 1.B 1867 ? 1 -ATOM C CA MET 1.B 1 310 . -37.636 49.783 -6.275 1.00 209.17 310 1.B 1868 ? 1 -ATOM C C MET 1.B 1 310 . -36.436 50.707 -6.103 1.00 203.70 310 1.B 1869 ? 1 -ATOM O O MET 1.B 1 310 . -35.334 50.411 -6.562 1.00 206.26 310 1.B 1870 ? 1 -ATOM C CB MET 1.B 1 310 . -38.082 49.295 -4.894 1.00 206.97 310 1.B 1871 ? 1 -ATOM C CG MET 1.B 1 310 . -39.382 48.515 -4.878 1.00 202.93 310 1.B 1872 ? 1 -ATOM S SD MET 1.B 1 310 . -39.869 48.071 -3.200 1.00 177.92 310 1.B 1873 ? 1 -ATOM C CE MET 1.B 1 310 . -40.118 49.692 -2.479 1.00 598.50 310 1.B 1874 ? 1 -ATOM N N ALA 1.B 1 311 . -36.669 51.832 -5.432 1.00 191.39 311 1.B 1875 ? 1 -ATOM C CA ALA 1.B 1 311 . -35.596 52.726 -5.020 1.00 179.40 311 1.B 1876 ? 1 -ATOM C C ALA 1.B 1 311 . -35.207 52.366 -3.596 1.00 169.97 311 1.B 1877 ? 1 -ATOM O O ALA 1.B 1 311 . -36.070 52.074 -2.769 1.00 172.88 311 1.B 1878 ? 1 -ATOM C CB ALA 1.B 1 311 . -36.048 54.171 -5.095 1.00 179.79 311 1.B 1879 ? 1 -ATOM N N ILE 1.B 1 312 . -33.911 52.381 -3.309 1.00 164.81 312 1.B 1880 ? 1 -ATOM C CA ILE 1.B 1 312 . -33.428 51.962 -1.999 1.00 151.66 312 1.B 1881 ? 1 -ATOM C C ILE 1.B 1 312 . -34.193 52.617 -0.855 1.00 142.65 312 1.B 1882 ? 1 -ATOM O O ILE 1.B 1 312 . -34.602 51.942 0.089 1.00 138.17 312 1.B 1883 ? 1 -ATOM C CB ILE 1.B 1 312 . -31.927 52.232 -1.829 1.00 150.47 312 1.B 1884 ? 1 -ATOM C CG1 ILE 1.B 1 312 . -31.120 51.242 -2.667 1.00 148.69 312 1.B 1885 ? 1 -ATOM C CG2 ILE 1.B 1 312 . -31.535 52.121 -0.368 1.00 147.75 312 1.B 1886 ? 1 -ATOM C CD1 ILE 1.B 1 312 . -29.650 51.220 -2.331 1.00 146.28 312 1.B 1887 ? 1 -ATOM N N PHE 1.B 1 313 . -34.391 53.928 -0.942 1.00 137.32 313 1.B 1888 ? 1 -ATOM C CA PHE 1.B 1 313 . -35.089 54.649 0.114 1.00 135.55 313 1.B 1889 ? 1 -ATOM C C PHE 1.B 1 313 . -36.533 54.203 0.271 1.00 128.65 313 1.B 1890 ? 1 -ATOM O O PHE 1.B 1 313 . -37.051 54.165 1.382 1.00 133.01 313 1.B 1891 ? 1 -ATOM C CB PHE 1.B 1 313 . -35.064 56.153 -0.123 1.00 140.51 313 1.B 1892 ? 1 -ATOM C CG PHE 1.B 1 313 . -36.029 56.908 0.742 1.00 142.91 313 1.B 1893 ? 1 -ATOM C CD1 PHE 1.B 1 313 . -37.327 57.127 0.322 1.00 133.99 313 1.B 1894 ? 1 -ATOM C CD2 PHE 1.B 1 313 . -35.643 57.380 1.983 1.00 129.75 313 1.B 1895 ? 1 -ATOM C CE1 PHE 1.B 1 313 . -38.214 57.813 1.114 1.00 134.33 313 1.B 1896 ? 1 -ATOM C CE2 PHE 1.B 1 313 . -36.530 58.067 2.780 1.00 130.06 313 1.B 1897 ? 1 -ATOM C CZ PHE 1.B 1 313 . -37.817 58.284 2.344 1.00 134.55 313 1.B 1898 ? 1 -ATOM N N GLU 1.B 1 314 . -37.192 53.889 -0.836 1.00 135.40 314 1.B 1899 ? 1 -ATOM C CA GLU 1.B 1 314 . -38.578 53.444 -0.766 1.00 141.41 314 1.B 1900 ? 1 -ATOM C C GLU 1.B 1 314 . -38.707 52.130 0.003 1.00 138.89 314 1.B 1901 ? 1 -ATOM O O GLU 1.B 1 314 . -39.592 51.984 0.848 1.00 136.33 314 1.B 1902 ? 1 -ATOM C CB GLU 1.B 1 314 . -39.192 53.328 -2.160 1.00 151.36 314 1.B 1903 ? 1 -ATOM C CG GLU 1.B 1 314 . -39.640 54.658 -2.735 1.00 164.73 314 1.B 1904 ? 1 -ATOM C CD GLU 1.B 1 314 . -40.584 54.492 -3.904 1.00 179.29 314 1.B 1905 ? 1 -ATOM O OE1 GLU 1.B 1 314 . -40.714 53.353 -4.400 1.00 183.02 314 1.B 1906 ? 1 -ATOM O OE2 GLU 1.B 1 314 . -41.197 55.496 -4.325 1.00 186.37 314 1.B 1907 ? 1 -ATOM N N LEU 1.B 1 315 . -37.823 51.180 -0.285 1.00 128.37 315 1.B 1908 ? 1 -ATOM C CA LEU 1.B 1 315 . -37.819 49.919 0.445 1.00 124.61 315 1.B 1909 ? 1 -ATOM C C LEU 1.B 1 315 . -37.676 50.188 1.932 1.00 121.72 315 1.B 1910 ? 1 -ATOM O O LEU 1.B 1 315 . -38.423 49.652 2.747 1.00 121.73 315 1.B 1911 ? 1 -ATOM C CB LEU 1.B 1 315 . -36.674 49.020 -0.015 1.00 124.51 315 1.B 1912 ? 1 -ATOM C CG LEU 1.B 1 315 . -36.555 47.729 0.796 1.00 124.86 315 1.B 1913 ? 1 -ATOM C CD1 LEU 1.B 1 315 . -37.811 46.895 0.633 1.00 128.61 315 1.B 1914 ? 1 -ATOM C CD2 LEU 1.B 1 315 . -35.329 46.925 0.400 1.00 118.93 315 1.B 1915 ? 1 -ATOM N N LEU 1.B 1 316 . -36.704 51.022 2.278 1.00 121.18 316 1.B 1916 ? 1 -ATOM C CA LEU 1.B 1 316 . -36.444 51.362 3.667 1.00 119.32 316 1.B 1917 ? 1 -ATOM C C LEU 1.B 1 316 . -37.637 52.067 4.304 1.00 120.14 316 1.B 1918 ? 1 -ATOM O O LEU 1.B 1 316 . -38.096 51.672 5.375 1.00 118.73 316 1.B 1919 ? 1 -ATOM C CB LEU 1.B 1 316 . -35.191 52.231 3.772 1.00 119.26 316 1.B 1920 ? 1 -ATOM C CG LEU 1.B 1 316 . -33.917 51.594 3.217 1.00 118.54 316 1.B 1921 ? 1 -ATOM C CD1 LEU 1.B 1 316 . -32.754 52.568 3.290 1.00 119.04 316 1.B 1922 ? 1 -ATOM C CD2 LEU 1.B 1 316 . -33.600 50.312 3.967 1.00 116.11 316 1.B 1923 ? 1 -ATOM N N ASP 1.B 1 317 . -38.140 53.104 3.641 1.00 122.70 317 1.B 1924 ? 1 -ATOM C CA ASP 1.B 1 317 . -39.273 53.863 4.157 1.00 123.87 317 1.B 1925 ? 1 -ATOM C C ASP 1.B 1 317 . -40.458 52.950 4.432 1.00 131.47 317 1.B 1926 ? 1 -ATOM O O ASP 1.B 1 317 . -41.228 53.172 5.368 1.00 123.30 317 1.B 1927 ? 1 -ATOM C CB ASP 1.B 1 317 . -39.688 54.955 3.175 1.00 127.32 317 1.B 1928 ? 1 -ATOM C CG ASP 1.B 1 317 . -40.753 55.873 3.744 1.00 136.38 317 1.B 1929 ? 1 -ATOM O OD1 ASP 1.B 1 317 . -40.576 56.349 4.886 1.00 134.35 317 1.B 1930 ? 1 -ATOM O OD2 ASP 1.B 1 317 . -41.767 56.112 3.055 1.00 131.52 317 1.B 1931 ? 1 -ATOM N N TYR 1.B 1 318 . -40.605 51.924 3.602 1.00 130.73 318 1.B 1932 ? 1 -ATOM C CA TYR 1.B 1 318 . -41.666 50.950 3.787 1.00 123.98 318 1.B 1933 ? 1 -ATOM C C TYR 1.B 1 318 . -41.429 50.186 5.078 1.00 121.17 318 1.B 1934 ? 1 -ATOM O O TYR 1.B 1 318 . -42.325 50.067 5.911 1.00 121.49 318 1.B 1935 ? 1 -ATOM C CB TYR 1.B 1 318 . -41.719 49.989 2.603 1.00 125.06 318 1.B 1936 ? 1 -ATOM C CG TYR 1.B 1 318 . -42.890 49.041 2.645 1.00 131.08 318 1.B 1937 ? 1 -ATOM C CD1 TYR 1.B 1 318 . -42.846 47.893 3.421 1.00 129.17 318 1.B 1938 ? 1 -ATOM C CD2 TYR 1.B 1 318 . -44.040 49.294 1.909 1.00 129.00 318 1.B 1939 ? 1 -ATOM C CE1 TYR 1.B 1 318 . -43.914 47.021 3.464 1.00 135.14 318 1.B 1940 ? 1 -ATOM C CE2 TYR 1.B 1 318 . -45.113 48.428 1.945 1.00 147.27 318 1.B 1941 ? 1 -ATOM C CZ TYR 1.B 1 318 . -45.045 47.293 2.724 1.00 144.47 318 1.B 1942 ? 1 -ATOM O OH TYR 1.B 1 318 . -46.111 46.424 2.766 1.00 150.14 318 1.B 1943 ? 1 -ATOM N N ILE 1.B 1 319 . -40.211 49.680 5.238 1.00 119.21 319 1.B 1944 ? 1 -ATOM C CA ILE 1.B 1 319 . -39.825 48.943 6.434 1.00 120.20 319 1.B 1945 ? 1 -ATOM C C ILE 1.B 1 319 . -40.166 49.713 7.699 1.00 117.94 319 1.B 1946 ? 1 -ATOM O O ILE 1.B 1 319 . -40.587 49.132 8.700 1.00 117.23 319 1.B 1947 ? 1 -ATOM C CB ILE 1.B 1 319 . -38.317 48.661 6.448 1.00 115.39 319 1.B 1948 ? 1 -ATOM C CG1 ILE 1.B 1 319 . -37.928 47.780 5.264 1.00 125.66 319 1.B 1949 ? 1 -ATOM C CG2 ILE 1.B 1 319 . -37.913 48.002 7.750 1.00 113.63 319 1.B 1950 ? 1 -ATOM C CD1 ILE 1.B 1 319 . -36.456 47.442 5.228 1.00 126.14 319 1.B 1951 ? 1 -ATOM N N VAL 1.B 1 320 . -39.987 51.028 7.644 1.00 117.35 320 1.B 1952 ? 1 -ATOM C CA VAL 1.B 1 320 . -40.194 51.877 8.807 1.00 117.09 320 1.B 1953 ? 1 -ATOM C C VAL 1.B 1 320 . -41.670 52.150 9.110 1.00 124.45 320 1.B 1954 ? 1 -ATOM O O VAL 1.B 1 320 . -42.097 52.019 10.256 1.00 117.78 320 1.B 1955 ? 1 -ATOM C CB VAL 1.B 1 320 . -39.437 53.211 8.670 1.00 117.69 320 1.B 1956 ? 1 -ATOM C CG1 VAL 1.B 1 320 . -39.745 54.117 9.842 1.00 117.70 320 1.B 1957 ? 