################################################### # # # Converted from PDB format to CIF format by # # pdb2cif version 2.3.6 15 Jun 98 # # by # # P.E. Bourne, H.J. Bernstein and F.C. Bernstein # # # # *** See the remarks at the end of this *** # # *** file for information on conversion *** # # *** of this entry and on the program *** # # *** pdb2cif *** # ################################################### data_2ACE _entry.id 2ACE ################## # # # STRUCT # # # ################## loop_ _struct.entry_id _struct.title 2ACE ; NATIVE ACETYLCHOLINESTERASE (E.C. 3.1.1.7) FROM TORPEDO CALIFORNICA Compound:: MOL_ID: 1; MOLECULE: ACETYLCHOLINESTERASE; CHAIN: NULL; EC: 3.1.1.7; BIOLOGICAL_UNIT: DIMER IN SOLUTION, ACTIVE AS MONOMER Source:: MOL_ID: 1; ORGANISM_SCIENTIFIC: TORPEDO CALIFORNICA; ORGANISM_COMMON: PACIFIC ELECTRIC RAY; VARIANT: G2 FORM; ORGAN: ELECTRIC ORGAN; TISSUE: ELECTROPLAQUE ; _exptl.entry_id 2ACE _exptl.method 'single-crystal x-ray diffraction' #################### # # # AUDIT_AUTHOR # # # #################### loop_ _audit_author.name 'Harel, M.' 'Raves, M.L.' 'Silman, I.' 'Sussman, J.L.' loop_ _citation.id _citation.coordinate_linkage _citation.title _citation.country _citation.journal_abbrev _citation.journal_volume _citation.journal_issue _citation.page_first _citation.year _citation.journal_id_ASTM _citation.journal_id_ISSN _citation.journal_id_CSD _citation.book_title _citation.book_publisher _citation.book_id_ISBN _citation.details primary yes ; 3D STRUCTURE OF ACETYLCHOLINESTERASE COMPLEXED WITH THE NOOTROPIC ALKALOID, (-)-HUPERZINE A ; ? 'TO BE PUBLISHED ' ? ? ? ? ' ' ' ' 0353 ? ? ? ? 1 no ; RESIDUES IN TORPEDO CALIFORNICA ACETYLCHOLINESTERASE NECESSARY FOR PROCESSING TO A GLYCOSYL PHOSPHATIDYLINOSITOL-ANCHORED FORM ; NE 'BIOCHIM.BIOPHYS.ACTA ' 1292 ? 223 1996 'BBACAQ ' '0006-3002 ' 0113 ? ? ? ? 2 no ; STRUCTURE AND DYNAMICS OF THE ACTIVE SITE GORGE OF ACETYLCHOLINESTERASE: SYNERGISTIC USE OF MOLECULAR DYNAMICS SIMULATION AND X-RAY CRYSTALLOGRAPHY ; US 'PROTEIN SCI. ' 3 ? 188 1994 'PRCIEI ' '0961-8368 ' 0795 ? ? ? ? 3 no ; QUATERNARY LIGAND BINDING TO AROMATIC RESIDUES IN THE ACTIVE-SITE GORGE OF ACETYLCHOLINESTERASE ; US 'PROC.NAT.ACAD.SCI.USA ' 90 ? 9031 1993 'PNASA6 ' '0027-8424 ' 0040 ? ? ? ? 4 no ; ATOMIC STRUCTURE OF ACETYLCHOLINESTERASE FROM TORPEDO CALIFORNICA: A PROTOTYPIC ACETYLCHOLINE-BINDING PROTEIN ; US 'SCIENCE ' 253 ? 872 1991 'SCIEAS ' '0036-8075 ' 0038 ? ? ? ? 5 no ; PURIFICATION AND CRYSTALLIZATION OF A DIMERIC FORM OF ACETYLCHOLINESTERASE FROM TORPEDO CALIFORNICA SUBSEQUENT TO SOLUBILIZATION WITH PHOSPHATIDYLINOSITOL-SPECIFIC PHOSPHOLIPASE C ; UK 'J.MOL.BIOL. ' 203 ? 821 1988 'JMOBAK ' '0022-2836 ' 0070 ? ? ? ? 6 no ; PRIMARY STRUCTURE OF TORPEDO CALIFORNICA ACETYLCHOLINESTERASE DEDUCED FROM ITS CDNA SEQUENCE ; UK 'NATURE ' 319 ? 407 1986 'NATUAS ' '0028-0836 ' 0006 ? ? ? ? loop_ _citation_author.citation_id _citation_author.name primary 'Raves, M.L.' primary 'Harel, M.' primary 'Pang, Y.-P.' primary 'Silman, I.' primary 'Kozikowski, A.P.' primary 'Sussman, J.L.' 1 'Bucht, G.' 1 'Hjalmarsson, K.' 2 'Axelsen, P.H.' 2 'Harel, M.' 2 'Silman, I.' 2 'Sussman, J.L.' 3 'Harel, M.' 3 'Schalk, I.' 3 'Ehret-Sabatier, L.' 3 'Bouet, F.' 3 'Goeldner, M.' 3 'Hirth, C.' 3 'Axelsen, P.H.' 3 'Silman, I.' 3 'Sussman, J.L.' 4 'Sussman, J.L.' 4 'Harel, M.' 4 'Frolow, F.' 4 'Oefner, C.' 4 'Goldman, A.' 4 'Toker, L.' 4 'Silman, I.' 5 'Sussman, J.L.' 5 'Harel, M.' 5 'Frolow, F.' 5 'Varon, L.' 5 'Toker, L.' 5 'Futerman, A.H.' 5 'Silman, I.' 6 'Schumacher, M.' 6 'Camp, S.' 6 'Maulet, Y.' 6 'Newton, M.' 6 'Macphee-Quigley, K.' 6 'Taylor, S.S.' 6 'Friedmann, T.' 6 'Taylor, P.' _reflns.entry_id 2ACE _reflns.d_resolution_high 2.5 loop_ _database_PDB_remark.id _database_PDB_remark.text 3 ; REFINEMENT. PROGRAM : X-PLOR 3.1 AUTHORS : BRUNGER DATA USED IN REFINEMENT. RESOLUTION RANGE HIGH (ANGSTROMS) : 2.50 RESOLUTION RANGE LOW (ANGSTROMS) : 8.00 DATA CUTOFF (SIGMA(F)) : 0.0 DATA CUTOFF HIGH (ABS(F)) : NULL DATA CUTOFF LOW (ABS(F)) : NULL COMPLETENESS (WORKING+TEST) (%) : 96.6 NUMBER OF REFLECTIONS : 30035 FIT TO DATA USED IN REFINEMENT. CROSS-VALIDATION METHOD : THROUGHOUT FREE R VALUE TEST SET SELECTION : RANDOM R VALUE (WORKING SET) : 0.199 FREE R VALUE : 0.258 FREE R VALUE TEST SET SIZE (%) : 5.2 FREE R VALUE TEST SET COUNT : 1555 ESTIMATED ERROR OF FREE R VALUE : 0.006 FIT IN THE HIGHEST RESOLUTION BIN. TOTAL NUMBER OF BINS USED : NULL BIN RESOLUTION RANGE HIGH (A) : 2.50 BIN RESOLUTION RANGE LOW (A) : 2.61 BIN COMPLETENESS (WORKING+TEST) (%) : 99.3 REFLECTIONS IN BIN (WORKING SET) : 3181 BIN R VALUE (WORKING SET) : 0.308 BIN FREE R VALUE : 0.390 BIN FREE R VALUE TEST SET SIZE (%) : 5.2 BIN FREE R VALUE TEST SET COUNT : 167 ESTIMATED ERROR OF BIN FREE R VALUE : 0.025 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. PROTEIN ATOMS : 4143 NUCLEIC ACID ATOMS : 0 HETEROGEN ATOMS : 0 SOLVENT ATOMS : 204 B VALUES. FROM WILSON PLOT (A**2) : 33.9 MEAN B VALUE (OVERALL, A**2) : 24.5 OVERALL ANISOTROPIC B VALUE. B11 (A**2) : NULL B22 (A**2) : NULL B33 (A**2) : NULL B12 (A**2) : NULL B13 (A**2) : NULL B23 (A**2) : NULL ESTIMATED COORDINATE ERROR. ESD FROM LUZZATI PLOT (A) : 0.25 ESD FROM SIGMAA (A) : 0.27 LOW RESOLUTION CUTOFF (A) : 8.00 CROSS-VALIDATED ESTIMATED COORDINATE ERROR. ESD FROM C-V LUZZATI PLOT (A) : 0.33 ESD FROM C-V SIGMAA (A) : NULL RMS DEVIATIONS FROM IDEAL VALUES. BOND LENGTHS (A) : 0.016 BOND ANGLES (DEGREES) : 1.9 DIHEDRAL ANGLES (DEGREES) : 24.2 IMPROPER ANGLES (DEGREES) : 1.60 ISOTROPIC THERMAL MODEL : NULL ISOTROPIC THERMAL FACTOR RESTRAINTS. RMS SIGMA MAIN-CHAIN BOND (A**2) : 1.41 ; 1.50 MAIN-CHAIN ANGLE (A**2) : 2.26 ; 2.00 SIDE-CHAIN BOND (A**2) : 2.09 ; 2.00 SIDE-CHAIN ANGLE (A**2) : 3.12 ; 2.50 NCS MODEL : NULL NCS RESTRAINTS. RMS SIGMA/WEIGHT GROUP 1 POSITIONAL (A) : NULL ; NULL GROUP 1 B-FACTOR (A**2) : NULL ; NULL PARAMETER FILE 1 : PARHCSDX.PRO PARAMETER FILE 2 : PARAM11.WAT TOPOLOGY FILE 1 : TOPHCSDX.PRO TOPOLOGY FILE 2 : TOPH11.WAT OTHER REFINEMENT REMARKS: NULL ; 4 ; 2ACE COMPLIES WITH FORMAT V. 2.1, 25-OCT-1996 ; 6 ; TORPEDO CALIFONICA ACETYLCHOLINESTERASE IS A G2 DIMER IN SOLUTION (SEE SUSSMAN 1988). THE ASYMMETRIC UNIT CONTAINS A MONOMER, WITH THE CRYSTALLOGRAPHIC TWO-FOLD AXIS RELATING THE TWO MONOMERS IN A DIMER. ; 7 ; THE ORIGINAL ACETYLCHOLINESTERASE STRUCTURE, 1ACE, WAS SHOWN TO CONTAIN AN INHIBITOR, DECAMETHONIUM, INSIDE THE ACTIVE-SITE GORGE (SEE AXELSEN 1994), AND HAS, THEREFORE, BEEN REPLACED WITH THE CURRENT NATIVE STRUCTURE. ; 8 ; SEVERAL RESIDUES ARE NOT SEEN IN THE CRYSTAL STRUCTURE, DUE TO DISORDER. THESE INCLUDE THREE N-TERMINAL RESIDUES (ASP 1, ASP 2, HIS 3), THE LOOP FROM PRO 485 TO GLU 489 AND THE C-TERMINAL RESIDUES AFTER THR 535. ; 9 ; THERE IS RECENT EVIDENCE (SEE BUCHT 1996) THAT THE GPI ANCHOR IS ATTACHED TO EITHER SER 543 OR SER 544, NOT TO CYS 537. ; 10 ; THE NATURAL SUBSTRATE ACETYLCHOLINE, IN AN ALL-TRANS CONFORMATION, HAS BEEN MANUALLY DOCKED INTO THE ACTIVE SITE, COVALENTLY BOUND TO SER 200 IN A TETRAHEDRAL INTERMEDIATE CONFORMATION. THE ACETYLCHOLINE IS A MODEL, NOT DERIVED FROM THE EXPERIMENTAL DATA. ; 11 ; THR 535 IS THE LAST RESIDUE OBSERVED AT THE C-TERMINUS. ; 200 ; EXPERIMENTAL DETAILS EXPERIMENT TYPE : X-RAY DIFFRACTION DATE OF DATA COLLECTION : OCT-1993 TEMPERATURE (KELVIN) : 273 PH : 5.8 NUMBER OF CRYSTALS USED : 1 SYNCHROTRON (Y/N) : Y RADIATION SOURCE : DESY BEAMLINE : X11 X-RAY GENERATOR MODEL : NULL MONOCHROMATIC OR LAUE (M/L) : M WAVELENGTH OR RANGE (A) : 0.92 MONOCHROMATOR : NULL OPTICS : NULL DETECTOR TYPE : IMAGE PLATE DETECTOR MANUFACTURER : MARRESEARCH INTENSITY-INTEGRATION SOFTWARE : DENZO DATA SCALING SOFTWARE : SCALEPACK NUMBER OF UNIQUE REFLECTIONS : 46243 RESOLUTION RANGE HIGH (A) : 2.25 RESOLUTION RANGE LOW (A) : 25.0 REJECTION CRITERIA (SIGMA(I)) : 0. OVERALL. COMPLETENESS FOR RANGE (%) : 96.6 DATA REDUNDANCY : 1.9 R MERGE (I) : NULL R SYM (I) : 0.095 FOR THE DATA SET : 7.4 IN THE HIGHEST RESOLUTION SHELL. HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 2.25 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 2.33 COMPLETENESS FOR SHELL (%) : 96.7 DATA REDUNDANCY IN SHELL : 1.8 R MERGE FOR SHELL (I) : NULL R SYM FOR SHELL (I) : 0.713 FOR SHELL : 0.9 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT SOFTWARE USED: X-PLOR STARTING MODEL: PDB ENTRY 1ACE REMARK: NULL ; 280 ; CRYSTAL SOLVENT CONTENT, VS (%): 68. MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 3.8 CRYSTALLIZATION CONDITIONS: PROTEIN WAS CRYSTALLIZED FROM 35% PEG 200, 100 MM MES, PH 5.8, AT 4 DEG. ; 290 ; CRYSTALLOGRAPHIC SYMMETRY SYMMETRY OPERATORS FOR SPACE GROUP: P 31 2 1 SYMOP SYMMETRY NNNMMM OPERATOR 1555 X,Y,Z 2555 -Y,X-Y,Z+1/3 3555 Y-X,-X,Z+2/3 4555 Y,X,-Z 5555 X-Y,-Y,2/3-Z 6555 -X,Y-X,1/3-Z WHERE NNN -> OPERATOR NUMBER MMM -> TRANSLATION VECTOR CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY RELATED MOLECULES. SMTRY1 1 1.000000 0.000000 0.000000 0.00000 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 SMTRY1 2 -0.500000 -0.866007 0.000000 0.00000 SMTRY2 2 0.866044 -0.500000 0.000000 0.00000 SMTRY3 2 0.000000 0.000000 1.000000 45.56847 SMTRY1 3 -0.500000 0.866007 0.000000 0.00000 SMTRY2 3 -0.866044 -0.500000 0.000000 0.00000 SMTRY3 3 0.000000 0.000000 1.000000 91.13693 SMTRY1 4 -0.500000 0.866007 0.000000 0.00000 SMTRY2 4 0.866044 0.500000 0.000000 0.00000 SMTRY3 4 0.000000 0.000000 -1.000000 0.00000 SMTRY1 5 1.000000 0.000000 0.000000 0.00000 SMTRY2 5 0.000000 -1.000000 0.000000 0.00000 SMTRY3 5 0.000000 0.000000 -1.000000 91.13693 SMTRY1 6 -0.500000 -0.866007 0.000000 0.00000 SMTRY2 6 -0.866044 0.500000 0.000000 0.00000 SMTRY3 6 0.000000 0.000000 -1.000000 45.56847 REMARK: NULL ; 300 ; BIOMOLECULE THE ENZYME IS A GPI-ANCHORED DIMER, THE TWO MONOMERS IN THE DIMER ARE RELATED BY CRYSTALLOGRAPHIC TWO-FOLD SYMMETRY. ; 350 ; GENERATING THE BIOMOLECULE COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. APPLY THE FOLLOWING TO CHAINS: NULL BIOMT1 1 1.000000 0.000000 0.000000 56.20500 BIOMT2 1 0.000000 -1.000000 0.000000 97.35000 BIOMT3 1 0.000000 0.000000 -1.000000 91.13300 ; 375 ; SPECIAL POSITION HOH 732 LIES ON A SPECIAL POSITION. ; 470 ; MISSING ATOM THE FOLLOWING RESIDUES HAVE MISSING ATOMS (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE): M RES CSSEQI ATOMS HIS 26 ND1 CE1 NE2 CD2 ASN 42 CG OD1 ND2 ARG 46 CZ NH1 NH2 GLU 89 CD OE1 OE2 GLN 162 OE1 NE2 ARG 250 CZ NH1 NH2 ASN 257 CG OD1 ND2 GLU 260 OE1 OE2 GLU 268 OE1 OE2 LYS 270 CE NZ GLU 344 OE1 OE2 GLU 350 OE1 OE2 LYS 357 NZ ASP 365 OD1 OD2 LYS 413 CD CE NZ LYS 491 CD CE NZ LYS 498 CG CD CE NZ GLU 499 OE1 OE2 GLU 508 CD OE1 OE2 LYS 511 CD CE NZ ARG 515 CZ NH1 NH2 GLN 526 OE1 NE2 ASN 533 CG OD1 ND2 ; 500 ; GEOMETRY AND STEREOCHEMISTRY SUBTOPIC: CLOSE CONTACTS THE FOLLOWING ATOMS THAT ARE RELATED BY CRYSTALLOGRAPHIC SYMMETRY ARE IN CLOSE CONTACT. SOME OF THESE MAY BE ATOMS LOCATED ON SPECIAL POSITIONS IN THE CELL. DISTANCE CUTOFF: 2.2 ANGSTROMS ATM1 RES C SSEQI ATM2 RES C SSEQI SSYMOP DISTANCE O HOH 732 O HOH 732 4556 0.01 NE2 GLN 374 O HOH 732 4556 2.04 O HOH 732 NE2 GLN 374 4556 2.04 ; 600 ; HETEROGEN ACH 998, ACETYLCHOLINE WAS MANUALLY MODELED IN THE ACTIVE SITE, AND IS COVALENTLY ATTACHED TO SER 200 IN THE TETRAHEDRAL INTERMEDIATE STATE. ; 650 ; HELIX DETERMINATION METHOD: AUTHOR-DETERMINED ; 700 ; SHEET DETERMINATION METHOD: AUTHOR-DETERMINED STRAND: B 1; THERE IS A CENTRAL ELEVEN-STRANDED SHEET AND A SMALL THREE-STRANDED SHEET AT THE N-TERMINUS. ; 800 ; SITE SITE_IDENTIFIER: CAT SITE_DESCRIPTION: CATALYTIC TRIAD. ; 999 ; SEQUENCE 2ACE SWS P04058 1 - 24 NOT IN ATOMS LIST 2ACE SWS P04058 557 - 586 NOT IN ATOMS LIST ; _cell.entry_id 2ACE _cell.length_a 112.410 _cell.length_b 112.410 _cell.length_c 136.700 _cell.angle_alpha 90.00 _cell.angle_beta 90.00 _cell.angle_gamma 120.00 _cell.volume 1931220.0 _cell.details ? _cell.Z_PDB 6 _symmetry.entry_id 2ACE _symmetry.space_group_name_H-M 'P 31 2 1 ' #################### # # # AUDIT # # # #################### _audit.revision_id 2ACE _audit.creation_date 1996-06-23 _audit.update_record ; 1998-06-24 Converted to mmCIF format by pdb2cif.pl 2.3.6 ; ############################# # # # STRUCT_KEYWORDS # # # ############################# loop_ _struct_keywords.entry_id _struct_keywords.text 2ACE 'SERINE HYDROLASE' 2ACE 'NEUROTRANSMITTER CLEAVAGE' 2ACE 'CATALYTIC TRIAD' 2ACE 'ALPHA/BETA HYDROLASE' ########################## # # # ENTITY_POLY_SEQ # # # ########################## loop_ _entity_poly_seq.entity_id _entity_poly_seq.num _entity_poly_seq.mon_id 1 1 ASP 1 2 ASP 1 3 HIS 1 4 SER 1 5 GLU 1 6 LEU 1 7 LEU 1 8 VAL 1 9 ASN 1 10 THR 1 11 LYS 1 12 SER 1 13 GLY 1 14 LYS 1 15 VAL 1 16 MET 1 17 GLY 1 18 THR 1 19 ARG 1 20 VAL 1 21 PRO 1 22 VAL 1 23 LEU 1 24 SER 1 25 SER 1 26 HIS 1 27 ILE 1 28 SER 1 29 ALA 1 30 PHE 1 31 LEU 1 32 GLY 1 33 ILE 1 34 PRO 1 35 PHE 1 36 ALA 1 37 GLU 1 38 PRO 1 39 PRO 1 40 VAL 1 41 GLY 1 42 ASN 1 43 MET 1 44 ARG 1 45 PHE 1 46 ARG 1 47 ARG 1 48 PRO 1 49 GLU 1 50 PRO 1 51 LYS 1 52 LYS 1 53 PRO 1 54 TRP 1 55 SER 1 56 GLY 1 57 VAL 1 58 TRP 1 59 ASN 1 60 ALA 1 61 SER 1 62 THR 1 63 TYR 1 64 PRO 1 65 ASN 1 66 ASN 1 67 CYS 1 68 GLN 1 69 GLN 1 70 TYR 1 71 VAL 1 72 ASP 1 73 GLU 1 74 GLN 1 75 PHE 1 76 PRO 1 77 GLY 1 78 PHE 1 79 SER 1 80 GLY 1 81 SER 1 82 GLU 1 83 MET 1 84 TRP 1 85 ASN 1 86 PRO 1 87 ASN 1 88 ARG 1 89 GLU 1 90 MET 1 91 SER 1 92 GLU 1 93 ASP 1 94 CYS 1 95 LEU 1 96 TYR 1 97 LEU 1 98 ASN 1 99 ILE 1 100 TRP 1 101 VAL 1 102 PRO 1 103 SER 1 104 PRO 1 105 ARG 1 106 PRO 1 107 LYS 1 108 SER 1 109 THR 1 110 THR 1 111 VAL 1 112 MET 1 113 VAL 1 114 TRP 1 115 ILE 1 116 TYR 1 117 GLY 1 118 GLY 1 119 GLY 1 120 PHE 1 121 TYR 1 122 SER 1 123 GLY 1 124 SER 1 125 SER 1 126 THR 1 127 LEU 1 128 ASP 1 129 VAL 1 130 TYR 1 131 ASN 1 132 GLY 1 133 LYS 1 134 TYR 1 135 LEU 1 136 ALA 1 137 TYR 1 138 THR 1 139 GLU 1 140 GLU 1 141 VAL 1 142 VAL 1 143 LEU 1 144 VAL 1 145 SER 1 146 LEU 1 147 SER 1 148 TYR 1 149 ARG 1 150 VAL 1 151 GLY 1 152 ALA 1 153 PHE 1 154 GLY 1 155 PHE 1 156 LEU 1 157 ALA 1 158 LEU 1 159 HIS 1 160 GLY 1 161 SER 1 162 GLN 1 163 GLU 1 164 ALA 1 165 PRO 1 166 GLY 1 167 ASN 1 168 VAL 1 169 GLY 1 170 LEU 1 171 LEU 1 172 ASP 1 173 GLN 1 174 ARG 1 175 MET 1 176 ALA 1 177 LEU 1 178 GLN 1 179 TRP 1 180 VAL 1 181 HIS 1 182 ASP 1 183 ASN 1 184 ILE 1 185 GLN 1 186 PHE 1 187 PHE 1 188 GLY 1 189 GLY 1 190 ASP 1 191 PRO 1 192 LYS 1 193 THR 1 194 VAL 1 195 THR 1 196 ILE 1 197 PHE 1 198 GLY 1 199 GLU 1 200 SER 1 201 ALA 1 202 GLY 1 203 GLY 1 204 ALA 1 205 SER 1 206 VAL 1 207 GLY 1 208 MET 1 209 HIS 1 210 ILE 1 211 LEU 1 212 SER 1 213 PRO 1 214 GLY 1 215 SER 1 216 ARG 1 217 ASP 1 218 LEU 1 219 PHE 1 220 ARG 1 221 ARG 1 222 ALA 1 223 ILE 1 224 LEU 1 225 GLN 1 226 SER 1 227 GLY 1 228 SER 1 229 PRO 1 230 ASN 1 231 CYS 1 232 PRO 1 233 TRP 1 234 ALA 1 235 SER 1 236 VAL 1 237 SER 1 238 VAL 1 239 ALA 1 240 GLU 1 241 GLY 1 242 ARG 1 243 ARG 1 244 ARG 1 245 ALA 1 246 VAL 1 247 GLU 1 248 LEU 1 249 GLY 1 250 ARG 1 251 ASN 1 252 LEU 1 253 ASN 1 254 CYS 1 255 ASN 1 256 LEU 1 257 ASN 1 258 SER 1 259 ASP 1 260 GLU 1 261 GLU 1 262 LEU 1 263 ILE 1 264 HIS 1 265 CYS 1 266 LEU 1 267 ARG 1 268 GLU 1 269 LYS 1 270 LYS 1 271 PRO 1 272 GLN 1 273 GLU 1 274 LEU 1 275 ILE 1 276 ASP 1 277 VAL 1 278 GLU 1 279 TRP 1 280 ASN 1 281 VAL 1 282 LEU 1 283 PRO 1 284 PHE 1 285 ASP 1 286 SER 1 287 ILE 1 288 PHE 1 289 ARG 1 290 PHE 1 291 SER 1 292 PHE 1 293 VAL 1 294 PRO 1 295 VAL 1 296 ILE 1 297 ASP 1 298 GLY 1 299 GLU 1 300 PHE 1 301 PHE 1 302 PRO 1 303 THR 1 304 SER 1 305 LEU 1 306 GLU 1 307 SER 1 308 MET 1 309 LEU 1 310 ASN 1 311 SER 1 312 GLY 1 313 ASN 1 314 PHE 1 315 LYS 1 316 LYS 1 317 THR 1 318 GLN 1 319 ILE 1 320 LEU 1 321 LEU 1 322 GLY 1 323 VAL 1 324 ASN 1 325 LYS 1 326 ASP 1 327 GLU 1 328 GLY 1 329 SER 1 330 PHE 1 331 PHE 1 332 LEU 1 333 LEU 1 334 TYR 1 335 GLY 1 336 ALA 1 337 PRO 1 338 GLY 1 339 PHE 1 340 SER 1 341 LYS 1 342 ASP 1 343 SER 1 344 GLU 1 345 SER 1 346 LYS 1 347 ILE 1 348 SER 1 349 ARG 1 350 GLU 1 351 ASP 1 352 PHE 1 353 MET 1 354 SER 1 355 GLY 1 356 VAL 1 357 LYS 1 358 LEU 1 359 SER 1 360 VAL 1 361 PRO 1 362 HIS 1 363 ALA 1 364 ASN 1 365 ASP 1 366 LEU 1 367 GLY 1 368 LEU 1 369 ASP 1 370 ALA 1 371 VAL 1 372 THR 1 373 LEU 1 374 GLN 1 375 TYR 1 376 THR 1 377 ASP 1 378 TRP 1 379 MET 1 380 ASP 1 381 ASP 1 382 ASN 1 383 ASN 1 384 GLY 1 385 ILE 1 386 LYS 1 387 ASN 1 388 ARG 1 389 ASP 1 390 GLY 1 391 LEU 1 392 ASP 1 393 ASP 1 394 ILE 1 395 VAL 1 396 GLY 1 397 ASP 1 398 HIS 1 399 ASN 1 400 VAL 1 401 ILE 1 402 CYS 1 403 PRO 1 404 LEU 1 405 MET 1 406 HIS 1 407 PHE 1 408 VAL 1 409 ASN 1 410 LYS 1 411 TYR 1 412 THR 1 413 LYS 1 414 PHE 1 415 GLY 1 416 ASN 1 417 GLY 1 418 THR 1 419 TYR 1 420 LEU 1 421 TYR 1 422 PHE 1 423 PHE 1 424 ASN 1 425 HIS 1 426 ARG 1 427 ALA 1 428 SER 1 429 ASN 1 430 LEU 1 431 VAL 1 432 TRP 1 433 PRO 1 434 GLU 1 435 TRP 1 436 MET 1 437 GLY 1 438 VAL 1 439 ILE 1 440 HIS 1 441 GLY 1 442 TYR 1 443 GLU 1 444 ILE 1 445 GLU 1 446 PHE 1 447 VAL 1 448 PHE 1 449 GLY 1 450 LEU 1 451 PRO 1 452 LEU 1 453 VAL 1 454 LYS 1 455 GLU 1 456 LEU 1 457 ASN 1 458 TYR 1 459 THR 1 460 ALA 1 461 GLU 1 462 GLU 1 463 GLU 1 464 ALA 1 465 LEU 1 466 SER 1 467 ARG 1 468 ARG 1 469 ILE 1 470 MET 1 471 HIS 1 472 TYR 1 473 TRP 1 474 ALA 1 475 THR 1 476 PHE 1 477 ALA 1 478 LYS 1 479 THR 1 480 GLY 1 481 ASN 1 482 PRO 1 483 ASN 1 484 GLU 1 485 PRO 1 486 HIS 1 487 SER 1 488 GLN 1 489 GLU 1 490 SER 1 491 LYS 1 492 TRP 1 493 PRO 1 494 LEU 1 495 PHE 1 496 THR 1 497 THR 1 498 LYS 1 499 GLU 1 500 GLN 1 501 LYS 1 502 PHE 1 503 ILE 1 504 ASP 1 505 LEU 1 506 ASN 1 507 THR 1 508 GLU 1 509 PRO 1 510 MET 1 511 LYS 1 512 VAL 1 513 HIS 1 514 GLN 1 515 ARG 1 516 LEU 1 517 ARG 1 518 VAL 1 519 GLN 1 520 MET 1 521 CYS 1 522 VAL 1 523 PHE 1 524 TRP 1 525 ASN 1 526 GLN 1 527 PHE 1 528 LEU 1 529 PRO 1 530 LYS 1 531 LEU 1 532 LEU 1 533 ASN 1 534 ALA 1 535 THR 1 536 ALA 1 537 CYS loop_ _entity.id _entity.type _entity.details 1 polymer ; Protein chain: * ; 2 non-polymer 'het group ACH' 3 water 'HOH' loop_ _entity_name_com.entity_id _entity_name_com.name 2 ; ACETYLCHOLINE ; loop_ _struct_asym.entity_id _struct_asym.id 1 * 2 ACH 3 HOH loop_ _struct_ref.id _struct_ref.entity_id _struct_ref.biol_id _struct_ref.db_name _struct_ref.db_code _struct_ref.seq_align _struct_ref.seq_dif _struct_ref.details 1 1 * SWS 'P04058 ACES_TORCA' partial yes . loop_ _struct_ref_seq.align_id _struct_ref_seq.ref_id _struct_ref_seq.seq_align_beg _struct_ref_seq.seq_align_end _struct_ref_seq.db_align_beg _struct_ref_seq.db_align_end _struct_ref_seq.details 1 1 4 484 25 505 . 2 1 490 535 511 556 . loop_ _struct_ref_seq_dif.align_id _struct_ref_seq_dif.seq_num _struct_ref_seq_dif.mon_id _struct_ref_seq_dif.db_seq_num _struct_ref_seq_dif.db_mon_id _struct_ref_seq_dif.details 2 . . 506 PRO 'Chain *: GAP IN PDB ENTRY' 2 . . 507 HIS 'Chain *: GAP IN PDB ENTRY' 2 . . 508 SER 'Chain *: GAP IN PDB ENTRY' 2 . . 509 GLN 'Chain *: GAP IN PDB ENTRY' 2 . . 510 GLU 'Chain *: GAP IN PDB ENTRY' #################### # # # CHEM_COMP # # # #################### loop_ _chem_comp.id _chem_comp.mon_nstd_flag _chem_comp.formula _chem_comp.name _chem_comp.mon_nstd_details ACH no ; C7 H16 N1 O2 1+ ; ; ACETYLCHOLINE ; ; ; HOH no ; 204(H2 O1) ; ; ; ; ; ALA yes 'C3 H7 N1 O2' "Alanine" . ARG yes 'C6 H14 N4 O2' "Arginine" . ASN yes 'C4 H8 N2 O3' "Asparagine" . ASP yes 'C4 H7 N1 O4' "Aspartic acid" . CYS yes 'C3 H7 N1 O2 S1' "Cysteine" . GLN yes 'C5 H10 N2 O3' "Glutamine" . GLU yes 'C5 H9 N1 O4' "Glutamic acid" . GLY yes 'C2 H5 N1 O2' "Glycine" . HIS yes 'C6 H9 N3 O2' "Histidine" . ILE yes 'C6 H13 N1 O2' "Isoleucine" . LEU yes 'C6 H13 N1 O2' "Leucine" . LYS yes 'C6 H14 N2 O2' "Lysine" . MET yes 'C5 H11 N1 O2 S1' "Methionine" . PHE yes 'C9 H11 N1 O2' "Phenylalanine" . PRO yes 'C5 H9 N1 O2' "Proline" . SER yes 'C3 H7 N1 O3' "Serine" . THR yes 'C4 H9 N1 O3' "Threonine" . TRP yes 'C11 H12 N2 O2' "Tryptophan" . TYR yes 'C9 H11 N1 O3' "Tyrosine" . VAL yes 'C5 H11 N1 O2' "Valine" . ###################### # # # ATOM_SITES # # # ###################### loop_ _database_pdb_matrix.entry_id _database_pdb_matrix.origx[1][1] _database_pdb_matrix.origx[1][2] _database_pdb_matrix.origx[1][3] _database_pdb_matrix.origx_vector[1] _database_pdb_matrix.origx[2][1] _database_pdb_matrix.origx[2][2] _database_pdb_matrix.origx[2][3] _database_pdb_matrix.origx_vector[2] _database_pdb_matrix.origx[3][1] _database_pdb_matrix.origx[3][2] _database_pdb_matrix.origx[3][3] _database_pdb_matrix.origx_vector[3] 2ACE 1.000000 0.000000 0.000000 0.00000 0.000000 1.000000 0.000000 0.00000 0.000000 0.000000 1.000000 0.00000 loop_ _atom_sites.entry_id _atom_sites.cartn_transform_axes _atom_sites.fract_transf_matrix[1][1] _atom_sites.fract_transf_matrix[1][2] _atom_sites.fract_transf_matrix[1][3] _atom_sites.fract_transf_vector[1] _atom_sites.fract_transf_matrix[2][1] _atom_sites.fract_transf_matrix[2][2] _atom_sites.fract_transf_matrix[2][3] _atom_sites.fract_transf_vector[2] _atom_sites.fract_transf_matrix[3][1] _atom_sites.fract_transf_matrix[3][2] _atom_sites.fract_transf_matrix[3][3] _atom_sites.fract_transf_vector[3] 2ACE 'See _atom_sites.fract_transf_matrix[i][j]' 0.008896 0.005136 0.000000 0.00000 0.000000 0.010272 0.000000 0.00000 0.000000 0.000000 0.007315 0.00000 #################### # # # ATOM_SITE # # # #################### loop_ _atom_site.label_seq_id _atom_site.auth_asym_id _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.auth_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.footnote_id _atom_site.label_entity_id _atom_site.id 4 . ATOM N N SER * 4 . -12.542 87.338 34.691 1.00 45.63 . 1 1 4 . ATOM C CA SER * 4 . -11.865 87.982 35.872 1.00 44.10 . 1 2 4 . ATOM C C SER * 4 . -10.724 87.090 36.350 1.00 42.02 . 1 3 4 . ATOM O O SER * 4 . -10.816 85.853 36.285 1.00 42.64 . 1 4 4 . ATOM C CB SER * 4 . -12.860 88.168 37.030 1.00 46.45 . 1 5 4 . ATOM O OG SER * 4 . -12.201 88.584 38.249 1.00 48.60 . 1 6 5 . ATOM N N GLU * 5 . -9.678 87.717 36.883 1.00 39.05 . 1 7 5 . ATOM C CA GLU * 5 . -8.509 86.999 37.390 1.00 34.59 . 1 8 5 . ATOM C C GLU * 5 . -8.902 86.053 38.509 1.00 31.22 . 1 9 5 . ATOM O O GLU * 5 . -8.170 85.123 38.803 1.00 30.96 . 1 10 5 . ATOM C CB GLU * 5 . -7.503 88.002 37.915 1.00 34.35 . 1 11 5 . ATOM C CG GLU * 5 . -6.194 87.401 38.248 1.00 36.57 . 1 12 5 . ATOM C CD GLU * 5 . -5.141 88.455 38.508 1.00 39.29 . 1 13 5 . ATOM O OE1 GLU * 5 . -5.505 89.585 38.949 1.00 41.36 . 1 14 5 . ATOM O OE2 GLU * 5 . -3.944 88.153 38.258 1.00 40.16 . 1 15 6 . ATOM N N LEU * 6 . -10.072 86.283 39.104 1.00 27.93 . 1 16 6 . ATOM C CA LEU * 6 . -10.549 85.460 40.201 1.00 27.35 . 1 17 6 . ATOM C C LEU * 6 . -11.604 84.461 39.798 1.00 28.45 . 1 18 6 . ATOM O O LEU * 6 . -12.010 83.591 40.576 1.00 29.12 . 1 19 6 . ATOM C CB LEU * 6 . -11.077 86.346 41.317 1.00 26.13 . 1 20 6 . ATOM C CG LEU * 6 . -10.086 87.414 41.763 1.00 24.28 . 1 21 6 . ATOM C CD1 LEU * 6 . -10.708 88.197 42.864 1.00 24.95 . 1 22 6 . ATOM C CD2 LEU * 6 . -8.827 86.777 42.251 1.00 23.62 . 1 23 7 . ATOM N N LEU * 7 . -12.104 84.590 38.590 1.00 29.38 . 1 24 7 . ATOM C CA LEU * 7 . -13.101 83.636 38.148 1.00 29.87 . 1 25 7 . ATOM C C LEU * 7 . -12.321 82.664 37.300 1.00 29.80 . 