1 -ATOM C CG2 VAL 1.B 1 320 . -37.945 52.960 8.566 1.00 116.46 320 1.B 1958 ? 1 -ATOM N N ASN 1.B 1 321 . -42.450 52.516 8.095 1.00 120.56 321 1.B 1959 ? 1 -ATOM C CA ASN 1.B 1 321 . -43.838 52.922 8.330 1.00 131.83 321 1.B 1960 ? 1 -ATOM C C ASN 1.B 1 321 . -44.913 51.861 8.081 1.00 133.31 321 1.B 1961 ? 1 -ATOM O O ASN 1.B 1 321 . -45.889 51.774 8.827 1.00 133.98 321 1.B 1962 ? 1 -ATOM C CB ASN 1.B 1 321 . -44.168 54.203 7.561 1.00 124.81 321 1.B 1963 ? 1 -ATOM C CG ASN 1.B 1 321 . -43.502 55.423 8.160 1.00 124.47 321 1.B 1964 ? 1 -ATOM O OD1 ASN 1.B 1 321 . -42.302 55.418 8.422 1.00 122.79 321 1.B 1965 ? 1 -ATOM N ND2 ASN 1.B 1 321 . -44.280 56.476 8.385 1.00 133.78 321 1.B 1966 ? 1 -ATOM N N GLU 1.B 1 322 . -44.746 51.060 7.038 1.00 123.57 322 1.B 1967 ? 1 -ATOM C CA GLU 1.B 1 322 . -45.738 50.039 6.724 1.00 124.73 322 1.B 1968 ? 1 -ATOM C C GLU 1.B 1 322 . -45.589 48.804 7.613 1.00 126.14 322 1.B 1969 ? 1 -ATOM O O GLU 1.B 1 322 . -44.503 48.525 8.120 1.00 124.22 322 1.B 1970 ? 1 -ATOM C CB GLU 1.B 1 322 . -45.660 49.661 5.246 1.00 126.39 322 1.B 1971 ? 1 -ATOM C CG GLU 1.B 1 322 . -45.804 50.850 4.318 1.00 134.54 322 1.B 1972 ? 1 -ATOM C CD GLU 1.B 1 322 . -47.015 51.698 4.653 1.00 138.68 322 1.B 1973 ? 1 -ATOM O OE1 GLU 1.B 1 322 . -48.058 51.121 5.026 1.00 139.82 322 1.B 1974 ? 1 -ATOM O OE2 GLU 1.B 1 322 . -46.924 52.940 4.542 1.00 141.41 322 1.B 1975 ? 1 -ATOM N N PRO 1.B 1 323 . -46.693 48.071 7.821 1.00 130.40 323 1.B 1976 ? 1 -ATOM C CA PRO 1.B 1 323 . -46.717 46.820 8.588 1.00 131.66 323 1.B 1977 ? 1 -ATOM C C PRO 1.B 1 323 . -45.777 45.761 8.022 1.00 134.10 323 1.B 1978 ? 1 -ATOM O O PRO 1.B 1 323 . -45.664 45.627 6.803 1.00 138.56 323 1.B 1979 ? 1 -ATOM C CB PRO 1.B 1 323 . -48.166 46.355 8.444 1.00 134.49 323 1.B 1980 ? 1 -ATOM C CG PRO 1.B 1 323 . -48.934 47.603 8.247 1.00 138.17 323 1.B 1981 ? 1 -ATOM C CD PRO 1.B 1 323 . -48.047 48.504 7.439 1.00 137.41 323 1.B 1982 ? 1 -ATOM N N PRO 1.B 1 324 . -45.119 45.002 8.911 1.00 129.76 324 1.B 1983 ? 1 -ATOM C CA PRO 1.B 1 324 . -44.132 43.970 8.579 1.00 129.11 324 1.B 1984 ? 1 -ATOM C C PRO 1.B 1 324 . -44.721 42.839 7.747 1.00 133.43 324 1.B 1985 ? 1 -ATOM O O PRO 1.B 1 324 . -45.935 42.789 7.546 1.00 139.42 324 1.B 1986 ? 1 -ATOM C CB PRO 1.B 1 324 . -43.717 43.431 9.954 1.00 127.45 324 1.B 1987 ? 1 -ATOM C CG PRO 1.B 1 324 . -44.068 44.506 10.914 1.00 126.40 324 1.B 1988 ? 1 -ATOM C CD PRO 1.B 1 324 . -45.309 45.124 10.364 1.00 128.48 324 1.B 1989 ? 1 -ATOM N N PRO 1.B 1 325 . -43.859 41.939 7.255 1.00 129.54 325 1.B 1990 ? 1 -ATOM C CA PRO 1.B 1 325 . -44.273 40.745 6.514 1.00 131.37 325 1.B 1991 ? 1 -ATOM C C PRO 1.B 1 325 . -44.985 39.739 7.410 1.00 131.09 325 1.B 1992 ? 1 -ATOM O O PRO 1.B 1 325 . -44.699 39.659 8.604 1.00 129.90 325 1.B 1993 ? 1 -ATOM C CB PRO 1.B 1 325 . -42.945 40.158 6.029 1.00 129.15 325 1.B 1994 ? 1 -ATOM C CG PRO 1.B 1 325 . -41.989 41.304 6.053 1.00 128.32 325 1.B 1995 ? 1 -ATOM C CD PRO 1.B 1 325 . -42.398 42.118 7.232 1.00 127.34 325 1.B 1996 ? 1 -ATOM N N LYS 1.B 1 326 . -45.906 38.982 6.827 1.00 141.13 326 1.B 1997 ? 1 -ATOM C CA LYS 1.B 1 326 . -46.644 37.971 7.566 1.00 150.05 326 1.B 1998 ? 1 -ATOM C C LYS 1.B 1 326 . -46.575 36.639 6.837 1.00 151.14 326 1.B 1999 ? 1 -ATOM O O LYS 1.B 1 326 . -46.663 36.587 5.610 1.00 155.59 326 1.B 2000 ? 1 -ATOM C CB LYS 1.B 1 326 . -48.106 38.389 7.733 1.00 161.04 326 1.B 2001 ? 1 -ATOM C CG LYS 1.B 1 326 . -48.898 38.415 6.429 1.00 169.29 326 1.B 2002 ? 1 -ATOM C CD LYS 1.B 1 326 . -50.366 38.752 6.661 1.00 172.97 326 1.B 2003 ? 1 -ATOM C CE LYS 1.B 1 326 . -51.128 38.842 5.344 1.00 174.48 326 1.B 2004 ? 1 -ATOM N NZ LYS 1.B 1 326 . -52.533 39.301 5.533 1.00 176.00 326 1.B 2005 ? 1 -ATOM N N LEU 1.B 1 327 . -46.409 35.562 7.594 1.00 135.09 327 1.B 2006 ? 1 -ATOM C CA LEU 1.B 1 327 . -46.470 34.228 7.018 1.00 134.28 327 1.B 2007 ? 1 -ATOM C C LEU 1.B 1 327 . -47.898 33.928 6.587 1.00 138.46 327 1.B 2008 ? 1 -ATOM O O LEU 1.B 1 327 . -48.835 34.087 7.370 1.00 141.22 327 1.B 2009 ? 1 -ATOM C CB LEU 1.B 1 327 . -45.995 33.186 8.026 1.00 132.86 327 1.B 2010 ? 1 -ATOM C CG LEU 1.B 1 327 . -44.491 33.166 8.278 1.00 132.98 327 1.B 2011 ? 1 -ATOM C CD1 LEU 1.B 1 327 . -44.164 32.245 9.435 1.00 136.95 327 1.B 2012 ? 1 -ATOM C CD2 LEU 1.B 1 327 . -43.756 32.734 7.022 1.00 124.32 327 1.B 2013 ? 1 -ATOM N N PRO 1.B 1 328 . -48.070 33.503 5.330 1.00 153.92 328 1.B 2014 ? 1 -ATOM C CA PRO 1.B 1 328 . -49.390 33.167 4.792 1.00 157.92 328 1.B 2015 ? 1 -ATOM C C PRO 1.B 1 328 . -50.098 32.142 5.667 1.00 157.92 328 1.B 2016 ? 1 -ATOM O O PRO 1.B 1 328 . -49.600 31.029 5.832 1.00 158.30 328 1.B 2017 ? 1 -ATOM C CB PRO 1.B 1 328 . -49.062 32.557 3.429 1.00 160.34 328 1.B 2018 ? 1 -ATOM C CG PRO 1.B 1 328 . -47.755 33.166 3.051 1.00 156.85 328 1.B 2019 ? 1 -ATOM C CD PRO 1.B 1 328 . -47.000 33.325 4.334 1.00 152.78 328 1.B 2020 ? 1 -ATOM N N SER 1.B 1 329 . -51.245 32.518 6.223 1.00 145.23 329 1.B 2021 ? 1 -ATOM C CA SER 1.B 1 329 . -51.997 31.620 7.089 1.00 145.33 329 1.B 2022 ? 1 -ATOM C C SER 1.B 1 329 . -52.390 30.353 6.339 1.00 148.61 329 1.B 2023 ? 1 -ATOM O O SER 1.B 1 329 . -52.273 30.287 5.114 1.00 147.49 329 1.B 2024 ? 1 -ATOM C CB SER 1.B 1 329 . -53.241 32.316 7.642 1.00 146.97 329 1.B 2025 ? 1 -ATOM O OG SER 1.B 1 329 . -53.864 31.524 8.639 1.00 149.91 329 1.B 2026 ? 1 -ATOM N N ALA 1.B 1 330 . -52.845 29.350 7.086 1.00 158.79 330 1.B 2027 ? 1 -ATOM C CA ALA 1.B 1 330 . -53.262 28.073 6.515 1.00 161.95 330 1.B 2028 ? 1 -ATOM C C ALA 1.B 1 330 . -52.072 27.188 6.153 1.00 163.85 330 1.B 2029 ? 1 -ATOM O O ALA 1.B 1 330 . -51.990 26.041 6.588 1.00 170.82 330 1.B 2030 ? 1 -ATOM C CB ALA 1.B 1 330 . -54.156 28.292 5.300 1.00 162.60 330 1.B 2031 ? 1 -ATOM N N VAL 1.B 1 331 . -51.152 27.731 5.361 1.00 153.88 331 1.B 2032 ? 1 -ATOM C CA VAL 1.B 1 331 . -49.996 26.977 4.881 1.00 154.63 331 1.B 2033 ? 1 -ATOM C C VAL 1.B 1 331 . -48.978 26.690 5.988 1.00 156.85 331 1.B 2034 ? 1 -ATOM O O VAL 1.B 1 331 . -48.173 25.760 5.880 1.00 155.74 331 1.B 2035 ? 1 -ATOM C CB VAL 1.B 1 331 . -49.294 27.720 3.729 1.00 150.83 331 1.B 2036 ? 1 -ATOM C CG1 VAL 1.B 1 331 . -48.234 26.833 3.085 1.00 150.18 331 1.B 2037 ? 1 -ATOM C CG2 VAL 1.B 1 331 . -50.317 28.177 2.697 1.00 151.30 331 1.B 2038 ? 1 -ATOM N N PHE 1.B 1 332 . -49.017 27.493 7.047 1.00 167.14 332 1.B 2039 ? 1 -ATOM C CA PHE 1.B 1 332 . -48.108 27.321 8.175 1.00 163.25 332 1.B 2040 ? 1 -ATOM C C PHE 1.B 1 332 . -48.875 27.235 9.491 1.00 155.97 332 1.B 2041 ? 1 -ATOM O O PHE 1.B 1 332 . -49.958 27.805 9.629 1.00 152.21 332 1.B 2042 ? 1 -ATOM C CB PHE 1.B 1 332 . -47.104 28.474 8.239 1.00 165.21 332 1.B 2043 ? 1 -ATOM C CG PHE 1.B 1 332 . -46.299 28.652 6.982 1.00 167.50 332 1.B 2044 ? 1 -ATOM C CD1 PHE 1.B 1 332 . -45.105 27.973 6.805 1.00 167.53 332 1.B 2045 ? 1 -ATOM C CD2 PHE 1.B 1 332 . -46.733 29.505 5.981 1.00 169.16 332 1.B 2046 ? 1 -ATOM C CE1 PHE 1.B 1 332 . -44.361 28.140 5.650 1.00 166.59 332 1.B 2047 ? 1 -ATOM C CE2 PHE 1.B 1 332 . -45.993 29.675 4.826 1.00 168.08 332 1.B 2048 ? 