1 26 7 . ATOM O O LEU * 7 . -11.556 83.086 36.413 1.00 31.94 . 1 27 7 . ATOM C CB LEU * 7 . -14.147 84.327 37.297 1.00 31.75 . 1 28 7 . ATOM C CG LEU * 7 . -15.288 83.419 36.871 1.00 34.00 . 1 29 7 . ATOM C CD1 LEU * 7 . -16.131 83.081 38.088 1.00 35.28 . 1 30 7 . ATOM C CD2 LEU * 7 . -16.147 84.139 35.831 1.00 37.55 . 1 31 8 . ATOM N N VAL * 8 . -12.412 81.382 37.605 1.00 26.83 . 1 32 8 . ATOM C CA VAL * 8 . -11.703 80.412 36.806 1.00 25.45 . 1 33 8 . ATOM C C VAL * 8 . -12.642 79.299 36.422 1.00 26.73 . 1 34 8 . ATOM O O VAL * 8 . -13.614 79.020 37.118 1.00 26.77 . 1 35 8 . ATOM C CB VAL * 8 . -10.494 79.872 37.534 1.00 23.39 . 1 36 8 . ATOM C CG1 VAL * 8 . -9.958 78.656 36.837 1.00 22.24 . 1 37 8 . ATOM C CG2 VAL * 8 . -9.431 80.905 37.532 1.00 21.17 . 1 38 9 . ATOM N N ASN * 9 . -12.425 78.724 35.254 1.00 27.26 . 1 39 9 . ATOM C CA ASN * 9 . -13.287 77.645 34.834 1.00 27.31 . 1 40 9 . ATOM C C ASN * 9 . -12.494 76.391 34.944 1.00 26.09 . 1 41 9 . ATOM O O ASN * 9 . -11.298 76.373 34.634 1.00 27.68 . 1 42 9 . ATOM C CB ASN * 9 . -13.715 77.830 33.401 1.00 30.54 . 1 43 9 . ATOM C CG ASN * 9 . -15.141 78.213 33.290 1.00 31.84 . 1 44 9 . ATOM O OD1 ASN * 9 . -16.030 77.346 33.336 1.00 33.60 . 1 45 9 . ATOM N ND2 ASN * 9 . -15.397 79.524 33.177 1.00 33.08 . 1 46 10 . ATOM N N THR * 10 . -13.143 75.334 35.380 1.00 22.94 . 1 47 10 . ATOM C CA THR * 10 . -12.445 74.096 35.522 1.00 23.00 . 1 48 10 . ATOM C C THR * 10 . -13.399 73.053 35.023 1.00 22.60 . 1 49 10 . ATOM O O THR * 10 . -14.579 73.306 34.915 1.00 22.29 . 1 50 10 . ATOM C CB THR * 10 . -12.166 73.829 37.012 1.00 23.26 . 1 51 10 . ATOM O OG1 THR * 10 . -13.412 73.706 37.714 1.00 22.81 . 1 52 10 . ATOM C CG2 THR * 10 . -11.382 74.947 37.602 1.00 19.73 . 1 53 11 . ATOM N N LYS * 11 . -12.917 71.847 34.804 1.00 22.16 . 1 54 11 . ATOM C CA LYS * 11 . -13.795 70.800 34.355 1.00 21.59 . 1 55 11 . ATOM C C LYS * 11 . -14.849 70.432 35.410 1.00 23.48 . 1 56 11 . ATOM O O LYS * 11 . -15.738 69.632 35.124 1.00 26.32 . 1 57 11 . ATOM C CB LYS * 11 . -12.960 69.596 33.958 1.00 19.60 . 1 58 11 . ATOM C CG LYS * 11 . -11.806 70.011 33.068 1.00 17.31 . 1 59 11 . ATOM C CD LYS * 11 . -10.930 68.864 32.651 1.00 15.24 . 1 60 11 . ATOM C CE LYS * 11 . -9.781 69.398 31.890 1.00 13.26 . 1 61 11 . ATOM N NZ LYS * 11 . -8.725 68.390 31.809 1.00 14.46 . 1 62 12 . ATOM N N SER * 12 . -14.776 71.008 36.616 1.00 24.15 . 1 63 12 . ATOM C CA SER * 12 . -15.766 70.707 37.682 1.00 23.78 . 1 64 12 . ATOM C C SER * 12 . -16.857 71.753 37.851 1.00 22.02 . 1 65 12 . ATOM O O SER * 12 . -17.963 71.455 38.318 1.00 20.83 . 1 66 12 . ATOM C CB SER * 12 . -15.071 70.521 39.029 1.00 25.28 . 1 67 12 . ATOM O OG SER * 12 . -14.287 69.337 39.053 1.00 26.22 . 1 68 13 . ATOM N N GLY * 13 . -16.520 72.988 37.520 1.00 21.38 . 1 69 13 . ATOM C CA GLY * 13 . -17.458 74.083 37.619 1.00 21.89 . 1 70 13 . ATOM C C GLY * 13 . -16.627 75.339 37.685 1.00 23.88 . 1 71 13 . ATOM O O GLY * 13 . -15.402 75.273 37.614 1.00 24.19 . 1 72 14 . ATOM N N LYS * 14 . -17.262 76.497 37.739 1.00 27.22 . 1 73 14 . ATOM C CA LYS * 14 . -16.500 77.746 37.846 1.00 29.06 . 1 74 14 . ATOM C C LYS * 14 . -16.130 77.880 39.328 1.00 29.19 . 1 75 14 . ATOM O O LYS * 14 . -16.809 77.314 40.203 1.00 29.22 . 1 76 14 . ATOM C CB LYS * 14 . -17.338 78.943 37.362 1.00 30.15 . 1 77 14 . ATOM C CG LYS * 14 . -17.953 78.706 36.000 1.00 31.92 . 1 78 14 . ATOM C CD LYS * 14 . -18.914 79.791 35.610 1.00 34.75 . 1 79 14 . ATOM C CE LYS * 14 . -19.663 79.434 34.316 1.00 36.73 . 1 80 14 . ATOM N NZ LYS * 14 . -20.593 78.255 34.482 1.00 39.24 . 1 81 15 . ATOM N N VAL * 15 . -15.124 78.689 39.614 1.00 28.44 . 1 82 15 . ATOM C CA VAL * 15 . -14.622 78.850 40.960 1.00 27.03 . 1 83 15 . ATOM C C VAL * 15 . -14.327 80.316 41.096 1.00 27.80 . 1 84 15 . ATOM O O VAL * 15 . -13.732 80.897 40.204 1.00 28.02 . 1 85 15 . ATOM C CB VAL * 15 . -13.330 78.030 41.067 1.00 25.78 . 1 86 15 . ATOM C CG1 VAL * 15 . -12.274 78.777 41.758 1.00 26.64 . 1 87 15 . ATOM C CG2 VAL * 15 . -13.588 76.719 41.730 1.00 25.49 . 1 88 16 . ATOM N N MET * 16 . -14.679 80.904 42.230 1.00 29.81 . 1 89 16 . ATOM C CA MET * 16 . -14.481 82.334 42.457 1.00 31.26 . 1 90 16 . ATOM C C MET * 16 . -13.490 82.503 43.593 1.00 31.30 . 1 91 16 . ATOM O O MET * 16 . -13.786 82.205 44.752 1.00 32.07 . 1 92 16 . ATOM C CB MET * 16 . -15.835 82.975 42.821 1.00 34.00 . 1 93 16 . ATOM C CG MET * 16 . -15.844 84.457 43.156 1.00 36.16 . 1 94 16 . ATOM S SD MET * 16 . -15.753 85.494 41.713 1.00 39.23 . 1 95 16 . ATOM C CE MET * 16 . -14.609 86.772 42.316 1.00 38.52 . 1 96 17 . ATOM N N GLY * 17 . -12.297 82.941 43.260 1.00 31.28 . 1 97 17 . ATOM C CA GLY * 17 . -11.290 83.110 44.275 1.00 32.21 . 1 98 17 . ATOM C C GLY * 17 . -11.410 84.442 44.955 1.00 32.53 . 1 99 17 . ATOM O O GLY * 17 . -12.465 85.054 44.976 1.00 34.16 . 1 100 18 . ATOM N N THR * 18 . -10.315 84.871 45.547 1.00 32.60 . 1 101 18 . ATOM C CA THR * 18 . -10.254 86.131 46.235 1.00 32.94 . 1 102 18 . ATOM C C THR * 18 . -8.814 86.508 46.070 1.00 32.78 . 1 103 18 . ATOM O O THR * 18 . -7.961 85.637 45.840 1.00 32.60 . 1 104 18 . ATOM C CB THR * 18 . -10.507 85.971 47.712 1.00 33.82 . 1 105 18 . ATOM O OG1 THR * 18 . -10.348 87.247 48.340 1.00 36.62 . 1 106 18 . ATOM C CG2 THR * 18 . -9.491 85.021 48.324 1.00 34.59 . 1 107 19 . ATOM N N ARG * 19 . -8.515 87.786 46.183 1.00 33.67 . 1 108 19 . ATOM C CA ARG * 19 . -7.131 88.172 46.014 1.00 34.94 . 1 109 19 . ATOM C C ARG * 19 . -6.609 88.521 47.372 1.00 33.75 . 1 110 19 . ATOM O O ARG * 19 . -7.282 89.189 48.149 1.00 34.61 . 1 111 19 . ATOM C CB ARG * 19 . -6.993 89.329 45.037 1.00 37.26 . 1 112 19 . ATOM C CG ARG * 19 . -7.326 90.672 45.560 1.00 41.67 . 1 113 19 . ATOM C CD ARG * 19 . -6.895 91.718 44.524 1.00 46.63 . 1 114 19 . ATOM N NE ARG * 19 . -5.579 91.385 43.958 1.00 51.81 . 1 115 19 . ATOM C CZ ARG * 19 . -4.794 92.248 43.298 1.00 55.30 . 1 116 19 . ATOM N NH1 ARG * 19 . -5.181 93.532 43.127 1.00 56.43 . 1 117 19 . ATOM N NH2 ARG * 19 . -3.650 91.812 42.729 1.00 56.12 . 1 118 20 . ATOM N N VAL * 20 . -5.466 87.958 47.709 1.00 33.31 . 1 119 20 . ATOM C CA VAL * 20 . -4.877 88.192 49.011 1.00 32.19 . 1 120 20 . ATOM C C VAL * 20 . -3.681 89.120 48.875 1.00 30.88 . 1 121 20 . ATOM O O VAL * 20 . -3.028 89.154 47.823 1.00 30.61 . 1 122 20 . ATOM C CB VAL * 20 . -4.435 86.855 49.606 1.00 32.76 . 1 123 20 . ATOM C CG1 VAL * 20 . -5.663 85.954 49.780 1.00 32.59 . 1 124 20 . ATOM C CG2 VAL * 20 . -3.435 86.168 48.653 1.00 32.13 . 1 125 21 . ATOM N N PRO * 21 . -3.441 89.966 49.884 1.00 29.59 . 1 126 21 . ATOM C CA PRO * 21 . -2.289 90.875 49.789 1.00 28.73 . 1 127 21 . ATOM C C PRO * 21 . -1.058 90.106 50.196 1.00 27.42 . 1 128 21 . ATOM O O PRO * 21 . -1.153 89.246 51.060 1.00 27.29 . 1 129 21 . ATOM C CB PRO * 21 . -2.626 91.965 50.808 1.00 29.00 . 1 130 21 . ATOM C CG PRO * 21 . -3.453 91.208 51.850 1.00 29.07 . 1 131 21 . ATOM C CD PRO * 21 . -4.327 90.311 51.011 1.00 29.02 . 1 132 22 . ATOM N N VAL * 22 . 0.071 90.354 49.542 1.00 27.18 . 1 133 22 . ATOM C CA VAL * 22 . 1.324 89.669 49.864 1.00 27.36 . 1 134 22 . ATOM C C VAL * 22 . 2.419 90.698 49.734 1.00 28.56 . 1 135 22 . ATOM O O VAL * 22 . 2.452 91.424 48.740 1.00 30.08 . 1 136 22 . ATOM C CB VAL * 22 . 1.733 88.593 48.837 1.00 25.53 . 1 137 22 . ATOM C CG1 VAL * 22 . 2.712 87.644 49.479 1.00 24.02 . 1 138 22 . ATOM C CG2 VAL * 22 . 0.546 87.879 48.257 1.00 23.49 . 1 139 23 . ATOM N N LEU * 23 . 3.335 90.708 50.694 1.00 29.02 . 1 140 23 . ATOM C CA LEU * 23 . 4.472 91.612 50.705 1.00 30.92 . 1 141 23 . ATOM C C LEU * 23 . 4.298 92.866 49.851 1.00 32.74 . 1 142 23 . ATOM O O LEU * 23 . 4.961 93.024 48.822 1.00 33.96 . 1 143 23 . ATOM C CB LEU * 23 . 5.710 90.865 50.234 1.00 30.74 . 1 144 23 . ATOM C CG LEU * 23 . 5.972 89.527 50.913 1.00 30.71 . 1 145 23 . ATOM C CD1 LEU * 23 . 6.907 88.670 50.094 1.00 31.74 . 1 146 23 . ATOM C CD2 LEU * 23 . 6.550 89.793 52.253 1.00 31.46 . 1 147 24 . ATOM N N SER * 24 . 3.360 93.720 50.216 1.00 33.71 . 1 148 24 . ATOM C CA SER * 24 . 3.172 94.950 49.443 1.00 36.41 . 1 149 24 . ATOM C C SER * 24 . 2.825 94.636 47.993 1.00 35.29 . 1 150 24 . ATOM O O SER * 24 . 3.440 95.175 47.062 1.00 37.64 . 1 151 24 . ATOM C CB SER * 24 . 4.462 95.790 49.459 1.00 38.08 . 1 152 24 . ATOM O OG SER * 24 . 5.423 95.311 48.502 1.00 40.32 . 1 153 25 . ATOM N N SER * 25 . 1.823 93.795 47.803 1.00 33.22 . 1 154 25 . ATOM C CA SER * 25 . 1.406 93.401 46.481 1.00 30.65 . 1 155 25 . ATOM C C SER * 25 . 0.252 92.451 46.705 1.00 29.93 . 1 156 25 . ATOM O O SER * 25 . -0.296 92.405 47.803 1.00 29.94 . 1 157 25 . ATOM C CB SER * 25 . 2.553 92.696 45.784 1.00 30.65 . 1 158 25 . ATOM O OG SER * 25 . 2.162 92.360 44.465 1.00 32.21 . 1 159 26 . ATOM N N HIS * 26 . -0.152 91.690 45.698 1.00 29.70 . 1 160 26 . ATOM C CA HIS * 26 . -1.284 90.785 45.906 1.00 29.64 . 1 161 26 . ATOM C C HIS * 26 . -1.221 89.582 44.980 1.00 29.93 . 1 162 26 . ATOM O O HIS * 26 . -0.334 89.491 44.115 1.00 32.07 . 1 163 26 . ATOM C CB HIS * 26 . -2.599 91.530 45.664 1.00 29.88 . 1 164 26 . ATOM C CG HIS * 26 . -2.703 92.838 46.396 1.00 32.04 . 1 165 27 . ATOM N N ILE * 27 . -2.126 88.634 45.187 1.00 27.91 . 1 166 27 . ATOM C CA ILE * 27 . -2.199 87.466 44.333 1.00 25.73 . 1 167 27 . ATOM C C ILE * 27 . -3.584 86.908 44.494 1.00 24.93 . 1 168 27 . ATOM O O ILE * 27 . -4.358 87.398 45.319 1.00 24.21 . 1 169 27 . ATOM C CB ILE * 27 . -1.223 86.402 44.711 1.00 26.86 . 1 170 27 . ATOM C CG1 ILE * 27 . -1.458 85.982 46.145 1.00 27.65 . 1 171 27 . ATOM C CG2 ILE * 27 . 0.204 86.897 44.525 1.00 28.06 . 1 172 27 . ATOM C CD1 ILE * 27 . -0.587 84.832 46.532 1.00 30.42 . 1 173 28 . ATOM N N SER * 28 . -3.917 85.911 43.690 1.00 24.30 . 1 174 28 . ATOM C CA SER * 28 . -5.239 85.317 43.763 1.00 24.25 . 1 175 28 . ATOM C C SER * 28 . -5.134 84.138 44.684 1.00 23.41 . 1 176 28 . ATOM O O SER * 28 . -4.048 83.590 44.859 1.00 23.47 . 1 177 28 . ATOM C CB SER * 28 . -5.678 84.809 42.392 1.00 24.72 . 1 178 28 . ATOM O OG SER * 28 . -5.407 85.757 41.379 1.00 29.18 . 1 179 29 . ATOM N N ALA * 29 . -6.253 83.713 45.240 1.00 21.90 . 1 180 29 . ATOM C CA ALA * 29 . -6.257 82.569 46.112 1.00 20.23 . 1 181 29 . ATOM C C ALA * 29 . -7.590 81.976 45.828 1.00 20.63 . 1 182 29 . ATOM O O ALA * 29 . -8.591 82.700 45.733 1.00 21.86 . 1 183 29 . ATOM C CB ALA * 29 . -6.185 83.003 47.560 1.00 18.99 . 1 184 30 . ATOM N N PHE * 30 . -7.603 80.687 45.576 1.00 20.13 . 1 185 30 . ATOM C CA PHE * 30 . -8.847 79.991 45.324 1.00 21.57 . 1 186 30 . ATOM C C PHE * 30 . -8.738 79.027 46.481 1.00 22.44 . 1 187 30 . ATOM O O PHE * 30 . -7.874 78.149 46.469 1.00 25.76 . 1 188 30 . ATOM C CB PHE * 30 . -8.787 79.317 43.937 1.00 20.52 . 1 189 30 . ATOM C CG PHE * 30 . -8.640 80.309 42.805 1.00 19.49 . 1 190 30 . ATOM C CD1 PHE * 30 . -7.406 80.834 42.488 1.00 16.98 . 1 191 30 . ATOM C CD2 PHE * 30 . -9.761 80.803 42.144 1.00 18.80 . 1 192 30 . ATOM C CE1 PHE * 30 . -7.289 81.840 41.549 1.00 18.44 . 1 193 30 . ATOM C CE2 PHE * 30 . -9.657 81.800 41.211 1.00 18.10 . 1 194 30 . ATOM C CZ PHE * 30 . -8.423 82.326 40.911 1.00 19.88 . 1 195 31 . ATOM N N LEU * 31 . -9.510 79.249 47.538 1.00 21.13 . 1 196 31 . ATOM C CA LEU * 31 . -9.380 78.413 48.721 1.00 19.06 . 1 197 31 . ATOM C C LEU * 31 . -10.599 77.581 48.978 1.00 19.71 . 1 198 31 . ATOM O O LEU * 31 . -11.713 78.055 48.882 1.00 19.58 . 1 199 31 . ATOM C CB LEU * 31 . -9.107 79.286 49.931 1.00 16.07 . 1 200 31 . ATOM C CG LEU * 31 . -8.051 80.356 49.803 1.00 13.97 . 1 201 31 . ATOM C CD1 LEU * 31 . -8.361 81.418 50.789 1.00 15.53 . 