1 -ATOM C CZ PHE 1.B 1 332 . -44.806 28.991 4.660 1.00 166.26 332 1.B 2049 ? 1 -ATOM N N SER 1.B 1 333 . -48.306 26.521 10.456 1.00 148.38 333 1.B 2050 ? 1 -ATOM C CA SER 1.B 1 333 . -48.918 26.395 11.771 1.00 150.72 333 1.B 2051 ? 1 -ATOM C C SER 1.B 1 333 . -49.062 27.766 12.413 1.00 149.56 333 1.B 2052 ? 1 -ATOM O O SER 1.B 1 333 . -48.244 28.652 12.181 1.00 147.75 333 1.B 2053 ? 1 -ATOM C CB SER 1.B 1 333 . -48.073 25.491 12.667 1.00 152.49 333 1.B 2054 ? 1 -ATOM O OG SER 1.B 1 333 . -46.791 26.050 12.883 1.00 140.59 333 1.B 2055 ? 1 -ATOM N N LEU 1.B 1 334 . -50.102 27.942 13.220 1.00 143.22 334 1.B 2056 ? 1 -ATOM C CA LEU 1.B 1 334 . -50.318 29.218 13.891 1.00 141.75 334 1.B 2057 ? 1 -ATOM C C LEU 1.B 1 334 . -49.225 29.446 14.923 1.00 140.03 334 1.B 2058 ? 1 -ATOM O O LEU 1.B 1 334 . -48.868 30.582 15.229 1.00 143.98 334 1.B 2059 ? 1 -ATOM C CB LEU 1.B 1 334 . -51.694 29.263 14.557 1.00 144.78 334 1.B 2060 ? 1 -ATOM C CG LEU 1.B 1 334 . -52.910 29.005 13.663 1.00 147.30 334 1.B 2061 ? 1 -ATOM C CD1 LEU 1.B 1 334 . -54.190 29.282 14.430 1.00 150.00 334 1.B 2062 ? 1 -ATOM C CD2 LEU 1.B 1 334 . -52.851 29.846 12.396 1.00 149.04 334 1.B 2063 ? 1 -ATOM N N GLU 1.B 1 335 . -48.695 28.351 15.453 1.00 141.57 335 1.B 2064 ? 1 -ATOM C CA GLU 1.B 1 335 . -47.604 28.415 16.412 1.00 144.37 335 1.B 2065 ? 1 -ATOM C C GLU 1.B 1 335 . -46.408 29.125 15.789 1.00 140.95 335 1.B 2066 ? 1 -ATOM O O GLU 1.B 1 335 . -45.863 30.069 16.359 1.00 134.96 335 1.B 2067 ? 1 -ATOM C CB GLU 1.B 1 335 . -47.207 27.003 16.830 1.00 146.75 335 1.B 2068 ? 1 -ATOM C CG GLU 1.B 1 335 . -48.369 26.030 16.843 1.00 153.59 335 1.B 2069 ? 1 -ATOM C CD GLU 1.B 1 335 . -47.922 24.595 16.667 1.00 164.34 335 1.B 2070 ? 1 -ATOM O OE1 GLU 1.B 1 335 . -46.698 24.367 16.569 1.00 167.14 335 1.B 2071 ? 1 -ATOM O OE2 GLU 1.B 1 335 . -48.790 23.696 16.622 1.00 170.56 335 1.B 2072 ? 1 -ATOM N N PHE 1.B 1 336 . -46.018 28.658 14.606 1.00 154.96 336 1.B 2073 ? 1 -ATOM C CA PHE 1.B 1 336 . -44.877 29.195 13.869 1.00 150.42 336 1.B 2074 ? 1 -ATOM C C PHE 1.B 1 336 . -45.098 30.646 13.467 1.00 144.90 336 1.B 2075 ? 1 -ATOM O O PHE 1.B 1 336 . -44.208 31.485 13.614 1.00 141.12 336 1.B 2076 ? 1 -ATOM C CB PHE 1.B 1 336 . -44.619 28.337 12.627 1.00 151.63 336 1.B 2077 ? 1 -ATOM C CG PHE 1.B 1 336 . -43.527 28.858 11.735 1.00 149.39 336 1.B 2078 ? 1 -ATOM C CD1 PHE 1.B 1 336 . -42.328 29.307 12.265 1.00 147.77 336 1.B 2079 ? 1 -ATOM C CD2 PHE 1.B 1 336 . -43.689 28.867 10.359 1.00 148.02 336 1.B 2080 ? 1 -ATOM C CE1 PHE 1.B 1 336 . -41.320 29.775 11.438 1.00 145.11 336 1.B 2081 ? 1 -ATOM C CE2 PHE 1.B 1 336 . -42.685 29.330 9.528 1.00 144.94 336 1.B 2082 ? 1 -ATOM C CZ PHE 1.B 1 336 . -41.499 29.786 10.068 1.00 143.45 336 1.B 2083 ? 1 -ATOM N N GLN 1.B 1 337 . -46.288 30.934 12.952 1.00 140.36 337 1.B 2084 ? 1 -ATOM C CA GLN 1.B 1 337 . -46.638 32.297 12.581 1.00 137.28 337 1.B 2085 ? 1 -ATOM C C GLN 1.B 1 337 . -46.347 33.232 13.745 1.00 134.33 337 1.B 2086 ? 1 -ATOM O O GLN 1.B 1 337 . -45.627 34.217 13.597 1.00 126.36 337 1.B 2087 ? 1 -ATOM C CB GLN 1.B 1 337 . -48.110 32.384 12.172 1.00 140.04 337 1.B 2088 ? 1 -ATOM C CG GLN 1.B 1 337 . -48.453 31.553 10.942 1.00 133.68 337 1.B 2089 ? 1 -ATOM C CD GLN 1.B 1 337 . -49.919 31.634 10.566 1.00 137.68 337 1.B 2090 ? 1 -ATOM O OE1 GLN 1.B 1 337 . -50.634 32.539 10.997 1.00 139.37 337 1.B 2091 ? 1 -ATOM N NE2 GLN 1.B 1 337 . -50.375 30.685 9.756 1.00 139.12 337 1.B 2092 ? 1 -ATOM N N ASP 1.B 1 338 . -46.898 32.903 14.909 1.00 131.82 338 1.B 2093 ? 1 -ATOM C CA ASP 1.B 1 338 . -46.669 33.693 16.111 1.00 134.01 338 1.B 2094 ? 1 -ATOM C C ASP 1.B 1 338 . -45.181 33.913 16.330 1.00 130.95 338 1.B 2095 ? 1 -ATOM O O ASP 1.B 1 338 . -44.762 34.983 16.768 1.00 129.18 338 1.B 2096 ? 1 -ATOM C CB ASP 1.B 1 338 . -47.270 33.007 17.339 1.00 140.34 338 1.B 2097 ? 1 -ATOM C CG ASP 1.B 1 338 . -47.183 33.868 18.585 1.00 132.91 338 1.B 2098 ? 1 -ATOM O OD1 ASP 1.B 1 338 . -47.331 35.101 18.466 1.00 131.16 338 1.B 2099 ? 1 -ATOM O OD2 ASP 1.B 1 338 . -46.970 33.315 19.682 1.00 134.79 338 1.B 2100 ? 1 -ATOM N N PHE 1.B 1 339 . -44.381 32.898 16.027 1.00 134.18 339 1.B 2101 ? 1 -ATOM C CA PHE 1.B 1 339 . -42.949 33.015 16.228 1.00 133.65 339 1.B 2102 ? 1 -ATOM C C PHE 1.B 1 339 . -42.419 34.203 15.449 1.00 138.40 339 1.B 2103 ? 1 -ATOM O O PHE 1.B 1 339 . -42.041 35.212 16.042 1.00 125.51 339 1.B 2104 ? 1 -ATOM C CB PHE 1.B 1 339 . -42.215 31.743 15.818 1.00 131.69 339 1.B 2105 ? 1 -ATOM C CG PHE 1.B 1 339 . -40.795 31.693 16.296 1.00 126.50 339 1.B 2106 ? 1 -ATOM C CD1 PHE 1.B 1 339 . -40.513 31.583 17.645 1.00 128.16 339 1.B 2107 ? 1 -ATOM C CD2 PHE 1.B 1 339 . -39.745 31.762 15.401 1.00 124.48 339 1.B 2108 ? 1 -ATOM C CE1 PHE 1.B 1 339 . -39.215 31.539 18.094 1.00 127.92 339 1.B 2109 ? 1 -ATOM C CE2 PHE 1.B 1 339 . -38.442 31.717 15.844 1.00 124.08 339 1.B 2110 ? 1 -ATOM C CZ PHE 1.B 1 339 . -38.177 31.606 17.193 1.00 138.21 339 1.B 2111 ? 1 -ATOM N N VAL 1.B 1 340 . -42.405 34.091 14.123 1.00 136.23 340 1.B 2112 ? 1 -ATOM C CA VAL 1.B 1 340 . -41.879 35.164 13.285 1.00 134.54 340 1.B 2113 ? 1 -ATOM C C VAL 1.B 1 340 . -42.500 36.497 13.680 1.00 135.35 340 1.B 2114 ? 1 -ATOM O O VAL 1.B 1 340 . -41.819 37.521 13.716 1.00 118.36 340 1.B 2115 ? 1 -ATOM C CB VAL 1.B 1 340 . -42.113 34.904 11.784 1.00 132.11 340 1.B 2116 ? 1 -ATOM C CG1 VAL 1.B 1 340 . -41.467 33.592 11.366 1.00 131.98 340 1.B 2117 ? 1 -ATOM C CG2 VAL 1.B 1 340 . -43.596 34.898 11.465 1.00 132.56 340 1.B 2118 ? 1 -ATOM N N ASN 1.B 1 341 . -43.792 36.471 13.994 1.00 136.72 341 1.B 2119 ? 1 -ATOM C CA ASN 1.B 1 341 . -44.508 37.669 14.410 1.00 132.92 341 1.B 2120 ? 1 -ATOM C C ASN 1.B 1 341 . -43.855 38.316 15.622 1.00 132.08 341 1.B 2121 ? 1 -ATOM O O ASN 1.B 1 341 . -43.760 39.538 15.706 1.00 129.09 341 1.B 2122 ? 1 -ATOM C CB ASN 1.B 1 341 . -45.972 37.342 14.719 1.00 136.21 341 1.B 2123 ? 1 -ATOM C CG ASN 1.B 1 341 . -46.775 37.008 13.477 1.00 134.22 341 1.B 2124 ? 1 -ATOM O OD1 ASN 1.B 1 341 . -46.332 37.244 12.352 1.00 131.79 341 1.B 2125 ? 1 -ATOM N ND2 ASN 1.B 1 341 . -47.968 36.461 13.676 1.00 135.91 341 1.B 2126 ? 1 -ATOM N N LYS 1.B 1 342 . -43.405 37.487 16.559 1.00 121.82 342 1.B 2127 ? 1 -ATOM C CA LYS 1.B 1 342 . -42.776 37.974 17.781 1.00 121.75 342 1.B 2128 ? 1 -ATOM C C LYS 1.B 1 342 . -41.401 38.583 17.512 1.00 130.53 342 1.B 2129 ? 1 -ATOM O O LYS 1.B 1 342 . -40.858 39.305 18.351 1.00 129.34 342 1.B 2130 ? 1 -ATOM C CB LYS 1.B 1 342 . -42.661 36.847 18.812 1.00 124.00 342 1.B 2131 ? 1 -ATOM C CG LYS 1.B 1 342 . -43.993 36.374 19.389 1.00 126.51 342 1.B 2132 ? 1 -ATOM C CD LYS 1.B 1 342 . -44.672 37.461 20.218 1.00 126.78 342 1.B 2133 ? 1 -ATOM C CE LYS 1.B 1 342 . -45.954 36.953 20.868 1.00 129.60 342 1.B 2134 ? 1 -ATOM N NZ LYS 1.B 1 342 . -45.699 35.878 21.867 1.00 132.24 342 1.B 2135 ? 1 -ATOM N N CYS 1.B 1 343 . -40.840 38.286 16.343 1.00 129.44 343 1.B 2136 ? 1 -ATOM C CA CYS 1.B 1 343 . -39.536 38.817 15.963 1.00 116.76 343 1.B 2137 ? 1 -ATOM C C CYS 1.B 1 343 . -39.690 40.120 15.197 1.00 115.35 343 1.B 2138 ? 1 -ATOM O O CYS 1.B 1 343 . -38.864 41.021 15.308 1.00 114.30 343 1.B 2139 ? 1 -ATOM C CB CYS 1.B 1 343 . -38.784 37.816 15.091 1.00 116.42 343 1.B 2140 ? 1 -ATOM S SG CYS 1.B 1 343 . -38.721 36.143 15.743 1.00 125.11 343 1.B 2141 ? 1 -ATOM N N LEU 1.B 1 344 . -40.757 40.209 14.415 1.00 115.70 344 1.B 2142 ? 1 -ATOM C CA LEU 1.B 1 344 . -40.968 41.346 13.536 1.00 114.91 344 1.B 2143 ? 1 -ATOM C C LEU 1.B 1 344 . -41.810 42.443 14.177 1.00 115.35 344 1.B 2144 ? 1 -ATOM O O LEU 1.B 1 344 . -42.424 43.249 13.484 1.00 130.24 344 1.B 2145 ? 1 -ATOM C CB LEU 1.B 1 344 . -41.611 40.880 12.232 1.00 120.40 344 1.B 2146 ? 1 -ATOM C CG LEU 1.B 1 344 . -40.793 39.848 11.455 1.00 119.84 344 1.B 2147 ? 1 -ATOM C CD1 LEU 1.B 1 344 . -41.460 39.521 10.130 1.00 121.96 344 1.B 2148 ? 1 -ATOM C CD2 LEU 1.B 1 344 . -39.377 40.354 11.234 1.00 113.53 344 1.B 2149 ? 1 -ATOM N N ILE 1.B 1 345 . -41.843 42.472 15.502 1.00 128.42 345 1.B 2150 ? 1 -ATOM C CA ILE 1.B 1 345 . -42.507 43.556 16.210 1.00 116.22 345 1.B 2151 ? 1 -ATOM C C ILE 1.B 1 345 . -41.666 44.808 16.025 1.00 114.95 345 1.B 2152 ? 1 -ATOM O O ILE 1.B 1 345 . -40.535 44.877 16.498 1.00 114.30 345 1.B 2153 ? 1 -ATOM C CB ILE 1.B 1 345 . -42.632 43.251 17.704 1.00 117.30 345 1.B 2154 ? 1 -ATOM C CG1 ILE 1.B 1 345 . -43.080 41.806 17.910 1.00 118.75 345 1.B 2155 ? 1 -ATOM C CG2 ILE 1.B 1 345 . -43.601 44.210 18.362 1.00 118.04 345 1.B 2156 ? 1 -ATOM C CD1 ILE 1.B 1 345 . -43.087 41.378 19.358 1.00 133.96 345 1.B 2157 ? 1 -ATOM N N LYS 1.B 1 346 . -42.211 45.797 15.331 1.00 114.95 346 1.B 2158 ? 1 -ATOM C CA LYS 1.B 1 346 . -41.408 46.944 14.918 1.00 123.10 346 1.B 2159 ? 1 -ATOM C C LYS 1.B 1 346 . -40.811 47.750 16.075 1.00 122.22 346 1.B 2160 ? 1 -ATOM O O LYS 1.B 1 346 . -39.807 48.439 15.901 1.00 113.16 346 1.B 2161 ? 1 -ATOM C CB LYS 1.B 1 346 . -42.187 47.843 13.949 1.00 124.61 346 1.B 2162 ? 1 -ATOM C CG LYS 1.B 1 346 . -42.316 47.246 12.549 1.00 115.00 346 1.B 2163 ? 1 -ATOM C CD LYS 1.B 1 346 . -42.489 48.310 11.477 1.00 115.72 346 1.B 2164 ? 1 -ATOM C CE LYS 1.B 1 346 . -43.823 49.016 11.613 1.00 123.52 346 1.B 2165 ? 1 -ATOM N NZ LYS 1.B 1 346 . -44.104 49.904 10.453 1.00 124.93 346 1.B 2166 ? 1 -ATOM N N ASN 1.B 1 347 . -41.415 47.657 17.252 1.00 123.52 347 1.B 2167 ? 1 -ATOM C CA ASN 1.B 1 347 . -40.889 48.356 18.418 1.00 114.78 347 1.B 2168 ? 1 -ATOM C C ASN 1.B 1 347 . -39.915 47.483 19.202 1.00 114.91 347 1.B 2169 ? 1 -ATOM O O ASN 1.B 1 347 . -40.274 46.402 19.654 1.00 128.71 347 1.B 2170 ? 1 -ATOM C CB ASN 1.B 1 347 . -42.031 48.826 19.317 1.00 115.93 347 1.B 2171 ? 1 -ATOM C CG ASN 1.B 1 347 . -41.558 49.720 20.440 1.00 116.27 347 1.B 2172 ? 1 -ATOM O OD1 ASN 1.B 1 347 . -40.398 49.666 20.844 1.00 116.02 347 1.B 2173 ? 1 -ATOM N ND2 ASN 1.B 1 347 . -42.457 50.551 20.953 1.00 125.03 347 1.B 2174 ? 1 -ATOM N N PRO 1.B 1 348 . -38.670 47.951 19.362 1.00 114.44 348 1.B 2175 ? 1 -ATOM C CA PRO 1.B 1 348 . -37.617 47.191 20.041 1.00 114.90 348 1.B 2176 ? 1 -ATOM C C PRO 1.B 1 348 . -38.074 46.628 21.374 1.00 118.88 348 1.B 2177 ? 1 -ATOM O O PRO 1.B 1 348 . -38.106 45.412 21.547 1.00 118.67 348 1.B 2178 ? 1 -ATOM C CB PRO 1.B 1 348 . -36.535 48.243 20.276 1.00 124.96 348 1.B 2179 ? 1 -ATOM C CG PRO 1.B 1 348 . -36.708 49.194 19.161 1.00 124.66 348 1.B 2180 ? 1 -ATOM C CD PRO 1.B 1 348 . -38.184 49.254 18.881 1.00 126.37 348 1.B 2181 ? 1 -ATOM N N ALA 1.B 1 349 . -38.421 47.509 22.306 1.00 128.27 349 1.B 2182 ? 1 -ATOM C CA ALA 1.B 1 349 . -38.807 47.089 23.648 1.00 138.54 349 1.B 2183 ? 1 -ATOM C C ALA 1.B 1 349 . -39.929 46.054 23.628 1.00 146.18 349 1.B 2184 ? 1 -ATOM O O ALA 1.B 1 349 . -39.860 45.036 24.318 1.00 156.67 349 1.B 2185 ? 1 -ATOM C CB ALA 1.B 1 349 . -39.207 48.295 24.486 1.00 139.56 349 1.B 2186 ? 1 -ATOM N N GLU 1.B 1 350 . -40.958 46.317 22.831 1.00 134.09 350 1.B 2187 ? 1 -ATOM C CA GLU 1.B 1 350 . -42.108 45.427 22.751 1.00 135.86 350 1.B 2188 ? 1 -ATOM C C GLU 1.B 1 350 . -41.761 44.115 22.052 1.00 130.53 350 1.B 2189 ? 1 -ATOM O O GLU 1.B 1 350 . -42.509 43.145 22.149 1.00 130.77 350 1.B 2190 ? 1 -ATOM C CB GLU 1.B 1 350 . -43.267 46.114 22.025 1.00 146.37 350 1.B 2191 ? 1 -ATOM C CG GLU 1.B 1 350 . -43.718 47.423 22.658 1.00 158.39 350 1.B 2192 ? 1 -ATOM C CD GLU 1.B 1 350 . -44.573 48.264 21.720 1.00 169.21 350 1.B 2193 ? 1 -ATOM O OE1 GLU 1.B 1 350 . -44.808 47.830 20.572 1.00 172.79 350 1.B 2194 ? 1 -ATOM O OE2 GLU 1.B 1 350 . -45.008 49.363 22.128 1.00 172.80 350 1.B 2195 ? 1 -ATOM N N ARG 1.B 1 351 . -40.632 44.085 21.350 1.00 131.33 351 1.B 2196 ? 1 -ATOM C CA ARG 1.B 1 351 . -40.221 42.885 20.625 1.00 129.25 351 1.B 2197 ? 1 -ATOM C C ARG 1.B 1 351 . -39.723 41.801 21.574 1.00 131.48 351 1.B 2198 ? 1 -ATOM O O ARG 1.B 1 351 . -39.271 42.092 22.681 1.00 135.95 351 1.B 2199 ? 1 -ATOM C CB ARG 1.B 1 351 . -39.142 43.208 19.588 1.00 126.82 351 1.B 2200 ? 1 -ATOM C CG ARG 1.B 1 351 . -38.794 42.028 18.695 1.00 127.96 351 1.B 2201 ? 1 -ATOM C CD ARG 1.B 1 351 . -37.594 42.307 17.802 1.00 128.34 351 1.B 2202 ? 1 -ATOM N NE ARG 1.B 1 351 . -37.811 43.450 16.923 1.00 113.61 351 1.B 2203 ? 1 -ATOM C CZ ARG 1.B 1 351 . -37.083 44.559 16.951 1.00 112.94 351 1.B 2204 ? 1 -ATOM N NH1 ARG 1.B 1 351 . -36.083 44.671 17.810 1.00 113.31 351 1.B 2205 ? 1 -ATOM N NH2 ARG 1.B 1 351 . -37.347 45.550 16.116 1.00 112.25 351 1.B 2206 ? 1 -ATOM N N ALA 1.B 1 352 . -39.803 40.551 21.132 1.00 127.19 352 1.B 2207 ? 1 -ATOM C CA ALA 1.B 1 352 . -39.398 39.421 21.961 1.00 131.04 352 1.B 2208 ? 1 -ATOM C C ALA 1.B 1 352 . -37.896 39.420 22.208 1.00 132.06 352 1.B 2209 ? 1 -ATOM O O ALA 1.B 1 352 . -37.115 39.753 21.318 1.00 130.97 352 1.B 2210 ? 1 -ATOM C CB ALA 1.B 1 352 . -39.826 38.114 21.314 1.00 131.93 352 1.B 2211 ? 1 -ATOM N N ASP 1.B 1 353 . -37.493 39.053 23.420 1.00 143.33 353 1.B 2212 ? 1 -ATOM C CA ASP 1.B 1 353 . -36.076 38.885 23.719 1.00 147.82 353 1.B 2213 ? 1 -ATOM C C ASP 1.B 1 353 . -35.665 37.433 23.492 1.00 147.05 353 1.B 2214 ? 1 -ATOM O O ASP 1.B 1 353 . -36.516 36.569 23.265 1.00 144.22 353 1.B 2215 ? 1 -ATOM C CB ASP 1.B 1 353 . -35.733 39.355 25.140 1.00 153.71 353 1.B 2216 ? 1 -ATOM C CG ASP 1.B 1 353 . -36.642 38.754 26.199 1.00 159.15 353 1.B 2217 ? 1 -ATOM O OD1 ASP 1.B 1 353 . -37.039 37.579 26.056 1.00 162.15 353 1.B 2218 ? 1 -ATOM O OD2 ASP 1.B 1 353 . -36.947 39.459 27.186 1.00 159.92 353 1.B 2219 ? 1 -ATOM N N LEU 1.B 1 354 . -34.364 37.168 23.539 1.00 135.19 354 1.B 2220 ? 1 -ATOM C CA LEU 1.B 1 354 . -33.858 35.831 23.253 1.00 134.77 354 1.B 2221 ? 1 -ATOM C C LEU 1.B 1 354 . -34.387 34.801 24.245 1.00 137.98 354 1.B 2222 ? 1 -ATOM O O LEU 1.B 1 354 . -34.178 33.602 24.073 1.00 144.57 354 1.B 2223 ? 1 -ATOM C CB LEU 1.B 1 354 . -32.327 35.816 23.216 1.00 137.52 354 1.B 2224 ? 1 -ATOM C CG LEU 1.B 1 354 . -31.660 36.470 22.002 1.00 136.01 354 1.B 2225 ? 1 -ATOM C CD1 LEU 1.B 1 354 . -30.172 36.148 21.961 1.00 127.15 354 1.B 2226 ? 1 -ATOM C CD2 LEU 1.B 1 354 . -32.336 36.026 20.715 1.00 124.18 354 1.B 2227 ? 