1 202 31 . ATOM C CD2 LEU * 31 . -6.694 79.799 50.006 1.00 14.55 . 1 203 32 . ATOM N N GLY * 32 . -10.375 76.337 49.347 1.00 20.17 . 1 204 32 . ATOM C CA GLY * 32 . -11.483 75.454 49.616 1.00 21.07 . 1 205 32 . ATOM C C GLY * 32 . -12.187 74.843 48.418 1.00 22.32 . 1 206 32 . ATOM O O GLY * 32 . -13.395 74.565 48.502 1.00 23.36 . 1 207 33 . ATOM N N ILE * 33 . -11.470 74.586 47.326 1.00 20.06 . 1 208 33 . ATOM C CA ILE * 33 . -12.113 73.999 46.151 1.00 19.99 . 1 209 33 . ATOM C C ILE * 33 . -12.216 72.529 46.472 1.00 19.74 . 1 210 33 . ATOM O O ILE * 33 . -11.240 71.924 46.852 1.00 21.59 . 1 211 33 . ATOM C CB ILE * 33 . -11.242 74.173 44.901 1.00 19.01 . 1 212 33 . ATOM C CG1 ILE * 33 . -11.071 75.655 44.590 1.00 19.56 . 1 213 33 . ATOM C CG2 ILE * 33 . -11.860 73.468 43.739 1.00 16.55 . 1 214 33 . ATOM C CD1 ILE * 33 . -9.745 75.982 43.922 1.00 20.70 . 1 215 34 . ATOM N N PRO * 34 . -13.381 71.926 46.325 1.00 19.81 . 1 216 34 . ATOM C CA PRO * 34 . -13.462 70.499 46.646 1.00 21.21 . 1 217 34 . ATOM C C PRO * 34 . -12.961 69.563 45.539 1.00 23.20 . 1 218 34 . ATOM O O PRO * 34 . -13.092 69.865 44.345 1.00 27.08 . 1 219 34 . ATOM C CB PRO * 34 . -14.943 70.310 46.922 1.00 20.13 . 1 220 34 . ATOM C CG PRO * 34 . -15.576 71.255 45.956 1.00 21.28 . 1 221 34 . ATOM C CD PRO * 34 . -14.697 72.480 45.987 1.00 21.01 . 1 222 35 . ATOM N N PHE * 35 . -12.383 68.428 45.915 1.00 22.65 . 1 223 35 . ATOM C CA PHE * 35 . -11.895 67.490 44.920 1.00 21.82 . 1 224 35 . ATOM C C PHE * 35 . -12.496 66.115 45.074 1.00 22.55 . 1 225 35 . ATOM O O PHE * 35 . -12.158 65.207 44.297 1.00 25.58 . 1 226 35 . ATOM C CB PHE * 35 . -10.375 67.391 44.961 1.00 21.78 . 1 227 35 . ATOM C CG PHE * 35 . -9.828 66.866 46.267 1.00 22.77 . 1 228 35 . ATOM C CD1 PHE * 35 . -10.040 65.558 46.655 1.00 23.61 . 1 229 35 . ATOM C CD2 PHE * 35 . -9.073 67.677 47.089 1.00 23.08 . 1 230 35 . ATOM C CE1 PHE * 35 . -9.513 65.078 47.821 1.00 21.65 . 1 231 35 . ATOM C CE2 PHE * 35 . -8.552 67.197 48.245 1.00 21.45 . 1 232 35 . ATOM C CZ PHE * 35 . -8.770 65.901 48.609 1.00 20.26 . 1 233 36 . ATOM N N ALA * 36 . -13.379 65.951 46.060 1.00 20.32 . 1 234 36 . ATOM C CA ALA * 36 . -14.029 64.667 46.314 1.00 19.00 . 1 235 36 . ATOM C C ALA * 36 . -15.394 64.837 46.946 1.00 19.85 . 1 236 36 . ATOM O O ALA * 36 . -15.733 65.894 47.467 1.00 19.85 . 1 237 36 . ATOM C CB ALA * 36 . -13.179 63.853 47.216 1.00 17.19 . 1 238 37 . ATOM N N GLU * 37 . -16.203 63.797 46.904 1.00 21.79 . 1 239 37 . ATOM C CA GLU * 37 . -17.505 63.887 47.548 1.00 23.45 . 1 240 37 . ATOM C C GLU * 37 . -17.194 63.855 49.038 1.00 23.21 . 1 241 37 . ATOM O O GLU * 37 . -16.249 63.186 49.441 1.00 22.61 . 1 242 37 . ATOM C CB GLU * 37 . -18.370 62.689 47.170 1.00 24.28 . 1 243 37 . ATOM C CG GLU * 37 . -18.886 62.772 45.747 1.00 28.92 . 1 244 37 . ATOM C CD GLU * 37 . -19.719 64.018 45.523 1.00 30.58 . 1 245 37 . ATOM O OE1 GLU * 37 . -20.816 64.107 46.120 1.00 32.06 . 1 246 37 . ATOM O OE2 GLU * 37 . -19.267 64.924 44.779 1.00 30.81 . 1 247 38 . ATOM N N PRO * 38 . -17.912 64.639 49.852 1.00 21.97 . 1 248 38 . ATOM C CA PRO * 38 . -17.706 64.689 51.296 1.00 21.21 . 1 249 38 . ATOM C C PRO * 38 . -17.833 63.280 51.765 1.00 20.79 . 1 250 38 . ATOM O O PRO * 38 . -18.884 62.681 51.596 1.00 22.53 . 1 251 38 . ATOM C CB PRO * 38 . -18.894 65.490 51.770 1.00 21.53 . 1 252 38 . ATOM C CG PRO * 38 . -19.077 66.470 50.674 1.00 23.58 . 1 253 38 . ATOM C CD PRO * 38 . -18.937 65.606 49.439 1.00 23.90 . 1 254 39 . ATOM N N PRO * 39 . -16.782 62.737 52.383 1.00 20.05 . 1 255 39 . ATOM C CA PRO * 39 . -16.677 61.377 52.910 1.00 20.23 . 1 256 39 . ATOM C C PRO * 39 . -17.473 61.092 54.186 1.00 21.16 . 1 257 39 . ATOM O O PRO * 39 . -17.061 60.287 55.025 1.00 20.85 . 1 258 39 . ATOM C CB PRO * 39 . -15.182 61.249 53.150 1.00 19.97 . 1 259 39 . ATOM C CG PRO * 39 . -14.842 62.581 53.626 1.00 19.16 . 1 260 39 . ATOM C CD PRO * 39 . -15.571 63.499 52.695 1.00 18.47 . 1 261 40 . ATOM N N VAL * 40 . -18.648 61.688 54.284 1.00 21.51 . 1 262 40 . ATOM C CA VAL * 40 . -19.490 61.537 55.445 1.00 23.07 . 1 263 40 . ATOM C C VAL * 40 . -20.397 60.312 55.391 1.00 25.31 . 1 264 40 . ATOM O O VAL * 40 . -20.351 59.520 54.445 1.00 27.68 . 1 265 40 . ATOM C CB VAL * 40 . -20.338 62.761 55.586 1.00 22.50 . 1 266 40 . ATOM C CG1 VAL * 40 . -19.458 63.959 55.823 1.00 20.64 . 1 267 40 . ATOM C CG2 VAL * 40 . -21.135 62.957 54.310 1.00 22.14 . 1 268 41 . ATOM N N GLY * 41 . -21.178 60.120 56.447 1.00 25.93 . 1 269 41 . ATOM C CA GLY * 41 . -22.112 59.006 56.524 1.00 26.55 . 1 270 41 . ATOM C C GLY * 41 . -21.553 57.656 56.155 1.00 27.31 . 1 271 41 . ATOM O O GLY * 41 . -20.445 57.315 56.536 1.00 28.77 . 1 272 42 . ATOM N N ASN * 42 . -22.292 56.905 55.347 1.00 28.52 . 1 273 42 . ATOM C CA ASN * 42 . -21.865 55.572 54.941 1.00 27.86 . 1 274 42 . ATOM C C ASN * 42 . -20.591 55.570 54.113 1.00 27.95 . 1 275 42 . ATOM O O ASN * 42 . -20.047 54.503 53.801 1.00 27.65 . 1 276 42 . ATOM C CB ASN * 42 . -22.983 54.871 54.177 1.00 28.87 . 1 277 43 . ATOM N N MET * 43 . -20.110 56.750 53.751 1.00 27.47 . 1 278 43 . ATOM C CA MET * 43 . -18.888 56.813 52.969 1.00 27.24 . 1 279 43 . ATOM C C MET * 43 . -17.643 56.851 53.852 1.00 26.55 . 1 280 43 . ATOM O O MET * 43 . -16.526 56.779 53.349 1.00 26.67 . 1 281 43 . ATOM C CB MET * 43 . -18.905 58.008 51.998 1.00 30.68 . 1 282 43 . ATOM C CG MET * 43 . -19.796 57.828 50.725 1.00 33.35 . 1 283 43 . ATOM S SD MET * 43 . -19.187 58.877 49.340 1.00 36.83 . 1 284 43 . ATOM C CE MET * 43 . -20.244 60.302 49.469 1.00 35.04 . 1 285 44 . ATOM N N ARG * 44 . -17.822 56.936 55.166 1.00 24.97 . 1 286 44 . ATOM C CA ARG * 44 . -16.682 56.974 56.075 1.00 23.62 . 1 287 44 . ATOM C C ARG * 44 . -15.867 55.713 55.902 1.00 22.49 . 1 288 44 . ATOM O O ARG * 44 . -16.410 54.625 55.856 1.00 22.21 . 1 289 44 . ATOM C CB ARG * 44 . -17.147 57.095 57.536 1.00 25.41 . 1 290 44 . ATOM C CG ARG * 44 . -16.005 57.018 58.554 1.00 24.69 . 1 291 44 . ATOM C CD ARG * 44 . -16.483 56.919 59.969 1.00 24.31 . 1 292 44 . ATOM N NE ARG * 44 . -17.096 58.162 60.417 1.00 24.01 . 1 293 44 . ATOM C CZ ARG * 44 . -17.717 58.291 61.586 1.00 24.50 . 1 294 44 . ATOM N NH1 ARG * 44 . -17.800 57.258 62.418 1.00 23.35 . 1 295 44 . ATOM N NH2 ARG * 44 . -18.290 59.437 61.912 1.00 23.59 . 1 296 45 . ATOM N N PHE * 45 . -14.560 55.885 55.806 1.00 22.66 . 1 297 45 . ATOM C CA PHE * 45 . -13.608 54.807 55.621 1.00 22.65 . 1 298 45 . ATOM C C PHE * 45 . -13.535 54.417 54.149 1.00 23.34 . 1 299 45 . ATOM O O PHE * 45 . -12.600 53.740 53.729 1.00 24.15 . 1 300 45 . ATOM C CB PHE * 45 . -13.994 53.582 56.425 1.00 23.23 . 1 301 45 . ATOM C CG PHE * 45 . -14.198 53.843 57.878 1.00 24.66 . 1 302 45 . ATOM C CD1 PHE * 45 . -13.287 54.583 58.603 1.00 26.10 . 1 303 45 . ATOM C CD2 PHE * 45 . -15.289 53.302 58.542 1.00 24.86 . 1 304 45 . ATOM C CE1 PHE * 45 . -13.458 54.778 59.975 1.00 24.96 . 1 305 45 . ATOM C CE2 PHE * 45 . -15.455 53.493 59.900 1.00 24.79 . 1 306 45 . ATOM C CZ PHE * 45 . -14.537 54.232 60.612 1.00 25.28 . 1 307 46 . ATOM N N ARG * 46 . -14.524 54.824 53.361 1.00 24.71 . 1 308 46 . ATOM C CA ARG * 46 . -14.546 54.487 51.934 1.00 26.35 . 1 309 46 . ATOM C C ARG * 46 . -13.552 55.245 51.083 1.00 24.82 . 1 310 46 . ATOM O O ARG * 46 . -13.102 56.324 51.444 1.00 26.05 . 1 311 46 . ATOM C CB ARG * 46 . -15.955 54.654 51.341 1.00 27.18 . 1 312 46 . ATOM C CG ARG * 46 . -16.831 53.448 51.612 1.00 28.80 . 1 313 46 . ATOM C CD ARG * 46 . -18.030 53.376 50.684 1.00 31.97 . 1 314 46 . ATOM N NE ARG * 46 . -18.872 52.202 50.987 1.00 35.01 . 1 315 47 . ATOM N N ARG * 47 . -13.242 54.710 49.912 1.00 24.18 . 1 316 47 . ATOM C CA ARG * 47 . -12.312 55.388 49.052 1.00 22.10 . 1 317 47 . ATOM C C ARG * 47 . -12.941 56.677 48.619 1.00 21.12 . 1 318 47 . ATOM O O ARG * 47 . -14.168 56.825 48.619 1.00 20.61 . 1 319 47 . ATOM C CB ARG * 47 . -11.998 54.533 47.867 1.00 24.53 . 1 320 47 . ATOM C CG ARG * 47 . -11.508 53.177 48.282 1.00 31.09 . 1 321 47 . ATOM C CD ARG * 47 . -10.699 52.515 47.164 1.00 34.46 . 1 322 47 . ATOM N NE ARG * 47 . -10.338 51.146 47.502 1.00 38.88 . 1 323 47 . ATOM C CZ ARG * 47 . -9.328 50.489 46.937 1.00 42.95 . 1 324 47 . ATOM N NH1 ARG * 47 . -8.580 51.081 45.992 1.00 44.70 . 1 325 47 . ATOM N NH2 ARG * 47 . -9.059 49.235 47.321 1.00 43.90 . 1 326 48 . ATOM N N PRO * 48 . -12.111 57.655 48.285 1.00 20.42 . 1 327 48 . ATOM C CA PRO * 48 . -12.674 58.922 47.859 1.00 21.85 . 1 328 48 . ATOM C C PRO * 48 . -13.394 58.792 46.518 1.00 24.92 . 1 329 48 . ATOM O O PRO * 48 . -13.034 57.976 45.646 1.00 26.48 . 1 330 48 . ATOM C CB PRO * 48 . -11.470 59.841 47.837 1.00 20.41 . 1 331 48 . ATOM C CG PRO * 48 . -10.352 58.940 47.580 1.00 20.77 . 1 332 48 . ATOM C CD PRO * 48 . -10.650 57.701 48.339 1.00 20.06 . 1 333 49 . ATOM N N GLU * 49 . -14.429 59.609 46.387 1.00 26.78 . 1 334 49 . ATOM C CA GLU * 49 . -15.332 59.672 45.257 1.00 27.23 . 1 335 49 . ATOM C C GLU * 49 . -15.107 61.014 44.610 1.00 26.64 . 1 336 49 . ATOM O O GLU * 49 . -14.987 62.023 45.300 1.00 26.50 . 1 337 49 . ATOM C CB GLU * 49 . -16.715 59.636 45.833 1.00 31.33 . 1 338 49 . ATOM C CG GLU * 49 . -17.826 59.860 44.891 1.00 38.28 . 1 339 49 . ATOM C CD GLU * 49 . -18.869 58.791 45.095 1.00 42.70 . 1 340 49 . ATOM O OE1 GLU * 49 . -18.411 57.626 45.329 1.00 43.89 . 1 341 49 . ATOM O OE2 GLU * 49 . -20.106 59.098 45.020 1.00 44.16 . 1 342 50 . ATOM N N PRO * 50 . -15.068 61.065 43.287 1.00 26.29 . 1 343 50 . ATOM C CA PRO * 50 . -14.840 62.324 42.579 1.00 26.08 . 1 344 50 . ATOM C C PRO * 50 . -15.941 63.314 42.845 1.00 25.90 . 1 345 50 . ATOM O O PRO * 50 . -17.078 62.939 43.021 1.00 27.48 . 1 346 50 . ATOM C CB PRO * 50 . -14.811 61.893 41.114 1.00 27.23 . 1 347 50 . ATOM C CG PRO * 50 . -14.452 60.408 41.175 1.00 28.45 . 1 348 50 . ATOM C CD PRO * 50 . -15.273 59.957 42.344 1.00 27.83 . 1 349 51 . ATOM N N LYS * 51 . -15.607 64.586 42.877 1.00 26.30 . 1 350 51 . ATOM C CA LYS * 51 . -16.601 65.594 43.143 1.00 27.88 . 1 351 51 . ATOM C C LYS * 51 . -17.541 65.722 41.963 1.00 29.49 . 1 352 51 . ATOM O O LYS * 51 . -17.085 66.061 40.869 1.00 31.13 . 1 353 51 . ATOM C CB LYS * 51 . -15.875 66.918 43.364 1.00 27.38 . 1 354 51 . ATOM C CG LYS * 51 . -16.759 68.112 43.644 1.00 27.70 . 1 355 51 . ATOM C CD LYS * 51 . -17.675 67.911 44.840 1.00 26.30 . 1 356 51 . ATOM C CE LYS * 51 . -18.429 69.205 45.104 1.00 26.85 . 1 357 51 . ATOM N NZ LYS * 51 . -19.591 68.980 46.002 1.00 30.22 . 1 358 52 . ATOM N N LYS * 52 . -18.819 65.381 42.134 1.00 30.54 . 1 359 52 . ATOM C CA LYS * 52 . -19.789 65.551 41.042 1.00 31.56 . 1 360 52 . ATOM C C LYS * 52 . -19.605 67.022 40.693 1.00 31.48 . 1 361 52 . ATOM O O LYS * 52 . -19.508 67.850 41.589 1.00 30.69 . 1 362 52 . ATOM C CB LYS * 52 . -21.247 65.398 41.514 1.00 33.45 . 1 363 52 . ATOM C CG LYS * 52 . -21.601 64.227 42.445 1.00 36.93 . 1 364 52 . ATOM C CD LYS * 52 . -21.290 62.832 41.872 1.00 39.95 . 1 365 52 . ATOM C CE LYS * 52 . -19.775 62.553 41.834 1.00 42.32 . 1 366 52 . ATOM N NZ LYS * 52 . -19.405 61.074 41.820 1.00 44.86 . 1 367 53 . ATOM N N PRO * 53 . -19.533 67.367 39.397 1.00 31.55 . 1 368 53 . ATOM C CA PRO * 53 . -19.358 68.783 39.078 1.00 31.13 . 1 369 53 . ATOM C C PRO * 53 . -20.531 69.535 39.650 1.00 32.24 . 1 370 53 . ATOM O O PRO * 53 . -21.512 68.921 40.110 1.00 31.74 . 1 371 53 . ATOM C CB PRO * 53 . -19.399 68.791 37.561 1.00 30.13 . 1 372 53 . ATOM C CG PRO * 53 . -18.882 67.447 37.205 1.00 30.13 . 1 373 53 . ATOM C CD PRO * 53 . -19.640 66.576 38.160 1.00 31.02 . 1 374 54 . ATOM N N TRP * 54 . -20.449 70.858 39.575 1.00 33.08 . 