1 -ATOM N N LYS 1.B 1 355 . -35.073 35.272 25.282 1.00 139.60 355 1.B 2228 ? 1 -ATOM C CA LYS 1.B 1 355 . -35.712 34.371 26.233 1.00 142.03 355 1.B 2229 ? 1 -ATOM C C LYS 1.B 1 355 . -37.082 33.930 25.728 1.00 138.82 355 1.B 2230 ? 1 -ATOM O O LYS 1.B 1 355 . -37.294 32.752 25.448 1.00 139.57 355 1.B 2231 ? 1 -ATOM C CB LYS 1.B 1 355 . -35.849 35.019 27.610 1.00 144.07 355 1.B 2232 ? 1 -ATOM C CG LYS 1.B 1 355 . -36.640 34.163 28.588 1.00 151.69 355 1.B 2233 ? 1 -ATOM C CD LYS 1.B 1 355 . -36.862 34.856 29.922 1.00 155.16 355 1.B 2234 ? 1 -ATOM C CE LYS 1.B 1 355 . -37.610 33.943 30.883 1.00 158.24 355 1.B 2235 ? 1 -ATOM N NZ LYS 1.B 1 355 . -37.727 34.532 32.246 1.00 161.01 355 1.B 2236 ? 1 -ATOM N N GLN 1.B 1 356 . -38.008 34.879 25.617 1.00 136.27 356 1.B 2237 ? 1 -ATOM C CA GLN 1.B 1 356 . -39.359 34.579 25.152 1.00 136.06 356 1.B 2238 ? 1 -ATOM C C GLN 1.B 1 356 . -39.318 33.594 23.990 1.00 149.10 356 1.B 2239 ? 1 -ATOM O O GLN 1.B 1 356 . -40.101 32.645 23.937 1.00 137.15 356 1.B 2240 ? 1 -ATOM C CB GLN 1.B 1 356 . -40.083 35.856 24.713 1.00 133.25 356 1.B 2241 ? 1 -ATOM C CG GLN 1.B 1 356 . -40.035 37.001 25.715 1.00 155.33 356 1.B 2242 ? 1 -ATOM C CD GLN 1.B 1 356 . -40.678 38.276 25.179 1.00 151.07 356 1.B 2243 ? 1 -ATOM O OE1 GLN 1.B 1 356 . -41.559 38.227 24.320 1.00 151.20 356 1.B 2244 ? 1 -ATOM N NE2 GLN 1.B 1 356 . -40.237 39.425 25.689 1.00 148.20 356 1.B 2245 ? 1 -ATOM N N LEU 1.B 1 357 . -38.393 33.827 23.064 1.00 135.91 357 1.B 2246 ? 1 -ATOM C CA LEU 1.B 1 357 . -38.278 33.007 21.864 1.00 133.60 357 1.B 2247 ? 1 -ATOM C C LEU 1.B 1 357 . -37.797 31.601 22.191 1.00 134.43 357 1.B 2248 ? 1 -ATOM O O LEU 1.B 1 357 . -38.323 30.618 21.672 1.00 142.98 357 1.B 2249 ? 1 -ATOM C CB LEU 1.B 1 357 . -37.326 33.659 20.860 1.00 131.60 357 1.B 2250 ? 1 -ATOM C CG LEU 1.B 1 357 . -37.708 35.050 20.350 1.00 133.26 357 1.B 2251 ? 1 -ATOM C CD1 LEU 1.B 1 357 . -36.647 35.564 19.395 1.00 134.07 357 1.B 2252 ? 1 -ATOM C CD2 LEU 1.B 1 357 . -39.071 35.029 19.677 1.00 124.97 357 1.B 2253 ? 1 -ATOM N N MET 1.B 1 358 . -36.794 31.518 23.057 1.00 136.39 358 1.B 2254 ? 1 -ATOM C CA MET 1.B 1 358 . -36.195 30.244 23.439 1.00 145.04 358 1.B 2255 ? 1 -ATOM C C MET 1.B 1 358 . -37.225 29.301 24.054 1.00 149.56 358 1.B 2256 ? 1 -ATOM O O MET 1.B 1 358 . -37.057 28.083 24.030 1.00 145.61 358 1.B 2257 ? 1 -ATOM C CB MET 1.B 1 358 . -35.051 30.485 24.425 1.00 145.55 358 1.B 2258 ? 1 -ATOM C CG MET 1.B 1 358 . -34.105 29.314 24.587 1.00 149.24 358 1.B 2259 ? 1 -ATOM S SD MET 1.B 1 358 . -33.112 29.017 23.112 1.00 165.46 358 1.B 2260 ? 1 -ATOM C CE MET 1.B 1 358 . -32.097 27.650 23.674 1.00 155.13 358 1.B 2261 ? 1 -ATOM N N VAL 1.B 1 359 . -38.294 29.876 24.598 1.00 151.03 359 1.B 2262 ? 1 -ATOM C CA VAL 1.B 1 359 . -39.336 29.106 25.269 1.00 155.38 359 1.B 2263 ? 1 -ATOM C C VAL 1.B 1 359 . -40.699 29.295 24.606 1.00 153.71 359 1.B 2264 ? 1 -ATOM O O VAL 1.B 1 359 . -41.735 29.006 25.204 1.00 148.49 359 1.B 2265 ? 1 -ATOM C CB VAL 1.B 1 359 . -39.450 29.503 26.751 1.00 150.26 359 1.B 2266 ? 1 -ATOM C CG1 VAL 1.B 1 359 . -38.079 29.485 27.407 1.00 151.78 359 1.B 2267 ? 1 -ATOM C CG2 VAL 1.B 1 359 . -40.083 30.878 26.883 1.00 147.76 359 1.B 2268 ? 1 -ATOM N N HIS 1.B 1 360 . -40.689 29.780 23.368 1.00 149.86 360 1.B 2269 ? 1 -ATOM C CA HIS 1.B 1 360 . -41.919 30.011 22.619 1.00 140.63 360 1.B 2270 ? 1 -ATOM C C HIS 1.B 1 360 . -42.512 28.696 22.126 1.00 144.10 360 1.B 2271 ? 1 -ATOM O O HIS 1.B 1 360 . -41.784 27.767 21.777 1.00 143.56 360 1.B 2272 ? 1 -ATOM C CB HIS 1.B 1 360 . -41.652 30.945 21.438 1.00 143.39 360 1.B 2273 ? 1 -ATOM C CG HIS 1.B 1 360 . -42.861 31.223 20.596 1.00 145.33 360 1.B 2274 ? 1 -ATOM N ND1 HIS 1.B 1 360 . -43.304 30.358 19.623 1.00 146.87 360 1.B 2275 ? 1 -ATOM C CD2 HIS 1.B 1 360 . -43.708 32.279 20.578 1.00 135.76 360 1.B 2276 ? 1 -ATOM C CE1 HIS 1.B 1 360 . -44.379 30.862 19.042 1.00 136.56 360 1.B 2277 ? 1 -ATOM N NE2 HIS 1.B 1 360 . -44.645 32.029 19.604 1.00 136.28 360 1.B 2278 ? 1 -ATOM N N ALA 1.B 1 361 . -43.839 28.629 22.099 1.00 144.13 361 1.B 2279 ? 1 -ATOM C CA ALA 1.B 1 361 . -44.548 27.423 21.684 1.00 146.70 361 1.B 2280 ? 1 -ATOM C C ALA 1.B 1 361 . -43.907 26.759 20.472 1.00 145.21 361 1.B 2281 ? 1 -ATOM O O ALA 1.B 1 361 . -43.744 25.542 20.439 1.00 147.79 361 1.B 2282 ? 1 -ATOM C CB ALA 1.B 1 361 . -46.008 27.740 21.403 1.00 147.11 361 1.B 2283 ? 1 -ATOM N N PHE 1.B 1 362 . -43.545 27.563 19.478 1.00 156.69 362 1.B 2284 ? 1 -ATOM C CA PHE 1.B 1 362 . -42.944 27.037 18.258 1.00 155.15 362 1.B 2285 ? 1 -ATOM C C PHE 1.B 1 362 . -41.594 26.385 18.533 1.00 156.91 362 1.B 2286 ? 1 -ATOM O O PHE 1.B 1 362 . -41.358 25.240 18.146 1.00 163.10 362 1.B 2287 ? 1 -ATOM C CB PHE 1.B 1 362 . -42.787 28.139 17.212 1.00 150.33 362 1.B 2288 ? 1 -ATOM C CG PHE 1.B 1 362 . -41.893 27.760 16.066 1.00 149.18 362 1.B 2289 ? 1 -ATOM C CD1 PHE 1.B 1 362 . -42.328 26.878 15.091 1.00 149.20 362 1.B 2290 ? 1 -ATOM C CD2 PHE 1.B 1 362 . -40.616 28.288 15.962 1.00 145.61 362 1.B 2291 ? 1 -ATOM C CE1 PHE 1.B 1 362 . -41.506 26.529 14.035 1.00 145.99 362 1.B 2292 ? 1 -ATOM C CE2 PHE 1.B 1 362 . -39.790 27.944 14.908 1.00 140.92 362 1.B 2293 ? 1 -ATOM C CZ PHE 1.B 1 362 . -40.236 27.063 13.944 1.00 141.41 362 1.B 2294 ? 1 -ATOM N N ILE 1.B 1 363 . -40.711 27.121 19.198 1.00 142.16 363 1.B 2295 ? 1 -ATOM C CA ILE 1.B 1 363 . -39.386 26.610 19.524 1.00 139.96 363 1.B 2296 ? 1 -ATOM C C ILE 1.B 1 363 . -39.473 25.315 20.321 1.00 144.39 363 1.B 2297 ? 1 -ATOM O O ILE 1.B 1 363 . -38.744 24.361 20.051 1.00 149.37 363 1.B 2298 ? 1 -ATOM C CB ILE 1.B 1 363 . -38.560 27.639 20.310 1.00 140.65 363 1.B 2299 ? 1 -ATOM C CG1 ILE 1.B 1 363 . -37.918 28.639 19.350 1.00 140.05 363 1.B 2300 ? 1 -ATOM C CG2 ILE 1.B 1 363 . -37.483 26.947 21.120 1.00 141.34 363 1.B 2301 ? 1 -ATOM C CD1 ILE 1.B 1 363 . -36.967 28.007 18.355 1.00 140.34 363 1.B 2302 ? 1 -ATOM N N LYS 1.B 1 364 . -40.370 25.285 21.299 1.00 156.80 364 1.B 2303 ? 1 -ATOM C CA LYS 1.B 1 364 . -40.553 24.098 22.123 1.00 167.30 364 1.B 2304 ? 1 -ATOM C C LYS 1.B 1 364 . -40.883 22.880 21.267 1.00 170.44 364 1.B 2305 ? 1 -ATOM O O LYS 1.B 1 364 . -40.348 21.792 21.484 1.00 176.97 364 1.B 2306 ? 1 -ATOM C CB LYS 1.B 1 364 . -41.654 24.332 23.160 1.00 174.65 364 1.B 2307 ? 1 -ATOM C CG LYS 1.B 1 364 . -41.433 25.562 24.026 1.00 176.97 364 1.B 2308 ? 1 -ATOM C CD LYS 1.B 1 364 . -42.442 25.632 25.162 1.00 182.85 364 1.B 2309 ? 1 -ATOM C CE LYS 1.B 1 364 . -43.868 25.660 24.639 1.00 183.53 364 1.B 2310 ? 1 -ATOM N NZ LYS 1.B 1 364 . -44.862 25.714 25.747 1.00 187.65 364 1.B 2311 ? 1 -ATOM N N ARG 1.B 1 365 . -41.760 23.069 20.288 1.00 159.65 365 1.B 2312 ? 1 -ATOM C CA ARG 1.B 1 365 . -42.184 21.971 19.429 1.00 160.09 365 1.B 2313 ? 1 -ATOM C C ARG 1.B 1 365 . -41.031 21.431 18.593 1.00 156.75 365 1.B 2314 ? 1 -ATOM O O ARG 1.B 1 365 . -40.653 20.267 18.716 1.00 160.56 365 1.B 2315 ? 1 -ATOM C CB ARG 1.B 1 365 . -43.320 22.415 18.508 1.00 159.87 365 1.B 2316 ? 