1 375 54 . ATOM C CA TRP * 54 . -21.493 71.733 40.097 1.00 33.76 . 1 376 54 . ATOM C C TRP * 54 . -21.794 72.817 39.048 1.00 35.55 . 1 377 54 . ATOM O O TRP * 54 . -21.181 72.842 37.970 1.00 37.28 . 1 378 54 . ATOM C CB TRP * 54 . -21.005 72.384 41.422 1.00 30.08 . 1 379 54 . ATOM C CG TRP * 54 . -19.705 73.184 41.347 1.00 24.65 . 1 380 54 . ATOM C CD1 TRP * 54 . -19.573 74.508 41.025 1.00 24.76 . 1 381 54 . ATOM C CD2 TRP * 54 . -18.370 72.700 41.581 1.00 23.00 . 1 382 54 . ATOM N NE1 TRP * 54 . -18.231 74.877 41.026 1.00 22.47 . 1 383 54 . ATOM C CE2 TRP * 54 . -17.482 73.782 41.367 1.00 22.14 . 1 384 54 . ATOM C CE3 TRP * 54 . -17.840 71.460 41.941 1.00 22.64 . 1 385 54 . ATOM C CZ2 TRP * 54 . -16.109 73.652 41.504 1.00 20.68 . 1 386 54 . ATOM C CZ3 TRP * 54 . -16.464 71.337 42.072 1.00 21.42 . 1 387 54 . ATOM C CH2 TRP * 54 . -15.620 72.427 41.853 1.00 19.93 . 1 388 55 . ATOM N N SER * 55 . -22.775 73.673 39.310 1.00 37.34 . 1 389 55 . ATOM C CA SER * 55 . -23.037 74.754 38.377 1.00 38.81 . 1 390 55 . ATOM C C SER * 55 . -23.126 76.027 39.218 1.00 38.67 . 1 391 55 . ATOM O O SER * 55 . -23.627 76.011 40.366 1.00 38.25 . 1 392 55 . ATOM C CB SER * 55 . -24.323 74.532 37.600 1.00 40.24 . 1 393 55 . ATOM O OG SER * 55 . -25.441 74.634 38.478 1.00 45.64 . 1 394 56 . ATOM N N GLY * 56 . -22.605 77.119 38.664 1.00 38.13 . 1 395 56 . ATOM C CA GLY * 56 . -22.631 78.371 39.386 1.00 35.84 . 1 396 56 . ATOM C C GLY * 56 . -21.220 78.520 39.842 1.00 33.89 . 1 397 56 . ATOM O O GLY * 56 . -20.446 77.580 39.727 1.00 34.56 . 1 398 57 . ATOM N N VAL * 57 . -20.845 79.703 40.288 1.00 31.99 . 1 399 57 . ATOM C CA VAL * 57 . -19.499 79.873 40.718 1.00 30.98 . 1 400 57 . ATOM C C VAL * 57 . -19.356 79.252 42.093 1.00 30.50 . 1 401 57 . ATOM O O VAL * 57 . -20.253 79.395 42.915 1.00 31.89 . 1 402 57 . ATOM C CB VAL * 57 . -19.147 81.356 40.793 1.00 31.05 . 1 403 57 . ATOM C CG1 VAL * 57 . -17.657 81.517 40.738 1.00 32.66 . 1 404 57 . ATOM C CG2 VAL * 57 . -19.753 82.095 39.632 1.00 30.56 . 1 405 58 . ATOM N N TRP * 58 . -18.322 78.444 42.301 1.00 29.57 . 1 406 58 . ATOM C CA TRP * 58 . -18.069 77.885 43.622 1.00 27.70 . 1 407 58 . ATOM C C TRP * 58 . -17.273 79.028 44.249 1.00 29.29 . 1 408 58 . ATOM O O TRP * 58 . -16.382 79.598 43.602 1.00 27.99 . 1 409 58 . ATOM C CB TRP * 58 . -17.182 76.650 43.569 1.00 26.73 . 1 410 58 . ATOM C CG TRP * 58 . -16.935 76.108 44.936 1.00 26.09 . 1 411 58 . ATOM C CD1 TRP * 58 . -16.002 76.546 45.841 1.00 24.35 . 1 412 58 . ATOM C CD2 TRP * 58 . -17.691 75.094 45.601 1.00 24.47 . 1 413 58 . ATOM N NE1 TRP * 58 . -16.145 75.872 47.029 1.00 24.25 . 1 414 58 . ATOM C CE2 TRP * 58 . -17.176 74.976 46.909 1.00 25.11 . 1 415 58 . ATOM C CE3 TRP * 58 . -18.759 74.279 45.218 1.00 24.96 . 1 416 58 . ATOM C CZ2 TRP * 58 . -17.693 74.072 47.842 1.00 24.55 . 1 417 58 . ATOM C CZ3 TRP * 58 . -19.278 73.371 46.146 1.00 26.38 . 1 418 58 . ATOM C CH2 TRP * 58 . -18.738 73.280 47.445 1.00 27.31 . 1 419 59 . ATOM N N ASN * 59 . -17.593 79.357 45.501 1.00 30.86 . 1 420 59 . ATOM C CA ASN * 59 . -16.962 80.461 46.215 1.00 31.49 . 1 421 59 . ATOM C C ASN * 59 . -15.742 80.024 46.989 1.00 31.04 . 1 422 59 . ATOM O O ASN * 59 . -15.841 79.582 48.129 1.00 33.91 . 1 423 59 . ATOM C CB ASN * 59 . -17.954 81.080 47.183 1.00 33.90 . 1 424 59 . ATOM C CG ASN * 59 . -17.419 82.360 47.788 1.00 38.27 . 1 425 59 . ATOM O OD1 ASN * 59 . -16.185 82.601 47.784 1.00 41.69 . 1 426 59 . ATOM N ND2 ASN * 59 . -18.317 83.220 48.276 1.00 40.59 . 1 427 60 . ATOM N N ALA * 60 . -14.575 80.199 46.412 1.00 29.09 . 1 428 60 . ATOM C CA ALA * 60 . -13.380 79.765 47.079 1.00 26.68 . 1 429 60 . ATOM C C ALA * 60 . -12.715 80.937 47.729 1.00 26.52 . 1 430 60 . ATOM O O ALA * 60 . -11.528 81.155 47.508 1.00 25.56 . 1 431 60 . ATOM C CB ALA * 60 . -12.453 79.153 46.092 1.00 25.30 . 1 432 61 . ATOM N N SER * 61 . -13.451 81.711 48.521 1.00 26.74 . 1 433 61 . ATOM C CA SER * 61 . -12.822 82.863 49.160 1.00 27.90 . 1 434 61 . ATOM C C SER * 61 . -12.309 82.650 50.591 1.00 28.24 . 1 435 61 . ATOM O O SER * 61 . -11.678 83.546 51.176 1.00 29.00 . 1 436 61 . ATOM C CB SER * 61 . -13.752 84.077 49.091 1.00 28.26 . 1 437 61 . ATOM O OG SER * 61 . -15.059 83.768 49.554 1.00 28.90 . 1 438 62 . ATOM N N THR * 62 . -12.559 81.473 51.161 1.00 28.53 . 1 439 62 . ATOM C CA THR * 62 . -12.117 81.186 52.526 1.00 28.66 . 1 440 62 . ATOM C C THR * 62 . -11.771 79.722 52.750 1.00 26.72 . 1 441 62 . ATOM O O THR * 62 . -12.487 78.833 52.265 1.00 27.14 . 1 442 62 . ATOM C CB THR * 62 . -13.225 81.490 53.516 1.00 29.63 . 1 443 62 . ATOM O OG1 THR * 62 . -14.427 80.857 53.053 1.00 29.06 . 1 444 62 . ATOM C CG2 THR * 62 . -13.440 82.991 53.651 1.00 29.65 . 1 445 63 . ATOM N N TYR * 63 . -10.793 79.498 53.629 1.00 24.58 . 1 446 63 . ATOM C CA TYR * 63 . -10.309 78.173 53.979 1.00 22.01 . 1 447 63 . ATOM C C TYR * 63 . -11.409 77.224 54.376 1.00 20.75 . 1 448 63 . ATOM O O TYR * 63 . -12.369 77.606 54.995 1.00 20.15 . 1 449 63 . ATOM C CB TYR * 63 . -9.347 78.264 55.136 1.00 20.67 . 1 450 63 . ATOM C CG TYR * 63 . -7.957 78.666 54.775 1.00 22.08 . 1 451 63 . ATOM C CD1 TYR * 63 . -7.269 78.036 53.755 1.00 23.93 . 1 452 63 . ATOM C CD2 TYR * 63 . -7.279 79.599 55.534 1.00 22.79 . 1 453 63 . ATOM C CE1 TYR * 63 . -5.923 78.321 53.521 1.00 23.97 . 1 454 63 . ATOM C CE2 TYR * 63 . -5.951 79.889 55.310 1.00 21.48 . 1 455 63 . ATOM C CZ TYR * 63 . -5.278 79.241 54.320 1.00 23.31 . 1 456 63 . ATOM O OH TYR * 63 . -3.926 79.432 54.213 1.00 25.75 . 1 457 64 . ATOM N N PRO * 64 . -11.232 75.951 54.073 1.00 20.67 . 1 458 64 . ATOM C CA PRO * 64 . -12.185 74.890 54.376 1.00 20.81 . 1 459 64 . ATOM C C PRO * 64 . -12.064 74.288 55.781 1.00 21.45 . 1 460 64 . ATOM O O PRO * 64 . -11.134 74.589 56.521 1.00 22.44 . 1 461 64 . ATOM C CB PRO * 64 . -11.844 73.855 53.315 1.00 21.14 . 1 462 64 . ATOM C CG PRO * 64 . -10.371 74.013 53.149 1.00 18.71 . 1 463 64 . ATOM C CD PRO * 64 . -10.152 75.477 53.188 1.00 19.27 . 1 464 65 . ATOM N N ASN * 65 . -12.986 73.405 56.141 1.00 19.92 . 1 465 65 . ATOM C CA ASN * 65 . -12.906 72.770 57.429 1.00 21.11 . 1 466 65 . ATOM C C ASN * 65 . -11.660 71.920 57.394 1.00 21.64 . 1 467 65 . ATOM O O ASN * 65 . -11.081 71.695 56.341 1.00 23.04 . 1 468 65 . ATOM C CB ASN * 65 . -14.069 71.829 57.662 1.00 23.04 . 1 469 65 . ATOM C CG ASN * 65 . -15.394 72.504 57.569 1.00 26.16 . 1 470 65 . ATOM O OD1 ASN * 65 . -15.603 73.608 58.087 1.00 27.61 . 1 471 65 . ATOM N ND2 ASN * 65 . -16.323 71.842 56.900 1.00 28.24 . 1 472 66 . ATOM N N ASN * 66 . -11.276 71.402 58.546 1.00 22.50 . 1 473 66 . ATOM C CA ASN * 66 . -10.117 70.550 58.657 1.00 20.31 . 1 474 66 . ATOM C C ASN * 66 . -10.661 69.203 58.984 1.00 19.92 . 1 475 66 . ATOM O O ASN * 66 . -11.782 69.088 59.468 1.00 19.70 . 1 476 66 . ATOM C CB ASN * 66 . -9.228 71.043 59.764 1.00 21.69 . 1 477 66 . ATOM C CG ASN * 66 . -8.568 72.324 59.412 1.00 23.88 . 1 478 66 . ATOM O OD1 ASN * 66 . -7.621 72.742 60.061 1.00 24.80 . 1 479 66 . ATOM N ND2 ASN * 66 . -9.014 72.938 58.330 1.00 27.19 . 1 480 67 . ATOM N N CYS * 67 . -9.903 68.174 58.663 1.00 18.93 . 1 481 67 . ATOM C CA CYS * 67 . -10.357 66.830 58.893 1.00 20.18 . 1 482 67 . ATOM C C CYS * 67 . -10.363 66.544 60.373 1.00 21.32 . 1 483 67 . ATOM O O CYS * 67 . -9.562 67.115 61.123 1.00 21.14 . 1 484 67 . ATOM C CB CYS * 67 . -9.468 65.846 58.125 1.00 22.13 . 1 485 67 . ATOM S SG CYS * 67 . -9.510 66.095 56.305 1.00 20.69 . 1 486 68 . ATOM N N GLN * 68 . -11.295 65.700 60.804 1.00 21.34 . 1 487 68 . ATOM C CA GLN * 68 . -11.402 65.363 62.200 1.00 21.11 . 1 488 68 . ATOM C C GLN * 68 . -10.069 64.842 62.605 1.00 21.97 . 1 489 68 . ATOM O O GLN * 68 . -9.451 64.109 61.844 1.00 23.28 . 1 490 68 . ATOM C CB GLN * 68 . -12.413 64.274 62.385 1.00 20.74 . 1 491 68 . ATOM C CG GLN * 68 . -13.757 64.693 61.981 1.00 24.66 . 1 492 68 . ATOM C CD GLN * 68 . -14.526 65.366 63.079 1.00 28.19 . 1 493 68 . ATOM O OE1 GLN * 68 . -15.756 65.479 63.000 1.00 32.49 . 1 494 68 . ATOM N NE2 GLN * 68 . -13.840 65.780 64.133 1.00 29.12 . 1 495 69 . ATOM N N GLN * 69 . -9.632 65.169 63.815 1.00 22.83 . 1 496 69 . ATOM C CA GLN * 69 . -8.329 64.715 64.265 1.00 21.99 . 1 497 69 . ATOM C C GLN * 69 . -8.076 65.042 65.707 1.00 22.43 . 1 498 69 . ATOM O O GLN * 69 . -8.696 65.937 66.287 1.00 22.35 . 1 499 69 . ATOM C CB GLN * 69 . -7.252 65.424 63.464 1.00 21.52 . 1 500 69 . ATOM C CG GLN * 69 . -7.296 66.936 63.594 1.00 18.11 . 1 501 69 . ATOM C CD GLN * 69 . -6.388 67.604 62.610 1.00 19.88 . 1 502 69 . ATOM O OE1 GLN * 69 . -5.190 67.741 62.847 1.00 18.53 . 1 503 69 . ATOM N NE2 GLN * 69 . -6.944 68.016 61.484 1.00 20.44 . 1 504 70 . ATOM N N TYR * 70 . -7.046 64.401 66.221 1.00 21.44 . 1 505 70 . ATOM C CA TYR * 70 . -6.619 64.586 67.567 1.00 21.19 . 1 506 70 . ATOM C C TYR * 70 . -6.006 65.980 67.709 1.00 21.28 . 1 507 70 . ATOM O O TYR * 70 . -5.053 66.319 67.022 1.00 21.55 . 1 508 70 . ATOM C CB TYR * 70 . -5.611 63.503 67.873 1.00 22.75 . 1 509 70 . ATOM C CG TYR * 70 . -4.993 63.651 69.212 1.00 25.99 . 1 510 70 . ATOM C CD1 TYR * 70 . -5.707 63.350 70.362 1.00 27.11 . 1 511 70 . ATOM C CD2 TYR * 70 . -3.734 64.201 69.339 1.00 25.93 . 1 512 70 . ATOM C CE1 TYR * 70 . -5.181 63.617 71.605 1.00 28.30 . 1 513 70 . ATOM C CE2 TYR * 70 . -3.204 64.468 70.566 1.00 28.96 . 1 514 70 . ATOM C CZ TYR * 70 . -3.931 64.187 71.695 1.00 29.03 . 1 515 70 . ATOM O OH TYR * 70 . -3.414 64.562 72.918 1.00 34.47 . 1 516 71 . ATOM N N VAL * 71 . -6.616 66.824 68.526 1.00 21.68 . 1 517 71 . ATOM C CA VAL * 71 . -6.108 68.177 68.749 1.00 23.24 . 1 518 71 . ATOM C C VAL * 71 . -5.161 68.044 69.929 1.00 25.65 . 1 519 71 . ATOM O O VAL * 71 . -5.448 67.271 70.844 1.00 29.38 . 1 520 71 . ATOM C CB VAL * 71 . -7.241 69.115 69.127 1.00 20.99 . 1 521 71 . ATOM C CG1 VAL * 71 . -6.722 70.508 69.406 1.00 20.50 . 1 522 71 . ATOM C CG2 VAL * 71 . -8.245 69.137 68.020 1.00 21.48 . 1 523 72 . ATOM N N ASP * 72 . -4.036 68.756 69.907 1.00 26.23 . 1 524 72 . ATOM C CA ASP * 72 . -3.026 68.685 70.967 1.00 26.42 . 1 525 72 . ATOM C C ASP * 72 . -3.304 69.714 72.036 1.00 28.60 . 1 526 72 . ATOM O O ASP * 72 . -3.312 70.923 71.765 1.00 28.73 . 1 527 72 . ATOM C CB ASP * 72 . -1.651 68.974 70.380 1.00 25.81 . 1 528 72 . ATOM C CG ASP * 72 . -0.542 68.930 71.393 1.00 23.83 . 1 529 72 . ATOM O OD1 ASP * 72 . -0.619 68.156 72.350 1.00 25.76 . 1 530 72 . ATOM O OD2 ASP * 72 . 0.454 69.638 71.200 1.00 24.42 . 1 531 73 . ATOM N N GLU * 73 . -3.464 69.245 73.272 1.00 29.84 . 1 532 73 . ATOM C CA GLU * 73 . -3.718 70.146 74.374 1.00 29.15 . 1 533 73 . ATOM C C GLU * 73 . -2.621 70.031 75.388 1.00 28.69 . 1 534 73 . ATOM O O GLU * 73 . -2.755 70.518 76.483 1.00 30.99 . 1 535 73 . ATOM C CB GLU * 73 . -5.048 69.827 75.026 1.00 30.84 . 1 536 73 . ATOM C CG GLU * 73 . -6.140 69.586 74.037 1.00 34.31 . 1 537 73 . ATOM C CD GLU * 73 . -7.401 70.309 74.381 1.00 36.97 . 1 538 73 . ATOM O OE1 GLU * 73 . -7.372 71.572 74.385 1.00 40.97 . 1 539 73 . ATOM O OE2 GLU * 73 . -8.423 69.622 74.628 1.00 38.79 . 1 540 74 . ATOM N N GLN * 74 . -1.526 69.382 75.039 1.00 28.10 . 1 541 74 . ATOM C CA GLN * 74 . -0.426 69.255 75.973 1.00 27.96 . 1 542 74 . ATOM C C GLN * 74 . 0.035 70.597 76.583 1.00 27.81 . 1 543 74 . ATOM O O GLN * 74 . 0.336 70.665 77.790 1.00 28.56 . 1 544 74 . ATOM C CB GLN * 74 . 0.746 68.570 75.298 1.00 29.80 . 1 545 74 . ATOM C CG GLN * 74 . 1.214 67.317 76.007 1.00 34.79 . 1 546 74 . ATOM C CD GLN * 74 . 1.835 67.620 77.364 1.00 38.87 . 1 547 74 . ATOM O OE1 GLN * 74 . 3.058 67.495 77.542 1.00 42.22 . 