1 -ATOM C CG ARG 1.B 1 365 . -43.848 21.310 17.607 1.00 165.48 365 1.B 2317 ? 1 -ATOM C CD ARG 1.B 1 365 . -44.609 21.885 16.432 1.00 168.02 365 1.B 2318 ? 1 -ATOM N NE ARG 1.B 1 365 . -43.760 22.764 15.634 1.00 170.50 365 1.B 2319 ? 1 -ATOM C CZ ARG 1.B 1 365 . -44.172 23.441 14.567 1.00 170.61 365 1.B 2320 ? 1 -ATOM N NH1 ARG 1.B 1 365 . -45.431 23.343 14.162 1.00 174.51 365 1.B 2321 ? 1 -ATOM N NH2 ARG 1.B 1 365 . -43.324 24.215 13.905 1.00 164.11 365 1.B 2322 ? 1 -ATOM N N SER 1.B 1 366 . -40.477 22.288 17.742 1.00 154.64 366 1.B 2323 ? 1 -ATOM C CA SER 1.B 1 366 . -39.446 21.879 16.794 1.00 146.41 366 1.B 2324 ? 1 -ATOM C C SER 1.B 1 366 . -38.239 21.229 17.467 1.00 148.05 366 1.B 2325 ? 1 -ATOM O O SER 1.B 1 366 . -37.521 20.447 16.845 1.00 147.76 366 1.B 2326 ? 1 -ATOM C CB SER 1.B 1 366 . -38.995 23.072 15.950 1.00 140.89 366 1.B 2327 ? 1 -ATOM O OG SER 1.B 1 366 . -40.084 23.621 15.229 1.00 139.48 366 1.B 2328 ? 1 -ATOM N N ASP 1.B 1 367 . -38.017 21.552 18.735 1.00 149.22 367 1.B 2329 ? 1 -ATOM C CA ASP 1.B 1 367 . -36.872 21.009 19.449 1.00 151.64 367 1.B 2330 ? 1 -ATOM C C ASP 1.B 1 367 . -37.033 19.511 19.676 1.00 161.31 367 1.B 2331 ? 1 -ATOM O O ASP 1.B 1 367 . -36.050 18.783 19.816 1.00 164.82 367 1.B 2332 ? 1 -ATOM C CB ASP 1.B 1 367 . -36.678 21.722 20.785 1.00 162.27 367 1.B 2333 ? 1 -ATOM C CG ASP 1.B 1 367 . -35.326 21.432 21.403 1.00 164.19 367 1.B 2334 ? 1 -ATOM O OD1 ASP 1.B 1 367 . -34.335 21.360 20.647 1.00 162.59 367 1.B 2335 ? 1 -ATOM O OD2 ASP 1.B 1 367 . -35.252 21.279 22.641 1.00 167.79 367 1.B 2336 ? 1 -ATOM N N ALA 1.B 1 368 . -38.280 19.057 19.713 1.00 182.79 368 1.B 2337 ? 1 -ATOM C CA ALA 1.B 1 368 . -38.574 17.647 19.923 1.00 192.11 368 1.B 2338 ? 1 -ATOM C C ALA 1.B 1 368 . -38.981 16.986 18.612 1.00 193.12 368 1.B 2339 ? 1 -ATOM O O ALA 1.B 1 368 . -39.095 15.764 18.527 1.00 194.90 368 1.B 2340 ? 1 -ATOM C CB ALA 1.B 1 368 . -39.671 17.488 20.961 1.00 198.12 368 1.B 2341 ? 1 -ATOM N N GLU 1.B 1 369 . -39.193 17.809 17.591 1.00 190.27 369 1.B 2342 ? 1 -ATOM C CA GLU 1.B 1 369 . -39.661 17.330 16.297 1.00 193.03 369 1.B 2343 ? 1 -ATOM C C GLU 1.B 1 369 . -38.569 16.554 15.562 1.00 195.31 369 1.B 2344 ? 1 -ATOM O O GLU 1.B 1 369 . -37.607 17.139 15.064 1.00 192.58 369 1.B 2345 ? 1 -ATOM C CB GLU 1.B 1 369 . -40.145 18.509 15.449 1.00 189.32 369 1.B 2346 ? 1 -ATOM C CG GLU 1.B 1 369 . -41.138 18.142 14.361 1.00 189.63 369 1.B 2347 ? 1 -ATOM C CD GLU 1.B 1 369 . -41.744 19.363 13.697 1.00 186.08 369 1.B 2348 ? 1 -ATOM O OE1 GLU 1.B 1 369 . -41.283 20.487 13.986 1.00 183.09 369 1.B 2349 ? 1 -ATOM O OE2 GLU 1.B 1 369 . -42.681 19.201 12.888 1.00 186.30 369 1.B 2350 ? 1 -ATOM N N GLU 1.B 1 370 . -38.724 15.235 15.503 1.00 200.48 370 1.B 2351 ? 1 -ATOM C CA GLU 1.B 1 370 . -37.751 14.371 14.839 1.00 201.51 370 1.B 2352 ? 1 -ATOM C C GLU 1.B 1 370 . -37.636 14.694 13.355 1.00 197.86 370 1.B 2353 ? 1 -ATOM O O GLU 1.B 1 370 . -38.544 14.408 12.573 1.00 198.53 370 1.B 2354 ? 1 -ATOM C CB GLU 1.B 1 370 . -38.118 12.896 15.028 1.00 206.68 370 1.B 2355 ? 1 -ATOM C CG GLU 1.B 1 370 . -37.852 12.357 16.425 1.00 210.18 370 1.B 2356 ? 1 -ATOM C CD GLU 1.B 1 370 . -38.206 10.888 16.562 1.00 215.41 370 1.B 2357 ? 1 -ATOM O OE1 GLU 1.B 1 370 . -39.007 10.387 15.745 1.00 215.37 370 1.B 2358 ? 1 -ATOM O OE2 GLU 1.B 1 370 . -37.685 10.235 17.491 1.00 220.19 370 1.B 2359 ? 1 -ATOM N N VAL 1.B 1 371 . -36.511 15.287 12.971 1.00 189.18 371 1.B 2360 ? 1 -ATOM C CA VAL 1.B 1 371 . -36.300 15.697 11.591 1.00 189.81 371 1.B 2361 ? 1 -ATOM C C VAL 1.B 1 371 . -34.988 15.159 11.031 1.00 195.27 371 1.B 2362 ? 1 -ATOM O O VAL 1.B 1 371 . -33.917 15.411 11.584 1.00 193.50 371 1.B 2363 ? 1 -ATOM C CB VAL 1.B 1 371 . -36.308 17.230 11.459 1.00 185.72 371 1.B 2364 ? 1 -ATOM C CG1 VAL 1.B 1 371 . -35.934 17.642 10.045 1.00 183.80 371 1.B 2365 ? 1 -ATOM C CG2 VAL 1.B 1 371 . -37.669 17.789 11.843 1.00 186.33 371 1.B 2366 ? 1 -ATOM N N ASP 1.B 1 372 . -35.082 14.414 9.933 1.00 212.80 372 1.B 2367 ? 1 -ATOM C CA ASP 1.B 1 372 . -33.901 13.921 9.235 1.00 216.21 372 1.B 2368 ? 1 -ATOM C C ASP 1.B 1 372 . -33.253 15.058 8.454 1.00 208.92 372 1.B 2369 ? 1 -ATOM O O ASP 1.B 1 372 . -33.213 15.037 7.224 1.00 205.75 372 1.B 2370 ? 1 -ATOM C CB ASP 1.B 1 372 . -34.269 12.775 8.287 1.00 223.25 372 1.B 2371 ? 1 -ATOM C CG ASP 1.B 1 372 . -34.699 11.518 9.025 1.00 231.10 372 1.B 2372 ? 1 -ATOM O OD1 ASP 1.B 1 372 . -34.574 11.481 10.267 1.00 235.19 372 1.B 2373 ? 1 -ATOM O OD2 ASP 1.B 1 372 . -35.159 10.564 8.362 1.00 232.33 372 1.B 2374 ? 1 -ATOM N N PHE 1.B 1 373 . -32.753 16.050 9.185 1.00 198.14 373 1.B 2375 ? 1 -ATOM C CA PHE 1.B 1 373 . -32.175 17.251 8.592 1.00 194.00 373 1.B 2376 ? 1 -ATOM C C PHE 1.B 1 373 . -31.199 16.930 7.467 1.00 193.77 373 1.B 2377 ? 1 -ATOM O O PHE 1.B 1 373 . -31.521 17.083 6.290 1.00 190.55 373 1.B 2378 ? 1 -ATOM C CB PHE 1.B 1 373 . -31.468 18.081 9.664 1.00 193.00 373 1.B 2379 ? 1 -ATOM C CG PHE 1.B 1 373 . -31.019 19.431 9.186 1.00 190.94 373 1.B 2380 ? 1 -ATOM C CD1 PHE 1.B 1 373 . -29.874 19.565 8.419 1.00 190.75 373 1.B 2381 ? 1 -ATOM C CD2 PHE 1.B 1 373 . -31.744 20.568 9.500 1.00 190.09 373 1.B 2382 ? 1 -ATOM C CE1 PHE 1.B 1 373 . -29.459 20.806 7.977 1.00 187.95 373 1.B 2383 ? 1 -ATOM C CE2 PHE 1.B 1 373 . -31.333 21.813 9.061 1.00 187.56 373 1.B 2384 ? 1 -ATOM C CZ PHE 1.B 1 373 . -30.189 21.932 8.298 1.00 185.68 373 1.B 2385 ? 1 -ATOM N N ALA 1.B 1 374 . -30.001 16.492 7.842 1.00 195.78 374 1.B 2386 ? 1 -ATOM C CA ALA 1.B 1 374 . -28.974 16.140 6.872 1.00 198.63 374 1.B 2387 ? 1 -ATOM C C ALA 1.B 1 374 . -29.528 15.208 5.800 1.00 206.84 374 1.B 2388 ? 1 -ATOM O O ALA 1.B 1 374 . -29.071 15.223 4.656 1.00 204.85 374 1.B 2389 ? 1 -ATOM C CB ALA 1.B 1 374 . -27.787 15.502 7.571 1.00 199.95 374 1.B 2390 ? 1 -ATOM N N GLY 1.B 1 375 . -30.515 14.400 6.177 1.00 225.14 375 1.B 2391 ? 1 -ATOM C CA GLY 1.B 1 375 . -31.145 13.472 5.255 1.00 229.86 375 1.B 2392 ? 1 -ATOM C C GLY 1.B 1 375 . -31.748 14.175 4.055 1.00 229.71 375 1.B 2393 ? 1 -ATOM O O GLY 1.B 1 375 . -31.208 14.110 2.951 1.00 229.41 375 1.B 2394 ? 1 -ATOM N N TRP 1.B 1 376 . -32.873 14.850 4.272 1.00 229.62 376 1.B 2395 ? 1 -ATOM C CA TRP 1.B 1 376 . -33.522 15.614 3.212 1.00 228.73 376 1.B 2396 ? 1 -ATOM C C TRP 1.B 1 376 . -32.589 16.695 2.674 1.00 220.42 376 1.B 2397 ? 1 -ATOM O O TRP 1.B 1 376 . -32.681 17.087 1.511 1.00 220.96 376 1.B 2398 ? 1 -ATOM C CB TRP 1.B 1 376 . -34.823 16.239 3.719 1.00 232.95 376 1.B 2399 ? 1 -ATOM C CG TRP 1.B 1 376 . -35.475 17.168 2.736 1.00 233.20 376 1.B 2400 ? 1 -ATOM C CD1 TRP 1.B 1 376 . -36.460 16.859 1.842 1.00 236.30 376 1.B 2401 ? 1 -ATOM C CD2 TRP 1.B 1 376 . -35.190 18.562 2.551 1.00 228.07 376 1.B 2402 ? 1 -ATOM N NE1 TRP 1.B 1 376 . -36.803 17.972 1.112 1.00 234.78 376 1.B 2403 ? 1 -ATOM C CE2 TRP 1.B 1 376 . -36.038 19.031 1.528 1.00 229.08 376 1.B 2404 ? 1 -ATOM C CE3 TRP 1.B 1 376 . -34.297 19.458 3.150 1.00 220.78 376 1.B 2405 ? 1 -ATOM C CZ2 TRP 1.B 1 376 . -36.022 20.355 1.092 1.00 223.29 376 1.B 2406 ? 