1 548 74 . ATOM N NE2 GLN * 74 . 1.006 68.040 78.324 1.00 40.99 . 1 549 75 . ATOM N N PHE * 75 . 0.054 71.660 75.778 1.00 25.45 . 1 550 75 . ATOM C CA PHE * 75 . 0.507 72.970 76.224 1.00 22.07 . 1 551 75 . ATOM C C PHE * 75 . -0.484 74.024 75.786 1.00 23.38 . 1 552 75 . ATOM O O PHE * 75 . -0.134 74.978 75.091 1.00 22.42 . 1 553 75 . ATOM C CB PHE * 75 . 1.872 73.281 75.638 1.00 20.23 . 1 554 75 . ATOM C CG PHE * 75 . 2.901 72.267 75.968 1.00 23.31 . 1 555 75 . ATOM C CD1 PHE * 75 . 3.308 72.071 77.273 1.00 24.47 . 1 556 75 . ATOM C CD2 PHE * 75 . 3.449 71.474 74.987 1.00 24.40 . 1 557 75 . ATOM C CE1 PHE * 75 . 4.245 71.087 77.591 1.00 24.93 . 1 558 75 . ATOM C CE2 PHE * 75 . 4.385 70.494 75.297 1.00 24.46 . 1 559 75 . ATOM C CZ PHE * 75 . 4.780 70.300 76.598 1.00 24.81 . 1 560 76 . ATOM N N PRO * 76 . -1.711 73.939 76.313 1.00 24.70 . 1 561 76 . ATOM C CA PRO * 76 . -2.789 74.869 75.988 1.00 24.12 . 1 562 76 . ATOM C C PRO * 76 . -2.279 76.289 75.951 1.00 25.48 . 1 563 76 . ATOM O O PRO * 76 . -1.595 76.730 76.877 1.00 26.47 . 1 564 76 . ATOM C CB PRO * 76 . -3.759 74.668 77.141 1.00 23.66 . 1 565 76 . ATOM C CG PRO * 76 . -3.544 73.248 77.535 1.00 22.77 . 1 566 76 . ATOM C CD PRO * 76 . -2.044 73.168 77.527 1.00 22.99 . 1 567 77 . ATOM N N GLY * 77 . -2.538 76.973 74.845 1.00 25.61 . 1 568 77 . ATOM C CA GLY * 77 . -2.103 78.351 74.716 1.00 25.35 . 1 569 77 . ATOM C C GLY * 77 . -0.665 78.505 74.256 1.00 25.71 . 1 570 77 . ATOM O O GLY * 77 . -0.271 79.566 73.753 1.00 27.32 . 1 571 78 . ATOM N N PHE * 78 . 0.155 77.484 74.445 1.00 23.16 . 1 572 78 . ATOM C CA PHE * 78 . 1.512 77.627 73.996 1.00 20.24 . 1 573 78 . ATOM C C PHE * 78 . 1.479 77.675 72.470 1.00 21.48 . 1 574 78 . ATOM O O PHE * 78 . 1.078 76.716 71.825 1.00 22.58 . 1 575 78 . ATOM C CB PHE * 78 . 2.354 76.465 74.471 1.00 16.25 . 1 576 78 . ATOM C CG PHE * 78 . 3.794 76.620 74.150 1.00 14.10 . 1 577 78 . ATOM C CD1 PHE * 78 . 4.417 77.844 74.300 1.00 12.82 . 1 578 78 . ATOM C CD2 PHE * 78 . 4.520 75.567 73.669 1.00 12.26 . 1 579 78 . ATOM C CE1 PHE * 78 . 5.736 78.008 73.969 1.00 12.34 . 1 580 78 . ATOM C CE2 PHE * 78 . 5.833 75.732 73.343 1.00 14.01 . 1 581 78 . ATOM C CZ PHE * 78 . 6.437 76.951 73.491 1.00 11.07 . 1 582 79 . ATOM N N SER * 79 . 1.902 78.784 71.885 1.00 21.39 . 1 583 79 . ATOM C CA SER * 79 . 1.909 78.917 70.440 1.00 21.94 . 1 584 79 . ATOM C C SER * 79 . 2.772 77.859 69.801 1.00 22.10 . 1 585 79 . ATOM O O SER * 79 . 2.367 77.216 68.835 1.00 23.89 . 1 586 79 . ATOM C CB SER * 79 . 2.416 80.285 70.029 1.00 21.85 . 1 587 79 . ATOM O OG SER * 79 . 3.752 80.439 70.441 1.00 24.77 . 1 588 80 . ATOM N N GLY * 80 . 3.933 77.614 70.376 1.00 21.81 . 1 589 80 . ATOM C CA GLY * 80 . 4.817 76.617 69.811 1.00 21.72 . 1 590 80 . ATOM C C GLY * 80 . 4.130 75.319 69.442 1.00 23.06 . 1 591 80 . ATOM O O GLY * 80 . 4.624 74.580 68.605 1.00 24.43 . 1 592 81 . ATOM N N SER * 81 . 2.987 75.022 70.042 1.00 22.77 . 1 593 81 . ATOM C CA SER * 81 . 2.328 73.774 69.740 1.00 23.11 . 1 594 81 . ATOM C C SER * 81 . 0.970 73.969 69.128 1.00 22.89 . 1 595 81 . ATOM O O SER * 81 . 0.496 73.123 68.394 1.00 21.75 . 1 596 81 . ATOM C CB SER * 81 . 2.188 72.941 71.007 1.00 23.45 . 1 597 81 . ATOM O OG SER * 81 . 1.169 73.461 71.828 1.00 22.46 . 1 598 82 . ATOM N N GLU * 82 . 0.319 75.071 69.456 1.00 24.35 . 1 599 82 . ATOM C CA GLU * 82 . -1.008 75.308 68.928 1.00 26.27 . 1 600 82 . ATOM C C GLU * 82 . -0.913 75.743 67.485 1.00 25.46 . 1 601 82 . ATOM O O GLU * 82 . -1.880 75.639 66.729 1.00 26.39 . 1 602 82 . ATOM C CB GLU * 82 . -1.755 76.358 69.764 1.00 27.84 . 1 603 82 . ATOM C CG GLU * 82 . -1.672 76.072 71.260 1.00 31.64 . 1 604 82 . ATOM C CD GLU * 82 . -3.006 75.916 71.946 1.00 33.90 . 1 605 82 . ATOM O OE1 GLU * 82 . -3.696 76.953 72.064 1.00 36.99 . 1 606 82 . ATOM O OE2 GLU * 82 . -3.343 74.779 72.415 1.00 35.00 . 1 607 83 . ATOM N N MET * 83 . 0.262 76.187 67.072 1.00 24.18 . 1 608 83 . ATOM C CA MET * 83 . 0.403 76.630 65.706 1.00 22.20 . 1 609 83 . ATOM C C MET * 83 . 0.178 75.476 64.745 1.00 22.08 . 1 610 83 . ATOM O O MET * 83 . 0.067 75.699 63.538 1.00 21.76 . 1 611 83 . ATOM C CB MET * 83 . 1.784 77.212 65.480 1.00 22.57 . 1 612 83 . ATOM C CG MET * 83 . 2.836 76.178 65.383 1.00 22.60 . 1 613 83 . ATOM S SD MET * 83 . 4.229 76.849 64.575 1.00 26.51 . 1 614 83 . ATOM C CE MET * 83 . 4.314 78.492 65.301 1.00 26.27 . 1 615 84 . ATOM N N TRP * 84 . 0.158 74.259 65.288 1.00 20.58 . 1 616 84 . ATOM C CA TRP * 84 . -0.045 73.041 64.523 1.00 20.25 . 1 617 84 . ATOM C C TRP * 84 . -1.433 72.477 64.689 1.00 21.46 . 1 618 84 . ATOM O O TRP * 84 . -1.759 71.459 64.088 1.00 23.09 . 1 619 84 . ATOM C CB TRP * 84 . 0.916 71.956 64.985 1.00 19.94 . 1 620 84 . ATOM C CG TRP * 84 . 2.325 72.348 64.904 1.00 21.54 . 1 621 84 . ATOM C CD1 TRP * 84 . 3.138 72.665 65.943 1.00 21.40 . 1 622 84 . ATOM C CD2 TRP * 84 . 3.101 72.529 63.711 1.00 21.28 . 1 623 84 . ATOM N NE1 TRP * 84 . 4.370 73.046 65.479 1.00 23.08 . 1 624 84 . ATOM C CE2 TRP * 84 . 4.375 72.969 64.108 1.00 22.83 . 1 625 84 . ATOM C CE3 TRP * 84 . 2.839 72.371 62.349 1.00 18.70 . 1 626 84 . ATOM C CZ2 TRP * 84 . 5.389 73.255 63.185 1.00 20.62 . 1 627 84 . ATOM C CZ3 TRP * 84 . 3.837 72.651 61.446 1.00 16.80 . 1 628 84 . ATOM C CH2 TRP * 84 . 5.093 73.087 61.864 1.00 18.55 . 1 629 85 . ATOM N N ASN * 85 . -2.234 73.074 65.552 1.00 20.53 . 1 630 85 . ATOM C CA ASN * 85 . -3.568 72.547 65.776 1.00 20.62 . 1 631 85 . ATOM C C ASN * 85 . -4.498 73.083 64.724 1.00 19.32 . 1 632 85 . ATOM O O ASN * 85 . -4.320 74.174 64.215 1.00 18.39 . 1 633 85 . ATOM C CB ASN * 85 . -4.121 72.956 67.157 1.00 23.48 . 1 634 85 . ATOM C CG ASN * 85 . -3.628 72.076 68.315 1.00 24.52 . 1 635 85 . ATOM O OD1 ASN * 85 . -3.420 70.865 68.180 1.00 22.84 . 1 636 85 . ATOM N ND2 ASN * 85 . -3.484 72.696 69.480 1.00 25.55 . 1 637 86 . ATOM N N PRO * 86 . -5.580 72.363 64.475 1.00 18.17 . 1 638 86 . ATOM C CA PRO * 86 . -6.548 72.777 63.487 1.00 18.76 . 1 639 86 . ATOM C C PRO * 86 . -7.038 74.139 63.881 1.00 20.20 . 1 640 86 . ATOM O O PRO * 86 . -7.439 74.324 65.029 1.00 22.50 . 1 641 86 . ATOM C CB PRO * 86 . -7.651 71.752 63.683 1.00 17.34 . 1 642 86 . ATOM C CG PRO * 86 . -6.897 70.554 64.111 1.00 17.88 . 1 643 86 . ATOM C CD PRO * 86 . -6.019 71.126 65.126 1.00 17.46 . 1 644 87 . ATOM N N ASN * 87 . -7.010 75.078 62.943 1.00 20.21 . 1 645 87 . ATOM C CA ASN * 87 . -7.489 76.421 63.192 1.00 19.65 . 1 646 87 . ATOM C C ASN * 87 . -8.804 76.681 62.504 1.00 19.39 . 1 647 87 . ATOM O O ASN * 87 . -9.086 77.811 62.162 1.00 18.01 . 1 648 87 . ATOM C CB ASN * 87 . -6.466 77.471 62.749 1.00 23.03 . 1 649 87 . ATOM C CG ASN * 87 . -6.053 77.318 61.300 1.00 26.70 . 1 650 87 . ATOM O OD1 ASN * 87 . -6.531 76.433 60.598 1.00 28.46 . 1 651 87 . ATOM N ND2 ASN * 87 . -5.122 78.151 60.858 1.00 26.68 . 1 652 88 . ATOM N N ARG * 88 . -9.596 75.636 62.278 1.00 19.18 . 1 653 88 . ATOM C CA ARG * 88 . -10.901 75.775 61.637 1.00 19.69 . 1 654 88 . ATOM C C ARG * 88 . -11.742 74.686 62.230 1.00 20.21 . 1 655 88 . ATOM O O ARG * 88 . -11.230 73.803 62.891 1.00 20.90 . 1 656 88 . ATOM C CB ARG * 88 . -10.849 75.514 60.133 1.00 22.52 . 1 657 88 . ATOM C CG ARG * 88 . -10.053 76.489 59.301 1.00 24.24 . 1 658 88 . ATOM C CD ARG * 88 . -10.879 77.663 58.911 1.00 27.04 . 1 659 88 . ATOM N NE ARG * 88 . -10.002 78.821 58.841 1.00 32.46 . 1 660 88 . ATOM C CZ ARG * 88 . -10.396 80.059 58.552 1.00 35.28 . 1 661 88 . ATOM N NH1 ARG * 88 . -11.679 80.313 58.285 1.00 36.40 . 1 662 88 . ATOM N NH2 ARG * 88 . -9.495 81.051 58.570 1.00 36.02 . 1 663 89 . ATOM N N GLU * 89 . -13.043 74.737 61.990 1.00 21.40 . 1 664 89 . ATOM C CA GLU * 89 . -13.943 73.732 62.524 1.00 22.27 . 1 665 89 . ATOM C C GLU * 89 . -13.450 72.461 61.909 1.00 21.03 . 1 666 89 . ATOM O O GLU * 89 . -12.925 72.488 60.817 1.00 21.93 . 1 667 89 . ATOM C CB GLU * 89 . -15.376 74.020 62.080 1.00 24.72 . 1 668 89 . ATOM C CG GLU * 89 . -16.361 72.845 62.289 1.00 27.89 . 1 669 90 . ATOM N N MET * 90 . -13.468 71.377 62.647 1.00 19.79 . 1 670 90 . ATOM C CA MET * 90 . -13.029 70.139 62.071 1.00 19.32 . 1 671 90 . ATOM C C MET * 90 . -14.305 69.559 61.551 1.00 19.57 . 1 672 90 . ATOM O O MET * 90 . -15.368 69.897 62.046 1.00 19.67 . 1 673 90 . ATOM C CB MET * 90 . -12.451 69.233 63.136 1.00 19.12 . 1 674 90 . ATOM C CG MET * 90 . -11.132 69.694 63.680 1.00 21.88 . 1 675 90 . ATOM S SD MET * 90 . -10.534 68.476 64.817 1.00 22.29 . 1 676 90 . ATOM C CE MET * 90 . -11.505 68.883 66.171 1.00 22.14 . 1 677 91 . ATOM N N SER * 91 . -14.227 68.717 60.535 1.00 20.87 . 1 678 91 . ATOM C CA SER * 91 . -15.427 68.110 59.986 1.00 21.87 . 1 679 91 . ATOM C C SER * 91 . -15.029 66.944 59.125 1.00 20.72 . 1 680 91 . ATOM O O SER * 91 . -13.927 66.929 58.591 1.00 19.81 . 1 681 91 . ATOM C CB SER * 91 . -16.165 69.130 59.128 1.00 22.79 . 1 682 91 . ATOM O OG SER * 91 . -17.365 68.572 58.605 1.00 28.51 . 1 683 92 . ATOM N N GLU * 92 . -15.897 65.956 58.998 1.00 21.91 . 1 684 92 . ATOM C CA GLU * 92 . -15.571 64.819 58.144 1.00 23.49 . 1 685 92 . ATOM C C GLU * 92 . -15.615 65.295 56.683 1.00 25.48 . 1 686 92 . ATOM O O GLU * 92 . -15.070 64.633 55.783 1.00 26.91 . 1 687 92 . ATOM C CB GLU * 92 . -16.525 63.644 58.369 1.00 22.76 . 1 688 92 . ATOM C CG GLU * 92 . -16.295 62.913 59.664 1.00 22.88 . 1 689 92 . ATOM C CD GLU * 92 . -16.947 61.564 59.659 1.00 24.66 . 1 690 92 . ATOM O OE1 GLU * 92 . -18.153 61.473 59.923 1.00 25.87 . 1 691 92 . ATOM O OE2 GLU * 92 . -16.268 60.573 59.376 1.00 25.56 . 1 692 93 . ATOM N N ASP * 93 . -16.257 66.451 56.456 1.00 24.44 . 1 693 93 . ATOM C CA ASP * 93 . -16.340 67.073 55.144 1.00 22.60 . 1 694 93 . ATOM C C ASP * 93 . -15.138 67.996 55.078 1.00 20.71 . 1 695 93 . ATOM O O ASP * 93 . -15.258 69.197 55.273 1.00 20.35 . 1 696 93 . ATOM C CB ASP * 93 . -17.644 67.882 55.021 1.00 26.19 . 1 697 93 . ATOM C CG ASP * 93 . -17.775 68.624 53.675 1.00 28.99 . 1 698 93 . ATOM O OD1 ASP * 93 . -16.806 68.629 52.882 1.00 30.26 . 1 699 93 . ATOM O OD2 ASP * 93 . -18.852 69.212 53.396 1.00 31.87 . 1 700 94 . ATOM N N CYS * 94 . -13.975 67.437 54.788 1.00 20.04 . 1 701 94 . ATOM C CA CYS * 94 . -12.776 68.237 54.723 1.00 19.48 . 1 702 94 . ATOM C C CYS * 94 . -11.943 68.071 53.466 1.00 21.31 . 1 703 94 . ATOM O O CYS * 94 . -10.920 68.753 53.320 1.00 21.33 . 1 704 94 . ATOM C CB CYS * 94 . -11.897 67.878 55.881 1.00 19.53 . 1 705 94 . ATOM S SG CYS * 94 . -11.479 66.125 55.878 1.00 18.82 . 1 706 95 . ATOM N N LEU * 95 . -12.343 67.180 52.557 1.00 21.17 . 1 707 95 . ATOM C CA LEU * 95 . -11.546 66.983 51.351 1.00 19.32 . 1 708 95 . ATOM C C LEU * 95 . -11.671 68.182 50.425 1.00 18.69 . 1 709 95 . ATOM O O LEU * 95 . -12.587 68.239 49.604 1.00 19.46 . 1 710 95 . ATOM C CB LEU * 95 . -11.945 65.693 50.653 1.00 16.16 . 1 711 95 . ATOM C CG LEU * 95 . -11.739 64.491 51.550 1.00 15.06 . 1 712 95 . ATOM C CD1 LEU * 95 . -11.982 63.226 50.798 1.00 13.26 . 1 713 95 . ATOM C CD2 LEU * 95 . -10.356 64.513 52.076 1.00 13.99 . 1 714 96 . ATOM N N TYR * 96 . -10.757 69.139 50.582 1.00 16.44 . 1 715 96 . ATOM C CA TYR * 96 . -10.725 70.376 49.796 1.00 15.00 . 1 716 96 . ATOM C C TYR * 96 . -9.288 70.742 49.505 1.00 15.51 . 1 717 96 . ATOM O O TYR * 96 . -8.402 70.306 50.211 1.00 17.97 . 1 718 96 . ATOM C CB TYR * 96 . -11.337 71.520 50.601 1.00 13.89 . 1 719 96 . ATOM C CG TYR * 96 . -12.798 71.333 50.887 1.00 13.34 . 1 720 96 . ATOM C CD1 TYR * 96 . -13.213 70.515 51.893 1.00 13.37 . 1 721 96 . ATOM C CD2 TYR * 96 . -13.765 71.936 50.096 1.00 13.82 . 1 722 96 . ATOM C CE1 TYR * 96 . -14.550 70.282 52.111 1.00 16.98 . 1 723 96 . ATOM C CE2 TYR * 96 . -15.101 71.712 50.301 1.00 13.87 . 1 724 96 . ATOM C CZ TYR * 96 . -15.488 70.880 51.310 1.00 16.39 . 1 725 96 . ATOM O OH TYR * 96 . -16.813 70.611 51.519 1.00 18.06 . 1 726 97 . ATOM N N LEU * 97 . -9.048 71.521 48.458 1.00 15.84 . 1 727 97 . ATOM C CA LEU * 97 . -7.703 71.953 48.125 1.00 15.08 . 1 728 97 . ATOM C C LEU * 97 . -7.708 73.460 48.031 1.00 15.20 . 1 729 97 . ATOM O O LEU * 97 . -8.770 74.057 47.916 1.00 16.60 . 1 730 97 . ATOM C CB LEU * 97 . -7.212 71.308 46.832 1.00 16.38 . 1 731 97 . ATOM C CG LEU * 97 . -7.885 71.427 45.469 1.00 17.59 . 1 732 97 . ATOM C CD1 LEU * 97 . -7.436 72.674 44.765 1.00 19.47 . 1 733 97 . ATOM C CD2 LEU * 97 . -7.445 70.260 44.646 1.00 16.44 . 1 734 98 . ATOM N N ASN * 98 . -6.537 74.068 48.147 1.00 15.64 . 1 735 98 . ATOM C CA ASN * 98 . -6.380 75.520 48.094 1.00 17.11 . 1 736 98 . ATOM C C ASN * 98 . -5.289 75.831 47.063 1.00 17.26 . 1 737 98 . ATOM O O ASN * 98 . -4.243 75.172 47.063 1.00 17.27 . 1 738 98 . ATOM C CB ASN * 98 . -5.913 76.078 49.465 1.00 18.52 . 1 739 98 . ATOM C CG ASN * 98 . -6.749 75.587 50.630 1.00 17.37 . 1 740 98 . ATOM O OD1 ASN * 98 . -7.897 75.973 50.780 1.00 19.01 . 1 741 98 . ATOM N ND2 ASN * 98 . -6.173 74.731 51.455 1.00 15.67 . 1 742 99 . ATOM N N ILE * 99 . -5.504 76.844 46.224 1.00 17.62 . 1 743 99 . ATOM C CA ILE * 99 . -4.534 77.232 45.188 1.00 18.31 . 1 744 99 . ATOM C C ILE * 99 . -4.158 78.705 45.310 1.00 18.48 . 1 745 99 . ATOM O O ILE * 99 . -5.025 79.562 45.450 1.00 19.41 . 1 746 99 . ATOM C CB ILE * 99 . -5.119 77.032 43.742 1.00 17.35 . 1 747 99 . ATOM C CG1 ILE * 99 . -5.620 75.617 43.543 1.00 17.53 . 1 748 99 . ATOM C CG2 ILE * 99 . -4.071 77.281 42.713 1.00 15.39 . 1 749 99 . ATOM C CD1 ILE * 99 . -6.683 75.536 42.529 1.00 19.88 . 1 750 100 . ATOM N N TRP * 100 . -2.875 79.001 45.319 1.00 18.38 . 1 751 100 . ATOM C CA TRP * 100 . -2.454 80.386 45.369 1.00 21.18 . 1 752 100 . ATOM C C TRP * 100 . -1.898 80.555 43.968 1.00 22.97 . 1 753 100 . ATOM O O TRP * 100 . -1.170 79.682 43.516 1.00 25.19 . 1 754 100 . ATOM C CB TRP * 100 . -1.371 80.605 46.435 1.00 19.80 . 1 755 100 . ATOM C CG TRP * 100 . -1.953 80.762 47.788 1.00 19.65 . 1 756 100 . ATOM C CD1 TRP * 100 . -2.451 81.900 48.333 1.00 19.46 . 1 757 100 . ATOM C CD2 TRP * 100 . -2.224 79.717 48.726 1.00 19.21 . 1 758 100 . ATOM N NE1 TRP * 100 . -3.043 81.631 49.543 1.00 19.56 . 1 759 100 . ATOM C CE2 TRP * 100 . -2.915 80.291 49.804 1.00 20.02 . 1 760 100 . ATOM C CE3 TRP * 100 . -1.952 78.348 48.756 1.00 18.74 . 1 761 100 . ATOM C CZ2 TRP * 100 . -3.339 79.542 50.895 1.00 19.32 . 1 762 100 . ATOM C CZ3 TRP * 100 . -2.372 77.608 49.840 1.00 18.52 . 1 763 100 . ATOM C CH2 TRP * 100 . -3.058 78.204 50.893 1.00 19.41 . 1 764 101 . ATOM N N VAL * 101 . -2.293 81.611 43.251 1.00 23.37 . 1 765 101 . ATOM C CA VAL * 101 . -1.833 81.835 41.879 1.00 21.76 . 1 766 101 . ATOM C C VAL * 101 . -1.284 83.230 41.697 1.00 21.37 . 1 767 101 . ATOM O O VAL * 101 . -1.945 84.219 42.020 1.00 21.67 . 1 768 101 . ATOM C CB VAL * 101 . -2.986 81.713 40.875 1.00 22.60 . 1 769 101 . ATOM C CG1 VAL * 101 . -2.439 81.770 39.475 1.00 21.61 . 1 770 101 . ATOM C CG2 VAL * 101 . -3.802 80.433 41.117 1.00 20.30 . 1 771 102 . ATOM N N PRO * 102 . -0.087 83.346 41.148 1.00 20.19 . 1 772 102 . ATOM C CA PRO * 102 . 0.459 84.679 40.960 1.00 21.62 . 1 773 102 . ATOM C C PRO * 102 . -0.465 85.556 40.130 1.00 25.61 . 1 774 102 . ATOM O O PRO * 102 . -1.264 85.059 39.334 1.00 26.60 . 1 775 102 . ATOM C CB PRO * 102 . 1.746 84.400 40.222 1.00 18.37 . 1 776 102 . ATOM C CG PRO * 102 . 2.157 83.106 40.797 1.00 18.20 . 1 777 102 . ATOM C CD PRO * 102 . 0.894 82.321 40.796 1.00 18.64 . 1 778 103 . ATOM N N SER * 103 . -0.407 86.861 40.369 1.00 29.15 . 1 779 103 . ATOM C CA SER * 103 . -1.207 87.807 39.622 1.00 31.01 . 1 780 103 . ATOM C C SER * 103 . -0.222 88.765 39.011 1.00 33.48 . 1 781 103 . ATOM O O SER * 103 . 0.503 89.431 39.746 1.00 34.82 . 1 782 103 . ATOM C CB SER * 103 . -2.098 88.610 40.526 1.00 30.59 . 1 783 103 . ATOM O OG SER * 103 . -2.544 89.752 39.806 1.00 32.20 . 1 784 104 . ATOM N N PRO * 104 . -0.223 88.915 37.663 1.00 35.40 . 1 785 104 . ATOM C CA PRO * 104 . -1.088 88.248 36.686 1.00 34.28 . 1 786 104 . ATOM C C PRO * 104 . -0.926 86.736 36.530 1.00 32.65 . 1 787 104 . ATOM O O PRO * 104 . 0.177 86.199 36.501 1.00 32.33 . 1 788 104 . ATOM C CB PRO * 104 . -0.762 88.992 35.384 1.00 35.47 . 1 789 104 . ATOM C CG PRO * 104 . 0.672 89.313 35.543 1.00 35.49 . 1 790 104 . ATOM C CD PRO * 104 . 0.703 89.838 36.971 1.00 36.63 . 1 791 105 . ATOM N N ARG * 105 . -2.074 86.078 36.448 1.00 32.29 . 1 792 105 . ATOM C CA ARG * 105 . -2.192 84.643 36.277 1.00 32.04 . 1 793 105 . ATOM C C ARG * 105 . -1.232 84.277 35.203 1.00 31.99 . 1 794 105 . ATOM O O ARG * 105 . -1.254 84.886 34.143 1.00 33.51 . 1 795 105 . ATOM C CB ARG * 105 . -3.596 84.306 35.779 1.00 30.39 . 1 796 105 . ATOM C CG ARG * 105 . -3.861 82.823 35.745 1.00 30.97 . 1 797 105 . ATOM C CD ARG * 105 . -5.204 82.501 35.136 1.00 30.67 . 1 798 105 . ATOM N NE ARG * 105 . -6.309 83.155 35.815 1.00 31.41 . 1 799 105 . ATOM C CZ ARG * 105 . -7.581 82.954 35.475 1.00 33.86 . 1 800 105 . ATOM N NH1 ARG * 105 . -7.870 82.112 34.479 1.00 34.60 . 1 801 105 . ATOM N NH2 ARG * 105 . -8.567 83.629 36.075 1.00 33.38 . 1 802 106 . ATOM N N PRO * 106 . -0.343 83.316 35.465 1.00 31.50 . 1 803 106 . ATOM C CA PRO * 106 . 0.661 82.852 34.497 1.00 30.91 . 1 804 106 . ATOM C C PRO * 106 . -0.099 82.059 33.452 1.00 31.01 . 1 805 106 . ATOM O O PRO * 106 . -1.303 81.876 33.609 1.00 30.60 . 1 806 106 . ATOM C CB PRO * 106 . 1.516 81.905 35.327 1.00 29.85 . 1 807 106 . ATOM C CG PRO * 106 . 1.252 82.310 36.737 1.00 30.87 . 1 808 106 . ATOM C CD PRO * 106 . -0.224 82.578 36.722 1.00 30.37 . 1 809 107 . ATOM N N LYS * 107 . 0.571 81.619 32.385 1.00 31.93 . 1 810 107 . ATOM C CA LYS * 107 . -0.102 80.821 31.351 1.00 33.71 . 1 811 107 . ATOM C C LYS * 107 . 0.295 79.379 31.580 1.00 34.00 . 1 812 107 . ATOM O O LYS * 107 . -0.492 78.457 31.345 1.00 34.28 . 1 813 107 . ATOM C CB LYS * 107 . 0.328 81.240 29.945 1.00 33.81 . 1 814 107 . ATOM C CG LYS * 107 . 0.067 82.696 29.609 1.00 34.51 . 1 815 107 . ATOM C CD LYS * 107 . -1.410 83.033 29.624 1.00 37.21 . 1 816 107 . ATOM C CE LYS * 107 . -1.564 84.567 29.667 1.00 40.19 . 1 817 107 . ATOM N NZ LYS * 107 . -2.994 85.051 29.662 1.00 42.96 . 1 818 108 . ATOM N N SER * 108 . 1.548 79.187 31.987 1.00 33.73 . 1 819 108 . ATOM C CA SER * 108 . 2.035 77.853 32.283 1.00 33.66 . 1 820 108 . ATOM C C SER * 108 . 3.245 77.807 33.208 1.00 34.14 . 1 821 108 . ATOM O O SER * 108 . 4.372 77.696 32.700 1.00 37.53 . 1 822 108 . ATOM C CB SER * 108 . 2.390 77.106 31.004 1.00 31.88 . 1 823 108 . ATOM O OG SER * 108 . 1.419 76.113 30.699 1.00 34.82 . 1 824 109 . ATOM N N THR * 109 . 3.059 77.988 34.523 1.00 32.25 . 1 825 109 . ATOM C CA THR * 109 . 4.185 77.842 35.463 1.00 29.09 . 1 826 109 . ATOM C C THR * 109 . 4.167 76.524 36.221 1.00 27.63 . 1 827 109 . ATOM O O THR * 109 . 3.162 75.801 36.286 1.00 26.49 . 1 828 109 . ATOM C CB THR * 109 . 4.230 78.852 36.570 1.00 26.89 . 1 829 109 . ATOM O OG1 THR * 109 . 2.975 79.523 36.669 1.00 28.65 . 1 830 109 . ATOM C CG2 THR * 109 . 5.372 79.791 36.368 1.00 28.52 . 1 831 110 . ATOM N N THR * 110 . 5.302 76.265 36.844 1.00 26.64 . 1 832 110 . ATOM C CA THR * 110 . 5.512 75.100 37.665 1.00 25.14 . 1 833 110 . ATOM C C THR * 110 . 4.506 75.056 38.812 1.00 23.09 . 1 834 110 . ATOM O O THR * 110 . 4.171 76.076 39.415 1.00 21.17 . 1 835 110 . ATOM C CB THR * 110 . 6.892 75.167 38.228 1.00 25.55 . 1 836 110 . ATOM O OG1 THR * 110 . 7.757 75.757 37.243 1.00 26.79 . 1 837 110 . ATOM C CG2 THR * 110 . 7.378 73.786 38.531 1.00 28.72 . 1 838 111 . ATOM N N VAL * 111 . 3.980 73.873 39.070 1.00 22.60 . 1 839 111 . ATOM C CA VAL * 111 . 3.022 73.690 40.146 1.00 21.84 . 1 840 111 . ATOM C C VAL * 111 . 3.693 72.974 41.336 1.00 21.36 . 1 841 111 . ATOM O O VAL * 111 . 4.465 72.022 41.146 1.00 19.40 . 1 842 111 . ATOM C CB VAL * 111 . 1.859 72.853 39.663 1.00 20.95 . 1 843 111 . ATOM C CG1 VAL * 111 . 0.908 72.592 40.797 1.00 20.69 . 1 844 111 . ATOM C CG2 VAL * 111 . 1.153 73.572 38.544 1.00 18.25 . 1 845 112 . ATOM N N MET * 112 . 3.438 73.474 42.548 1.00 20.33 . 1 846 112 . ATOM C CA MET * 112 . 3.951 72.892 43.795 1.00 17.72 . 1 847 112 . ATOM C C MET * 112 . 2.775 72.512 44.684 1.00 16.70 . 1 848 112 . ATOM O O MET * 112 . 2.035 73.376 45.124 1.00 18.32 . 1 849 112 . ATOM C CB MET * 112 . 4.864 73.879 44.498 1.00 16.99 . 1 850 112 . ATOM C CG MET * 112 . 6.151 74.017 43.773 1.00 17.28 . 1 851 112 . ATOM S SD MET * 112 . 7.328 74.921 44.662 1.00 20.28 . 1 852 112 . ATOM C CE MET * 112 . 8.009 73.686 45.624 1.00 19.76 . 1 853 113 . ATOM N N VAL * 113 . 2.556 71.213 44.863 1.00 15.82 . 1 854 113 . ATOM C CA VAL * 113 . 1.465 70.687 45.680 1.00 16.21 . 1 855 113 . ATOM C C VAL * 113 . 2.027 70.259 47.038 1.00 18.28 . 1 856 113 . ATOM O O VAL * 113 . 2.895 69.392 47.106 1.00 17.92 . 1 857 113 . ATOM C CB VAL * 113 . 0.817 69.463 45.008 1.00 13.36 . 1 858 113 . ATOM C CG1 VAL * 113 . -0.371 69.000 45.781 1.00 10.13 . 1 859 113 . ATOM C CG2 VAL * 113 . 0.392 69.803 43.638 1.00 12.43 . 1 860 114 . ATOM N N TRP * 114 . 1.540 70.884 48.108 1.00 20.48 . 1 861 114 . ATOM C CA TRP * 114 . 1.972 70.610 49.487 1.00 18.29 . 1 862 114 . ATOM C C TRP * 114 . 1.097 69.573 50.175 1.00 18.13 . 1 863 114 . ATOM O O TRP * 114 . -0.116 69.740 50.222 1.00 18.16 . 1 864 114 . ATOM C CB TRP * 114 . 1.921 71.915 50.301 1.00 18.59 . 1 865 114 . ATOM C CG TRP * 114 . 2.187 71.747 51.780 1.00 17.85 . 1 866 114 . ATOM C CD1 TRP * 114 . 1.264 71.760 52.793 1.00 18.55 . 1 867 114 . ATOM C CD2 TRP * 114 . 3.446 71.482 52.394 1.00 15.20 . 1 868 114 . ATOM N NE1 TRP * 114 . 1.882 71.503 53.990 1.00 17.34 . 1 869 114 . ATOM C CE2 TRP * 114 . 3.219 71.329 53.768 1.00 15.58 . 1 870 114 . ATOM C CE3 TRP * 114 . 4.746 71.353 51.912 1.00 13.22 . 1 871 114 . ATOM C CZ2 TRP * 114 . 4.235 71.054 54.653 1.00 14.77 . 1 872 114 . ATOM C CZ3 TRP * 114 . 5.750 71.084 52.794 1.00 14.51 . 1 873 114 . ATOM C CH2 TRP * 114 . 5.493 70.936 54.149 1.00 14.62 . 1 874 115 . ATOM N N ILE * 115 . 1.707 68.497 50.675 1.00 18.20 . 1 875 115 . ATOM C CA ILE * 115 . 0.994 67.454 51.415 1.00 18.26 . 1 876 115 . ATOM C C ILE * 115 . 1.446 67.617 52.869 1.00 18.78 . 1 877 115 . ATOM O O ILE * 115 . 2.622 67.408 53.185 1.00 17.59 . 1 878 115 . ATOM C CB ILE * 115 . 1.376 66.051 50.939 1.00 16.78 . 1 879 115 . ATOM C CG1 ILE * 115 . 1.252 65.981 49.404 1.00 16.08 . 1 880 115 . ATOM C CG2 ILE * 115 . 0.489 65.052 51.632 1.00 13.55 . 1 881 115 . ATOM C CD1 ILE * 115 . 1.685 64.717 48.746 1.00 12.73 . 1 882 116 . ATOM N N TYR * 116 . 0.544 68.060 53.740 1.00 17.75 . 1 883 116 . ATOM C CA TYR * 116 . 0.899 68.284 55.144 1.00 15.65 . 1 884 116 . ATOM C C TYR * 116 . 1.299 67.052 55.909 1.00 17.78 . 1 885 116 . ATOM O O TYR * 116 . 0.917 65.943 55.549 1.00 19.32 . 1 886 116 . ATOM C CB TYR * 116 . -0.220 68.998 55.903 1.00 12.06 . 1 887 116 . ATOM C CG TYR * 116 . -1.572 68.321 55.921 1.00 7.98 . 1 888 116 . ATOM C CD1 TYR * 116 . -1.780 67.132 56.580 1.00 8.00 . 1 889 116 . ATOM C CD2 TYR * 116 . -2.654 68.902 55.305 1.00 7.49 . 1 890 116 . ATOM C CE1 TYR * 116 . -3.035 66.543 56.618 1.00 5.28 . 1 891 116 . ATOM C CE2 TYR * 116 . -3.901 68.318 55.342 1.00 6.54 . 1 892 116 . ATOM C CZ TYR * 116 . -4.082 67.149 55.991 1.00 6.46 . 1 893 116 . ATOM O OH TYR * 116 . -5.331 66.586 55.977 1.00 11.89 . 