1 -ATOM C CZ3 TRP 1.B 1 376 . -34.283 20.771 2.715 1.00 216.59 376 1.B 2407 ? 1 -ATOM C CH2 TRP 1.B 1 376 . -35.139 21.207 1.697 1.00 218.15 376 1.B 2408 ? 1 -ATOM N N LEU 1.B 1 377 . -31.696 17.178 3.531 1.00 200.91 377 1.B 2409 ? 1 -ATOM C CA LEU 1.B 1 377 . -30.693 18.153 3.124 1.00 194.13 377 1.B 2410 ? 1 -ATOM C C LEU 1.B 1 377 . -30.018 17.701 1.835 1.00 195.45 377 1.B 2411 ? 1 -ATOM O O LEU 1.B 1 377 . -30.110 18.369 0.805 1.00 193.61 377 1.B 2412 ? 1 -ATOM C CB LEU 1.B 1 377 . -29.650 18.334 4.230 1.00 190.63 377 1.B 2413 ? 1 -ATOM C CG LEU 1.B 1 377 . -28.328 19.029 3.889 1.00 185.61 377 1.B 2414 ? 1 -ATOM C CD1 LEU 1.B 1 377 . -28.545 20.477 3.473 1.00 180.22 377 1.B 2415 ? 1 -ATOM C CD2 LEU 1.B 1 377 . -27.374 18.949 5.072 1.00 186.12 377 1.B 2416 ? 1 -ATOM N N CYS 1.B 1 378 . -29.353 16.552 1.899 1.00 207.70 378 1.B 2417 ? 1 -ATOM C CA CYS 1.B 1 378 . -28.639 16.010 0.750 1.00 207.74 378 1.B 2418 ? 1 -ATOM C C CYS 1.B 1 378 . -29.602 15.401 -0.264 1.00 207.40 378 1.B 2419 ? 1 -ATOM O O CYS 1.B 1 378 . -29.184 14.743 -1.216 1.00 207.40 378 1.B 2420 ? 1 -ATOM C CB CYS 1.B 1 378 . -27.614 14.971 1.205 1.00 210.27 378 1.B 2421 ? 1 -ATOM S SG CYS 1.B 1 378 . -26.481 15.573 2.481 1.00 170.88 378 1.B 2422 ? 1 -ATOM N N SER 1.B 1 379 . -30.895 15.623 -0.049 1.00 207.69 379 1.B 2423 ? 1 -ATOM C CA SER 1.B 1 379 . -31.922 15.159 -0.972 1.00 209.06 379 1.B 2424 ? 1 -ATOM C C SER 1.B 1 379 . -32.515 16.335 -1.740 1.00 207.00 379 1.B 2425 ? 1 -ATOM O O SER 1.B 1 379 . -33.542 16.203 -2.407 1.00 209.98 379 1.B 2426 ? 1 -ATOM C CB SER 1.B 1 379 . -33.025 14.411 -0.221 1.00 212.19 379 1.B 2427 ? 1 -ATOM O OG SER 1.B 1 379 . -32.519 13.242 0.399 1.00 214.91 379 1.B 2428 ? 1 -ATOM N N THR 1.B 1 380 . -31.865 17.489 -1.632 1.00 194.89 380 1.B 2429 ? 1 -ATOM C CA THR 1.B 1 380 . -32.291 18.681 -2.354 1.00 192.23 380 1.B 2430 ? 1 -ATOM C C THR 1.B 1 380 . -31.110 19.309 -3.079 1.00 192.12 380 1.B 2431 ? 1 -ATOM O O THR 1.B 1 380 . -31.219 19.705 -4.238 1.00 192.96 380 1.B 2432 ? 1 -ATOM C CB THR 1.B 1 380 . -32.923 19.719 -1.414 1.00 189.16 380 1.B 2433 ? 1 -ATOM O OG1 THR 1.B 1 380 . -34.257 19.314 -1.087 1.00 191.90 380 1.B 2434 ? 1 -ATOM C CG2 THR 1.B 1 380 . -32.972 21.081 -2.083 1.00 186.44 380 1.B 2435 ? 1 -ATOM N N ILE 1.B 1 381 . -29.980 19.393 -2.387 1.00 201.05 381 1.B 2436 ? 1 -ATOM C CA ILE 1.B 1 381 . -28.758 19.909 -2.987 1.00 203.45 381 1.B 2437 ? 1 -ATOM C C ILE 1.B 1 381 . -27.796 18.765 -3.275 1.00 205.49 381 1.B 2438 ? 1 -ATOM O O ILE 1.B 1 381 . -26.729 18.967 -3.854 1.00 206.05 381 1.B 2439 ? 1 -ATOM C CB ILE 1.B 1 381 . -28.069 20.933 -2.072 1.00 204.51 381 1.B 2440 ? 1 -ATOM C CG1 ILE 1.B 1 381 . -27.701 20.288 -0.735 1.00 205.10 381 1.B 2441 ? 1 -ATOM C CG2 ILE 1.B 1 381 . -28.967 22.142 -1.856 1.00 205.28 381 1.B 2442 ? 1 -ATOM C CD1 ILE 1.B 1 381 . -27.054 21.242 0.245 1.00 203.34 381 1.B 2443 ? 1 -ATOM N N GLY 1.B 1 382 . -28.182 17.561 -2.866 1.00 202.07 382 1.B 2444 ? 1 -ATOM C CA GLY 1.B 1 382 . -27.363 16.384 -3.082 1.00 204.28 382 1.B 2445 ? 1 -ATOM C C GLY 1.B 1 382 . -26.145 16.352 -2.180 1.00 205.71 382 1.B 2446 ? 1 -ATOM O O GLY 1.B 1 382 . -26.187 16.833 -1.048 1.00 204.76 382 1.B 2447 ? 1 -ATOM N N LEU 1.B 1 383 . -25.057 15.783 -2.690 1.00 210.64 383 1.B 2448 ? 1 -ATOM C CA LEU 1.B 1 383 . -23.814 15.664 -1.935 1.00 209.98 383 1.B 2449 ? 1 -ATOM C C LEU 1.B 1 383 . -24.023 14.898 -0.632 1.00 212.59 383 1.B 2450 ? 1 -ATOM O O LEU 1.B 1 383 . -24.283 13.694 -0.642 1.00 214.32 383 1.B 2451 ? 1 -ATOM C CB LEU 1.B 1 383 . -23.219 17.047 -1.654 1.00 205.40 383 1.B 2452 ? 1 -HETATM P PG ATP 1.E 2 . . -21.775 39.818 3.823 1.00 174.21 1 1.E 2453 ? 1 -HETATM O O1G ATP 1.E 2 . . -20.336 39.364 3.752 1.00 173.33 1 1.E 2454 ? 1 -HETATM O O2G ATP 1.E 2 . . -21.964 41.307 3.659 1.00 172.02 1 1.E 2455 ? 1 -HETATM O O3G ATP 1.E 2 . . -22.568 39.199 4.950 1.00 174.37 1 1.E 2456 ? 1 -HETATM P PB ATP 1.E 2 . . -22.339 37.620 2.195 1.00 114.81 1 1.E 2457 ? 1 -HETATM O O1B ATP 1.E 2 . . -22.173 36.877 3.500 1.00 110.13 1 1.E 2458 ? 1 -HETATM O O2B ATP 1.E 2 . . -23.464 37.258 1.253 1.00 113.07 1 1.E 2459 ? 1 -HETATM O O3B ATP 1.E 2 . . -22.433 39.199 2.491 1.00 305.24 1 1.E 2460 ? 1 -HETATM P PA ATP 1.E 2 . . -19.725 36.618 1.696 1.00 174.17 1 1.E 2461 ? 1 -HETATM O O1A ATP 1.E 2 . . -18.517 37.193 0.998 1.00 174.76 1 1.E 2462 ? 1 -HETATM O O2A ATP 1.E 2 . . -19.677 36.397 3.187 1.00 174.10 1 1.E 2463 ? 1 -HETATM O O3A ATP 1.E 2 . . -20.968 37.583 1.349 1.00 280.07 1 1.E 2464 ? 1 -HETATM O O5' ATP 1.E 2 . . -20.102 35.230 0.973 1.00 130.06 1 1.E 2465 ? 1 -HETATM C C5' ATP 1.E 2 . . -21.407 34.675 1.101 1.00 132.87 1 1.E 2466 ? 1 -HETATM C C4' ATP 1.E 2 . . -21.419 33.298 0.456 1.00 136.66 1 1.E 2467 ? 1 -HETATM O O4' ATP 1.E 2 . . -20.163 32.653 0.677 1.00 135.09 1 1.E 2468 ? 1 -HETATM C C3' ATP 1.E 2 . . -22.503 32.424 1.062 1.00 140.26 1 1.E 2469 ? 1 -HETATM O O3' ATP 1.E 2 . . -23.436 32.038 0.047 1.00 143.11 1 1.E 2470 ? 1 -HETATM C C2' ATP 1.E 2 . . -21.787 31.212 1.629 1.00 136.51 1 1.E 2471 ? 1 -HETATM O O2' ATP 1.E 2 . . -22.362 29.996 1.147 1.00 136.72 1 1.E 2472 ? 1 -HETATM C C1' ATP 1.E 2 . . -20.346 31.326 1.168 1.00 134.26 1 1.E 2473 ? 1 -HETATM N N9 ATP 1.E 2 . . -19.465 31.132 2.338 1.00 136.44 1 1.E 2474 ? 1 -HETATM C C8 ATP 1.E 2 . . -18.912 32.126 3.055 1.00 140.38 1 1.E 2475 ? 1 -HETATM N N7 ATP 1.E 2 . . -18.155 31.635 4.067 1.00 140.63 1 1.E 2476 ? 1 -HETATM C C5 ATP 1.E 2 . . -18.220 30.293 4.004 1.00 137.17 1 1.E 2477 ? 1 -HETATM C C6 ATP 1.E 2 . . -17.652 29.166 4.778 1.00 133.03 1 1.E 2478 ? 1 -HETATM N N6 ATP 1.E 2 . . -16.846 29.398 5.843 1.00 130.76 1 1.E 2479 ? 1 -HETATM N N1 ATP 1.E 2 . . -17.967 27.911 4.383 1.00 131.80 1 1.E 2480 ? 1 -HETATM C C2 ATP 1.E 2 . . -18.768 27.682 3.325 1.00 131.86 1 1.E 2481 ? 1 -HETATM N N3 ATP 1.E 2 . . -19.318 28.659 2.578 1.00 134.27 1 1.E 2482 ? 1 -HETATM C C4 ATP 1.E 2 . . -19.086 29.963 2.861 1.00 136.28 1 1.E 2483 ? 1 -HETATM MG MG MG 1.F 3 . . -21.353 34.412 4.605 1.00 185.52 1 1.F 2484 ? 