1 894 117 . ATOM N N GLY * 117 . 2.080 67.256 56.971 1.00 18.61 . 1 895 117 . ATOM C CA GLY * 117 . 2.494 66.157 57.827 1.00 15.83 . 1 896 117 . ATOM C C GLY * 117 . 1.554 65.989 59.012 1.00 14.18 . 1 897 117 . ATOM O O GLY * 117 . 0.457 66.545 59.032 1.00 11.17 . 1 898 118 . ATOM N N GLY * 118 . 1.992 65.197 59.989 1.00 15.54 . 1 899 118 . ATOM C CA GLY * 118 . 1.207 64.949 61.190 1.00 14.32 . 1 900 118 . ATOM C C GLY * 118 . 1.071 63.503 61.640 1.00 14.61 . 1 901 118 . ATOM O O GLY * 118 . 0.058 63.128 62.192 1.00 16.57 . 1 902 119 . ATOM N N GLY * 119 . 2.058 62.670 61.372 1.00 14.38 . 1 903 119 . ATOM C CA GLY * 119 . 1.977 61.283 61.782 1.00 14.68 . 1 904 119 . ATOM C C GLY * 119 . 0.781 60.541 61.236 1.00 16.41 . 1 905 119 . ATOM O O GLY * 119 . 0.437 59.459 61.716 1.00 17.36 . 1 906 120 . ATOM N N PHE * 120 . 0.144 61.107 60.217 1.00 17.83 . 1 907 120 . ATOM C CA PHE * 120 . -1.031 60.505 59.614 1.00 16.26 . 1 908 120 . ATOM C C PHE * 120 . -2.229 60.548 60.561 1.00 16.56 . 1 909 120 . ATOM O O PHE * 120 . -3.324 60.147 60.179 1.00 16.84 . 1 910 120 . ATOM C CB PHE * 120 . -0.760 59.069 59.169 1.00 15.84 . 1 911 120 . ATOM C CG PHE * 120 . 0.162 58.946 57.987 1.00 16.55 . 1 912 120 . ATOM C CD1 PHE * 120 . -0.195 59.449 56.751 1.00 16.46 . 1 913 120 . ATOM C CD2 PHE * 120 . 1.353 58.261 58.097 1.00 17.08 . 1 914 120 . ATOM C CE1 PHE * 120 . 0.622 59.264 55.649 1.00 16.51 . 1 915 120 . ATOM C CE2 PHE * 120 . 2.166 58.078 56.993 1.00 18.14 . 1 916 120 . ATOM C CZ PHE * 120 . 1.789 58.585 55.766 1.00 15.33 . 1 917 121 . ATOM N N TYR * 121 . -2.030 61.004 61.798 1.00 14.88 . 1 918 121 . ATOM C CA TYR * 121 . -3.149 61.136 62.746 1.00 13.81 . 1 919 121 . ATOM C C TYR * 121 . -3.666 62.575 62.787 1.00 13.68 . 1 920 121 . ATOM O O TYR * 121 . -4.712 62.828 63.374 1.00 13.59 . 1 921 121 . ATOM C CB TYR * 121 . -2.792 60.675 64.178 1.00 11.87 . 1 922 121 . ATOM C CG TYR * 121 . -1.837 61.567 64.922 1.00 8.99 . 1 923 121 . ATOM C CD1 TYR * 121 . -2.283 62.680 65.626 1.00 10.09 . 1 924 121 . ATOM C CD2 TYR * 121 . -0.479 61.326 64.879 1.00 9.44 . 1 925 121 . ATOM C CE1 TYR * 121 . -1.383 63.532 66.260 1.00 10.62 . 1 926 121 . ATOM C CE2 TYR * 121 . 0.413 62.161 65.499 1.00 11.89 . 1 927 121 . ATOM C CZ TYR * 121 . -0.040 63.258 66.186 1.00 12.22 . 1 928 121 . ATOM O OH TYR * 121 . 0.897 64.071 66.783 1.00 18.45 . 1 929 122 . ATOM N N SER * 122 . -2.934 63.514 62.189 1.00 11.65 . 1 930 122 . ATOM C CA SER * 122 . -3.368 64.907 62.187 1.00 13.84 . 1 931 122 . ATOM C C SER * 122 . -2.859 65.709 60.984 1.00 13.62 . 1 932 122 . ATOM O O SER * 122 . -2.179 65.184 60.117 1.00 12.58 . 1 933 122 . ATOM C CB SER * 122 . -2.926 65.599 63.489 1.00 14.95 . 1 934 122 . ATOM O OG SER * 122 . -1.510 65.653 63.608 1.00 12.87 . 1 935 123 . ATOM N N GLY * 123 . -3.219 66.979 60.934 1.00 13.70 . 1 936 123 . ATOM C CA GLY * 123 . -2.765 67.827 59.860 1.00 14.31 . 1 937 123 . ATOM C C GLY * 123 . -3.876 68.732 59.400 1.00 15.93 . 1 938 123 . ATOM O O GLY * 123 . -5.053 68.395 59.503 1.00 17.42 . 1 939 124 . ATOM N N SER * 124 . -3.505 69.880 58.868 1.00 16.38 . 1 940 124 . ATOM C CA SER * 124 . -4.458 70.847 58.375 1.00 17.92 . 1 941 124 . ATOM C C SER * 124 . -3.766 71.581 57.252 1.00 20.01 . 1 942 124 . ATOM O O SER * 124 . -2.595 71.931 57.363 1.00 19.67 . 1 943 124 . ATOM C CB SER * 124 . -4.778 71.853 59.463 1.00 18.94 . 1 944 124 . ATOM O OG SER * 124 . -5.371 71.193 60.543 1.00 23.17 . 1 945 125 . ATOM N N SER * 125 . -4.469 71.817 56.159 1.00 20.86 . 1 946 125 . ATOM C CA SER * 125 . -3.845 72.524 55.062 1.00 21.69 . 1 947 125 . ATOM C C SER * 125 . -4.040 73.998 55.311 1.00 21.73 . 1 948 125 . ATOM O O SER * 125 . -3.624 74.822 54.522 1.00 22.11 . 1 949 125 . ATOM C CB SER * 125 . -4.551 72.160 53.775 1.00 22.03 . 1 950 125 . ATOM O OG SER * 125 . -5.844 72.724 53.783 1.00 22.01 . 1 951 126 . ATOM N N THR * 126 . -4.682 74.329 56.420 1.00 21.91 . 1 952 126 . ATOM C CA THR * 126 . -4.989 75.710 56.714 1.00 20.42 . 1 953 126 . ATOM C C THR * 126 . -4.090 76.388 57.733 1.00 20.83 . 1 954 126 . ATOM O O THR * 126 . -4.254 77.575 58.026 1.00 21.79 . 1 955 126 . ATOM C CB THR * 126 . -6.495 75.820 57.087 1.00 20.06 . 1 956 126 . ATOM O OG1 THR * 126 . -6.843 74.797 58.027 1.00 20.49 . 1 957 126 . ATOM C CG2 THR * 126 . -7.356 75.542 55.856 1.00 19.82 . 1 958 127 . ATOM N N LEU * 127 . -3.084 75.678 58.229 1.00 21.18 . 1 959 127 . ATOM C CA LEU * 127 . -2.215 76.266 59.234 1.00 21.24 . 1 960 127 . ATOM C C LEU * 127 . -1.611 77.512 58.651 1.00 23.40 . 1 961 127 . ATOM O O LEU * 127 . -1.562 77.667 57.433 1.00 25.87 . 1 962 127 . ATOM C CB LEU * 127 . -1.100 75.320 59.643 1.00 18.29 . 1 963 127 . ATOM C CG LEU * 127 . -1.479 73.921 60.088 1.00 19.18 . 1 964 127 . ATOM C CD1 LEU * 127 . -0.287 73.296 60.794 1.00 17.02 . 1 965 127 . ATOM C CD2 LEU * 127 . -2.713 73.972 60.973 1.00 16.85 . 1 966 128 . ATOM N N ASP * 128 . -1.089 78.377 59.505 1.00 24.09 . 1 967 128 . ATOM C CA ASP * 128 . -0.511 79.596 59.020 1.00 24.42 . 1 968 128 . ATOM C C ASP * 128 . 0.826 79.342 58.376 1.00 23.78 . 1 969 128 . ATOM O O ASP * 128 . 1.197 80.054 57.455 1.00 24.07 . 1 970 128 . ATOM C CB ASP * 128 . -0.389 80.612 60.151 1.00 27.75 . 1 971 128 . ATOM C CG ASP * 128 . -1.743 81.076 60.663 1.00 31.88 . 1 972 128 . ATOM O OD1 ASP * 128 . -2.628 81.465 59.849 1.00 33.80 . 1 973 128 . ATOM O OD2 ASP * 128 . -1.938 81.050 61.900 1.00 37.49 . 1 974 129 . ATOM N N VAL * 129 . 1.584 78.378 58.887 1.00 23.19 . 1 975 129 . ATOM C CA VAL * 129 . 2.889 78.098 58.294 1.00 22.69 . 1 976 129 . ATOM C C VAL * 129 . 2.796 77.473 56.922 1.00 23.34 . 1 977 129 . ATOM O O VAL * 129 . 3.816 77.341 56.263 1.00 23.09 . 1 978 129 . ATOM C CB VAL * 129 . 3.747 77.139 59.123 1.00 20.85 . 1 979 129 . ATOM C CG1 VAL * 129 . 4.525 77.892 60.118 1.00 19.90 . 1 980 129 . ATOM C CG2 VAL * 129 . 2.889 76.075 59.749 1.00 17.67 . 1 981 130 . ATOM N N TYR * 130 . 1.611 76.975 56.551 1.00 23.90 . 1 982 130 . ATOM C CA TYR * 130 . 1.410 76.348 55.237 1.00 24.26 . 1 983 130 . ATOM C C TYR * 130 . 0.817 77.359 54.274 1.00 26.05 . 1 984 130 . ATOM O O TYR * 130 . 0.312 76.993 53.227 1.00 28.68 . 1 985 130 . ATOM C CB TYR * 130 . 0.477 75.135 55.321 1.00 17.53 . 1 986 130 . ATOM C CG TYR * 130 . 0.978 74.014 56.201 1.00 14.34 . 1 987 130 . ATOM C CD1 TYR * 130 . 2.332 73.855 56.477 1.00 14.12 . 1 988 130 . ATOM C CD2 TYR * 130 . 0.092 73.110 56.765 1.00 14.18 . 1 989 130 . ATOM C CE1 TYR * 130 . 2.784 72.828 57.280 1.00 12.06 . 1 990 130 . ATOM C CE2 TYR * 130 . 0.537 72.093 57.565 1.00 12.59 . 1 991 130 . ATOM C CZ TYR * 130 . 1.880 71.953 57.812 1.00 12.72 . 1 992 130 . ATOM O OH TYR * 130 . 2.313 70.883 58.541 1.00 15.64 . 1 993 131 . ATOM N N ASN * 131 . 0.905 78.635 54.620 1.00 28.17 . 1 994 131 . ATOM C CA ASN * 131 . 0.350 79.710 53.811 1.00 27.63 . 1 995 131 . ATOM C C ASN * 131 . 1.208 79.889 52.574 1.00 27.69 . 1 996 131 . ATOM O O ASN * 131 . 2.220 80.585 52.615 1.00 27.08 . 1 997 131 . ATOM C CB ASN * 131 . 0.359 80.952 54.671 1.00 29.02 . 1 998 131 . ATOM C CG ASN * 131 . -0.205 82.135 53.988 1.00 31.05 . 1 999 131 . ATOM O OD1 ASN * 131 . -1.401 82.238 53.743 1.00 31.08 . 1 1000 131 . ATOM N ND2 ASN * 131 . 0.653 83.086 53.720 1.00 35.09 . 1 1001 132 . ATOM N N GLY * 132 . 0.775 79.288 51.465 1.00 28.28 . 1 1002 132 . ATOM C CA GLY * 132 . 1.523 79.341 50.205 1.00 28.06 . 1 1003 132 . ATOM C C GLY * 132 . 1.661 80.607 49.359 1.00 27.77 . 1 1004 132 . ATOM O O GLY * 132 . 2.222 80.554 48.252 1.00 27.83 . 1 1005 133 . ATOM N N LYS * 133 . 1.226 81.751 49.866 1.00 26.60 . 1 1006 133 . ATOM C CA LYS * 133 . 1.294 82.983 49.106 1.00 25.35 . 1 1007 133 . ATOM C C LYS * 133 . 2.653 83.606 48.954 1.00 25.28 . 1 1008 133 . ATOM O O LYS * 133 . 2.897 84.296 47.974 1.00 28.18 . 1 1009 133 . ATOM C CB LYS * 133 . 0.357 84.024 49.688 1.00 25.93 . 1 1010 133 . ATOM C CG LYS * 133 . 0.816 84.626 50.999 1.00 27.68 . 1 1011 133 . ATOM C CD LYS * 133 . -0.290 85.501 51.568 1.00 26.26 . 1 1012 133 . ATOM C CE LYS * 133 . 0.249 86.501 52.538 1.00 25.21 . 1 1013 133 . ATOM N NZ LYS * 133 . -0.884 87.376 52.981 1.00 26.73 . 1 1014 134 . ATOM N N TYR * 134 . 3.549 83.397 49.903 1.00 23.60 . 1 1015 134 . ATOM C CA TYR * 134 . 4.848 84.020 49.790 1.00 22.59 . 1 1016 134 . ATOM C C TYR * 134 . 5.644 83.239 48.808 1.00 21.76 . 1 1017 134 . ATOM O O TYR * 134 . 6.493 83.799 48.140 1.00 23.79 . 1 1018 134 . ATOM C CB TYR * 134 . 5.572 84.060 51.134 1.00 23.86 . 1 1019 134 . ATOM C CG TYR * 134 . 4.749 84.638 52.259 1.00 25.50 . 1 1020 134 . ATOM C CD1 TYR * 134 . 3.928 83.822 53.030 1.00 27.29 . 1 1021 134 . ATOM C CD2 TYR * 134 . 4.752 85.992 52.524 1.00 24.83 . 1 1022 134 . ATOM C CE1 TYR * 134 . 3.123 84.349 54.039 1.00 27.13 . 1 1023 134 . ATOM C CE2 TYR * 134 . 3.954 86.526 53.525 1.00 26.60 . 1 1024 134 . ATOM C CZ TYR * 134 . 3.141 85.697 54.277 1.00 28.36 . 1 1025 134 . ATOM O OH TYR * 134 . 2.327 86.217 55.279 1.00 31.42 . 1 1026 135 . ATOM N N LEU * 135 . 5.413 81.934 48.735 1.00 21.69 . 1 1027 135 . ATOM C CA LEU * 135 . 6.150 81.082 47.796 1.00 21.72 . 1 1028 135 . ATOM C C LEU * 135 . 5.581 81.342 46.411 1.00 23.64 . 1 1029 135 . ATOM O O LEU * 135 . 6.327 81.624 45.458 1.00 24.18 . 1 1030 135 . ATOM C CB LEU * 135 . 5.978 79.621 48.169 1.00 19.60 . 1 1031 135 . ATOM C CG LEU * 135 . 6.952 78.599 47.618 1.00 17.48 . 1 1032 135 . ATOM C CD1 LEU * 135 . 8.338 79.189 47.573 1.00 15.47 . 1 1033 135 . ATOM C CD2 LEU * 135 . 6.898 77.368 48.500 1.00 13.28 . 1 1034 136 . ATOM N N ALA * 136 . 4.256 81.312 46.307 1.00 23.10 . 1 1035 136 . ATOM C CA ALA * 136 . 3.604 81.584 45.037 1.00 24.02 . 1 1036 136 . ATOM C C ALA * 136 . 4.129 82.916 44.529 1.00 26.75 . 1 1037 136 . ATOM O O ALA * 136 . 4.774 83.003 43.470 1.00 27.25 . 1 1038 136 . ATOM C CB ALA * 136 . 2.113 81.673 45.229 1.00 23.03 . 1 1039 137 . ATOM N N TYR * 137 . 3.874 83.955 45.312 1.00 27.42 . 1 1040 137 . ATOM C CA TYR * 137 . 4.290 85.299 44.962 1.00 27.51 . 1 1041 137 . ATOM C C TYR * 137 . 5.769 85.386 44.689 1.00 26.89 . 1 1042 137 . ATOM O O TYR * 137 . 6.183 85.696 43.587 1.00 29.17 . 1 1043 137 . ATOM C CB TYR * 137 . 3.918 86.273 46.080 1.00 28.46 . 1 1044 137 . ATOM C CG TYR * 137 . 4.443 87.658 45.855 1.00 31.64 . 1 1045 137 . ATOM C CD1 TYR * 137 . 5.733 88.010 46.243 1.00 32.99 . 1 1046 137 . ATOM C CD2 TYR * 137 . 3.675 88.612 45.202 1.00 33.58 . 1 1047 137 . ATOM C CE1 TYR * 137 . 6.248 89.276 45.980 1.00 36.06 . 1 1048 137 . ATOM C CE2 TYR * 137 . 4.186 89.896 44.925 1.00 35.89 . 1 1049 137 . ATOM C CZ TYR * 137 . 5.472 90.215 45.316 1.00 37.01 . 1 1050 137 . ATOM O OH TYR * 137 . 5.994 91.466 45.000 1.00 40.33 . 1 1051 138 . ATOM N N THR * 138 . 6.574 85.099 45.697 1.00 26.29 . 1 1052 138 . ATOM C CA THR * 138 . 8.025 85.187 45.572 1.00 24.14 . 1 1053 138 . ATOM C C THR * 138 . 8.619 84.389 44.431 1.00 23.62 . 1 1054 138 . ATOM O O THR * 138 . 9.448 84.916 43.707 1.00 24.98 . 1 1055 138 . ATOM C CB THR * 138 . 8.714 84.851 46.926 1.00 21.07 . 1 1056 138 . ATOM O OG1 THR * 138 . 8.289 85.806 47.898 1.00 22.39 . 1 1057 138 . ATOM C CG2 THR * 138 . 10.188 84.957 46.846 1.00 20.82 . 1 1058 139 . ATOM N N GLU * 139 . 8.166 83.155 44.218 1.00 24.48 . 1 1059 139 . ATOM C CA GLU * 139 . 8.740 82.307 43.167 1.00 24.38 . 1 1060 139 . ATOM C C GLU * 139 . 7.892 82.082 41.913 1.00 24.89 . 1 1061 139 . ATOM O O GLU * 139 . 8.250 81.273 41.058 1.00 25.94 . 1 1062 139 . ATOM C CB GLU * 139 . 9.155 80.946 43.730 1.00 23.31 . 1 1063 139 . ATOM C CG GLU * 139 . 10.215 80.953 44.795 1.00 22.12 . 1 1064 139 . ATOM C CD GLU * 139 . 11.508 81