1 -# -loop_ -_pdbx_poly_seq_scheme.asym_id -_pdbx_poly_seq_scheme.entity_id -_pdbx_poly_seq_scheme.mon_id -_pdbx_poly_seq_scheme.seq_id -_pdbx_poly_seq_scheme.pdb_strand_id -_pdbx_poly_seq_scheme.pdb_seq_num -_pdbx_poly_seq_scheme.pdb_ins_code -1.B 1 LEU 39 1.B 39 ? -1.B 1 LEU 40 1.B 40 ? -1.B 1 GLU 41 1.B 41 ? -1.B 1 LEU 42 1.B 42 ? -1.B 1 GLU 43 1.B 43 ? -1.B 1 LEU 44 1.B 44 ? -1.B 1 ASP 45 1.B 45 ? -1.B 1 GLU 46 1.B 46 ? -1.B 1 GLN 47 1.B 47 ? -1.B 1 GLN 48 1.B 48 ? -1.B 1 ARG 49 1.B 49 ? -1.B 1 LYS 50 1.B 50 ? -1.B 1 ARG 51 1.B 51 ? -1.B 1 LEU 52 1.B 52 ? -1.B 1 GLU 53 1.B 53 ? -1.B 1 ALA 54 1.B 54 ? -1.B 1 PHE 55 1.B 55 ? -1.B 1 LEU 56 1.B 56 ? -1.B 1 THR 57 1.B 57 ? -1.B 1 GLN 58 1.B 58 ? -1.B 1 LYS 59 1.B 59 ? -1.B 1 GLN 60 1.B 60 ? -1.B 1 LYS 61 1.B 61 ? -1.B 1 VAL 62 1.B 62 ? -1.B 1 GLY 63 1.B 63 ? -1.B 1 GLU 64 1.B 64 ? -1.B 1 LEU 65 1.B 65 ? -1.B 1 LYS 66 1.B 66 ? -1.B 1 ASP 67 1.B 67 ? -1.B 1 ASP 68 1.B 68 ? -1.B 1 ASP 69 1.B 69 ? -1.B 1 PHE 70 1.B 70 ? -1.B 1 GLU 71 1.B 71 ? -1.B 1 LYS 72 1.B 72 ? -1.B 1 ILE 73 1.B 73 ? -1.B 1 SER 74 1.B 74 ? -1.B 1 GLU 75 1.B 75 ? -1.B 1 LEU 76 1.B 76 ? -1.B 1 GLY 77 1.B 77 ? -1.B 1 ALA 78 1.B 78 ? -1.B 1 GLY 79 1.B 79 ? -1.B 1 VAL 83 1.B 83 ? -1.B 1 VAL 84 1.B 84 ? -1.B 1 PHE 85 1.B 85 ? -1.B 1 LYS 86 1.B 86 ? -1.B 1 VAL 87 1.B 87 ? -1.B 1 SER 88 1.B 88 ? -1.B 1 HIS 89 1.B 89 ? -1.B 1 LYS 90 1.B 90 ? -1.B 1 PRO 91 1.B 91 ? -1.B 1 SER 92 1.B 92 ? -1.B 1 GLY 93 1.B 93 ? -1.B 1 LEU 94 1.B 94 ? -1.B 1 VAL 95 1.B 95 ? -1.B 1 MET 96 1.B 96 ? -1.B 1 ALA 97 1.B 97 ? -1.B 1 ARG 98 1.B 98 ? -1.B 1 LYS 99 1.B 99 ? -1.B 1 LEU 100 1.B 100 ? -1.B 1 ILE 101 1.B 101 ? -1.B 1 HIS 102 1.B 102 ? -1.B 1 LEU 103 1.B 103 ? -1.B 1 GLU 104 1.B 104 ? -1.B 1 ILE 105 1.B 105 ? -1.B 1 LYS 106 1.B 106 ? -1.B 1 PRO 107 1.B 107 ? -1.B 1 ALA 108 1.B 108 ? -1.B 1 ILE 109 1.B 109 ? -1.B 1 ARG 110 1.B 110 ? -1.B 1 ASN 111 1.B 111 ? -1.B 1 GLN 112 1.B 112 ? -1.B 1 ILE 113 1.B 113 ? -1.B 1 ILE 114 1.B 114 ? -1.B 1 ARG 115 1.B 115 ? -1.B 1 GLU 116 1.B 116 ? -1.B 1 LEU 117 1.B 117 ? -1.B 1 GLN 118 1.B 118 ? -1.B 1 VAL 119 1.B 119 ? -1.B 1 LEU 120 1.B 120 ? -1.B 1 HIS 121 1.B 121 ? -1.B 1 GLU 122 1.B 122 ? -1.B 1 CYS 123 1.B 123 ? -1.B 1 ASN 124 1.B 124 ? -1.B 1 SER 125 1.B 125 ? -1.B 1 PRO 126 1.B 126 ? -1.B 1 TYR 127 1.B 127 ? -1.B 1 ILE 128 1.B 128 ? -1.B 1 VAL 129 1.B 129 ? -1.B 1 GLY 130 1.B 130 ? -1.B 1 PHE 131 1.B 131 ? -1.B 1 TYR 132 1.B 132 ? -1.B 1 GLY 133 1.B 133 ? -1.B 1 ALA 134 1.B 134 ? -1.B 1 PHE 135 1.B 135 ? -1.B 1 TYR 136 1.B 136 ? -1.B 1 SER 137 1.B 137 ? -1.B 1 ASP 138 1.B 138 ? -1.B 1 GLY 139 1.B 139 ? -1.B 1 GLU 140 1.B 140 ? -1.B 1 ILE 141 1.B 141 ? -1.B 1 SER 142 1.B 142 ? -1.B 1 ILE 143 1.B 143 ? -1.B 1 CYS 144 1.B 144 ? -1.B 1 MET 145 1.B 145 ? -1.B 1 GLU 146 1.B 146 ? -1.B 1 HIS 147 1.B 147 ? -1.B 1 MET 148 1.B 148 ? -1.B 1 ASP 149 1.B 149 ? -1.B 1 GLY 150 1.B 150 ? -1.B 1 GLY 151 1.B 151 ? -1.B 1 SER 152 1.B 152 ? -1.B 1 LEU 153 1.B 153 ? -1.B 1 ASP 154 1.B 154 ? -1.B 1 GLN 155 1.B 155 ? -1.B 1 VAL 156 1.B 156 ? -1.B 1 LEU 157 1.B 157 ? -1.B 1 LYS 158 1.B 158 ? -1.B 1 LYS 159 1.B 159 ? -1.B 1 ALA 160 1.B 160 ? -1.B 1 GLY 161 1.B 161 ? -1.B 1 ARG 162 1.B 162 ? -1.B 1 ILE 163 1.B 163 ? -1.B 1 PRO 164 1.B 164 ? -1.B 1 GLU 165 1.B 165 ? -1.B 1 GLN 166 1.B 166 ? -1.B 1 ILE 167 1.B 167 ? -1.B 1 LEU 168 1.B 168 ? -1.B 1 GLY 169 1.B 169 ? -1.B 1 LYS 170 1.B 170 ? -1.B 1 VAL 171 1.B 171 ? -1.B 1 SER 172 1.B 172 ? -1.B 1 ILE 173 1.B 173 ? -1.B 1 ALA 174 1.B 174 ? -1.B 1 VAL 175 1.B 175 ? -1.B 1 ILE 176 1.B 176 ? -1.B 1 LYS 177 1.B 177 ? -1.B 1 GLY 178 1.B 178 ? -1.B 1 LEU 179 1.B 179 ? -1.B 1 THR 180 1.B 180 ? -1.B 1 TYR 181 1.B 181 ? -1.B 1 LEU 182 1.B 182 ? -1.B 1 ARG 183 1.B 183 ? -1.B 1 GLU 184 1.B 184 ? -1.B 1 LYS 185 1.B 185 ? -1.B 1 HIS 186 1.B 186 ? -1.B 1 LYS 187 1.B 187 ? -1.B 1 ILE 188 1.B 188 ? -1.B 1 MET 189 1.B 189 ? -1.B 1 HIS 190 1.B 190 ? -1.B 1 ARG 191 1.B 191 ? -1.B 1 ASP 192 1.B 192 ? -1.B 1 VAL 193 1.B 193 ? -1.B 1 LYS 194 1.B 194 ? -1.B 1 PRO 195 1.B 195 ? -1.B 1 SER 196 1.B 196 ? -1.B 1 ASN 197 1.B 197 ? -1.B 1 ILE 198 1.B 198 ? -1.B 1 LEU 199 1.B 199 ? -1.B 1 VAL 200 1.B 200 ? -1.B 1 ASN 201 1.B 201 ? -1.B 1 SER 202 1.B 202 ? -1.B 1 ARG 203 1.B 203 ? -1.B 1 GLY 204 1.B 204 ? -1.B 1 GLU 205 1.B 205 ? -1.B 1 ILE 206 1.B 206 ? -1.B 1 LYS 207 1.B 207 ? -1.B 1 LEU 208 1.B 208 ? -1.B 1 CYS 209 1.B 209 ? -1.B 1 ASP 210 1.B 210 ? -1.B 1 PHE 211 1.B 211 ? -1.B 1 GLY 212 1.B 212 ? -1.B 1 VAL 213 1.B 213 ? -1.B 1 SER 214 1.B 214 ? -1.B 1 GLY 215 1.B 215 ? -1.B 1 GLN 216 1.B 216 ? -1.B 1 LEU 217 1.B 217 ? -1.B 1 ILE 218 1.B 218 ? -1.B 1 ASP 219 1.B 219 ? -1.B 1 SER 220 1.B 220 ? -1.B 1 MET 221 1.B 221 ? -1.B 1 ALA 222 1.B 222 ? -1.B 1 ASN 223 1.B 223 ? -1.B 1 SER 224 1.B 224 ? -1.B 1 PHE 225 1.B 225 ? -1.B 1 VAL 226 1.B 226 ? -1.B 1 GLY 227 1.B 227 ? -1.B 1 THR 228 1.B 228 ? -1.B 1 ARG 229 1.B 229 ? -1.B 1 SER 230 1.B 230 ? -1.B 1 TYR 231 1.B 231 ? -1.B 1 MET 232 1.B 232 ? -1.B 1 SER 233 1.B 233 ? -1.B 1 PRO 234 1.B 234 ? -1.B 1 GLU 235 1.B 235 ? -1.B 1 ARG 236 1.B 236 ? -1.B 1 LEU 237 1.B 237 ? -1.B 1 GLN 238 1.B 238 ? -1.B 1 GLY 239 1.B 239 ? -1.B 1 THR 240 1.B 240 ? -1.B 1 HIS 241 1.B 241 ? -1.B 1 TYR 242 1.B 242 ? -1.B 1 SER 243 1.B 243 ? -1.B 1 VAL 244 1.B 244 ? -1.B 1 GLN 245 1.B 245 ? -1.B 1 SER 246 1.B 246 ? -1.B 1 ASP 247 1.B 247 ? -1.B 1 ILE 248 1.B 248 ? -1.B 1 TRP 249 1.B 249 ? -1.B 1 SER 250 1.B 250 ? -1.B 1 MET 251 1.B 251 ? -1.B 1 GLY 252 1.B 252 ? -1.B 1 LEU 253 1.B 253 ? -1.B 1 SER 254 1.B 254 ? -1.B 1 LEU 255 1.B 255 ? -1.B 1 VAL 256 1.B 256 ? -1.B 1 GLU 257 1.B 257 ? -1.B 1 MET 258 1.B 258 ? -1.B 1 ALA 259 1.B 259 ? -1.B 1 VAL 260 1.B 260 ? -1.B 1 GLY 261 1.B 261 ? -1.B 1 ARG 262 1.B 262 ? -1.B 1 TYR 263 1.B 263 ? -1.B 1 PRO 264 1.B 264 ? -1.B 1 ILE 265 1.B 265 ? -1.B 1 PRO 266 1.B 266 ? -1.B 1 PRO 267 1.B 267 ? -1.B 1 PRO 268 1.B 268 ? -1.B 1 ASP 269 1.B 269 ? -1.B 1 ALA 270 1.B 270 ? -1.B 1 LYS 271 1.B 271 ? -1.B 1 GLU 272 1.B 272 ? -1.B 1 LEU 273 1.B 273 ? -1.B 1 GLU 274 1.B 274 ? -1.B 1 LEU 275 1.B 275 ? -1.B 1 MET 276 1.B 276 ? -1.B 1 PHE 277 1.B 277 ? -1.B 1 GLY 278 1.B 278 ? -1.B 1 CYS 279 1.B 279 ? -1.B 1 PRO 309 1.B 309 ? -1.B 1 MET 310 1.B 310 ? -1.B 1 ALA 311 1.B 311 ? -1.B 1 ILE 312 1.B 312 ? -1.B 1 PHE 313 1.B 313 ? -1.B 1 GLU 314 1.B 314 ? -1.B 1 LEU 315 1.B 315 ? -1.B 1 LEU 316 1.B 316 ? -1.B 1 ASP 317 1.B 317 ? -1.B 1 TYR 318 1.B 318 ? -1.B 1 ILE 319 1.B 319 ? -1.B 1 VAL 320 1.B 320 ? -1.B 1 ASN 321 1.B 321 ? -1.B 1 GLU 322 1.B 322 ? -1.B 1 PRO 323 1.B 323 ? -1.B 1 PRO 324 1.B 324 ? -1.B 1 PRO 325 1.B 325 ? -1.B 1 LYS 326 1.B 326 ? -1.B 1 LEU 327 1.B 327 ? -1.B 1 PRO 328 1.B 328 ? -1.B 1 SER 329 1.B 329 ? -1.B 1 ALA 330 1.B 330 ? -1.B 1 VAL 331 1.B 331 ? -1.B 1 PHE 332 1.B 332 ? -1.B 1 SER 333 1.B 333 ? -1.B 1 LEU 334 1.B 334 ? -1.B 1 GLU 335 1.B 335 ? -1.B 1 PHE 336 1.B 336 ? -1.B 1 GLN 337 1.B 337 ? -1.B 1 ASP 338 1.B 338 ? -1.B 1 PHE 339 1.B 339 ? -1.B 1 VAL 340 1.B 340 ? -1.B 1 ASN 341 1.B 341 ? -1.B 1 LYS 342 1.B 342 ? -1.B 1 CYS 343 1.B 343 ? -1.B 1 LEU 344 1.B 344 ? -1.B 1 ILE 345 1.B 345 ? -1.B 1 LYS 346 1.B 346 ? -1.B 1 ASN 347 1.B 347 ? -1.B 1 PRO 348 1.B 348 ? -1.B 1 ALA 349 1.B 349 ? -1.B 1 GLU 350 1.B 350 ? -1.B 1 ARG 351 1.B 351 ? -1.B 1 ALA 352 1.B 352 ? -1.B 1 ASP 353 1.B 353 ? -1.B 1 LEU 354 1.B 354 ? -1.B 1 LYS 355 1.B 355 ? -1.B 1 GLN 356 1.B 356 ? -1.B 1 LEU 357 1.B 357 ? -1.B 1 MET 358 1.B 358 ? -1.B 1 VAL 359 1.B 359 ? -1.B 1 HIS 360 1.B 360 ? -1.B 1 ALA 361 1.B 361 ? -1.B 1 PHE 362 1.B 362 ? -1.B 1 ILE 363 1.B 363 ? -1.B 1 LYS 364 1.B 364 ? -1.B 1 ARG 365 1.B 365 ? -1.B 1 SER 366 1.B 366 ? -1.B 1 ASP 367 1.B 367 ? -1.B 1 ALA 368 1.B 368 ? -1.B 1 GLU 369 1.B 369 ? -1.B 1 GLU 370 1.B 370 ? -1.B 1 VAL 371 1.B 371 ? -1.B 1 ASP 372 1.B 372 ? -1.B 1 PHE 373 1.B 373 ? -1.B 1 ALA 374 1.B 374 ? -1.B 1 GLY 375 1.B 375 ? -1.B 1 TRP 376 1.B 376 ? -1.B 1 LEU 377 1.B 377 ? -1.B 1 CYS 378 1.B 378 ? -1.B 1 SER 379 1.B 379 ? -1.B 1 THR 380 1.B 380 ? -1.B 1 ILE 381 1.B 381 ? -1.B 1 GLY 382 1.B 382 ? -1.B 1 LEU 383 1.B 383 ? -#